A0A5K4FDR2_SCHMA Loading...

TPR_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,565 aa.

>A0A5K4FDR2_SCHMA|A0A5K4FDR2
MDETQVGTFPSKSKQHNDNLTSTVLTHRIQANLNVLKCKLGLDLVNKSRLYQDKKDDFAFNESKPFVLKFIEQKNKLFRSQVNLEKINDAHINTMSQDGNFSIEKRRSLPKLKHTDHSLAIIPKTGTVNKLPTDYQVKQRKQLKYQANYPNTNSNLLKVDKTKKLPNLIKLDPIEEIVVSDYQDGDFTTTGIQGQNKFDYSLIKNTTNKNTMKKKDPTNSISEKVPVACSNTTKKCCTYGIREPIEPWFPLDSLFIKSNKMNQKVTPHLRLNRSKSCDTKYVNNFKLPFKSESRLYHSSPNLMNQSSGDLVINQNFSSLLNELTQQRKLILDMEDQTASNLEENISPGYCTLSEDNKILTIIHSNDDGLVHPSNHVNDLETSYHIKSVNMVGNHGNKIDQYLNNQPISIKQFIHLNSSDLLLLLLSPKINNDKNHLQIDWNKIIQKLPKNIESILEYFGSTKQDQFMNIKLVINEIENLTQEINRNSSTRLGFDLCRRGALYRKIGRLQDAKADLLRSIQLESKLSSAHWNIHFIYLLEGKTKEALYHLEQSFIYSILNDSIMEMKIWTKLIDYNPTYELAYEKRANLYLKLKMYHQAYTDFMKILNLNPKSFNAQFQCGLYKFHMKDWRKAVTYFQMVLVHNPSHYEARYYLARCLLKLFNYNKALAELTTSLYYQPIYYKALFTRGCLLTKACPLQSLRDLTLCIYIGNKKYQTMALIQRGLILYQLKKYKMALNDFQTVLTYNVDHLYTDVYRLIGLTYIQLNQPNRAIEVYTEGINKQIIPNINILLCRSEAYYQLNQFNKAIFDIQRVIHLSPHLENHYLLFANYLHKLANTQLVQHSIQQYLSLAESEKHKQVEQMALAYYYLNRYKEAEIVLLEDLKHQPVFNKTLLLGLILDKQNKTKDSIELLINSLKQLRCTKSEKAEIYNHLGQYYMKIGNYLSAIHAFTTFIQYNPHRPHVYLYRAQSACRLIALQHQGETILPDNFNDNVLDDISQALVLIHSNKSSVNPIHFNGPIKYVNIIDQCLLTRIIYFGINQRYTKAILNCNEVIHRRPEWTRIWIYRGVFKYLLKTYDFCEADLNIAIEKDQRSSLAYYHRGLCHQIYNKWDEAIEDYHYAIQYGTLYGSIQLYSFINRSIIYMEKYQDYHKAINDLYQAKMIMDKFMNSTHDNENNETTKVISELLIKLMYTIGICHQRLEMYTKAGQILHHLTIQQPNFLKGHIAYANCLMDYEGYNIKMGINHSMKLWNQALSVYEFALKMDELNLEASIGLSMCLQVLGRLNDALKQITHTLNIYYDYQESNSNEFIGKKQTSSSEDHNRLLADAYDCRAIIYLQLGRPQCAIDDLTTAIRLNHYSAKYLVNRGVAYFRNHQLMPAMIDFKNAIQLDSTNHLAYYHQSLIYLHHGQIEQSETIINILLNYNNQSICLDPSSWLLRSIIRLIKYQSKNSDHHDDDDEDQLLKEALNDIHQAEQLILPKLNDHLTCWPHLHYTKGQILYQLKKYKEAEEEFTKALSLLPSNKYFYEIRCKCREEMYRTGLSNSYENVLTDYRLSLLANDVTIQ
Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M33.6Very low29.3Very low226 Ų226126.4 Ų126.4100%1.11371%0.707SS**  079.10-60.6-169.1-159.600108.5
2D27.9Very low29.2Very low138 Ų138131.6 Ų131.674%0.73872%0.716SS**  79.190.8112.4-40.6-15.4000119.9
3E28.4Very low29.1Very low146 Ų146127.5 Ų127.568%0.68270%0.704SS**  78.9107.6109.3-71.3-159.7146.900123.6K14E3-K14 VanDerWaalsContact O-O 3.11Å
4T31.1Very low29.3Very low56 Ų56128.5 Ų128.534%0.34470%0.697SS.*  80.9126118.164.90000125.3K14T4-K14 PolarHBondContact OG1-O 3.15Å
5Q33.3Very low29.5Very low147 Ų147127.8 Ų127.869%0.68769%0.687SS**  42.1119121.1-48.2168.914.900120.9
6V27.2Very low29.7Very low127 Ų127129.1 Ų129.177%0.7769%0.688SS**  -146.8136.1120.6-171.30000106.9
7G26.9Very low29.7Very low60 Ų60128.3 Ų128.362%0.61968%0.683SS**  cis-154-164.2-8.400000108.3
8T30Very low29.7Very low118 Ų118128.2 Ų128.272%0.72468%0.683SS**SBendcis-156.6145.91048.60000107.5
9F27.5Very low29.8Very low171 Ų171128.8 Ų128.875%0.7569%0.686SS**SBendcis-166.2167-8-103.4-55.2000105.4
10P29.9Very low29.6Very low118 Ų118130.2 Ų130.277%0.76669%0.693SS**SBendcis-117.6178.4-16.641.1-26000111
11S26.5Very low29.5Very low83 Ų83130.2 Ų130.258%0.5870%0.698SS**  cis-155.9128.422.757.50000114.8
12K28.4Very low29.3Very low189 Ų189122.9 Ų122.982%0.82267%0.669SS**  trans65.8133.3150.6-54.7165.7-175.6177.80117.4
13S28.3Very low29.5Very low79 Ų79121.9 Ų121.955%0.55267%0.668SS**  cis-175.7140.5-5.748.30000114.3
14K31.6Very low29.8Very low141 Ų141120.9 Ų120.961%0.61367%0.672SS**  trans90.9159.9162.4-59.7-162174-179.60118.2E3 T4E3-K14 VanDerWaalsContact O-O 3.11Å; T4-K14 PolarHBondContact OG1-O 3.15Å
15Q32.1Very low29.9Very low118 Ų118123.2 Ų123.255%0.55168%0.681SS**  cis-178.6135.6-46.7-113.6175.9-71.300113.5
16H32.4Very low29.9Very low149 Ų149119.5 Ų119.569%0.6967%0.669SS**  trans63.9148.1158.7-60.7-60.6000119.7
17N30.1Very low30.2Very low115 Ų115121.2 Ų121.262%0.61567%0.668SS**  cis-159.8161.9-6.9-125.833.9000114.2
18D30.4Very low30.6Very low127 Ų127127.4 Ų127.468%0.67967%0.673SS**  trans75.6135.8147.7-57.3-31.4000126.6
19N30.4Very low30.8Very low139 Ų139126 Ų12674%0.74366%0.66SS**  trans78.587.7150.2-65-27.4000123.8
20L26.5Very low31.2Very low156 Ų156123.2 Ų123.282%0.81765%0.65SS**  35.2138.8120.9-74.1158.5000122.3
21T27.5Very low31.4Very low131 Ų131120.2 Ų120.280%0.80463%0.634SS**  trans77.4121.1173.275.50000116.9
22S28.9Very low31.8Very low72 Ų72121 Ų12150%0.50363%0.632SS.*  trans156-16.4155.251.40000115.1V24 L25 T26S22-V24 VanDerWaalsContact C-N 3.29Å; S22-V24 PolarHBondContact O-N 2.99Å; S22-L25 WeakPolarHBondContact O-CB 3.34Å; S22-L25 PolarHBondContact O-N 3.23Å; S22-T26 PolarHBondContact O-N 3.03Å
23T31.5Very low32Very low117 Ų117115.3 Ų115.372%0.71861%0.611SS**Hα-helixtrans-66.5-12.7-162.845.50000117.6T26T23-T26 PolarHBondContact O-OG1 3.07Å
24V35.3Very low32.3Very low125 Ų125115.9 Ų115.976%0.75861%0.607SS**Hα-helixtrans-85.7-21.2170.4178.70000111.9S22S22-V24 VanDerWaalsContact C-N 3.29Å; S22-V24 PolarHBondContact O-N 2.99Å
25L33.9Very low32.6Very low105 Ų105113.3 Ų113.355%0.5560%0.603SS.*Hα-helixtrans-83.4-30.8177.1-81.4160.1000112.5S22 H27 R28 I29S22-L25 WeakPolarHBondContact O-CB 3.34Å; S22-L25 PolarHBondContact O-N 3.23Å; L25-H27 PolarHBondContact O-N 3.11Å; L25-R28 PolarHBondContact O-N 2.77Å; L25-I29 HydrophobicContact CB-CD1 3.96Å; L25-I29 HydrophobicContact CD2-CD1 4.46Å; L25-I29 VanDerWaalsContact O-CB 3.32Å; L25-I29 WeakPolarHBondContact O-CB 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.48Å; L25-I29 PolarHBondContact O-N 3.11Å
26T32.6Very low32.6Very low70 Ų70112 Ų11243%0.42960%0.599SS.*Hα-helixtrans-60.3-43.4-174.651.50000113.5S22 T23 I29 Q30S22-T26 PolarHBondContact O-N 3.03Å; T23-T26 PolarHBondContact O-OG1 3.07Å; T26-I29 PolarHBondContact O-N 3.41Å; T26-Q30 VanDerWaalsContact O-CB 3.29Å; T26-Q30 WeakPolarHBondContact O-CB 3.29Å; T26-Q30 PolarHBondContact O-N 2.86Å
27H34.2Very low32.5Very low163 Ų163111.3 Ų111.376%0.75560%0.595SS**Hα-helixtrans-68.2-35.7176.7-92-87.3000113.5L25 A31L25-H27 PolarHBondContact O-N 3.11Å; H27-A31 WeakPolarHBondContact O-CB 3.4Å; H27-A31 PolarHBondContact O-N 3.3Å; H27-A31 VanDerWaalsContact O-N 3.09Å
28R35.2Very low32.7Very low189 Ų189110.7 Ų110.771%0.71360%0.598SS**Hα-helixtrans-71-38.5173.6-85.4-178.6166.6171.7-3.4112.2L25 N32L25-R28 PolarHBondContact O-N 2.77Å; R28-N32 WeakPolarHBondContact O-CB 3.47Å; R28-N32 VanDerWaalsContact O-CG 3.32Å; R28-N32 PolarHBondContact O-N 3.38Å
29I34.6Very low32.9Very low89 Ų89112.1 Ų112.146%0.45660%0.598SS.*Hα-helixtrans-68.7-40.9176.3-71.3172.2000110.5L25 T26 N32 L33L25-I29 HydrophobicContact CB-CD1 3.96Å; L25-I29 HydrophobicContact CD2-CD1 4.46Å; L25-I29 VanDerWaalsContact O-CB 3.32Å; L25-I29 WeakPolarHBondContact O-CB 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.29Å; L25-I29 WeakPolarHBondContact O-CG1 3.48Å; L25-I29 PolarHBondContact O-N 3.11Å; T26-I29 PolarHBondContact O-N 3.41Å; I29-N32 CarbonylContact O-C 3.6Å; I29-N32 PolarHBondContact O-N 3.13Å; I29-L33 HydrophobicContact CG2-CD1 4.04Å; I29-L33 VanDerWaalsContact O-CB 3.28Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 PolarHBondContact O-N 3.38Å
30Q33.9Very low33Very low113 Ų113110.7 Ų110.753%0.52859%0.59SS.*Hα-helixtrans-66.8-39.5177-16076.6-14.800112T26 L33 N34T26-Q30 VanDerWaalsContact O-CB 3.29Å; T26-Q30 WeakPolarHBondContact O-CB 3.29Å; T26-Q30 PolarHBondContact O-N 2.86Å; Q30-L33 PolarHBondContact O-N 3.06Å; Q30-N34 PolarHBondContact O-N 3.35Å
31A34.5Very low33.1Very low54 Ų54105.1 Ų105.145%0.44657%0.57SS.*Hα-helixtrans-61.7-48.317200000111.3H27 L33 N34 V35H27-A31 WeakPolarHBondContact O-CB 3.4Å; H27-A31 PolarHBondContact O-N 3.3Å; H27-A31 VanDerWaalsContact O-N 3.09Å; A31-L33 VanDerWaalsContact C-N 3.32Å; A31-L33 PolarHBondContact O-N 3.33Å; A31-N34 PolarHBondContact O-N 3.11Å; A31-V35 WeakPolarHBondContact O-CG2 3.2Å; A31-V35 PolarHBondContact O-N 3.42Å
32N35.6Very low33.3Very low99 Ų99104.6 Ų104.653%0.52956%0.562SS.*Hα-helixtrans-65.3-32175.9-73.7-10.1000112.7R28 I29 V35 L36R28-N32 WeakPolarHBondContact O-CB 3.47Å; R28-N32 VanDerWaalsContact O-CG 3.32Å; R28-N32 PolarHBondContact O-N 3.38Å; I29-N32 CarbonylContact O-C 3.6Å; I29-N32 PolarHBondContact O-N 3.13Å; N32-V35 PolarHBondContact O-N 2.8Å; N32-L36 VanDerWaalsContact O-CB 3.25Å; N32-L36 WeakPolarHBondContact O-CB 3.45Å; N32-L36 VanDerWaalsContact O-CG 3.26Å; N32-L36 WeakPolarHBondContact O-CG 3.4Å; N32-L36 PolarHBondContact O-N 2.98Å
33L32Very low33.5Very low71 Ų71106.5 Ų106.537%0.37257%0.566SS.*Hα-helixtrans-70.4-31.5174.7-105.9160.8000112.5I29 Q30 A31 K37I29-L33 HydrophobicContact CG2-CD1 4.04Å; I29-L33 VanDerWaalsContact O-CB 3.28Å; I29-L33 WeakPolarHBondContact O-CB 3.38Å; I29-L33 PolarHBondContact O-N 3.38Å; Q30-L33 PolarHBondContact O-N 3.06Å; A31-L33 VanDerWaalsContact C-N 3.32Å; A31-L33 PolarHBondContact O-N 3.33Å; L33-K37 VanDerWaalsContact O-CB 3.25Å; L33-K37 WeakPolarHBondContact O-CB 3.43Å; L33-K37 VanDerWaalsContact O-CG 3.22Å; L33-K37 WeakPolarHBondContact O-CG 3.5Å; L33-K37 PolarHBondContact O-N 2.82Å
34N35.4Very low33.5Very low90 Ų90107.2 Ų107.248%0.48157%0.565SS.*Hα-helixtrans-74.8-39.8171.8-74.6-10.8000111.2Q30 A31 L36 K37 C38Q30-N34 PolarHBondContact O-N 3.35Å; A31-N34 PolarHBondContact O-N 3.11Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.18Å; N34-K37 PolarHBondContact O-N 3.25Å; N34-C38 WeakPolarHBondContact O-CB 3.47Å; N34-C38 PolarHBondContact O-N 3.13Å; N34-C38 PolarHBondContact O-SG 3.31Å; N34-C38 VanDerWaalsContact O-SG 3.38Å
35V37.3Very low33.3Very low87 Ų87105.9 Ų105.953%0.52756%0.557SS.*Hα-helixtrans-62.2-37.9171173.40000111.7A31 N32 K39A31-V35 WeakPolarHBondContact O-CG2 3.2Å; A31-V35 PolarHBondContact O-N 3.42Å; N32-V35 PolarHBondContact O-N 2.8Å; V35-K39 PolarHBondContact O-N 2.72Å
36L32.9Very low33.1Very low90 Ų90106.6 Ų106.647%0.47156%0.561SS.*Hα-helixtrans-72.8-39.4174.4-77.7164.3000112.5N32 N34 C38 K39 L40N32-L36 VanDerWaalsContact O-CB 3.25Å; N32-L36 WeakPolarHBondContact O-CB 3.45Å; N32-L36 VanDerWaalsContact O-CG 3.26Å; N32-L36 WeakPolarHBondContact O-CG 3.4Å; N32-L36 PolarHBondContact O-N 2.98Å; N34-L36 VanDerWaalsContact C-N 3.31Å; N34-L36 PolarHBondContact O-N 3.18Å; L36-C38 VanDerWaalsContact C-N 3.31Å; L36-C38 PolarHBondContact O-N 3.37Å; L36-K39 CarbonylContact O-C 3.56Å; L36-K39 PolarHBondContact O-N 2.72Å; L36-L40 WeakPolarHBondContact O-CB 3.44Å; L36-L40 PolarHBondContact O-N 2.92Å
37K30.5Very low33Very low136 Ų136111.6 Ų111.659%0.59158%0.577SS**Hα-helixtrans-64.3-34.9173.2-80.5173.9176.9179.20112.1L33 N34 K39 G41L33-K37 VanDerWaalsContact O-CB 3.25Å; L33-K37 WeakPolarHBondContact O-CB 3.43Å; L33-K37 VanDerWaalsContact O-CG 3.22Å; L33-K37 WeakPolarHBondContact O-CG 3.5Å; L33-K37 PolarHBondContact O-N 2.82Å; N34-K37 PolarHBondContact O-N 3.25Å; K37-K39 VanDerWaalsContact C-N 3.26Å; K37-K39 PolarHBondContact O-N 2.85Å; K37-G41 WeakPolarHBondContact O-CA 3.39Å; K37-G41 PolarHBondContact O-N 3.4Å
38C33.5Very low32.8Very low101 Ų101108.1 Ų108.168%0.68257%0.571SS**Hα-helixtrans-71-16.9171.5-70.40000113.9N34 L36N34-C38 WeakPolarHBondContact O-CB 3.47Å; N34-C38 PolarHBondContact O-N 3.13Å; N34-C38 PolarHBondContact O-SG 3.31Å; N34-C38 VanDerWaalsContact O-SG 3.38Å; L36-C38 VanDerWaalsContact C-N 3.31Å; L36-C38 PolarHBondContact O-N 3.37Å
39K33.7Very low32.3Very low157 Ų157110.6 Ų110.668%0.68358%0.58SS**Hα-helixtrans-92.4-39.7170.7-74.9-170.2171.3-172.90113.3V35 L36 K37V35-K39 PolarHBondContact O-N 2.72Å; L36-K39 CarbonylContact O-C 3.56Å; L36-K39 PolarHBondContact O-N 2.72Å; K37-K39 VanDerWaalsContact C-N 3.26Å; K37-K39 PolarHBondContact O-N 2.85Å
40L32.5Very low31.9Very low110 Ų110112.2 Ų112.258%0.57659%0.589SS**Hα-helixtrans-82.1-15.3179.3-75.6155.4000113.7L36L36-L40 WeakPolarHBondContact O-CB 3.44Å; L36-L40 PolarHBondContact O-N 2.92Å
41G29.9Very low31.6Very low38 Ų38117 Ų11739%0.39260%0.604SS.*Hα-helixtrans-76-19.3-179.200000115.5K37K37-G41 WeakPolarHBondContact O-CA 3.39Å; K37-G41 PolarHBondContact O-N 3.4Å
42L31.1Very low31.3Very low121 Ų121123.1 Ų123.163%0.63462%0.623SS**Hα-helixtrans-89-31.5178.3-96.380.1000113.5L44 V45 N46L42-L44 PolarHBondContact O-N 2.89Å; L42-V45 PolarHBondContact O-N 3.27Å; L42-N46 PolarHBondContact O-N 3.39Å
43D32.3Very low30.8Very low111 Ų111124.3 Ų124.359%0.59463%0.63SS**Hα-helixtrans-66.5-25-179.9-73.5-26.6000113.2
44L31.4Very low30.6Very low133 Ų133128.9 Ų128.970%0.69665%0.647SS**THydrogen-bonded Turntrans-81.5-23.3176.7-79.1163.3000113.8L42L42-L44 PolarHBondContact O-N 2.89Å
45V31.2Very low30.2Very low97 Ų97132.2 Ų132.259%0.58866%0.657SS**THydrogen-bonded Turntrans-76.7-30.5175.2178.20000111.4L42L42-V45 PolarHBondContact O-N 3.27Å
46N30.4Very low29.9Very low119 Ų119133.5 Ų133.564%0.63666%0.661SS**THydrogen-bonded Turntrans-85.1-9.2-179.4-75.3-11.9000114.4L42L42-N46 PolarHBondContact O-N 3.39Å
47K31.3Very low29.8Very low175 Ų175135.6 Ų135.676%0.76167%0.673SS**THydrogen-bonded Turntrans-103.8-6.2175.8-82.5-179.6175.2173.20115.3
48S29.4Very low29.6Very low91 Ų91137.5 Ų137.564%0.63668%0.681SS**THydrogen-bonded Turntrans-104.131.1179.677.10000114.6
49R24.5Very low29.4Very low241 Ų241136.9 Ų136.991%0.90968%0.683SS**THydrogen-bonded Turntrans-129.426.8167.7-88.1-168.5173.3156.55113.5
50L25.5Very low28.9Very low123 Ų123138 Ų13864%0.64469%0.689SS**SBendtrans-107.9135.4167.2-77.9161.2000109.2
51Y27.7Very low28.6Very low212 Ų212138 Ų13883%0.83169%0.689SS**  trans76.3150.9170.7-64.3-75.9000121
52Q28.5Very low28.3Very low183 Ų183143.7 Ų143.786%0.85571%0.706SS**  trans76.5100.5-176.9-57.7-177.1-5.600114.3
53D26.5Very low28.1Very low124 Ų124143 Ų14366%0.66371%0.711SS**  cis70.2111.816.8-149.247000115.9
54K27.1Very low27.9Very low168 Ų168146.9 Ų146.973%0.7372%0.722SS**  trans87.2104.8162.4-66.4164.8-173.8153.40121.9
55K27.1Very low27.8Very low159 Ų159145.9 Ų145.969%0.69172%0.724SS**  108133.4110.4-85.2-174.1137.8-68.90121
56D30.2Very low27.6Very low114 Ų114148 Ų14861%0.6173%0.725SS**  trans59.6134.2147.3-43.5-17.3000117.9
57D30.8Very low27.6Very low135 Ų135147.4 Ų147.472%0.72273%0.726SS**  cis-154.7168.428.3-116.6-22.2000116
58F26.8Very low27.5Very low176 Ų176145.9 Ų145.977%0.77273%0.725SS**  trans3124.2170.2-63-90.8000122.7
59A28.7Very low27.5Very low88 Ų88149 Ų14973%0.72773%0.728SS**  170.7128.292.200000116.1
60F24.2Very low27.6Very low181 Ų181142.1 Ų142.179%0.79470%0.704SS**  trans19.2108.4142.4-73-110.8000119.4
61N25Very low27.9Very low110 Ų110140.9 Ų140.959%0.58870%0.697SS**  160.4131.973.5-105.817.8000116.4
62E25.5Very low27.9Very low157 Ų157137 Ų13773%0.73469%0.687SS**  trans64.7122132.6-61.8179.9127.600124.3
63S26.7Very low27.9Very low107 Ų107131.9 Ų131.975%0.74866%0.663SS**  trans82.1144.6145.884.10000119.3
64K27.2Very low27.9Very low191 Ų191131.3 Ų131.383%0.8366%0.655SS**  cis-151.7162.3-13.6-115162.3-170.3168.30109.3
65P28.7Very low28.1Very low113 Ų113128.8 Ų128.873%0.73465%0.649SS**  trans-99.4113.1-155.235.2-33.3000115.4
66F27.1Very low28.2Very low140 Ų140127.5 Ų127.561%0.61464%0.644SS**  trans-154.937.1-173-113.3-72000118.4F70F66-F70 HydrophobicContact CD1-CB 4.35Å; F66-F70 AromaticContact CD1-CD2 3.82Å; F66-F70 HydrophobicContact CD1-CD2 3.82Å; F66-F70 HydrophobicContact CD1-CE2 4.49Å; F66-F70 HydrophobicContact CD1-CG 4.39Å; F66-F70 HydrophobicContact CE1-CD2 4.08Å; F66-F70 WeakPolarHBondContact O-CB 3.33Å
67V30.3Very low28Very low107 Ų107126.5 Ų126.565%0.64864%0.637SS**SBendtrans-121.3-60.7179.8-173.20000115.5F70 I71V67-F70 CarbonylContact O-C 3.56Å; V67-F70 WeakPolarHBondContact O-CA 3.38Å; V67-F70 WeakPolarHBondContact O-CB 3.47Å; V67-F70 PolarHBondContact O-N 3.1Å; V67-I71 PolarHBondContact O-N 2.89Å
68L29.1Very low27.8Very low143 Ų143128.8 Ų128.875%0.74964%0.641SS**Hα-helixtrans-69.6-37.8-179.6-99163.6000112.4F70 I71 E72L68-F70 PolarHBondContact O-N 3.28Å; L68-I71 PolarHBondContact O-N 3.4Å; L68-E72 PolarHBondContact O-N 3.35Å
69K29.9Very low27.8Very low158 Ų158131.3 Ų131.369%0.68765%0.646SS**Hα-helixtrans-60.3-30164.8-126.5176-172175.70111.8Q73K69-Q73 WeakPolarHBondContact O-CA 3.23Å; K69-Q73 WeakPolarHBondContact O-CB 3.27Å; K69-Q73 WeakPolarHBondContact O-CG 3.47Å; K69-Q73 PolarHBondContact O-N 2.68Å; K69-Q73 PolarHBondContact O-OE1 3.23Å; K69-Q73 VanDerWaalsContact O-OE1 3.12Å
70F27.6Very low27.5Very low95 Ų95131.5 Ų131.542%0.41764%0.642SS.*Hα-helixtrans-84.1-17.3-176.8-164.8-109.5000115F66 V67 L68 K74F66-F70 HydrophobicContact CD1-CB 4.35Å; F66-F70 AromaticContact CD1-CD2 3.82Å; F66-F70 HydrophobicContact CD1-CD2 3.82Å; F66-F70 HydrophobicContact CD1-CE2 4.49Å; F66-F70 HydrophobicContact CD1-CG 4.39Å; F66-F70 HydrophobicContact CE1-CD2 4.08Å; F66-F70 WeakPolarHBondContact O-CB 3.33Å; V67-F70 CarbonylContact O-C 3.56Å; V67-F70 WeakPolarHBondContact O-CA 3.38Å; V67-F70 WeakPolarHBondContact O-CB 3.47Å; V67-F70 PolarHBondContact O-N 3.1Å; L68-F70 PolarHBondContact O-N 3.28Å; F70-K74 HydrophobicContact CD1-CD 4.44Å; F70-K74 HydrophobicContact CE1-CD 4.28Å; F70-K74 HydrophobicContact CE1-CG 4.49Å; F70-K74 WeakPolarHBondContact O-CB 3.36Å; F70-K74 VanDerWaalsContact O-CG 3.29Å; F70-K74 WeakPolarHBondContact O-CG 3.37Å; F70-K74 PolarHBondContact O-N 3.39Å
71I31.6Very low27.6Very low97 Ų97129.3 Ų129.350%0.49763%0.634SS.*Hα-helixtrans-84.9-42169.5-66.1178.2000110.2V67 L68 Q73 K74 N75V67-I71 PolarHBondContact O-N 2.89Å; L68-I71 PolarHBondContact O-N 3.4Å; I71-Q73 VanDerWaalsContact C-N 3.33Å; I71-K74 PolarHBondContact O-N 3.48Å; I71-N75 PolarHBondContact O-N 2.65Å
72E27Very low27.8Very low131 Ų131129.5 Ų129.561%0.61264%0.639SS**Hα-helixtrans-72.1-25.9171.6-63-161.1132.800112.9L68 K76L68-E72 PolarHBondContact O-N 3.35Å; E72-K76 WeakPolarHBondContact O-CB 3.31Å; E72-K76 WeakPolarHBondContact O-CD 3.48Å; E72-K76 VanDerWaalsContact O-CG 3.25Å; E72-K76 WeakPolarHBondContact O-CG 3.22Å; E72-K76 PolarHBondContact O-N 3.44Å
73Q28.5Very low28Very low75 Ų75128.8 Ų128.835%0.3564%0.64SS.*Hα-helixtrans-79.2-32.2165.6-73.9170.2-48.900112.1K69 I71 N75 K76 L77K69-Q73 WeakPolarHBondContact O-CA 3.23Å; K69-Q73 WeakPolarHBondContact O-CB 3.27Å; K69-Q73 WeakPolarHBondContact O-CG 3.47Å; K69-Q73 PolarHBondContact O-N 2.68Å; K69-Q73 PolarHBondContact O-OE1 3.23Å; K69-Q73 VanDerWaalsContact O-OE1 3.12Å; I71-Q73 VanDerWaalsContact C-N 3.33Å; Q73-N75 VanDerWaalsContact C-N 3.33Å; Q73-N75 PolarHBondContact O-N 2.88Å; Q73-K76 CarbonylContact O-C 3.54Å; Q73-K76 PolarHBondContact O-N 3.45Å; Q73-K76 VanDerWaalsContact O-N 3.16Å; Q73-L77 HydrophobicContact CB-CD1 3.88Å; Q73-L77 WeakPolarHBondContact O-CB 3.29Å; Q73-L77 WeakPolarHBondContact O-CD1 3.34Å; Q73-L77 PolarHBondContact O-N 2.9Å
74K27.9Very low27.8Very low113 Ų113129.5 Ų129.549%0.49164%0.635SS.*Hα-helixtrans-60.2-45.3170.4-95.6-177.4171.3-175.80111.1F70 I71 K76 F78F70-K74 HydrophobicContact CD1-CD 4.44Å; F70-K74 HydrophobicContact CE1-CD 4.28Å; F70-K74 HydrophobicContact CE1-CG 4.49Å; F70-K74 WeakPolarHBondContact O-CB 3.36Å; F70-K74 VanDerWaalsContact O-CG 3.29Å; F70-K74 WeakPolarHBondContact O-CG 3.37Å; F70-K74 PolarHBondContact O-N 3.39Å; I71-K74 PolarHBondContact O-N 3.48Å; K74-K76 PolarHBondContact O-N 2.67Å; K74-F78 WeakPolarHBondContact O-CB 3.41Å; K74-F78 PolarHBondContact O-N 3.09Å
75N30Very low27.7Very low115 Ų115129.8 Ų129.862%0.61564%0.639SS**Hα-helixtrans-76.5-2.6178.1-69.5-12.5000114.3I71 Q73I71-N75 PolarHBondContact O-N 2.65Å; Q73-N75 VanDerWaalsContact C-N 3.33Å; Q73-N75 PolarHBondContact O-N 2.88Å
76K28.9Very low27.9Very low132 Ų132131.6 Ų131.657%0.57464%0.635SS**Hα-helixtrans-108.7-33.1170.1-72.4172.7-179.8169.80113.2E72 Q73 K74 R79 S80E72-K76 WeakPolarHBondContact O-CB 3.31Å; E72-K76 WeakPolarHBondContact O-CD 3.48Å; E72-K76 VanDerWaalsContact O-CG 3.25Å; E72-K76 WeakPolarHBondContact O-CG 3.22Å; E72-K76 PolarHBondContact O-N 3.44Å; Q73-K76 CarbonylContact O-C 3.54Å; Q73-K76 PolarHBondContact O-N 3.45Å; Q73-K76 VanDerWaalsContact O-N 3.16Å; K74-K76 PolarHBondContact O-N 2.67Å; K76-R79 CarbonylContact O-C 3.57Å; K76-R79 PolarHBondContact O-N 3.1Å; K76-R79 VanDerWaalsContact O-N 3.09Å; K76-S80 PolarHBondContact O-N 2.65Å; K76-S80 PolarHBondContact O-OG 2.97Å
77L26.5Very low27.8Very low92 Ų92132 Ų13248%0.48264%0.642SS.*Hα-helixtrans-69-34170.3-90.887.1000111.9Q73 R79Q73-L77 HydrophobicContact CB-CD1 3.88Å; Q73-L77 WeakPolarHBondContact O-CB 3.29Å; Q73-L77 WeakPolarHBondContact O-CD1 3.34Å; Q73-L77 PolarHBondContact O-N 2.9Å; L77-R79 PolarHBondContact O-N 3.12Å
78F27.6Very low27.5Very low183 Ų183133.1 Ų133.180%0.80365%0.645SS**Hα-helixtrans-65.11.4168.6-100.4-78.3000114.2K74K74-F78 WeakPolarHBondContact O-CB 3.41Å; K74-F78 PolarHBondContact O-N 3.09Å
79R26.3Very low27.3Very low230 Ų230132.8 Ų132.887%0.86864%0.644SS**Hα-helixtrans-134.6-19.4-179.6-75.1-172.4168.5-179.8-3.7116.2K76 L77K76-R79 CarbonylContact O-C 3.57Å; K76-R79 PolarHBondContact O-N 3.1Å; K76-R79 VanDerWaalsContact O-N 3.09Å; L77-R79 PolarHBondContact O-N 3.12Å
80S22.3Very low27.1Very low91 Ų91129 Ų12964%0.63664%0.642SS**Hα-helixtrans-150.836.8-178.274.20000116.7K76K76-S80 PolarHBondContact O-N 2.65Å; K76-S80 PolarHBondContact O-OG 2.97Å
81Q26Very low27.1Very low136 Ų136132.9 Ų132.964%0.63666%0.661SS**  trans-125.5104.1145.4-87.8-176.4-49.600108.1
82V29.5Very low26.8Very low114 Ų114134.2 Ų134.269%0.69167%0.668SS**  79.692.681.11660000108
83N28.8Very low26.7Very low142 Ų142134.4 Ų134.476%0.75967%0.673SS**  52138.271.7-71.4-31000113.3
84L23.1Very low26.6Very low122 Ų122136.1 Ų136.164%0.63969%0.689SS**  trans82.157.8166.9-42.9-171.7000118.2K86L84-K86 HydrophobicContact CB-CB 4.31Å; L84-K86 HydrophobicContact CB-CD 4.24Å; L84-K86 HydrophobicContact CB-CG 4.43Å; L84-K86 HydrophobicContact CD1-CD 4.39Å; L84-K86 HydrophobicContact CD2-CD 3.87Å; L84-K86 HydrophobicContact CD2-CG 4.08Å; L84-K86 HydrophobicContact CG-CD 4.39Å
85E26.1Very low26.4Very low197 Ų197139 Ų13992%0.92171%0.707SS**  -110.5113.1117.7-69.3178.5170.800105.1
86K32.2Very low26.2Very low150 Ų150137.7 Ų137.765%0.65271%0.706SS**  cis60.7147.89.4-91.3-160.7-179.6-179.90115.8L84L84-K86 HydrophobicContact CB-CB 4.31Å; L84-K86 HydrophobicContact CB-CD 4.24Å; L84-K86 HydrophobicContact CB-CG 4.43Å; L84-K86 HydrophobicContact CD1-CD 4.39Å; L84-K86 HydrophobicContact CD2-CD 3.87Å; L84-K86 HydrophobicContact CD2-CG 4.08Å; L84-K86 HydrophobicContact CG-CD 4.39Å
87I24.4Very low26.3Very low149 Ų149139.5 Ų139.576%0.76472%0.716SS**  trans78.793.3-162.1-56.9162.2000107.8
88N23.8Very low26.6Very low131 Ų131143.1 Ų143.170%0.70174%0.736SS**  73.5131.484.1-67.321.4000110.1
89D26.1Very low26.8Very low136 Ų136137.1 Ų137.173%0.72773%0.726SS**  cis-133.8149.19.5-77.6-57.5000109.2
90A25.1Very low26.9Very low79 Ų79134 Ų13465%0.65373%0.727SS**  55.969.761.100000113.9
91H27.2Very low27Very low175 Ų175138.7 Ų138.781%0.8174%0.736SS**  trans-162.6138.2131.2-98.4-30.2000115.9
92I26.6Very low27.1Very low125 Ų125135.1 Ų135.164%0.64173%0.726SS**  trans65.2100.6136.1-64.5165.4000117.1
93N24.8Very low26.8Very low135 Ų135133 Ų13372%0.72271%0.71SS**  26.6132.1114.2-38.5-30.8000115.8
94T25Very low26.7Very low112 Ų112130.4 Ų130.469%0.68769%0.694SS**  -164.8155.462.435.70000111.8
95M24.5Very low27Very low174 Ų174134.6 Ų134.686%0.85771%0.707SS**  trans57.4141.4143.7-67.7167.2179.800120.1
96S25.9Very low27.2Very low86 Ų86134.2 Ų134.260%0.60170%0.697SS**  cis-169.8168.4-14.146.30000109.5
97Q31.3Very low26.9Very low170 Ų170134 Ų13479%0.79469%0.692SS**  trans76.2139.7166.1-67.1155-20.900116
98D32.6Very low26.9Very low168 Ų168131.1 Ų131.190%0.89869%0.685SS**SBendtrans55.374.3161.5-52.9-6.2000117.8
99G30.7Very low27.2Very low58 Ų58131.6 Ų131.660%0.59869%0.687SS**  cis155.9130.7-4.800000114.4
100N28.4Very low27.2Very low163 Ų163130.8 Ų130.887%0.87269%0.689SS**  trans48.389155.2-50.5-25.3000116.8
101F23.9Very low27.3Very low191 Ų191135 Ų13584%0.83869%0.693SS**  cis67.184.229.6-105-85.9000116.8
102S28.3Very low27.3Very low60 Ų60134 Ų13442%0.4269%0.692SS.*  78.2179.1123.980.20000122.1R107S102-R107 VanDerWaalsContact O-CD 3.23Å; S102-R107 WeakPolarHBondContact O-CD 3.45Å; S102-R107 PolarHBondContact O-NH1 3.17Å
103I24.4Very low27.2Very low71 Ų71135.4 Ų135.436%0.36469%0.694SS.*  trans10797.7165.8-64169.9000117.7R107I103-R107 WeakPolarHBondContact O-CD 3.24Å; I103-R107 WeakPolarHBondContact O-CG 3.31Å; I103-R107 PolarHBondContact O-NE 3.29Å
104E25.7Very low27.5Very low87 Ų87136.3 Ų136.341%0.40769%0.694SS.*SBendtrans69117.7161.7-79.283.7-84.300120.9R106 R107E104-R106 IonicContact OE1-CZ 3.69Å; E104-R106 IonicContact OE1-NE 2.71Å; E104-R106 PolarHBondContact OE1-NE 2.86Å; E104-R106 IonicContact OE1-NH2 2.76Å; E104-R106 PolarHBondContact OE1-NH2 3.3Å; E104-R107 PolarHBondContact O-N 3.41Å; E104-R107 VanDerWaalsContact O-N 3.15Å
105K30.2Very low27.8Very low210 Ų210135.9 Ų135.991%0.91369%0.691SS**THydrogen-bonded Turncis-116.661.4-9.1-66.9-174.1179.8-178.40112.2
106R29.4Very low28Very low188 Ų188133.3 Ų133.371%0.70968%0.681SS**THydrogen-bonded Turncis-121.6111.8-0.7-71.5-160.7138.4150.8-5.8112.2E104E104-R106 IonicContact OE1-CZ 3.69Å; E104-R106 IonicContact OE1-NE 2.71Å; E104-R106 PolarHBondContact OE1-NE 2.86Å; E104-R106 IonicContact OE1-NH2 2.76Å; E104-R106 PolarHBondContact OE1-NH2 3.3Å
107R26.2Very low28.2Very low146 Ų146137.2 Ų137.255%0.55169%0.689SS**  trans15.9110.2175.5-97.6166.9-154.6157.618.8116.6S102 I103 E104S102-R107 VanDerWaalsContact O-CD 3.23Å; S102-R107 WeakPolarHBondContact O-CD 3.45Å; S102-R107 PolarHBondContact O-NH1 3.17Å; I103-R107 WeakPolarHBondContact O-CD 3.24Å; I103-R107 WeakPolarHBondContact O-CG 3.31Å; I103-R107 PolarHBondContact O-NE 3.29Å; E104-R107 PolarHBondContact O-N 3.41Å; E104-R107 VanDerWaalsContact O-N 3.15Å
108S24.4Very low28.1Very low89 Ų89133.6 Ų133.662%0.62268%0.682SS**  6112764.2980000113.1
109L31.2Very low28Very low140 Ų140133.9 Ų133.973%0.73368%0.683SS**  42.8121.296.8-68.9161.9000112.6K111L109-K111 HydrophobicContact CD2-CG 4.28Å
110P26.2Very low27.9Very low120 Ų120134.9 Ų134.978%0.77969%0.685SS**  -122.8149.857.824-5.3000114.3
111K26.6Very low27.8Very low167 Ų167134 Ų13473%0.72668%0.679SS**  57.792.569.7-69.9-171.3177.2-175.40115.5L109L109-K111 HydrophobicContact CD2-CG 4.28Å
112L25.9Very low27.9Very low154 Ų154131.8 Ų131.881%0.80668%0.675SS**  -119.1118.6127.2-69175.9000105.9
113K26Very low28.1Very low154 Ų154133.6 Ų133.667%0.6769%0.685SS**  63.8121.567.6-66.7-172.2-163-178.40109.3
114H31.6Very low28Very low155 Ų155139.1 Ų139.172%0.71871%0.706SS**  cis-151.3168.118.3-91.6-66.8000108.4
115T30Very low27.9Very low103 Ų103141.5 Ų141.563%0.63273%0.727SS**  cis-154.2153.28.2-1.40000111.4
116D29Very low27.7Very low120 Ų120134.8 Ų134.864%0.64272%0.718SS**  trans74.6123.7140-58.1-19.5000126.8
117H30.4Very low27.4Very low168 Ų168132.3 Ų132.378%0.77872%0.723SS**  trans72.2130.3148.5-54.7-28.5000120.7
118S30.1Very low27.2Very low94 Ų94131.1 Ų131.166%0.65773%0.732SS**  cis-164.4130.9-9.533.50000114.2
119L29.2Very low27.2Very low173 Ų173133.1 Ų133.191%0.90674%0.736SS**  trans58.3157.9137.1-56.8170.6000120.7
120A28.9Very low26.8Very low79 Ų79135.7 Ų135.765%0.65374%0.741SS**  cis-175.5173.4-29.300000110
121I26.9Very low26.8Very low145 Ų145137.8 Ų137.874%0.74475%0.745SS**  cis-175.1154.7-48.6-150.6170.1000108.8
122I26.3Very low26.9Very low145 Ų145135.6 Ų135.674%0.74475%0.748SS**  trans71.1148.4157-83.6169.2000118.7
123P30.7Very low26.8Very low97 Ų97135.1 Ų135.163%0.6375%0.751SS**  cis-149.4-175-27.945.8-26.7000117.3
124K24.3Very low26.7Very low187 Ų187134.4 Ų134.481%0.81376%0.755SS**  trans51.1115.5139.4-77.8173.2-179.4-1780123.7
125T23Very low26.4Very low137 Ų137135.9 Ų135.984%0.8476%0.756SS**  35.9108.512660.20000120.4
126G25.1Very low26.3Very low70 Ų70140.3 Ų140.372%0.72277%0.769SS**  trans-172115164.100000114.2
127T23Very low26.1Very low135 Ų135138.9 Ų138.983%0.82877%0.765SS**  trans19.7110.3157.651.40000121.5
128V22.5Very low25.8Very low121 Ų121139.2 Ų139.273%0.73376%0.764SS**  44.8102.2123.4-1740000118.5
129N23.9Very low25.5Very low132 Ų132142 Ų14271%0.70677%0.766SS**  -174.7135.4110-102.6-60.5000115.2
130K24.5Very low25.4Very low193 Ų193144 Ų14484%0.83976%0.762SS**  trans57.397148-63.9177.1-176.4-178.20121.3
131L26.1Very low25.2Very low165 Ų165147 Ų14786%0.86476%0.76SS**  trans-67.2176.6149.2-73.1157.4000112.4
132P28Very low25.1Very low120 Ų120148 Ų14878%0.77976%0.762SS**  cis-122.9173-11.823.5-1.2000113.9
133T24Very low25Very low144 Ų144148 Ų14888%0.88376%0.763SS**  trans-97.2143.6-178.248.80000114.7
134D23.8Very low24.7Very low140 Ų140151.9 Ų151.975%0.74977%0.769SS**  trans-84.6179.3166.7-154.7-19000111.4
135Y25.4Very low24.6Very low186 Ų186152.7 Ų152.773%0.72977%0.769SS**  trans64.8111.2164.3-91.4-114.9000120.6V137Y135-V137 HydrophobicContact CD1-CG2 3.71Å; Y135-V137 HydrophobicContact CE1-CG2 4.34Å
136Q27.3Very low24.6Very low196 Ų196149.5 Ų149.592%0.91674%0.744SS**  -163.3155.6127.9-105.6-176.22900110.1
137V25.8Very low24.5Very low90 Ų90149.3 Ų149.355%0.54574%0.736SS.*  -180114.5-60.3147.30000107.1Y135Y135-V137 HydrophobicContact CD1-CG2 3.71Å; Y135-V137 HydrophobicContact CE1-CG2 4.34Å
138K23.4Very low24.6Very low174 Ų174144.1 Ų144.176%0.75770%0.703SS**  trans63.9140.5150.2-67.2175-172.5172.20122.3
139Q24.2Very low24.6Very low152 Ų152142.9 Ų142.971%0.7169%0.686SS**  trans72.4137.9144.8-72.3167.725.200118.6
140R26.4Very low24.6Very low215 Ų215137 Ų13781%0.81166%0.655SS**  cis-133.4148.9-6.4-76.5123.2172.2-163.3-3.3107.3
141K24.7Very low24.5Very low144 Ų144131 Ų13163%0.62663%0.632SS**  63.613650.4-66.7-165.3172.3-165.60112.5
142Q24.4Very low24.3Very low165 Ų165128 Ų12877%0.77162%0.621SS**  cis-154-170.921.6-127.7146.3-32.900111.6
143L23.6Very low24.2Very low146 Ų146125.4 Ų125.476%0.76460%0.6SS**  trans82.373.1170.6-57.8173.7000119.7Y145L143-Y145 HydrophobicContact CD2-CE2 4.44Å
144K24.7Very low24.2Very low177 Ų177121.4 Ų121.477%0.7758%0.578SS**  trans-137139.4135-85.4-164.5173.4-170.20108.4
145Y23.4Very low24.2Very low205 Ų205118.7 Ų118.780%0.80456%0.564SS**  trans-131.495.3-175.7-93.3-80.6000110.6L143L143-Y145 HydrophobicContact CD2-CE2 4.44Å
146Q23.4Very low24.3Very low70 Ų70111.4 Ų111.433%0.32754%0.537SS..  trans-136.5123.3162.8-73.4144.9-75.400105.2E1202 Y1238 S1428Q146-E1202 PolarHBondContact NE2-OE2 3.41Å; Q146-Y1238 PolarHBondContact NE2-OH 3.05Å; Q146-S1428 WeakPolarHBondContact O-CB 3.12Å; Q146-S1428 PolarHBondContact O-OG 3.04Å
147A22.5Very low24.2Very low65 Ų65106 Ų10654%0.53751%0.514SS..  cis88136.539.400000112.7
148N25.1Very low24.2Very low27 Ų27107.6 Ų107.614%0.14451%0.514CS..  trans81.9127.7-174.9-45.6-22.3000112.9Y1238 K1241N148-Y1238 PolarHBondContact ND2-O 2.72Å; N148-K1241 WeakPolarHBondContact OD1-CE 3.44Å; N148-K1241 PolarHBondContact OD1-NZ 2.77Å
149Y22.2Very low24.3Very low94 Ų94101.7 Ų101.737%0.36949%0.492SS..  cis79.314941.1-63.1-63.4000111.7I1240 P1480 K1481Y149-I1240 VanDerWaalsContact O-CD1 3.3Å; Y149-I1240 WeakPolarHBondContact O-CD1 3.34Å; Y149-P1480 HydrophobicContact CE1-CB 3.82Å; Y149-P1480 HydrophobicContact CE1-CG 4.1Å; Y149-K1481 HydrophobicContact CD1-CD 4.33Å; Y149-K1481 HydrophobicContact CD1-CG 3.7Å; Y149-K1481 HydrophobicContact CE1-CG 4.17Å
150P24.1Very low24.4Very low9 Ų997.4 Ų97.46%0.05847%0.474CS..  -125.6-172.9-105.448.7-51.8000121.1T152 I1240 K1481P150-T152 PolarHBondContact O-N 2.69Å; P150-I1240 HydrophobicContact CG-CG2 4.25Å; P150-I1240 WeakPolarHBondContact O-CD1 3.44Å; P150-K1481 HydrophobicContact CB-CD 3.39Å; P150-K1481 VanDerWaalsContact CB-CE 3.43Å; P150-K1481 HydrophobicContact CB-CG 3.97Å; P150-K1481 HydrophobicContact CG-CB 3.82Å; P150-K1481 HydrophobicContact CG-CD 3.48Å; P150-K1481 VanDerWaalsContact CG-CD 3.48Å; P150-K1481 HydrophobicContact CG-CG 3.52Å
151N21.8Very low24.3Very low67 Ų6796.4 Ų96.436%0.35848%0.476SS..  trans48.149.9136-69.431.4000118.1
152T21.6Very low24.4Very low103 Ų10394 Ų9463%0.63247%0.473SS*.SBendtrans-165.3131.4135.517.90000109.6P150 S154P150-T152 PolarHBondContact O-N 2.69Å; T152-S154 PolarHBondContact O-N 3.49Å
153N26.1Very low24.8Very low64 Ų6490.7 Ų90.734%0.34246%0.456SS..SBendtrans53.32.5163.6-57-16.8000119.6N155 L156 V1281N153-N155 PolarHBondContact O-N 3.45Å; N153-L156 PolarHBondContact O-N 3.34Å; N153-V1281 VanDerWaalsContact ND2-CG2 3.29Å; N153-V1281 WeakPolarHBondContact ND2-CG2 3.44Å
154S23.8Very low25.2Very low61 Ų6191.3 Ų91.343%0.42745%0.453SS..G310 helixtrans-70.6-16.5-165.154.20000116.7T152 L156T152-S154 PolarHBondContact O-N 3.49Å; S154-L156 PolarHBondContact O-N 2.8Å
155N24.8Very low25.5Very low82 Ų8284.2 Ų84.244%0.43942%0.423SS..G310 helixtrans-84.2-3-178.3-82.6-36.2000115N153 L157 L1396N153-N155 PolarHBondContact O-N 3.45Å; N155-L157 VanDerWaalsContact C-N 3.26Å; N155-L157 PolarHBondContact O-N 3.41Å; N155-L1396 HydrophobicContact CB-CD1 4.17Å
156L26.7Very low25.8Very low33 Ų3376.7 Ų76.717%0.17340%0.399CS..G310 helixtrans-76.1-12.4175.6-79.9159000113.9N153 S154 I1335N153-L156 PolarHBondContact O-N 3.34Å; S154-L156 PolarHBondContact O-N 2.8Å; L156-I1335 HydrophobicContact CD1-CD1 4.06Å; L156-I1335 HydrophobicContact CD2-CD1 3.49Å; L156-I1335 VanDerWaalsContact CD2-CD1 3.49Å; L156-I1335 HydrophobicContact CG-CD1 4.42Å
157L26.3Very low26.2Very low84 Ų8479.4 Ų79.444%0.4442%0.416SS..G310 helixtrans-105.324-175.8-72.6167.3000114.7N155 V159N155-L157 VanDerWaalsContact C-N 3.26Å; N155-L157 PolarHBondContact O-N 3.41Å; L157-V159 HydrophobicContact CD2-CG2 3.76Å; L157-V159 PolarHBondContact O-N 2.86Å
158K25.2Very low26.8Very low122 Ų12277.8 Ų77.853%0.5340%0.398SS..  trans-67.756.2148.5-98.4-174.7173.3178.70109.6D160 D1391 T1393K158-D160 PolarHBondContact O-N 2.81Å; K158-D1391 IonicContact NZ-OD1 2.64Å; K158-D1391 IonicContact NZ-OD2 2.71Å; K158-D1391 PolarHBondContact NZ-OD2 3.02Å; K158-T1393 PolarHBondContact NZ-OG1 3.45Å
159V25.4Very low27.5Very low50 Ų5077.9 Ų77.930%0.30340%0.399SS..  trans-61.2123.4168.8-179.10000106.7L157 K163L157-V159 HydrophobicContact CD2-CG2 3.76Å; L157-V159 PolarHBondContact O-N 2.86Å; V159-K163 HydrophobicContact CG1-CD 3.83Å; V159-K163 HydrophobicContact CG1-CG 3.91Å
160D25.6Very low28.1Very low62 Ų6281.9 Ų81.933%0.33242%0.418SS..  trans-48.1148.4-170.8-63.8-59.5000112.9K158 T162 K163 R1324K158-D160 PolarHBondContact O-N 2.81Å; D160-T162 WeakPolarHBondContact CB-OG1 3.3Å; D160-T162 PolarHBondContact O-N 3.34Å; D160-K163 PolarHBondContact O-N 3.11Å; D160-R1324 IonicContact OD2-CZ 3.75Å; D160-R1324 IonicContact OD2-NH1 3.78Å; D160-R1324 PolarHBondContact OD2-NH1 3Å; D160-R1324 IonicContact OD2-NH2 2.86Å; D160-R1324 PolarHBondContact OD2-NH2 3.3Å
161K26.2Very low28.6Very low194 Ų19483.2 Ų83.284%0.84342%0.424SS*.THydrogen-bonded Turntrans-66.823.4171.1-58.9178.7-179.5177.10113
162T25Very low29.4Very low94 Ų9485.2 Ų85.258%0.57744%0.435SS*.THydrogen-bonded Turntrans-131.810.6-175630000113D160 K164D160-T162 WeakPolarHBondContact CB-OG1 3.3Å; D160-T162 PolarHBondContact O-N 3.34Å; T162-K164 PolarHBondContact O-N 3.29Å
163K33.4Very low30.2Very low95 Ų9580.6 Ų80.641%0.41341%0.407SS..  trans-61.785.9158.4-101.5-159.7175.1-170.30108.4V159 D160 E1270V159-K163 HydrophobicContact CG1-CD 3.83Å; V159-K163 HydrophobicContact CG1-CG 3.91Å; D160-K163 PolarHBondContact O-N 3.11Å; K163-E1270 IonicContact NZ-OE1 2.69Å; K163-E1270 PolarHBondContact NZ-OE1 3.19Å
164K31.9Very low30.9Very low159 Ų15978.9 Ų78.969%0.69140%0.397SS*.PPolyproline II helixtrans-49.3139161.8-68.9171.7-178.5162.70107.4T162T162-K164 PolarHBondContact O-N 3.29Å
165L30.8Very low31.7Very low28 Ų2878.6 Ų78.615%0.14739%0.389CS..PPolyproline II helixtrans-63144.4168.9-80.4100.3000108.5N167 L168 M1144 T1193 I1196L165-N167 PolarHBondContact O-N 3.31Å; L165-N167 VanDerWaalsContact O-N 3.13Å; L165-L168 HydrophobicContact CB-CD1 4.3Å; L165-L168 HydrophobicContact CD2-CD1 4.44Å; L165-M1144 HydrophobicContact CD1-CB 3.75Å; L165-M1144 HydrophobicContact CD1-CE 4.5Å; L165-M1144 HydrophobicContact CD1-CG 4.39Å; L165-M1144 HydrophobicContact CD1-SD 3.95Å; L165-M1144 HydrophobicContact CD2-CE 4Å; L165-M1144 HydrophobicContact CD2-SD 3.53Å; L165-M1144 VanDerWaalsContact CD2-SD 3.53Å; L165-M1144 HydrophobicContact CG-SD 4.39Å; L165-T1193 HydrophobicContact CD2-CG2 4.27Å; L165-I1196 HydrophobicContact CD2-CG2 4.42Å
166P30.3Very low32.5Very low47 Ų4775.2 Ų75.231%0.30537%0.371SS..PPolyproline II helixtrans-60122.5-176.724.2-33.3000109.1L168 Y1192P166-L168 HydrophobicContact CG-CD1 4.32Å; P166-L168 WeakPolarHBondContact O-CD1 3.47Å; P166-L168 WeakPolarHBondContact O-CG 3.36Å; P166-L168 PolarHBondContact O-N 3.49Å; P166-Y1192 HydrophobicContact CG-CE1 3.86Å
167N31.7Very low33Very low128 Ų12874 Ų7468%0.68436%0.364SS*.  trans-31.995.4-171.9-71.6-83.9000113.6L165L165-N167 PolarHBondContact O-N 3.31Å; L165-N167 VanDerWaalsContact O-N 3.13Å
168L34.7Very low33.5Very low30 Ų3071.1 Ų71.116%0.15735%0.35CS..  trans-99.3119.7-175.9-86.4136.6000108.7L165 P166 I1141 K1189 T1193L165-L168 HydrophobicContact CB-CD1 4.3Å; L165-L168 HydrophobicContact CD2-CD1 4.44Å; P166-L168 HydrophobicContact CG-CD1 4.32Å; P166-L168 WeakPolarHBondContact O-CD1 3.47Å; P166-L168 WeakPolarHBondContact O-CG 3.36Å; P166-L168 PolarHBondContact O-N 3.49Å; L168-I1141 HydrophobicContact CB-CD1 4.35Å; L168-I1141 WeakPolarHBondContact O-CD1 3.48Å; L168-K1189 HydrophobicContact CD2-CB 3.86Å; L168-T1193 HydrophobicContact CD1-CG2 3.27Å; L168-T1193 HydrophobicContact CD2-CG2 3.86Å; L168-T1193 HydrophobicContact CG-CG2 4.19Å
169I40.4Very low33.9Very low30 Ų3066.3 Ų66.315%0.15433%0.331CS..  trans62.560.4162.6-50.9179000111.9L171 I1137 L1186I169-L171 HydrophobicContact CG2-CD1 3.66Å; I169-L171 HydrophobicContact CG2-CG 3.84Å; I169-I1137 HydrophobicContact CB-CG2 4.12Å; I169-I1137 HydrophobicContact CD1-CD1 3.83Å; I169-I1137 HydrophobicContact CD1-CG2 3.76Å; I169-I1137 HydrophobicContact CG1-CG2 4.43Å; I169-I1137 HydrophobicContact CG2-CG2 4.26Å; I169-L1186 HydrophobicContact CD1-CD1 3.81Å; I169-L1186 HydrophobicContact CD1-CD2 4.29Å; I169-L1186 HydrophobicContact CD1-CG 3.94Å; I169-L1186 HydrophobicContact CG1-CD1 4.22Å
170K34.2Very low34Very low178 Ų17864.3 Ų64.377%0.77432%0.319SS*.  trans-82.8100.2143.3-72.8-175.4177.6177.90107.3
171L34.8Very low34.3Very low37 Ų3763 Ų6319%0.19431%0.313CS..  trans-93.3150.1164.9-70.1166.3000108.5I169 P173 I256 Y1134I169-L171 HydrophobicContact CG2-CD1 3.66Å; I169-L171 HydrophobicContact CG2-CG 3.84Å; L171-P173 WeakPolarHBondContact O-CD 3.28Å; L171-I256 HydrophobicContact CD2-CD1 4.2Å; L171-Y1134 HydrophobicContact CD1-CD1 3.84Å; L171-Y1134 HydrophobicContact CD1-CD2 4.26Å; L171-Y1134 HydrophobicContact CD1-CE1 3.37Å; L171-Y1134 HydrophobicContact CD1-CE2 3.83Å; L171-Y1134 HydrophobicContact CD1-CG 4.28Å
172D39.4Very low34.5Very low109 Ų10956.4 Ų56.458%0.58328%0.282SS*.  trans-85.8122.7179.2-83.3-44.9000109.7I174 E175D172-I174 HydrophobicContact CB-CD1 4.32Å; D172-I174 HydrophobicContact CB-CG1 4.5Å; D172-I174 PolarHBondContact O-N 2.85Å; D172-E175 PolarHBondContact O-N 2.91Å
173P37.6Very low34.5Very low6 Ų653.7 Ų53.74%0.03926%0.263CS..Hα-helixtrans-60.10.2-176.3-27.434000117.1L171 E176 I177 V1069 Y1072 L1073L171-P173 WeakPolarHBondContact O-CD 3.28Å; P173-E176 WeakPolarHBondContact CA-OE2 3.45Å; P173-I177 WeakPolarHBondContact O-CG1 3.38Å; P173-I177 PolarHBondContact O-N 2.77Å; P173-V1069 HydrophobicContact CB-CG1 3.44Å; P173-V1069 VanDerWaalsContact CB-CG1 3.44Å; P173-Y1072 HydrophobicContact CG-CD1 3.75Å; P173-Y1072 HydrophobicContact CG-CE1 3.56Å; P173-L1073 HydrophobicContact CB-CD2 4.22Å; P173-L1073 HydrophobicContact CB-CG 4.41Å; P173-L1073 HydrophobicContact CG-CD2 4.25Å
174I40.6Very low34.1Very low27 Ų2753.1 Ų53.114%0.13827%0.265CS..Hα-helixtrans-70.3-40.4176.1-45.9162000109.8D172 E176 I177 V178 Q1041 Y1043 L1073D172-I174 HydrophobicContact CB-CD1 4.32Å; D172-I174 HydrophobicContact CB-CG1 4.5Å; D172-I174 PolarHBondContact O-N 2.85Å; I174-E176 VanDerWaalsContact C-N 3.31Å; I174-E176 PolarHBondContact O-N 2.92Å; I174-I177 PolarHBondContact O-N 3.47Å; I174-V178 PolarHBondContact O-N 3.13Å; I174-Q1041 HydrophobicContact CD1-CG 4.39Å; I174-Y1043 WeakPolarHBondContact CD1-OH 3.41Å; I174-L1073 HydrophobicContact CD1-CD2 4.43Å; I174-L1073 HydrophobicContact CG1-CD1 3.81Å; I174-L1073 HydrophobicContact CG1-CD2 3.77Å; I174-L1073 HydrophobicContact CG1-CG 4.48Å
175E41.3Very low33.7Very low55 Ų5548 Ų4826%0.25726%0.257SS..Hα-helixtrans-65.9-37-179.9-63.8178.5171.800110.7D172 V178 V179 F255D172-E175 PolarHBondContact O-N 2.91Å; E175-V178 PolarHBondContact O-N 3.22Å; E175-V178 VanDerWaalsContact O-N 3.15Å; E175-V179 WeakPolarHBondContact O-CG2 3.03Å; E175-V179 PolarHBondContact O-N 3.34Å; E175-F255 PolarHBondContact OE1-N 2.64Å
176E41.3Very low33.3Very low12 Ų1253.8 Ų53.86%0.05629%0.288CS..Hα-helixtrans-68.6-35.5-179.9-63.6167.9150.200112.7P173 I174 V178 S180 Y1099 H1100 Y1134P173-E176 WeakPolarHBondContact CA-OE2 3.45Å; I174-E176 VanDerWaalsContact C-N 3.31Å; I174-E176 PolarHBondContact O-N 2.92Å; E176-V178 VanDerWaalsContact C-N 3.28Å; E176-V178 PolarHBondContact O-N 3.44Å; E176-S180 WeakPolarHBondContact O-CB 3.2Å; E176-S180 PolarHBondContact O-N 2.88Å; E176-S180 PolarHBondContact O-OG 3.46Å; E176-Y1099 WeakPolarHBondContact OE1-CE1 3.33Å; E176-Y1099 PolarHBondContact OE1-OH 3.11Å; E176-Y1099 WeakPolarHBondContact OE2-CE1 3.03Å; E176-H1100 IonicContact OE2-CE1 2.69Å; E176-H1100 PolarHBondContact OE2-CE1 2.91Å; E176-H1100 VanDerWaalsContact OE2-CE1 3.28Å; E176-H1100 IonicContact OE2-ND1 3.27Å; E176-Y1134 WeakPolarHBondContact OE1-CD2 3.01Å
177I37.2Very low33Very low6 Ų658.8 Ų58.83%0.03131%0.305CS..Hα-helixtrans-59.9-41.5170.5-67.1170.7000110.6P173 I174 Y1066 V1069 F1070 L1073P173-I177 WeakPolarHBondContact O-CG1 3.38Å; P173-I177 PolarHBondContact O-N 2.77Å; I174-I177 PolarHBondContact O-N 3.47Å; I177-Y1066 HydrophobicContact CG1-CD1 4.45Å; I177-Y1066 HydrophobicContact CG2-CD1 3.8Å; I177-Y1066 HydrophobicContact CG2-CE1 3.89Å; I177-V1069 HydrophobicContact CD1-CB 3.9Å; I177-V1069 HydrophobicContact CD1-CG1 3.66Å; I177-V1069 HydrophobicContact CG1-CB 4.17Å; I177-V1069 HydrophobicContact CG1-CG1 3.94Å; I177-V1069 HydrophobicContact CG1-CG2 4.48Å; I177-F1070 HydrophobicContact CD1-CD1 3.97Å; I177-F1070 HydrophobicContact CD1-CE1 3.44Å; I177-F1070 VanDerWaalsContact CD1-CE1 3.44Å; I177-F1070 HydrophobicContact CD1-CZ 3.91Å; I177-L1073 HydrophobicContact CD1-CD1 4.49Å
178V36.2Very low32.5Very low24 Ų2458.5 Ų58.515%0.14531%0.308CS..Hα-helixtrans-76-36.2-176.11760000111.6I174 E175 E176 Y182 A976 I1039I174-V178 PolarHBondContact O-N 3.13Å; E175-V178 PolarHBondContact O-N 3.22Å; E175-V178 VanDerWaalsContact O-N 3.15Å; E176-V178 VanDerWaalsContact C-N 3.28Å; E176-V178 PolarHBondContact O-N 3.44Å; V178-Y182 WeakPolarHBondContact O-CD2 3.42Å; V178-Y182 WeakPolarHBondContact O-CE2 3.49Å; V178-A976 HydrophobicContact CG1-CB 3.97Å; V178-I1039 HydrophobicContact CG2-CD1 4.43Å; V178-I1039 HydrophobicContact CG2-CG1 3.92Å
179V33.2Very low31.9Very low22 Ų2263.4 Ų63.413%0.13334%0.34CS..Hα-helixtrans-84.2-39.9-177.5174.20000113.1E175 D181 Y182E175-V179 WeakPolarHBondContact O-CG2 3.03Å; E175-V179 PolarHBondContact O-N 3.34Å; V179-D181 PolarHBondContact O-N 2.86Å; V179-D181 VanDerWaalsContact O-N 3.12Å; V179-Y182 PolarHBondContact O-N 2.99Å; V179-Y182 VanDerWaalsContact O-N 3.08Å
180S29.2Very low31Very low7 Ų768.9 Ų68.95%0.04938%0.375CS..Hα-helixtrans-61.8-23.8-178.158.70000113.4E176 Y182 R1062 L1096E176-S180 WeakPolarHBondContact O-CB 3.2Å; E176-S180 PolarHBondContact O-N 2.88Å; E176-S180 PolarHBondContact O-OG 3.46Å; S180-Y182 PolarHBondContact O-N 3.4Å; S180-Y182 VanDerWaalsContact O-N 3.15Å; S180-R1062 PolarHBondContact O-NH2 2.99Å; S180-L1096 WeakPolarHBondContact OG-CD2 3.32Å
181D30.4Very low30.4Very low36 Ų3663.9 Ų63.919%0.19337%0.374CS..THydrogen-bonded Turntrans-64.5-9.6175.1-8313.3000114.8V179 I1035 R1062 Y1066V179-D181 PolarHBondContact O-N 2.86Å; V179-D181 VanDerWaalsContact O-N 3.12Å; D181-I1035 WeakPolarHBondContact OD2-CD1 3.19Å; D181-R1062 VanDerWaalsContact CA-NH2 3.26Å; D181-R1062 IonicContact OD1-CZ 3.24Å; D181-R1062 IonicContact OD1-NE 3.45Å; D181-R1062 PolarHBondContact OD1-NE 3.24Å; D181-R1062 IonicContact OD1-NH2 2.88Å; D181-R1062 PolarHBondContact OD1-NH2 3.22Å; D181-Y1066 WeakPolarHBondContact OD1-CE1 3.4Å; D181-Y1066 PolarHBondContact OD1-OH 2.91Å; D181-Y1066 PolarHBondContact OD2-OH 2.92Å
182Y30.2Very low29.9Very low54 Ų5470.3 Ų70.321%0.21241%0.407CS..THydrogen-bonded Turntrans-1254.2-169.9-62.1-95.5000114.5V178 V179 S180 W248 F249 R973V178-Y182 WeakPolarHBondContact O-CD2 3.42Å; V178-Y182 WeakPolarHBondContact O-CE2 3.49Å; V179-Y182 PolarHBondContact O-N 2.99Å; V179-Y182 VanDerWaalsContact O-N 3.08Å; S180-Y182 PolarHBondContact O-N 3.4Å; S180-Y182 VanDerWaalsContact O-N 3.15Å; Y182-W248 HydrophobicContact CD1-CB 4.31Å; Y182-W248 HydrophobicContact CE1-CB 4.35Å; Y182-F249 WeakPolarHBondContact CD1-O 3.47Å; Y182-R973 PolarHBondContact OH-NE 3.14Å
183Q26.6Very low29Very low37 Ų3774 Ų7417%0.17342%0.42CS..THydrogen-bonded Turntrans-124.2-7.9-176.1-67.6-173.2-13.100115.1G185 P250 Y1128Q183-G185 PolarHBondContact O-N 3.1Å; Q183-P250 HydrophobicContact CG-CB 4.49Å; Q183-Y1128 PolarHBondContact OE1-O 3.3Å
184D24.6Very low28.3Very low84 Ų8476.3 Ų76.345%0.44945%0.445SS..  trans-77.353172.6-66.7-35.7000112.3D186 R1062D184-D186 PolarHBondContact O-N 2.71Å; D184-D186 VanDerWaalsContact O-N 3.13Å; D184-R1062 IonicContact OD2-CZ 2.7Å; D184-R1062 IonicContact OD2-NH1 3.85Å; D184-R1062 PolarHBondContact OD2-NH1 3.45Å; D184-R1062 IonicContact OD2-NH2 2.68Å; D184-R1062 PolarHBondContact OD2-NH2 3.31Å
185G23.2Very low27.5Very low50 Ų5083.3 Ų83.352%0.51548%0.477SS..  trans-78.782.9170.700000110.8Q183 F187Q183-G185 PolarHBondContact O-N 3.1Å; G185-F187 WeakPolarHBondContact O-CD2 3.44Å; G185-F187 PolarHBondContact O-N 3Å
186D22.1Very low26.6Very low150 Ų15086.7 Ų86.780%0.80250%0.497SS*.  trans-64122.4177-160.117.7000110.4D184D184-D186 PolarHBondContact O-N 2.71Å; D184-D186 VanDerWaalsContact O-N 3.13Å
187F23.2Very low25.7Very low152 Ų15294.4 Ų94.467%0.66753%0.531SS*.  trans-77.1127.6-157.7-89.6-107000113.6G185G185-F187 WeakPolarHBondContact O-CD2 3.44Å; G185-F187 PolarHBondContact O-N 3Å
188T22.4Very low25Very low123 Ų123102.7 Ų102.776%0.75557%0.567SS**  trans33.591.2143.559.70000118.6
189T21.8Very low24.3Very low133 Ų133108.6 Ų108.682%0.81660%0.598SS**  trans-147.6117.5143.235.50000107.8
190T21Very low23.8Very low145 Ų145117.9 Ų117.989%0.8963%0.632SS**SBendcis-156.416047.840.90000111.5
191G21.1Very low23.4Very low73 Ų73122.6 Ų122.675%0.75367%0.665SS**SBendtrans100.554.9159.300000117.9
192I25.1Very low23Very low172 Ų172127.9 Ų127.988%0.88269%0.692SS**  -154125.7126.7-95145.1000106.8
193Q21.4Very low22.7Very low186 Ų186131.7 Ų131.787%0.86972%0.715SS**  trans-97.4154.2166.4-68.3176.7-51.500108.2
194G22.3Very low22.5Very low55 Ų55138.7 Ų138.757%0.56775%0.745SS**  trans132123.4162.600000114.8
195Q22.9Very low22.4Very low173 Ų173141 Ų14181%0.80876%0.757SS**  trans66.2119.6164.3-49.8177.239.300114.6
196N23.2Very low22.4Very low126 Ų126143.8 Ų143.867%0.67476%0.764SS**  cis-141150.61.8-71.5-55.9000107.6
197K22.2Very low22.5Very low175 Ų175142.3 Ų142.376%0.76176%0.761SS**  59.3141.462.8-82.1-166.5174.8-171.50114.8
198F23Very low22.5Very low180 Ų180140.9 Ų140.979%0.78976%0.76SS**  trans75.9113.1-178.2-49.3-69000112.7
199D21Very low22.6Very low148 Ų148143.2 Ų143.279%0.79176%0.76SS**  cis64.7141.530.8-81.3-48.5000116.1
200Y23.5Very low22.8Very low216 Ų216143 Ų14385%0.84775%0.753SS**  trans-40.1139.2-178.9-70.4-106000115.2
201S21.1Very low22.9Very low107 Ų107141.1 Ų141.175%0.74874%0.742SS**  173.6147.3114.3470000116.3
202L21.4Very low22.9Very low147 Ų147144.7 Ų144.777%0.7774%0.741SS**  trans44.8118.7140-83.574.1000123.7
203I22.7Very low22.8Very low134 Ų134144 Ų14469%0.68773%0.732SS**  63.4110.1113.8-64.2178.1000120.3
204K22.9Very low22.9Very low184 Ų184143.7 Ų143.780%0.873%0.727SS**  trans70.4151139.3-73.9179.1-175.5176.90123
205N22.9Very low23.2Very low133 Ų133150.7 Ų150.771%0.71174%0.742SS**  trans85.798.3143.8-74.410.4000122.9
206T23.1Very low23.2Very low108 Ų108149.4 Ų149.466%0.66374%0.741SS**  59.3116.2121.158.60000123.2
207T23.4Very low23.6Very low118 Ų118148.5 Ų148.572%0.72474%0.742SS**  76.7136.1129.861.10000123.7
208N23.8Very low23.7Very low123 Ų123145.7 Ų145.766%0.65874%0.739SS**  trans78.2108.3139.3-82-36.3000122.2
209K24.4Very low23.8Very low171 Ų171144.3 Ų144.374%0.74374%0.74SS**  81.8141.9118-77.8179.1-177-179.20122.4
210N25.6Very low24Very low128 Ų128142.4 Ų142.468%0.68474%0.738SS**  trans87.893.6139.7-73.39.3000122.1
211T23.2Very low24.1Very low106 Ų106139.9 Ų139.965%0.6574%0.738SS**  62.4143.9119.363.80000122.5
212M22.6Very low24.1Very low148 Ų148139.7 Ų139.773%0.72974%0.736SS**  trans76.2150.7158.9-49.5-146.9-158.800116.5
213K23Very low24.3Very low158 Ų158139.1 Ų139.169%0.68773%0.73SS**  cis-163.4155.8-23.2-110.7172.8-170.2158.10107.3
214K23.5Very low24.3Very low180 Ų180142 Ų14278%0.78374%0.737SS**  trans38.3112.7148.1-59.5-179.3172.7-169.30118.3
215K26.9Very low24.3Very low201 Ų201139.7 Ų139.787%0.87474%0.738SS**  176121.7104.1-97.5169.9179.7-176.50113.8
216D24.4Very low24.1Very low147 Ų147138.2 Ų138.279%0.78674%0.736SS**  trans-62.5172148.9-52.8-80.1000111.7
217P31Very low24Very low107 Ų107139.9 Ų139.970%0.69575%0.746SS**  cis-135.5-138-37.535.1-15.8000109.9
218T24.1Very low23.9Very low115 Ų115138.1 Ų138.171%0.70674%0.743SS**  trans80.1140.616973.30000117.5
219N25Very low23.8Very low152 Ų152138.9 Ų138.981%0.81376%0.757SS**  trans45.6111.4147.7-53.5-7000118
220S24.9Very low23.6Very low107 Ų107135 Ų13575%0.74875%0.751SS**  cis-163.1134.62.152.60000111.2
221I26.1Very low23.5Very low164 Ų164135.9 Ų135.984%0.84176%0.756SS**  trans30.496.6152.8-56.4172.5000115.3
222S22.3Very low23.4Very low102 Ų102136.9 Ų136.971%0.71376%0.762SS**  trans-56.2135.814349.60000108.1
223E23.6Very low23.4Very low136 Ų136136 Ų13664%0.63677%0.765SS**  cis-142155.643.3-76.5177.1157.100110.5
224K23.1Very low23.4Very low194 Ų194137.6 Ų137.684%0.84377%0.772SS**  cis52.170.119.3-72.7-171.1178.2178.50113.2
225V22.4Very low23.4Very low135 Ų135138.6 Ų138.682%0.81878%0.776SS**  -128.9143.782.3162.80000113.9
226P20.3Very low23.2Very low102 Ų102135.5 Ų135.566%0.66278%0.778SS**  trans-88.8170.6170.96.114.6000113
227V21.5Very low23.2Very low143 Ų143134.4 Ų134.487%0.86778%0.781SS**  trans38.2115.4144-178.50000116.6
228A21.1Very low22.6Very low81 Ų81135 Ų13567%0.66978%0.783SS**  -152.3146.451.400000115.3
229C20.7Very low22.6Very low139 Ų139140.8 Ų140.894%0.93979%0.793SS**  trans-86.3106.7151-65.90000109.6
230S21Very low22.5Very low89 Ų89136.9 Ų136.962%0.62279%0.789SS**  trans-165.9138.4151.555.30000111.2
231N22Very low22.3Very low147 Ų147140.1 Ų140.179%0.78680%0.796SS**  trans32.2111.1142.2-45.9-24000115.9
232T21.7Very low22.2Very low127 Ų127143.1 Ų143.178%0.77980%0.797SS**  -178.7161.755.346.50000109
233T22.8Very low22.4Very low129 Ų129143.4 Ų143.479%0.79179%0.787SS**  cis-155.6163.80.71.40000111.7
234K23.2Very low22.4Very low192 Ų192142.4 Ų142.484%0.83579%0.792SS**  trans-49.7163.1162.6-62.1164.9174.8172.90114.1
235K22.9Very low22.4Very low202 Ų202139.8 Ų139.888%0.87879%0.786SS**  trans92.194.4166.2-57.7-180177.5-1790116.8
236C23.9Very low22.5Very low136 Ų136141.1 Ų141.192%0.91978%0.783SS**  -170.874.7126.9-107.50000109.7
237C22.6Very low22.7Very low124 Ų124140.7 Ų140.784%0.83878%0.781SS**  trans-107101.8178.8-58.80000111
238T20.2Very low23Very low120 Ų120138.3 Ų138.374%0.73676%0.756SS**  trans-169.5133.2154.915.60000111.3
239Y22.5Very low23.2Very low236 Ų236143 Ų14393%0.92576%0.762SS**  trans62.5158.5172.5-56.2-72.8000118.1
240G23.4Very low23.4Very low70 Ų70139.6 Ų139.672%0.72274%0.738SS**  trans128.581176.700000114.5
241I21.9Very low23.5Very low174 Ų174140.3 Ų140.389%0.89273%0.734SS**  trans-73.6134.3161.7-62.2170.8000107.3
242R23.8Very low23.6Very low228 Ų228135 Ų13586%0.8671%0.706SS**  trans-130.1133.8173.4-78-174165.5-163.5-9.2110.8
243E24.9Very low23.6Very low107 Ų107130.1 Ų130.150%0.568%0.677SS.*  trans-86.6153.7177.2-61.2-167.1127.300111.7R1057E243-R1057 IonicContact OE1-CZ 3.12Å; E243-R1057 IonicContact OE1-NH1 2.76Å; E243-R1057 PolarHBondContact OE1-NH1 3.08Å
244P24.2Very low23.7Very low116 Ų116125 Ų12575%0.75364%0.644SS**  trans-86.6129.3175.732.8-32.4000112.6
245I23.2Very low23.8Very low138 Ų138119.6 Ų119.671%0.70862%0.621SS**  trans-116.7126-176.8-58.9166.2000110.3
246E24.8Very low23.7Very low163 Ų163115.4 Ų115.476%0.76261%0.607SS**  trans-156.4159.2163.9-63.4-164.7157.300109
247P24.2Very low23.6Very low94 Ų94116.9 Ų116.961%0.6160%0.598SS**  -138.1137.6-72.334.7-15.3000113.9
248W27Very low23.6Very low92 Ų92116.3 Ų116.335%0.34860%0.595SS.*  trans-142.6140.4174.7-69.4101.9000112.4Y182 M938 K939 R973Y182-W248 HydrophobicContact CD1-CB 4.31Å; Y182-W248 HydrophobicContact CE1-CB 4.35Å; W248-M938 HydrophobicContact CH2-CB 3.39Å; W248-M938 HydrophobicContact CH2-CE 4.34Å; W248-M938 HydrophobicContact CZ2-CB 4.31Å; W248-M938 HydrophobicContact CZ2-CE 4.23Å; W248-M938 VanDerWaalsContact CZ3-C 3.44Å; W248-M938 HydrophobicContact CZ3-CB 3.86Å; W248-M938 WeakPolarHBondContact CZ3-O 3.17Å; W248-K939 HydrophobicContact CH2-CG 3.95Å; W248-K939 HydrophobicContact CZ3-CB 4.48Å; W248-K939 HydrophobicContact CZ3-CG 4.21Å; W248-R973 VanDerWaalsContact CD2-NH2 3.28Å
249F26.5Very low23.6Very low180 Ų180118.5 Ų118.579%0.78960%0.602SS**  trans-119.2176.8-167.8-102-48.4000111.3Y182Y182-F249 WeakPolarHBondContact CD1-O 3.47Å
250P24.1Very low23.6Very low67 Ų67115.7 Ų115.744%0.43560%0.595SS.*  trans-114.9173.6-140.642.2-29.5000114.5Q183Q183-P250 HydrophobicContact CG-CB 4.49Å
251L24Very low23.5Very low104 Ų104121.1 Ų121.155%0.54560%0.604SS.*  trans-161.8159.8151-110.3158.5000109.9
252D22.8Very low23.5Very low37 Ų37120.4 Ų120.420%0.19860%0.602CS.*  trans-103.8159.8-169.2-66.2-63.8000113.4
253S23.5Very low23.5Very low24 Ų24116.8 Ų116.817%0.16860%0.595CS.*  trans94.9159.4145.995.50000120.9Q980 T1179S253-Q980 PolarHBondContact O-NE2 3.01Å; S253-Q980 VanDerWaalsContact O-NE2 3.07Å; S253-T1179 WeakPolarHBondContact OG-CA 3.34Å; S253-T1179 WeakPolarHBondContact OG-CB 3.37Å; S253-T1179 VanDerWaalsContact OG-CG2 3.26Å; S253-T1179 WeakPolarHBondContact OG-CG2 3.45Å
254L23.5Very low23.4Very low20 Ų20119.6 Ų119.611%0.10561%0.605CS.*  trans60.8151.1169.5-79158.9000117.5Q980 E1178 V1182L254-Q980 WeakPolarHBondContact CB-O 3.48Å; L254-E1178 HydrophobicContact CD1-CB 3.31Å; L254-E1178 WeakPolarHBondContact CD1-O 3.38Å; L254-V1182 HydrophobicContact CD1-CG2 4.15Å; L254-V1182 HydrophobicContact CD2-CB 4.35Å; L254-V1182 HydrophobicContact CD2-CG1 3.32Å; L254-V1182 HydrophobicContact CD2-CG2 4.25Å; L254-V1182 HydrophobicContact CG-CB 4.28Å; L254-V1182 HydrophobicContact CG-CG1 3.71Å; L254-V1182 HydrophobicContact CG-CG2 3.65Å
255F25.6Very low23.4Very low80 Ų80120.3 Ų120.335%0.35161%0.607SS.*  cis-150.9124.825.5-132.9-60.4000114.5E175 K257 Q980 E1178E175-F255 PolarHBondContact OE1-N 2.64Å; F255-K257 PolarHBondContact O-N 3.47Å; F255-Q980 WeakPolarHBondContact CD2-O 2.93Å; F255-E1178 WeakPolarHBondContact CE2-OE2 3.36Å
256I20.8Very low23.4Very low113 Ų113119.5 Ų119.558%0.57961%0.609SS**  trans-88.6103.7166.3-58.5176.1000110.4L171L171-I256 HydrophobicContact CD2-CD1 4.2Å
257K22.5Very low23.8Very low167 Ų167116.7 Ų116.773%0.72660%0.604SS**  trans-168.5139150.5-108.7143.2-168.2162.40117.8F255F255-K257 PolarHBondContact O-N 3.47Å
258S22.8Very low23.8Very low112 Ų112120.3 Ų120.378%0.78361%0.613SS**  trans77.7104.5149.369.90000121
259N19.7Very low23.7Very low166 Ų166123.3 Ų123.389%0.88864%0.635SS**  trans-65.9122.5146.1-81.7-68.1000110.2
260K22.1Very low23.5Very low178 Ų178124.8 Ų124.877%0.77464%0.635SS**  trans166.8117.6143.6-97.2164.9175.7-173.80111.6
261M22.6Very low23.4Very low184 Ų184128.4 Ų128.491%0.90665%0.65SS**  171.385.6127.9-94.2-58.4-163.200110.7
262N20.2Very low23.3Very low159 Ų159128.6 Ų128.685%0.8565%0.652SS**  trans-82.6114.8156-102.3-35.5000107.7
263Q24.5Very low23.3Very low152 Ų152137.4 Ų137.471%0.7168%0.682SS**  176.2142.2128.4-100.817543.900116.1
264K23.4Very low23.3Very low166 Ų166140.5 Ų140.572%0.72270%0.704SS**  trans94.7105.7139.9-78.8163.6173.9151.60122.3
265V23.1Very low23.3Very low130 Ų130148.6 Ų148.679%0.78874%0.738SS**  83.486119.2177.70000118.5
266T23.1Very low23.1Very low122 Ų122149.4 Ų149.475%0.74875%0.754SS**  trans-41.3176.2133.454.20000115.6
267P33.8Very low23.2Very low103 Ų103148.8 Ų148.867%0.66976%0.758SS**  cis-129.8-161.2-34.937.4-19.7000110
268H23.5Very low23.3Very low171 Ų171146.9 Ų146.979%0.79276%0.756SS**  trans-170.6150.3135.2-102.1-61.9000114
269L25.7Very low23.4Very low155 Ų155147 Ų14781%0.81275%0.753SS**  trans63.4153.7162.8-60.4161000119.1
270R22Very low23.6Very low210 Ų210146 Ų14679%0.79274%0.74SS**  169.6133.6-58.8-104.5-172.5166.8177.7-2.8108
271L22.2Very low23.8Very low143 Ų143146.8 Ų146.875%0.74974%0.74SS**  trans67.1144.4152.3-58.9165.5000116.2
272N22.5Very low23.8Very low108 Ų108143.1 Ų143.158%0.57873%0.727SS**  cis-161.1149.727.7-108.8-39.1000111.8
273R22.4Very low24Very low222 Ų222141.1 Ų141.184%0.83872%0.717SS**  trans45.7153.6132.5-59.4168.3-171.6-164.9-2.8122.2
274S22.6Very low23.9Very low89 Ų89139.7 Ų139.762%0.62271%0.714SS**  cis-177.6168.2-2558.50000109.8
275K23.4Very low23.8Very low191 Ų191139.2 Ų139.283%0.8371%0.712SS**  trans68.1149.7166.6-63.1-178.4178.5-174.30116.7
276S22.9Very low23.8Very low96 Ų96141 Ų14167%0.67171%0.709SS**  cis-173.8167.1-16.949.30000110.7
277C22.6Very low23.7Very low100 Ų100142.9 Ų142.968%0.67671%0.714SS**  trans77.992.7154-660000121.6
278D24.2Very low23.6Very low128 Ų128143 Ų14368%0.68472%0.715SS**  74.7106.2105.2-60.7-39.3000123.2
279T24.4Very low23.6Very low115 Ų115144.2 Ų144.271%0.70672%0.718SS**  trans77.5165.1130.5750000117.3
280K24.3Very low23.4Very low144 Ų144144.2 Ų144.263%0.62671%0.711SS**  cis-158.1155.315.5-141.6156.5-174.4172.80111.7
281Y25.9Very low23.5Very low194 Ų194139.8 Ų139.876%0.76171%0.713SS**  trans66.8158156.2-63.2-43.9000121
282V23.6Very low23.5Very low107 Ų107141.9 Ų141.965%0.64872%0.719SS**  cis-165.7151.4-44.1103.10000112.1
283N22.8Very low23.6Very low118 Ų118142.3 Ų142.363%0.63173%0.73SS**  trans37.9124.9148.9-59.7-10.6000123.6
284N22.5Very low23.6Very low122 Ų122142.3 Ų142.365%0.65273%0.73SS**  68.5157.9116.2-53.6-10.6000121.4
285F22.3Very low23.7Very low156 Ų156146.5 Ų146.568%0.68475%0.745SS**  cis-154.5168.6-18.3-123.2-153000110.2
286K22.2Very low23.8Very low167 Ų167147.2 Ų147.273%0.72674%0.744SS**  trans-1.5132.6154.9-52.2176.4-173.6179.30120.6
287L22.9Very low23.9Very low162 Ų162151.3 Ų151.385%0.84875%0.752SS**  1.3165.9119.2-64.7163.2000119
288P30.2Very low24Very low105 Ų105151.3 Ų151.368%0.68275%0.753SS**  cis-112.1-140.72.74.323.4000111.8
289F23.2Very low23.9Very low196 Ų196150.4 Ų150.486%0.8676%0.757SS**  cis-149.6-161.35.7-131.9-70.3000110.7
290K23.2Very low24.3Very low155 Ų155149.9 Ų149.967%0.67476%0.755SS**  trans-136.1155.4167.3-70.6-175.7178.1-173.90109.4
291S23.3Very low24.3Very low117 Ų117149.7 Ų149.782%0.81876%0.761SS**  trans-150.6136.5134.3540000110
292E22.7Very low24.2Very low187 Ų187147 Ų14787%0.87476%0.759SS**  trans-170.4127.4146.2-123.1176.2-133.400108.4
293S23.9Very low24.2Very low118 Ų118148.7 Ų148.783%0.82576%0.762SS**  trans-112.7127.3176.450.40000108.9
294R23.4Very low24.3Very low221 Ų221148.6 Ų148.683%0.83476%0.761SS**  trans-99.3139.5168.6-73.3-175.8175.6177.9-2.3110.3
295L24.3Very low24.5Very low177 Ų177150 Ų15093%0.92776%0.764SS**  trans-114.6147.4158.6-82.2166.7000108.7
296Y24.7Very low24.8Very low207 Ų207147.7 Ų147.781%0.81277%0.767SS**  trans-89.3155.8172.5-84.7-106.3000110.1
297H24.9Very low25Very low181 Ų181145 Ų14584%0.83877%0.769SS**  172.5166.7113.3-91.5-69.5000113.5
298S24.4Very low25.3Very low100 Ų100140.5 Ų140.570%0.69976%0.762SS**  trans60.599.5158.553.60000122.8
299S23.8Very low25.1Very low109 Ų109142 Ų14276%0.76277%0.765SS**  22.9165.3102.565.70000121.9
300P31.6Very low25.4Very low104 Ų104139.3 Ų139.368%0.67576%0.758SS**  cis-139.8-154.4-33.637.6-16.2000112.9
301N23.8Very low25.5Very low141 Ų141137.4 Ų137.475%0.75476%0.759SS**  trans75.6156.6159-71.5-3.9000117.9
302L24.8Very low25.6Very low138 Ų138138.9 Ų138.972%0.72376%0.757SS**  cis-155.2160.69.4-123152.7000112.1
303M22.8Very low25.9Very low142 Ų142136.4 Ų136.470%0.775%0.749SS**  trans72.1118.9155.5-64.8-146.1-178.200124.7
304N25.6Very low26.1Very low115 Ų115137.6 Ų137.662%0.61574%0.742SS**  72.3147.7120.7-61.610.1000122
305Q27Very low26.4Very low153 Ų153134.3 Ų134.372%0.71574%0.741SS**  cis-161.9168.6-9.8-119.3164.8-23.400112.4
306S27.6Very low26.6Very low107 Ų107133.5 Ų133.575%0.74873%0.73SS**  trans62141.1158.350.80000120
307S27Very low27Very low110 Ų110126.5 Ų126.577%0.76971%0.711SS**  cis138.3143-13.957.10000109.3
308G29.1Very low27.4Very low68 Ų68121.6 Ų121.670%0.70170%0.697SS**  trans159.940.6-17500000118.7
309D26.9Very low27.6Very low137 Ų137121.7 Ų121.773%0.73369%0.689SS**  40.1140.7106.5-65.239.7000118.8
310L28.3Very low28Very low139 Ų139120.8 Ų120.873%0.72868%0.675SS**  cis-154.9139.7-0.4-91.5149.6000106.1
311V26.1Very low28.1Very low115 Ų115120.7 Ų120.770%0.69767%0.669SS**  54.4125.378.1-1780000115.4
312I26.2Very low28.6Very low148 Ų148119.7 Ų119.776%0.75966%0.66SS**  trans-170.8147.4145.3-104.8155.3000112.2
313N27.4Very low29Very low134 Ų134117.1 Ų117.172%0.71765%0.647SS**  trans53.994.3171.4-64.2-11000118.5
314Q28.1Very low29.7Very low143 Ų143112.8 Ų112.867%0.66863%0.628SS**  cis96.7-23.732-61.5-171.3-34.200118.8S317Q314-S317 PolarHBondContact O-OG 3.29Å
315N30Very low30.2Very low153 Ų153113.9 Ų113.982%0.81863%0.63SS**SBendtrans-87.9-11.8177.3-82.87.9000115
316F29.8Very low30.5Very low160 Ų160112.2 Ų112.270%0.70262%0.622SS**SBendtrans-95.2-16.4171.9-85.7-89.7000113.3S318 L319 L320F316-S318 PolarHBondContact O-N 3.41Å; F316-L319 PolarHBondContact O-N 2.93Å; F316-L320 WeakPolarHBondContact O-CA 3.5Å; F316-L320 WeakPolarHBondContact O-CB 3.44Å; F316-L320 PolarHBondContact O-N 3.32Å
317S31.1Very low30.8Very low59 Ų59114.8 Ų114.841%0.41362%0.615SS.*THydrogen-bonded Turntrans-71.4-19.9-166.634.10000116.1Q314 N321Q314-S317 PolarHBondContact O-OG 3.29Å; S317-N321 VanDerWaalsContact O-CB 3.24Å; S317-N321 WeakPolarHBondContact O-CB 3.28Å; S317-N321 PolarHBondContact O-N 2.9Å; S317-N321 PolarHBondContact O-ND2 2.83Å; S317-N321 VanDerWaalsContact O-ND2 3.12Å
318S33.7Very low31.2Very low78 Ų78116 Ų11655%0.54561%0.607SS.*THydrogen-bonded Turntrans-80.3-60.4169.448.30000110.4F316 L320 N321 E322F316-S318 PolarHBondContact O-N 3.41Å; S318-L320 VanDerWaalsContact C-N 3.26Å; S318-L320 PolarHBondContact O-N 3.36Å; S318-N321 WeakPolarHBondContact O-CA 3.29Å; S318-N321 PolarHBondContact O-N 3.05Å; S318-E322 PolarHBondContact O-N 3.49Å
319L29.2Very low31.3Very low102 Ų102118.8 Ų118.853%0.53461%0.605SS.*Hα-helixtrans-58.6-36.8-178.3-136.684.8000112.3F316 L323F316-L319 PolarHBondContact O-N 2.93Å; L319-L323 HydrophobicContact CD2-CD1 4.2Å; L319-L323 HydrophobicContact CG-CD1 4.27Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 WeakPolarHBondContact O-CD1 3.48Å; L319-L323 WeakPolarHBondContact O-CG 3.46Å; L319-L323 PolarHBondContact O-N 2.77Å
320L32.4Very low31.7Very low90 Ų90116.2 Ų116.247%0.47159%0.59SS.*Hα-helixtrans-77-25.1175.6-165.771000112.1F316 S318 T324F316-L320 WeakPolarHBondContact O-CA 3.5Å; F316-L320 WeakPolarHBondContact O-CB 3.44Å; F316-L320 PolarHBondContact O-N 3.32Å; S318-L320 VanDerWaalsContact C-N 3.26Å; S318-L320 PolarHBondContact O-N 3.36Å; L320-T324 HydrophobicContact CD1-CG2 4.1Å; L320-T324 HydrophobicContact CG-CG2 4.09Å; L320-T324 WeakPolarHBondContact O-CA 2.9Å; L320-T324 WeakPolarHBondContact O-CB 3.21Å; L320-T324 WeakPolarHBondContact O-CG2 3.38Å; L320-T324 PolarHBondContact O-N 3.31Å; L320-T324 PolarHBondContact O-OG1 3.04Å
321N34.4Very low32Very low102 Ų102112.8 Ų112.855%0.54557%0.572SS.*Hα-helixtrans-75.9-39.9171.1-84.1-14000111.4S317 S318 T324 Q325S317-N321 VanDerWaalsContact O-CB 3.24Å; S317-N321 WeakPolarHBondContact O-CB 3.28Å; S317-N321 PolarHBondContact O-N 2.9Å; S317-N321 PolarHBondContact O-ND2 2.83Å; S317-N321 VanDerWaalsContact O-ND2 3.12Å; S318-N321 WeakPolarHBondContact O-CA 3.29Å; S318-N321 PolarHBondContact O-N 3.05Å; N321-T324 CarbonylContact O-C 3.18Å; N321-T324 PolarHBondContact O-N 2.94Å; N321-Q325 WeakPolarHBondContact O-CB 3.47Å; N321-Q325 WeakPolarHBondContact O-CG 3.46Å; N321-Q325 PolarHBondContact O-N 3.07Å
322E33Very low32.4Very low121 Ų121111.7 Ų111.757%0.56556%0.563SS**Hα-helixtrans-67.4-46.5172.3-68.9-178.8139.900110.8S318 T324 Q325 Q326S318-E322 PolarHBondContact O-N 3.49Å; E322-T324 VanDerWaalsContact C-N 3.26Å; E322-T324 PolarHBondContact O-N 2.92Å; E322-Q325 PolarHBondContact O-N 3.36Å; E322-Q326 VanDerWaalsContact O-CB 3.3Å; E322-Q326 WeakPolarHBondContact O-CB 3.47Å; E322-Q326 WeakPolarHBondContact O-CG 3.45Å; E322-Q326 PolarHBondContact O-N 3.04Å
323L34.4Very low32.5Very low84 Ų84111.3 Ų111.344%0.4456%0.559SS.*Hα-helixtrans-72-10.4174.6-66.9170.1000114L319 R327L319-L323 HydrophobicContact CD2-CD1 4.2Å; L319-L323 HydrophobicContact CG-CD1 4.27Å; L319-L323 WeakPolarHBondContact O-CB 3.43Å; L319-L323 WeakPolarHBondContact O-CD1 3.48Å; L319-L323 WeakPolarHBondContact O-CG 3.46Å; L319-L323 PolarHBondContact O-N 2.77Å; L323-R327 WeakPolarHBondContact O-CA 3.45Å; L323-R327 WeakPolarHBondContact O-CB 3.44Å; L323-R327 WeakPolarHBondContact O-CG 3.41Å; L323-R327 PolarHBondContact O-N 2.88Å
324T36.6Very low32.6Very low51 Ų51110.1 Ų110.131%0.31355%0.549SS..Hα-helixtrans-107-7.7168.263.60000114.4L320 N321 E322 K328L320-T324 HydrophobicContact CD1-CG2 4.1Å; L320-T324 HydrophobicContact CG-CG2 4.09Å; L320-T324 WeakPolarHBondContact O-CA 2.9Å; L320-T324 WeakPolarHBondContact O-CB 3.21Å; L320-T324 WeakPolarHBondContact O-CG2 3.38Å; L320-T324 PolarHBondContact O-N 3.31Å; L320-T324 PolarHBondContact O-OG1 3.04Å; N321-T324 CarbonylContact O-C 3.18Å; N321-T324 PolarHBondContact O-N 2.94Å; E322-T324 VanDerWaalsContact C-N 3.26Å; E322-T324 PolarHBondContact O-N 2.92Å; T324-K328 WeakPolarHBondContact O-CB 3.08Å; T324-K328 WeakPolarHBondContact O-CG 3.33Å; T324-K328 PolarHBondContact O-N 3.37Å
325Q35.9Very low32.8Very low137 Ų137107.5 Ų107.564%0.6454%0.54SS*.Hα-helixtrans-81.4-40.6157.3-75.8-175.1-6.700110.1N321 E322 K328 L329N321-Q325 WeakPolarHBondContact O-CB 3.47Å; N321-Q325 WeakPolarHBondContact O-CG 3.46Å; N321-Q325 PolarHBondContact O-N 3.07Å; E322-Q325 PolarHBondContact O-N 3.36Å; Q325-K328 PolarHBondContact O-N 3.4Å; Q325-L329 PolarHBondContact O-N 3.28Å
326Q32.8Very low32.9Very low118 Ų118106.6 Ų106.655%0.55153%0.531SS*.Hα-helixtrans-70.7-42.8169.8-68.5-176.2-4.800111.6E322 K328 L329 I330E322-Q326 VanDerWaalsContact O-CB 3.3Å; E322-Q326 WeakPolarHBondContact O-CB 3.47Å; E322-Q326 WeakPolarHBondContact O-CG 3.45Å; E322-Q326 PolarHBondContact O-N 3.04Å; Q326-K328 VanDerWaalsContact C-N 3.28Å; Q326-K328 PolarHBondContact O-N 3.34Å; Q326-L329 PolarHBondContact O-N 3Å; Q326-I330 VanDerWaalsContact O-CB 3.22Å; Q326-I330 WeakPolarHBondContact O-CB 3.32Å; Q326-I330 WeakPolarHBondContact O-CG1 3.2Å; Q326-I330 PolarHBondContact O-N 3.4Å
327R34.2Very low32.8Very low161 Ų161103.8 Ų103.861%0.60853%0.527SS*.Hα-helixtrans-69.1-17.6166.1-74.8175.2121.6172.51.8113.7L323 L331L323-R327 WeakPolarHBondContact O-CA 3.45Å; L323-R327 WeakPolarHBondContact O-CB 3.44Å; L323-R327 WeakPolarHBondContact O-CG 3.41Å; L323-R327 PolarHBondContact O-N 2.88Å; R327-L331 HydrophobicContact CB-CD1 4.13Å; R327-L331 HydrophobicContact CB-CG 4.39Å; R327-L331 WeakPolarHBondContact O-CA 3.27Å; R327-L331 WeakPolarHBondContact O-CB 3.18Å; R327-L331 WeakPolarHBondContact O-CD1 3.46Å; R327-L331 WeakPolarHBondContact O-CG 3.35Å; R327-L331 PolarHBondContact O-N 3.1Å
328K35.1Very low32.6Very low137 Ų137104 Ų10460%0.59653%0.532SS*.Hα-helixtrans-77-44.6167.3-89.2179.1172.7-172.80111.4T324 Q325 Q326 I330 L331 D332T324-K328 WeakPolarHBondContact O-CB 3.08Å; T324-K328 WeakPolarHBondContact O-CG 3.33Å; T324-K328 PolarHBondContact O-N 3.37Å; Q325-K328 PolarHBondContact O-N 3.4Å; Q326-K328 VanDerWaalsContact C-N 3.28Å; Q326-K328 PolarHBondContact O-N 3.34Å; K328-I330 VanDerWaalsContact C-N 3.29Å; K328-I330 PolarHBondContact O-N 3.03Å; K328-L331 PolarHBondContact O-N 2.75Å; K328-D332 WeakPolarHBondContact O-CA 3.16Å; K328-D332 WeakPolarHBondContact O-CB 3.25Å; K328-D332 PolarHBondContact O-N 3.38Å; K328-D332 VanDerWaalsContact O-OD2 3.08Å
329L32.5Very low32.3Very low125 Ų125104.1 Ų104.165%0.65453%0.533SS*.Hα-helixtrans-61.5-38.9172.7-81.6155.9000112.1Q325 Q326 M333Q325-L329 PolarHBondContact O-N 3.28Å; Q326-L329 PolarHBondContact O-N 3Å; L329-M333 WeakPolarHBondContact O-CB 3.42Å; L329-M333 VanDerWaalsContact O-CG 3.28Å; L329-M333 WeakPolarHBondContact O-CG 3.27Å; L329-M333 PolarHBondContact O-N 2.84Å
330I35.4Very low32.3Very low83 Ų83105.6 Ų105.643%0.42654%0.541SS..Hα-helixtrans-77.1-43.9178.5-65.1165.9000111.2Q326 K328 M333 E334Q326-I330 VanDerWaalsContact O-CB 3.22Å; Q326-I330 WeakPolarHBondContact O-CB 3.32Å; Q326-I330 WeakPolarHBondContact O-CG1 3.2Å; Q326-I330 PolarHBondContact O-N 3.4Å; K328-I330 VanDerWaalsContact C-N 3.29Å; K328-I330 PolarHBondContact O-N 3.03Å; I330-M333 CarbonylContact O-C 3.43Å; I330-M333 PolarHBondContact O-N 3.17Å; I330-E334 VanDerWaalsContact CG2-CD 3.5Å; I330-E334 HydrophobicContact CG2-CG 4.11Å; I330-E334 VanDerWaalsContact O-CB 3.29Å; I330-E334 WeakPolarHBondContact O-CB 3.49Å; I330-E334 VanDerWaalsContact O-CG 3.29Å; I330-E334 WeakPolarHBondContact O-CG 3.17Å; I330-E334 PolarHBondContact O-N 2.84Å
331L34.6Very low32Very low68 Ų68106.7 Ų106.736%0.35655%0.547SS..Hα-helixtrans-74.2-30.2175.1-64.4168000113R327 K328 M333 E334 D335R327-L331 HydrophobicContact CB-CD1 4.13Å; R327-L331 HydrophobicContact CB-CG 4.39Å; R327-L331 WeakPolarHBondContact O-CA 3.27Å; R327-L331 WeakPolarHBondContact O-CB 3.18Å; R327-L331 WeakPolarHBondContact O-CD1 3.46Å; R327-L331 WeakPolarHBondContact O-CG 3.35Å; R327-L331 PolarHBondContact O-N 3.1Å; K328-L331 PolarHBondContact O-N 2.75Å; L331-M333 PolarHBondContact O-N 2.73Å; L331-E334 PolarHBondContact O-N 3.36Å; L331-D335 WeakPolarHBondContact O-CA 3.31Å; L331-D335 WeakPolarHBondContact O-CB 3.02Å; L331-D335 PolarHBondContact O-N 3.36Å
332D32.9Very low31.5Very low92 Ų92106 Ų10649%0.49254%0.54SS..Hα-helixtrans-71.8-15.4172.3-65.7-36.8000110.7K328 Q336K328-D332 WeakPolarHBondContact O-CA 3.16Å; K328-D332 WeakPolarHBondContact O-CB 3.25Å; K328-D332 PolarHBondContact O-N 3.38Å; K328-D332 VanDerWaalsContact O-OD2 3.08Å; D332-Q336 VanDerWaalsContact O-CB 3.28Å; D332-Q336 WeakPolarHBondContact O-CB 3.37Å; D332-Q336 WeakPolarHBondContact O-CG 3.41Å; D332-Q336 PolarHBondContact O-NE2 3.39Å
333M29.5Very low31.1Very low139 Ų139105.4 Ų105.469%0.68554%0.538SS*.Hα-helixtrans-94.3-34.8166.6-68.5-138.1-62.700113.5L329 I330 L331 T337L329-M333 WeakPolarHBondContact O-CB 3.42Å; L329-M333 VanDerWaalsContact O-CG 3.28Å; L329-M333 WeakPolarHBondContact O-CG 3.27Å; L329-M333 PolarHBondContact O-N 2.84Å; I330-M333 CarbonylContact O-C 3.43Å; I330-M333 PolarHBondContact O-N 3.17Å; L331-M333 PolarHBondContact O-N 2.73Å; M333-T337 PolarHBondContact O-N 3.32Å; M333-T337 PolarHBondContact O-OG1 2.75Å
334E30.2Very low30.9Very low109 Ų109106.2 Ų106.251%0.50954%0.542SS..Hα-helixtrans-78.6-42.6178.3-72.7177.8165.700112I330 L331 Q336 T337 A338I330-E334 VanDerWaalsContact CG2-CD 3.5Å; I330-E334 HydrophobicContact CG2-CG 4.11Å; I330-E334 VanDerWaalsContact O-CB 3.29Å; I330-E334 WeakPolarHBondContact O-CB 3.49Å; I330-E334 VanDerWaalsContact O-CG 3.29Å; I330-E334 WeakPolarHBondContact O-CG 3.17Å; I330-E334 PolarHBondContact O-N 2.84Å; L331-E334 PolarHBondContact O-N 3.36Å; E334-Q336 VanDerWaalsContact C-N 3.29Å; E334-Q336 PolarHBondContact O-N 3.25Å; E334-T337 CarbonylContact O-C 3.5Å; E334-T337 PolarHBondContact O-N 3.24Å; E334-T337 PolarHBondContact O-OG1 3.34Å; E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.46Å; E334-A338 PolarHBondContact O-N 2.97Å
335D32Very low30.3Very low89 Ų89110 Ų11048%0.47656%0.559SS.*Hα-helixtrans-68.3-26.6169.4-75.4-38.3000111.5L331 T337 S339L331-D335 WeakPolarHBondContact O-CA 3.31Å; L331-D335 WeakPolarHBondContact O-CB 3.02Å; L331-D335 PolarHBondContact O-N 3.36Å; D335-T337 PolarHBondContact O-N 3.16Å; D335-S339 WeakPolarHBondContact O-CB 3.21Å; D335-S339 PolarHBondContact O-N 3.48Å; D335-S339 PolarHBondContact O-OG 2.91Å
336Q30.9Very low29.8Very low134 Ų134107.4 Ų107.463%0.62656%0.557SS**Hα-helixtrans-68.1-17.8168.6-86.8-176.663.200113.3D332 E334 N340D332-Q336 VanDerWaalsContact O-CB 3.28Å; D332-Q336 WeakPolarHBondContact O-CB 3.37Å; D332-Q336 WeakPolarHBondContact O-CG 3.41Å; D332-Q336 PolarHBondContact O-NE2 3.39Å; E334-Q336 VanDerWaalsContact C-N 3.29Å; E334-Q336 PolarHBondContact O-N 3.25Å; Q336-N340 PolarHBondContact O-ND2 2.96Å
337T27.5Very low29.3Very low101 Ų101105.5 Ų105.562%0.6255%0.554SS**Hα-helixtrans-100.2-32.5171.751.70000112.7M333 E334 D335M333-T337 PolarHBondContact O-N 3.32Å; M333-T337 PolarHBondContact O-OG1 2.75Å; E334-T337 CarbonylContact O-C 3.5Å; E334-T337 PolarHBondContact O-N 3.24Å; E334-T337 PolarHBondContact O-OG1 3.34Å; D335-T337 PolarHBondContact O-N 3.16Å
338A27.8Very low28.8Very low62 Ų6299.8 Ų99.851%0.51255%0.545SS..Hα-helixtrans-84.3-35.8-179.100000114.4E334 N340 L341E334-A338 VanDerWaalsContact O-CB 3.31Å; E334-A338 WeakPolarHBondContact O-CB 3.46Å; E334-A338 PolarHBondContact O-N 2.97Å; A338-N340 VanDerWaalsContact C-N 3.26Å; A338-N340 PolarHBondContact O-N 2.72Å; A338-L341 PolarHBondContact O-N 3.17Å
339S28.1Very low28.4Very low81 Ų81102.5 Ų102.557%0.56655%0.553SS**G310 helixtrans-72-19.2179.7690000113.5D335 L341D335-S339 WeakPolarHBondContact O-CB 3.21Å; D335-S339 PolarHBondContact O-N 3.48Å; D335-S339 PolarHBondContact O-OG 2.91Å; S339-L341 PolarHBondContact O-N 3.37Å
340N28.3Very low27.9Very low133 Ų133100.9 Ų100.971%0.71155%0.551SS**G310 helixtrans-68.2-1.1177-92.1-49.4000114.2Q336 A338Q336-N340 PolarHBondContact O-ND2 2.96Å; A338-N340 VanDerWaalsContact C-N 3.26Å; A338-N340 PolarHBondContact O-N 2.72Å
341L25Very low27.4Very low113 Ų113101.9 Ų101.959%0.59256%0.561SS**G310 helixtrans-115.80.7-172.7-81.2167.5000116.5A338 S339 K627A338-L341 PolarHBondContact O-N 3.17Å; S339-L341 PolarHBondContact O-N 3.37Å; L341-K627 WeakPolarHBondContact O-CE 3.34Å; L341-K627 PolarHBondContact O-NZ 3.44Å
342E24.6Very low26.9Very low87 Ų87106.5 Ų106.541%0.40759%0.586SS.*SBendtrans-152.6147.2170.6-122.9148-9300114.6H625 K627E342-H625 WeakPolarHBondContact OE2-CA 3.47Å; E342-H625 IonicContact OE2-CG 2.73Å; E342-H625 IonicContact OE2-ND1 2.66Å; E342-H625 PolarHBondContact OE2-ND1 3.2Å; E342-K627 WeakPolarHBondContact OE1-CE 3.35Å; E342-K627 IonicContact OE1-NZ 2.69Å
343E25.8Very low26.5Very low109 Ų109107.1 Ų107.151%0.50960%0.597SS.*SBendtrans55.699.6-179.4-63.5-144.3146.100115.8R655E343-R655 IonicContact OE1-CZ 3.85Å; E343-R655 IonicContact OE1-NH1 3.7Å; E343-R655 PolarHBondContact OE1-NH1 3.49Å; E343-R655 VanDerWaalsContact OE1-NH1 3.09Å; E343-R655 IonicContact OE1-NH2 3.35Å; E343-R655 PolarHBondContact OE1-NH2 3.46Å
344N28.6Very low26.2Very low101 Ų101108 Ų10854%0.5460%0.6SS.*  cis-162.7108.733.5-75.3-73.5000113.7S346N344-S346 PolarHBondContact O-N 3.17Å
345I24.5Very low26Very low131 Ų131109 Ų10967%0.67261%0.609SS**  trans-74.2113.1145.8-18.282.4000108.4K659I345-K659 HydrophobicContact CG2-CD 4.39Å; I345-K659 PolarHBondContact O-NZ 2.86Å
346S25.3Very low25.8Very low83 Ų83109.2 Ų109.258%0.5861%0.61SS**  trans-123.7117.1162.654.10000107.6N344 G348N344-S346 PolarHBondContact O-N 3.17Å; S346-G348 PolarHBondContact O-N 3.29Å
347P22.6Very low25.5Very low77 Ų77111.1 Ų111.150%0.562%0.616SS.*SBendtrans-69.2127-17327.7-33.6000110.6Y663P347-Y663 HydrophobicContact CG-CE1 3.93Å
348G24.1Very low25.4Very low41 Ų41113.9 Ų113.942%0.42363%0.625SS.*  trans-170.4-46.5-177.100000116S346 C350 K693S346-G348 PolarHBondContact O-N 3.29Å; G348-C350 VanDerWaalsContact C-N 3.35Å; G348-C350 PolarHBondContact O-N 3.15Å; G348-K693 PolarHBondContact O-NZ 3.16Å
349Y25.9Very low25.2Very low194 Ų194117.5 Ų117.576%0.76164%0.635SS**  trans-75.478.6-175.3-68.1-73.3000113.3
350C22.9Very low24.9Very low91 Ų91119.3 Ų119.362%0.61564%0.643SS**  trans-142.1156.3165.5-68.10000108.9G348 K693G348-C350 VanDerWaalsContact C-N 3.35Å; G348-C350 PolarHBondContact O-N 3.15Å; C350-K693 PolarHBondContact O-NZ 3.29Å
351T23.3Very low24.7Very low104 Ų104120.4 Ų120.464%0.63865%0.647SS**  trans71.5119.1-166.774.10000112.9
352L24.2Very low24.6Very low166 Ų166122.3 Ų122.387%0.86966%0.657SS**SBendcis-126.6160.22.9-5592.1000109.6
353S25.5Very low24.5Very low105 Ų105127.1 Ų127.173%0.73468%0.678SS**  cis-137.1165.610.258.70000113.6
354E23.4Very low24.4Very low157 Ų157125.9 Ų125.973%0.73468%0.682SS**  trans-57.9163165.8-56.9103.2-154.600112.1
355D26.3Very low24Very low131 Ų131129.6 Ų129.670%0.70170%0.702SS**  cis-156.6164.310.4-145.2-6000115.8
356N26.2Very low23.9Very low92 Ų92129.1 Ų129.149%0.49270%0.701SS.*  trans64.7103.2153.4-70.3-58.7000123.5
357K25.5Very low23.7Very low174 Ų174133.2 Ų133.276%0.75772%0.716SS**  75.6150.1121.3-66.9166.3179.3132.80120.5
358I25.3Very low23.7Very low160 Ų160133 Ų13382%0.82173%0.728SS**  trans66.8127.3174.6-55160.7000112
359L23.3Very low23.6Very low138 Ų138138.8 Ų138.872%0.72375%0.748SS**  cis167.5143.9-18-112.9157.5000103.2
360T22.4Very low23.4Very low118 Ų118134.8 Ų134.872%0.72474%0.744SS**  trans63.7141.4164.258.40000119.4
361I24.5Very low23.4Very low156 Ų156139 Ų13980%0.875%0.754SS**SBendtrans65.3109.4171.7-46.5157.9000113.1
362I22.3Very low23.4Very low154 Ų154139 Ų13979%0.7976%0.756SS**SBendcis-122.9109.622.6-56.8161.6000110.1
363H22.5Very low23.2Very low187 Ų187136.8 Ų136.887%0.86675%0.754SS**  trans-162.183.9165.3-108.1-56.4000109.4
364S23.1Very low23Very low83 Ų83138.6 Ų138.658%0.5876%0.756SS**  trans-178.2102.4164.646.70000109.5
365N21.8Very low22.9Very low180 Ų180139 Ų13996%0.96376%0.757SS**  trans-92.753.7144.7-89.715.4000106.6
366D21.2Very low22.7Very low121 Ų121137.9 Ų137.965%0.64776%0.755SS**  trans-114.6125-179.3-59.2-51.6000108
367D21.7Very low22.6Very low169 Ų169140.1 Ų140.190%0.90477%0.767SS**  trans48.1113.5155-55.2-26.4000120.5
368G22.5Very low22.5Very low73 Ų73138.5 Ų138.575%0.75377%0.766SS**  trans-149.49.7-172.600000120.2
369L21.9Very low22.4Very low162 Ų162137 Ų13785%0.84876%0.76SS**  trans60.5132.1160.9-67164.3000121.3
370V21.9Very low22.3Very low109 Ų109138.4 Ų138.466%0.66176%0.762SS**  trans74.2142134.3168.50000117.3
371H22.6Very low22.4Very low179 Ų179139.1 Ų139.183%0.82977%0.767SS**  cis-122.8162.620.4-98.4-74.3000114.9
372P23.4Very low22.3Very low106 Ų106136.3 Ų136.369%0.68876%0.761SS**  trans-94.7157.4166.538.2-32.4000112.8
373S20.7Very low22.5Very low118 Ų118138.4 Ų138.483%0.82576%0.76SS**  trans-167.7148.2140.443.90000112
374N21Very low22.6Very low143 Ų143136.9 Ų136.977%0.76575%0.753SS**  trans-66.4141.9169.8-49.3-50.8000110
375H21.9Very low22.6Very low166 Ų166139.3 Ų139.377%0.76976%0.759SS**  -171.1127.8107.5-91.3-71.3000106
376V21.7Very low22.8Very low108 Ų108141.2 Ų141.266%0.65576%0.758SS**  53114.379.7179.90000110.7
377N23.7Very low22.9Very low139 Ų139139.5 Ų139.574%0.74376%0.756SS**  trans32.8117.7160.9-51.5-4.8000117.6
378D23.1Very low22.9Very low139 Ų139138.1 Ų138.174%0.74375%0.753SS**  -174.5146.7111.5-99.5-10.9000113.3
379L23Very low23Very low130 Ų130141.1 Ų141.168%0.68175%0.752SS**  trans51.6145.7142.7-50.2168.8000119.9
380E21.6Very low23.1Very low167 Ų167141.5 Ų141.578%0.7875%0.751SS**  cis-155.4156.1-13-127.4169.4170.600112.4
381T24.3Very low23.2Very low132 Ų132142.3 Ų142.381%0.8176%0.756SS**  trans-59.1138.2-177.749.20000117.4
382S22.6Very low23.3Very low98 Ų98137 Ų13769%0.68575%0.751SS**  trans-161.7146.6136.565.20000109.3
383Y26.9Very low23.5Very low198 Ų198139.6 Ų139.678%0.77676%0.759SS**SBendcis-128158.69.4-89-95.1000113.2
384H25Very low23.6Very low155 Ų155143 Ų14372%0.71876%0.761SS**  trans-2.4116.9174.4-52.9-56.7000119.6
385I22.6Very low23.9Very low134 Ų134139 Ų13969%0.68775%0.754SS**  64.4109.668.6-58.6169.1000113.7S387I385-S387 WeakPolarHBondContact CG2-OG 3.23Å
386K25.9Very low24.3Very low219 Ų219138.4 Ų138.495%0.95276%0.756SS**  trans-129.279.5142.3-127.2-174.8-173.5-177.70109.7
387S22.2Very low24.5Very low86 Ų86142.4 Ų142.460%0.60177%0.765SS**  trans-77.1144.2175.651.80000112I385I385-S387 WeakPolarHBondContact CG2-OG 3.23Å
388V23.6Very low24.8Very low139 Ų139141.9 Ų141.984%0.84276%0.761SS**  trans-131.391146.5-177.10000108
389N24.2Very low25Very low137 Ų137141.8 Ų141.873%0.73376%0.76SS**  trans-91.7126.3161.1-91.1-14.5000108.1
390M22.4Very low25.3Very low169 Ų169142.9 Ų142.983%0.83376%0.762SS**  trans-148.1115.8156.9-64.7-64.6-108.100104.9
391V25.6Very low25.6Very low126 Ų126144.2 Ų144.276%0.76476%0.761SS**  cis56.799.218.3-169.50000111.5
392G24.4Very low25.8Very low69 Ų69143.1 Ų143.171%0.71175%0.75SS**  trans176.186.3-175.400000114.1H394G392-H394 PolarHBondContact O-N 3.22Å; G392-H394 VanDerWaalsContact O-N 3.1Å
393N26.5Very low26.1Very low160 Ų160144.4 Ų144.486%0.85675%0.749SS**  trans-29.198.7172-60.2-22000117.3
394H23.6Very low26.2Very low188 Ų188142.2 Ų142.287%0.8775%0.751SS**  trans-148.9126.7142.3-75.3-63.3000107.6G392G392-H394 PolarHBondContact O-N 3.22Å; G392-H394 VanDerWaalsContact O-N 3.1Å
395G27.9Very low26.4Very low61 Ų61143.9 Ų143.963%0.62976%0.759SS**  cis98.4105.39.600000111.1
396N28.7Very low26.5Very low152 Ų152142.5 Ų142.581%0.81376%0.759SS**  trans6672.1168.5-55.4-8.5000117.1
397K26.7Very low26.8Very low192 Ų192139.1 Ų139.184%0.83575%0.75SS**SBendtrans-163.8113.2144-107.4156.1-171.7175.40111.7
398I29.8Very low27.1Very low129 Ų129138.3 Ų138.366%0.66274%0.744SS**  trans66.588.1159.1-44.3154.4000115Q400I398-Q400 HydrophobicContact CG2-CB 4.01Å
399D27.7Very low27.3Very low137 Ų137137.7 Ų137.773%0.73373%0.734SS**  cis59.822.2-2.9-866000119.4
400Q29.2Very low27.7Very low152 Ų152139.9 Ų139.971%0.7174%0.738SS**  trans-138.56.6177.6-127.8174.710.200117.7I398I398-Q400 HydrophobicContact CG2-CB 4.01Å
401Y28.1Very low28.3Very low195 Ų195137.6 Ų137.677%0.76573%0.725SS**SBendtrans-13521.9174-80-76.2000114.3K428Y401-K428 WeakPolarHBondContact O-CD 3.45Å; Y401-K428 WeakPolarHBondContact O-CE 3.42Å; Y401-K428 PolarHBondContact O-NZ 3.45Å
402L28.1Very low28.7Very low110 Ų110136.9 Ų136.958%0.57671%0.711SS**  trans-60.2154.5167.2-85.9165.8000111.9K428L402-K428 VanDerWaalsContact CA-CE 3.48Å
403N28.5Very low29.1Very low124 Ų124139.2 Ų139.266%0.66371%0.706SS**  trans69114169-44.4-32.1000118.2
404N29.4Very low29.4Very low153 Ų153140.1 Ų140.182%0.81871%0.705SS**  160.6101.6123.7-79.2-16000115
405Q28.9Very low29.9Very low190 Ų190135.7 Ų135.789%0.88869%0.687SS**  trans62154.1149-63-162.5-5.600122.8
406P26.3Very low30Very low105 Ų105138.2 Ų138.268%0.68269%0.687SS**  trans-106.5165.1-170.941.2-34.4000115.1
407I30.3Very low30.1Very low148 Ų148136.2 Ų136.276%0.75969%0.685SS**  trans-127.7154.8-178.9-63-179.5000111.4Q411I407-Q411 VanDerWaalsContact CG2-OE1 3.24Å
408S28.9Very low30.5Very low69 Ų69130.1 Ų130.148%0.48367%0.666SS.*  trans-94.1155.6-151.982.10000118K410 Q411S408-K410 VanDerWaalsContact C-N 3.25Å; S408-K410 PolarHBondContact O-N 3.12Å; S408-K410 VanDerWaalsContact O-N 3.08Å; S408-Q411 PolarHBondContact O-N 3.11Å
409I27.7Very low30.9Very low125 Ų125126.7 Ų126.764%0.64165%0.649SS**G310 helixtrans-55.9-26.7-174.2-65165.4000114.5F412I409-F412 WeakPolarHBondContact O-CB 3.23Å; I409-F412 PolarHBondContact O-N 3.26Å
410K32.1Very low31.3Very low184 Ų184123.3 Ų123.380%0.863%0.63SS**G310 helixtrans-73.8-24.7-178.4-77.2-171179.3-177.50114.2S408 F412S408-K410 VanDerWaalsContact C-N 3.25Å; S408-K410 PolarHBondContact O-N 3.12Å; S408-K410 VanDerWaalsContact O-N 3.08Å; K410-F412 VanDerWaalsContact C-N 3.29Å
411Q36Very low31.7Very low121 Ų121120.5 Ų120.557%0.56562%0.62SS**G310 helixtrans-81.9-11.3177.5-73.3166.1-50.100112.6I407 S408 I413I407-Q411 VanDerWaalsContact CG2-OE1 3.24Å; S408-Q411 PolarHBondContact O-N 3.11Å; Q411-I413 PolarHBondContact O-N 2.75Å
412F33.8Very low32.4Very low110 Ų110118.3 Ų118.348%0.48262%0.621SS.*G310 helixtrans-76.8-1.2-177.8-131-89.2000114.6I409 K410 L420I409-F412 WeakPolarHBondContact O-CB 3.23Å; I409-F412 PolarHBondContact O-N 3.26Å; K410-F412 VanDerWaalsContact C-N 3.29Å; F412-L420 HydrophobicContact CD1-CD1 4.14Å; F412-L420 HydrophobicContact CE1-CD1 4.08Å; F412-L420 HydrophobicContact CE1-CD2 4.43Å; F412-L420 HydrophobicContact CE1-CG 4.4Å
413I33.6Very low32.8Very low118 Ų118118.8 Ų118.861%0.60562%0.623SS**G310 helixtrans-107.7-14.1-163.2-64.6173.5000113.1Q411Q411-I413 PolarHBondContact O-N 2.75Å
414H32.8Very low33.1Very low179 Ų179116.6 Ų116.683%0.82961%0.611SS**SBendtrans-133.614.6-170.4-83.8-68.1000115.7
415L32.8Very low33.4Very low95 Ų95114.9 Ų114.950%0.49760%0.601SS.*  trans-104147.2-179.8-73.2171.2000112.3D419L415-D419 HydrophobicContact CB-CB 4.32Å
416N30.8Very low33.6Very low115 Ų115109.2 Ų109.262%0.61558%0.583SS**  trans-70.9163.7-172.9-76.8-45.4000112.4S418 D419 L420N416-S418 PolarHBondContact O-N 3.1Å; N416-S418 VanDerWaalsContact O-N 3.11Å; N416-D419 PolarHBondContact N-OD2 3.13Å; N416-D419 PolarHBondContact O-N 3.15Å; N416-L420 PolarHBondContact O-N 3.06Å; N416-L420 VanDerWaalsContact O-N 3.1Å
417S30.8Very low33.8Very low110 Ų110110.3 Ų110.377%0.76959%0.59SS**THydrogen-bonded Turntrans-60-19.6177.551.90000114.1
418S34.7Very low33.9Very low63 Ų63107.8 Ų107.844%0.44157%0.573SS.*THydrogen-bonded Turntrans-68.3-44.6168.446.20000112.9N416 L421 L422N416-S418 PolarHBondContact O-N 3.1Å; N416-S418 VanDerWaalsContact O-N 3.11Å; S418-L421 VanDerWaalsContact O-CB 3.29Å; S418-L421 WeakPolarHBondContact O-CB 3.37Å; S418-L421 PolarHBondContact O-N 3.2Å; S418-L422 PolarHBondContact O-N 3.13Å
419D38.5Very low34Very low58 Ų58110.9 Ų110.931%0.3158%0.583SS.*Hα-helixtrans-88.4-36.6-162.8-42.7-28.4000109.9L415 N416 L421 L422 L423L415-D419 HydrophobicContact CB-CB 4.32Å; N416-D419 PolarHBondContact N-OD2 3.13Å; N416-D419 PolarHBondContact O-N 3.15Å; D419-L421 PolarHBondContact O-N 3.14Å; D419-L422 PolarHBondContact O-N 2.89Å; D419-L423 PolarHBondContact O-N 3.49Å
420L36.5Very low34.2Very low65 Ų65112.3 Ų112.334%0.3459%0.592SS.*Hα-helixtrans-58.3-29.2167.4-142.396.9000111.6F412 N416 L424F412-L420 HydrophobicContact CD1-CD1 4.14Å; F412-L420 HydrophobicContact CE1-CD1 4.08Å; F412-L420 HydrophobicContact CE1-CD2 4.43Å; F412-L420 HydrophobicContact CE1-CG 4.4Å; N416-L420 PolarHBondContact O-N 3.06Å; N416-L420 VanDerWaalsContact O-N 3.1Å; L420-L424 HydrophobicContact CD2-CD1 4.4Å; L420-L424 HydrophobicContact CG-CD1 4.48Å; L420-L424 WeakPolarHBondContact O-CD1 3.15Å; L420-L424 WeakPolarHBondContact O-CG 3.35Å
421L38.1Very low34Very low94 Ų94111 Ų11149%0.49259%0.593SS.*Hα-helixtrans-74.2-33.8179.8-146.385.8000112.7S418 D419 K462S418-L421 VanDerWaalsContact O-CB 3.29Å; S418-L421 WeakPolarHBondContact O-CB 3.37Å; S418-L421 PolarHBondContact O-N 3.2Å; D419-L421 PolarHBondContact O-N 3.14Å; L421-K462 HydrophobicContact CD2-CD 4.2Å; L421-K462 HydrophobicContact CG-CD 4.14Å; L421-K462 PolarHBondContact O-NZ 3.37Å
422L41.7Very low33.5Very low149 Ų149111.8 Ų111.878%0.7860%0.602SS**Hα-helixtrans-73.6-35.7-178-94.4152.2000112.7S418 D419 L424S418-L422 PolarHBondContact O-N 3.13Å; D419-L422 PolarHBondContact O-N 2.89Å; L422-L424 VanDerWaalsContact C-N 3.29Å; L422-L424 PolarHBondContact O-N 3.42Å
423L36.8Very low33Very low120 Ų120114.4 Ų114.463%0.62861%0.613SS**THydrogen-bonded Turntrans-78-8.7-178.4-121.5142.2000114.1D419D419-L423 PolarHBondContact O-N 3.49Å
424L34.4Very low32.6Very low78 Ų78115.4 Ų115.441%0.40862%0.62SS.*THydrogen-bonded Turntrans-117.321.5-166.2-78.3178.1000116.2L420 L422L420-L424 HydrophobicContact CD2-CD1 4.4Å; L420-L424 HydrophobicContact CG-CD1 4.48Å; L420-L424 WeakPolarHBondContact O-CD1 3.15Å; L420-L424 WeakPolarHBondContact O-CG 3.35Å; L422-L424 VanDerWaalsContact C-N 3.29Å; L422-L424 PolarHBondContact O-N 3.42Å
425L36.1Very low32.2Very low117 Ų117115.5 Ų115.561%0.61362%0.62SS**  trans-146.735.1164.6-85.3-166.3000113.7K462L425-K462 HydrophobicContact CB-CD 4.14Å; L425-K462 HydrophobicContact CD1-CB 4.1Å; L425-K462 HydrophobicContact CD1-CD 3.63Å; L425-K462 HydrophobicContact CD1-CG 3.67Å; L425-K462 HydrophobicContact CG-CD 4.04Å
426S33.6Very low32Very low71 Ų71118.3 Ų118.350%0.49763%0.634SS.*  trans-71.9144.5162.158.50000109.7K428S426-K428 PolarHBondContact O-N 3.09Å
427P29.6Very low31.9Very low127 Ų127122 Ų12283%0.82565%0.648SS**SBendtrans-78.213.3-153.7-17.933.3000116.6
428K31.7Very low31.9Very low95 Ų95121.6 Ų121.641%0.41364%0.636SS.*  trans-14134.8-147.8-63.4-174.749.6-96.40115.9Y401 L402 S426Y401-K428 WeakPolarHBondContact O-CD 3.45Å; Y401-K428 WeakPolarHBondContact O-CE 3.42Å; Y401-K428 PolarHBondContact O-NZ 3.45Å; L402-K428 VanDerWaalsContact CA-CE 3.48Å; S426-K428 PolarHBondContact O-N 3.09Å
429I32.4Very low31.8Very low134 Ų134122.6 Ų122.669%0.68764%0.637SS**SBendtrans-116.6-14.6178.2-66.9176.4000112.7
430N30.6Very low31.6Very low156 Ų156127 Ų12783%0.83465%0.649SS**SBendtrans-96.4-6-175.7-81.711.3000116.1
431N28.1Very low31.4Very low155 Ų155129.1 Ų129.183%0.82966%0.661SS**SBendtrans-124.570.3-178.5-75.36.1000111.8
432D25.3Very low31.3Very low138 Ų138130.8 Ų130.874%0.73866%0.664SS**SBendtrans-174172.3134-125.7-44.4000113.4
433K24.4Very low30.9Very low166 Ų166127.2 Ų127.272%0.72265%0.645SS**  trans-53144-172.2-57.1134.9-172.5157.40116.9
434N24.3Very low30.9Very low139 Ų139125 Ų12574%0.74363%0.633SS**  trans59.8143.7143.3-62.5-9.7000120.6
435H25.8Very low31Very low180 Ų180128.8 Ų128.883%0.83365%0.649SS**  trans5992.7171.8-59.5-76.7000117.5
436L27.8Very low30.8Very low154 Ų154132.1 Ų132.181%0.80666%0.658SS**  -168.6127.4116.2-102.5159.4000110.9I438L436-I438 PolarHBondContact O-N 2.94Å
437Q29.4Very low30.7Very low194 Ų194133.4 Ų133.491%0.90766%0.659SS**  trans-80.3115.7176.7-70.4171.7-60.600110.4
438I30.1Very low30.7Very low100 Ų100131.2 Ų131.251%0.51364%0.644SS.*  trans-124.8115.5161-61.7-179.5000107.2L436 W440 I443L436-I438 PolarHBondContact O-N 2.94Å; I438-W440 VanDerWaalsContact C-N 3.29Å; I438-W440 PolarHBondContact O-N 3.47Å; I438-I443 HydrophobicContact CG2-CD1 4.33Å
439D32.2Very low30.9Very low84 Ų84135.3 Ų135.345%0.44966%0.662SS.*  trans-70.880.9179.1-90.1-46.9000111N441 K442 I443D439-N441 PolarHBondContact O-N 2.96Å; D439-K442 HydrophobicContact CB-CB 3.84Å; D439-K442 HydrophobicContact CB-CD 3.77Å; D439-K442 HydrophobicContact CB-CG 3.81Å; D439-K442 PolarHBondContact O-N 2.98Å; D439-K442 WeakPolarHBondContact OD2-CD 3.45Å; D439-K442 VanDerWaalsContact OD2-CE 3.28Å; D439-K442 WeakPolarHBondContact OD2-CE 3.34Å; D439-K442 IonicContact OD2-NZ 3.51Å; D439-K442 PolarHBondContact OD2-NZ 3.46Å; D439-I443 PolarHBondContact O-N 3.41Å
440W33.9Very low31.1Very low151 Ų151135.1 Ų135.157%0.57266%0.663SS**Hα-helixtrans-50.8-37.8167-79.1101000111.2I438 K442 I443 I444I438-W440 VanDerWaalsContact C-N 3.29Å; I438-W440 PolarHBondContact O-N 3.47Å; W440-K442 VanDerWaalsContact C-N 3.29Å; W440-K442 PolarHBondContact O-N 2.89Å; W440-I443 PolarHBondContact O-N 3.48Å; W440-I444 HydrophobicContact CB-CD1 4.23Å; W440-I444 WeakPolarHBondContact O-CB 3.46Å; W440-I444 VanDerWaalsContact O-CG1 3.25Å; W440-I444 WeakPolarHBondContact O-CG1 3.32Å; W440-I444 PolarHBondContact O-N 3.03Å
441N32.6Very low31.2Very low109 Ų109131.1 Ų131.158%0.58364%0.641SS**Hα-helixtrans-59.3-32.4175-70.3-23.2000113.8D439 Q445D439-N441 PolarHBondContact O-N 2.96Å; N441-Q445 WeakPolarHBondContact O-CB 3.4Å; N441-Q445 WeakPolarHBondContact O-CG 3.21Å; N441-Q445 PolarHBondContact O-N 2.92Å
442K37Very low31.4Very low129 Ų129129.1 Ų129.156%0.56163%0.626SS**Hα-helixtrans-79.9-18.9175.5-71.9176.9-176.9146.70113.3D439 W440D439-K442 HydrophobicContact CB-CB 3.84Å; D439-K442 HydrophobicContact CB-CD 3.77Å; D439-K442 HydrophobicContact CB-CG 3.81Å; D439-K442 PolarHBondContact O-N 2.98Å; D439-K442 WeakPolarHBondContact OD2-CD 3.45Å; D439-K442 VanDerWaalsContact OD2-CE 3.28Å; D439-K442 WeakPolarHBondContact OD2-CE 3.34Å; D439-K442 IonicContact OD2-NZ 3.51Å; D439-K442 PolarHBondContact OD2-NZ 3.46Å; W440-K442 VanDerWaalsContact C-N 3.29Å; W440-K442 PolarHBondContact O-N 2.89Å
443I32.7Very low31.7Very low75 Ų75126.5 Ų126.539%0.38562%0.619SS.*Hα-helixtrans-85.3-46.8174.9-61172.3000109.3I438 D439 W440 Q445 K446 L447I438-I443 HydrophobicContact CG2-CD1 4.33Å; D439-I443 PolarHBondContact O-N 3.41Å; W440-I443 PolarHBondContact O-N 3.48Å; I443-Q445 VanDerWaalsContact C-N 3.32Å; I443-Q445 PolarHBondContact O-N 3.26Å; I443-K446 PolarHBondContact O-N 2.79Å; I443-L447 HydrophobicContact CG2-CD1 4.45Å; I443-L447 PolarHBondContact O-N 3.34Å
444I36.7Very low32.2Very low73 Ų73122.7 Ų122.737%0.37461%0.605SS.*Hα-helixtrans-59.6-41174.1-66164000110.6W440 K446 L447W440-I444 HydrophobicContact CB-CD1 4.23Å; W440-I444 WeakPolarHBondContact O-CB 3.46Å; W440-I444 VanDerWaalsContact O-CG1 3.25Å; W440-I444 WeakPolarHBondContact O-CG1 3.32Å; W440-I444 PolarHBondContact O-N 3.03Å; I444-K446 PolarHBondContact O-N 2.95Å; I444-K446 VanDerWaalsContact O-N 3.11Å; I444-L447 PolarHBondContact O-N 2.82Å
445Q37.6Very low32.6Very low158 Ų158122.4 Ų122.474%0.73860%0.603SS**THydrogen-bonded Turntrans-63.1-11.9172.4-79.8171.43.400115.3N441 I443N441-Q445 WeakPolarHBondContact O-CB 3.4Å; N441-Q445 WeakPolarHBondContact O-CG 3.21Å; N441-Q445 PolarHBondContact O-N 2.92Å; I443-Q445 VanDerWaalsContact C-N 3.32Å; I443-Q445 PolarHBondContact O-N 3.26Å
446K32.1Very low32.9Very low187 Ų187122.5 Ų122.581%0.81360%0.604SS**THydrogen-bonded Turntrans-108.7-6.2178.2-74.7-171.9174.5-1720114.2I443 I444I443-K446 PolarHBondContact O-N 2.79Å; I444-K446 PolarHBondContact O-N 2.95Å; I444-K446 VanDerWaalsContact O-N 3.11Å
447L30.5Very low33.3Very low98 Ų98123 Ų12351%0.51360%0.596SS.*SBendtrans-87.9140.9174.1-72.6164.6000110I443 I444 K449I443-L447 HydrophobicContact CG2-CD1 4.45Å; I443-L447 PolarHBondContact O-N 3.34Å; I444-L447 PolarHBondContact O-N 2.82Å; L447-K449 PolarHBondContact O-N 2.86Å
448P30.1Very low33.6Very low80 Ų80118.8 Ų118.852%0.51958%0.575SS.*  trans-66.8133.2174.127.8-33000109.9N450 I451P448-N450 PolarHBondContact O-N 3.19Å; P448-I451 HydrophobicContact CG-CD1 3.83Å; P448-I451 HydrophobicContact CG-CG1 4.33Å; P448-I451 PolarHBondContact O-N 3.1Å
449K34.4Very low33.7Very low182 Ų182117.9 Ų117.979%0.79159%0.591SS**THydrogen-bonded Turntrans-56.1-2.8-176.5-66.3-176.6173.5-176.30116.1L447L447-K449 PolarHBondContact O-N 2.86Å
450N36.8Very low33.8Very low130 Ų130117 Ų11770%0.69559%0.591SS**THydrogen-bonded Turntrans-87.2-2.5-177.1-60.31.8000113.2P448P448-N450 PolarHBondContact O-N 3.19Å
451I33.9Very low33.7Very low72 Ų72113.5 Ų113.537%0.36959%0.586SS.*SBendtrans-102.2-33-172.8-60.9178.4000113P448 S453 I454 L455P448-I451 HydrophobicContact CG-CD1 3.83Å; P448-I451 HydrophobicContact CG-CG1 4.33Å; P448-I451 PolarHBondContact O-N 3.1Å; I451-S453 VanDerWaalsContact C-N 3.28Å; I451-S453 PolarHBondContact O-N 3.39Å; I451-I454 WeakPolarHBondContact O-CB 3.34Å; I451-I454 PolarHBondContact O-N 3.14Å; I451-L455 HydrophobicContact CG2-CD1 4.33Å
452E31Very low34.1Very low113 Ų113111 Ų11153%0.52857%0.57SS.*Hα-helixtrans-59-39.1-176.1-65.1176.6128.100112.3I454 L455E452-I454 PolarHBondContact O-N 3.17Å; E452-L455 PolarHBondContact O-N 3.46Å
453S33.1Very low34.2Very low83 Ų83112.9 Ų112.958%0.5858%0.581SS**Hα-helixtrans-68.4-9.8178.258.60000115.1I451I451-S453 VanDerWaalsContact C-N 3.28Å; I451-S453 PolarHBondContact O-N 3.39Å
454I34.9Very low34.7Very low86 Ų86112.7 Ų112.744%0.44158%0.581SS.*Hα-helixtrans-90.9-27.3177-55.8177.4000110.5I451 E452I451-I454 WeakPolarHBondContact O-CB 3.34Å; I451-I454 PolarHBondContact O-N 3.14Å; E452-I454 PolarHBondContact O-N 3.17Å
455L31.7Very low34.9Very low133 Ų133112.6 Ų112.670%0.69658%0.579SS**Hα-helixtrans-81.6-30.1-171.3-69.8167.1000113.7I451 E452 Y457I451-L455 HydrophobicContact CG2-CD1 4.33Å; E452-L455 PolarHBondContact O-N 3.46Å; L455-Y457 PolarHBondContact O-N 3.43Å
456E33.6Very low34.9Very low182 Ų182112.7 Ų112.785%0.8558%0.577SS**THydrogen-bonded Turntrans-67-15.7172.9-65.7-170.513100113.4
457Y35.5Very low35.3Very low165 Ų165109.6 Ų109.665%0.64757%0.567SS**THydrogen-bonded Turntrans-87.8-4.9-168.1-139.7-88.1000115L455L455-Y457 PolarHBondContact O-N 3.43Å
458F35.1Very low36.4Very low105 Ų105108 Ų10846%0.46156%0.559SS.*  trans-129.654.2-171.1-69.2-81.7000113.6S460 K504F458-S460 PolarHBondContact O-N 3.46Å; F458-K504 HydrophobicContact CE1-CG 4.34Å
459G32.2Very low37.7Very low81 Ų81108.4 Ų108.484%0.83556%0.556SS**  trans-7190.3174.900000114
460S33.7Very low39Very low64 Ų64106.5 Ų106.545%0.44855%0.548SS..SBendtrans-167.4161159.610.30000109.3F458 Q465F458-S460 PolarHBondContact O-N 3.46Å; S460-Q465 PolarHBondContact O-NE2 2.95Å
461T33Very low40.7Very low79 Ų79104.9 Ų104.949%0.48554%0.538SS..  trans-70.7160.4-163.376.50000113.4Q463 D464 Q465T461-Q463 PolarHBondContact O-N 3.05Å; T461-D464 VanDerWaalsContact CB-OD2 3.26Å; T461-D464 WeakPolarHBondContact CB-OD2 3.28Å; T461-D464 WeakPolarHBondContact CG2-OD2 3.21Å; T461-D464 PolarHBondContact N-OD2 3.42Å; T461-D464 CarbonylContact O-C 3.29Å; T461-D464 WeakPolarHBondContact O-CA 3.33Å; T461-D464 WeakPolarHBondContact O-CB 3.41Å; T461-D464 PolarHBondContact O-N 2.83Å; T461-D464 VanDerWaalsContact O-N 3.09Å; T461-D464 PolarHBondContact OG1-N 3.29Å; T461-D464 PolarHBondContact OG1-OD2 3.03Å; T461-Q465 VanDerWaalsContact O-CG 3.27Å; T461-Q465 WeakPolarHBondContact O-CG 3.43Å; T461-Q465 PolarHBondContact O-N 3.16Å
462K41.3Very low42.3Very low56 Ų56102.5 Ų102.524%0.24353%0.527CS..Hα-helixtrans-62.8-24.4177.2-80.9-175.4-161.4164.90114.1L421 L425 Q465 F466L421-K462 HydrophobicContact CD2-CD 4.2Å; L421-K462 HydrophobicContact CG-CD 4.14Å; L421-K462 PolarHBondContact O-NZ 3.37Å; L425-K462 HydrophobicContact CB-CD 4.14Å; L425-K462 HydrophobicContact CD1-CB 4.1Å; L425-K462 HydrophobicContact CD1-CD 3.63Å; L425-K462 HydrophobicContact CD1-CG 3.67Å; L425-K462 HydrophobicContact CG-CD 4.04Å; K462-Q465 PolarHBondContact O-N 2.98Å; K462-F466 PolarHBondContact O-N 2.8Å
463Q39.1Very low44.5Very low169 Ų169100.3 Ų100.379%0.7952%0.518SS*.Hα-helixtrans-76.3-40.1172.8-73.7179.3-32.100110.9T461 Q465 F466 M467T461-Q463 PolarHBondContact O-N 3.05Å; Q463-Q465 PolarHBondContact O-N 2.78Å; Q463-F466 PolarHBondContact O-N 3.48Å; Q463-M467 PolarHBondContact O-N 3.42Å
464D43.5Very low46.7Very low70 Ų70100.3 Ų100.337%0.37451%0.512SS..Hα-helixtrans-59.3-37.4166.6-53.8-49.2000110.8T461 F466 M467 N468T461-D464 VanDerWaalsContact CB-OD2 3.26Å; T461-D464 WeakPolarHBondContact CB-OD2 3.28Å; T461-D464 WeakPolarHBondContact CG2-OD2 3.21Å; T461-D464 PolarHBondContact N-OD2 3.42Å; T461-D464 CarbonylContact O-C 3.29Å; T461-D464 WeakPolarHBondContact O-CA 3.33Å; T461-D464 WeakPolarHBondContact O-CB 3.41Å; T461-D464 PolarHBondContact O-N 2.83Å; T461-D464 VanDerWaalsContact O-N 3.09Å; T461-D464 PolarHBondContact OG1-N 3.29Å; T461-D464 PolarHBondContact OG1-OD2 3.03Å; D464-F466 PolarHBondContact O-N 3Å; D464-M467 CarbonylContact O-C 3.55Å; D464-M467 PolarHBondContact O-N 3.13Å; D464-N468 WeakPolarHBondContact O-CA 3.45Å; D464-N468 WeakPolarHBondContact O-CB 3.41Å; D464-N468 PolarHBondContact O-N 3.06Å; D464-N468 PolarHBondContact O-ND2 3.21Å; D464-N468 VanDerWaalsContact O-ND2 3.16Å
465Q40.9Very low48.9Very low72 Ų7298.9 Ų98.934%0.33650%0.503SS..Hα-helixtrans-63.9-39-177.1-72.3165.720.900113S460 T461 K462 Q463 N468 I469S460-Q465 PolarHBondContact O-NE2 2.95Å; T461-Q465 VanDerWaalsContact O-CG 3.27Å; T461-Q465 WeakPolarHBondContact O-CG 3.43Å; T461-Q465 PolarHBondContact O-N 3.16Å; K462-Q465 PolarHBondContact O-N 2.98Å; Q463-Q465 PolarHBondContact O-N 2.78Å; Q465-N468 PolarHBondContact O-N 3.49Å; Q465-I469 VanDerWaalsContact O-CG1 3.32Å; Q465-I469 WeakPolarHBondContact O-CG1 3.1Å; Q465-I469 PolarHBondContact O-N 2.94Å
466F37.6Very low51.2Low160 Ų16093.2 Ų93.270%0.70247%0.474SS*.Hα-helixtrans-73.7-35.7175.4-116.9-81.9000112.7K462 Q463 D464 K470K462-F466 PolarHBondContact O-N 2.8Å; Q463-F466 PolarHBondContact O-N 3.48Å; D464-F466 PolarHBondContact O-N 3Å; F466-K470 PolarHBondContact O-N 3.27Å
467M40.1Very low53.6Low122 Ų12289.7 Ų89.760%0.60146%0.457SS*.Hα-helixtrans-65.5-40169.6-76.4-70.6-78.400111.4Q463 D464 K470 L471Q463-M467 PolarHBondContact O-N 3.42Å; D464-M467 CarbonylContact O-C 3.55Å; D464-M467 PolarHBondContact O-N 3.13Å; M467-K470 CarbonylContact O-C 3.59Å; M467-K470 PolarHBondContact O-N 3Å; M467-L471 WeakPolarHBondContact O-CB 2.87Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.5Å; M467-L471 PolarHBondContact O-N 2.99Å
468N53.9Low55.8Low64 Ų6486.2 Ų86.234%0.34245%0.449SS..Hα-helixtrans-69.1-35.1179.2-77.5-28.1000111.8D464 Q465 L471 V472D464-N468 WeakPolarHBondContact O-CA 3.45Å; D464-N468 WeakPolarHBondContact O-CB 3.41Å; D464-N468 PolarHBondContact O-N 3.06Å; D464-N468 PolarHBondContact O-ND2 3.21Å; D464-N468 VanDerWaalsContact O-ND2 3.16Å; Q465-N468 PolarHBondContact O-N 3.49Å; N468-L471 PolarHBondContact O-N 3.33Å; N468-V472 WeakPolarHBondContact O-CB 3.25Å; N468-V472 WeakPolarHBondContact O-CG2 3.14Å; N468-V472 PolarHBondContact O-N 3.24Å
469I55.7Low58.1Low89 Ų8981.2 Ų81.246%0.45643%0.428SS..Hα-helixtrans-64.8-42.4171.9-71.3165.3000110.1Q465 V472 I473Q465-I469 VanDerWaalsContact O-CG1 3.32Å; Q465-I469 WeakPolarHBondContact O-CG1 3.1Å; Q465-I469 PolarHBondContact O-N 2.94Å; I469-V472 PolarHBondContact O-N 2.95Å; I469-I473 HydrophobicContact CG2-CD1 3.88Å; I469-I473 WeakPolarHBondContact O-CB 3.37Å; I469-I473 WeakPolarHBondContact O-CD1 3.36Å; I469-I473 VanDerWaalsContact O-CG1 3.22Å; I469-I473 WeakPolarHBondContact O-CG1 3.32Å; I469-I473 PolarHBondContact O-N 3.43Å
470K62.7Low60.6Low142 Ų14279.1 Ų79.162%0.61740%0.399SS*.Hα-helixtrans-64.3-44.3171.9-81.5-169.2172-174.90112.8F466 M467 V472 I473 N474F466-K470 PolarHBondContact O-N 3.27Å; M467-K470 CarbonylContact O-C 3.59Å; M467-K470 PolarHBondContact O-N 3Å; K470-V472 VanDerWaalsContact C-N 3.34Å; K470-V472 PolarHBondContact O-N 3.33Å; K470-I473 PolarHBondContact O-N 3.28Å; K470-N474 WeakPolarHBondContact O-CB 3.21Å; K470-N474 VanDerWaalsContact O-CG 3.29Å; K470-N474 PolarHBondContact O-N 3.11Å; K470-N474 PolarHBondContact O-OD1 2.99Å; K470-N474 VanDerWaalsContact O-OD1 3.13Å
471L71.5Confident62.8Low95 Ų9580 Ų8050%0.49740%0.396SS..Hα-helixtrans-64.2-37.6178-72.3165.5000111.9M467 N468 N474 E475M467-L471 WeakPolarHBondContact O-CB 2.87Å; M467-L471 VanDerWaalsContact O-CG 3.27Å; M467-L471 WeakPolarHBondContact O-CG 3.5Å; M467-L471 PolarHBondContact O-N 2.99Å; N468-L471 PolarHBondContact O-N 3.33Å; L471-N474 CarbonylContact O-C 3.29Å; L471-N474 PolarHBondContact O-N 3.45Å; L471-E475 VanDerWaalsContact O-CB 3.26Å; L471-E475 WeakPolarHBondContact O-CB 2.9Å; L471-E475 PolarHBondContact O-N 2.8Å
472V69.5Low65Low22 Ų2279.9 Ų79.913%0.13339%0.39CS..Hα-helixtrans-74.5-33.2176.3169.90000111.7N468 I469 K470 E475 I476 L501 I505N468-V472 WeakPolarHBondContact O-CB 3.25Å; N468-V472 WeakPolarHBondContact O-CG2 3.14Å; N468-V472 PolarHBondContact O-N 3.24Å; I469-V472 PolarHBondContact O-N 2.95Å; K470-V472 VanDerWaalsContact C-N 3.34Å; K470-V472 PolarHBondContact O-N 3.33Å; V472-E475 PolarHBondContact O-N 2.97Å; V472-I476 HydrophobicContact CG1-CD1 4.03Å; V472-I476 WeakPolarHBondContact O-CB 3.47Å; V472-I476 VanDerWaalsContact O-CG1 3.25Å; V472-I476 WeakPolarHBondContact O-CG1 3.41Å; V472-I476 PolarHBondContact O-N 3.26Å; V472-L501 HydrophobicContact CG1-CB 4.06Å; V472-L501 HydrophobicContact CG1-CD2 4.04Å; V472-L501 HydrophobicContact CG1-CG 4.44Å; V472-L501 HydrophobicContact CG2-CD2 4.42Å; V472-I505 HydrophobicContact CG1-CD1 4.09Å; V472-I505 HydrophobicContact CG1-CG1 4.02Å
473I76.9Confident66.9Low67 Ų6778.5 Ų78.534%0.34438%0.384SS..Hα-helixtrans-64.2-49.2169-71.6165.9000109.8I469 K470 E475 I476 E477 I505I469-I473 HydrophobicContact CG2-CD1 3.88Å; I469-I473 WeakPolarHBondContact O-CB 3.37Å; I469-I473 WeakPolarHBondContact O-CD1 3.36Å; I469-I473 VanDerWaalsContact O-CG1 3.22Å; I469-I473 WeakPolarHBondContact O-CG1 3.32Å; I469-I473 PolarHBondContact O-N 3.43Å; K470-I473 PolarHBondContact O-N 3.28Å; I473-E475 VanDerWaalsContact C-N 3.28Å; I473-E475 PolarHBondContact O-N 2.67Å; I473-I476 PolarHBondContact O-N 3.47Å; I473-I476 VanDerWaalsContact O-N 3.14Å; I473-E477 WeakPolarHBondContact O-CG 3.47Å; I473-E477 PolarHBondContact O-N 3.21Å; I473-I505 HydrophobicContact CG1-CD1 3.71Å
474N78.5Confident68.8Low83 Ų8376.5 Ų76.544%0.44438%0.379SS..Hα-helixtrans-59.8-36.1173.7-69.818.2000112.1K470 L471 E477 N478K470-N474 WeakPolarHBondContact O-CB 3.21Å; K470-N474 VanDerWaalsContact O-CG 3.29Å; K470-N474 PolarHBondContact O-N 3.11Å; K470-N474 PolarHBondContact O-OD1 2.99Å; K470-N474 VanDerWaalsContact O-OD1 3.13Å; L471-N474 CarbonylContact O-C 3.29Å; L471-N474 PolarHBondContact O-N 3.45Å; N474-E477 PolarHBondContact O-N 2.92Å; N474-N478 VanDerWaalsContact O-CB 3.26Å; N474-N478 WeakPolarHBondContact O-CB 3.31Å; N474-N478 PolarHBondContact O-N 2.89Å; N474-N478 PolarHBondContact O-ND2 3.26Å
475E80.2Confident70.1Confident56 Ų5681.3 Ų81.326%0.26239%0.392SS..Hα-helixtrans-68.9-38.4175.8-167-175.2179.100111.3L471 V472 I473 L479 R497 L501L471-E475 VanDerWaalsContact O-CB 3.26Å; L471-E475 WeakPolarHBondContact O-CB 2.9Å; L471-E475 PolarHBondContact O-N 2.8Å; V472-E475 PolarHBondContact O-N 2.97Å; I473-E475 VanDerWaalsContact C-N 3.28Å; I473-E475 PolarHBondContact O-N 2.67Å; E475-L479 HydrophobicContact CG-CD1 4.06Å; E475-L479 VanDerWaalsContact O-CB 3.24Å; E475-L479 WeakPolarHBondContact O-CB 3.42Å; E475-L479 WeakPolarHBondContact O-CD1 3.32Å; E475-L479 VanDerWaalsContact O-CG 3.23Å; E475-L479 WeakPolarHBondContact O-CG 3.26Å; E475-L479 PolarHBondContact O-N 3.4Å; E475-R497 IonicContact OE1-CZ 3.48Å; E475-R497 VanDerWaalsContact OE1-CZ 3.25Å; E475-R497 IonicContact OE1-NE 3.59Å; E475-R497 PolarHBondContact OE1-NE 3.02Å; E475-R497 IonicContact OE1-NH2 2.74Å; E475-R497 PolarHBondContact OE1-NH2 3Å; E475-L501 HydrophobicContact CB-CD1 4.08Å; E475-L501 HydrophobicContact CG-CD1 3.72Å
476I81.9Confident70.9Confident15 Ų1581.5 Ų81.58%0.07740%0.395CS..Hα-helixtrans-67.9-38.8172.7-73.3165.4000111.4V472 I473 T480 R498 L501 Y502 I505V472-I476 HydrophobicContact CG1-CD1 4.03Å; V472-I476 WeakPolarHBondContact O-CB 3.47Å; V472-I476 VanDerWaalsContact O-CG1 3.25Å; V472-I476 WeakPolarHBondContact O-CG1 3.41Å; V472-I476 PolarHBondContact O-N 3.26Å; I473-I476 PolarHBondContact O-N 3.47Å; I473-I476 VanDerWaalsContact O-N 3.14Å; I476-T480 WeakPolarHBondContact O-CB 3.47Å; I476-T480 PolarHBondContact O-N 3.28Å; I476-T480 PolarHBondContact O-OG1 2.93Å; I476-R498 HydrophobicContact CG1-CG 4.42Å; I476-R498 HydrophobicContact CG2-CG 4.28Å; I476-L501 HydrophobicContact CD1-CB 3.78Å; I476-L501 HydrophobicContact CG1-CB 3.65Å; I476-L501 HydrophobicContact CG1-CD1 3.89Å; I476-L501 HydrophobicContact CG1-CG 4.45Å; I476-Y502 HydrophobicContact CD1-CD1 3.96Å; I476-Y502 HydrophobicContact CD1-CE1 4.19Å; I476-Y502 HydrophobicContact CG2-CE1 3.71Å; I476-I505 HydrophobicContact CD1-CD1 3.45Å; I476-I505 VanDerWaalsContact CD1-CD1 3.45Å; I476-I505 HydrophobicContact CD1-CG1 4.18Å
477E83.2Confident71.8Confident108 Ų10878.9 Ų78.951%0.50540%0.397SS..Hα-helixtrans-66.4-45.7174.9-74.6177.8-168.300110.9I473 N474 T480 Q481I473-E477 WeakPolarHBondContact O-CG 3.47Å; I473-E477 PolarHBondContact O-N 3.21Å; N474-E477 PolarHBondContact O-N 2.92Å; E477-T480 PolarHBondContact O-N 3.06Å; E477-Q481 WeakPolarHBondContact O-CG 3.42Å; E477-Q481 PolarHBondContact O-N 3.49Å
478N82.2Confident72.4Confident91 Ų9177.9 Ų77.949%0.48740%0.402SS..Hα-helixtrans-59.9-49.4173.2-73.5-21.1000111.4N474 T480 Q481 E482N474-N478 VanDerWaalsContact O-CB 3.26Å; N474-N478 WeakPolarHBondContact O-CB 3.31Å; N474-N478 PolarHBondContact O-N 2.89Å; N474-N478 PolarHBondContact O-ND2 3.26Å; N478-T480 VanDerWaalsContact C-N 3.25Å; N478-T480 PolarHBondContact O-N 3.11Å; N478-Q481 CarbonylContact O-C 3.56Å; N478-Q481 WeakPolarHBondContact O-CA 3.41Å; N478-Q481 WeakPolarHBondContact O-CB 3.27Å; N478-Q481 PolarHBondContact O-N 3.31Å; N478-Q481 VanDerWaalsContact O-N 3.11Å; N478-E482 WeakPolarHBondContact O-CG 3.41Å; N478-E482 PolarHBondContact O-N 2.92Å
479L82.6Confident72.9Confident1 Ų181.5 Ų81.51%0.00543%0.427CS..Hα-helixtrans-62.9-31.9176-77.4163.7000112.3E475 E482 I483 R497 L501E475-L479 HydrophobicContact CG-CD1 4.06Å; E475-L479 VanDerWaalsContact O-CB 3.24Å; E475-L479 WeakPolarHBondContact O-CB 3.42Å; E475-L479 WeakPolarHBondContact O-CD1 3.32Å; E475-L479 VanDerWaalsContact O-CG 3.23Å; E475-L479 WeakPolarHBondContact O-CG 3.26Å; E475-L479 PolarHBondContact O-N 3.4Å; L479-E482 PolarHBondContact O-N 2.86Å; L479-I483 VanDerWaalsContact O-CB 3.25Å; L479-I483 WeakPolarHBondContact O-CB 3.43Å; L479-I483 WeakPolarHBondContact O-CD1 3.33Å; L479-I483 WeakPolarHBondContact O-CG1 3.47Å; L479-I483 PolarHBondContact O-N 2.75Å; L479-R497 HydrophobicContact CD1-CB 4.4Å; L479-R497 HydrophobicContact CD1-CG 3.77Å; L479-R497 HydrophobicContact CD2-CG 4.46Å; L479-L501 HydrophobicContact CD1-CD1 3.54Å
480T84.4Confident73.7Confident36 Ų3684.9 Ų84.922%0.22143%0.434CS..Hα-helixtrans-73.5-34.1174.9-61.40000111.2I476 E477 N478 N484 R498I476-T480 WeakPolarHBondContact O-CB 3.47Å; I476-T480 PolarHBondContact O-N 3.28Å; I476-T480 PolarHBondContact O-OG1 2.93Å; E477-T480 PolarHBondContact O-N 3.06Å; N478-T480 VanDerWaalsContact C-N 3.25Å; N478-T480 PolarHBondContact O-N 3.11Å; T480-N484 VanDerWaalsContact O-CB 3.22Å; T480-N484 WeakPolarHBondContact O-CB 3.12Å; T480-N484 PolarHBondContact O-N 3.23Å; T480-N484 PolarHBondContact O-ND2 2.93Å; T480-N484 PolarHBondContact O-OD1 3.44Å; T480-R498 VanDerWaalsContact OG1-CD 3.31Å; T480-R498 WeakPolarHBondContact OG1-CD 3.23Å; T480-R498 PolarHBondContact OG1-NH1 2.92Å
481Q80.4Confident74.7Confident84 Ų8480.3 Ų80.339%0.39342%0.416SS..Hα-helixtrans-66.4-40.5167.5-69-178.442.500112.1E477 N478 N484 R485E477-Q481 WeakPolarHBondContact O-CG 3.42Å; E477-Q481 PolarHBondContact O-N 3.49Å; N478-Q481 CarbonylContact O-C 3.56Å; N478-Q481 WeakPolarHBondContact O-CA 3.41Å; N478-Q481 WeakPolarHBondContact O-CB 3.27Å; N478-Q481 PolarHBondContact O-N 3.31Å; N478-Q481 VanDerWaalsContact O-N 3.11Å; Q481-N484 PolarHBondContact O-N 2.93Å; Q481-R485 WeakPolarHBondContact O-CB 3.38Å; Q481-R485 WeakPolarHBondContact O-CG 3.41Å; Q481-R485 PolarHBondContact O-N 3.31Å
482E79.5Confident75.2Confident76 Ų7676 Ų7636%0.35539%0.394SS..Hα-helixtrans-65.2-47.5176.3-72.3178165.300111.5N478 L479 N484 R485 N486N478-E482 WeakPolarHBondContact O-CG 3.41Å; N478-E482 PolarHBondContact O-N 2.92Å; L479-E482 PolarHBondContact O-N 2.86Å; E482-N484 VanDerWaalsContact C-N 3.27Å; E482-N484 PolarHBondContact O-N 3.43Å; E482-R485 PolarHBondContact O-N 2.92Å; E482-N486 VanDerWaalsContact O-CB 3.26Å; E482-N486 WeakPolarHBondContact O-CB 3.44Å; E482-N486 PolarHBondContact O-N 2.88Å
483I81.7Confident75.9Confident26 Ų2679.3 Ų79.313%0.13341%0.407CS..Hα-helixtrans-60.5-35.7174.9-72.7164.1000111.5L479 L491 D494 L495 R498L479-I483 VanDerWaalsContact O-CB 3.25Å; L479-I483 WeakPolarHBondContact O-CB 3.43Å; L479-I483 WeakPolarHBondContact O-CD1 3.33Å; L479-I483 WeakPolarHBondContact O-CG1 3.47Å; L479-I483 PolarHBondContact O-N 2.75Å; I483-L491 HydrophobicContact CG1-CD1 4.36Å; I483-L491 HydrophobicContact CG2-CD1 3.93Å; I483-D494 HydrophobicContact CD1-CB 4.38Å; I483-D494 HydrophobicContact CG1-CB 4.01Å; I483-L495 HydrophobicContact CD1-CD2 4.1Å; I483-L495 HydrophobicContact CD1-CG 4.44Å; I483-R498 HydrophobicContact CD1-CB 4.26Å
484N79Confident76.4Confident127 Ų12776.3 Ų76.368%0.67939%0.391SS*.Hα-helixtrans-78.4-15.4176.4-69.4-7.5000113.7T480 Q481 E482T480-N484 VanDerWaalsContact O-CB 3.22Å; T480-N484 WeakPolarHBondContact O-CB 3.12Å; T480-N484 PolarHBondContact O-N 3.23Å; T480-N484 PolarHBondContact O-ND2 2.93Å; T480-N484 PolarHBondContact O-OD1 3.44Å; Q481-N484 PolarHBondContact O-N 2.93Å; E482-N484 VanDerWaalsContact C-N 3.27Å; E482-N484 PolarHBondContact O-N 3.43Å
485R69.7Low76.9Confident171 Ų17172.5 Ų72.565%0.64537%0.371SS*.Hα-helixtrans-98.3-36.6176.8-74.4171.7-174.6144.810.8113.1Q481 E482 S487Q481-R485 WeakPolarHBondContact O-CB 3.38Å; Q481-R485 WeakPolarHBondContact O-CG 3.41Å; Q481-R485 PolarHBondContact O-N 3.31Å; E482-R485 PolarHBondContact O-N 2.92Å; R485-S487 PolarHBondContact O-N 3.27Å
486N58.8Low77.3Confident76 Ų7670.1 Ų70.141%0.40636%0.36SS..  trans-93.385.4-166.1-68.2-18.4000112.7E482 S488E482-N486 VanDerWaalsContact O-CB 3.26Å; E482-N486 WeakPolarHBondContact O-CB 3.44Å; E482-N486 PolarHBondContact O-N 2.88Å; N486-S488 PolarHBondContact O-N 2.69Å
487S55.4Low77.4Confident106 Ų10674.3 Ų74.374%0.74138%0.375SS*.  trans-65.7122.916347.20000111.1R485R485-S487 PolarHBondContact O-N 3.27Å
488S53.3Low77.7Confident100 Ų10070.6 Ų70.670%0.69936%0.357SS*.SBendtrans52.690.4167.6530000118N486N486-S488 PolarHBondContact O-N 2.69Å
489T63.1Low78Confident140 Ų14066.2 Ų66.286%0.85933%0.333SS*.SBendtrans-178.4-42.9136.7210000111.1
490R73.6Confident78.2Confident160 Ų16067.1 Ų67.160%0.60434%0.341SS*.SBendtrans-102.7-4.7-173-155.9-179.1-160.5156.56.2115G492 F493 D494R490-G492 VanDerWaalsContact C-N 3.31Å; R490-G492 PolarHBondContact O-N 3.14Å; R490-G492 VanDerWaalsContact O-N 3.1Å; R490-F493 HydrophobicContact CG-CB 4.4Å; R490-F493 WeakPolarHBondContact O-CB 3.36Å; R490-F493 PolarHBondContact O-N 2.63Å; R490-D494 VanDerWaalsContact CB-OD2 3.31Å; R490-D494 WeakPolarHBondContact CB-OD2 2.81Å; R490-D494 WeakPolarHBondContact CD-OD1 3.31Å; R490-D494 WeakPolarHBondContact CG-OD2 3.2Å; R490-D494 IonicContact NE-OD1 3.89Å; R490-D494 PolarHBondContact O-N 3.41Å
491L82.8Confident78.2Confident47 Ų4765.7 Ų65.725%0.24633%0.332CS..Hα-helixtrans-52-37.7-169.9-175.864000115.1I483 L495 L521I483-L491 HydrophobicContact CG1-CD1 4.36Å; I483-L491 HydrophobicContact CG2-CD1 3.93Å; L491-L495 HydrophobicContact CD1-CD1 4.09Å; L491-L495 HydrophobicContact CD1-CG 4.23Å; L491-L495 HydrophobicContact CG-CD1 3.97Å; L491-L495 WeakPolarHBondContact O-CB 3.18Å; L491-L495 WeakPolarHBondContact O-CD1 3.25Å; L491-L495 VanDerWaalsContact O-CG 3.23Å; L491-L495 WeakPolarHBondContact O-CG 3.47Å; L491-L495 PolarHBondContact O-N 3.05Å; L491-L521 HydrophobicContact CB-CD1 4.37Å; L491-L521 HydrophobicContact CD2-CD1 3.93Å; L491-L521 HydrophobicContact CG-CD1 3.85Å
492G83Confident78.6Confident3 Ų363 Ų633%0.03132%0.318CS..Hα-helixtrans-66-43.1178.500000112.8R490 C496 S518 E522R490-G492 VanDerWaalsContact C-N 3.31Å; R490-G492 PolarHBondContact O-N 3.14Å; R490-G492 VanDerWaalsContact O-N 3.1Å; G492-C496 PolarHBondContact O-N 3.33Å; G492-S518 WeakPolarHBondContact O-CB 3.46Å; G492-S518 PolarHBondContact O-OG 2.73Å; G492-E522 VanDerWaalsContact CA-OE2 3.23Å; G492-E522 WeakPolarHBondContact CA-OE2 3.28Å
493F84.6Confident78.8Confident93 Ų9362.3 Ų62.341%0.40831%0.312SS..Hα-helixtrans-67.9-42.9174.5-175.7-89.1000112.2R490 L495 C496 R497 E522R490-F493 HydrophobicContact CG-CB 4.4Å; R490-F493 WeakPolarHBondContact O-CB 3.36Å; R490-F493 PolarHBondContact O-N 2.63Å; F493-L495 PolarHBondContact O-N 3.06Å; F493-C496 WeakPolarHBondContact O-CB 3.48Å; F493-C496 PolarHBondContact O-N 3.47Å; F493-C496 VanDerWaalsContact O-N 3.12Å; F493-R497 PolarHBondContact O-N 2.95Å; F493-E522 PolarHBondContact N-OE2 3.45Å
494D86.1Confident78.7Confident3 Ų366.9 Ų66.92%0.01633%0.331CS..Hα-helixtrans-67.9-37-178.3-60.1-29.6000111.3I483 R490 R497 R498I483-D494 HydrophobicContact CD1-CB 4.38Å; I483-D494 HydrophobicContact CG1-CB 4.01Å; R490-D494 VanDerWaalsContact CB-OD2 3.31Å; R490-D494 WeakPolarHBondContact CB-OD2 2.81Å; R490-D494 WeakPolarHBondContact CD-OD1 3.31Å; R490-D494 WeakPolarHBondContact CG-OD2 3.2Å; R490-D494 IonicContact NE-OD1 3.89Å; R490-D494 PolarHBondContact O-N 3.41Å; D494-R497 PolarHBondContact O-N 3.1Å; D494-R498 PolarHBondContact O-N 3.18Å
495L88.7Confident78.6Confident3 Ų364 Ų642%0.01632%0.315CS..Hα-helixtrans-64.9-39.9168.3-73.2167.2000112.4I483 L491 F493 R497 R498 G499 D514 R517 L521I483-L495 HydrophobicContact CD1-CD2 4.1Å; I483-L495 HydrophobicContact CD1-CG 4.44Å; L491-L495 HydrophobicContact CD1-CD1 4.09Å; L491-L495 HydrophobicContact CD1-CG 4.23Å; L491-L495 HydrophobicContact CG-CD1 3.97Å; L491-L495 WeakPolarHBondContact O-CB 3.18Å; L491-L495 WeakPolarHBondContact O-CD1 3.25Å; L491-L495 VanDerWaalsContact O-CG 3.23Å; L491-L495 WeakPolarHBondContact O-CG 3.47Å; L491-L495 PolarHBondContact O-N 3.05Å; F493-L495 PolarHBondContact O-N 3.06Å; L495-R497 VanDerWaalsContact C-N 3.32Å; L495-R497 PolarHBondContact O-N 2.91Å; L495-R498 PolarHBondContact O-N 3.4Å; L495-G499 PolarHBondContact O-N 2.91Å; L495-D514 HydrophobicContact CD2-CB 4.41Å; L495-D514 VanDerWaalsContact CD2-OD1 3.29Å; L495-D514 WeakPolarHBondContact CD2-OD1 3.45Å; L495-R517 HydrophobicContact CD1-CB 4.23Å; L495-R517 HydrophobicContact CD1-CG 3.85Å; L495-L521 HydrophobicContact CD1-CD1 3.74Å
496C88.7Confident78.8Confident6 Ų658.1 Ų58.14%0.04131%0.308CS..Hα-helixtrans-60.5-43.4173.6-174.40000111.6G492 F493 A500 S518 L525 S527 A528G492-C496 PolarHBondContact O-N 3.33Å; F493-C496 WeakPolarHBondContact O-CB 3.48Å; F493-C496 PolarHBondContact O-N 3.47Å; F493-C496 VanDerWaalsContact O-N 3.12Å; C496-A500 WeakPolarHBondContact O-CB 3.46Å; C496-A500 PolarHBondContact O-N 3.36Å; C496-S518 WeakPolarHBondContact CB-OG 3.38Å; C496-L525 HydrophobicContact CB-CD2 3.51Å; C496-S527 PolarHBondContact SG-OG 3.27Å; C496-A528 HydrophobicContact CB-CB 4.5Å
497R85.8Confident80Confident103 Ų10361 Ų6139%0.38931%0.313SS..Hα-helixtrans-62.7-51.5176.9-173177.2171.5-166.51.3110.8E475 L479 F493 D494 L495 G499 A500 L501E475-R497 IonicContact OE1-CZ 3.48Å; E475-R497 VanDerWaalsContact OE1-CZ 3.25Å; E475-R497 IonicContact OE1-NE 3.59Å; E475-R497 PolarHBondContact OE1-NE 3.02Å; E475-R497 IonicContact OE1-NH2 2.74Å; E475-R497 PolarHBondContact OE1-NH2 3Å; L479-R497 HydrophobicContact CD1-CB 4.4Å; L479-R497 HydrophobicContact CD1-CG 3.77Å; L479-R497 HydrophobicContact CD2-CG 4.46Å; F493-R497 PolarHBondContact O-N 2.95Å; D494-R497 PolarHBondContact O-N 3.1Å; L495-R497 VanDerWaalsContact C-N 3.32Å; L495-R497 PolarHBondContact O-N 2.91Å; R497-G499 PolarHBondContact O-N 3.4Å; R497-A500 PolarHBondContact O-N 2.88Å; R497-L501 WeakPolarHBondContact O-CG 3.35Å; R497-L501 PolarHBondContact O-N 3.44Å
498R88.7Confident81.3Confident30 Ų3059.2 Ų59.211%0.11330%0.295CS..Hα-helixtrans-63-40.8178.6-164.5179.465.8-179.7-2.3112I476 T480 I483 D494 L495 A500 L501 Y502 D514I476-R498 HydrophobicContact CG1-CG 4.42Å; I476-R498 HydrophobicContact CG2-CG 4.28Å; T480-R498 VanDerWaalsContact OG1-CD 3.31Å; T480-R498 WeakPolarHBondContact OG1-CD 3.23Å; T480-R498 PolarHBondContact OG1-NH1 2.92Å; I483-R498 HydrophobicContact CD1-CB 4.26Å; D494-R498 PolarHBondContact O-N 3.18Å; L495-R498 PolarHBondContact O-N 3.4Å; R498-A500 PolarHBondContact O-N 2.76Å; R498-L501 PolarHBondContact O-N 3.4Å; R498-L501 VanDerWaalsContact O-N 3.14Å; R498-Y502 HydrophobicContact CG-CD2 4.09Å; R498-Y502 HydrophobicContact CG-CE2 3.69Å; R498-Y502 WeakPolarHBondContact O-CD2 3.28Å; R498-Y502 PolarHBondContact O-N 2.85Å; R498-D514 IonicContact CZ-OD1 3.71Å; R498-D514 IonicContact CZ-OD2 3.41Å; R498-D514 IonicContact NE-OD1 3.8Å; R498-D514 IonicContact NE-OD2 2.73Å; R498-D514 PolarHBondContact NE-OD2 3.07Å; R498-D514 IonicContact NH2-OD1 2.77Å; R498-D514 PolarHBondContact NH2-OD1 3.41Å; R498-D514 IonicContact NH2-OD2 3.24Å; R498-D514 PolarHBondContact NH2-OD2 3.1Å
499G88.2Confident82.8Confident0 Ų062.5 Ų62.50%030%0.299CS..Hα-helixtrans-61.2-38.9173.400000113.6L495 R497 Y502 R503 A511L495-G499 PolarHBondContact O-N 2.91Å; R497-G499 PolarHBondContact O-N 3.4Å; G499-Y502 PolarHBondContact O-N 3.49Å; G499-R503 PolarHBondContact O-N 3.35Å; G499-A511 VanDerWaalsContact O-CB 3.28Å; G499-A511 WeakPolarHBondContact O-CB 3.48Å
500A86Confident83.9Confident19 Ų1958.5 Ų58.516%0.15727%0.273CS..Hα-helixtrans-67.9-34.3173.200000112.8C496 R497 R498 R503 K504C496-A500 WeakPolarHBondContact O-CB 3.46Å; C496-A500 PolarHBondContact O-N 3.36Å; R497-A500 PolarHBondContact O-N 2.88Å; R498-A500 PolarHBondContact O-N 2.76Å; A500-R503 PolarHBondContact O-N 3.08Å; A500-K504 PolarHBondContact O-N 2.8Å; A500-K504 VanDerWaalsContact O-N 3.12Å
501L85.8Confident84.7Confident7 Ų750.9 Ų50.94%0.03724%0.244CC..Hα-helixtrans-72.4-40173.4-62.8178.1000112V472 E475 I476 L479 R497 R498 R503 K504 I505V472-L501 HydrophobicContact CG1-CB 4.06Å; V472-L501 HydrophobicContact CG1-CD2 4.04Å; V472-L501 HydrophobicContact CG1-CG 4.44Å; V472-L501 HydrophobicContact CG2-CD2 4.42Å; E475-L501 HydrophobicContact CB-CD1 4.08Å; E475-L501 HydrophobicContact CG-CD1 3.72Å; I476-L501 HydrophobicContact CD1-CB 3.78Å; I476-L501 HydrophobicContact CG1-CB 3.65Å; I476-L501 HydrophobicContact CG1-CD1 3.89Å; I476-L501 HydrophobicContact CG1-CG 4.45Å; L479-L501 HydrophobicContact CD1-CD1 3.54Å; R497-L501 WeakPolarHBondContact O-CG 3.35Å; R497-L501 PolarHBondContact O-N 3.44Å; R498-L501 PolarHBondContact O-N 3.4Å; R498-L501 VanDerWaalsContact O-N 3.14Å; L501-R503 VanDerWaalsContact C-N 3.28Å; L501-R503 PolarHBondContact O-N 2.99Å; L501-K504 HydrophobicContact CD2-CD 4.24Å; L501-K504 CarbonylContact O-C 3.55Å; L501-K504 WeakPolarHBondContact O-CA 3.15Å; L501-K504 WeakPolarHBondContact O-CB 3.37Å; L501-K504 PolarHBondContact O-N 3.09Å; L501-I505 PolarHBondContact O-N 3.24Å
502Y87.9Confident85Confident26 Ų2650.3 Ų50.310%0.10224%0.239CC..Hα-helixtrans-59-39.1170.2-74.6-41.6000111.8I476 R498 G499 K504 I505 G506 R507 D510 D514I476-Y502 HydrophobicContact CD1-CD1 3.96Å; I476-Y502 HydrophobicContact CD1-CE1 4.19Å; I476-Y502 HydrophobicContact CG2-CE1 3.71Å; R498-Y502 HydrophobicContact CG-CD2 4.09Å; R498-Y502 HydrophobicContact CG-CE2 3.69Å; R498-Y502 WeakPolarHBondContact O-CD2 3.28Å; R498-Y502 PolarHBondContact O-N 2.85Å; G499-Y502 PolarHBondContact O-N 3.49Å; Y502-K504 VanDerWaalsContact C-N 3.31Å; Y502-K504 PolarHBondContact O-N 2.66Å; Y502-I505 PolarHBondContact O-N 2.96Å; Y502-G506 PolarHBondContact O-N 2.74Å; Y502-R507 HydrophobicContact CD1-CB 4.22Å; Y502-R507 HydrophobicContact CG-CB 4.48Å; Y502-R507 PolarHBondContact O-N 3.45Å; Y502-D510 HydrophobicContact CD1-CB 4.08Å; Y502-D510 HydrophobicContact CD2-CB 3.53Å; Y502-D510 HydrophobicContact CE1-CB 4.28Å; Y502-D510 HydrophobicContact CE2-CB 3.74Å; Y502-D510 HydrophobicContact CG-CB 3.72Å; Y502-D514 WeakPolarHBondContact CD2-OD2 3.42Å; Y502-D514 VanDerWaalsContact CE2-OD2 3.26Å; Y502-D514 WeakPolarHBondContact CE2-OD2 3.29Å
503R84.8Confident85.4Confident63 Ų6352.8 Ų52.824%0.23826%0.26CS..Hα-helixtrans-63.5-33.6172.2-167.4-178.462.774.6-4.9112.5G499 A500 L501 G506 L508 A511 N531G499-R503 PolarHBondContact O-N 3.35Å; A500-R503 PolarHBondContact O-N 3.08Å; L501-R503 VanDerWaalsContact C-N 3.28Å; L501-R503 PolarHBondContact O-N 2.99Å; R503-G506 PolarHBondContact O-N 2.87Å; R503-L508 HydrophobicContact CG-CD2 4.36Å; R503-A511 HydrophobicContact CB-CB 4.09Å; R503-N531 VanDerWaalsContact CZ-OD1 3.29Å; R503-N531 PolarHBondContact NE-OD1 3.05Å; R503-N531 PolarHBondContact NH2-OD1 3.25Å
504K78.7Confident85.6Confident122 Ų12248.9 Ų48.953%0.5324%0.243SC..Hα-helixtrans-71.3-35.5172.7-72.2-178.3-178.8-179.80113.3F458 A500 L501 Y502 G506F458-K504 HydrophobicContact CE1-CG 4.34Å; A500-K504 PolarHBondContact O-N 2.8Å; A500-K504 VanDerWaalsContact O-N 3.12Å; L501-K504 HydrophobicContact CD2-CD 4.24Å; L501-K504 CarbonylContact O-C 3.55Å; L501-K504 WeakPolarHBondContact O-CA 3.15Å; L501-K504 WeakPolarHBondContact O-CB 3.37Å; L501-K504 PolarHBondContact O-N 3.09Å; Y502-K504 VanDerWaalsContact C-N 3.31Å; Y502-K504 PolarHBondContact O-N 2.66Å; K504-G506 VanDerWaalsContact C-N 3.3Å
505I76.9Confident85.8Confident65 Ų6548.8 Ų48.833%0.33324%0.243SC..Hα-helixtrans-74.6-21.1174.1-67.9-167.4000112V472 I473 I476 L501 Y502 R507V472-I505 HydrophobicContact CG1-CD1 4.09Å; V472-I505 HydrophobicContact CG1-CG1 4.02Å; I473-I505 HydrophobicContact CG1-CD1 3.71Å; I476-I505 HydrophobicContact CD1-CD1 3.45Å; I476-I505 VanDerWaalsContact CD1-CD1 3.45Å; I476-I505 HydrophobicContact CD1-CG1 4.18Å; L501-I505 PolarHBondContact O-N 3.24Å; Y502-I505 PolarHBondContact O-N 2.96Å; I505-R507 HydrophobicContact CG2-CG 3.99Å
506G75.1Confident85.9Confident49 Ų4951.6 Ų51.651%0.50526%0.257SS..THydrogen-bonded Turntrans92.88.2-175.700000114.1Y502 R503 K504 L508Y502-G506 PolarHBondContact O-N 2.74Å; R503-G506 PolarHBondContact O-N 2.87Å; K504-G506 VanDerWaalsContact C-N 3.3Å; G506-L508 PolarHBondContact O-N 3.06Å
507R82.4Confident85.9Confident136 Ų13658.3 Ų58.351%0.51328%0.282SS..  trans-77.371.7171.3-62.4-158.3-170.5179.81.3110.6Y502 I505 Q509 D510 A511Y502-R507 HydrophobicContact CD1-CB 4.22Å; Y502-R507 HydrophobicContact CG-CB 4.48Å; Y502-R507 PolarHBondContact O-N 3.45Å; I505-R507 HydrophobicContact CG2-CG 3.99Å; R507-Q509 VanDerWaalsContact C-N 3.28Å; R507-Q509 PolarHBondContact O-N 3.07Å; R507-D510 HydrophobicContact CB-CB 4.05Å; R507-D510 WeakPolarHBondContact CD-OD2 3.05Å; R507-D510 IonicContact CZ-OD2 3.6Å; R507-D510 IonicContact NE-OD2 2.77Å; R507-D510 IonicContact NH1-OD2 3.03Å; R507-D510 PolarHBondContact NH1-OD2 3.43Å; R507-D510 PolarHBondContact O-N 3.23Å; R507-A511 VanDerWaalsContact O-CB 3.28Å; R507-A511 WeakPolarHBondContact O-CB 3.46Å; R507-A511 PolarHBondContact O-N 3.28Å
508L83.2Confident86Confident69 Ų6953.4 Ų53.436%0.36126%0.263SS..Hα-helixtrans-62.3-31.1-172.4-62.7179.6000113.6R503 G506 K512 L538R503-L508 HydrophobicContact CG-CD2 4.36Å; G506-L508 PolarHBondContact O-N 3.06Å; L508-K512 VanDerWaalsContact O-CB 3.29Å; L508-K512 WeakPolarHBondContact O-CB 3.47Å; L508-K512 PolarHBondContact O-N 3.25Å; L508-L538 HydrophobicContact CD1-CD1 4.22Å; L508-L538 HydrophobicContact CD2-CD1 4.18Å
509Q85.2Confident85.9Confident169 Ų16953.2 Ų53.279%0.7926%0.264SS*.Hα-helixtrans-70.7-52.5176.8-67.5-176.9-6.400111.7R507 A511 K512 A513R507-Q509 VanDerWaalsContact C-N 3.28Å; R507-Q509 PolarHBondContact O-N 3.07Å; Q509-A511 VanDerWaalsContact C-N 3.28Å; Q509-A511 PolarHBondContact O-N 3.01Å; Q509-K512 PolarHBondContact O-N 2.82Å; Q509-K512 VanDerWaalsContact O-N 3.11Å; Q509-A513 PolarHBondContact O-N 3.12Å
510D86.8Confident85.9Confident55 Ų5560.9 Ų60.929%0.29430%0.3SS..Hα-helixtrans-55.4-44.9174.1-57.63.2000110.8Y502 R507 K512 A513 D514Y502-D510 HydrophobicContact CD1-CB 4.08Å; Y502-D510 HydrophobicContact CD2-CB 3.53Å; Y502-D510 HydrophobicContact CE1-CB 4.28Å; Y502-D510 HydrophobicContact CE2-CB 3.74Å; Y502-D510 HydrophobicContact CG-CB 3.72Å; R507-D510 HydrophobicContact CB-CB 4.05Å; R507-D510 WeakPolarHBondContact CD-OD2 3.05Å; R507-D510 IonicContact CZ-OD2 3.6Å; R507-D510 IonicContact NE-OD2 2.77Å; R507-D510 IonicContact NH1-OD2 3.03Å; R507-D510 PolarHBondContact NH1-OD2 3.43Å; R507-D510 PolarHBondContact O-N 3.23Å; D510-K512 PolarHBondContact O-N 3.03Å; D510-A513 PolarHBondContact O-N 3.25Å; D510-D514 PolarHBondContact O-N 2.76Å
511A89.4Confident85.8Confident0 Ų064.4 Ų64.40%032%0.316CS..Hα-helixtrans-57.7-47175.600000112.2G499 R503 R507 Q509 L515 I535G499-A511 VanDerWaalsContact O-CB 3.28Å; G499-A511 WeakPolarHBondContact O-CB 3.48Å; R503-A511 HydrophobicContact CB-CB 4.09Å; R507-A511 VanDerWaalsContact O-CB 3.28Å; R507-A511 WeakPolarHBondContact O-CB 3.46Å; R507-A511 PolarHBondContact O-N 3.28Å; Q509-A511 VanDerWaalsContact C-N 3.28Å; Q509-A511 PolarHBondContact O-N 3.01Å; A511-L515 VanDerWaalsContact O-CB 3.26Å; A511-L515 WeakPolarHBondContact O-CB 3.3Å; A511-L515 VanDerWaalsContact O-CD1 3.3Å; A511-L515 WeakPolarHBondContact O-CD1 3.26Å; A511-L515 WeakPolarHBondContact O-CG 3.21Å; A511-L515 PolarHBondContact O-N 3.44Å; A511-I535 HydrophobicContact CB-CD1 3.87Å
512K89.3Confident85.5Confident35 Ų3567.5 Ų67.515%0.15233%0.33CS..Hα-helixtrans-66.2-40.5179.7-166.1178.9-170.9177.60112L508 Q509 D510 L515 L516 I532 I535 E539L508-K512 VanDerWaalsContact O-CB 3.29Å; L508-K512 WeakPolarHBondContact O-CB 3.47Å; L508-K512 PolarHBondContact O-N 3.25Å; Q509-K512 PolarHBondContact O-N 2.82Å; Q509-K512 VanDerWaalsContact O-N 3.11Å; D510-K512 PolarHBondContact O-N 3.03Å; K512-L515 PolarHBondContact O-N 3.1Å; K512-L516 HydrophobicContact CG-CD1 4.01Å; K512-L516 HydrophobicContact CG-CG 4.36Å; K512-L516 WeakPolarHBondContact O-CB 3.47Å; K512-L516 VanDerWaalsContact O-CG 3.27Å; K512-L516 WeakPolarHBondContact O-CG 3.3Å; K512-L516 PolarHBondContact O-N 2.99Å; K512-I532 HydrophobicContact CG-CD1 4.41Å; K512-I535 HydrophobicContact CB-CD1 4.14Å; K512-I535 HydrophobicContact CB-CG2 4.27Å; K512-I535 HydrophobicContact CD-CG2 4.08Å; K512-I535 HydrophobicContact CG-CG2 4.26Å; K512-E539 WeakPolarHBondContact CD-OE1 3.45Å; K512-E539 WeakPolarHBondContact CE-OE1 3.49Å; K512-E539 IonicContact NZ-OE1 2.69Å; K512-E539 PolarHBondContact NZ-OE1 2.93Å; K512-E539 IonicContact NZ-OE2 2.83Å; K512-E539 PolarHBondContact NZ-OE2 3.12Å
513A90.5Very high85.2Confident56 Ų5669.5 Ų69.546%0.46335%0.348SS..Hα-helixtrans-62.7-48.6177.600000111.5Q509 D510 R517Q509-A513 PolarHBondContact O-N 3.12Å; D510-A513 PolarHBondContact O-N 3.25Å; A513-R517 VanDerWaalsContact O-CB 3.31Å; A513-R517 WeakPolarHBondContact O-CB 3.41Å; A513-R517 PolarHBondContact O-N 3.21Å
514D90.2Very high84.8Confident11 Ų1174 Ų746%0.05937%0.369CS..Hα-helixtrans-63.4-41.9176.5-88.30.1000112.3L495 R498 Y502 D510 R517 S518L495-D514 HydrophobicContact CD2-CB 4.41Å; L495-D514 VanDerWaalsContact CD2-OD1 3.29Å; L495-D514 WeakPolarHBondContact CD2-OD1 3.45Å; R498-D514 IonicContact CZ-OD1 3.71Å; R498-D514 IonicContact CZ-OD2 3.41Å; R498-D514 IonicContact NE-OD1 3.8Å; R498-D514 IonicContact NE-OD2 2.73Å; R498-D514 PolarHBondContact NE-OD2 3.07Å; R498-D514 IonicContact NH2-OD1 2.77Å; R498-D514 PolarHBondContact NH2-OD1 3.41Å; R498-D514 IonicContact NH2-OD2 3.24Å; R498-D514 PolarHBondContact NH2-OD2 3.1Å; Y502-D514 WeakPolarHBondContact CD2-OD2 3.42Å; Y502-D514 VanDerWaalsContact CE2-OD2 3.26Å; Y502-D514 WeakPolarHBondContact CE2-OD2 3.29Å; D510-D514 PolarHBondContact O-N 2.76Å; D514-R517 PolarHBondContact O-N 3.47Å; D514-S518 VanDerWaalsContact O-CB 3.29Å; D514-S518 WeakPolarHBondContact O-CB 3.33Å; D514-S518 PolarHBondContact O-N 3.17Å
515L90.1Very high84.8Confident0 Ų069.6 Ų69.60%035%0.351CS..Hα-helixtrans-70.4-38.7180-70.8165.1000112.7A511 K512 S518 I519 A528 N531 I532 I535A511-L515 VanDerWaalsContact O-CB 3.26Å; A511-L515 WeakPolarHBondContact O-CB 3.3Å; A511-L515 VanDerWaalsContact O-CD1 3.3Å; A511-L515 WeakPolarHBondContact O-CD1 3.26Å; A511-L515 WeakPolarHBondContact O-CG 3.21Å; A511-L515 PolarHBondContact O-N 3.44Å; K512-L515 PolarHBondContact O-N 3.1Å; L515-S518 WeakPolarHBondContact O-CB 3.45Å; L515-S518 PolarHBondContact O-N 3.24Å; L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.5Å; L515-I519 PolarHBondContact O-N 3.09Å; L515-A528 HydrophobicContact CD2-CB 4.11Å; L515-N531 HydrophobicContact CD1-CB 3.66Å; L515-N531 HydrophobicContact CD2-CB 3.77Å; L515-N531 HydrophobicContact CG-CB 4.41Å; L515-I532 HydrophobicContact CB-CB 4.32Å; L515-I532 HydrophobicContact CB-CD1 4.37Å; L515-I532 HydrophobicContact CB-CG1 4.41Å; L515-I532 HydrophobicContact CD1-CB 4.46Å; L515-I535 HydrophobicContact CD1-CD1 3.72Å
516L90.7Very high84.9Confident63 Ų6368.7 Ų68.733%0.3335%0.351SS..Hα-helixtrans-64-42.6171.8-74.8171.7000111.2K512 S518 I519 Q520 I532K512-L516 HydrophobicContact CG-CD1 4.01Å; K512-L516 HydrophobicContact CG-CG 4.36Å; K512-L516 WeakPolarHBondContact O-CB 3.47Å; K512-L516 VanDerWaalsContact O-CG 3.27Å; K512-L516 WeakPolarHBondContact O-CG 3.3Å; K512-L516 PolarHBondContact O-N 2.99Å; L516-S518 VanDerWaalsContact C-N 3.34Å; L516-I519 PolarHBondContact O-N 3.15Å; L516-Q520 WeakPolarHBondContact O-CG 3.19Å; L516-Q520 PolarHBondContact O-N 3.43Å; L516-I532 HydrophobicContact CD2-CD1 3.46Å; L516-I532 VanDerWaalsContact CD2-CD1 3.46Å; L516-I532 HydrophobicContact CG-CD1 3.64Å
517R88.3Confident85.2Confident146 Ų14668.4 Ų68.455%0.55134%0.341SS*.Hα-helixtrans-67.2-35.1177.1-165.3175.3-173.6164.81.9112.3L495 A513 D514 Q520 L521L495-R517 HydrophobicContact CD1-CB 4.23Å; L495-R517 HydrophobicContact CD1-CG 3.85Å; A513-R517 VanDerWaalsContact O-CB 3.31Å; A513-R517 WeakPolarHBondContact O-CB 3.41Å; A513-R517 PolarHBondContact O-N 3.21Å; D514-R517 PolarHBondContact O-N 3.47Å; R517-Q520 PolarHBondContact O-N 2.67Å; R517-L521 WeakPolarHBondContact O-CG 3.36Å; R517-L521 PolarHBondContact O-N 3.45Å; R517-L521 VanDerWaalsContact O-N 3.12Å
518S88.1Confident85.3Confident0 Ų061.9 Ų61.90%032%0.316CS..Hα-helixtrans-61.3-48.1170.8179.80000111.3G492 C496 D514 L515 L516 Q520 L521 E522 L525G492-S518 WeakPolarHBondContact O-CB 3.46Å; G492-S518 PolarHBondContact O-OG 2.73Å; C496-S518 WeakPolarHBondContact CB-OG 3.38Å; D514-S518 VanDerWaalsContact O-CB 3.29Å; D514-S518 WeakPolarHBondContact O-CB 3.33Å; D514-S518 PolarHBondContact O-N 3.17Å; L515-S518 WeakPolarHBondContact O-CB 3.45Å; L515-S518 PolarHBondContact O-N 3.24Å; L516-S518 VanDerWaalsContact C-N 3.34Å; S518-Q520 VanDerWaalsContact C-N 3.3Å; S518-Q520 PolarHBondContact O-N 3.2Å; S518-L521 PolarHBondContact O-N 3.09Å; S518-L521 VanDerWaalsContact O-N 3.16Å; S518-E522 PolarHBondContact O-N 3.25Å; S518-L525 WeakPolarHBondContact OG-CD2 3.36Å
519I87Confident85.4Confident26 Ų2658.9 Ų58.913%0.13330%0.301CS..Hα-helixtrans-64.4-32176.4-67.3165.6000112.1L515 L516 S523 A528 I532L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.5Å; L515-I519 PolarHBondContact O-N 3.09Å; L516-I519 PolarHBondContact O-N 3.15Å; I519-S523 WeakPolarHBondContact O-CA 3.28Å; I519-S523 PolarHBondContact O-N 3.32Å; I519-A528 HydrophobicContact CD1-CB 4.23Å; I519-A528 HydrophobicContact CG1-CB 3.7Å; I519-I532 HydrophobicContact CD1-CD1 4.34Å; I519-I532 HydrophobicContact CD1-CG2 3.93Å
520Q87.1Confident85.2Confident162 Ų16255 Ų5576%0.75728%0.279SS*.Hα-helixtrans-69.3-31.6174.4-75.6171.7-11.100113.3L516 R517 S518L516-Q520 WeakPolarHBondContact O-CG 3.19Å; L516-Q520 PolarHBondContact O-N 3.43Å; R517-Q520 PolarHBondContact O-N 2.67Å; S518-Q520 VanDerWaalsContact C-N 3.3Å; S518-Q520 PolarHBondContact O-N 3.2Å
521L84Confident85Confident92 Ų9253 Ų5348%0.48227%0.268SS..Hα-helixtrans-85.1-42.6176.7-67.8168.2000112L491 L495 R517 S518L491-L521 HydrophobicContact CB-CD1 4.37Å; L491-L521 HydrophobicContact CD2-CD1 3.93Å; L491-L521 HydrophobicContact CG-CD1 3.85Å; L495-L521 HydrophobicContact CD1-CD1 3.74Å; R517-L521 WeakPolarHBondContact O-CG 3.36Å; R517-L521 PolarHBondContact O-N 3.45Å; R517-L521 VanDerWaalsContact O-N 3.12Å; S518-L521 PolarHBondContact O-N 3.09Å; S518-L521 VanDerWaalsContact O-N 3.16Å
522E80.2Confident84.9Confident73 Ų7353 Ų5334%0.34127%0.268SS..  trans-133.875.2-173.7-65.4-173.5119.900110G492 F493 S518 K524 L525G492-E522 VanDerWaalsContact CA-OE2 3.23Å; G492-E522 WeakPolarHBondContact CA-OE2 3.28Å; F493-E522 PolarHBondContact N-OE2 3.45Å; S518-E522 PolarHBondContact O-N 3.25Å; E522-K524 PolarHBondContact O-N 3.37Å; E522-L525 HydrophobicContact CB-CB 4.16Å; E522-L525 VanDerWaalsContact O-CB 3.26Å; E522-L525 WeakPolarHBondContact O-CB 3.41Å; E522-L525 PolarHBondContact O-N 2.71Å
523S80.6Confident84.6Confident68 Ų6852.2 Ų52.248%0.47627%0.265SS..THydrogen-bonded Turntrans-57.8-16.3-177.7590000115.1I519 H529 Y555I519-S523 WeakPolarHBondContact O-CA 3.28Å; I519-S523 PolarHBondContact O-N 3.32Å; S523-H529 PolarHBondContact O-NE2 3.21Å; S523-Y555 WeakPolarHBondContact O-CE2 3.16Å
524K77.5Confident84.2Confident156 Ų15652.8 Ų52.868%0.67826%0.257SS*.THydrogen-bonded Turntrans-88.81.6177.1-57.6-176.3-178.3175.50114E522 S526 Y555E522-K524 PolarHBondContact O-N 3.37Å; K524-S526 PolarHBondContact O-N 2.87Å; K524-Y555 HydrophobicContact CB-CD1 4Å; K524-Y555 HydrophobicContact CB-CE1 4Å; K524-Y555 HydrophobicContact CB-CG 4.35Å; K524-Y555 HydrophobicContact CG-CD1 4.24Å; K524-Y555 HydrophobicContact CG-CE1 3.77Å; K524-Y555 WeakPolarHBondContact O-CB 3.44Å
525L79.3Confident83.8Confident30 Ų3052.3 Ų52.316%0.15726%0.255CS..  trans-79.491.4-171.8-154.276.1000111.5C496 S518 E522 S527 A528 H529C496-L525 HydrophobicContact CB-CD2 3.51Å; S518-L525 WeakPolarHBondContact OG-CD2 3.36Å; E522-L525 HydrophobicContact CB-CB 4.16Å; E522-L525 VanDerWaalsContact O-CB 3.26Å; E522-L525 WeakPolarHBondContact O-CB 3.41Å; E522-L525 PolarHBondContact O-N 2.71Å; L525-S527 PolarHBondContact O-N 3.18Å; L525-S527 VanDerWaalsContact O-N 3.12Å; L525-A528 HydrophobicContact CB-CB 4.3Å; L525-A528 HydrophobicContact CD2-CB 4.21Å; L525-A528 PolarHBondContact O-N 3.12Å; L525-H529 PolarHBondContact O-N 3Å
526S78.8Confident83.6Confident46 Ų4653.4 Ų53.432%0.32226%0.259SS..Hα-helixtrans-51.9-35.9-178.659.10000113.6K524 A528 H529 W530K524-S526 PolarHBondContact O-N 2.87Å; S526-A528 PolarHBondContact O-N 3.29Å; S526-H529 PolarHBondContact O-N 2.94Å; S526-W530 VanDerWaalsContact O-CB 3.31Å; S526-W530 WeakPolarHBondContact O-CB 3.36Å; S526-W530 PolarHBondContact O-N 3.3Å
527S80.4Confident83Confident43 Ų4353.7 Ų53.730%0.30126%0.26SS..Hα-helixtrans-66.7-31.5177.457.90000113.6C496 L525 N531C496-S527 PolarHBondContact SG-OG 3.27Å; L525-S527 PolarHBondContact O-N 3.18Å; L525-S527 VanDerWaalsContact O-N 3.12Å; S527-N531 PolarHBondContact O-N 3.36Å; S527-N531 PolarHBondContact O-ND2 2.89Å
528A84.3Confident82.4Confident0 Ų052.1 Ų52.10%026%0.262CS..Hα-helixtrans-73.8-45.2175.500000110.7C496 L515 I519 L525 S526 W530 N531 I532C496-A528 HydrophobicContact CB-CB 4.5Å; L515-A528 HydrophobicContact CD2-CB 4.11Å; I519-A528 HydrophobicContact CD1-CB 4.23Å; I519-A528 HydrophobicContact CG1-CB 3.7Å; L525-A528 HydrophobicContact CB-CB 4.3Å; L525-A528 HydrophobicContact CD2-CB 4.21Å; L525-A528 PolarHBondContact O-N 3.12Å; S526-A528 PolarHBondContact O-N 3.29Å; A528-W530 VanDerWaalsContact C-N 3.3Å; A528-W530 PolarHBondContact O-N 3.02Å; A528-N531 PolarHBondContact O-N 2.95Å; A528-I532 WeakPolarHBondContact O-CB 3.4Å; A528-I532 PolarHBondContact O-N 2.91Å
529H84.8Confident82Confident6 Ų655.8 Ų55.83%0.02828%0.28CS..Hα-helixtrans-58.9-39.1172.9-78.2-88.7000112.6S523 L525 S526 H533 H548 Q551S523-H529 PolarHBondContact O-NE2 3.21Å; L525-H529 PolarHBondContact O-N 3Å; S526-H529 PolarHBondContact O-N 2.94Å; H529-H533 WeakPolarHBondContact O-CB 3.33Å; H529-H533 PolarHBondContact O-N 3.34Å; H529-H548 AromaticContact CE1-ND1 3.67Å; H529-H548 AromaticContact ND1-CE1 3.99Å; H529-H548 AromaticContact ND1-ND1 3.1Å; H529-H548 PolarHBondContact ND1-ND1 3.45Å; H529-Q551 VanDerWaalsContact CE1-CB 3.49Å; H529-Q551 WeakPolarHBondContact CE1-CB 3.18Å; H529-Q551 VanDerWaalsContact ND1-CB 3.26Å; H529-Q551 WeakPolarHBondContact ND1-CB 3.28Å
530W81.4Confident81.5Confident86 Ų8657.2 Ų57.233%0.32630%0.301SS..Hα-helixtrans-66-44.9175.3-175.6-108.8000112.8S526 A528 F534S526-W530 VanDerWaalsContact O-CB 3.31Å; S526-W530 WeakPolarHBondContact O-CB 3.36Å; S526-W530 PolarHBondContact O-N 3.3Å; A528-W530 VanDerWaalsContact C-N 3.3Å; A528-W530 PolarHBondContact O-N 3.02Å; W530-F534 HydrophobicContact CD2-CE2 4.24Å; W530-F534 AromaticContact CE2-CE2 3.73Å; W530-F534 HydrophobicContact CG-CE2 4.46Å; W530-F534 HydrophobicContact CZ2-CE2 4.08Å; W530-F534 HydrophobicContact CZ2-CZ 4.04Å; W530-F534 AromaticContact NE1-CE2 3.66Å; W530-F534 WeakPolarHBondContact O-CD2 3.44Å
531N83.4Confident81.1Confident15 Ų1553.5 Ų53.58%0.0828%0.282CS..Hα-helixtrans-70.7-36.2178.6-79.6-78.2000112.7R503 L515 S527 A528 F534R503-N531 VanDerWaalsContact CZ-OD1 3.29Å; R503-N531 PolarHBondContact NE-OD1 3.05Å; R503-N531 PolarHBondContact NH2-OD1 3.25Å; L515-N531 HydrophobicContact CD1-CB 3.66Å; L515-N531 HydrophobicContact CD2-CB 3.77Å; L515-N531 HydrophobicContact CG-CB 4.41Å; S527-N531 PolarHBondContact O-N 3.36Å; S527-N531 PolarHBondContact O-ND2 2.89Å; A528-N531 PolarHBondContact O-N 2.95Å; N531-F534 PolarHBondContact O-N 3.06Å
532I87Confident80.6Confident0 Ų053.9 Ų53.90%029%0.288CS..Hα-helixtrans-75.2-29.4179.7-151.7176.6000112.4K512 L515 L516 I519 A528 F534 I535 Y536 H548K512-I532 HydrophobicContact CG-CD1 4.41Å; L515-I532 HydrophobicContact CB-CB 4.32Å; L515-I532 HydrophobicContact CB-CD1 4.37Å; L515-I532 HydrophobicContact CB-CG1 4.41Å; L515-I532 HydrophobicContact CD1-CB 4.46Å; L516-I532 HydrophobicContact CD2-CD1 3.46Å; L516-I532 VanDerWaalsContact CD2-CD1 3.46Å; L516-I532 HydrophobicContact CG-CD1 3.64Å; I519-I532 HydrophobicContact CD1-CD1 4.34Å; I519-I532 HydrophobicContact CD1-CG2 3.93Å; A528-I532 WeakPolarHBondContact O-CB 3.4Å; A528-I532 PolarHBondContact O-N 2.91Å; I532-F534 VanDerWaalsContact C-N 3.29Å; I532-F534 PolarHBondContact O-N 3.33Å; I532-I535 PolarHBondContact O-N 3.12Å; I532-Y536 HydrophobicContact CD1-CE2 3.7Å; I532-Y536 HydrophobicContact CG1-CD2 3.97Å; I532-Y536 HydrophobicContact CG1-CE2 3.65Å; I532-Y536 HydrophobicContact CG2-CD2 4.36Å; I532-Y536 HydrophobicContact CG2-CE2 4.26Å; I532-Y536 VanDerWaalsContact O-CD2 3.25Å; I532-Y536 WeakPolarHBondContact O-CD2 3.5Å; I532-Y536 PolarHBondContact O-N 3.01Å; I532-H548 HydrophobicContact CG2-CB 3.9Å; I532-H548 WeakPolarHBondContact CG2-ND1 3.12Å
533H83.6Confident80.4Confident17 Ų1759 Ų598%0.07931%0.309CS..Hα-helixtrans-51.9-45.9169.8162.273.6000111.9H529 I535 Y536 L537 A545 H548H529-H533 WeakPolarHBondContact O-CB 3.33Å; H529-H533 PolarHBondContact O-N 3.34Å; H533-I535 VanDerWaalsContact C-N 3.34Å; H533-I535 PolarHBondContact O-N 3.36Å; H533-Y536 PolarHBondContact O-N 3.16Å; H533-L537 WeakPolarHBondContact NE2-CD1 3.45Å; H533-L537 PolarHBondContact O-N 3.05Å; H533-A545 PolarHBondContact ND1-O 3.19Å; H533-H548 HydrophobicContact CB-CB 4.32Å
534F80.7Confident80.4Confident68 Ų6859.6 Ų59.630%0.29831%0.305SS..Hα-helixtrans-64.5-35175.7-71-70.6000113.2W530 N531 I532 L537 L538W530-F534 HydrophobicContact CD2-CE2 4.24Å; W530-F534 AromaticContact CE2-CE2 3.73Å; W530-F534 HydrophobicContact CG-CE2 4.46Å; W530-F534 HydrophobicContact CZ2-CE2 4.08Å; W530-F534 HydrophobicContact CZ2-CZ 4.04Å; W530-F534 AromaticContact NE1-CE2 3.66Å; W530-F534 WeakPolarHBondContact O-CD2 3.44Å; N531-F534 PolarHBondContact O-N 3.06Å; I532-F534 VanDerWaalsContact C-N 3.29Å; I532-F534 PolarHBondContact O-N 3.33Å; F534-L537 HydrophobicContact CD1-CD1 4.43Å; F534-L537 PolarHBondContact O-N 3.07Å; F534-L538 VanDerWaalsContact O-CG 3.3Å; F534-L538 WeakPolarHBondContact O-CG 3.15Å; F534-L538 PolarHBondContact O-N 2.9Å
535I82.8Confident80.4Confident2 Ų252.2 Ų52.21%0.0127%0.273CS..Hα-helixtrans-67.2-42175.8-60.6177.4000110.1A511 K512 L515 I532 H533 L537 L538 E539A511-I535 HydrophobicContact CB-CD1 3.87Å; K512-I535 HydrophobicContact CB-CD1 4.14Å; K512-I535 HydrophobicContact CB-CG2 4.27Å; K512-I535 HydrophobicContact CD-CG2 4.08Å; K512-I535 HydrophobicContact CG-CG2 4.26Å; L515-I535 HydrophobicContact CD1-CD1 3.72Å; I532-I535 PolarHBondContact O-N 3.12Å; H533-I535 VanDerWaalsContact C-N 3.34Å; H533-I535 PolarHBondContact O-N 3.36Å; I535-L537 PolarHBondContact O-N 3.2Å; I535-L538 PolarHBondContact O-N 3.38Å; I535-E539 PolarHBondContact O-N 3.45Å
536Y85.4Confident80.2Confident22 Ų2253.3 Ų53.39%0.08628%0.278CS..Hα-helixtrans-67.6-31.7175.4-74-64.2000113.6I532 H533 E539 G540 K541 E544 H548I532-Y536 HydrophobicContact CD1-CE2 3.7Å; I532-Y536 HydrophobicContact CG1-CD2 3.97Å; I532-Y536 HydrophobicContact CG1-CE2 3.65Å; I532-Y536 HydrophobicContact CG2-CD2 4.36Å; I532-Y536 HydrophobicContact CG2-CE2 4.26Å; I532-Y536 VanDerWaalsContact O-CD2 3.25Å; I532-Y536 WeakPolarHBondContact O-CD2 3.5Å; I532-Y536 PolarHBondContact O-N 3.01Å; H533-Y536 PolarHBondContact O-N 3.16Å; Y536-E539 PolarHBondContact O-N 3.43Å; Y536-G540 PolarHBondContact O-N 3Å; Y536-K541 HydrophobicContact CD1-CB 4.17Å; Y536-K541 HydrophobicContact CD1-CD 4.21Å; Y536-K541 HydrophobicContact CE1-CD 4.5Å; Y536-K541 PolarHBondContact O-N 3.15Å; Y536-E544 HydrophobicContact CD1-CB 3.67Å; Y536-E544 HydrophobicContact CD1-CG 4.49Å; Y536-E544 WeakPolarHBondContact CD1-OE2 3.37Å; Y536-E544 HydrophobicContact CD2-CB 4.31Å; Y536-E544 HydrophobicContact CE1-CB 3.93Å; Y536-E544 HydrophobicContact CE1-CG 4.38Å; Y536-E544 WeakPolarHBondContact CE1-OE2 3.45Å; Y536-E544 HydrophobicContact CG-CB 3.87Å; Y536-H548 AromaticContact CD2-CD2 3.63Å; Y536-H548 AromaticContact CE2-CD2 3.38Å; Y536-H548 WeakPolarHBondContact CE2-CD2 3.25Å; Y536-H548 AromaticContact CE2-NE2 3.47Å; Y536-H548 WeakPolarHBondContact CE2-NE2 3.45Å
537L77.7Confident80.3Confident69 Ų6956.9 Ų56.936%0.36129%0.286SS..Hα-helixtrans-63.9-43.9168.3-76179.6000112H533 F534 I535 E539 G540 A545H533-L537 WeakPolarHBondContact NE2-CD1 3.45Å; H533-L537 PolarHBondContact O-N 3.05Å; F534-L537 HydrophobicContact CD1-CD1 4.43Å; F534-L537 PolarHBondContact O-N 3.07Å; I535-L537 PolarHBondContact O-N 3.2Å; L537-E539 VanDerWaalsContact C-N 3.31Å; L537-E539 PolarHBondContact O-N 3.36Å; L537-G540 PolarHBondContact O-N 3.32Å; L537-A545 HydrophobicContact CD2-CB 3.91Å; L537-A545 HydrophobicContact CG-CB 4Å
538L76.1Confident80.3Confident113 Ų11355.8 Ų55.859%0.59228%0.276SS*.Hα-helixtrans-67.2-30.1176.8-69.6168.3000112.7L508 F534 I535 G540L508-L538 HydrophobicContact CD1-CD1 4.22Å; L508-L538 HydrophobicContact CD2-CD1 4.18Å; F534-L538 VanDerWaalsContact O-CG 3.3Å; F534-L538 WeakPolarHBondContact O-CG 3.15Å; F534-L538 PolarHBondContact O-N 2.9Å; I535-L538 PolarHBondContact O-N 3.38Å; L538-G540 VanDerWaalsContact C-N 3.25Å; L538-G540 PolarHBondContact O-N 3.43Å
539E81Confident79.9Confident78 Ų7856.4 Ų56.436%0.36428%0.279SS..THydrogen-bonded Turntrans-77.5-3169.6-73.5-178.2-156.400113.8K512 I535 Y536 L537 K541K512-E539 WeakPolarHBondContact CD-OE1 3.45Å; K512-E539 WeakPolarHBondContact CE-OE1 3.49Å; K512-E539 IonicContact NZ-OE1 2.69Å; K512-E539 PolarHBondContact NZ-OE1 2.93Å; K512-E539 IonicContact NZ-OE2 2.83Å; K512-E539 PolarHBondContact NZ-OE2 3.12Å; I535-E539 PolarHBondContact O-N 3.45Å; Y536-E539 PolarHBondContact O-N 3.43Å; L537-E539 VanDerWaalsContact C-N 3.31Å; L537-E539 PolarHBondContact O-N 3.36Å; E539-K541 HydrophobicContact CB-CD 4.31Å; E539-K541 HydrophobicContact CB-CG 4.11Å; E539-K541 PolarHBondContact O-N 2.7Å; E539-K541 WeakPolarHBondContact OE2-CE 3.42Å; E539-K541 IonicContact OE2-NZ 2.73Å; E539-K541 PolarHBondContact OE2-NZ 3.49Å
540G75Confident79.3Confident56 Ų5658.4 Ų58.458%0.57729%0.288SS*.THydrogen-bonded Turntrans72.17.9-176.800000115.1Y536 L537 L538 T542Y536-G540 PolarHBondContact O-N 3Å; L537-G540 PolarHBondContact O-N 3.32Å; L538-G540 VanDerWaalsContact C-N 3.25Å; L538-G540 PolarHBondContact O-N 3.43Å; G540-T542 PolarHBondContact O-N 2.92Å
541K78.9Confident79Confident84 Ų8455.9 Ų55.937%0.36528%0.28SS..  trans-88.572.5-173.5-62.5-175.2-171.61590111.7Y536 E539 K543 E544 A545Y536-K541 HydrophobicContact CD1-CB 4.17Å; Y536-K541 HydrophobicContact CD1-CD 4.21Å; Y536-K541 HydrophobicContact CE1-CD 4.5Å; Y536-K541 PolarHBondContact O-N 3.15Å; E539-K541 HydrophobicContact CB-CD 4.31Å; E539-K541 HydrophobicContact CB-CG 4.11Å; E539-K541 PolarHBondContact O-N 2.7Å; E539-K541 WeakPolarHBondContact OE2-CE 3.42Å; E539-K541 IonicContact OE2-NZ 2.73Å; E539-K541 PolarHBondContact OE2-NZ 3.49Å; K541-K543 VanDerWaalsContact C-N 3.31Å; K541-K543 PolarHBondContact O-N 2.96Å; K541-E544 HydrophobicContact CB-CB 4.24Å; K541-E544 WeakPolarHBondContact CD-OE2 3.18Å; K541-E544 PolarHBondContact O-N 3.46Å; K541-E544 VanDerWaalsContact O-N 3.16Å; K541-A545 WeakPolarHBondContact O-CB 3.49Å; K541-A545 PolarHBondContact O-N 3.12Å
542T73.7Confident78.4Confident99 Ų9955.5 Ų55.561%0.60728%0.278SS*.Hα-helixtrans-52.8-39.8-17455.50000114.6G540 L546G540-T542 PolarHBondContact O-N 2.92Å; T542-L546 WeakPolarHBondContact O-CB 3.38Å; T542-L546 PolarHBondContact O-N 2.73Å
543K76.3Confident77.2Confident181 Ų18156.2 Ų56.279%0.78728%0.282SS*.Hα-helixtrans-64.3-47.2178.2-67.4-176.1178.9-179.80112.6K541 L546 Y547K541-K543 VanDerWaalsContact C-N 3.31Å; K541-K543 PolarHBondContact O-N 2.96Å; K543-L546 PolarHBondContact O-N 3.15Å; K543-Y547 PolarHBondContact O-N 3.14Å
544E79.8Confident76.2Confident81 Ų8159.4 Ų59.438%0.37930%0.299SS..Hα-helixtrans-68-41.5179.2-70.5155-127.800110.4Y536 K541 L546 Y547 H548Y536-E544 HydrophobicContact CD1-CB 3.67Å; Y536-E544 HydrophobicContact CD1-CG 4.49Å; Y536-E544 WeakPolarHBondContact CD1-OE2 3.37Å; Y536-E544 HydrophobicContact CD2-CB 4.31Å; Y536-E544 HydrophobicContact CE1-CB 3.93Å; Y536-E544 HydrophobicContact CE1-CG 4.38Å; Y536-E544 WeakPolarHBondContact CE1-OE2 3.45Å; Y536-E544 HydrophobicContact CG-CB 3.87Å; K541-E544 HydrophobicContact CB-CB 4.24Å; K541-E544 WeakPolarHBondContact CD-OE2 3.18Å; K541-E544 PolarHBondContact O-N 3.46Å; K541-E544 VanDerWaalsContact O-N 3.16Å; E544-L546 VanDerWaalsContact C-N 3.34Å; E544-L546 PolarHBondContact O-N 3.13Å; E544-Y547 PolarHBondContact O-N 3.29Å; E544-H548 PolarHBondContact O-CD2 3.42Å; E544-H548 VanDerWaalsContact O-CD2 3.25Å; E544-H548 PolarHBondContact O-N 2.98Å
545A78.6Confident75.3Confident1 Ų159.8 Ų59.81%0.00830%0.299CS..Hα-helixtrans-57.9-44.5172.700000112.1H533 L537 K541 H548 L549H533-A545 PolarHBondContact ND1-O 3.19Å; L537-A545 HydrophobicContact CD2-CB 3.91Å; L537-A545 HydrophobicContact CG-CB 4Å; K541-A545 WeakPolarHBondContact O-CB 3.49Å; K541-A545 PolarHBondContact O-N 3.12Å; A545-H548 PolarHBondContact O-N 2.92Å; A545-L549 WeakPolarHBondContact O-CB 3.22Å; A545-L549 PolarHBondContact O-N 3.45Å
546L74.6Confident74.2Confident53 Ų5362.4 Ų62.428%0.27732%0.317SS..Hα-helixtrans-68.4-42.7-179.7-164.8146.7000111.5T542 K543 E544 H548 L549 E550 L571T542-L546 WeakPolarHBondContact O-CB 3.38Å; T542-L546 PolarHBondContact O-N 2.73Å; K543-L546 PolarHBondContact O-N 3.15Å; E544-L546 VanDerWaalsContact C-N 3.34Å; E544-L546 PolarHBondContact O-N 3.13Å; L546-H548 PolarHBondContact O-N 3.43Å; L546-L549 WeakPolarHBondContact O-CB 3.36Å; L546-L549 PolarHBondContact O-N 3.37Å; L546-E550 HydrophobicContact CD2-CG 4.14Å; L546-E550 WeakPolarHBondContact O-CG 3.39Å; L546-E550 PolarHBondContact O-N 2.98Å; L546-L571 HydrophobicContact CD1-CD2 4.17Å; L546-L571 HydrophobicContact CG-CD2 4.39Å
547Y81.6Confident72.6Confident121 Ų12165.7 Ų65.748%0.47534%0.335SS..Hα-helixtrans-57.1-48.4173172.1-100.5000112.5K543 E544 L549 E550 Q551K543-Y547 PolarHBondContact O-N 3.14Å; E544-Y547 PolarHBondContact O-N 3.29Å; Y547-L549 VanDerWaalsContact C-N 3.31Å; Y547-L549 PolarHBondContact O-N 2.9Å; Y547-E550 PolarHBondContact O-N 2.9Å; Y547-Q551 HydrophobicContact CD1-CG 4.45Å; Y547-Q551 HydrophobicContact CD2-CG 4.44Å; Y547-Q551 HydrophobicContact CE1-CG 3.99Å; Y547-Q551 HydrophobicContact CE2-CG 3.98Å; Y547-Q551 WeakPolarHBondContact O-CG 3.28Å; Y547-Q551 PolarHBondContact O-N 3.06Å
548H80.3Confident71.5Confident19 Ų1969.7 Ų69.79%0.08836%0.356CS..Hα-helixtrans-67.8-30.8178.9-77.9-77.9000112.7H529 I532 H533 Y536 E544 A545 L546 S552H529-H548 AromaticContact CE1-ND1 3.67Å; H529-H548 AromaticContact ND1-CE1 3.99Å; H529-H548 AromaticContact ND1-ND1 3.1Å; H529-H548 PolarHBondContact ND1-ND1 3.45Å; I532-H548 HydrophobicContact CG2-CB 3.9Å; I532-H548 WeakPolarHBondContact CG2-ND1 3.12Å; H533-H548 HydrophobicContact CB-CB 4.32Å; Y536-H548 AromaticContact CD2-CD2 3.63Å; Y536-H548 AromaticContact CE2-CD2 3.38Å; Y536-H548 WeakPolarHBondContact CE2-CD2 3.25Å; Y536-H548 AromaticContact CE2-NE2 3.47Å; Y536-H548 WeakPolarHBondContact CE2-NE2 3.45Å; E544-H548 PolarHBondContact O-CD2 3.42Å; E544-H548 VanDerWaalsContact O-CD2 3.25Å; E544-H548 PolarHBondContact O-N 2.98Å; A545-H548 PolarHBondContact O-N 2.92Å; L546-H548 PolarHBondContact O-N 3.43Å; H548-S552 WeakPolarHBondContact O-CB 3.47Å; H548-S552 PolarHBondContact O-N 2.96Å
549L75Confident70.4Confident14 Ų1472 Ų727%0.07337%0.369CS..Hα-helixtrans-64.1-46.9170.6-175.3159.3000110.8A545 L546 Y547 Q551 S552 F553 I567 L571A545-L549 WeakPolarHBondContact O-CB 3.22Å; A545-L549 PolarHBondContact O-N 3.45Å; L546-L549 WeakPolarHBondContact O-CB 3.36Å; L546-L549 PolarHBondContact O-N 3.37Å; Y547-L549 VanDerWaalsContact C-N 3.31Å; Y547-L549 PolarHBondContact O-N 2.9Å; L549-Q551 VanDerWaalsContact C-N 3.35Å; L549-Q551 PolarHBondContact O-N 2.97Å; L549-S552 PolarHBondContact O-N 3.31Å; L549-S552 PolarHBondContact O-OG 2.84Å; L549-F553 WeakPolarHBondContact O-CB 3.34Å; L549-F553 PolarHBondContact O-N 3.47Å; L549-I567 HydrophobicContact CD2-CG2 3.75Å; L549-I567 HydrophobicContact CG-CG2 4.43Å; L549-L571 HydrophobicContact CD1-CD2 4.2Å; L549-L571 HydrophobicContact CD1-CG 4.44Å; L549-L571 HydrophobicContact CD2-CD1 3.73Å; L549-L571 HydrophobicContact CD2-CD2 4.36Å; L549-L571 HydrophobicContact CD2-CG 4.27Å
550E71.8Confident69.7Low47 Ų4772 Ų7222%0.2237%0.372CS..Hα-helixtrans-62-37.3176.9-70.3-172.8139.800113.2L546 Y547 F553 I554 Y578L546-E550 HydrophobicContact CD2-CG 4.14Å; L546-E550 WeakPolarHBondContact O-CG 3.39Å; L546-E550 PolarHBondContact O-N 2.98Å; Y547-E550 PolarHBondContact O-N 2.9Å; E550-F553 WeakPolarHBondContact O-CB 3.49Å; E550-F553 PolarHBondContact O-N 3.36Å; E550-I554 VanDerWaalsContact O-CG1 3.31Å; E550-I554 WeakPolarHBondContact O-CG1 3.43Å; E550-I554 PolarHBondContact O-N 3.28Å; E550-Y578 PolarHBondContact OE1-OH 3.46Å
551Q76.7Confident69.2Low34 Ų3471.3 Ų71.316%0.15936%0.358CS..Hα-helixtrans-69.5-41.4172.8-64.8-54.9-35.900112H529 Y547 L549 F553 I554 Y555H529-Q551 VanDerWaalsContact CE1-CB 3.49Å; H529-Q551 WeakPolarHBondContact CE1-CB 3.18Å; H529-Q551 VanDerWaalsContact ND1-CB 3.26Å; H529-Q551 WeakPolarHBondContact ND1-CB 3.28Å; Y547-Q551 HydrophobicContact CD1-CG 4.45Å; Y547-Q551 HydrophobicContact CD2-CG 4.44Å; Y547-Q551 HydrophobicContact CE1-CG 3.99Å; Y547-Q551 HydrophobicContact CE2-CG 3.98Å; Y547-Q551 WeakPolarHBondContact O-CG 3.28Å; Y547-Q551 PolarHBondContact O-N 3.06Å; L549-Q551 VanDerWaalsContact C-N 3.35Å; L549-Q551 PolarHBondContact O-N 2.97Å; Q551-F553 PolarHBondContact O-N 3.22Å; Q551-I554 PolarHBondContact O-N 3.28Å; Q551-Y555 WeakPolarHBondContact O-CD2 3.33Å; Q551-Y555 PolarHBondContact O-N 3.46Å
552S69.9Low68.7Low6 Ų672.3 Ų72.34%0.04237%0.366CS..Hα-helixtrans-57.9-36.517380.10000111.3H548 L549 S556H548-S552 WeakPolarHBondContact O-CB 3.47Å; H548-S552 PolarHBondContact O-N 2.96Å; L549-S552 PolarHBondContact O-N 3.31Å; L549-S552 PolarHBondContact O-OG 2.84Å; S552-S556 WeakPolarHBondContact O-CB 3.17Å; S552-S556 PolarHBondContact O-N 3.44Å
553F62.1Low68.3Low16 Ų1672.1 Ų72.17%0.0736%0.359CS..Hα-helixtrans-68.6-49177.1-176.3-78.6000111.8L549 E550 Q551 Y555 S556 I557 E564 I567 W568L549-F553 WeakPolarHBondContact O-CB 3.34Å; L549-F553 PolarHBondContact O-N 3.47Å; E550-F553 WeakPolarHBondContact O-CB 3.49Å; E550-F553 PolarHBondContact O-N 3.36Å; Q551-F553 PolarHBondContact O-N 3.22Å; F553-Y555 PolarHBondContact O-N 3.25Å; F553-S556 WeakPolarHBondContact O-CA 3.26Å; F553-S556 PolarHBondContact O-N 2.9Å; F553-I557 HydrophobicContact CD1-CD1 4.09Å; F553-I557 HydrophobicContact CD1-CG1 4.15Å; F553-I557 HydrophobicContact CE1-CD1 3.87Å; F553-I557 HydrophobicContact CE1-CG1 3.86Å; F553-I557 WeakPolarHBondContact O-CG1 3.36Å; F553-I557 PolarHBondContact O-N 3.27Å; F553-I557 VanDerWaalsContact O-N 3.13Å; F553-E564 HydrophobicContact CD2-CG 4.42Å; F553-E564 HydrophobicContact CE1-CG 4.34Å; F553-E564 HydrophobicContact CE2-CB 4.34Å; F553-E564 HydrophobicContact CE2-CG 3.27Å; F553-E564 HydrophobicContact CZ-CG 3.21Å; F553-E564 WeakPolarHBondContact CZ-OE1 3.41Å; F553-I567 HydrophobicContact CD2-CG2 4.31Å; F553-W568 HydrophobicContact CD1-CZ2 4.11Å; F553-W568 AromaticContact CD2-CZ2 3.99Å; F553-W568 HydrophobicContact CD2-CZ2 3.99Å; F553-W568 AromaticContact CE1-CZ2 3.69Å; F553-W568 HydrophobicContact CE1-CZ2 3.69Å; F553-W568 HydrophobicContact CE2-CD2 4.45Å; F553-W568 AromaticContact CE2-CE2 3.4Å; F553-W568 VanDerWaalsContact CE2-CE2 3.4Å; F553-W568 AromaticContact CE2-CZ2 3.51Å; F553-W568 HydrophobicContact CE2-CZ2 3.51Å; F553-W568 AromaticContact CE2-NE1 3.12Å; F553-W568 HydrophobicContact CG-CZ2 4.26Å; F553-W568 AromaticContact CZ-CE2 3.47Å; F553-W568 VanDerWaalsContact CZ-CE2 3.47Å; F553-W568 AromaticContact CZ-CZ2 3.36Å; F553-W568 HydrophobicContact CZ-CZ2 3.36Å; F553-W568 AromaticContact CZ-NE1 3.11Å
554I63Low67.8Low84 Ų8464.7 Ų64.743%0.43133%0.327SS..Hα-helixtrans-53.5-38.8177.2-74.6163.8000111.4E550 Q551E550-I554 VanDerWaalsContact O-CG1 3.31Å; E550-I554 WeakPolarHBondContact O-CG1 3.43Å; E550-I554 PolarHBondContact O-N 3.28Å; Q551-I554 PolarHBondContact O-N 3.28Å
555Y62.1Low67.4Low76 Ų7663.3 Ų63.330%0.29832%0.322SS..THydrogen-bonded Turntrans-89.1-5.6177.3-55.6-52.4000114.4S523 K524 Q551 F553S523-Y555 WeakPolarHBondContact O-CE2 3.16Å; K524-Y555 HydrophobicContact CB-CD1 4Å; K524-Y555 HydrophobicContact CB-CE1 4Å; K524-Y555 HydrophobicContact CB-CG 4.35Å; K524-Y555 HydrophobicContact CG-CD1 4.24Å; K524-Y555 HydrophobicContact CG-CE1 3.77Å; K524-Y555 WeakPolarHBondContact O-CB 3.44Å; Q551-Y555 WeakPolarHBondContact O-CD2 3.33Å; Q551-Y555 PolarHBondContact O-N 3.46Å; F553-Y555 PolarHBondContact O-N 3.25Å
556S59.7Low67.3Low56 Ų5669.2 Ų69.239%0.39235%0.347SS..THydrogen-bonded Turntrans-96-8.8174.1-173.10000114S552 F553 L558S552-S556 WeakPolarHBondContact O-CB 3.17Å; S552-S556 PolarHBondContact O-N 3.44Å; F553-S556 WeakPolarHBondContact O-CA 3.26Å; F553-S556 PolarHBondContact O-N 2.9Å; S556-L558 PolarHBondContact O-N 2.89Å
557I51.7Low67Low92 Ų9267.9 Ų67.947%0.47234%0.34SS..THydrogen-bonded Turntrans-57.5-11.5-175.9-84.6168.1000114.7F553 N559F553-I557 HydrophobicContact CD1-CD1 4.09Å; F553-I557 HydrophobicContact CD1-CG1 4.15Å; F553-I557 HydrophobicContact CE1-CD1 3.87Å; F553-I557 HydrophobicContact CE1-CG1 3.86Å; F553-I557 WeakPolarHBondContact O-CG1 3.36Å; F553-I557 PolarHBondContact O-N 3.27Å; F553-I557 VanDerWaalsContact O-N 3.13Å; I557-N559 PolarHBondContact O-N 3.2Å
558L52.8Low67Low152 Ų15262.3 Ų62.380%0.79632%0.318SS*.THydrogen-bonded Turntrans-73.2-16.9-167.4-84.5170.5000117.3S556S556-L558 PolarHBondContact O-N 2.89Å
559N54.7Low67.1Low163 Ų16363.4 Ų63.487%0.87233%0.326SS*.THydrogen-bonded Turntrans-157.7-22.4-178.9-103.7-36.4000120I557I557-N559 PolarHBondContact O-N 3.2Å
560D65.7Low67.1Low78 Ų7869.3 Ų69.342%0.41735%0.351SS..  trans-120.889.4-167.8-166.8-18.5000114.8I562 M563 E564D560-I562 PolarHBondContact O-N 2.94Å; D560-I562 WeakPolarHBondContact OD1-CA 3.48Å; D560-I562 WeakPolarHBondContact OD1-CB 3.41Å; D560-I562 PolarHBondContact OD1-N 2.97Å; D560-M563 HydrophobicContact CB-CB 4.12Å; D560-M563 HydrophobicContact CB-CG 4.26Å; D560-M563 PolarHBondContact O-N 3.27Å; D560-M563 PolarHBondContact OD1-N 3.17Å; D560-M563 WeakPolarHBondContact OD2-CG 3.29Å; D560-E564 WeakPolarHBondContact O-CB 3.32Å; D560-E564 PolarHBondContact O-N 3.09Å
561S65.3Low67.2Low41 Ų4167.6 Ų67.629%0.28734%0.343SS..Hα-helixtrans-63.7-19.8175.5640000115.1E564 M565S561-E564 WeakPolarHBondContact O-CB 3.15Å; S561-M565 PolarHBondContact O-N 3.07Å
562I66.8Low67.4Low104 Ų10466.4 Ų66.453%0.53334%0.338SS..Hα-helixtrans-80.9-41.8-179.4-57.8173.9000109.4D560 E564 K566D560-I562 PolarHBondContact O-N 2.94Å; D560-I562 WeakPolarHBondContact OD1-CA 3.48Å; D560-I562 WeakPolarHBondContact OD1-CB 3.41Å; D560-I562 PolarHBondContact OD1-N 2.97Å; I562-E564 VanDerWaalsContact C-N 3.35Å; I562-K566 WeakPolarHBondContact O-CG 3.44Å; I562-K566 PolarHBondContact O-N 2.95Å; I562-K566 VanDerWaalsContact O-N 3.12Å
563M64.9Low67.9Low96 Ų9671.9 Ų71.947%0.47337%0.367SS..Hα-helixtrans-61.8-43.7167.1-73.7-79.7-84.200111D560 M565 K566 I567D560-M563 HydrophobicContact CB-CB 4.12Å; D560-M563 HydrophobicContact CB-CG 4.26Å; D560-M563 PolarHBondContact O-N 3.27Å; D560-M563 PolarHBondContact OD1-N 3.17Å; D560-M563 WeakPolarHBondContact OD2-CG 3.29Å; M563-M565 VanDerWaalsContact C-N 3.34Å; M563-M565 PolarHBondContact O-N 3.4Å; M563-K566 PolarHBondContact O-N 3.28Å; M563-I567 WeakPolarHBondContact O-CG1 3.19Å; M563-I567 PolarHBondContact O-N 3.35Å
564E67.3Low68.5Low25 Ų2579.8 Ų79.812%0.11740%0.398CS..Hα-helixtrans-53.1-49.4176-148.7-175.8149.300111.3F553 D560 S561 I562 I567 W568 L588F553-E564 HydrophobicContact CD2-CG 4.42Å; F553-E564 HydrophobicContact CE1-CG 4.34Å; F553-E564 HydrophobicContact CE2-CB 4.34Å; F553-E564 HydrophobicContact CE2-CG 3.27Å; F553-E564 HydrophobicContact CZ-CG 3.21Å; F553-E564 WeakPolarHBondContact CZ-OE1 3.41Å; D560-E564 WeakPolarHBondContact O-CB 3.32Å; D560-E564 PolarHBondContact O-N 3.09Å; S561-E564 WeakPolarHBondContact O-CB 3.15Å; I562-E564 VanDerWaalsContact C-N 3.35Å; E564-I567 PolarHBondContact O-N 3.41Å; E564-W568 PolarHBondContact O-N 3.49Å; E564-L588 HydrophobicContact CB-CD1 4Å; E564-L588 HydrophobicContact CB-CD2 4.29Å; E564-L588 HydrophobicContact CG-CD1 3.66Å; E564-L588 HydrophobicContact CG-CD2 4.15Å; E564-L588 HydrophobicContact CG-CG 4.47Å; E564-L588 WeakPolarHBondContact OE1-CD1 3.35Å; E564-L588 WeakPolarHBondContact OE1-CD2 3.4Å; E564-L588 VanDerWaalsContact OE2-CD2 3.29Å; E564-L588 WeakPolarHBondContact OE2-CD2 3.49Å
565M71.3Confident69Low52 Ų5278.9 Ų78.926%0.25639%0.393SS..Hα-helixtrans-64.3-42.5177.5-172.8179.97000113.1S561 M563 I567 W568 T569 Y589S561-M565 PolarHBondContact O-N 3.07Å; M563-M565 VanDerWaalsContact C-N 3.34Å; M563-M565 PolarHBondContact O-N 3.4Å; M565-I567 VanDerWaalsContact C-N 3.28Å; M565-I567 PolarHBondContact O-N 3.28Å; M565-W568 PolarHBondContact O-N 3.11Å; M565-T569 PolarHBondContact O-N 2.92Å; M565-T569 PolarHBondContact O-OG1 2.92Å; M565-Y589 HydrophobicContact SD-CE1 3.59Å; M565-Y589 VanDerWaalsContact SD-CE1 3.59Å
566K75.4Confident70Confident124 Ų12479 Ų7954%0.53940%0.404SS..Hα-helixtrans-62.9-32.1178.8-77.9177.7178.9178.10113.1I562 M563 T569 K570I562-K566 WeakPolarHBondContact O-CG 3.44Å; I562-K566 PolarHBondContact O-N 2.95Å; I562-K566 VanDerWaalsContact O-N 3.12Å; M563-K566 PolarHBondContact O-N 3.28Å; K566-T569 WeakPolarHBondContact CA-OG1 3.44Å; K566-T569 PolarHBondContact O-OG1 3.46Å; K566-K570 PolarHBondContact O-N 3.38Å
567I69.8Low71Confident25 Ų2580.8 Ų80.813%0.12841%0.412CS..Hα-helixtrans-71.5-46.3176.3-67.5165.1000110.1L549 F553 M563 E564 M565 T569 K570 L571L549-I567 HydrophobicContact CD2-CG2 3.75Å; L549-I567 HydrophobicContact CG-CG2 4.43Å; F553-I567 HydrophobicContact CD2-CG2 4.31Å; M563-I567 WeakPolarHBondContact O-CG1 3.19Å; M563-I567 PolarHBondContact O-N 3.35Å; E564-I567 PolarHBondContact O-N 3.41Å; M565-I567 VanDerWaalsContact C-N 3.28Å; M565-I567 PolarHBondContact O-N 3.28Å; I567-T569 PolarHBondContact O-N 3.08Å; I567-K570 PolarHBondContact O-N 2.87Å; I567-L571 HydrophobicContact CG2-CD1 4.33Å; I567-L571 PolarHBondContact O-N 3.05Å
568W80Confident72.5Confident5 Ų578.8 Ų78.82%0.01940%0.399CS..Hα-helixtrans-66.1-35.6177.6-66118.9000113.7F553 E564 M565 L571 I572 L580 A581 K584 R585 L588F553-W568 HydrophobicContact CD1-CZ2 4.11Å; F553-W568 AromaticContact CD2-CZ2 3.99Å; F553-W568 HydrophobicContact CD2-CZ2 3.99Å; F553-W568 AromaticContact CE1-CZ2 3.69Å; F553-W568 HydrophobicContact CE1-CZ2 3.69Å; F553-W568 HydrophobicContact CE2-CD2 4.45Å; F553-W568 AromaticContact CE2-CE2 3.4Å; F553-W568 VanDerWaalsContact CE2-CE2 3.4Å; F553-W568 AromaticContact CE2-CZ2 3.51Å; F553-W568 HydrophobicContact CE2-CZ2 3.51Å; F553-W568 AromaticContact CE2-NE1 3.12Å; F553-W568 HydrophobicContact CG-CZ2 4.26Å; F553-W568 AromaticContact CZ-CE2 3.47Å; F553-W568 VanDerWaalsContact CZ-CE2 3.47Å; F553-W568 AromaticContact CZ-CZ2 3.36Å; F553-W568 HydrophobicContact CZ-CZ2 3.36Å; F553-W568 AromaticContact CZ-NE1 3.11Å; E564-W568 PolarHBondContact O-N 3.49Å; M565-W568 PolarHBondContact O-N 3.11Å; W568-L571 HydrophobicContact CD2-CD1 4.42Å; W568-L571 HydrophobicContact CE3-CB 4.47Å; W568-L571 HydrophobicContact CE3-CD1 3.42Å; W568-L571 VanDerWaalsContact CE3-CD1 3.42Å; W568-L571 HydrophobicContact CH2-CD1 4.36Å; W568-L571 HydrophobicContact CZ3-CD1 3.4Å; W568-L571 VanDerWaalsContact CZ3-CD1 3.4Å; W568-L571 PolarHBondContact O-N 2.94Å; W568-I572 WeakPolarHBondContact O-CB 3.35Å; W568-I572 WeakPolarHBondContact O-CD1 3.16Å; W568-I572 VanDerWaalsContact O-CG1 3.3Å; W568-I572 WeakPolarHBondContact O-CG1 3.5Å; W568-I572 PolarHBondContact O-N 3.08Å; W568-L580 HydrophobicContact CH2-CD2 4.1Å; W568-L580 HydrophobicContact CZ3-CD2 4.3Å; W568-A581 HydrophobicContact CE3-CB 3.54Å; W568-A581 HydrophobicContact CZ3-CB 3.95Å; W568-K584 HydrophobicContact CD2-CB 3.83Å; W568-K584 HydrophobicContact CE3-CB 4.33Å; W568-K584 HydrophobicContact CG-CB 4.4Å; W568-K584 HydrophobicContact CH2-CB 4.04Å; W568-K584 HydrophobicContact CH2-CG 3.76Å; W568-K584 HydrophobicContact CZ2-CB 3.47Å; W568-K584 VanDerWaalsContact CZ2-CB 3.47Å; W568-K584 HydrophobicContact CZ2-CD 4.37Å; W568-K584 HydrophobicContact CZ2-CG 3.52Å; W568-K584 HydrophobicContact CZ3-CB 4.41Å; W568-K584 HydrophobicContact CZ3-CG 4.36Å; W568-R585 HydrophobicContact CB-CB 4Å; W568-R585 HydrophobicContact CB-CG 4.22Å; W568-R585 HydrophobicContact CG-CB 4.44Å; W568-L588 VanDerWaalsContact CD1-CD1 3.44Å
569T83.2Confident73.8Confident41 Ų4174.3 Ų74.325%0.25237%0.374SS..Hα-helixtrans-58.4-51.5171.144.60000110.7M565 K566 I567 L571 I572 D573M565-T569 PolarHBondContact O-N 2.92Å; M565-T569 PolarHBondContact O-OG1 2.92Å; K566-T569 WeakPolarHBondContact CA-OG1 3.44Å; K566-T569 PolarHBondContact O-OG1 3.46Å; I567-T569 PolarHBondContact O-N 3.08Å; T569-L571 VanDerWaalsContact C-N 3.34Å; T569-L571 PolarHBondContact O-N 3.5Å; T569-I572 WeakPolarHBondContact O-CB 3.27Å; T569-I572 PolarHBondContact O-N 3.2Å; T569-D573 PolarHBondContact O-N 3.49Å; T569-D573 VanDerWaalsContact O-OD2 3.07Å
570K76Confident75.1Confident139 Ų13969.5 Ų69.560%0.60435%0.348SS*.Hα-helixtrans-62-37.8179.6-72.9-172.4174.9-169.90113K566 I567 I572 D573 Y574K566-K570 PolarHBondContact O-N 3.38Å; I567-K570 PolarHBondContact O-N 2.87Å; K570-I572 VanDerWaalsContact C-N 3.33Å; K570-I572 PolarHBondContact O-N 2.83Å; K570-D573 PolarHBondContact O-N 3.02Å; K570-Y574 WeakPolarHBondContact O-CD2 3.3Å; K570-Y574 PolarHBondContact O-N 3.03Å
571L72.9Confident75.9Confident11 Ų1165.8 Ų65.86%0.05833%0.328CS..Hα-helixtrans-62.8-38.5173.5-82.7172.8000112.8L546 L549 I567 W568 T569 Y574 N575 A581L546-L571 HydrophobicContact CD1-CD2 4.17Å; L546-L571 HydrophobicContact CG-CD2 4.39Å; L549-L571 HydrophobicContact CD1-CD2 4.2Å; L549-L571 HydrophobicContact CD1-CG 4.44Å; L549-L571 HydrophobicContact CD2-CD1 3.73Å; L549-L571 HydrophobicContact CD2-CD2 4.36Å; L549-L571 HydrophobicContact CD2-CG 4.27Å; I567-L571 HydrophobicContact CG2-CD1 4.33Å; I567-L571 PolarHBondContact O-N 3.05Å; W568-L571 HydrophobicContact CD2-CD1 4.42Å; W568-L571 HydrophobicContact CE3-CB 4.47Å; W568-L571 HydrophobicContact CE3-CD1 3.42Å; W568-L571 VanDerWaalsContact CE3-CD1 3.42Å; W568-L571 HydrophobicContact CH2-CD1 4.36Å; W568-L571 HydrophobicContact CZ3-CD1 3.4Å; W568-L571 VanDerWaalsContact CZ3-CD1 3.4Å; W568-L571 PolarHBondContact O-N 2.94Å; T569-L571 VanDerWaalsContact C-N 3.34Å; T569-L571 PolarHBondContact O-N 3.5Å; L571-Y574 PolarHBondContact O-N 3.32Å; L571-N575 PolarHBondContact O-N 3.49Å; L571-A581 HydrophobicContact CB-CB 4.37Å
572I81.7Confident77Confident9 Ų964.6 Ų64.65%0.04632%0.317CS..Hα-helixtrans-70.3-34.1175.9-72.7162.8000111.1W568 T569 K570 N575 P576 A581 Y582 R585W568-I572 WeakPolarHBondContact O-CB 3.35Å; W568-I572 WeakPolarHBondContact O-CD1 3.16Å; W568-I572 VanDerWaalsContact O-CG1 3.3Å; W568-I572 WeakPolarHBondContact O-CG1 3.5Å; W568-I572 PolarHBondContact O-N 3.08Å; T569-I572 WeakPolarHBondContact O-CB 3.27Å; T569-I572 PolarHBondContact O-N 3.2Å; K570-I572 VanDerWaalsContact C-N 3.33Å; K570-I572 PolarHBondContact O-N 2.83Å; I572-N575 CarbonylContact O-C 3.57Å; I572-N575 VanDerWaalsContact O-C 3.28Å; I572-P576 WeakPolarHBondContact O-CA 3.09Å; I572-P576 WeakPolarHBondContact O-CD 3.33Å; I572-P576 WeakPolarHBondContact O-CG 3.45Å; I572-P576 VanDerWaalsContact O-N 3.15Å; I572-A581 HydrophobicContact CD1-CB 4.2Å; I572-A581 HydrophobicContact CG1-CB 3.76Å; I572-Y582 HydrophobicContact CB-CE1 4.49Å; I572-Y582 HydrophobicContact CD1-CD1 3.58Å; I572-Y582 HydrophobicContact CD1-CE1 3.68Å; I572-Y582 HydrophobicContact CD1-CG 4.14Å; I572-Y582 HydrophobicContact CG1-CD1 4.22Å; I572-Y582 HydrophobicContact CG1-CE1 4.02Å; I572-Y582 HydrophobicContact CG2-CE1 3.66Å; I572-Y582 WeakPolarHBondContact CG2-OH 3.42Å; I572-R585 VanDerWaalsContact CD1-CZ 3.42Å
573D80.3Confident77.9Confident120 Ų12061.8 Ų61.864%0.64230%0.302SS*.Hα-helixtrans-68.2-36.6174.4-55.3-34.9000111.4T569 K570T569-D573 PolarHBondContact O-N 3.49Å; T569-D573 VanDerWaalsContact O-OD2 3.07Å; K570-D573 PolarHBondContact O-N 3.02Å
574Y73.8Confident78.7Confident183 Ų18361.5 Ų61.572%0.71830%0.298SS*.Hα-helixtrans-75.1-37.3174-75.3-58000113.9K570 L571K570-Y574 WeakPolarHBondContact O-CD2 3.3Å; K570-Y574 PolarHBondContact O-N 3.03Å; L571-Y574 PolarHBondContact O-N 3.32Å
575N74.8Confident79.7Confident64 Ų6461.4 Ų61.434%0.34230%0.297SS..  trans-138.891.2176.6-173.98.7000112.2L571 I572 T577 Y578L571-N575 PolarHBondContact O-N 3.49Å; I572-N575 CarbonylContact O-C 3.57Å; I572-N575 VanDerWaalsContact O-C 3.28Å; N575-T577 PolarHBondContact O-N 2.94Å; N575-T577 PolarHBondContact OD1-N 3.47Å; N575-T577 PolarHBondContact OD1-OG1 3.3Å; N575-Y578 WeakPolarHBondContact O-CB 3.47Å; N575-Y578 PolarHBondContact O-N 3.29Å; N575-Y578 VanDerWaalsContact O-N 3.14Å
576P81.1Confident80.4Confident80 Ų8058.9 Ų58.952%0.51929%0.285SS..THydrogen-bonded Turntrans-63.6-6.7179.2-25.535.5000115.9I572 Y582I572-P576 WeakPolarHBondContact O-CA 3.09Å; I572-P576 WeakPolarHBondContact O-CD 3.33Å; I572-P576 WeakPolarHBondContact O-CG 3.45Å; I572-P576 VanDerWaalsContact O-N 3.15Å; P576-Y582 WeakPolarHBondContact O-CE2 3.4Å; P576-Y582 PolarHBondContact O-OH 2.9Å
577T82.1Confident80.8Confident93 Ų9356 Ų5657%0.57128%0.275SS*.THydrogen-bonded Turntrans-99.81.9176.768.90000113.7N575 E579 L608N575-T577 PolarHBondContact O-N 2.94Å; N575-T577 PolarHBondContact OD1-N 3.47Å; N575-T577 PolarHBondContact OD1-OG1 3.3Å; T577-E579 PolarHBondContact O-N 2.92Å; T577-L608 HydrophobicContact CG2-CD2 4.46Å
578Y81.8Confident81.4Confident50 Ų5054.9 Ų54.920%0.19627%0.269CS..  trans-79.290.4-172-166.6-146.5000113.1E550 N575 L580 A581 Y582E550-Y578 PolarHBondContact OE1-OH 3.46Å; N575-Y578 WeakPolarHBondContact O-CB 3.47Å; N575-Y578 PolarHBondContact O-N 3.29Å; N575-Y578 VanDerWaalsContact O-N 3.14Å; Y578-L580 VanDerWaalsContact C-N 3.26Å; Y578-L580 HydrophobicContact CD2-CB 4.5Å; Y578-L580 HydrophobicContact CE1-CB 4.5Å; Y578-L580 HydrophobicContact CE2-CB 3.94Å; Y578-L580 PolarHBondContact O-N 3.09Å; Y578-A581 HydrophobicContact CD1-CB 3.54Å; Y578-A581 HydrophobicContact CE1-CB 4.16Å; Y578-A581 HydrophobicContact CG-CB 4.23Å; Y578-A581 PolarHBondContact O-N 3.39Å; Y578-A581 VanDerWaalsContact O-N 3.08Å; Y578-Y582 PolarHBondContact O-N 3.02Å
579E81.7Confident81.8Confident58 Ų5855.9 Ų55.927%0.27127%0.273SS..Hα-helixtrans-47.4-45.8-178.4-176.7174.3-177.400112.7T577 A581 Y582 E583 I605 N609 S612T577-E579 PolarHBondContact O-N 2.92Å; E579-A581 VanDerWaalsContact C-N 3.34Å; E579-A581 PolarHBondContact O-N 3.19Å; E579-Y582 PolarHBondContact O-N 2.94Å; E579-E583 PolarHBondContact O-N 3.08Å; E579-I605 HydrophobicContact CG-CG1 4.31Å; E579-I605 HydrophobicContact CG-CG2 3.91Å; E579-I605 WeakPolarHBondContact OE1-CG2 3.44Å; E579-N609 PolarHBondContact OE1-ND2 3.35Å; E579-N609 VanDerWaalsContact OE1-ND2 3.12Å; E579-N609 WeakPolarHBondContact OE2-CB 3.44Å; E579-N609 PolarHBondContact OE2-ND2 3.41Å; E579-S612 WeakPolarHBondContact OE1-CB 3.44Å; E579-S612 PolarHBondContact OE1-OG 3.47Å
580L81.8Confident81.7Confident62 Ų6256 Ų5633%0.32527%0.272SS..Hα-helixtrans-64.5-35.8-176.4-169.7146.4000112.4W568 Y578 E583 K584W568-L580 HydrophobicContact CH2-CD2 4.1Å; W568-L580 HydrophobicContact CZ3-CD2 4.3Å; Y578-L580 VanDerWaalsContact C-N 3.26Å; Y578-L580 HydrophobicContact CD2-CB 4.5Å; Y578-L580 HydrophobicContact CE1-CB 4.5Å; Y578-L580 HydrophobicContact CE2-CB 3.94Å; Y578-L580 PolarHBondContact O-N 3.09Å; L580-E583 PolarHBondContact O-N 3.11Å; L580-K584 HydrophobicContact CD2-CG 3.8Å; L580-K584 HydrophobicContact CG-CG 4.45Å; L580-K584 VanDerWaalsContact O-CG 3.26Å; L580-K584 WeakPolarHBondContact O-CG 3.45Å; L580-K584 PolarHBondContact O-N 2.81Å
581A82.6Confident81.9Confident0 Ų056.4 Ų56.40%027%0.274CS..Hα-helixtrans-67.1-38.2176.200000112.3W568 L571 I572 Y578 E579 R585W568-A581 HydrophobicContact CE3-CB 3.54Å; W568-A581 HydrophobicContact CZ3-CB 3.95Å; L571-A581 HydrophobicContact CB-CB 4.37Å; I572-A581 HydrophobicContact CD1-CB 4.2Å; I572-A581 HydrophobicContact CG1-CB 3.76Å; Y578-A581 HydrophobicContact CD1-CB 3.54Å; Y578-A581 HydrophobicContact CE1-CB 4.16Å; Y578-A581 HydrophobicContact CG-CB 4.23Å; Y578-A581 PolarHBondContact O-N 3.39Å; Y578-A581 VanDerWaalsContact O-N 3.08Å; E579-A581 VanDerWaalsContact C-N 3.34Å; E579-A581 PolarHBondContact O-N 3.19Å; A581-R585 WeakPolarHBondContact O-CB 3.41Å; A581-R585 PolarHBondContact O-N 3.47Å
582Y87.2Confident82.3Confident15 Ų1559.1 Ų59.16%0.05929%0.288CS..Hα-helixtrans-64.8-40.1170.4-69.3-67.3000111.5I572 P576 Y578 E579 R585 A586 D601 K604 L608I572-Y582 HydrophobicContact CB-CE1 4.49Å; I572-Y582 HydrophobicContact CD1-CD1 3.58Å; I572-Y582 HydrophobicContact CD1-CE1 3.68Å; I572-Y582 HydrophobicContact CD1-CG 4.14Å; I572-Y582 HydrophobicContact CG1-CD1 4.22Å; I572-Y582 HydrophobicContact CG1-CE1 4.02Å; I572-Y582 HydrophobicContact CG2-CE1 3.66Å; I572-Y582 WeakPolarHBondContact CG2-OH 3.42Å; P576-Y582 WeakPolarHBondContact O-CE2 3.4Å; P576-Y582 PolarHBondContact O-OH 2.9Å; Y578-Y582 PolarHBondContact O-N 3.02Å; E579-Y582 PolarHBondContact O-N 2.94Å; Y582-R585 PolarHBondContact O-N 3.38Å; Y582-A586 WeakPolarHBondContact O-CB 3.19Å; Y582-A586 PolarHBondContact O-N 3.24Å; Y582-D601 HydrophobicContact CD1-CB 4.3Å; Y582-K604 HydrophobicContact CD1-CB 4.29Å; Y582-K604 HydrophobicContact CD1-CD 4.02Å; Y582-K604 HydrophobicContact CE1-CB 4.3Å; Y582-K604 HydrophobicContact CE1-CD 3.41Å; Y582-K604 VanDerWaalsContact CE1-CD 3.41Å; Y582-K604 HydrophobicContact CE1-CG 4.5Å; Y582-K604 HydrophobicContact CG-CB 4.46Å; Y582-L608 HydrophobicContact CD2-CD1 3.87Å; Y582-L608 HydrophobicContact CE2-CD1 3.88Å
583E85.6Confident82.1Confident46 Ų4666 Ų6622%0.21532%0.318CS..Hα-helixtrans-65.4-42.7179.9-171.4-174.6-141.900111.2E579 L580 N587 I605 N614E579-E583 PolarHBondContact O-N 3.08Å; L580-E583 PolarHBondContact O-N 3.11Å; E583-N587 WeakPolarHBondContact O-CB 3.17Å; E583-N587 PolarHBondContact O-N 3.25Å; E583-N587 PolarHBondContact O-ND2 3.22Å; E583-I605 HydrophobicContact CB-CD1 3.94Å; E583-N614 PolarHBondContact OE1-ND2 2.68Å
584K83Confident82.3Confident89 Ų8964 Ų6439%0.38731%0.306SS..Hα-helixtrans-66.6-42.1176.8-61-66.1177.7-1700111.5W568 L580 N587 L588W568-K584 HydrophobicContact CD2-CB 3.83Å; W568-K584 HydrophobicContact CE3-CB 4.33Å; W568-K584 HydrophobicContact CG-CB 4.4Å; W568-K584 HydrophobicContact CH2-CB 4.04Å; W568-K584 HydrophobicContact CH2-CG 3.76Å; W568-K584 HydrophobicContact CZ2-CB 3.47Å; W568-K584 VanDerWaalsContact CZ2-CB 3.47Å; W568-K584 HydrophobicContact CZ2-CD 4.37Å; W568-K584 HydrophobicContact CZ2-CG 3.52Å; W568-K584 HydrophobicContact CZ3-CB 4.41Å; W568-K584 HydrophobicContact CZ3-CG 4.36Å; L580-K584 HydrophobicContact CD2-CG 3.8Å; L580-K584 HydrophobicContact CG-CG 4.45Å; L580-K584 VanDerWaalsContact O-CG 3.26Å; L580-K584 WeakPolarHBondContact O-CG 3.45Å; L580-K584 PolarHBondContact O-N 2.81Å; K584-N587 PolarHBondContact O-N 3.45Å; K584-L588 PolarHBondContact O-N 2.88Å
585R86.7Confident82.6Confident23 Ų2361 Ų619%0.08729%0.294CS..Hα-helixtrans-67.4-39.5176.6-159.7174.768.6-1763.1112.7W568 I572 A581 Y582 L588 Y589 D601W568-R585 HydrophobicContact CB-CB 4Å; W568-R585 HydrophobicContact CB-CG 4.22Å; W568-R585 HydrophobicContact CG-CB 4.44Å; I572-R585 VanDerWaalsContact CD1-CZ 3.42Å; A581-R585 WeakPolarHBondContact O-CB 3.41Å; A581-R585 PolarHBondContact O-N 3.47Å; Y582-R585 PolarHBondContact O-N 3.38Å; R585-L588 WeakPolarHBondContact O-CB 3.26Å; R585-L588 PolarHBondContact O-N 3.5Å; R585-Y589 HydrophobicContact CG-CD2 4.21Å; R585-Y589 HydrophobicContact CG-CE2 3.68Å; R585-Y589 VanDerWaalsContact O-CD2 3.26Å; R585-Y589 WeakPolarHBondContact O-CD2 3.49Å; R585-Y589 PolarHBondContact O-N 3.46Å; R585-D601 IonicContact CZ-OD1 3.25Å; R585-D601 IonicContact CZ-OD2 2.54Å; R585-D601 IonicContact NE-OD1 3.01Å; R585-D601 IonicContact NE-OD2 3.28Å; R585-D601 PolarHBondContact NE-OD2 3.38Å; R585-D601 VanDerWaalsContact NH2-CG 3.34Å; R585-D601 IonicContact NH2-OD1 2.88Å; R585-D601 PolarHBondContact NH2-OD1 3.44Å; R585-D601 IonicContact NH2-OD2 2.67Å; R585-D601 PolarHBondContact NH2-OD2 2.98Å; R585-D601 VanDerWaalsContact NH2-OD2 3.15Å
586A86.3Confident83Confident0 Ų063.5 Ų63.50%030%0.303CS..Hα-helixtrans-62.8-43.3173.900000112Y582 L588 Y589 L590 A598 D601 F602Y582-A586 WeakPolarHBondContact O-CB 3.19Å; Y582-A586 PolarHBondContact O-N 3.24Å; A586-L588 VanDerWaalsContact C-N 3.31Å; A586-L588 PolarHBondContact O-N 3.03Å; A586-Y589 PolarHBondContact O-N 3.27Å; A586-L590 WeakPolarHBondContact O-CG 3.36Å; A586-L590 PolarHBondContact O-N 3.3Å; A586-A598 WeakPolarHBondContact O-CB 3.35Å; A586-D601 HydrophobicContact CB-CB 3.82Å; A586-F602 HydrophobicContact CB-CD1 3.98Å; A586-F602 HydrophobicContact CB-CD2 4.08Å; A586-F602 HydrophobicContact CB-CE1 3.65Å; A586-F602 HydrophobicContact CB-CE2 3.75Å; A586-F602 HydrophobicContact CB-CG 4.17Å; A586-F602 HydrophobicContact CB-CZ 3.51Å
587N84Confident83.2Confident64 Ų6463.3 Ų63.334%0.34230%0.295SS..Hα-helixtrans-65.4-31.5174.4-78.8-60000112.8E583 K584 L590 K591E583-N587 WeakPolarHBondContact O-CB 3.17Å; E583-N587 PolarHBondContact O-N 3.25Å; E583-N587 PolarHBondContact O-ND2 3.22Å; K584-N587 PolarHBondContact O-N 3.45Å; N587-L590 PolarHBondContact O-N 3.39Å; N587-K591 WeakPolarHBondContact O-CG 3.31Å; N587-K591 PolarHBondContact O-N 3.3Å
588L83.8Confident83.4Confident1 Ų159 Ų591%0.00527%0.269CS..Hα-helixtrans-66.7-45.8170.1-82.2159.9000112.4E564 W568 K584 R585 A586 L590 K591 L592E564-L588 HydrophobicContact CB-CD1 4Å; E564-L588 HydrophobicContact CB-CD2 4.29Å; E564-L588 HydrophobicContact CG-CD1 3.66Å; E564-L588 HydrophobicContact CG-CD2 4.15Å; E564-L588 HydrophobicContact CG-CG 4.47Å; E564-L588 WeakPolarHBondContact OE1-CD1 3.35Å; E564-L588 WeakPolarHBondContact OE1-CD2 3.4Å; E564-L588 VanDerWaalsContact OE2-CD2 3.29Å; E564-L588 WeakPolarHBondContact OE2-CD2 3.49Å; W568-L588 VanDerWaalsContact CD1-CD1 3.44Å; K584-L588 PolarHBondContact O-N 2.88Å; R585-L588 WeakPolarHBondContact O-CB 3.26Å; R585-L588 PolarHBondContact O-N 3.5Å; A586-L588 VanDerWaalsContact C-N 3.31Å; A586-L588 PolarHBondContact O-N 3.03Å; L588-L590 PolarHBondContact O-N 2.9Å; L588-K591 HydrophobicContact CD2-CD 4.17Å; L588-K591 WeakPolarHBondContact O-CB 3.45Å; L588-K591 PolarHBondContact O-N 3.04Å; L588-K591 VanDerWaalsContact O-N 3.11Å; L588-L592 WeakPolarHBondContact O-CB 3.36Å; L588-L592 WeakPolarHBondContact O-CG 3.5Å; L588-L592 PolarHBondContact O-N 3.12Å
589Y86.8Confident83.7Confident26 Ų2658 Ų5810%0.10227%0.265CS..Hα-helixtrans-59.8-34.9173-68.7-45.9000112M565 R585 A586 L592 K593 M594 Q597 D601M565-Y589 HydrophobicContact SD-CE1 3.59Å; M565-Y589 VanDerWaalsContact SD-CE1 3.59Å; R585-Y589 HydrophobicContact CG-CD2 4.21Å; R585-Y589 HydrophobicContact CG-CE2 3.68Å; R585-Y589 VanDerWaalsContact O-CD2 3.26Å; R585-Y589 WeakPolarHBondContact O-CD2 3.49Å; R585-Y589 PolarHBondContact O-N 3.46Å; A586-Y589 PolarHBondContact O-N 3.27Å; Y589-L592 CarbonylContact O-C 3.58Å; Y589-L592 PolarHBondContact O-N 2.92Å; Y589-K593 CarbonylContact O-C 3.55Å; Y589-K593 PolarHBondContact O-N 3.41Å; Y589-K593 VanDerWaalsContact O-N 3.13Å; Y589-M594 HydrophobicContact CD1-CB 3.97Å; Y589-M594 HydrophobicContact CD1-SD 4.03Å; Y589-M594 HydrophobicContact CE1-SD 4.39Å; Y589-M594 HydrophobicContact CG-CB 4.43Å; Y589-M594 PolarHBondContact O-N 2.65Å; Y589-Q597 HydrophobicContact CD1-CB 3.8Å; Y589-Q597 VanDerWaalsContact CD2-C 3.49Å; Y589-Q597 HydrophobicContact CD2-CB 3.64Å; Y589-Q597 HydrophobicContact CE1-CB 3.94Å; Y589-Q597 HydrophobicContact CE2-CB 3.76Å; Y589-Q597 HydrophobicContact CG-CB 3.66Å; Y589-D601 WeakPolarHBondContact CE2-OD2 3.36Å
590L82.2Confident84.1Confident44 Ų4458.2 Ų58.223%0.2327%0.27CS..Hα-helixtrans-64.8-45.5170.7-68.9-178.8000112.7A586 N587 L588 L592 K593 Y595 A598 F602A586-L590 WeakPolarHBondContact O-CG 3.36Å; A586-L590 PolarHBondContact O-N 3.3Å; N587-L590 PolarHBondContact O-N 3.39Å; L588-L590 PolarHBondContact O-N 2.9Å; L590-L592 VanDerWaalsContact C-N 3.28Å; L590-L592 PolarHBondContact O-N 3.42Å; L590-K593 PolarHBondContact O-N 2.92Å; L590-K593 VanDerWaalsContact O-N 3.11Å; L590-Y595 HydrophobicContact CD2-CD1 3.88Å; L590-Y595 HydrophobicContact CD2-CE1 4.32Å; L590-A598 HydrophobicContact CD2-CB 3.73Å; L590-A598 HydrophobicContact CG-CB 3.89Å; L590-F602 HydrophobicContact CD1-CE2 3.86Å; L590-F602 HydrophobicContact CD1-CZ 3.91Å; L590-F602 HydrophobicContact CG-CE2 4.18Å
591K79.7Confident84.4Confident146 Ų14655.4 Ų55.464%0.63526%0.255SS*.Hα-helixtrans-57.9-41.2174.2-71.9175.1-178.61760111.8N587 L588 K593N587-K591 WeakPolarHBondContact O-CG 3.31Å; N587-K591 PolarHBondContact O-N 3.3Å; L588-K591 HydrophobicContact CD2-CD 4.17Å; L588-K591 WeakPolarHBondContact O-CB 3.45Å; L588-K591 PolarHBondContact O-N 3.04Å; L588-K591 VanDerWaalsContact O-N 3.11Å; K591-K593 PolarHBondContact O-N 3.31Å
592L80.6Confident84.8Confident69 Ų6955.6 Ų55.636%0.36126%0.256SS..THydrogen-bonded Turntrans-79.42.1179.1-65.2171.6000113.7L588 Y589 L590 M594L588-L592 WeakPolarHBondContact O-CB 3.36Å; L588-L592 WeakPolarHBondContact O-CG 3.5Å; L588-L592 PolarHBondContact O-N 3.12Å; Y589-L592 CarbonylContact O-C 3.58Å; Y589-L592 PolarHBondContact O-N 2.92Å; L590-L592 VanDerWaalsContact C-N 3.28Å; L590-L592 PolarHBondContact O-N 3.42Å; L592-M594 HydrophobicContact CB-CG 3.8Å; L592-M594 HydrophobicContact CB-SD 4.01Å; L592-M594 HydrophobicContact CD1-SD 4.12Å; L592-M594 PolarHBondContact O-N 2.96Å
593K78.6Confident84.8Confident154 Ų15457.7 Ų57.767%0.6727%0.267SS*.THydrogen-bonded Turntrans58.218-173.2-52.6-178.3-178.5178.40114.8Y589 L590 K591 Y595Y589-K593 CarbonylContact O-C 3.55Å; Y589-K593 PolarHBondContact O-N 3.41Å; Y589-K593 VanDerWaalsContact O-N 3.13Å; L590-K593 PolarHBondContact O-N 2.92Å; L590-K593 VanDerWaalsContact O-N 3.11Å; K591-K593 PolarHBondContact O-N 3.31Å; K593-Y595 HydrophobicContact CB-CE2 3.8Å; K593-Y595 HydrophobicContact CG-CE2 4.49Å; K593-Y595 WeakPolarHBondContact O-CD2 3.48Å; K593-Y595 WeakPolarHBondContact O-CE2 3.21Å; K593-Y595 PolarHBondContact O-N 3.44Å
594M83.1Confident84.9Confident78 Ų7859.7 Ų59.738%0.38428%0.275SS..  trans-82.855.3178.4-55.7-176.891.700110.7Y589 L592 H596 Q597 A598Y589-M594 HydrophobicContact CD1-CB 3.97Å; Y589-M594 HydrophobicContact CD1-SD 4.03Å; Y589-M594 HydrophobicContact CE1-SD 4.39Å; Y589-M594 HydrophobicContact CG-CB 4.43Å; Y589-M594 PolarHBondContact O-N 2.65Å; L592-M594 HydrophobicContact CB-CG 3.8Å; L592-M594 HydrophobicContact CB-SD 4.01Å; L592-M594 HydrophobicContact CD1-SD 4.12Å; L592-M594 PolarHBondContact O-N 2.96Å; M594-H596 VanDerWaalsContact C-N 3.26Å; M594-H596 PolarHBondContact O-N 3.26Å; M594-H596 VanDerWaalsContact O-N 3.08Å; M594-Q597 HydrophobicContact CB-CB 4.41Å; M594-Q597 PolarHBondContact O-N 2.97Å; M594-Q597 PolarHBondContact SD-OE1 3.48Å; M594-A598 PolarHBondContact O-N 3.48Å; M594-A598 VanDerWaalsContact O-N 3.17Å
595Y80.4Confident85.2Confident120 Ų12055.6 Ų55.647%0.47126%0.257SS..Hα-helixtrans-53.7-35.9-166-59.8-70.5000114.6L590 K593 A598 Y599 Y622L590-Y595 HydrophobicContact CD2-CD1 3.88Å; L590-Y595 HydrophobicContact CD2-CE1 4.32Å; K593-Y595 HydrophobicContact CB-CE2 3.8Å; K593-Y595 HydrophobicContact CG-CE2 4.49Å; K593-Y595 WeakPolarHBondContact O-CD2 3.48Å; K593-Y595 WeakPolarHBondContact O-CE2 3.21Å; K593-Y595 PolarHBondContact O-N 3.44Å; Y595-A598 PolarHBondContact O-N 3.02Å; Y595-Y599 WeakPolarHBondContact O-CB 3.48Å; Y595-Y599 PolarHBondContact O-N 3.5Å; Y595-Y622 WeakPolarHBondContact O-CE2 3.31Å
596H83.9Confident85.2Confident116 Ų11655.5 Ų55.554%0.53726%0.259SS..Hα-helixtrans-66.2-37.4177.7-169.5-53.5000112.5M594 Y599 T600 Y622M594-H596 VanDerWaalsContact C-N 3.26Å; M594-H596 PolarHBondContact O-N 3.26Å; M594-H596 VanDerWaalsContact O-N 3.08Å; H596-Y599 PolarHBondContact O-N 2.9Å; H596-T600 PolarHBondContact O-N 3.41Å; H596-T600 PolarHBondContact O-OG1 2.9Å; H596-Y622 WeakPolarHBondContact CA-OH 3.21Å; H596-Y622 PolarHBondContact CD2-OH 3.47Å; H596-Y622 VanDerWaalsContact CD2-OH 3.27Å
597Q85.3Confident85.2Confident76 Ų7661.9 Ų61.936%0.35529%0.293SS..Hα-helixtrans-74.2-38179.7-65.8174.1-14.100110.6Y589 M594 Y599 T600 D601Y589-Q597 HydrophobicContact CD1-CB 3.8Å; Y589-Q597 VanDerWaalsContact CD2-C 3.49Å; Y589-Q597 HydrophobicContact CD2-CB 3.64Å; Y589-Q597 HydrophobicContact CE1-CB 3.94Å; Y589-Q597 HydrophobicContact CE2-CB 3.76Å; Y589-Q597 HydrophobicContact CG-CB 3.66Å; M594-Q597 HydrophobicContact CB-CB 4.41Å; M594-Q597 PolarHBondContact O-N 2.97Å; M594-Q597 PolarHBondContact SD-OE1 3.48Å; Q597-Y599 VanDerWaalsContact C-N 3.35Å; Q597-Y599 PolarHBondContact O-N 3.31Å; Q597-T600 WeakPolarHBondContact CA-OG1 3.32Å; Q597-T600 PolarHBondContact O-N 3.18Å; Q597-T600 PolarHBondContact O-OG1 3.23Å; Q597-D601 PolarHBondContact O-N 2.94Å
598A87.1Confident85.2Confident1 Ų162.4 Ų62.41%0.00830%0.295CS..Hα-helixtrans-56-48.7168.300000111.4A586 L590 M594 Y595 T600 D601 F602A586-A598 WeakPolarHBondContact O-CB 3.35Å; L590-A598 HydrophobicContact CD2-CB 3.73Å; L590-A598 HydrophobicContact CG-CB 3.89Å; M594-A598 PolarHBondContact O-N 3.48Å; M594-A598 VanDerWaalsContact O-N 3.17Å; Y595-A598 PolarHBondContact O-N 3.02Å; A598-T600 PolarHBondContact O-N 2.7Å; A598-D601 PolarHBondContact O-N 3.49Å; A598-F602 HydrophobicContact CB-CD2 4.35Å; A598-F602 HydrophobicContact CB-CE2 4.05Å; A598-F602 WeakPolarHBondContact O-CD2 3.23Å; A598-F602 PolarHBondContact O-N 2.89Å
599Y88.1Confident85.2Confident31 Ų3164.9 Ų64.912%0.12231%0.308CS..Hα-helixtrans-60.4-40.4177.6175.2-106.4000113.1Y595 H596 Q597 D601 F602 M603 C619 Y622 K623Y595-Y599 WeakPolarHBondContact O-CB 3.48Å; Y595-Y599 PolarHBondContact O-N 3.5Å; H596-Y599 PolarHBondContact O-N 2.9Å; Q597-Y599 VanDerWaalsContact C-N 3.35Å; Q597-Y599 PolarHBondContact O-N 3.31Å; Y599-D601 VanDerWaalsContact C-N 3.28Å; Y599-D601 PolarHBondContact O-N 3.22Å; Y599-F602 PolarHBondContact O-N 3.23Å; Y599-M603 HydrophobicContact CD1-CG 4.27Å; Y599-M603 HydrophobicContact CD2-CG 4.18Å; Y599-M603 HydrophobicContact CE1-CG 3.81Å; Y599-M603 HydrophobicContact CE1-SD 4.5Å; Y599-M603 HydrophobicContact CE2-CG 3.74Å; Y599-M603 HydrophobicContact CE2-SD 3.91Å; Y599-M603 HydrophobicContact CG-CG 4.44Å; Y599-M603 WeakPolarHBondContact O-CB 3.37Å; Y599-M603 VanDerWaalsContact O-CG 3.27Å; Y599-M603 WeakPolarHBondContact O-CG 3.49Å; Y599-M603 PolarHBondContact O-N 3.31Å; Y599-M603 PolarHBondContact OH-SD 2.85Å; Y599-C619 HydrophobicContact CD2-CB 4.39Å; Y599-C619 HydrophobicContact CE2-CB 4.11Å; Y599-Y622 AromaticContact CD1-CD1 3.8Å; Y599-Y622 HydrophobicContact CD1-CD1 3.8Å; Y599-Y622 AromaticContact CD1-CE1 3.41Å; Y599-Y622 HydrophobicContact CD1-CE1 3.41Å; Y599-Y622 VanDerWaalsContact CD1-CE1 3.41Å; Y599-Y622 AromaticContact CD2-CD1 3.22Å; Y599-Y622 HydrophobicContact CD2-CD1 3.22Å; Y599-Y622 AromaticContact CD2-CE1 3.8Å; Y599-Y622 HydrophobicContact CD2-CE1 3.8Å; Y599-Y622 AromaticContact CD2-CG 3.78Å; Y599-Y622 HydrophobicContact CD2-CG 3.78Å; Y599-Y622 HydrophobicContact CE1-CD1 4.29Å; Y599-Y622 AromaticContact CE1-CE1 3.98Å; Y599-Y622 HydrophobicContact CE1-CE1 3.98Å; Y599-Y622 AromaticContact CE2-CD1 3.76Å; Y599-Y622 HydrophobicContact CE2-CD1 3.76Å; Y599-Y622 HydrophobicContact CE2-CE1 4.29Å; Y599-Y622 AromaticContact CG-CD1 3.23Å; Y599-Y622 HydrophobicContact CG-CD1 3.23Å; Y599-Y622 HydrophobicContact CG-CD2 4.44Å; Y599-Y622 AromaticContact CG-CE1 3.31Å; Y599-Y622 HydrophobicContact CG-CE1 3.31Å; Y599-Y622 AromaticContact CG-CG 3.82Å; Y599-Y622 HydrophobicContact CG-CG 3.82Å; Y599-Y622 AromaticContact CG-CZ 3.98Å; Y599-K623 WeakPolarHBondContact OH-CE 3.43Å; Y599-K623 PolarHBondContact OH-NZ 3.19Å
600T88.4Confident84.9Confident61 Ų6167.7 Ų67.737%0.37433%0.33SS..Hα-helixtrans-64.6-31.5176.7460000113.3H596 Q597 A598 K604H596-T600 PolarHBondContact O-N 3.41Å; H596-T600 PolarHBondContact O-OG1 2.9Å; Q597-T600 WeakPolarHBondContact CA-OG1 3.32Å; Q597-T600 PolarHBondContact O-N 3.18Å; Q597-T600 PolarHBondContact O-OG1 3.23Å; A598-T600 PolarHBondContact O-N 2.7Å; T600-K604 WeakPolarHBondContact O-CG 3.27Å; T600-K604 PolarHBondContact O-N 3.31Å
601D89.6Confident84.9Confident3 Ų373 Ų732%0.01635%0.351CS..Hα-helixtrans-79.8-37.8174.9-77.7-15000112.2Y582 R585 A586 Y589 Q597 A598 Y599 M603 K604 I605Y582-D601 HydrophobicContact CD1-CB 4.3Å; R585-D601 IonicContact CZ-OD1 3.25Å; R585-D601 IonicContact CZ-OD2 2.54Å; R585-D601 IonicContact NE-OD1 3.01Å; R585-D601 IonicContact NE-OD2 3.28Å; R585-D601 PolarHBondContact NE-OD2 3.38Å; R585-D601 VanDerWaalsContact NH2-CG 3.34Å; R585-D601 IonicContact NH2-OD1 2.88Å; R585-D601 PolarHBondContact NH2-OD1 3.44Å; R585-D601 IonicContact NH2-OD2 2.67Å; R585-D601 PolarHBondContact NH2-OD2 2.98Å; R585-D601 VanDerWaalsContact NH2-OD2 3.15Å; A586-D601 HydrophobicContact CB-CB 3.82Å; Y589-D601 WeakPolarHBondContact CE2-OD2 3.36Å; Q597-D601 PolarHBondContact O-N 2.94Å; A598-D601 PolarHBondContact O-N 3.49Å; Y599-D601 VanDerWaalsContact C-N 3.28Å; Y599-D601 PolarHBondContact O-N 3.22Å; D601-M603 VanDerWaalsContact C-N 3.28Å; D601-M603 PolarHBondContact O-N 3.17Å; D601-K604 WeakPolarHBondContact O-CB 3.33Å; D601-K604 PolarHBondContact O-N 3.38Å; D601-I605 WeakPolarHBondContact O-CG1 3.01Å; D601-I605 PolarHBondContact O-N 3.3Å
602F89.9Confident85.2Confident4 Ų466.7 Ų66.72%0.01833%0.325CS..Hα-helixtrans-61.5-35.7170.3-68.2-56.5000112.5A586 L590 A598 Y599 K604 I605 L606 A615 Q618A586-F602 HydrophobicContact CB-CD1 3.98Å; A586-F602 HydrophobicContact CB-CD2 4.08Å; A586-F602 HydrophobicContact CB-CE1 3.65Å; A586-F602 HydrophobicContact CB-CE2 3.75Å; A586-F602 HydrophobicContact CB-CG 4.17Å; A586-F602 HydrophobicContact CB-CZ 3.51Å; L590-F602 HydrophobicContact CD1-CE2 3.86Å; L590-F602 HydrophobicContact CD1-CZ 3.91Å; L590-F602 HydrophobicContact CG-CE2 4.18Å; A598-F602 HydrophobicContact CB-CD2 4.35Å; A598-F602 HydrophobicContact CB-CE2 4.05Å; A598-F602 WeakPolarHBondContact O-CD2 3.23Å; A598-F602 PolarHBondContact O-N 2.89Å; Y599-F602 PolarHBondContact O-N 3.23Å; F602-K604 VanDerWaalsContact C-N 3.34Å; F602-K604 PolarHBondContact O-N 3.23Å; F602-I605 HydrophobicContact CD1-CD1 3.89Å; F602-I605 HydrophobicContact CE1-CD1 4.43Å; F602-I605 PolarHBondContact O-N 3.09Å; F602-L606 WeakPolarHBondContact O-CG 3.43Å; F602-L606 PolarHBondContact O-N 3.46Å; F602-A615 HydrophobicContact CB-CB 4.25Å; F602-A615 HydrophobicContact CD1-CB 4Å; F602-Q618 HydrophobicContact CD1-CB 4.19Å; F602-Q618 HydrophobicContact CD2-CB 3.65Å; F602-Q618 HydrophobicContact CD2-CG 4.47Å; F602-Q618 HydrophobicContact CE1-CB 4.09Å; F602-Q618 HydrophobicContact CE1-CG 4.03Å; F602-Q618 HydrophobicContact CE2-CB 3.54Å; F602-Q618 HydrophobicContact CE2-CG 3.9Å; F602-Q618 HydrophobicContact CG-CB 4Å; F602-Q618 HydrophobicContact CZ-CB 3.78Å; F602-Q618 HydrophobicContact CZ-CG 3.66Å
603M88.4Confident85.5Confident60 Ų6066.2 Ų66.230%0.29632%0.32SS..Hα-helixtrans-65.1-34.8171.7-73.5-69.8-68.200112.6Y599 D601 L606 N607 Y635Y599-M603 HydrophobicContact CD1-CG 4.27Å; Y599-M603 HydrophobicContact CD2-CG 4.18Å; Y599-M603 HydrophobicContact CE1-CG 3.81Å; Y599-M603 HydrophobicContact CE1-SD 4.5Å; Y599-M603 HydrophobicContact CE2-CG 3.74Å; Y599-M603 HydrophobicContact CE2-SD 3.91Å; Y599-M603 HydrophobicContact CG-CG 4.44Å; Y599-M603 WeakPolarHBondContact O-CB 3.37Å; Y599-M603 VanDerWaalsContact O-CG 3.27Å; Y599-M603 WeakPolarHBondContact O-CG 3.49Å; Y599-M603 PolarHBondContact O-N 3.31Å; Y599-M603 PolarHBondContact OH-SD 2.85Å; D601-M603 VanDerWaalsContact C-N 3.28Å; D601-M603 PolarHBondContact O-N 3.17Å; M603-L606 PolarHBondContact O-N 3.48Å; M603-N607 VanDerWaalsContact O-CG 3.29Å; M603-N607 PolarHBondContact O-N 2.98Å; M603-N607 VanDerWaalsContact O-N 3.14Å; M603-N607 PolarHBondContact O-OD1 3.31Å; M603-Y635 PolarHBondContact SD-OH 3.48Å
604K87.6Confident85.8Confident88 Ų8862.6 Ų62.638%0.38331%0.308SS..Hα-helixtrans-68.6-40.1172.3-73.1179.3178.6-176.50112.1Y582 T600 D601 F602 L606 N607 L608Y582-K604 HydrophobicContact CD1-CB 4.29Å; Y582-K604 HydrophobicContact CD1-CD 4.02Å; Y582-K604 HydrophobicContact CE1-CB 4.3Å; Y582-K604 HydrophobicContact CE1-CD 3.41Å; Y582-K604 VanDerWaalsContact CE1-CD 3.41Å; Y582-K604 HydrophobicContact CE1-CG 4.5Å; Y582-K604 HydrophobicContact CG-CB 4.46Å; T600-K604 WeakPolarHBondContact O-CG 3.27Å; T600-K604 PolarHBondContact O-N 3.31Å; D601-K604 WeakPolarHBondContact O-CB 3.33Å; D601-K604 PolarHBondContact O-N 3.38Å; F602-K604 VanDerWaalsContact C-N 3.34Å; F602-K604 PolarHBondContact O-N 3.23Å; K604-L606 VanDerWaalsContact C-N 3.32Å; K604-L606 PolarHBondContact O-N 3.28Å; K604-N607 PolarHBondContact O-N 2.75Å; K604-N607 VanDerWaalsContact O-N 3.14Å; K604-L608 WeakPolarHBondContact O-CG 3.46Å; K604-L608 PolarHBondContact O-N 3.4Å
605I89Confident86Confident2 Ų258.9 Ų58.91%0.0129%0.29CS..Hα-helixtrans-58.7-44.4173.1-67.2162000110.6E579 E583 D601 F602 N607 L608 N609 S612 A615E579-I605 HydrophobicContact CG-CG1 4.31Å; E579-I605 HydrophobicContact CG-CG2 3.91Å; E579-I605 WeakPolarHBondContact OE1-CG2 3.44Å; E583-I605 HydrophobicContact CB-CD1 3.94Å; D601-I605 WeakPolarHBondContact O-CG1 3.01Å; D601-I605 PolarHBondContact O-N 3.3Å; F602-I605 HydrophobicContact CD1-CD1 3.89Å; F602-I605 HydrophobicContact CE1-CD1 4.43Å; F602-I605 PolarHBondContact O-N 3.09Å; I605-N607 VanDerWaalsContact C-N 3.29Å; I605-N607 PolarHBondContact O-N 3.1Å; I605-L608 PolarHBondContact O-N 2.85Å; I605-N609 CarbonylContact O-C 3.58Å; I605-N609 WeakPolarHBondContact O-CA 3.47Å; I605-N609 PolarHBondContact O-N 2.9Å; I605-S612 WeakPolarHBondContact CG2-OG 3.29Å; I605-A615 HydrophobicContact CB-CB 3.87Å; I605-A615 HydrophobicContact CG2-CB 3.49Å; I605-A615 VanDerWaalsContact CG2-CB 3.49Å
606L85.5Confident86.5Confident22 Ų2253.5 Ų53.512%0.11527%0.269CS..Hα-helixtrans-65-29.1176.3-68.7176.8000113.8F602 M603 K604 N609 P610 A615 Q616 C619 Y635F602-L606 WeakPolarHBondContact O-CG 3.43Å; F602-L606 PolarHBondContact O-N 3.46Å; M603-L606 PolarHBondContact O-N 3.48Å; K604-L606 VanDerWaalsContact C-N 3.32Å; K604-L606 PolarHBondContact O-N 3.28Å; L606-N609 CarbonylContact O-C 3.54Å; L606-P610 VanDerWaalsContact O-CA 3.22Å; L606-P610 WeakPolarHBondContact O-CA 3.49Å; L606-A615 HydrophobicContact CD2-CB 3.85Å; L606-A615 HydrophobicContact CG-CB 3.88Å; L606-Q616 HydrophobicContact CD2-CB 4.37Å; L606-Q616 HydrophobicContact CD2-CG 3.5Å; L606-Q616 VanDerWaalsContact CD2-CG 3.5Å; L606-C619 HydrophobicContact CD1-CB 4.34Å; L606-Y635 HydrophobicContact CD1-CE1 3.91Å
607N86.8Confident86.8Confident134 Ų13448.9 Ų48.972%0.71725%0.248SC*.Hα-helixtrans-74.7-32174.3-68.9-10.1000112.6M603 K604 I605M603-N607 VanDerWaalsContact O-CG 3.29Å; M603-N607 PolarHBondContact O-N 2.98Å; M603-N607 VanDerWaalsContact O-N 3.14Å; M603-N607 PolarHBondContact O-OD1 3.31Å; K604-N607 PolarHBondContact O-N 2.75Å; K604-N607 VanDerWaalsContact O-N 3.14Å; I605-N607 VanDerWaalsContact C-N 3.29Å; I605-N607 PolarHBondContact O-N 3.1Å
608L84.7Confident87Confident74 Ų7447.7 Ų47.739%0.38724%0.242SC..Hα-helixtrans-79.3-41.7175.1-66.9170.3000111.9T577 Y582 K604 I605T577-L608 HydrophobicContact CG2-CD2 4.46Å; Y582-L608 HydrophobicContact CD2-CD1 3.87Å; Y582-L608 HydrophobicContact CE2-CD1 3.88Å; K604-L608 WeakPolarHBondContact O-CG 3.46Å; K604-L608 PolarHBondContact O-N 3.4Å; I605-L608 PolarHBondContact O-N 2.85Å
609N83.1Confident87.1Confident53 Ų5347.7 Ų47.728%0.28324%0.242SC..  trans-14186.3-173.6-177.4-2.4000109.7E579 I605 L606 K611 S612E579-N609 PolarHBondContact OE1-ND2 3.35Å; E579-N609 VanDerWaalsContact OE1-ND2 3.12Å; E579-N609 WeakPolarHBondContact OE2-CB 3.44Å; E579-N609 PolarHBondContact OE2-ND2 3.41Å; I605-N609 CarbonylContact O-C 3.58Å; I605-N609 WeakPolarHBondContact O-CA 3.47Å; I605-N609 PolarHBondContact O-N 2.9Å; L606-N609 CarbonylContact O-C 3.54Å; N609-K611 PolarHBondContact O-N 3.36Å; N609-K611 PolarHBondContact OD1-N 3.06Å; N609-S612 WeakPolarHBondContact O-CB 3.16Å; N609-S612 PolarHBondContact O-N 3.27Å; N609-S612 PolarHBondContact OD1-N 3.1Å
610P82Confident87.1Confident86 Ų8646.2 Ų46.256%0.55824%0.236SC*.THydrogen-bonded Turntrans-65.8-10.3-177.124.9-34.5000113.9L606 Q616L606-P610 VanDerWaalsContact O-CA 3.22Å; L606-P610 WeakPolarHBondContact O-CA 3.49Å; P610-Q616 PolarHBondContact O-NE2 3.34Å
611K81.3Confident87.2Confident156 Ų15644.4 Ų44.468%0.67822%0.224SC*.THydrogen-bonded Turntrans-94.13.1175.4-60.2-179.7-178.5176.10113N609 F613N609-K611 PolarHBondContact O-N 3.36Å; N609-K611 PolarHBondContact OD1-N 3.06Å; K611-F613 PolarHBondContact O-N 2.88Å
612S85.4Confident87.1Confident13 Ų1345.4 Ų45.49%0.09123%0.228CC..  trans-68.697.7-176.3-164.30000111.5E579 I605 N609 N614 A615 Q616E579-S612 WeakPolarHBondContact OE1-CB 3.44Å; E579-S612 PolarHBondContact OE1-OG 3.47Å; I605-S612 WeakPolarHBondContact CG2-OG 3.29Å; N609-S612 WeakPolarHBondContact O-CB 3.16Å; N609-S612 PolarHBondContact O-N 3.27Å; N609-S612 PolarHBondContact OD1-N 3.1Å; S612-N614 VanDerWaalsContact C-N 3.33Å; S612-N614 PolarHBondContact O-N 3.04Å; S612-A615 PolarHBondContact O-N 3.15Å; S612-A615 VanDerWaalsContact O-N 3.15Å; S612-Q616 PolarHBondContact O-N 3.38Å
613F86.6Confident87.1Confident58 Ų5846.6 Ų46.625%0.25423%0.233SC..Hα-helixtrans-51.8-46.4-175.4169-89.7000113.1K611 A615 Q616 F617 V639 N643 H646K611-F613 PolarHBondContact O-N 2.88Å; F613-A615 PolarHBondContact O-N 2.65Å; F613-Q616 PolarHBondContact O-N 2.99Å; F613-F617 WeakPolarHBondContact O-CB 3.44Å; F613-F617 PolarHBondContact O-N 3.24Å; F613-V639 HydrophobicContact CD2-CG1 4.01Å; F613-V639 HydrophobicContact CE2-CG1 3.53Å; F613-V639 HydrophobicContact CZ-CG1 4.27Å; F613-N643 HydrophobicContact CD2-CB 4.21Å; F613-N643 HydrophobicContact CE2-CB 3.79Å; F613-H646 AromaticContact CZ-CD2 3.82Å; F613-H646 AromaticContact CZ-CE1 3.86Å; F613-H646 AromaticContact CZ-CG 3.89Å; F613-H646 AromaticContact CZ-ND1 3.92Å; F613-H646 AromaticContact CZ-NE2 3.81Å
614N85.5Confident87.1Confident78 Ų7844.1 Ų44.142%0.41722%0.221SC..Hα-helixtrans-59.7-47.8179.3-76.9-8.4000111.1E583 S612 F617 Q618E583-N614 PolarHBondContact OE1-ND2 2.68Å; S612-N614 VanDerWaalsContact C-N 3.33Å; S612-N614 PolarHBondContact O-N 3.04Å; N614-F617 PolarHBondContact O-N 3.36Å; N614-Q618 WeakPolarHBondContact O-CB 3.43Å; N614-Q618 VanDerWaalsContact O-CG 3.26Å; N614-Q618 WeakPolarHBondContact O-CG 3.32Å; N614-Q618 PolarHBondContact O-N 3.17Å
615A87.5Confident87Confident1 Ų144.1 Ų44.11%0.00822%0.222CC..Hα-helixtrans-68.2-38.1-177.900000112.6F602 I605 L606 S612 F613 C619F602-A615 HydrophobicContact CB-CB 4.25Å; F602-A615 HydrophobicContact CD1-CB 4Å; I605-A615 HydrophobicContact CB-CB 3.87Å; I605-A615 HydrophobicContact CG2-CB 3.49Å; I605-A615 VanDerWaalsContact CG2-CB 3.49Å; L606-A615 HydrophobicContact CD2-CB 3.85Å; L606-A615 HydrophobicContact CG-CB 3.88Å; S612-A615 PolarHBondContact O-N 3.15Å; S612-A615 VanDerWaalsContact O-N 3.15Å; F613-A615 PolarHBondContact O-N 2.65Å; A615-C619 VanDerWaalsContact O-CB 3.31Å; A615-C619 WeakPolarHBondContact O-CB 3.42Å; A615-C619 PolarHBondContact O-N 2.8Å; A615-C619 PolarHBondContact O-SG 3.4Å
616Q90.3Very high86.8Confident6 Ų649 Ų493%0.02825%0.246CC..Hα-helixtrans-61.7-46.9173.8-67.4-177.64.600111.2L606 P610 S612 F613 C619 G620 M638 V639 H642L606-Q616 HydrophobicContact CD2-CB 4.37Å; L606-Q616 HydrophobicContact CD2-CG 3.5Å; L606-Q616 VanDerWaalsContact CD2-CG 3.5Å; P610-Q616 PolarHBondContact O-NE2 3.34Å; S612-Q616 PolarHBondContact O-N 3.38Å; F613-Q616 PolarHBondContact O-N 2.99Å; Q616-C619 PolarHBondContact O-N 2.87Å; Q616-G620 PolarHBondContact O-N 2.95Å; Q616-M638 PolarHBondContact OE1-O 3.5Å; Q616-V639 HydrophobicContact CB-CG2 3.61Å; Q616-H642 PolarHBondContact NE2-CD2 2.94Å; Q616-H642 PolarHBondContact NE2-NE2 3.22Å; Q616-H642 VanDerWaalsContact NE2-NE2 3.12Å; Q616-H642 PolarHBondContact OE1-CD2 3.03Å
617F91Very high86.7Confident20 Ų2052 Ų529%0.08826%0.258CS..Hα-helixtrans-66.4-43.6-178.8-176.8-118.1000112.4F613 N614 G620 L621 F636 V639 H646 E648 A649 Y652F613-F617 WeakPolarHBondContact O-CB 3.44Å; F613-F617 PolarHBondContact O-N 3.24Å; N614-F617 PolarHBondContact O-N 3.36Å; F617-G620 PolarHBondContact O-N 2.74Å; F617-L621 HydrophobicContact CD1-CD1 4.04Å; F617-L621 HydrophobicContact CE1-CD1 3.67Å; F617-L621 HydrophobicContact CE1-CG 4.37Å; F617-L621 HydrophobicContact CE2-CG 4.49Å; F617-L621 HydrophobicContact CZ-CD1 4Å; F617-L621 HydrophobicContact CZ-CD2 4.37Å; F617-L621 HydrophobicContact CZ-CG 4.29Å; F617-L621 WeakPolarHBondContact O-CG 3.37Å; F617-L621 PolarHBondContact O-N 2.87Å; F617-F636 HydrophobicContact CD2-CD1 4.01Å; F617-F636 AromaticContact CD2-CE1 3.8Å; F617-F636 HydrophobicContact CD2-CE1 3.8Å; F617-F636 HydrophobicContact CE2-CD1 4.26Å; F617-F636 AromaticContact CE2-CE1 3.86Å; F617-F636 HydrophobicContact CE2-CE1 3.86Å; F617-V639 HydrophobicContact CB-CG1 4.49Å; F617-V639 HydrophobicContact CB-CG2 3.89Å; F617-V639 HydrophobicContact CD2-CG1 4.4Å; F617-H646 AromaticContact CE2-CE1 3.78Å; F617-H646 AromaticContact CZ-CE1 3.84Å; F617-E648 HydrophobicContact CE2-CB 4.5Å; F617-E648 HydrophobicContact CZ-CB 4.11Å; F617-A649 HydrophobicContact CD2-CB 4.18Å; F617-A649 HydrophobicContact CE2-CB 4.08Å; F617-Y652 HydrophobicContact CE2-CD2 4.31Å; F617-Y652 HydrophobicContact CZ-CD2 4.31Å; F617-Y652 HydrophobicContact CZ-CE2 4.34Å
618Q89.4Confident86.8Confident51 Ų5147.4 Ų47.424%0.23823%0.234CC..Hα-helixtrans-67.5-35.2176.9-65.6-66.6-8.800112.5F602 N614 L621 Y622F602-Q618 HydrophobicContact CD1-CB 4.19Å; F602-Q618 HydrophobicContact CD2-CB 3.65Å; F602-Q618 HydrophobicContact CD2-CG 4.47Å; F602-Q618 HydrophobicContact CE1-CB 4.09Å; F602-Q618 HydrophobicContact CE1-CG 4.03Å; F602-Q618 HydrophobicContact CE2-CB 3.54Å; F602-Q618 HydrophobicContact CE2-CG 3.9Å; F602-Q618 HydrophobicContact CG-CB 4Å; F602-Q618 HydrophobicContact CZ-CB 3.78Å; F602-Q618 HydrophobicContact CZ-CG 3.66Å; N614-Q618 WeakPolarHBondContact O-CB 3.43Å; N614-Q618 VanDerWaalsContact O-CG 3.26Å; N614-Q618 WeakPolarHBondContact O-CG 3.32Å; N614-Q618 PolarHBondContact O-N 3.17Å; Q618-L621 PolarHBondContact O-N 3.44Å; Q618-Y622 WeakPolarHBondContact O-CB 3.25Å; Q618-Y622 PolarHBondContact O-N 3.33Å
619C88.5Confident87Confident0 Ų046.3 Ų46.30%022%0.224CC..Hα-helixtrans-63.5-40.2169.9-71.70000112.1Y599 L606 A615 Q616 Y622 K623 Y635Y599-C619 HydrophobicContact CD2-CB 4.39Å; Y599-C619 HydrophobicContact CE2-CB 4.11Å; L606-C619 HydrophobicContact CD1-CB 4.34Å; A615-C619 VanDerWaalsContact O-CB 3.31Å; A615-C619 WeakPolarHBondContact O-CB 3.42Å; A615-C619 PolarHBondContact O-N 2.8Å; A615-C619 PolarHBondContact O-SG 3.4Å; Q616-C619 PolarHBondContact O-N 2.87Å; C619-Y622 PolarHBondContact O-N 2.94Å; C619-K623 WeakPolarHBondContact O-CG 3.41Å; C619-K623 PolarHBondContact O-N 3.04Å; C619-Y635 HydrophobicContact CB-CD1 3.79Å; C619-Y635 HydrophobicContact CB-CD2 4.08Å; C619-Y635 HydrophobicContact CB-CE1 3.68Å; C619-Y635 HydrophobicContact CB-CE2 4Å; C619-Y635 HydrophobicContact CB-CG 4Å
620G89.4Confident87.3Confident0 Ų053.1 Ų53.10%025%0.246CC..Hα-helixtrans-60.4-46.717300000112.8Q616 F617 K623 F624 F636Q616-G620 PolarHBondContact O-N 2.95Å; F617-G620 PolarHBondContact O-N 2.74Å; G620-K623 PolarHBondContact O-N 3.48Å; G620-F624 WeakPolarHBondContact O-CB 3.46Å; G620-F624 PolarHBondContact O-N 3.46Å; G620-F636 WeakPolarHBondContact O-CZ 3.27Å
621L89Confident87.6Confident23 Ų2353.9 Ų53.912%0.1224%0.241CC..Hα-helixtrans-61.9-45.3175.6-70.7175000112F617 Q618 K623 F624 H625 F636 Y652F617-L621 HydrophobicContact CD1-CD1 4.04Å; F617-L621 HydrophobicContact CE1-CD1 3.67Å; F617-L621 HydrophobicContact CE1-CG 4.37Å; F617-L621 HydrophobicContact CE2-CG 4.49Å; F617-L621 HydrophobicContact CZ-CD1 4Å; F617-L621 HydrophobicContact CZ-CD2 4.37Å; F617-L621 HydrophobicContact CZ-CG 4.29Å; F617-L621 WeakPolarHBondContact O-CG 3.37Å; F617-L621 PolarHBondContact O-N 2.87Å; Q618-L621 PolarHBondContact O-N 3.44Å; L621-K623 VanDerWaalsContact C-N 3.35Å; L621-K623 PolarHBondContact O-N 2.82Å; L621-F624 WeakPolarHBondContact O-CB 3.33Å; L621-F624 PolarHBondContact O-N 2.87Å; L621-F624 VanDerWaalsContact O-N 3.13Å; L621-H625 PolarHBondContact O-CD2 3.34Å; L621-H625 VanDerWaalsContact O-CD2 3.3Å; L621-H625 PolarHBondContact O-N 2.83Å; L621-F636 HydrophobicContact CD2-CE1 4.38Å; L621-F636 HydrophobicContact CD2-CZ 4.16Å; L621-F636 HydrophobicContact CG-CE1 4.38Å; L621-F636 HydrophobicContact CG-CZ 4.41Å; L621-Y652 HydrophobicContact CD2-CD1 3.86Å; L621-Y652 HydrophobicContact CD2-CD2 3.68Å; L621-Y652 HydrophobicContact CD2-CE1 3.77Å; L621-Y652 HydrophobicContact CD2-CE2 3.6Å; L621-Y652 HydrophobicContact CD2-CG 3.83Å
622Y88.7Confident88.1Confident24 Ų2446.5 Ų46.59%0.09421%0.208CC..Hα-helixtrans-60.1-42.8176.8179-102.3000112.3Y595 H596 Y599 Q618 C619 F624 H625 M626Y595-Y622 WeakPolarHBondContact O-CE2 3.31Å; H596-Y622 WeakPolarHBondContact CA-OH 3.21Å; H596-Y622 PolarHBondContact CD2-OH 3.47Å; H596-Y622 VanDerWaalsContact CD2-OH 3.27Å; Y599-Y622 AromaticContact CD1-CD1 3.8Å; Y599-Y622 HydrophobicContact CD1-CD1 3.8Å; Y599-Y622 AromaticContact CD1-CE1 3.41Å; Y599-Y622 HydrophobicContact CD1-CE1 3.41Å; Y599-Y622 VanDerWaalsContact CD1-CE1 3.41Å; Y599-Y622 AromaticContact CD2-CD1 3.22Å; Y599-Y622 HydrophobicContact CD2-CD1 3.22Å; Y599-Y622 AromaticContact CD2-CE1 3.8Å; Y599-Y622 HydrophobicContact CD2-CE1 3.8Å; Y599-Y622 AromaticContact CD2-CG 3.78Å; Y599-Y622 HydrophobicContact CD2-CG 3.78Å; Y599-Y622 HydrophobicContact CE1-CD1 4.29Å; Y599-Y622 AromaticContact CE1-CE1 3.98Å; Y599-Y622 HydrophobicContact CE1-CE1 3.98Å; Y599-Y622 AromaticContact CE2-CD1 3.76Å; Y599-Y622 HydrophobicContact CE2-CD1 3.76Å; Y599-Y622 HydrophobicContact CE2-CE1 4.29Å; Y599-Y622 AromaticContact CG-CD1 3.23Å; Y599-Y622 HydrophobicContact CG-CD1 3.23Å; Y599-Y622 HydrophobicContact CG-CD2 4.44Å; Y599-Y622 AromaticContact CG-CE1 3.31Å; Y599-Y622 HydrophobicContact CG-CE1 3.31Å; Y599-Y622 AromaticContact CG-CG 3.82Å; Y599-Y622 HydrophobicContact CG-CG 3.82Å; Y599-Y622 AromaticContact CG-CZ 3.98Å; Q618-Y622 WeakPolarHBondContact O-CB 3.25Å; Q618-Y622 PolarHBondContact O-N 3.33Å; C619-Y622 PolarHBondContact O-N 2.94Å; Y622-F624 VanDerWaalsContact C-N 3.34Å; Y622-H625 PolarHBondContact O-N 3.39Å; Y622-M626 HydrophobicContact CD1-CG 4.34Å; Y622-M626 HydrophobicContact CD2-CG 4.44Å; Y622-M626 HydrophobicContact CE1-CG 3.98Å; Y622-M626 HydrophobicContact CE2-CE 3.81Å; Y622-M626 HydrophobicContact CE2-CG 4.07Å; Y622-M626 WeakPolarHBondContact O-CB 3.21Å; Y622-M626 WeakPolarHBondContact O-CG 3.48Å; Y622-M626 PolarHBondContact O-N 3.17Å
623K89.1Confident88.4Confident29 Ų2946.7 Ų46.713%0.12621%0.209CC..Hα-helixtrans-70-28.6174.9-66.5-55.7-177.8-175.40113.4Y599 C619 G620 L621 K627 D628 K631 A632 Y635Y599-K623 WeakPolarHBondContact OH-CE 3.43Å; Y599-K623 PolarHBondContact OH-NZ 3.19Å; C619-K623 WeakPolarHBondContact O-CG 3.41Å; C619-K623 PolarHBondContact O-N 3.04Å; G620-K623 PolarHBondContact O-N 3.48Å; L621-K623 VanDerWaalsContact C-N 3.35Å; L621-K623 PolarHBondContact O-N 2.82Å; K623-K627 PolarHBondContact O-N 3.27Å; K623-D628 HydrophobicContact CB-CB 4.32Å; K623-D628 HydrophobicContact CD-CB 4.07Å; K623-D628 IonicContact NZ-OD2 2.72Å; K623-D628 PolarHBondContact O-N 2.99Å; K623-K631 HydrophobicContact CB-CB 4.46Å; K623-K631 HydrophobicContact CD-CB 4.42Å; K623-K631 HydrophobicContact CG-CB 4.1Å; K623-A632 HydrophobicContact CB-CB 3.88Å; K623-Y635 HydrophobicContact CG-CD2 4.07Å; K623-Y635 HydrophobicContact CG-CE2 3.86Å
624F89.1Confident88.7Confident9 Ų946.9 Ų46.94%0.03922%0.215CC..Hα-helixtrans-66.3-45.7171.5175.9-95.8000111.6G620 L621 Y622 K627 W629 A632 F636 Y652 R655G620-F624 WeakPolarHBondContact O-CB 3.46Å; G620-F624 PolarHBondContact O-N 3.46Å; L621-F624 WeakPolarHBondContact O-CB 3.33Å; L621-F624 PolarHBondContact O-N 2.87Å; L621-F624 VanDerWaalsContact O-N 3.13Å; Y622-F624 VanDerWaalsContact C-N 3.34Å; F624-K627 PolarHBondContact O-N 2.98Å; F624-W629 AromaticContact CD2-CE3 3.88Å; F624-W629 HydrophobicContact CD2-CE3 3.88Å; F624-W629 AromaticContact CD2-CZ3 3.57Å; F624-W629 HydrophobicContact CD2-CZ3 3.57Å; F624-W629 HydrophobicContact CE2-CE3 4.05Å; F624-W629 AromaticContact CE2-CZ3 3.5Å; F624-W629 HydrophobicContact CE2-CZ3 3.5Å; F624-W629 HydrophobicContact CG-CZ3 4.25Å; F624-W629 HydrophobicContact CZ-CZ3 4.13Å; F624-W629 WeakPolarHBondContact O-CZ3 3.49Å; F624-A632 HydrophobicContact CB-CB 4.33Å; F624-F636 HydrophobicContact CB-CE2 4.33Å; F624-F636 HydrophobicContact CB-CZ 4.45Å; F624-Y652 HydrophobicContact CD1-CD1 4.13Å; F624-Y652 HydrophobicContact CD1-CE1 4.44Å; F624-Y652 HydrophobicContact CE1-CD1 4.29Å; F624-Y652 HydrophobicContact CE1-CE1 4.46Å; F624-Y652 HydrophobicContact CG-CD1 4.36Å; F624-R655 HydrophobicContact CD2-CB 4.44Å; F624-R655 HydrophobicContact CE2-CB 3.49Å; F624-R655 VanDerWaalsContact CE2-CB 3.49Å; F624-R655 HydrophobicContact CE2-CG 4.47Å; F624-R655 HydrophobicContact CZ-CB 3.9Å; F624-R655 HydrophobicContact CZ-CG 4.45Å
625H84.8Confident88.9Confident87 Ų8744.7 Ų44.740%0.40320%0.201SC..Hα-helixtrans-61.1-54.2173.4-81.3-72000111.1E342 L621 Y622 K627E342-H625 WeakPolarHBondContact OE2-CA 3.47Å; E342-H625 IonicContact OE2-CG 2.73Å; E342-H625 IonicContact OE2-ND1 2.66Å; E342-H625 PolarHBondContact OE2-ND1 3.2Å; L621-H625 PolarHBondContact O-CD2 3.34Å; L621-H625 VanDerWaalsContact O-CD2 3.3Å; L621-H625 PolarHBondContact O-N 2.83Å; Y622-H625 PolarHBondContact O-N 3.39Å; H625-K627 WeakPolarHBondContact O-CG 3.39Å; H625-K627 PolarHBondContact O-N 2.72Å
626M85.2Confident89.2Confident104 Ų10444.7 Ų44.751%0.51220%0.201SC..THydrogen-bonded Turntrans-64.814.1176.6-68.6-74.2170.400115.6Y622 D628Y622-M626 HydrophobicContact CD1-CG 4.34Å; Y622-M626 HydrophobicContact CD2-CG 4.44Å; Y622-M626 HydrophobicContact CE1-CG 3.98Å; Y622-M626 HydrophobicContact CE2-CE 3.81Å; Y622-M626 HydrophobicContact CE2-CG 4.07Å; Y622-M626 WeakPolarHBondContact O-CB 3.21Å; Y622-M626 WeakPolarHBondContact O-CG 3.48Å; Y622-M626 PolarHBondContact O-N 3.17Å; M626-D628 PolarHBondContact O-N 3.5Å
627K83.2Confident89.3Confident86 Ų8649.3 Ų49.337%0.37422%0.223SC..THydrogen-bonded Turntrans57.912.8174.7-52.1164.8-164.6156.90114.9L341 E342 K623 F624 H625 W629L341-K627 WeakPolarHBondContact O-CE 3.34Å; L341-K627 PolarHBondContact O-NZ 3.44Å; E342-K627 WeakPolarHBondContact OE1-CE 3.35Å; E342-K627 IonicContact OE1-NZ 2.69Å; K623-K627 PolarHBondContact O-N 3.27Å; F624-K627 PolarHBondContact O-N 2.98Å; H625-K627 WeakPolarHBondContact O-CG 3.39Å; H625-K627 PolarHBondContact O-N 2.72Å; K627-W629 HydrophobicContact CB-CH2 4.09Å; K627-W629 HydrophobicContact CB-CZ2 3.61Å; K627-W629 HydrophobicContact CG-CH2 3.99Å; K627-W629 HydrophobicContact CG-CZ2 3.79Å; K627-W629 VanDerWaalsContact O-CD1 3.23Å; K627-W629 PolarHBondContact O-N 2.81Å; K627-W629 PolarHBondContact O-NE1 3.37Å
628D88.9Confident89.2Confident38 Ų3852.9 Ų52.920%0.20324%0.241CC..  trans-8560.3180-169.3-4.9000109.2K623 M626 R630 K631 A632K623-D628 HydrophobicContact CB-CB 4.32Å; K623-D628 HydrophobicContact CD-CB 4.07Å; K623-D628 IonicContact NZ-OD2 2.72Å; K623-D628 PolarHBondContact O-N 2.99Å; M626-D628 PolarHBondContact O-N 3.5Å; D628-R630 PolarHBondContact O-N 2.94Å; D628-K631 PolarHBondContact O-N 3.47Å; D628-K631 WeakPolarHBondContact OD1-CG 3.21Å; D628-K631 IonicContact OD1-NZ 3.4Å; D628-K631 PolarHBondContact OD1-NZ 3.41Å; D628-K631 VanDerWaalsContact OD1-NZ 3.08Å; D628-K631 VanDerWaalsContact OD2-CD 3.23Å; D628-K631 WeakPolarHBondContact OD2-CD 3.37Å; D628-K631 WeakPolarHBondContact OD2-CE 3.31Å; D628-K631 IonicContact OD2-NZ 2.78Å; D628-K631 PolarHBondContact OD2-NZ 3.24Å; D628-A632 PolarHBondContact O-N 3.24Å
629W89.1Confident89.2Confident50 Ų5050.5 Ų50.519%0.18923%0.229CC..Hα-helixtrans-54.5-30.8-169.5-41.1115.2000112.7F624 K627 V633 C656 K659 L660F624-W629 AromaticContact CD2-CE3 3.88Å; F624-W629 HydrophobicContact CD2-CE3 3.88Å; F624-W629 AromaticContact CD2-CZ3 3.57Å; F624-W629 HydrophobicContact CD2-CZ3 3.57Å; F624-W629 HydrophobicContact CE2-CE3 4.05Å; F624-W629 AromaticContact CE2-CZ3 3.5Å; F624-W629 HydrophobicContact CE2-CZ3 3.5Å; F624-W629 HydrophobicContact CG-CZ3 4.25Å; F624-W629 HydrophobicContact CZ-CZ3 4.13Å; F624-W629 WeakPolarHBondContact O-CZ3 3.49Å; K627-W629 HydrophobicContact CB-CH2 4.09Å; K627-W629 HydrophobicContact CB-CZ2 3.61Å; K627-W629 HydrophobicContact CG-CH2 3.99Å; K627-W629 HydrophobicContact CG-CZ2 3.79Å; K627-W629 VanDerWaalsContact O-CD1 3.23Å; K627-W629 PolarHBondContact O-N 2.81Å; K627-W629 PolarHBondContact O-NE1 3.37Å; W629-V633 WeakPolarHBondContact O-CG2 3.4Å; W629-V633 PolarHBondContact O-N 3.35Å; W629-C656 HydrophobicContact CB-CB 4.42Å; W629-K659 HydrophobicContact CD2-CB 3.52Å; W629-K659 HydrophobicContact CD2-CG 3.81Å; W629-K659 HydrophobicContact CE3-CB 4.04Å; W629-K659 HydrophobicContact CE3-CG 3.89Å; W629-K659 HydrophobicContact CG-CB 3.75Å; W629-K659 HydrophobicContact CH2-CD 4.08Å; W629-K659 HydrophobicContact CH2-CG 3.87Å; W629-K659 HydrophobicContact CZ2-CB 4.11Å; W629-K659 HydrophobicContact CZ2-CD 3.82Å; W629-K659 HydrophobicContact CZ2-CG 3.76Å; W629-K659 HydrophobicContact CZ3-CG 3.92Å; W629-L660 HydrophobicContact CB-CD1 3.97Å; W629-L660 HydrophobicContact CB-CD2 3.97Å; W629-L660 HydrophobicContact CB-CG 3.72Å; W629-L660 HydrophobicContact CG-CG 4.48Å
630R90.2Very high89.3Confident197 Ų19751.4 Ų51.474%0.74323%0.234SC*.Hα-helixtrans-66-48.3177.9-66.3-174.7-179.4179.61.2111.7D628 T634 L660D628-R630 PolarHBondContact O-N 2.94Å; R630-T634 PolarHBondContact O-N 3.33Å; R630-L660 HydrophobicContact CG-CD2 4.11Å
631K88.4Confident89.2Confident102 Ų10256.9 Ų56.944%0.44327%0.268SS..Hα-helixtrans-73.7-32.2177.3-61.7-169.2-158.370.20112K623 D628 T634 Y635K623-K631 HydrophobicContact CB-CB 4.46Å; K623-K631 HydrophobicContact CD-CB 4.42Å; K623-K631 HydrophobicContact CG-CB 4.1Å; D628-K631 PolarHBondContact O-N 3.47Å; D628-K631 WeakPolarHBondContact OD1-CG 3.21Å; D628-K631 IonicContact OD1-NZ 3.4Å; D628-K631 PolarHBondContact OD1-NZ 3.41Å; D628-K631 VanDerWaalsContact OD1-NZ 3.08Å; D628-K631 VanDerWaalsContact OD2-CD 3.23Å; D628-K631 WeakPolarHBondContact OD2-CD 3.37Å; D628-K631 WeakPolarHBondContact OD2-CE 3.31Å; D628-K631 IonicContact OD2-NZ 2.78Å; D628-K631 PolarHBondContact OD2-NZ 3.24Å; K631-T634 WeakPolarHBondContact CA-OG1 3.4Å; K631-T634 PolarHBondContact O-N 3.19Å; K631-T634 PolarHBondContact O-OG1 2.97Å; K631-Y635 WeakPolarHBondContact O-CD2 3.35Å; K631-Y635 PolarHBondContact O-N 3.4Å; K631-Y635 VanDerWaalsContact O-N 3.13Å
632A91.7Very high88.9Confident0 Ų060 Ų600%028%0.281CS..Hα-helixtrans-59-46.2173.100000111.8K623 F624 D628 T634 Y635 F636 C656K623-A632 HydrophobicContact CB-CB 3.88Å; F624-A632 HydrophobicContact CB-CB 4.33Å; D628-A632 PolarHBondContact O-N 3.24Å; A632-T634 PolarHBondContact O-N 3.16Å; A632-Y635 PolarHBondContact O-N 3.03Å; A632-F636 HydrophobicContact CB-CD2 4.47Å; A632-F636 HydrophobicContact CB-CE2 4.12Å; A632-F636 WeakPolarHBondContact O-CD2 3.42Å; A632-F636 WeakPolarHBondContact O-CG 3.44Å; A632-F636 PolarHBondContact O-N 2.92Å; A632-C656 VanDerWaalsContact CB-SG 3.5Å
633V91.3Very high88.8Confident17 Ų1761.4 Ų61.410%0.10329%0.29CS..Hα-helixtrans-56.6-46.6174.5168.60000111.8W629 Y635 F636 Q637 L653 C656 L657 L660W629-V633 WeakPolarHBondContact O-CG2 3.4Å; W629-V633 PolarHBondContact O-N 3.35Å; V633-Y635 PolarHBondContact O-N 2.68Å; V633-F636 PolarHBondContact O-N 2.58Å; V633-Q637 HydrophobicContact CG1-CG 4.23Å; V633-Q637 WeakPolarHBondContact O-CB 3.27Å; V633-Q637 VanDerWaalsContact O-CG 3.31Å; V633-Q637 WeakPolarHBondContact O-CG 3.23Å; V633-Q637 PolarHBondContact O-N 3.08Å; V633-L653 HydrophobicContact CG1-CD1 4.46Å; V633-C656 HydrophobicContact CG2-CB 3.5Å; V633-C656 VanDerWaalsContact CG2-CB 3.5Å; V633-L657 HydrophobicContact CG2-CD2 4.48Å; V633-L657 HydrophobicContact CG2-CG 4.49Å; V633-L660 HydrophobicContact CG2-CD1 4.16Å
634T91.7Very high88.7Confident63 Ų6363.1 Ų63.139%0.38731%0.305SS..Hα-helixtrans-63.7-40.4-178.548.60000112.7R630 K631 A632 Q637 M638R630-T634 PolarHBondContact O-N 3.33Å; K631-T634 WeakPolarHBondContact CA-OG1 3.4Å; K631-T634 PolarHBondContact O-N 3.19Å; K631-T634 PolarHBondContact O-OG1 2.97Å; A632-T634 PolarHBondContact O-N 3.16Å; T634-Q637 PolarHBondContact O-N 3.38Å; T634-M638 WeakPolarHBondContact O-CG 3.4Å; T634-M638 PolarHBondContact O-N 3.09Å; T634-M638 VanDerWaalsContact O-N 3.12Å
635Y91.1Very high88.7Confident32 Ų3265.5 Ų65.513%0.12532%0.323CS..Hα-helixtrans-64.9-45.7175.2-75.1-63.5000111.9M603 L606 C619 K623 K631 A632 V633 Q637 M638 V639M603-Y635 PolarHBondContact SD-OH 3.48Å; L606-Y635 HydrophobicContact CD1-CE1 3.91Å; C619-Y635 HydrophobicContact CB-CD1 3.79Å; C619-Y635 HydrophobicContact CB-CD2 4.08Å; C619-Y635 HydrophobicContact CB-CE1 3.68Å; C619-Y635 HydrophobicContact CB-CE2 4Å; C619-Y635 HydrophobicContact CB-CG 4Å; K623-Y635 HydrophobicContact CG-CD2 4.07Å; K623-Y635 HydrophobicContact CG-CE2 3.86Å; K631-Y635 WeakPolarHBondContact O-CD2 3.35Å; K631-Y635 PolarHBondContact O-N 3.4Å; K631-Y635 VanDerWaalsContact O-N 3.13Å; A632-Y635 PolarHBondContact O-N 3.03Å; V633-Y635 PolarHBondContact O-N 2.68Å; Y635-Q637 VanDerWaalsContact C-N 3.29Å; Y635-Q637 PolarHBondContact O-N 2.99Å; Y635-M638 HydrophobicContact CD1-SD 4.47Å; Y635-M638 PolarHBondContact O-N 3.32Å; Y635-V639 WeakPolarHBondContact O-CG2 3.48Å; Y635-V639 PolarHBondContact O-N 3.21Å; Y635-V639 VanDerWaalsContact O-N 3.07Å
636F93.3Very high89.1Confident0 Ų062.9 Ų62.90%031%0.31CS..Hα-helixtrans-66.5-29.4177.7-63.9-52.5000112.9F617 G620 L621 F624 A632 V633 V639 L640 A649 Y652 L653F617-F636 HydrophobicContact CD2-CD1 4.01Å; F617-F636 AromaticContact CD2-CE1 3.8Å; F617-F636 HydrophobicContact CD2-CE1 3.8Å; F617-F636 HydrophobicContact CE2-CD1 4.26Å; F617-F636 AromaticContact CE2-CE1 3.86Å; F617-F636 HydrophobicContact CE2-CE1 3.86Å; G620-F636 WeakPolarHBondContact O-CZ 3.27Å; L621-F636 HydrophobicContact CD2-CE1 4.38Å; L621-F636 HydrophobicContact CD2-CZ 4.16Å; L621-F636 HydrophobicContact CG-CE1 4.38Å; L621-F636 HydrophobicContact CG-CZ 4.41Å; F624-F636 HydrophobicContact CB-CE2 4.33Å; F624-F636 HydrophobicContact CB-CZ 4.45Å; A632-F636 HydrophobicContact CB-CD2 4.47Å; A632-F636 HydrophobicContact CB-CE2 4.12Å; A632-F636 WeakPolarHBondContact O-CD2 3.42Å; A632-F636 WeakPolarHBondContact O-CG 3.44Å; A632-F636 PolarHBondContact O-N 2.92Å; V633-F636 PolarHBondContact O-N 2.58Å; F636-V639 PolarHBondContact O-N 3.08Å; F636-L640 VanDerWaalsContact O-CG 3.26Å; F636-L640 WeakPolarHBondContact O-CG 3.45Å; F636-L640 PolarHBondContact O-N 2.88Å; F636-L640 VanDerWaalsContact O-N 3.15Å; F636-A649 HydrophobicContact CD1-CB 4.24Å; F636-Y652 HydrophobicContact CZ-CG 4.11Å; F636-L653 HydrophobicContact CB-CB 3.81Å; F636-L653 HydrophobicContact CB-CD1 3.89Å; F636-L653 HydrophobicContact CB-CG 4.4Å; F636-L653 HydrophobicContact CD2-CB 4.26Å; F636-L653 HydrophobicContact CG-CB 4.32Å
637Q91.8Very high89.4Confident104 Ų10461.3 Ų61.349%0.48630%0.299SS..Hα-helixtrans-65.1-43.1171.1-75.4176.9-37.800111.9V633 T634 Y635 V639 L640 V641 L653V633-Q637 HydrophobicContact CG1-CG 4.23Å; V633-Q637 WeakPolarHBondContact O-CB 3.27Å; V633-Q637 VanDerWaalsContact O-CG 3.31Å; V633-Q637 WeakPolarHBondContact O-CG 3.23Å; V633-Q637 PolarHBondContact O-N 3.08Å; T634-Q637 PolarHBondContact O-N 3.38Å; Y635-Q637 VanDerWaalsContact C-N 3.29Å; Y635-Q637 PolarHBondContact O-N 2.99Å; Q637-V639 PolarHBondContact O-N 2.92Å; Q637-L640 PolarHBondContact O-N 2.89Å; Q637-V641 PolarHBondContact O-N 3.31Å; Q637-V641 VanDerWaalsContact O-N 3.1Å; Q637-L653 HydrophobicContact CG-CD1 3.63Å
638M88.7Confident89.8Confident95 Ų9559.4 Ų59.447%0.46829%0.291SS..Hα-helixtrans-60.3-44.7175-65.8166.4176.700111.6Q616 T634 Y635 L640 V641 H642Q616-M638 PolarHBondContact OE1-O 3.5Å; T634-M638 WeakPolarHBondContact O-CG 3.4Å; T634-M638 PolarHBondContact O-N 3.09Å; T634-M638 VanDerWaalsContact O-N 3.12Å; Y635-M638 HydrophobicContact CD1-SD 4.47Å; Y635-M638 PolarHBondContact O-N 3.32Å; M638-L640 VanDerWaalsContact C-N 3.25Å; M638-L640 PolarHBondContact O-N 3.37Å; M638-V641 WeakPolarHBondContact O-CB 3.31Å; M638-V641 PolarHBondContact O-N 3.24Å; M638-V641 VanDerWaalsContact O-N 3.1Å; M638-H642 PolarHBondContact O-CD2 3.4Å; M638-H642 VanDerWaalsContact O-CD2 3.3Å; M638-H642 PolarHBondContact O-N 3.13Å
639V90.3Very high90Very high0 Ų057.6 Ų57.60%028%0.282CS..Hα-helixtrans-56.2-40.5175.8173.80000111.7F613 Q616 F617 Y635 F636 Q637 H642 N643 A649F613-V639 HydrophobicContact CD2-CG1 4.01Å; F613-V639 HydrophobicContact CE2-CG1 3.53Å; F613-V639 HydrophobicContact CZ-CG1 4.27Å; Q616-V639 HydrophobicContact CB-CG2 3.61Å; F617-V639 HydrophobicContact CB-CG1 4.49Å; F617-V639 HydrophobicContact CB-CG2 3.89Å; F617-V639 HydrophobicContact CD2-CG1 4.4Å; Y635-V639 WeakPolarHBondContact O-CG2 3.48Å; Y635-V639 PolarHBondContact O-N 3.21Å; Y635-V639 VanDerWaalsContact O-N 3.07Å; F636-V639 PolarHBondContact O-N 3.08Å; Q637-V639 PolarHBondContact O-N 2.92Å; V639-H642 PolarHBondContact O-N 2.73Å; V639-N643 PolarHBondContact O-N 3.2Å; V639-A649 HydrophobicContact CB-CB 4.34Å; V639-A649 HydrophobicContact CG1-CB 3.73Å
640L89.6Confident90.2Very high19 Ų1956.7 Ų56.710%0.09928%0.278CS..Hα-helixtrans-78.4-17.5-179.2-67.1169.9000114.2F636 Q637 M638 P644 H646 A649 R650 L653F636-L640 VanDerWaalsContact O-CG 3.26Å; F636-L640 WeakPolarHBondContact O-CG 3.45Å; F636-L640 PolarHBondContact O-N 2.88Å; F636-L640 VanDerWaalsContact O-N 3.15Å; Q637-L640 PolarHBondContact O-N 2.89Å; M638-L640 VanDerWaalsContact C-N 3.25Å; M638-L640 PolarHBondContact O-N 3.37Å; L640-P644 WeakPolarHBondContact O-CA 3.34Å; L640-P644 WeakPolarHBondContact O-CG 3.07Å; L640-H646 HydrophobicContact CD2-CB 4.35Å; L640-A649 HydrophobicContact CD2-CB 4.02Å; L640-A649 HydrophobicContact CG-CB 4.16Å; L640-R650 HydrophobicContact CD1-CG 3.78Å; L640-R650 HydrophobicContact CD2-CG 3.52Å; L640-R650 HydrophobicContact CG-CG 4.32Å; L640-L653 HydrophobicContact CD1-CD1 4.23Å
641V88.2Confident90.4Very high116 Ų11647.4 Ų47.470%0.70324%0.243SC*.Hα-helixtrans-71.5-37.2167.9171.50000110.6Q637 M638Q637-V641 PolarHBondContact O-N 3.31Å; Q637-V641 VanDerWaalsContact O-N 3.1Å; M638-V641 WeakPolarHBondContact O-CB 3.31Å; M638-V641 PolarHBondContact O-N 3.24Å; M638-V641 VanDerWaalsContact O-N 3.1Å
642H82.4Confident90.6Very high87 Ų8744 Ų4440%0.40323%0.228SC..Hα-helixtrans-81.2-35.5177.2-63.4-58.6000113.4Q616 M638 V639Q616-H642 PolarHBondContact NE2-CD2 2.94Å; Q616-H642 PolarHBondContact NE2-NE2 3.22Å; Q616-H642 VanDerWaalsContact NE2-NE2 3.12Å; Q616-H642 PolarHBondContact OE1-CD2 3.03Å; M638-H642 PolarHBondContact O-CD2 3.4Å; M638-H642 VanDerWaalsContact O-CD2 3.3Å; M638-H642 PolarHBondContact O-N 3.13Å; V639-H642 PolarHBondContact O-N 2.73Å
643N86Confident90.7Very high54 Ų5444.2 Ų44.229%0.28923%0.229SC..  trans-13884.4-179.9-171.3-7.4000111.5F613 V639 S645 H646F613-N643 HydrophobicContact CD2-CB 4.21Å; F613-N643 HydrophobicContact CE2-CB 3.79Å; V639-N643 PolarHBondContact O-N 3.2Å; N643-S645 PolarHBondContact O-N 3.27Å; N643-S645 VanDerWaalsContact O-N 3.14Å; N643-S645 PolarHBondContact OD1-OG 3.47Å; N643-S645 VanDerWaalsContact OD1-OG 3.07Å; N643-H646 HydrophobicContact CB-CB 4.2Å; N643-H646 WeakPolarHBondContact O-CB 3.33Å; N643-H646 PolarHBondContact O-N 3.23Å; N643-H646 VanDerWaalsContact O-N 3.09Å
644P88.1Confident90.8Very high66 Ų6643.4 Ų43.443%0.42922%0.224SC..THydrogen-bonded Turntrans-61.5-22.3-175.1-25.934.9000115.4L640 R650 Y676L640-P644 WeakPolarHBondContact O-CA 3.34Å; L640-P644 WeakPolarHBondContact O-CG 3.07Å; P644-R650 PolarHBondContact O-NE 3.27Å; P644-R650 PolarHBondContact O-NH2 3.36Å; P644-Y676 WeakPolarHBondContact O-CE2 3.37Å
645S89.6Confident90.8Very high59 Ų5942.1 Ų42.141%0.41321%0.212SC..THydrogen-bonded Turntrans-892.5178.655.70000114N643 Y647N643-S645 PolarHBondContact O-N 3.27Å; N643-S645 VanDerWaalsContact O-N 3.14Å; N643-S645 PolarHBondContact OD1-OG 3.47Å; N643-S645 VanDerWaalsContact OD1-OG 3.07Å; S645-Y647 PolarHBondContact O-N 3.48Å
646H91.9Very high90.8Very high32 Ų3240.6 Ų40.615%0.14821%0.206CC..  trans-71.686.8-177.6-165.1-117.5000113F613 F617 L640 N643 E648 A649 R650F613-H646 AromaticContact CZ-CD2 3.82Å; F613-H646 AromaticContact CZ-CE1 3.86Å; F613-H646 AromaticContact CZ-CG 3.89Å; F613-H646 AromaticContact CZ-ND1 3.92Å; F613-H646 AromaticContact CZ-NE2 3.81Å; F617-H646 AromaticContact CE2-CE1 3.78Å; F617-H646 AromaticContact CZ-CE1 3.84Å; L640-H646 HydrophobicContact CD2-CB 4.35Å; N643-H646 HydrophobicContact CB-CB 4.2Å; N643-H646 WeakPolarHBondContact O-CB 3.33Å; N643-H646 PolarHBondContact O-N 3.23Å; N643-H646 VanDerWaalsContact O-N 3.09Å; H646-E648 VanDerWaalsContact C-N 3.3Å; H646-E648 PolarHBondContact O-N 3.07Å; H646-A649 HydrophobicContact CB-CB 4.46Å; H646-A649 VanDerWaalsContact ND1-CB 3.34Å; H646-A649 WeakPolarHBondContact ND1-CB 3.37Å; H646-A649 PolarHBondContact ND1-N 3.34Å; H646-A649 PolarHBondContact O-N 2.9Å; H646-A649 VanDerWaalsContact O-N 3.15Å; H646-R650 PolarHBondContact O-N 3Å
647Y92.2Very high90.7Very high71 Ų7141.4 Ų41.428%0.27821%0.211SC..Hα-helixtrans-57.6-33.9-172.267.9-88000114.5S645 R650 Y651 S673 Q677 Y680S645-Y647 PolarHBondContact O-N 3.48Å; Y647-R650 PolarHBondContact O-N 2.69Å; Y647-Y651 PolarHBondContact O-N 3.02Å; Y647-Y651 VanDerWaalsContact O-N 3.08Å; Y647-S673 WeakPolarHBondContact CB-O 3.36Å; Y647-S673 PolarHBondContact O-OG 3.35Å; Y647-Q677 HydrophobicContact CD1-CB 3.72Å; Y647-Q677 HydrophobicContact CD1-CG 4.28Å; Y647-Q677 HydrophobicContact CD2-CB 3.68Å; Y647-Q677 HydrophobicContact CD2-CG 4Å; Y647-Q677 HydrophobicContact CE1-CB 4.15Å; Y647-Q677 HydrophobicContact CE1-CG 4.2Å; Y647-Q677 HydrophobicContact CE2-CB 4.1Å; Y647-Q677 HydrophobicContact CE2-CG 3.91Å; Y647-Q677 HydrophobicContact CG-CB 3.47Å; Y647-Q677 VanDerWaalsContact CG-CB 3.47Å; Y647-Q677 HydrophobicContact CG-CG 4.19Å; Y647-Y680 AromaticContact CD2-CD1 3.96Å; Y647-Y680 HydrophobicContact CD2-CD1 3.96Å; Y647-Y680 HydrophobicContact CD2-CD2 4Å; Y647-Y680 HydrophobicContact CD2-CE1 4.25Å; Y647-Y680 HydrophobicContact CD2-CE2 4.25Å; Y647-Y680 AromaticContact CD2-CG 3.84Å; Y647-Y680 HydrophobicContact CD2-CG 3.84Å; Y647-Y680 HydrophobicContact CE2-CD1 4.3Å; Y647-Y680 AromaticContact CE2-CD2 3.53Å; Y647-Y680 HydrophobicContact CE2-CD2 3.53Å; Y647-Y680 HydrophobicContact CE2-CE1 4.45Å; Y647-Y680 AromaticContact CE2-CE2 3.66Å; Y647-Y680 HydrophobicContact CE2-CE2 3.66Å; Y647-Y680 AromaticContact CE2-CG 3.86Å; Y647-Y680 HydrophobicContact CE2-CG 3.86Å
648E91.9Very high90.6Very high45 Ų4538 Ų3821%0.2120%0.195CC..Hα-helixtrans-68.1-41.6177.6-67.8-139.4127.600112F617 H646 R650 Y651 Y652 Y680F617-E648 HydrophobicContact CE2-CB 4.5Å; F617-E648 HydrophobicContact CZ-CB 4.11Å; H646-E648 VanDerWaalsContact C-N 3.3Å; H646-E648 PolarHBondContact O-N 3.07Å; E648-R650 VanDerWaalsContact C-N 3.32Å; E648-R650 PolarHBondContact O-N 2.98Å; E648-Y651 WeakPolarHBondContact O-CB 3.41Å; E648-Y651 PolarHBondContact O-N 3.44Å; E648-Y651 VanDerWaalsContact O-N 3.14Å; E648-Y652 WeakPolarHBondContact O-CD2 3.27Å; E648-Y652 PolarHBondContact O-N 2.88Å; E648-Y680 HydrophobicContact CG-CE2 4.29Å; E648-Y680 WeakPolarHBondContact OE1-CE2 3.43Å; E648-Y680 VanDerWaalsContact OE1-CZ 3.29Å; E648-Y680 PolarHBondContact OE1-OH 3.43Å
649A92.2Very high90.5Very high0 Ų035.4 Ų35.40%018%0.181CC..Hα-helixtrans-63-39.3176.900000111.6F617 F636 V639 L640 H646 Y651 Y652 L653F617-A649 HydrophobicContact CD2-CB 4.18Å; F617-A649 HydrophobicContact CE2-CB 4.08Å; F636-A649 HydrophobicContact CD1-CB 4.24Å; V639-A649 HydrophobicContact CB-CB 4.34Å; V639-A649 HydrophobicContact CG1-CB 3.73Å; L640-A649 HydrophobicContact CD2-CB 4.02Å; L640-A649 HydrophobicContact CG-CB 4.16Å; H646-A649 HydrophobicContact CB-CB 4.46Å; H646-A649 VanDerWaalsContact ND1-CB 3.34Å; H646-A649 WeakPolarHBondContact ND1-CB 3.37Å; H646-A649 PolarHBondContact ND1-N 3.34Å; H646-A649 PolarHBondContact O-N 2.9Å; H646-A649 VanDerWaalsContact O-N 3.15Å; A649-Y651 VanDerWaalsContact C-N 3.34Å; A649-Y651 PolarHBondContact O-N 3.49Å; A649-Y652 PolarHBondContact O-N 3.4Å; A649-L653 WeakPolarHBondContact O-CB 3.34Å; A649-L653 PolarHBondContact O-N 2.9Å
650R93.9Very high90.4Very high31 Ų3138.3 Ų38.312%0.11720%0.197CC..Hα-helixtrans-60.8-41.2172.6-62.1-172171.6-83.52.9112.3L640 P644 H646 Y647 E648 A654 E669 T672L640-R650 HydrophobicContact CD1-CG 3.78Å; L640-R650 HydrophobicContact CD2-CG 3.52Å; L640-R650 HydrophobicContact CG-CG 4.32Å; P644-R650 PolarHBondContact O-NE 3.27Å; P644-R650 PolarHBondContact O-NH2 3.36Å; H646-R650 PolarHBondContact O-N 3Å; Y647-R650 PolarHBondContact O-N 2.69Å; E648-R650 VanDerWaalsContact C-N 3.32Å; E648-R650 PolarHBondContact O-N 2.98Å; R650-A654 WeakPolarHBondContact O-CB 3.18Å; R650-A654 PolarHBondContact O-N 3.31Å; R650-E669 IonicContact CZ-OE2 3.91Å; R650-E669 IonicContact NH1-OE1 3.89Å; R650-E669 PolarHBondContact NH1-OE1 3.12Å; R650-E669 IonicContact NH1-OE2 3.62Å; R650-E669 PolarHBondContact NH1-OE2 3.13Å; R650-T672 WeakPolarHBondContact CD-OG1 3.42Å; R650-T672 PolarHBondContact NH1-OG1 3.46Å
651Y94Very high90.2Very high3 Ų344.7 Ų44.71%0.01222%0.224CC..Hα-helixtrans-64.9-48.8176.5165.8-104.9000113Y647 E648 A649 A654 R655 L670 Y680 K682 A683 T686Y647-Y651 PolarHBondContact O-N 3.02Å; Y647-Y651 VanDerWaalsContact O-N 3.08Å; E648-Y651 WeakPolarHBondContact O-CB 3.41Å; E648-Y651 PolarHBondContact O-N 3.44Å; E648-Y651 VanDerWaalsContact O-N 3.14Å; A649-Y651 VanDerWaalsContact C-N 3.34Å; A649-Y651 PolarHBondContact O-N 3.49Å; Y651-A654 WeakPolarHBondContact O-CB 3.42Å; Y651-A654 PolarHBondContact O-N 3.02Å; Y651-R655 HydrophobicContact CE1-CG 4.39Å; Y651-R655 HydrophobicContact CE2-CG 4.22Å; Y651-R655 PolarHBondContact O-N 3.4Å; Y651-L670 HydrophobicContact CD2-CD2 3.98Å; Y651-Y680 AromaticContact CD1-CE1 3.78Å; Y651-Y680 HydrophobicContact CD1-CE1 3.78Å; Y651-Y680 HydrophobicContact CD2-CE1 4.07Å; Y651-Y680 HydrophobicContact CE1-CE1 4.38Å; Y651-Y680 HydrophobicContact CG-CD1 4.48Å; Y651-Y680 AromaticContact CG-CE1 3.59Å; Y651-Y680 HydrophobicContact CG-CE1 3.59Å; Y651-K682 HydrophobicContact CE1-CB 4.24Å; Y651-K682 HydrophobicContact CE1-CD 4.3Å; Y651-K682 HydrophobicContact CE2-CB 3.99Å; Y651-K682 WeakPolarHBondContact CE2-O 3.37Å; Y651-A683 HydrophobicContact CD2-CB 3.79Å; Y651-A683 HydrophobicContact CE2-CB 4.41Å; Y651-T686 HydrophobicContact CE2-CG2 3.89Å
652Y93.6Very high90.2Very high30 Ų3042.3 Ų42.312%0.11821%0.207CC..Hα-helixtrans-67.3-37.8178.1-73.4-74.9000111.9F617 L621 F624 F636 E648 A649 A654 R655 C656F617-Y652 HydrophobicContact CE2-CD2 4.31Å; F617-Y652 HydrophobicContact CZ-CD2 4.31Å; F617-Y652 HydrophobicContact CZ-CE2 4.34Å; L621-Y652 HydrophobicContact CD2-CD1 3.86Å; L621-Y652 HydrophobicContact CD2-CD2 3.68Å; L621-Y652 HydrophobicContact CD2-CE1 3.77Å; L621-Y652 HydrophobicContact CD2-CE2 3.6Å; L621-Y652 HydrophobicContact CD2-CG 3.83Å; F624-Y652 HydrophobicContact CD1-CD1 4.13Å; F624-Y652 HydrophobicContact CD1-CE1 4.44Å; F624-Y652 HydrophobicContact CE1-CD1 4.29Å; F624-Y652 HydrophobicContact CE1-CE1 4.46Å; F624-Y652 HydrophobicContact CG-CD1 4.36Å; F636-Y652 HydrophobicContact CZ-CG 4.11Å; E648-Y652 WeakPolarHBondContact O-CD2 3.27Å; E648-Y652 PolarHBondContact O-N 2.88Å; A649-Y652 PolarHBondContact O-N 3.4Å; Y652-A654 VanDerWaalsContact C-N 3.31Å; Y652-A654 PolarHBondContact O-N 3.15Å; Y652-R655 PolarHBondContact O-N 3.44Å; Y652-R655 VanDerWaalsContact O-N 3.16Å; Y652-C656 PolarHBondContact O-N 3.08Å; Y652-C656 PolarHBondContact O-SG 3.23Å
653L93.6Very high90.4Very high4 Ų442.2 Ų42.22%0.02120%0.204CC..Hα-helixtrans-59.1-41.4170.8179.8142.6000111.6V633 F636 Q637 L640 A649 C656 L657 E669V633-L653 HydrophobicContact CG1-CD1 4.46Å; F636-L653 HydrophobicContact CB-CB 3.81Å; F636-L653 HydrophobicContact CB-CD1 3.89Å; F636-L653 HydrophobicContact CB-CG 4.4Å; F636-L653 HydrophobicContact CD2-CB 4.26Å; F636-L653 HydrophobicContact CG-CB 4.32Å; Q637-L653 HydrophobicContact CG-CD1 3.63Å; L640-L653 HydrophobicContact CD1-CD1 4.23Å; A649-L653 WeakPolarHBondContact O-CB 3.34Å; A649-L653 PolarHBondContact O-N 2.9Å; L653-C656 WeakPolarHBondContact O-CB 3.43Å; L653-C656 PolarHBondContact O-N 2.76Å; L653-L657 HydrophobicContact CD2-CD1 3.55Å; L653-L657 HydrophobicContact CD2-CG 4.43Å; L653-L657 HydrophobicContact CG-CD1 4.35Å; L653-L657 WeakPolarHBondContact O-CG 3.41Å; L653-L657 PolarHBondContact O-N 3.48Å; L653-E669 HydrophobicContact CD2-CB 3.89Å; L653-E669 HydrophobicContact CD2-CG 3.44Å; L653-E669 VanDerWaalsContact CD2-CG 3.44Å
654A92.2Very high90.5Very high0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-66.6-37173.200000113.4R650 Y651 Y652 C656 L657 L658 A666 E669 L670R650-A654 WeakPolarHBondContact O-CB 3.18Å; R650-A654 PolarHBondContact O-N 3.31Å; Y651-A654 WeakPolarHBondContact O-CB 3.42Å; Y651-A654 PolarHBondContact O-N 3.02Å; Y652-A654 VanDerWaalsContact C-N 3.31Å; Y652-A654 PolarHBondContact O-N 3.15Å; A654-C656 VanDerWaalsContact C-N 3.32Å; A654-C656 PolarHBondContact O-N 3.38Å; A654-L657 PolarHBondContact O-N 3.15Å; A654-L658 WeakPolarHBondContact O-CB 3.39Å; A654-L658 PolarHBondContact O-N 2.93Å; A654-A666 HydrophobicContact CB-CB 4.42Å; A654-E669 HydrophobicContact CB-CB 4.05Å; A654-L670 HydrophobicContact CB-CD1 4.38Å; A654-L670 HydrophobicContact CB-CD2 3.95Å; A654-L670 HydrophobicContact CB-CG 3.66Å
655R91.5Very high90.5Very high36 Ų3649.1 Ų49.114%0.13623%0.231CC..Hα-helixtrans-61.3-40.1170-66.4-175.687.3-172.83111.1E343 F624 Y651 Y652 L658 K659E343-R655 IonicContact OE1-CZ 3.85Å; E343-R655 IonicContact OE1-NH1 3.7Å; E343-R655 PolarHBondContact OE1-NH1 3.49Å; E343-R655 VanDerWaalsContact OE1-NH1 3.09Å; E343-R655 IonicContact OE1-NH2 3.35Å; E343-R655 PolarHBondContact OE1-NH2 3.46Å; F624-R655 HydrophobicContact CD2-CB 4.44Å; F624-R655 HydrophobicContact CE2-CB 3.49Å; F624-R655 VanDerWaalsContact CE2-CB 3.49Å; F624-R655 HydrophobicContact CE2-CG 4.47Å; F624-R655 HydrophobicContact CZ-CB 3.9Å; F624-R655 HydrophobicContact CZ-CG 4.45Å; Y651-R655 HydrophobicContact CE1-CG 4.39Å; Y651-R655 HydrophobicContact CE2-CG 4.22Å; Y651-R655 PolarHBondContact O-N 3.4Å; Y652-R655 PolarHBondContact O-N 3.44Å; Y652-R655 VanDerWaalsContact O-N 3.16Å; R655-L658 WeakPolarHBondContact O-CB 3.2Å; R655-L658 PolarHBondContact O-N 3Å; R655-K659 WeakPolarHBondContact O-CG 3.44Å; R655-K659 PolarHBondContact O-N 3.05Å; R655-K659 VanDerWaalsContact O-N 3.13Å
656C92.2Very high90.6Very high0 Ų046.3 Ų46.30%021%0.212CC..Hα-helixtrans-63.3-46.5175-58.70000111.6W629 A632 V633 Y652 L653 A654 L658 K659 L660W629-C656 HydrophobicContact CB-CB 4.42Å; A632-C656 VanDerWaalsContact CB-SG 3.5Å; V633-C656 HydrophobicContact CG2-CB 3.5Å; V633-C656 VanDerWaalsContact CG2-CB 3.5Å; Y652-C656 PolarHBondContact O-N 3.08Å; Y652-C656 PolarHBondContact O-SG 3.23Å; L653-C656 WeakPolarHBondContact O-CB 3.43Å; L653-C656 PolarHBondContact O-N 2.76Å; A654-C656 VanDerWaalsContact C-N 3.32Å; A654-C656 PolarHBondContact O-N 3.38Å; C656-L658 VanDerWaalsContact C-N 3.3Å; C656-L658 PolarHBondContact O-N 3.47Å; C656-K659 PolarHBondContact O-N 3.22Å; C656-K659 VanDerWaalsContact O-N 3.14Å; C656-L660 WeakPolarHBondContact O-CG 3.38Å; C656-L660 PolarHBondContact O-N 3.49Å
657L91.8Very high90.5Very high18 Ų1846.7 Ų46.79%0.09421%0.214CC..Hα-helixtrans-62.7-36.1178.2-71.5168.2000112.1V633 L653 A654 L660 F661 N662 K665 A666 E669V633-L657 HydrophobicContact CG2-CD2 4.48Å; V633-L657 HydrophobicContact CG2-CG 4.49Å; L653-L657 HydrophobicContact CD2-CD1 3.55Å; L653-L657 HydrophobicContact CD2-CG 4.43Å; L653-L657 HydrophobicContact CG-CD1 4.35Å; L653-L657 WeakPolarHBondContact O-CG 3.41Å; L653-L657 PolarHBondContact O-N 3.48Å; A654-L657 PolarHBondContact O-N 3.15Å; L657-L660 CarbonylContact O-C 3.28Å; L657-L660 PolarHBondContact O-N 3.12Å; L657-F661 PolarHBondContact O-N 2.85Å; L657-N662 HydrophobicContact CB-CB 4.47Å; L657-N662 HydrophobicContact CD2-CB 4.14Å; L657-N662 PolarHBondContact O-N 3.4Å; L657-K665 HydrophobicContact CD1-CB 3.75Å; L657-K665 HydrophobicContact CD2-CB 4.26Å; L657-A666 HydrophobicContact CB-CB 3.83Å; L657-E669 HydrophobicContact CD1-CG 4.48Å
658L88.5Confident90.5Very high31 Ų3145.7 Ų45.716%0.16222%0.221CC..Hα-helixtrans-60.3-45170.6-89.1171.9000112.7A654 R655 C656 L660 F661 Y663 A666 L690A654-L658 WeakPolarHBondContact O-CB 3.39Å; A654-L658 PolarHBondContact O-N 2.93Å; R655-L658 WeakPolarHBondContact O-CB 3.2Å; R655-L658 PolarHBondContact O-N 3Å; C656-L658 VanDerWaalsContact C-N 3.3Å; C656-L658 PolarHBondContact O-N 3.47Å; L658-L660 VanDerWaalsContact C-N 3.26Å; L658-L660 PolarHBondContact O-N 3.4Å; L658-F661 PolarHBondContact O-N 3.25Å; L658-F661 VanDerWaalsContact O-N 3.12Å; L658-Y663 HydrophobicContact CD2-CD1 3.71Å; L658-Y663 HydrophobicContact CD2-CE1 3.93Å; L658-A666 HydrophobicContact CD2-CB 4.46Å; L658-A666 HydrophobicContact CG-CB 3.93Å; L658-L690 HydrophobicContact CD1-CD1 4.38Å; L658-L690 HydrophobicContact CD2-CD1 3.65Å; L658-L690 HydrophobicContact CD2-CG 3.9Å; L658-L690 HydrophobicContact CG-CD1 4.2Å
659K86.2Confident90.6Very high41 Ų4145.7 Ų45.718%0.17822%0.221CC..Hα-helixtrans-68.4-26.3176.5-63.8-70.9-169.8-178.30112.8I345 W629 R655 C656 F661I345-K659 HydrophobicContact CG2-CD 4.39Å; I345-K659 PolarHBondContact O-NZ 2.86Å; W629-K659 HydrophobicContact CD2-CB 3.52Å; W629-K659 HydrophobicContact CD2-CG 3.81Å; W629-K659 HydrophobicContact CE3-CB 4.04Å; W629-K659 HydrophobicContact CE3-CG 3.89Å; W629-K659 HydrophobicContact CG-CB 3.75Å; W629-K659 HydrophobicContact CH2-CD 4.08Å; W629-K659 HydrophobicContact CH2-CG 3.87Å; W629-K659 HydrophobicContact CZ2-CB 4.11Å; W629-K659 HydrophobicContact CZ2-CD 3.82Å; W629-K659 HydrophobicContact CZ2-CG 3.76Å; W629-K659 HydrophobicContact CZ3-CG 3.92Å; R655-K659 WeakPolarHBondContact O-CG 3.44Å; R655-K659 PolarHBondContact O-N 3.05Å; R655-K659 VanDerWaalsContact O-N 3.13Å; C656-K659 PolarHBondContact O-N 3.22Å; C656-K659 VanDerWaalsContact O-N 3.14Å; K659-F661 VanDerWaalsContact C-N 3.27Å
660L89Confident90.6Very high62 Ų6245.7 Ų45.733%0.32522%0.221SC..THydrogen-bonded Turntrans-87.214.5171.9-66.9170000113.2W629 R630 V633 C656 L657 L658 N662W629-L660 HydrophobicContact CB-CD1 3.97Å; W629-L660 HydrophobicContact CB-CD2 3.97Å; W629-L660 HydrophobicContact CB-CG 3.72Å; W629-L660 HydrophobicContact CG-CG 4.48Å; R630-L660 HydrophobicContact CG-CD2 4.11Å; V633-L660 HydrophobicContact CG2-CD1 4.16Å; C656-L660 WeakPolarHBondContact O-CG 3.38Å; C656-L660 PolarHBondContact O-N 3.49Å; L657-L660 CarbonylContact O-C 3.28Å; L657-L660 PolarHBondContact O-N 3.12Å; L658-L660 VanDerWaalsContact C-N 3.26Å; L658-L660 PolarHBondContact O-N 3.4Å; L660-N662 PolarHBondContact O-N 3.07Å
661F85.4Confident90.5Very high153 Ų15347.6 Ų47.667%0.67124%0.236SC*.THydrogen-bonded Turntrans56.616.2-179.7-54.8-84.6000115.1L657 L658 K659 Y663L657-F661 PolarHBondContact O-N 2.85Å; L658-F661 PolarHBondContact O-N 3.25Å; L658-F661 VanDerWaalsContact O-N 3.12Å; K659-F661 VanDerWaalsContact C-N 3.27Å; F661-Y663 VanDerWaalsContact C-N 3.33Å; F661-Y663 HydrophobicContact CB-CE2 4.22Å; F661-Y663 HydrophobicContact CD1-CE2 4.49Å; F661-Y663 WeakPolarHBondContact O-CD2 3.43Å; F661-Y663 WeakPolarHBondContact O-CE2 3.47Å; F661-Y663 PolarHBondContact O-N 3.49Å; F661-Y663 VanDerWaalsContact O-N 3.15Å
662N88.2Confident90.4Very high66 Ų6649.6 Ų49.635%0.35325%0.248SC..  trans-93.462.5-176.7-156.9-42000111.2L657 L660 N664 K665 A666L657-N662 HydrophobicContact CB-CB 4.47Å; L657-N662 HydrophobicContact CD2-CB 4.14Å; L657-N662 PolarHBondContact O-N 3.4Å; L660-N662 PolarHBondContact O-N 3.07Å; N662-N664 VanDerWaalsContact C-N 3.29Å; N662-N664 PolarHBondContact O-N 2.98Å; N662-K665 PolarHBondContact O-N 3.28Å; N662-K665 WeakPolarHBondContact OD1-CG 3.27Å; N662-A666 PolarHBondContact O-N 3.22Å; N662-A666 VanDerWaalsContact O-N 3.09Å
663Y85.7Confident90.4Very high85 Ų8548.1 Ų48.133%0.33324%0.243SC..Hα-helixtrans-54.1-39.3-171.6-59.8-76.5000114P347 L658 F661 A666 L667 L690P347-Y663 HydrophobicContact CG-CE1 3.93Å; L658-Y663 HydrophobicContact CD2-CD1 3.71Å; L658-Y663 HydrophobicContact CD2-CE1 3.93Å; F661-Y663 VanDerWaalsContact C-N 3.33Å; F661-Y663 HydrophobicContact CB-CE2 4.22Å; F661-Y663 HydrophobicContact CD1-CE2 4.49Å; F661-Y663 WeakPolarHBondContact O-CD2 3.43Å; F661-Y663 WeakPolarHBondContact O-CE2 3.47Å; F661-Y663 PolarHBondContact O-N 3.49Å; F661-Y663 VanDerWaalsContact O-N 3.15Å; Y663-A666 PolarHBondContact O-N 3.1Å; Y663-L667 PolarHBondContact O-N 3.45Å; Y663-L690 HydrophobicContact CD1-CD2 4.38Å; Y663-L690 HydrophobicContact CD1-CG 4.41Å
664N87.9Confident90.3Very high133 Ų13348.6 Ų48.671%0.71125%0.245SC*.Hα-helixtrans-66.9-43.1-176.5-65.5-0.3000112N662 L667 A668N662-N664 VanDerWaalsContact C-N 3.29Å; N662-N664 PolarHBondContact O-N 2.98Å; N664-L667 PolarHBondContact O-N 3Å; N664-A668 PolarHBondContact O-N 3.2Å
665K89.8Confident90.3Very high132 Ų13257 Ų5757%0.57428%0.278SS*.Hα-helixtrans-71.4-37.1175.9-65.3-172.6-179.8-1710111.5L657 N662 L667 A668 E669L657-K665 HydrophobicContact CD1-CB 3.75Å; L657-K665 HydrophobicContact CD2-CB 4.26Å; N662-K665 PolarHBondContact O-N 3.28Å; N662-K665 WeakPolarHBondContact OD1-CG 3.27Å; K665-L667 VanDerWaalsContact C-N 3.32Å; K665-L667 PolarHBondContact O-N 3.34Å; K665-A668 PolarHBondContact O-N 3.42Å; K665-E669 PolarHBondContact O-N 2.89Å; K665-E669 VanDerWaalsContact O-N 3.1Å
666A91.2Very high90.3Very high0 Ų059.8 Ų59.80%029%0.289CS..Hα-helixtrans-59-41172.500000112.6A654 L657 L658 N662 Y663 E669 L670 L690A654-A666 HydrophobicContact CB-CB 4.42Å; L657-A666 HydrophobicContact CB-CB 3.83Å; L658-A666 HydrophobicContact CD2-CB 4.46Å; L658-A666 HydrophobicContact CG-CB 3.93Å; N662-A666 PolarHBondContact O-N 3.22Å; N662-A666 VanDerWaalsContact O-N 3.09Å; Y663-A666 PolarHBondContact O-N 3.1Å; A666-E669 PolarHBondContact O-N 2.72Å; A666-L670 WeakPolarHBondContact O-CB 3.46Å; A666-L670 VanDerWaalsContact O-CG 3.31Å; A666-L670 WeakPolarHBondContact O-CG 3.08Å; A666-L670 PolarHBondContact O-N 3.03Å; A666-L690 HydrophobicContact CB-CD1 4.24Å
667L90.5Very high90.2Very high39 Ų3963.1 Ų63.120%0.20431%0.305CS..Hα-helixtrans-62.4-47.8175.6-82.6172.9000112.4Y663 N664 K665 E669 L670 T671 R687 L690 L691Y663-L667 PolarHBondContact O-N 3.45Å; N664-L667 PolarHBondContact O-N 3Å; K665-L667 VanDerWaalsContact C-N 3.32Å; K665-L667 PolarHBondContact O-N 3.34Å; L667-E669 VanDerWaalsContact C-N 3.29Å; L667-E669 PolarHBondContact O-N 2.66Å; L667-L670 PolarHBondContact O-N 3.24Å; L667-T671 PolarHBondContact O-N 3.17Å; L667-T671 PolarHBondContact O-OG1 3.22Å; L667-R687 HydrophobicContact CD2-CG 4.12Å; L667-L690 HydrophobicContact CD1-CD2 3.87Å; L667-L690 HydrophobicContact CD2-CD1 3.78Å; L667-L690 HydrophobicContact CD2-CD2 3.88Å; L667-L690 HydrophobicContact CD2-CG 4.27Å; L667-L690 HydrophobicContact CG-CD1 3.74Å; L667-L690 HydrophobicContact CG-CD2 3.77Å; L667-L690 HydrophobicContact CG-CG 4.38Å; L667-L691 HydrophobicContact CD1-CD2 3.96Å; L667-L691 HydrophobicContact CD2-CD1 4.39Å; L667-L691 HydrophobicContact CD2-CD2 3.5Å; L667-L691 HydrophobicContact CD2-CG 3.82Å; L667-L691 HydrophobicContact CG-CD2 4.41Å
668A91.8Very high90Very high51 Ų5166 Ų6642%0.42133%0.325SS..Hα-helixtrans-57.4-43.9178.300000111.6N664 K665 T671 T672N664-A668 PolarHBondContact O-N 3.2Å; K665-A668 PolarHBondContact O-N 3.42Å; A668-T671 VanDerWaalsContact C-OG1 3.31Å; A668-T671 WeakPolarHBondContact CA-OG1 3.37Å; A668-T671 PolarHBondContact O-N 2.87Å; A668-T671 PolarHBondContact O-OG1 2.95Å; A668-T672 PolarHBondContact O-N 3.39Å; A668-T672 PolarHBondContact O-OG1 3.25Å
669E92.9Very high89.9Confident44 Ų4469.6 Ų69.621%0.20634%0.343CS..Hα-helixtrans-75-28.7-178.4-69.1-74.3-178.600113.3R650 L653 A654 L657 K665 A666 L667 T672 S673R650-E669 IonicContact CZ-OE2 3.91Å; R650-E669 IonicContact NH1-OE1 3.89Å; R650-E669 PolarHBondContact NH1-OE1 3.12Å; R650-E669 IonicContact NH1-OE2 3.62Å; R650-E669 PolarHBondContact NH1-OE2 3.13Å; L653-E669 HydrophobicContact CD2-CB 3.89Å; L653-E669 HydrophobicContact CD2-CG 3.44Å; L653-E669 VanDerWaalsContact CD2-CG 3.44Å; A654-E669 HydrophobicContact CB-CB 4.05Å; L657-E669 HydrophobicContact CD1-CG 4.48Å; K665-E669 PolarHBondContact O-N 2.89Å; K665-E669 VanDerWaalsContact O-N 3.1Å; A666-E669 PolarHBondContact O-N 2.72Å; L667-E669 VanDerWaalsContact C-N 3.29Å; L667-E669 PolarHBondContact O-N 2.66Å; E669-T672 WeakPolarHBondContact CA-OG1 3.26Å; E669-T672 PolarHBondContact O-OG1 3.22Å; E669-T672 PolarHBondContact OE2-OG1 3.05Å; E669-S673 WeakPolarHBondContact O-CB 3.18Å; E669-S673 PolarHBondContact O-N 2.72Å
670L92.7Very high90.1Very high1 Ų168.4 Ų68.41%0.00534%0.338CS..Hα-helixtrans-69.6-34.2166.6-71.9168.6000112.2Y651 A654 A666 L667 L674 A683 T686 R687 L690Y651-L670 HydrophobicContact CD2-CD2 3.98Å; A654-L670 HydrophobicContact CB-CD1 4.38Å; A654-L670 HydrophobicContact CB-CD2 3.95Å; A654-L670 HydrophobicContact CB-CG 3.66Å; A666-L670 WeakPolarHBondContact O-CB 3.46Å; A666-L670 VanDerWaalsContact O-CG 3.31Å; A666-L670 WeakPolarHBondContact O-CG 3.08Å; A666-L670 PolarHBondContact O-N 3.03Å; L667-L670 PolarHBondContact O-N 3.24Å; L670-L674 WeakPolarHBondContact O-CB 3.44Å; L670-L674 WeakPolarHBondContact O-CG 3.49Å; L670-L674 PolarHBondContact O-N 3.46Å; L670-L674 VanDerWaalsContact O-N 3.16Å; L670-A683 HydrophobicContact CD2-CB 3.93Å; L670-T686 WeakPolarHBondContact CD2-OG1 3.43Å; L670-R687 HydrophobicContact CB-CB 4.16Å; L670-R687 HydrophobicContact CB-CG 4.07Å; L670-R687 HydrophobicContact CD1-CB 4.02Å; L670-R687 HydrophobicContact CD1-CG 4.33Å; L670-L690 HydrophobicContact CD1-CD1 4.26Å
671T92.8Very high90.2Very high70 Ų7067.4 Ų67.443%0.42933%0.33SS..Hα-helixtrans-68.5-40174.151.40000112.7L667 A668 Y675L667-T671 PolarHBondContact O-N 3.17Å; L667-T671 PolarHBondContact O-OG1 3.22Å; A668-T671 VanDerWaalsContact C-OG1 3.31Å; A668-T671 WeakPolarHBondContact CA-OG1 3.37Å; A668-T671 PolarHBondContact O-N 2.87Å; A668-T671 PolarHBondContact O-OG1 2.95Å; T671-Y675 PolarHBondContact O-N 3.45Å
672T91.8Very high90.4Very high45 Ų4562.4 Ų62.428%0.27631%0.308SS..Hα-helixtrans-74.4-37.117650.30000112.4R650 A668 E669 L674 Y675 Y676R650-T672 WeakPolarHBondContact CD-OG1 3.42Å; R650-T672 PolarHBondContact NH1-OG1 3.46Å; A668-T672 PolarHBondContact O-N 3.39Å; A668-T672 PolarHBondContact O-OG1 3.25Å; E669-T672 WeakPolarHBondContact CA-OG1 3.26Å; E669-T672 PolarHBondContact O-OG1 3.22Å; E669-T672 PolarHBondContact OE2-OG1 3.05Å; T672-L674 VanDerWaalsContact C-N 3.29Å; T672-L674 PolarHBondContact O-N 3.4Å; T672-Y675 WeakPolarHBondContact O-CB 3.14Å; T672-Y675 PolarHBondContact O-N 3.42Å; T672-Y675 VanDerWaalsContact O-N 3.16Å; T672-Y676 WeakPolarHBondContact O-CD2 3.29Å; T672-Y676 PolarHBondContact O-N 3.05Å
673S93Very high90.5Very high0 Ų059.3 Ų59.30%029%0.291CS..Hα-helixtrans-53.7-46.9170.3-177.10000111.5Y647 E669 Y676 Q677Y647-S673 WeakPolarHBondContact CB-O 3.36Å; Y647-S673 PolarHBondContact O-OG 3.35Å; E669-S673 WeakPolarHBondContact O-CB 3.18Å; E669-S673 PolarHBondContact O-N 2.72Å; S673-Y676 PolarHBondContact O-N 2.89Å; S673-Q677 PolarHBondContact O-N 3.11Å
674L91.5Very high90.8Very high13 Ų1355.4 Ų55.47%0.06828%0.276CS..Hα-helixtrans-79.5-13.3179.5-69.6168.4000114.7L670 T672 P678 A683 L684 R687L670-L674 WeakPolarHBondContact O-CB 3.44Å; L670-L674 WeakPolarHBondContact O-CG 3.49Å; L670-L674 PolarHBondContact O-N 3.46Å; L670-L674 VanDerWaalsContact O-N 3.16Å; T672-L674 VanDerWaalsContact C-N 3.29Å; T672-L674 PolarHBondContact O-N 3.4Å; L674-P678 VanDerWaalsContact O-CA 3.32Å; L674-P678 WeakPolarHBondContact O-CA 3.18Å; L674-P678 WeakPolarHBondContact O-CG 3.49Å; L674-A683 HydrophobicContact CD1-CB 4.12Å; L674-A683 HydrophobicContact CD2-CB 3.83Å; L674-A683 HydrophobicContact CG-CB 3.82Å; L674-L684 HydrophobicContact CD1-CD2 3.84Å; L674-L684 HydrophobicContact CD1-CG 4.2Å; L674-L684 HydrophobicContact CD2-CD2 4.02Å; L674-L684 HydrophobicContact CD2-CG 3.74Å; L674-R687 VanDerWaalsContact CD1-CZ 3.45Å
675Y91.4Very high90.9Very high178 Ų17850.1 Ų50.170%0.69825%0.247SC*.Hα-helixtrans-72.5-43.4168.2176.3-95.5000110.8T671 T672T671-Y675 PolarHBondContact O-N 3.45Å; T672-Y675 WeakPolarHBondContact O-CB 3.14Å; T672-Y675 PolarHBondContact O-N 3.42Å; T672-Y675 VanDerWaalsContact O-N 3.16Å
676Y91.6Very high91Very high94 Ų9444.9 Ų44.937%0.36923%0.226SC..Hα-helixtrans-76.9-34.5177.6-65.5-65.4000113.5P644 T672 S673P644-Y676 WeakPolarHBondContact O-CE2 3.37Å; T672-Y676 WeakPolarHBondContact O-CD2 3.29Å; T672-Y676 PolarHBondContact O-N 3.05Å; S673-Y676 PolarHBondContact O-N 2.89Å
677Q90.1Very high90.9Very high69 Ų6946.4 Ų46.432%0.32223%0.232SC..  trans-136.685.8175.8-17365.5-600111.7Y647 S673 I679 Y680Y647-Q677 HydrophobicContact CD1-CB 3.72Å; Y647-Q677 HydrophobicContact CD1-CG 4.28Å; Y647-Q677 HydrophobicContact CD2-CB 3.68Å; Y647-Q677 HydrophobicContact CD2-CG 4Å; Y647-Q677 HydrophobicContact CE1-CB 4.15Å; Y647-Q677 HydrophobicContact CE1-CG 4.2Å; Y647-Q677 HydrophobicContact CE2-CB 4.1Å; Y647-Q677 HydrophobicContact CE2-CG 3.91Å; Y647-Q677 HydrophobicContact CG-CB 3.47Å; Y647-Q677 VanDerWaalsContact CG-CB 3.47Å; Y647-Q677 HydrophobicContact CG-CG 4.19Å; S673-Q677 PolarHBondContact O-N 3.11Å; Q677-I679 PolarHBondContact O-N 3.28Å; Q677-I679 VanDerWaalsContact O-N 3.11Å; Q677-Y680 WeakPolarHBondContact O-CB 3.44Å; Q677-Y680 PolarHBondContact O-N 3.49Å; Q677-Y680 VanDerWaalsContact O-N 3.09Å
678P87.7Confident90.8Very high80 Ų8044.6 Ų44.652%0.51922%0.222SC..THydrogen-bonded Turntrans-58.7-25.9-179-26.334.9000114.6L674 Y680L674-P678 VanDerWaalsContact O-CA 3.32Å; L674-P678 WeakPolarHBondContact O-CA 3.18Å; L674-P678 WeakPolarHBondContact O-CG 3.49Å; P678-Y680 PolarHBondContact O-N 3.32Å
679I86.5Confident90.5Very high106 Ų10643.5 Ų43.554%0.54421%0.211SC..THydrogen-bonded Turntrans-82.71.7-177-50.5-178.7000111.5Q677 Y681 I709Q677-I679 PolarHBondContact O-N 3.28Å; Q677-I679 VanDerWaalsContact O-N 3.11Å; I679-Y681 PolarHBondContact O-N 3.25Å; I679-I709 HydrophobicContact CG2-CG2 3.48Å; I679-I709 VanDerWaalsContact CG2-CG2 3.48Å; I679-I709 VanDerWaalsContact O-CG2 3.26Å; I679-I709 WeakPolarHBondContact O-CG2 3.43Å
680Y90.8Very high90.3Very high16 Ų1642.9 Ų42.96%0.06321%0.209CC..  trans-78.481.8-176.5-162.5-127.3000113.1Y647 E648 Y651 Q677 P678 K682 A683 L684Y647-Y680 AromaticContact CD2-CD1 3.96Å; Y647-Y680 HydrophobicContact CD2-CD1 3.96Å; Y647-Y680 HydrophobicContact CD2-CD2 4Å; Y647-Y680 HydrophobicContact CD2-CE1 4.25Å; Y647-Y680 HydrophobicContact CD2-CE2 4.25Å; Y647-Y680 AromaticContact CD2-CG 3.84Å; Y647-Y680 HydrophobicContact CD2-CG 3.84Å; Y647-Y680 HydrophobicContact CE2-CD1 4.3Å; Y647-Y680 AromaticContact CE2-CD2 3.53Å; Y647-Y680 HydrophobicContact CE2-CD2 3.53Å; Y647-Y680 HydrophobicContact CE2-CE1 4.45Å; Y647-Y680 AromaticContact CE2-CE2 3.66Å; Y647-Y680 HydrophobicContact CE2-CE2 3.66Å; Y647-Y680 AromaticContact CE2-CG 3.86Å; Y647-Y680 HydrophobicContact CE2-CG 3.86Å; E648-Y680 HydrophobicContact CG-CE2 4.29Å; E648-Y680 WeakPolarHBondContact OE1-CE2 3.43Å; E648-Y680 VanDerWaalsContact OE1-CZ 3.29Å; E648-Y680 PolarHBondContact OE1-OH 3.43Å; Y651-Y680 AromaticContact CD1-CE1 3.78Å; Y651-Y680 HydrophobicContact CD1-CE1 3.78Å; Y651-Y680 HydrophobicContact CD2-CE1 4.07Å; Y651-Y680 HydrophobicContact CE1-CE1 4.38Å; Y651-Y680 HydrophobicContact CG-CD1 4.48Å; Y651-Y680 AromaticContact CG-CE1 3.59Å; Y651-Y680 HydrophobicContact CG-CE1 3.59Å; Q677-Y680 WeakPolarHBondContact O-CB 3.44Å; Q677-Y680 PolarHBondContact O-N 3.49Å; Q677-Y680 VanDerWaalsContact O-N 3.09Å; P678-Y680 PolarHBondContact O-N 3.32Å; Y680-K682 HydrophobicContact CD1-CB 4.33Å; Y680-K682 HydrophobicContact CE1-CB 3.93Å; Y680-K682 HydrophobicContact CE2-CB 4.37Å; Y680-K682 HydrophobicContact CE2-CD 4.09Å; Y680-K682 PolarHBondContact O-N 3.05Å; Y680-A683 HydrophobicContact CD1-CB 3.58Å; Y680-A683 HydrophobicContact CE1-CB 4.26Å; Y680-A683 PolarHBondContact O-N 3.39Å; Y680-L684 PolarHBondContact O-N 3.08Å
681Y90Very high90Very high40 Ų4043.7 Ų43.716%0.15721%0.213CC..Hα-helixtrans-51.4-31.8-177.367.6-97.3000114.4I679 L684 F685 Y714I679-Y681 PolarHBondContact O-N 3.25Å; Y681-L684 PolarHBondContact O-N 3.24Å; Y681-F685 WeakPolarHBondContact O-CB 3.36Å; Y681-F685 PolarHBondContact O-N 3.3Å; Y681-Y714 HydrophobicContact CD2-CD1 4.22Å; Y681-Y714 HydrophobicContact CD2-CD2 4.09Å; Y681-Y714 AromaticContact CD2-CG 3.87Å; Y681-Y714 HydrophobicContact CD2-CG 3.87Å; Y681-Y714 HydrophobicContact CE2-CD1 4.41Å; Y681-Y714 AromaticContact CE2-CD2 3.57Å; Y681-Y714 HydrophobicContact CE2-CD2 3.57Å; Y681-Y714 AromaticContact CE2-CE2 3.88Å; Y681-Y714 HydrophobicContact CE2-CE2 3.88Å; Y681-Y714 AromaticContact CE2-CG 3.85Å; Y681-Y714 HydrophobicContact CE2-CG 3.85Å
682K90.3Very high89.4Confident49 Ų4941.4 Ų41.421%0.21320%0.2CC..Hα-helixtrans-60.5-45.6176-70.6-177.9-177.5170.90111.9Y651 Y680 T686Y651-K682 HydrophobicContact CE1-CB 4.24Å; Y651-K682 HydrophobicContact CE1-CD 4.3Å; Y651-K682 HydrophobicContact CE2-CB 3.99Å; Y651-K682 WeakPolarHBondContact CE2-O 3.37Å; Y680-K682 HydrophobicContact CD1-CB 4.33Å; Y680-K682 HydrophobicContact CE1-CB 3.93Å; Y680-K682 HydrophobicContact CE2-CB 4.37Å; Y680-K682 HydrophobicContact CE2-CD 4.09Å; Y680-K682 PolarHBondContact O-N 3.05Å; K682-T686 PolarHBondContact O-N 3.45Å; K682-T686 PolarHBondContact O-OG1 2.87Å
683A90.9Very high88.5Confident0 Ų044.5 Ų44.50%021%0.209CC..Hα-helixtrans-72.1-39.5177.200000111.9Y651 L670 L674 Y680 F685 T686 R687Y651-A683 HydrophobicContact CD2-CB 3.79Å; Y651-A683 HydrophobicContact CE2-CB 4.41Å; L670-A683 HydrophobicContact CD2-CB 3.93Å; L674-A683 HydrophobicContact CD1-CB 4.12Å; L674-A683 HydrophobicContact CD2-CB 3.83Å; L674-A683 HydrophobicContact CG-CB 3.82Å; Y680-A683 HydrophobicContact CD1-CB 3.58Å; Y680-A683 HydrophobicContact CE1-CB 4.26Å; Y680-A683 PolarHBondContact O-N 3.39Å; A683-F685 PolarHBondContact O-N 3.36Å; A683-T686 WeakPolarHBondContact CA-OG1 3.48Å; A683-T686 PolarHBondContact O-N 3.35Å; A683-T686 PolarHBondContact O-OG1 3.2Å; A683-R687 WeakPolarHBondContact O-CB 3.41Å; A683-R687 PolarHBondContact O-N 2.86Å
684L91.8Very high88Confident3 Ų347.9 Ų47.92%0.01624%0.237CC..Hα-helixtrans-55.4-48.8173.3-74169.4000111.3L674 Y680 Y681 T686 R687 G688 D702 L705 C706 I709L674-L684 HydrophobicContact CD1-CD2 3.84Å; L674-L684 HydrophobicContact CD1-CG 4.2Å; L674-L684 HydrophobicContact CD2-CD2 4.02Å; L674-L684 HydrophobicContact CD2-CG 3.74Å; Y680-L684 PolarHBondContact O-N 3.08Å; Y681-L684 PolarHBondContact O-N 3.24Å; L684-T686 PolarHBondContact O-N 3.27Å; L684-R687 PolarHBondContact O-N 3.31Å; L684-G688 PolarHBondContact O-N 3.09Å; L684-D702 HydrophobicContact CD2-CB 4.35Å; L684-L705 HydrophobicContact CD1-CB 3.71Å; L684-L705 HydrophobicContact CD2-CB 4.19Å; L684-L705 HydrophobicContact CD2-CD1 4.14Å; L684-C706 HydrophobicContact CB-CB 4.1Å; L684-I709 HydrophobicContact CD1-CD1 4.29Å
685F90.8Very high87.6Confident23 Ų2350.5 Ų50.510%0.10126%0.256CS..Hα-helixtrans-58.9-48.3177.1-177-107.2000112.3Y681 A683 G688 C689 L703 Y714 M717 A718 Q721Y681-F685 WeakPolarHBondContact O-CB 3.36Å; Y681-F685 PolarHBondContact O-N 3.3Å; A683-F685 PolarHBondContact O-N 3.36Å; F685-G688 PolarHBondContact O-N 3.36Å; F685-C689 VanDerWaalsContact CZ-SG 3.54Å; F685-C689 PolarHBondContact O-N 3.41Å; F685-C689 PolarHBondContact O-SG 3Å; F685-L703 HydrophobicContact CD2-CD2 3.92Å; F685-L703 HydrophobicContact CE2-CD2 4.29Å; F685-Y714 HydrophobicContact CB-CD1 4.05Å; F685-Y714 HydrophobicContact CB-CE1 4.42Å; F685-Y714 HydrophobicContact CD1-CD1 4.08Å; F685-Y714 HydrophobicContact CD1-CE1 4.03Å; F685-Y714 AromaticContact CG-CD1 3.98Å; F685-Y714 HydrophobicContact CG-CD1 3.98Å; F685-Y714 HydrophobicContact CG-CE1 4.34Å; F685-M717 HydrophobicContact CE1-CE 4.08Å; F685-M717 HydrophobicContact CE2-CB 3.87Å; F685-M717 HydrophobicContact CZ-CB 3.92Å; F685-M717 HydrophobicContact CZ-CE 3.94Å; F685-A718 HydrophobicContact CD2-CB 4.07Å; F685-A718 HydrophobicContact CE2-CB 4.37Å; F685-Q721 HydrophobicContact CE2-CG 4.19Å; F685-Q721 HydrophobicContact CZ-CG 4.34Å
686T90.4Very high87.3Confident22 Ų2243.7 Ų43.714%0.13523%0.233CC..Hα-helixtrans-67.7-37.4-179.448.70000113.2Y651 L670 K682 A683 L684 C689 L690Y651-T686 HydrophobicContact CE2-CG2 3.89Å; L670-T686 WeakPolarHBondContact CD2-OG1 3.43Å; K682-T686 PolarHBondContact O-N 3.45Å; K682-T686 PolarHBondContact O-OG1 2.87Å; A683-T686 WeakPolarHBondContact CA-OG1 3.48Å; A683-T686 PolarHBondContact O-N 3.35Å; A683-T686 PolarHBondContact O-OG1 3.2Å; L684-T686 PolarHBondContact O-N 3.27Å; T686-C689 PolarHBondContact O-N 3.2Å; T686-L690 WeakPolarHBondContact O-CB 3.33Å; T686-L690 PolarHBondContact O-N 3.25Å
687R90Very high87Confident32 Ų3245 Ų4512%0.12125%0.246CC..Hα-helixtrans-68.9-41176.4-160.5175.371.9-170.81.5110.6L667 L670 L674 A683 L684 L690 L691 D702L667-R687 HydrophobicContact CD2-CG 4.12Å; L670-R687 HydrophobicContact CB-CB 4.16Å; L670-R687 HydrophobicContact CB-CG 4.07Å; L670-R687 HydrophobicContact CD1-CB 4.02Å; L670-R687 HydrophobicContact CD1-CG 4.33Å; L674-R687 VanDerWaalsContact CD1-CZ 3.45Å; A683-R687 WeakPolarHBondContact O-CB 3.41Å; A683-R687 PolarHBondContact O-N 2.86Å; L684-R687 PolarHBondContact O-N 3.31Å; R687-L690 PolarHBondContact O-N 3.03Å; R687-L691 HydrophobicContact CG-CD1 3.96Å; R687-L691 HydrophobicContact CG-CG 4.43Å; R687-L691 WeakPolarHBondContact O-CB 3.49Å; R687-L691 VanDerWaalsContact O-CG 3.29Å; R687-L691 WeakPolarHBondContact O-CG 3.49Å; R687-L691 PolarHBondContact O-N 3.13Å; R687-D702 WeakPolarHBondContact CG-OD2 3.21Å; R687-D702 IonicContact CZ-OD1 3.96Å; R687-D702 IonicContact CZ-OD2 2.69Å; R687-D702 IonicContact NE-OD1 3.75Å; R687-D702 IonicContact NE-OD2 3.78Å; R687-D702 PolarHBondContact NE-OD2 3.03Å; R687-D702 IonicContact NH2-OD1 3.69Å; R687-D702 PolarHBondContact NH2-OD1 2.96Å; R687-D702 IonicContact NH2-OD2 2.7Å; R687-D702 PolarHBondContact NH2-OD2 3.39Å
688G87.8Confident86.9Confident0 Ų044.5 Ų44.50%024%0.244CC..Hα-helixtrans-52.8-56.1169.500000112.3L684 F685 L690 L691 T692 S699L684-G688 PolarHBondContact O-N 3.09Å; F685-G688 PolarHBondContact O-N 3.36Å; G688-L690 PolarHBondContact O-N 3.25Å; G688-L691 PolarHBondContact O-N 3.13Å; G688-T692 PolarHBondContact O-N 3.18Å; G688-S699 WeakPolarHBondContact O-CB 3.43Å; G688-S699 PolarHBondContact O-OG 3.29Å
689C86.4Confident87Confident29 Ų2940.7 Ų40.720%0.19622%0.219CC..Hα-helixtrans-60.6-40.6-179.7-64.80000113F685 T686 T692F685-C689 VanDerWaalsContact CZ-SG 3.54Å; F685-C689 PolarHBondContact O-N 3.41Å; F685-C689 PolarHBondContact O-SG 3Å; T686-C689 PolarHBondContact O-N 3.2Å; C689-T692 WeakPolarHBondContact O-CB 3.21Å; C689-T692 WeakPolarHBondContact O-CG2 3.45Å; C689-T692 PolarHBondContact O-N 3.36Å; C689-T692 PolarHBondContact O-OG1 3.22Å
690L87.6Confident87.1Confident31 Ų3136.7 Ų36.716%0.16220%0.199CC..Hα-helixtrans-64.7-44.4177.7-160.5176.3000111.4L658 Y663 A666 L667 L670 T686 R687 G688 T692L658-L690 HydrophobicContact CD1-CD1 4.38Å; L658-L690 HydrophobicContact CD2-CD1 3.65Å; L658-L690 HydrophobicContact CD2-CG 3.9Å; L658-L690 HydrophobicContact CG-CD1 4.2Å; Y663-L690 HydrophobicContact CD1-CD2 4.38Å; Y663-L690 HydrophobicContact CD1-CG 4.41Å; A666-L690 HydrophobicContact CB-CD1 4.24Å; L667-L690 HydrophobicContact CD1-CD2 3.87Å; L667-L690 HydrophobicContact CD2-CD1 3.78Å; L667-L690 HydrophobicContact CD2-CD2 3.88Å; L667-L690 HydrophobicContact CD2-CG 4.27Å; L667-L690 HydrophobicContact CG-CD1 3.74Å; L667-L690 HydrophobicContact CG-CD2 3.77Å; L667-L690 HydrophobicContact CG-CG 4.38Å; L670-L690 HydrophobicContact CD1-CD1 4.26Å; T686-L690 WeakPolarHBondContact O-CB 3.33Å; T686-L690 PolarHBondContact O-N 3.25Å; R687-L690 PolarHBondContact O-N 3.03Å; G688-L690 PolarHBondContact O-N 3.25Å; L690-T692 PolarHBondContact O-N 3.47Å
691L86.9Confident87Confident17 Ų1743.7 Ų43.79%0.08923%0.225CC..Hα-helixtrans-75.3-4.3-177.3-68177.2000114.6L667 R687 G688 K693 A694 C695 Q698L667-L691 HydrophobicContact CD1-CD2 3.96Å; L667-L691 HydrophobicContact CD2-CD1 4.39Å; L667-L691 HydrophobicContact CD2-CD2 3.5Å; L667-L691 HydrophobicContact CD2-CG 3.82Å; L667-L691 HydrophobicContact CG-CD2 4.41Å; R687-L691 HydrophobicContact CG-CD1 3.96Å; R687-L691 HydrophobicContact CG-CG 4.43Å; R687-L691 WeakPolarHBondContact O-CB 3.49Å; R687-L691 VanDerWaalsContact O-CG 3.29Å; R687-L691 WeakPolarHBondContact O-CG 3.49Å; R687-L691 PolarHBondContact O-N 3.13Å; G688-L691 PolarHBondContact O-N 3.13Å; L691-K693 VanDerWaalsContact C-N 3.35Å; L691-K693 PolarHBondContact O-N 3.12Å; L691-A694 PolarHBondContact O-N 3.21Å; L691-C695 HydrophobicContact CD2-CB 4.21Å; L691-C695 CarbonylContact O-C 3.4Å; L691-C695 PolarHBondContact O-N 3.36Å; L691-Q698 HydrophobicContact CD1-CB 4.04Å; L691-Q698 HydrophobicContact CD1-CG 3.72Å
692T81Confident87Confident23 Ų2341.8 Ų41.814%0.14122%0.217CC..Hα-helixtrans-43-54.7179.746.10000113.3G688 C689 L690 I725G688-T692 PolarHBondContact O-N 3.18Å; C689-T692 WeakPolarHBondContact O-CB 3.21Å; C689-T692 WeakPolarHBondContact O-CG2 3.45Å; C689-T692 PolarHBondContact O-N 3.36Å; C689-T692 PolarHBondContact O-OG1 3.22Å; L690-T692 PolarHBondContact O-N 3.47Å; T692-I725 HydrophobicContact CG2-CD1 3.87Å; T692-I725 HydrophobicContact CG2-CG1 3.89Å
693K73Confident87Confident109 Ų10939.5 Ų39.547%0.47421%0.207SC..Hα-helixtrans-87.4-31.8-176.8-65.6-170.1172.5-168.60113.9G348 C350 L691G348-K693 PolarHBondContact O-NZ 3.16Å; C350-K693 PolarHBondContact O-NZ 3.29Å; L691-K693 VanDerWaalsContact C-N 3.35Å; L691-K693 PolarHBondContact O-N 3.12Å
694A81.4Confident87.1Confident72 Ų7241.4 Ų41.460%0.59522%0.219SC*.Hα-helixtrans-87.9-41.8-172.100000113.8L691L691-A694 PolarHBondContact O-N 3.21Å
695C84.2Confident87Confident67 Ų6745.3 Ų45.345%0.45324%0.239SC..  trans-145.570.2-177.9-74.60000109.9L691 L697 Q698 S699L691-C695 HydrophobicContact CD2-CB 4.21Å; L691-C695 CarbonylContact O-C 3.4Å; L691-C695 PolarHBondContact O-N 3.36Å; C695-L697 PolarHBondContact O-N 3.07Å; C695-L697 VanDerWaalsContact O-N 3.1Å; C695-Q698 HydrophobicContact CB-CB 4.32Å; C695-Q698 PolarHBondContact O-N 2.93Å; C695-S699 PolarHBondContact O-N 3.37Å
696P84Confident87Confident35 Ų3544.2 Ų44.223%0.22724%0.235CC..Hα-helixtrans-57.1-31.8-173.419.3-32.2000113.3Q698 S699 L700 I725 L729P696-Q698 PolarHBondContact O-N 3.16Å; P696-S699 WeakPolarHBondContact O-CB 3.5Å; P696-S699 PolarHBondContact O-N 3.11Å; P696-L700 VanDerWaalsContact O-CG 3.26Å; P696-L700 WeakPolarHBondContact O-CG 3.42Å; P696-L700 PolarHBondContact O-N 2.97Å; P696-I725 HydrophobicContact CB-CG2 3.92Å; P696-L729 HydrophobicContact CB-CD1 4.26Å; P696-L729 HydrophobicContact CB-CD2 4.16Å; P696-L729 HydrophobicContact CB-CG 4.47Å; P696-L729 HydrophobicContact CG-CD2 4.07Å
697L86.1Confident86.8Confident121 Ų12144 Ų4463%0.63423%0.233SC*.Hα-helixtrans-63.3-37175.6-67.6175.7000113.4C695 R701C695-L697 PolarHBondContact O-N 3.07Å; C695-L697 VanDerWaalsContact O-N 3.1Å; L697-R701 PolarHBondContact O-N 2.89Å
698Q86.8Confident86.7Confident60 Ų6051.4 Ų51.428%0.2826%0.262SS..Hα-helixtrans-79.5-35.3176-17358.439.700111.2L691 C695 P696 L700 R701 D702L691-Q698 HydrophobicContact CD1-CB 4.04Å; L691-Q698 HydrophobicContact CD1-CG 3.72Å; C695-Q698 HydrophobicContact CB-CB 4.32Å; C695-Q698 PolarHBondContact O-N 2.93Å; P696-Q698 PolarHBondContact O-N 3.16Å; Q698-L700 VanDerWaalsContact C-N 3.33Å; Q698-L700 PolarHBondContact O-N 3.08Å; Q698-R701 WeakPolarHBondContact O-CB 3.24Å; Q698-R701 PolarHBondContact O-N 3.02Å; Q698-R701 VanDerWaalsContact O-N 3.15Å; Q698-R701 VanDerWaalsContact OE1-CD 3.24Å; Q698-D702 PolarHBondContact NE2-OD1 3.29Å; Q698-D702 PolarHBondContact O-N 2.83Å
699S89.6Confident86.7Confident0 Ų054.3 Ų54.30%028%0.277CS..Hα-helixtrans-54.6-47.3170.3179.70000112.1G688 C695 P696 R701 D702 L703 I725G688-S699 WeakPolarHBondContact O-CB 3.43Å; G688-S699 PolarHBondContact O-OG 3.29Å; C695-S699 PolarHBondContact O-N 3.37Å; P696-S699 WeakPolarHBondContact O-CB 3.5Å; P696-S699 PolarHBondContact O-N 3.11Å; S699-R701 VanDerWaalsContact C-N 3.32Å; S699-R701 PolarHBondContact O-N 3.23Å; S699-D702 PolarHBondContact O-N 3.31Å; S699-L703 WeakPolarHBondContact O-CB 3.45Å; S699-L703 WeakPolarHBondContact O-CG 3.47Å; S699-L703 PolarHBondContact O-N 3.44Å; S699-I725 WeakPolarHBondContact OG-CD1 3.38Å
700L89.2Confident86.2Confident22 Ų2253.2 Ų53.212%0.11527%0.271CS..Hα-helixtrans-61.1-35.3176.8-70.1175.6000113.3P696 Q698 T704 R722 I725 L726 L729P696-L700 VanDerWaalsContact O-CG 3.26Å; P696-L700 WeakPolarHBondContact O-CG 3.42Å; P696-L700 PolarHBondContact O-N 2.97Å; Q698-L700 VanDerWaalsContact C-N 3.33Å; Q698-L700 PolarHBondContact O-N 3.08Å; L700-T704 VanDerWaalsContact O-CB 3.25Å; L700-T704 WeakPolarHBondContact O-CB 3.39Å; L700-T704 PolarHBondContact O-N 2.97Å; L700-T704 PolarHBondContact O-OG1 3.34Å; L700-R722 HydrophobicContact CD2-CG 3.57Å; L700-I725 HydrophobicContact CD2-CB 4.04Å; L700-I725 HydrophobicContact CD2-CD1 4.38Å; L700-I725 HydrophobicContact CD2-CG2 3.81Å; L700-I725 HydrophobicContact CG-CG2 4.03Å; L700-L726 HydrophobicContact CD1-CD2 3.99Å; L700-L726 HydrophobicContact CD2-CD1 4.46Å; L700-L726 HydrophobicContact CD2-CD2 4.02Å; L700-L726 HydrophobicContact CD2-CG 3.87Å; L700-L729 HydrophobicContact CD1-CD1 3.84Å
701R88.8Confident85.9Confident163 Ų16356.7 Ų56.762%0.61529%0.289SS*.Hα-helixtrans-66.8-51174.9-72.1168.2170.3173.2-4.7111L697 Q698 S699 L703 T704 L705L697-R701 PolarHBondContact O-N 2.89Å; Q698-R701 WeakPolarHBondContact O-CB 3.24Å; Q698-R701 PolarHBondContact O-N 3.02Å; Q698-R701 VanDerWaalsContact O-N 3.15Å; Q698-R701 VanDerWaalsContact OE1-CD 3.24Å; S699-R701 VanDerWaalsContact C-N 3.32Å; S699-R701 PolarHBondContact O-N 3.23Å; R701-L703 PolarHBondContact O-N 3.43Å; R701-T704 PolarHBondContact O-N 2.96Å; R701-T704 VanDerWaalsContact O-N 3.17Å; R701-L705 PolarHBondContact O-N 3.36Å
702D89.8Confident85.7Confident0 Ų062.9 Ų62.90%032%0.316CS..Hα-helixtrans-61.9-44-177.9-65.3-9.7000111.6L684 R687 Q698 S699 L705 C706L684-D702 HydrophobicContact CD2-CB 4.35Å; R687-D702 WeakPolarHBondContact CG-OD2 3.21Å; R687-D702 IonicContact CZ-OD1 3.96Å; R687-D702 IonicContact CZ-OD2 2.69Å; R687-D702 IonicContact NE-OD1 3.75Å; R687-D702 IonicContact NE-OD2 3.78Å; R687-D702 PolarHBondContact NE-OD2 3.03Å; R687-D702 IonicContact NH2-OD1 3.69Å; R687-D702 PolarHBondContact NH2-OD1 2.96Å; R687-D702 IonicContact NH2-OD2 2.7Å; R687-D702 PolarHBondContact NH2-OD2 3.39Å; Q698-D702 PolarHBondContact NE2-OD1 3.29Å; Q698-D702 PolarHBondContact O-N 2.83Å; S699-D702 PolarHBondContact O-N 3.31Å; D702-L705 PolarHBondContact O-N 3.05Å; D702-C706 WeakPolarHBondContact O-CB 3.41Å; D702-C706 PolarHBondContact O-N 3.28Å
703L91Very high85.7Confident0 Ų068.9 Ų68.90%034%0.34CS..Hα-helixtrans-65.7-37.5175.3-68171.4000112F685 S699 R701 C706 I707 A718 Q721 R722 I725F685-L703 HydrophobicContact CD2-CD2 3.92Å; F685-L703 HydrophobicContact CE2-CD2 4.29Å; S699-L703 WeakPolarHBondContact O-CB 3.45Å; S699-L703 WeakPolarHBondContact O-CG 3.47Å; S699-L703 PolarHBondContact O-N 3.44Å; R701-L703 PolarHBondContact O-N 3.43Å; L703-C706 WeakPolarHBondContact O-CB 3.22Å; L703-C706 PolarHBondContact O-N 3.48Å; L703-I707 WeakPolarHBondContact O-CD1 3.34Å; L703-I707 VanDerWaalsContact O-CG1 3.25Å; L703-I707 WeakPolarHBondContact O-CG1 3.41Å; L703-I707 PolarHBondContact O-N 2.7Å; L703-A718 HydrophobicContact CD2-CB 4.14Å; L703-Q721 HydrophobicContact CD1-CB 4.04Å; L703-Q721 HydrophobicContact CD2-CB 4.33Å; L703-R722 HydrophobicContact CB-CB 4.33Å; L703-R722 HydrophobicContact CD1-CB 4.29Å; L703-I725 HydrophobicContact CD1-CD1 3.36Å
704T91.9Very high86.2Confident41 Ų4166.1 Ų66.125%0.25233%0.327SS..Hα-helixtrans-64.3-43176.1-62.50000111.8L700 R701 C706 I707 Y708 R722L700-T704 VanDerWaalsContact O-CB 3.25Å; L700-T704 WeakPolarHBondContact O-CB 3.39Å; L700-T704 PolarHBondContact O-N 2.97Å; L700-T704 PolarHBondContact O-OG1 3.34Å; R701-T704 PolarHBondContact O-N 2.96Å; R701-T704 VanDerWaalsContact O-N 3.17Å; T704-C706 VanDerWaalsContact C-N 3.33Å; T704-C706 PolarHBondContact O-N 2.95Å; T704-I707 PolarHBondContact O-N 3.22Å; T704-Y708 HydrophobicContact CG2-CD2 4.19Å; T704-Y708 HydrophobicContact CG2-CE2 3.87Å; T704-Y708 VanDerWaalsContact O-CD2 3.26Å; T704-Y708 WeakPolarHBondContact O-CD2 3.33Å; T704-Y708 PolarHBondContact O-N 3.08Å; T704-R722 WeakPolarHBondContact OG1-CD 3.48Å; T704-R722 PolarHBondContact OG1-NH1 3.13Å
705L90.1Very high86.3Confident84 Ų8464.4 Ų64.444%0.4431%0.306SS..Hα-helixtrans-63.1-39.7172.6-68.3170.6000111.7L684 R701 D702 I707 Y708 I709L684-L705 HydrophobicContact CD1-CB 3.71Å; L684-L705 HydrophobicContact CD2-CB 4.19Å; L684-L705 HydrophobicContact CD2-CD1 4.14Å; R701-L705 PolarHBondContact O-N 3.36Å; D702-L705 PolarHBondContact O-N 3.05Å; L705-I707 VanDerWaalsContact C-N 3.27Å; L705-I707 PolarHBondContact O-N 3.41Å; L705-Y708 PolarHBondContact O-N 3.05Å; L705-I709 WeakPolarHBondContact O-CB 3.48Å; L705-I709 VanDerWaalsContact O-CG1 3.32Å; L705-I709 WeakPolarHBondContact O-CG1 3.17Å; L705-I709 PolarHBondContact O-N 3.33Å; L705-I709 VanDerWaalsContact O-N 3.14Å
706C90.2Very high86.4Confident0 Ų061.3 Ų61.30%029%0.285CS..Hα-helixtrans-60.8-34.4174.7-172.40000112.9L684 D702 L703 T704 G710 A718L684-C706 HydrophobicContact CB-CB 4.1Å; D702-C706 WeakPolarHBondContact O-CB 3.41Å; D702-C706 PolarHBondContact O-N 3.28Å; L703-C706 WeakPolarHBondContact O-CB 3.22Å; L703-C706 PolarHBondContact O-N 3.48Å; T704-C706 VanDerWaalsContact C-N 3.33Å; T704-C706 PolarHBondContact O-N 2.95Å; C706-G710 WeakPolarHBondContact O-CA 3.31Å; C706-G710 PolarHBondContact O-N 3.04Å; C706-A718 HydrophobicContact CB-CB 4.18Å
707I88.1Confident86.4Confident18 Ų1862.5 Ų62.59%0.09229%0.289CS..Hα-helixtrans-68.9-38.7177.4-67.3158.7000111.2L703 T704 L705 Q715 A718 L719L703-I707 WeakPolarHBondContact O-CD1 3.34Å; L703-I707 VanDerWaalsContact O-CG1 3.25Å; L703-I707 WeakPolarHBondContact O-CG1 3.41Å; L703-I707 PolarHBondContact O-N 2.7Å; T704-I707 PolarHBondContact O-N 3.22Å; L705-I707 VanDerWaalsContact C-N 3.27Å; L705-I707 PolarHBondContact O-N 3.41Å; I707-Q715 WeakPolarHBondContact O-CG 3.32Å; I707-Q715 PolarHBondContact O-NE2 3.04Å; I707-A718 HydrophobicContact CD1-CB 4.28Å; I707-A718 HydrophobicContact CG1-CB 3.64Å; I707-L719 HydrophobicContact CD1-CD2 3.58Å; I707-L719 HydrophobicContact CD1-CG 3.8Å; I707-L719 HydrophobicContact CG1-CD2 4.24Å; I707-L719 HydrophobicContact CG1-CG 4Å; I707-L719 HydrophobicContact CG2-CD2 4.32Å; I707-L719 HydrophobicContact CG2-CG 4.32Å
708Y87.5Confident86.5Confident187 Ų18756.8 Ų56.873%0.73326%0.259SS*.Hα-helixtrans-71.7-28176.8-77.3-70.4000113.9T704 L705T704-Y708 HydrophobicContact CG2-CD2 4.19Å; T704-Y708 HydrophobicContact CG2-CE2 3.87Å; T704-Y708 VanDerWaalsContact O-CD2 3.26Å; T704-Y708 WeakPolarHBondContact O-CD2 3.33Å; T704-Y708 PolarHBondContact O-N 3.08Å; L705-Y708 PolarHBondContact O-N 3.05Å
709I86.8Confident86.6Confident61 Ų6154.1 Ų54.131%0.31325%0.246SC..Hα-helixtrans-112.2-27-165.7-59.6170.4000113.5I679 L684 L705I679-I709 HydrophobicContact CG2-CG2 3.48Å; I679-I709 VanDerWaalsContact CG2-CG2 3.48Å; I679-I709 VanDerWaalsContact O-CG2 3.26Å; I679-I709 WeakPolarHBondContact O-CG2 3.43Å; L684-I709 HydrophobicContact CD1-CD1 4.29Å; L705-I709 WeakPolarHBondContact O-CB 3.48Å; L705-I709 VanDerWaalsContact O-CG1 3.32Å; L705-I709 WeakPolarHBondContact O-CG1 3.17Å; L705-I709 PolarHBondContact O-N 3.33Å; L705-I709 VanDerWaalsContact O-N 3.14Å
710G76.8Confident86.5Confident7 Ų755.1 Ų55.17%0.07225%0.252CS..SBendtrans-76.9160.4-170.200000115.4C706 Q715C706-G710 WeakPolarHBondContact O-CA 3.31Å; C706-G710 PolarHBondContact O-N 3.04Å; G710-Q715 WeakPolarHBondContact O-CG 3.3Å; G710-Q715 PolarHBondContact O-NE2 2.71Å
711N81.5Confident86.5Confident103 Ų10356.3 Ų56.355%0.55126%0.257SS*.  trans-62.5150165.5-66.79.3000110.2K713 Y714 Q715N711-K713 VanDerWaalsContact C-N 3.29Å; N711-K713 PolarHBondContact O-N 3Å; N711-Y714 WeakPolarHBondContact O-CA 3.4Å; N711-Y714 PolarHBondContact O-N 3.25Å; N711-Q715 PolarHBondContact O-N 3.39Å; N711-Q715 VanDerWaalsContact O-N 3.09Å
712K81.6Confident86.6Confident147 Ų14750.6 Ų50.664%0.63924%0.235SC*.Hα-helixtrans-37.6-50.7-177.2-68-174178.5-176.40114.7Y714 Q715 T716K712-Y714 VanDerWaalsContact C-N 3.34Å; K712-Y714 PolarHBondContact O-N 3.18Å; K712-Q715 WeakPolarHBondContact O-CB 3.32Å; K712-Q715 PolarHBondContact O-N 3.18Å; K712-Q715 VanDerWaalsContact O-N 3.08Å; K712-T716 PolarHBondContact O-N 2.75Å; K712-T716 PolarHBondContact O-OG1 3.01Å
713K81Confident86.6Confident149 Ų14950.6 Ų50.665%0.64824%0.235SC*.Hα-helixtrans-51.6-47.7176.4-175.3174.9-178.3177.30113N711 M717N711-K713 VanDerWaalsContact C-N 3.29Å; N711-K713 PolarHBondContact O-N 3Å; K713-M717 HydrophobicContact CG-SD 4Å; K713-M717 WeakPolarHBondContact O-CB 3.39Å; K713-M717 WeakPolarHBondContact O-CG 3.49Å; K713-M717 PolarHBondContact O-N 3.38Å
714Y83Confident86.5Confident52 Ų5251.9 Ų51.920%0.20424%0.242CC..Hα-helixtrans-72.6-34.1177.4-79.2-90.5000112.7Y681 F685 N711 K712 A718Y681-Y714 HydrophobicContact CD2-CD1 4.22Å; Y681-Y714 HydrophobicContact CD2-CD2 4.09Å; Y681-Y714 AromaticContact CD2-CG 3.87Å; Y681-Y714 HydrophobicContact CD2-CG 3.87Å; Y681-Y714 HydrophobicContact CE2-CD1 4.41Å; Y681-Y714 AromaticContact CE2-CD2 3.57Å; Y681-Y714 HydrophobicContact CE2-CD2 3.57Å; Y681-Y714 AromaticContact CE2-CE2 3.88Å; Y681-Y714 HydrophobicContact CE2-CE2 3.88Å; Y681-Y714 AromaticContact CE2-CG 3.85Å; Y681-Y714 HydrophobicContact CE2-CG 3.85Å; F685-Y714 HydrophobicContact CB-CD1 4.05Å; F685-Y714 HydrophobicContact CB-CE1 4.42Å; F685-Y714 HydrophobicContact CD1-CD1 4.08Å; F685-Y714 HydrophobicContact CD1-CE1 4.03Å; F685-Y714 AromaticContact CG-CD1 3.98Å; F685-Y714 HydrophobicContact CG-CD1 3.98Å; F685-Y714 HydrophobicContact CG-CE1 4.34Å; N711-Y714 WeakPolarHBondContact O-CA 3.4Å; N711-Y714 PolarHBondContact O-N 3.25Å; K712-Y714 VanDerWaalsContact C-N 3.34Å; K712-Y714 PolarHBondContact O-N 3.18Å; Y714-A718 WeakPolarHBondContact O-CB 3.29Å; Y714-A718 PolarHBondContact O-N 2.97Å
715Q85.1Confident86.3Confident36 Ų3650.1 Ų50.117%0.16823%0.23CC..Hα-helixtrans-61.7-48.5173.8-57.8177.7-61.800110.7I707 G710 N711 K712 A718 L719I707-Q715 WeakPolarHBondContact O-CG 3.32Å; I707-Q715 PolarHBondContact O-NE2 3.04Å; G710-Q715 WeakPolarHBondContact O-CG 3.3Å; G710-Q715 PolarHBondContact O-NE2 2.71Å; N711-Q715 PolarHBondContact O-N 3.39Å; N711-Q715 VanDerWaalsContact O-N 3.09Å; K712-Q715 WeakPolarHBondContact O-CB 3.32Å; K712-Q715 PolarHBondContact O-N 3.18Å; K712-Q715 VanDerWaalsContact O-N 3.08Å; Q715-A718 PolarHBondContact O-N 3.5Å; Q715-L719 WeakPolarHBondContact O-CG 3.46Å; Q715-L719 PolarHBondContact O-N 3.36Å
716T84.7Confident86.3Confident1 Ų146.2 Ų46.21%0.00621%0.21CC..Hα-helixtrans-60.1-48.1177.1-47.30000111.5K712 A718 L719 I720 V742 V747 L750K712-T716 PolarHBondContact O-N 2.75Å; K712-T716 PolarHBondContact O-OG1 3.01Å; T716-A718 PolarHBondContact O-N 2.85Å; T716-L719 PolarHBondContact O-N 2.82Å; T716-I720 WeakPolarHBondContact O-CG1 3.46Å; T716-I720 PolarHBondContact O-N 3.38Å; T716-I720 VanDerWaalsContact O-N 3.12Å; T716-V742 HydrophobicContact CG2-CG1 3.78Å; T716-V747 HydrophobicContact CG2-CG2 4.37Å; T716-L750 HydrophobicContact CG2-CD1 3.76Å
717M84Confident86.3Confident61 Ų6149.1 Ų49.130%0.322%0.221SC..Hα-helixtrans-63.4-40176.8-69.7171.373.200112.4F685 K713 I720 Q721F685-M717 HydrophobicContact CE1-CE 4.08Å; F685-M717 HydrophobicContact CE2-CB 3.87Å; F685-M717 HydrophobicContact CZ-CB 3.92Å; F685-M717 HydrophobicContact CZ-CE 3.94Å; K713-M717 HydrophobicContact CG-SD 4Å; K713-M717 WeakPolarHBondContact O-CB 3.39Å; K713-M717 WeakPolarHBondContact O-CG 3.49Å; K713-M717 PolarHBondContact O-N 3.38Å; M717-I720 PolarHBondContact O-N 3.42Å; M717-Q721 WeakPolarHBondContact O-CG 3.37Å; M717-Q721 PolarHBondContact O-N 2.97Å
718A88.1Confident86.2Confident0 Ų053.2 Ų53.20%024%0.24CC..Hα-helixtrans-68.2-36.6178.700000112.4F685 L703 C706 I707 Y714 Q715 T716 Q721 R722F685-A718 HydrophobicContact CD2-CB 4.07Å; F685-A718 HydrophobicContact CE2-CB 4.37Å; L703-A718 HydrophobicContact CD2-CB 4.14Å; C706-A718 HydrophobicContact CB-CB 4.18Å; I707-A718 HydrophobicContact CD1-CB 4.28Å; I707-A718 HydrophobicContact CG1-CB 3.64Å; Y714-A718 WeakPolarHBondContact O-CB 3.29Å; Y714-A718 PolarHBondContact O-N 2.97Å; Q715-A718 PolarHBondContact O-N 3.5Å; T716-A718 PolarHBondContact O-N 2.85Å; A718-Q721 PolarHBondContact O-N 3.21Å; A718-R722 VanDerWaalsContact O-CB 3.22Å; A718-R722 WeakPolarHBondContact O-CB 3.2Å; A718-R722 PolarHBondContact O-N 3.06Å
719L89.6Confident86.1Confident4 Ų447.4 Ų47.42%0.02122%0.221CC..Hα-helixtrans-63.9-44.9172.4-77.3165.5000112.2I707 Q715 T716 Q721 R722 G723 D738 T741 V742 Y745I707-L719 HydrophobicContact CD1-CD2 3.58Å; I707-L719 HydrophobicContact CD1-CG 3.8Å; I707-L719 HydrophobicContact CG1-CD2 4.24Å; I707-L719 HydrophobicContact CG1-CG 4Å; I707-L719 HydrophobicContact CG2-CD2 4.32Å; I707-L719 HydrophobicContact CG2-CG 4.32Å; Q715-L719 WeakPolarHBondContact O-CG 3.46Å; Q715-L719 PolarHBondContact O-N 3.36Å; T716-L719 PolarHBondContact O-N 2.82Å; L719-Q721 PolarHBondContact O-N 2.71Å; L719-R722 PolarHBondContact O-N 2.84Å; L719-G723 PolarHBondContact O-N 3.27Å; L719-D738 HydrophobicContact CD2-CB 4.29Å; L719-T741 WeakPolarHBondContact CD2-OG1 3.28Å; L719-V742 HydrophobicContact CB-CG2 3.55Å; L719-V742 HydrophobicContact CD1-CG2 4.32Å; L719-Y745 HydrophobicContact CD1-CD2 4.3Å; L719-Y745 HydrophobicContact CD1-CE2 3.55Å
720I88Confident86.1Confident22 Ų2252.1 Ų52.111%0.11324%0.24CC..Hα-helixtrans-60.4-46.5176-64170.8000110.4T716 M717 G723 L724 F739 V742 L750 V754 L757T716-I720 WeakPolarHBondContact O-CG1 3.46Å; T716-I720 PolarHBondContact O-N 3.38Å; T716-I720 VanDerWaalsContact O-N 3.12Å; M717-I720 PolarHBondContact O-N 3.42Å; I720-G723 PolarHBondContact O-N 2.69Å; I720-L724 HydrophobicContact CG2-CD1 4.1Å; I720-L724 WeakPolarHBondContact O-CG 3.12Å; I720-L724 PolarHBondContact O-N 3.17Å; I720-F739 HydrophobicContact CG2-CE1 4.44Å; I720-F739 WeakPolarHBondContact O-CE1 3.49Å; I720-V742 HydrophobicContact CD1-CG1 4.23Å; I720-V742 HydrophobicContact CG1-CG1 4.18Å; I720-V742 HydrophobicContact CG1-CG2 3.75Å; I720-L750 HydrophobicContact CD1-CD1 4.06Å; I720-L750 HydrophobicContact CD1-CD2 4.42Å; I720-V754 HydrophobicContact CD1-CG2 4.17Å; I720-V754 HydrophobicContact CG1-CG2 4.41Å; I720-L757 HydrophobicContact CG2-CD1 4.29Å
721Q89Confident86.7Confident47 Ų4756.3 Ų56.322%0.2226%0.256CS..Hα-helixtrans-66.2-40.4178.7-68.7-62-27.200112.5F685 L703 M717 A718 L719 G723 L724 I725F685-Q721 HydrophobicContact CE2-CG 4.19Å; F685-Q721 HydrophobicContact CZ-CG 4.34Å; L703-Q721 HydrophobicContact CD1-CB 4.04Å; L703-Q721 HydrophobicContact CD2-CB 4.33Å; M717-Q721 WeakPolarHBondContact O-CG 3.37Å; M717-Q721 PolarHBondContact O-N 2.97Å; A718-Q721 PolarHBondContact O-N 3.21Å; L719-Q721 PolarHBondContact O-N 2.71Å; Q721-G723 VanDerWaalsContact C-N 3.35Å; Q721-G723 PolarHBondContact O-N 3.31Å; Q721-L724 PolarHBondContact O-N 3.43Å; Q721-I725 WeakPolarHBondContact O-CD1 3.44Å; Q721-I725 WeakPolarHBondContact O-CG1 3.17Å; Q721-I725 PolarHBondContact O-N 2.76Å
722R90.8Very high87.2Confident43 Ų4353 Ų5316%0.16224%0.236CC..Hα-helixtrans-62.7-43.2175.6-162.5175.974-177.3-5.1110.7L700 L703 T704 A718 L719 I725 L726 D738L700-R722 HydrophobicContact CD2-CG 3.57Å; L703-R722 HydrophobicContact CB-CB 4.33Å; L703-R722 HydrophobicContact CD1-CB 4.29Å; T704-R722 WeakPolarHBondContact OG1-CD 3.48Å; T704-R722 PolarHBondContact OG1-NH1 3.13Å; A718-R722 VanDerWaalsContact O-CB 3.22Å; A718-R722 WeakPolarHBondContact O-CB 3.2Å; A718-R722 PolarHBondContact O-N 3.06Å; L719-R722 PolarHBondContact O-N 2.84Å; R722-I725 PolarHBondContact O-N 2.95Å; R722-L726 HydrophobicContact CG-CD1 4.11Å; R722-L726 WeakPolarHBondContact O-CB 3.32Å; R722-L726 WeakPolarHBondContact O-CD1 3.3Å; R722-L726 WeakPolarHBondContact O-CG 3.47Å; R722-L726 PolarHBondContact O-N 2.95Å; R722-D738 VanDerWaalsContact CB-OD2 3.32Å; R722-D738 WeakPolarHBondContact CB-OD2 3.1Å; R722-D738 VanDerWaalsContact CG-OD2 3.27Å; R722-D738 WeakPolarHBondContact CG-OD2 3.34Å; R722-D738 IonicContact CZ-OD1 3.61Å; R722-D738 IonicContact CZ-OD2 3.51Å; R722-D738 IonicContact NE-OD1 2.72Å; R722-D738 PolarHBondContact NE-OD1 3.35Å; R722-D738 IonicContact NE-OD2 2.74Å; R722-D738 PolarHBondContact NE-OD2 3.4Å; R722-D738 IonicContact NH2-OD1 3.67Å; R722-D738 PolarHBondContact NH2-OD1 2.8Å; R722-D738 IonicContact NH2-OD2 3.43Å
723G89.3Confident87.5Confident0 Ų053.9 Ų53.90%024%0.24CC..Hα-helixtrans-59.9-43.8173.100000113.4L719 I720 Q721 L726 Y727 A735 D738L719-G723 PolarHBondContact O-N 3.27Å; I720-G723 PolarHBondContact O-N 2.69Å; Q721-G723 VanDerWaalsContact C-N 3.35Å; Q721-G723 PolarHBondContact O-N 3.31Å; G723-L726 PolarHBondContact O-N 3.39Å; G723-Y727 WeakPolarHBondContact O-CB 3.41Å; G723-Y727 PolarHBondContact O-N 3.42Å; G723-A735 WeakPolarHBondContact O-CB 3.49Å; G723-D738 PolarHBondContact N-OD2 3.2Å
724L88.7Confident88Confident27 Ų2751.7 Ų51.714%0.14123%0.233CC..Hα-helixtrans-63.1-42176.7-73.7169.7000112.6I720 Q721 Y727 Q728 F739 L757I720-L724 HydrophobicContact CG2-CD1 4.1Å; I720-L724 WeakPolarHBondContact O-CG 3.12Å; I720-L724 PolarHBondContact O-N 3.17Å; Q721-L724 PolarHBondContact O-N 3.43Å; L724-Y727 WeakPolarHBondContact O-CB 3.18Å; L724-Y727 PolarHBondContact O-N 3.35Å; L724-Q728 WeakPolarHBondContact O-CG 3.33Å; L724-Q728 PolarHBondContact O-N 3.21Å; L724-F739 HydrophobicContact CD2-CZ 4.21Å; L724-F739 HydrophobicContact CG-CE1 4.35Å; L724-F739 HydrophobicContact CG-CZ 4.18Å; L724-L757 HydrophobicContact CD2-CD1 4.23Å; L724-L757 HydrophobicContact CD2-CD2 3.75Å
725I88.8Confident88.4Confident3 Ų349.2 Ų49.22%0.01522%0.223CC..Hα-helixtrans-64.1-44.6174.1-62.5154000110.4T692 P696 S699 L700 L703 Q721 R722 Y727 Q728 L729T692-I725 HydrophobicContact CG2-CD1 3.87Å; T692-I725 HydrophobicContact CG2-CG1 3.89Å; P696-I725 HydrophobicContact CB-CG2 3.92Å; S699-I725 WeakPolarHBondContact OG-CD1 3.38Å; L700-I725 HydrophobicContact CD2-CB 4.04Å; L700-I725 HydrophobicContact CD2-CD1 4.38Å; L700-I725 HydrophobicContact CD2-CG2 3.81Å; L700-I725 HydrophobicContact CG-CG2 4.03Å; L703-I725 HydrophobicContact CD1-CD1 3.36Å; Q721-I725 WeakPolarHBondContact O-CD1 3.44Å; Q721-I725 WeakPolarHBondContact O-CG1 3.17Å; Q721-I725 PolarHBondContact O-N 2.76Å; R722-I725 PolarHBondContact O-N 2.95Å; I725-Y727 VanDerWaalsContact C-N 3.26Å; I725-Y727 PolarHBondContact O-N 3.46Å; I725-Q728 PolarHBondContact O-N 3.19Å; I725-L729 HydrophobicContact CG2-CD1 3.87Å; I725-L729 HydrophobicContact CG2-CG 4.19Å; I725-L729 WeakPolarHBondContact O-CB 3.45Å; I725-L729 VanDerWaalsContact O-CG 3.29Å; I725-L729 WeakPolarHBondContact O-CG 3.29Å; I725-L729 PolarHBondContact O-N 3.47Å
726L90.2Very high88.6Confident3 Ų348.2 Ų48.22%0.01622%0.219CC..Hα-helixtrans-63.9-32.7178.4-69.9165.1000111.9L700 R722 G723 K730 K731 M734 A735 D738L700-L726 HydrophobicContact CD1-CD2 3.99Å; L700-L726 HydrophobicContact CD2-CD1 4.46Å; L700-L726 HydrophobicContact CD2-CD2 4.02Å; L700-L726 HydrophobicContact CD2-CG 3.87Å; R722-L726 HydrophobicContact CG-CD1 4.11Å; R722-L726 WeakPolarHBondContact O-CB 3.32Å; R722-L726 WeakPolarHBondContact O-CD1 3.3Å; R722-L726 WeakPolarHBondContact O-CG 3.47Å; R722-L726 PolarHBondContact O-N 2.95Å; G723-L726 PolarHBondContact O-N 3.39Å; L726-K730 PolarHBondContact O-N 3.14Å; L726-K731 HydrophobicContact CB-CB 4.35Å; L726-K731 HydrophobicContact CD2-CB 4Å; L726-K731 HydrophobicContact CD2-CD 3.92Å; L726-K731 CarbonylContact O-C 3.6Å; L726-K731 WeakPolarHBondContact O-CA 3.22Å; L726-K731 WeakPolarHBondContact O-CB 3.16Å; L726-K731 PolarHBondContact O-N 3.04Å; L726-M734 HydrophobicContact CD1-CB 3.74Å; L726-M734 HydrophobicContact CD2-CB 4.05Å; L726-M734 HydrophobicContact CD2-CE 4.25Å; L726-M734 HydrophobicContact CD2-SD 4.16Å; L726-M734 HydrophobicContact CG-CB 4.31Å; L726-A735 HydrophobicContact CB-CB 3.72Å; L726-D738 VanDerWaalsContact CD1-OD2 3.3Å; L726-D738 WeakPolarHBondContact CD1-OD2 3.4Å
727Y89.8Confident88.9Confident60 Ų6052.8 Ų52.824%0.23524%0.244CC..Hα-helixtrans-67.2-47.8171.4177.8-93.6000111.6G723 L724 I725 L729 K730 Y732 T761 Q764G723-Y727 WeakPolarHBondContact O-CB 3.41Å; G723-Y727 PolarHBondContact O-N 3.42Å; L724-Y727 WeakPolarHBondContact O-CB 3.18Å; L724-Y727 PolarHBondContact O-N 3.35Å; I725-Y727 VanDerWaalsContact C-N 3.26Å; I725-Y727 PolarHBondContact O-N 3.46Å; Y727-L729 VanDerWaalsContact C-N 3.32Å; Y727-L729 PolarHBondContact O-N 3.4Å; Y727-K730 WeakPolarHBondContact O-CA 3.3Å; Y727-K730 PolarHBondContact O-N 2.74Å; Y727-Y732 AromaticContact CD2-CD1 3.68Å; Y727-Y732 HydrophobicContact CD2-CD1 3.68Å; Y727-Y732 AromaticContact CD2-CE1 3.84Å; Y727-Y732 HydrophobicContact CD2-CE1 3.84Å; Y727-Y732 HydrophobicContact CE2-CD1 4.25Å; Y727-Y732 HydrophobicContact CE2-CE1 4.12Å; Y727-Y732 HydrophobicContact CG-CD1 4.29Å; Y727-Y732 HydrophobicContact CG-CE1 4.27Å; Y727-Y732 VanDerWaalsContact O-CE1 3.23Å; Y727-Y732 WeakPolarHBondContact O-CE1 3.49Å; Y727-T761 HydrophobicContact CD2-CG2 3.7Å; Y727-T761 HydrophobicContact CE2-CG2 4.22Å; Y727-Q764 HydrophobicContact CE2-CB 4.17Å; Y727-Q764 HydrophobicContact CE2-CG 3.55Å; Y727-Q764 VanDerWaalsContact OH-CG 3.29Å; Y727-Q764 WeakPolarHBondContact OH-CG 3.5Å
728Q85.1Confident89.2Confident105 Ų10550.4 Ų50.449%0.49123%0.232SC..Hα-helixtrans-61.1-38.2175.5-72.4176.2-10.300112.6L724 I725 K730L724-Q728 WeakPolarHBondContact O-CG 3.33Å; L724-Q728 PolarHBondContact O-N 3.21Å; I725-Q728 PolarHBondContact O-N 3.19Å; Q728-K730 PolarHBondContact O-N 3.27Å
729L86.6Confident89.3Confident64 Ų6450.5 Ų50.534%0.33523%0.232SC..THydrogen-bonded Turntrans-72.84.2172.7-68.4177.1000114P696 L700 I725 Y727 K731P696-L729 HydrophobicContact CB-CD1 4.26Å; P696-L729 HydrophobicContact CB-CD2 4.16Å; P696-L729 HydrophobicContact CB-CG 4.47Å; P696-L729 HydrophobicContact CG-CD2 4.07Å; L700-L729 HydrophobicContact CD1-CD1 3.84Å; I725-L729 HydrophobicContact CG2-CD1 3.87Å; I725-L729 HydrophobicContact CG2-CG 4.19Å; I725-L729 WeakPolarHBondContact O-CB 3.45Å; I725-L729 VanDerWaalsContact O-CG 3.29Å; I725-L729 WeakPolarHBondContact O-CG 3.29Å; I725-L729 PolarHBondContact O-N 3.47Å; Y727-L729 VanDerWaalsContact C-N 3.32Å; Y727-L729 PolarHBondContact O-N 3.4Å; L729-K731 HydrophobicContact CB-CG 4.18Å; L729-K731 PolarHBondContact O-N 3.39Å; L729-K731 VanDerWaalsContact O-N 3.07Å
730K87Confident89.2Confident161 Ų16154.1 Ų54.170%0.725%0.249SC*.THydrogen-bonded Turntrans58.615.2-175.6-49.9-175.9-178.5178.50114.5L726 Y727 Q728 Y732L726-K730 PolarHBondContact O-N 3.14Å; Y727-K730 WeakPolarHBondContact O-CA 3.3Å; Y727-K730 PolarHBondContact O-N 2.74Å; Q728-K730 PolarHBondContact O-N 3.27Å; K730-Y732 HydrophobicContact CB-CE1 4.33Å; K730-Y732 HydrophobicContact CB-CE2 4.14Å; K730-Y732 PolarHBondContact O-N 3.17Å
731K89.2Confident89.1Confident94 Ų9455.7 Ų55.741%0.40926%0.26SS..  trans-81.647.5173.1-63.2-170.7177.8-173.30110.9L726 L729 K733 M734 A735L726-K731 HydrophobicContact CB-CB 4.35Å; L726-K731 HydrophobicContact CD2-CB 4Å; L726-K731 HydrophobicContact CD2-CD 3.92Å; L726-K731 CarbonylContact O-C 3.6Å; L726-K731 WeakPolarHBondContact O-CA 3.22Å; L726-K731 WeakPolarHBondContact O-CB 3.16Å; L726-K731 PolarHBondContact O-N 3.04Å; L729-K731 HydrophobicContact CB-CG 4.18Å; L729-K731 PolarHBondContact O-N 3.39Å; L729-K731 VanDerWaalsContact O-N 3.07Å; K731-K733 PolarHBondContact O-N 3.03Å; K731-M734 HydrophobicContact CB-SD 4.4Å; K731-M734 HydrophobicContact CD-SD 4.03Å; K731-M734 PolarHBondContact O-N 2.66Å; K731-A735 PolarHBondContact O-N 2.87Å
732Y90.8Very high88.9Confident35 Ų3553.8 Ų53.814%0.13725%0.252CS..Hα-helixtrans-53.9-35.2-168.3-52.1-53.9000114Y727 K730 M734 A735 L736 Q764 L765Y727-Y732 AromaticContact CD2-CD1 3.68Å; Y727-Y732 HydrophobicContact CD2-CD1 3.68Å; Y727-Y732 AromaticContact CD2-CE1 3.84Å; Y727-Y732 HydrophobicContact CD2-CE1 3.84Å; Y727-Y732 HydrophobicContact CE2-CD1 4.25Å; Y727-Y732 HydrophobicContact CE2-CE1 4.12Å; Y727-Y732 HydrophobicContact CG-CD1 4.29Å; Y727-Y732 HydrophobicContact CG-CE1 4.27Å; Y727-Y732 VanDerWaalsContact O-CE1 3.23Å; Y727-Y732 WeakPolarHBondContact O-CE1 3.49Å; K730-Y732 HydrophobicContact CB-CE1 4.33Å; K730-Y732 HydrophobicContact CB-CE2 4.14Å; K730-Y732 PolarHBondContact O-N 3.17Å; Y732-M734 VanDerWaalsContact C-N 3.32Å; Y732-M734 PolarHBondContact O-N 2.96Å; Y732-A735 PolarHBondContact O-N 3.17Å; Y732-L736 WeakPolarHBondContact O-CB 3.45Å; Y732-L736 PolarHBondContact O-N 2.78Å; Y732-Q764 HydrophobicContact CD1-CB 4.13Å; Y732-Q764 HydrophobicContact CD2-CB 4.17Å; Y732-Q764 HydrophobicContact CE1-CB 3.72Å; Y732-Q764 HydrophobicContact CE1-CG 4.19Å; Y732-Q764 HydrophobicContact CE2-CB 3.75Å; Y732-Q764 WeakPolarHBondContact CE2-O 3.37Å; Y732-Q764 HydrophobicContact CG-CB 4.34Å; Y732-L765 HydrophobicContact CD2-CD2 4.12Å; Y732-L765 HydrophobicContact CD2-CG 4.14Å; Y732-L765 HydrophobicContact CG-CD2 4.49Å; Y732-L765 HydrophobicContact CG-CG 4.26Å
733K89.6Confident88.3Confident164 Ų16453.1 Ų53.171%0.71325%0.251SS*.Hα-helixtrans-58.2-39.8174.8-68.7-175178-1780113.2K731 N737 L765K731-K733 PolarHBondContact O-N 3.03Å; K733-N737 PolarHBondContact O-N 2.92Å; K733-N737 PolarHBondContact O-OD1 3.21Å; K733-L765 HydrophobicContact CG-CD2 4.43Å
734M89.9Confident88Confident103 Ų10358 Ų5851%0.50728%0.281SS..Hα-helixtrans-77.5-38.1178.6-59.4177.869.300111L726 K731 Y732 L736 N737 D738L726-M734 HydrophobicContact CD1-CB 3.74Å; L726-M734 HydrophobicContact CD2-CB 4.05Å; L726-M734 HydrophobicContact CD2-CE 4.25Å; L726-M734 HydrophobicContact CD2-SD 4.16Å; L726-M734 HydrophobicContact CG-CB 4.31Å; K731-M734 HydrophobicContact CB-SD 4.4Å; K731-M734 HydrophobicContact CD-SD 4.03Å; K731-M734 PolarHBondContact O-N 2.66Å; Y732-M734 VanDerWaalsContact C-N 3.32Å; Y732-M734 PolarHBondContact O-N 2.96Å; M734-L736 VanDerWaalsContact C-N 3.31Å; M734-L736 PolarHBondContact O-N 3.39Å; M734-N737 PolarHBondContact O-N 3.43Å; M734-D738 PolarHBondContact O-N 3.04Å; M734-D738 VanDerWaalsContact O-N 3.1Å
735A91.9Very high87.2Confident0 Ų060.2 Ų60.20%029%0.288CS..Hα-helixtrans-58.7-44.1174.900000112.1G723 L726 K731 Y732 D738 F739 T761G723-A735 WeakPolarHBondContact O-CB 3.49Å; L726-A735 HydrophobicContact CB-CB 3.72Å; K731-A735 PolarHBondContact O-N 2.87Å; Y732-A735 PolarHBondContact O-N 3.17Å; A735-D738 PolarHBondContact O-N 3.2Å; A735-F739 HydrophobicContact CB-CD2 4.46Å; A735-F739 HydrophobicContact CB-CE2 4.08Å; A735-F739 WeakPolarHBondContact O-CD2 3.42Å; A735-F739 VanDerWaalsContact O-CG 3.3Å; A735-F739 WeakPolarHBondContact O-CG 3.41Å; A735-F739 PolarHBondContact O-N 2.92Å; A735-T761 HydrophobicContact CB-CG2 4.42Å
736L90.4Very high86Confident16 Ų1666 Ų668%0.08432%0.319CS..Hα-helixtrans-60-45.1177179.7164.5000111.7Y732 M734 F739 Q740 Y762 L765Y732-L736 WeakPolarHBondContact O-CB 3.45Å; Y732-L736 PolarHBondContact O-N 2.78Å; M734-L736 VanDerWaalsContact C-N 3.31Å; M734-L736 PolarHBondContact O-N 3.39Å; L736-F739 PolarHBondContact O-N 3.02Å; L736-Q740 HydrophobicContact CD2-CG 4.32Å; L736-Q740 WeakPolarHBondContact O-CB 3.42Å; L736-Q740 WeakPolarHBondContact O-CG 3.47Å; L736-Q740 PolarHBondContact O-N 3.04Å; L736-Y762 HydrophobicContact CD1-CD1 4Å; L736-Y762 HydrophobicContact CD1-CE1 3.43Å; L736-Y762 VanDerWaalsContact CD1-CE1 3.43Å; L736-Y762 HydrophobicContact CD1-CE2 4.05Å; L736-Y762 VanDerWaalsContact CD1-CZ 3.47Å; L736-L765 HydrophobicContact CD1-CD1 3.93Å
737N90.4Very high84.7Confident97 Ų9767.5 Ų67.552%0.51933%0.328SS..Hα-helixtrans-59.7-47174.2-74.519.1000111.5K733 M734 F739 Q740 T741K733-N737 PolarHBondContact O-N 2.92Å; K733-N737 PolarHBondContact O-OD1 3.21Å; M734-N737 PolarHBondContact O-N 3.43Å; N737-F739 PolarHBondContact O-N 3.21Å; N737-Q740 PolarHBondContact O-N 2.91Å; N737-T741 WeakPolarHBondContact O-CG2 3.29Å; N737-T741 PolarHBondContact O-N 3.23Å; N737-T741 PolarHBondContact O-OG1 3.38Å
738D90Very high83.3Confident11 Ų1170.9 Ų70.96%0.05935%0.35CS..Hα-helixtrans-58.9-50178.7-76.8-0.7000111.3L719 R722 G723 L726 M734 A735 Q740 T741 V742L719-D738 HydrophobicContact CD2-CB 4.29Å; R722-D738 VanDerWaalsContact CB-OD2 3.32Å; R722-D738 WeakPolarHBondContact CB-OD2 3.1Å; R722-D738 VanDerWaalsContact CG-OD2 3.27Å; R722-D738 WeakPolarHBondContact CG-OD2 3.34Å; R722-D738 IonicContact CZ-OD1 3.61Å; R722-D738 IonicContact CZ-OD2 3.51Å; R722-D738 IonicContact NE-OD1 2.72Å; R722-D738 PolarHBondContact NE-OD1 3.35Å; R722-D738 IonicContact NE-OD2 2.74Å; R722-D738 PolarHBondContact NE-OD2 3.4Å; R722-D738 IonicContact NH2-OD1 3.67Å; R722-D738 PolarHBondContact NH2-OD1 2.8Å; R722-D738 IonicContact NH2-OD2 3.43Å; G723-D738 PolarHBondContact N-OD2 3.2Å; L726-D738 VanDerWaalsContact CD1-OD2 3.3Å; L726-D738 WeakPolarHBondContact CD1-OD2 3.4Å; M734-D738 PolarHBondContact O-N 3.04Å; M734-D738 VanDerWaalsContact O-N 3.1Å; A735-D738 PolarHBondContact O-N 3.2Å; D738-Q740 VanDerWaalsContact C-N 3.32Å; D738-Q740 PolarHBondContact O-N 3.09Å; D738-T741 PolarHBondContact O-N 3.33Å; D738-T741 VanDerWaalsContact O-N 3.16Å; D738-T741 PolarHBondContact O-OG1 2.75Å; D738-V742 PolarHBondContact O-N 3.39Å; D738-V742 VanDerWaalsContact O-N 3.13Å
739F89.7Confident82.5Confident1 Ų172.7 Ų72.70%0.00436%0.359CS..Hα-helixtrans-63.7-34.4177.3-61.3-45.4000112.8I720 L724 A735 L736 N737 V742 V754 L757 I758 T761I720-F739 HydrophobicContact CG2-CE1 4.44Å; I720-F739 WeakPolarHBondContact O-CE1 3.49Å; L724-F739 HydrophobicContact CD2-CZ 4.21Å; L724-F739 HydrophobicContact CG-CE1 4.35Å; L724-F739 HydrophobicContact CG-CZ 4.18Å; A735-F739 HydrophobicContact CB-CD2 4.46Å; A735-F739 HydrophobicContact CB-CE2 4.08Å; A735-F739 WeakPolarHBondContact O-CD2 3.42Å; A735-F739 VanDerWaalsContact O-CG 3.3Å; A735-F739 WeakPolarHBondContact O-CG 3.41Å; A735-F739 PolarHBondContact O-N 2.92Å; L736-F739 PolarHBondContact O-N 3.02Å; N737-F739 PolarHBondContact O-N 3.21Å; F739-V742 WeakPolarHBondContact O-CB 3.37Å; F739-V742 PolarHBondContact O-N 3.14Å; F739-V754 HydrophobicContact CB-CG1 4.37Å; F739-V754 VanDerWaalsContact O-CG1 3.28Å; F739-V754 WeakPolarHBondContact O-CG1 3.48Å; F739-L757 HydrophobicContact CD1-CB 4.47Å; F739-L757 HydrophobicContact CD1-CD1 4.35Å; F739-L757 HydrophobicContact CD2-CB 4.27Å; F739-L757 HydrophobicContact CE1-CB 4.29Å; F739-L757 HydrophobicContact CE1-CD1 3.79Å; F739-L757 HydrophobicContact CE2-CB 4.09Å; F739-L757 HydrophobicContact CG-CB 4.46Å; F739-L757 HydrophobicContact CZ-CB 4.1Å; F739-L757 HydrophobicContact CZ-CD1 4.08Å; F739-L757 HydrophobicContact CZ-CG 4.49Å; F739-I758 HydrophobicContact CB-CD1 4.01Å; F739-I758 HydrophobicContact CB-CG1 3.39Å; F739-I758 HydrophobicContact CD2-CG1 4.46Å; F739-I758 HydrophobicContact CG-CG1 4.3Å; F739-T761 HydrophobicContact CD2-CG2 3.79Å; F739-T761 HydrophobicContact CE2-CG2 3.58Å
740Q87.7Confident81.5Confident80 Ų8071.6 Ų71.637%0.37435%0.353SS..Hα-helixtrans-66.5-39172.8-77.8-179.7-16.900112.1L736 N737 D738 V742 L743 I758L736-Q740 HydrophobicContact CD2-CG 4.32Å; L736-Q740 WeakPolarHBondContact O-CB 3.42Å; L736-Q740 WeakPolarHBondContact O-CG 3.47Å; L736-Q740 PolarHBondContact O-N 3.04Å; N737-Q740 PolarHBondContact O-N 2.91Å; D738-Q740 VanDerWaalsContact C-N 3.32Å; D738-Q740 PolarHBondContact O-N 3.09Å; Q740-V742 PolarHBondContact O-N 3.27Å; Q740-L743 WeakPolarHBondContact O-CB 3.26Å; Q740-L743 PolarHBondContact O-N 3.42Å; Q740-L743 VanDerWaalsContact O-N 3.12Å; Q740-I758 HydrophobicContact CG-CD1 4.23Å
741T86.1Confident80.8Confident56 Ų5665.7 Ų65.734%0.34433%0.327SS..Hα-helixtrans-66.9-22.417459.30000113.3L719 N737 D738 L743 T744 Y745L719-T741 WeakPolarHBondContact CD2-OG1 3.28Å; N737-T741 WeakPolarHBondContact O-CG2 3.29Å; N737-T741 PolarHBondContact O-N 3.23Å; N737-T741 PolarHBondContact O-OG1 3.38Å; D738-T741 PolarHBondContact O-N 3.33Å; D738-T741 VanDerWaalsContact O-N 3.16Å; D738-T741 PolarHBondContact O-OG1 2.75Å; T741-L743 VanDerWaalsContact C-N 3.28Å; T741-L743 PolarHBondContact O-N 3.22Å; T741-T744 PolarHBondContact O-OG1 2.9Å; T741-Y745 WeakPolarHBondContact O-CD2 3.25Å; T741-Y745 VanDerWaalsContact O-CE2 3.22Å; T741-Y745 WeakPolarHBondContact O-CE2 3.4Å
742V85.2Confident80Confident6 Ų663 Ų634%0.03632%0.318CS..Hα-helixtrans-64.3-34.7171.5171.50000111.5T716 L719 I720 D738 F739 Q740 T744 Y745 V754T716-V742 HydrophobicContact CG2-CG1 3.78Å; L719-V742 HydrophobicContact CB-CG2 3.55Å; L719-V742 HydrophobicContact CD1-CG2 4.32Å; I720-V742 HydrophobicContact CD1-CG1 4.23Å; I720-V742 HydrophobicContact CG1-CG1 4.18Å; I720-V742 HydrophobicContact CG1-CG2 3.75Å; D738-V742 PolarHBondContact O-N 3.39Å; D738-V742 VanDerWaalsContact O-N 3.13Å; F739-V742 WeakPolarHBondContact O-CB 3.37Å; F739-V742 PolarHBondContact O-N 3.14Å; Q740-V742 PolarHBondContact O-N 3.27Å; V742-T744 PolarHBondContact O-N 3.32Å; V742-Y745 PolarHBondContact O-N 2.89Å; V742-V754 HydrophobicContact CB-CG1 4.14Å; V742-V754 HydrophobicContact CB-CG2 4.28Å; V742-V754 HydrophobicContact CG1-CB 4.37Å; V742-V754 HydrophobicContact CG1-CG1 4.09Å; V742-V754 HydrophobicContact CG1-CG2 3.47Å; V742-V754 VanDerWaalsContact CG1-CG2 3.47Å
743L78.5Confident79.4Confident29 Ų2964.8 Ų64.815%0.15233%0.33CS..THydrogen-bonded Turntrans-66.1-20.4-176.3-62.4176.1000113.9Q740 T741 Y751 V754 Y755 I758Q740-L743 WeakPolarHBondContact O-CB 3.26Å; Q740-L743 PolarHBondContact O-N 3.42Å; Q740-L743 VanDerWaalsContact O-N 3.12Å; T741-L743 VanDerWaalsContact C-N 3.28Å; T741-L743 PolarHBondContact O-N 3.22Å; L743-Y751 HydrophobicContact CB-CE1 4.18Å; L743-Y751 HydrophobicContact CD2-CD1 3.51Å; L743-Y751 HydrophobicContact CD2-CE1 3.72Å; L743-Y751 WeakPolarHBondContact O-CE1 3.37Å; L743-Y751 PolarHBondContact O-OH 3.11Å; L743-V754 HydrophobicContact CD2-CB 4.16Å; L743-V754 HydrophobicContact CD2-CG1 3.56Å; L743-V754 HydrophobicContact CG-CG1 3.92Å; L743-Y755 HydrophobicContact CD1-CE1 4.24Å; L743-Y755 HydrophobicContact CD2-CD2 4.05Å; L743-Y755 HydrophobicContact CD2-CE2 3.65Å; L743-I758 HydrophobicContact CD1-CD1 3.72Å; L743-I758 HydrophobicContact CG-CD1 4.22Å
744T81.6Confident79.2Confident104 Ų10457 Ų5764%0.63830%0.296SS*.THydrogen-bonded Turntrans-87.9-7.7-177.261.10000114.2T741 V742T741-T744 PolarHBondContact O-OG1 2.9Å; V742-T744 PolarHBondContact O-N 3.32Å
745Y73.7Confident79.1Confident72 Ų7252.4 Ų52.428%0.28227%0.273SS..SBendtrans-87.1-2.6-175-75.7-74.9000115.4L719 T741 V742L719-Y745 HydrophobicContact CD1-CD2 4.3Å; L719-Y745 HydrophobicContact CD1-CE2 3.55Å; T741-Y745 WeakPolarHBondContact O-CD2 3.25Å; T741-Y745 VanDerWaalsContact O-CE2 3.22Å; T741-Y745 WeakPolarHBondContact O-CE2 3.4Å; V742-Y745 PolarHBondContact O-N 2.89Å
746N62.7Low78.8Confident125 Ų12555.8 Ų55.867%0.66829%0.286SS*.  trans50.565.7-179-666.1000112.9Y751N746-Y751 VanDerWaalsContact CA-OH 3.31Å; N746-Y751 WeakPolarHBondContact CA-OH 3.45Å; N746-Y751 PolarHBondContact N-OH 3.47Å; N746-Y751 PolarHBondContact OD1-OH 2.99Å
747V62.4Low78.8Confident34 Ų3456.2 Ų56.221%0.20629%0.288CS..  trans-122.587.9179.2-174.40000109.3T716 H749 L750T716-V747 HydrophobicContact CG2-CG2 4.37Å; V747-H749 VanDerWaalsContact C-N 3.31Å; V747-H749 WeakPolarHBondContact CG1-CE1 3.44Å; V747-H749 PolarHBondContact O-N 2.98Å; V747-H749 VanDerWaalsContact O-N 3.12Å; V747-L750 HydrophobicContact CG1-CD1 3.9Å; V747-L750 HydrophobicContact CG1-CG 4.25Å; V747-L750 PolarHBondContact O-N 3.34Å
748D61.8Low78.8Confident131 Ų13151.7 Ų51.770%0.70126%0.264SS*.G310 helixtrans-55.1-39.7-159.8-58.7-31.4000114.9L750D748-L750 VanDerWaalsContact C-N 3.27Å; D748-L750 PolarHBondContact O-N 3.45Å
749H67.2Low78.6Confident144 Ų14451.2 Ų51.267%0.66726%0.261SS*.G310 helixtrans-71.1-12.7-176.963.4-87.7000115V747V747-H749 VanDerWaalsContact C-N 3.31Å; V747-H749 WeakPolarHBondContact CG1-CE1 3.44Å; V747-H749 PolarHBondContact O-N 2.98Å; V747-H749 VanDerWaalsContact O-N 3.12Å
750L66.5Low78.6Confident41 Ų4153 Ų5322%0.21527%0.271CS..G310 helixtrans-101.4-11.4-177.5-68174.4000114.3T716 I720 V747 D748 T752 V754T716-L750 HydrophobicContact CG2-CD1 3.76Å; I720-L750 HydrophobicContact CD1-CD1 4.06Å; I720-L750 HydrophobicContact CD1-CD2 4.42Å; V747-L750 HydrophobicContact CG1-CD1 3.9Å; V747-L750 HydrophobicContact CG1-CG 4.25Å; V747-L750 PolarHBondContact O-N 3.34Å; D748-L750 VanDerWaalsContact C-N 3.27Å; D748-L750 PolarHBondContact O-N 3.45Å; L750-T752 VanDerWaalsContact C-N 3.33Å; L750-T752 PolarHBondContact O-N 2.99Å; L750-V754 WeakPolarHBondContact O-CG2 3.47Å; L750-V754 PolarHBondContact O-N 3.26Å
751Y71Confident78.7Confident37 Ų3749.1 Ų49.115%0.14525%0.253CS..Hα-helixtrans-58.2-41.7-173.2-83.9-67.8000113.8L743 N746 D753 V754 Y755L743-Y751 HydrophobicContact CB-CE1 4.18Å; L743-Y751 HydrophobicContact CD2-CD1 3.51Å; L743-Y751 HydrophobicContact CD2-CE1 3.72Å; L743-Y751 WeakPolarHBondContact O-CE1 3.37Å; L743-Y751 PolarHBondContact O-OH 3.11Å; N746-Y751 VanDerWaalsContact CA-OH 3.31Å; N746-Y751 WeakPolarHBondContact CA-OH 3.45Å; N746-Y751 PolarHBondContact N-OH 3.47Å; N746-Y751 PolarHBondContact OD1-OH 2.99Å; Y751-D753 PolarHBondContact O-N 3.34Å; Y751-V754 PolarHBondContact O-N 3.03Å; Y751-Y755 HydrophobicContact CD1-CE2 4.02Å; Y751-Y755 VanDerWaalsContact O-CD2 3.27Å; Y751-Y755 WeakPolarHBondContact O-CD2 3.32Å; Y751-Y755 PolarHBondContact O-N 3.41Å
752T73.3Confident78.9Confident37 Ų3747.7 Ų47.723%0.22724%0.241CC..Hα-helixtrans-62.5-46.2-17166.40000111.7L750 R756 Q782L750-T752 VanDerWaalsContact C-N 3.33Å; L750-T752 PolarHBondContact O-N 2.99Å; T752-R756 PolarHBondContact O-N 3.29Å; T752-R756 VanDerWaalsContact O-N 3.17Å; T752-Q782 HydrophobicContact CG2-CG 4.31Å
753D77.9Confident79Confident73 Ų7348.2 Ų48.239%0.3924%0.243SC..Hα-helixtrans-69.9-34.8175.5-91.1-46.2000113.1Y751 R756 L757Y751-D753 PolarHBondContact O-N 3.34Å; D753-R756 WeakPolarHBondContact O-CB 3.42Å; D753-R756 PolarHBondContact O-N 2.89Å; D753-R756 IonicContact OD1-CZ 3.14Å; D753-R756 IonicContact OD1-NE 2.8Å; D753-R756 PolarHBondContact OD1-NE 3.4Å; D753-R756 IonicContact OD1-NH2 3.15Å; D753-R756 PolarHBondContact OD1-NH2 3Å; D753-L757 WeakPolarHBondContact O-CB 3.38Å; D753-L757 VanDerWaalsContact O-CG 3.28Å; D753-L757 WeakPolarHBondContact O-CG 3.47Å; D753-L757 PolarHBondContact O-N 2.88Å
754V85.3Confident79.4Confident1 Ų151 Ų511%0.00626%0.256CS..Hα-helixtrans-67.1-43.5179175.70000110.6I720 F739 V742 L743 L750 Y751 R756 L757 I758I720-V754 HydrophobicContact CD1-CG2 4.17Å; I720-V754 HydrophobicContact CG1-CG2 4.41Å; F739-V754 HydrophobicContact CB-CG1 4.37Å; F739-V754 VanDerWaalsContact O-CG1 3.28Å; F739-V754 WeakPolarHBondContact O-CG1 3.48Å; V742-V754 HydrophobicContact CB-CG1 4.14Å; V742-V754 HydrophobicContact CB-CG2 4.28Å; V742-V754 HydrophobicContact CG1-CB 4.37Å; V742-V754 HydrophobicContact CG1-CG1 4.09Å; V742-V754 HydrophobicContact CG1-CG2 3.47Å; V742-V754 VanDerWaalsContact CG1-CG2 3.47Å; L743-V754 HydrophobicContact CD2-CB 4.16Å; L743-V754 HydrophobicContact CD2-CG1 3.56Å; L743-V754 HydrophobicContact CG-CG1 3.92Å; L750-V754 WeakPolarHBondContact O-CG2 3.47Å; L750-V754 PolarHBondContact O-N 3.26Å; Y751-V754 PolarHBondContact O-N 3.03Å; V754-R756 VanDerWaalsContact C-N 3.32Å; V754-R756 PolarHBondContact O-N 3.46Å; V754-L757 PolarHBondContact O-N 3.15Å; V754-I758 HydrophobicContact CG1-CD1 3.89Å; V754-I758 HydrophobicContact CG1-CG1 4.46Å; V754-I758 VanDerWaalsContact O-CG1 3.27Å; V754-I758 WeakPolarHBondContact O-CG1 3.26Å; V754-I758 PolarHBondContact O-N 3.14Å
755Y87.6Confident79.7Confident6 Ų648 Ų482%0.02424%0.235CC..Hα-helixtrans-60.8-40.2171.8-84.1-72.9000112.3L743 Y751 G759 V774 E777 K781L743-Y755 HydrophobicContact CD1-CE1 4.24Å; L743-Y755 HydrophobicContact CD2-CD2 4.05Å; L743-Y755 HydrophobicContact CD2-CE2 3.65Å; Y751-Y755 HydrophobicContact CD1-CE2 4.02Å; Y751-Y755 VanDerWaalsContact O-CD2 3.27Å; Y751-Y755 WeakPolarHBondContact O-CD2 3.32Å; Y751-Y755 PolarHBondContact O-N 3.41Å; Y755-G759 PolarHBondContact O-N 3.2Å; Y755-G759 VanDerWaalsContact O-N 3.11Å; Y755-V774 HydrophobicContact CD1-CG1 3.73Å; Y755-V774 VanDerWaalsContact CD1-O 3.29Å; Y755-V774 WeakPolarHBondContact CD1-O 3.19Å; Y755-V774 HydrophobicContact CE1-CG1 4.44Å; Y755-V774 WeakPolarHBondContact O-CG1 3.5Å; Y755-E777 HydrophobicContact CD1-CB 4.29Å; Y755-E777 HydrophobicContact CE1-CB 3.57Å; Y755-K781 HydrophobicContact CE2-CD 3.79Å; Y755-K781 WeakPolarHBondContact OH-CE 3.27Å; Y755-K781 PolarHBondContact OH-NZ 3.23Å
756R86.5Confident80.2Confident71 Ų7151.6 Ų51.627%0.26826%0.26SS..Hα-helixtrans-61.1-46.7174.5-172.5179.563.983.2-1.6112T752 D753 V754 G759 L760T752-R756 PolarHBondContact O-N 3.29Å; T752-R756 VanDerWaalsContact O-N 3.17Å; D753-R756 WeakPolarHBondContact O-CB 3.42Å; D753-R756 PolarHBondContact O-N 2.89Å; D753-R756 IonicContact OD1-CZ 3.14Å; D753-R756 IonicContact OD1-NE 2.8Å; D753-R756 PolarHBondContact OD1-NE 3.4Å; D753-R756 IonicContact OD1-NH2 3.15Å; D753-R756 PolarHBondContact OD1-NH2 3Å; V754-R756 VanDerWaalsContact C-N 3.32Å; V754-R756 PolarHBondContact O-N 3.46Å; R756-G759 PolarHBondContact O-N 3.48Å; R756-L760 HydrophobicContact CG-CD1 4.25Å; R756-L760 WeakPolarHBondContact O-CG 3.5Å; R756-L760 PolarHBondContact O-N 3.48Å
757L89.5Confident81.4Confident25 Ų2548.9 Ų48.913%0.13124%0.243CC..Hα-helixtrans-65.7-44.8179.3-72.6172.7000112.4I720 L724 F739 D753 V754 G759 L760 T761I720-L757 HydrophobicContact CG2-CD1 4.29Å; L724-L757 HydrophobicContact CD2-CD1 4.23Å; L724-L757 HydrophobicContact CD2-CD2 3.75Å; F739-L757 HydrophobicContact CD1-CB 4.47Å; F739-L757 HydrophobicContact CD1-CD1 4.35Å; F739-L757 HydrophobicContact CD2-CB 4.27Å; F739-L757 HydrophobicContact CE1-CB 4.29Å; F739-L757 HydrophobicContact CE1-CD1 3.79Å; F739-L757 HydrophobicContact CE2-CB 4.09Å; F739-L757 HydrophobicContact CG-CB 4.46Å; F739-L757 HydrophobicContact CZ-CB 4.1Å; F739-L757 HydrophobicContact CZ-CD1 4.08Å; F739-L757 HydrophobicContact CZ-CG 4.49Å; D753-L757 WeakPolarHBondContact O-CB 3.38Å; D753-L757 VanDerWaalsContact O-CG 3.28Å; D753-L757 WeakPolarHBondContact O-CG 3.47Å; D753-L757 PolarHBondContact O-N 2.88Å; V754-L757 PolarHBondContact O-N 3.15Å; L757-G759 VanDerWaalsContact C-N 3.33Å; L757-G759 PolarHBondContact O-N 2.94Å; L757-L760 PolarHBondContact O-N 3.42Å; L757-T761 WeakPolarHBondContact O-CG2 3.48Å; L757-T761 PolarHBondContact O-N 3.48Å
758I89.9Confident82.5Confident2 Ų248 Ų481%0.0124%0.238CC..Hα-helixtrans-59.5-46.6176.7-64.7164000110F739 Q740 L743 V754 L760 T761 Y762 V774F739-I758 HydrophobicContact CB-CD1 4.01Å; F739-I758 HydrophobicContact CB-CG1 3.39Å; F739-I758 HydrophobicContact CD2-CG1 4.46Å; F739-I758 HydrophobicContact CG-CG1 4.3Å; Q740-I758 HydrophobicContact CG-CD1 4.23Å; L743-I758 HydrophobicContact CD1-CD1 3.72Å; L743-I758 HydrophobicContact CG-CD1 4.22Å; V754-I758 HydrophobicContact CG1-CD1 3.89Å; V754-I758 HydrophobicContact CG1-CG1 4.46Å; V754-I758 VanDerWaalsContact O-CG1 3.27Å; V754-I758 WeakPolarHBondContact O-CG1 3.26Å; V754-I758 PolarHBondContact O-N 3.14Å; I758-L760 PolarHBondContact O-N 3.08Å; I758-T761 PolarHBondContact O-N 2.83Å; I758-T761 VanDerWaalsContact O-N 3.08Å; I758-T761 PolarHBondContact O-OG1 3.27Å; I758-Y762 HydrophobicContact CG2-CD2 3.86Å; I758-Y762 HydrophobicContact CG2-CE2 3.62Å; I758-Y762 WeakPolarHBondContact O-CD2 3.5Å; I758-Y762 PolarHBondContact O-N 3.12Å; I758-V774 HydrophobicContact CB-CG1 3.77Å; I758-V774 HydrophobicContact CG2-CB 4.33Å; I758-V774 HydrophobicContact CG2-CG1 3.67Å; I758-V774 HydrophobicContact CG2-CG2 3.87Å
759G87Confident83.7Confident0 Ų044.5 Ų44.50%022%0.22CC..Hα-helixtrans-61.6-41.5178.200000112.9Y755 R756 L757 T761 Y762 I763 A771 Y775Y755-G759 PolarHBondContact O-N 3.2Å; Y755-G759 VanDerWaalsContact O-N 3.11Å; R756-G759 PolarHBondContact O-N 3.48Å; L757-G759 VanDerWaalsContact C-N 3.33Å; L757-G759 PolarHBondContact O-N 2.94Å; G759-T761 VanDerWaalsContact C-N 3.32Å; G759-T761 PolarHBondContact O-N 3.12Å; G759-Y762 PolarHBondContact O-N 3.21Å; G759-Y762 VanDerWaalsContact O-N 3.11Å; G759-I763 PolarHBondContact O-N 3.37Å; G759-A771 WeakPolarHBondContact O-CB 3.49Å; G759-Y775 VanDerWaalsContact C-OH 3.22Å
760L88.5Confident84.7Confident38 Ų3843.5 Ų43.520%0.19921%0.21CC..Hα-helixtrans-61.6-37.1172.6-71.3167000112.1R756 L757 I758 Y762 I763 Q764 Y775R756-L760 HydrophobicContact CG-CD1 4.25Å; R756-L760 WeakPolarHBondContact O-CG 3.5Å; R756-L760 PolarHBondContact O-N 3.48Å; L757-L760 PolarHBondContact O-N 3.42Å; I758-L760 PolarHBondContact O-N 3.08Å; L760-Y762 VanDerWaalsContact C-N 3.32Å; L760-Y762 PolarHBondContact O-N 3.33Å; L760-I763 HydrophobicContact CD2-CD1 4.49Å; L760-I763 PolarHBondContact O-N 3.13Å; L760-Q764 PolarHBondContact O-N 3.31Å; L760-Q764 VanDerWaalsContact O-N 3.07Å; L760-Y775 PolarHBondContact N-OH 3.08Å
761T90.2Very high85.9Confident0 Ų041.5 Ų41.50%020%0.199CC..Hα-helixtrans-64.7-35.3173.676.50000112.4Y727 A735 F739 L757 I758 G759 Q764 L765Y727-T761 HydrophobicContact CD2-CG2 3.7Å; Y727-T761 HydrophobicContact CE2-CG2 4.22Å; A735-T761 HydrophobicContact CB-CG2 4.42Å; F739-T761 HydrophobicContact CD2-CG2 3.79Å; F739-T761 HydrophobicContact CE2-CG2 3.58Å; L757-T761 WeakPolarHBondContact O-CG2 3.48Å; L757-T761 PolarHBondContact O-N 3.48Å; I758-T761 PolarHBondContact O-N 2.83Å; I758-T761 VanDerWaalsContact O-N 3.08Å; I758-T761 PolarHBondContact O-OG1 3.27Å; G759-T761 VanDerWaalsContact C-N 3.32Å; G759-T761 PolarHBondContact O-N 3.12Å; T761-Q764 PolarHBondContact O-N 2.87Å; T761-L765 WeakPolarHBondContact O-CB 3.38Å; T761-L765 WeakPolarHBondContact O-CG 3.26Å; T761-L765 PolarHBondContact O-N 3.16Å
762Y91.1Very high86.8Confident26 Ų2640.5 Ų40.510%0.10220%0.196CC..Hα-helixtrans-70.1-35.2174.6-80.3-59.6000113L736 I758 G759 L760 L765 Q767 R770 V774L736-Y762 HydrophobicContact CD1-CD1 4Å; L736-Y762 HydrophobicContact CD1-CE1 3.43Å; L736-Y762 VanDerWaalsContact CD1-CE1 3.43Å; L736-Y762 HydrophobicContact CD1-CE2 4.05Å; L736-Y762 VanDerWaalsContact CD1-CZ 3.47Å; I758-Y762 HydrophobicContact CG2-CD2 3.86Å; I758-Y762 HydrophobicContact CG2-CE2 3.62Å; I758-Y762 WeakPolarHBondContact O-CD2 3.5Å; I758-Y762 PolarHBondContact O-N 3.12Å; G759-Y762 PolarHBondContact O-N 3.21Å; G759-Y762 VanDerWaalsContact O-N 3.11Å; L760-Y762 VanDerWaalsContact C-N 3.32Å; L760-Y762 PolarHBondContact O-N 3.33Å; Y762-L765 HydrophobicContact CD1-CD1 4.37Å; Y762-L765 PolarHBondContact O-N 3.21Å; Y762-Q767 HydrophobicContact CD1-CB 4.18Å; Y762-Q767 CarbonylContact O-C 3.39Å; Y762-Q767 VanDerWaalsContact O-C 3.29Å; Y762-Q767 VanDerWaalsContact O-CA 3.29Å; Y762-Q767 WeakPolarHBondContact O-CA 3.38Å; Y762-Q767 PolarHBondContact O-N 3.02Å; Y762-R770 HydrophobicContact CD1-CB 3.44Å; Y762-R770 VanDerWaalsContact CD1-CB 3.44Å; Y762-R770 HydrophobicContact CD1-CG 4.32Å; Y762-R770 HydrophobicContact CD2-CB 3.96Å; Y762-R770 HydrophobicContact CE1-CB 3.61Å; Y762-R770 HydrophobicContact CE1-CG 4.14Å; Y762-R770 HydrophobicContact CE2-CB 4.11Å; Y762-R770 HydrophobicContact CG-CB 3.63Å; Y762-V774 HydrophobicContact CD2-CG2 4.05Å; Y762-V774 HydrophobicContact CE2-CG2 3.69Å
763I87.3Confident87.6Confident16 Ų1643.5 Ų43.58%0.08221%0.208CC..Hα-helixtrans-61.5-49.4171.3-66.6174000110.1G759 L760 L765 N766 A771 Y775 A796G759-I763 PolarHBondContact O-N 3.37Å; L760-I763 HydrophobicContact CD2-CD1 4.49Å; L760-I763 PolarHBondContact O-N 3.13Å; I763-L765 PolarHBondContact O-N 3.12Å; I763-N766 WeakPolarHBondContact O-CA 3.31Å; I763-N766 PolarHBondContact O-N 2.95Å; I763-A771 HydrophobicContact CD1-CB 4.4Å; I763-A771 HydrophobicContact CG1-CB 3.72Å; I763-Y775 HydrophobicContact CD1-CE2 4.27Å; I763-A796 HydrophobicContact CD1-CB 4.17Å
764Q87.6Confident88.2Confident87 Ų8740.7 Ų40.741%0.40719%0.193SC..Hα-helixtrans-66.6-21.8178.6-65.7-59.7-33.900114.4Y727 Y732 L760 T761 N766Y727-Q764 HydrophobicContact CE2-CB 4.17Å; Y727-Q764 HydrophobicContact CE2-CG 3.55Å; Y727-Q764 VanDerWaalsContact OH-CG 3.29Å; Y727-Q764 WeakPolarHBondContact OH-CG 3.5Å; Y732-Q764 HydrophobicContact CD1-CB 4.13Å; Y732-Q764 HydrophobicContact CD2-CB 4.17Å; Y732-Q764 HydrophobicContact CE1-CB 3.72Å; Y732-Q764 HydrophobicContact CE1-CG 4.19Å; Y732-Q764 HydrophobicContact CE2-CB 3.75Å; Y732-Q764 WeakPolarHBondContact CE2-O 3.37Å; Y732-Q764 HydrophobicContact CG-CB 4.34Å; L760-Q764 PolarHBondContact O-N 3.31Å; L760-Q764 VanDerWaalsContact O-N 3.07Å; T761-Q764 PolarHBondContact O-N 2.87Å; Q764-N766 PolarHBondContact O-N 3.34Å
765L86.9Confident88.4Confident41 Ų4140.6 Ų40.622%0.21519%0.193CC..THydrogen-bonded Turntrans-77.54169.3-81.3165.3000113.6Y732 K733 L736 T761 Y762 I763 Q767Y732-L765 HydrophobicContact CD2-CD2 4.12Å; Y732-L765 HydrophobicContact CD2-CG 4.14Å; Y732-L765 HydrophobicContact CG-CD2 4.49Å; Y732-L765 HydrophobicContact CG-CG 4.26Å; K733-L765 HydrophobicContact CG-CD2 4.43Å; L736-L765 HydrophobicContact CD1-CD1 3.93Å; T761-L765 WeakPolarHBondContact O-CB 3.38Å; T761-L765 WeakPolarHBondContact O-CG 3.26Å; T761-L765 PolarHBondContact O-N 3.16Å; Y762-L765 HydrophobicContact CD1-CD1 4.37Å; Y762-L765 PolarHBondContact O-N 3.21Å; I763-L765 PolarHBondContact O-N 3.12Å; L765-Q767 HydrophobicContact CB-CB 4.38Å; L765-Q767 HydrophobicContact CB-CG 4.29Å; L765-Q767 PolarHBondContact O-N 2.81Å
766N84Confident88.5Confident148 Ų14842.6 Ų42.679%0.79121%0.205SC*.THydrogen-bonded Turntrans54.434.4-168-65.3-26.6000112.7I763 Q764 P768I763-N766 WeakPolarHBondContact O-CA 3.31Å; I763-N766 PolarHBondContact O-N 2.95Å; Q764-N766 PolarHBondContact O-N 3.34Å; N766-P768 WeakPolarHBondContact O-CD 3.42Å
767Q87.2Confident88.5Confident68 Ų6843.8 Ų43.832%0.31821%0.214SC..  trans-119.551.3178.8-66.5177.320.400112.4Y762 L765 N769 R770 A771Y762-Q767 HydrophobicContact CD1-CB 4.18Å; Y762-Q767 CarbonylContact O-C 3.39Å; Y762-Q767 VanDerWaalsContact O-C 3.29Å; Y762-Q767 VanDerWaalsContact O-CA 3.29Å; Y762-Q767 WeakPolarHBondContact O-CA 3.38Å; Y762-Q767 PolarHBondContact O-N 3.02Å; L765-Q767 HydrophobicContact CB-CB 4.38Å; L765-Q767 HydrophobicContact CB-CG 4.29Å; L765-Q767 PolarHBondContact O-N 2.81Å; Q767-N769 PolarHBondContact O-N 2.77Å; Q767-R770 PolarHBondContact O-N 3.45Å; Q767-A771 PolarHBondContact O-N 2.68Å
768P85.4Confident88.2Confident16 Ų1642.6 Ų42.610%0.10421%0.208CC..Hα-helixtrans-57.7-24.7-177.324-34.7000113.9N766 R770 A771 I772 A796 L800N766-P768 WeakPolarHBondContact O-CD 3.42Å; P768-R770 VanDerWaalsContact C-N 3.33Å; P768-R770 PolarHBondContact O-N 2.97Å; P768-A771 WeakPolarHBondContact O-CB 3.39Å; P768-A771 PolarHBondContact O-N 2.97Å; P768-I772 WeakPolarHBondContact O-CD1 3.43Å; P768-I772 WeakPolarHBondContact O-CG1 3.41Å; P768-I772 PolarHBondContact O-N 3.24Å; P768-A796 HydrophobicContact CB-CB 4.3Å; P768-L800 HydrophobicContact CB-CD1 3.95Å; P768-L800 HydrophobicContact CB-CG 4.08Å; P768-L800 HydrophobicContact CG-CD1 3.9Å; P768-L800 HydrophobicContact CG-CD2 3.82Å; P768-L800 HydrophobicContact CG-CG 3.66Å
769N88.7Confident88Confident58 Ų5842.8 Ų42.831%0.3121%0.209SC..Hα-helixtrans-56.8-43.7171.3-67.4-66.3000112.6Q767 I772 E773Q767-N769 PolarHBondContact O-N 2.77Å; N769-I772 WeakPolarHBondContact O-CB 3.15Å; N769-I772 PolarHBondContact O-N 3.4Å; N769-E773 WeakPolarHBondContact O-CG 3.48Å; N769-E773 PolarHBondContact O-N 3.29Å; N769-E773 VanDerWaalsContact O-N 3.13Å
770R88.3Confident87.8Confident122 Ų12249 Ų4946%0.4624%0.242SC..Hα-helixtrans-75.8-28.5177.1-72.2-178.2172.4162.3-11.5112.5Y762 Q767 P768 I772 E773 V774Y762-R770 HydrophobicContact CD1-CB 3.44Å; Y762-R770 VanDerWaalsContact CD1-CB 3.44Å; Y762-R770 HydrophobicContact CD1-CG 4.32Å; Y762-R770 HydrophobicContact CD2-CB 3.96Å; Y762-R770 HydrophobicContact CE1-CB 3.61Å; Y762-R770 HydrophobicContact CE1-CG 4.14Å; Y762-R770 HydrophobicContact CE2-CB 4.11Å; Y762-R770 HydrophobicContact CG-CB 3.63Å; Q767-R770 PolarHBondContact O-N 3.45Å; P768-R770 VanDerWaalsContact C-N 3.33Å; P768-R770 PolarHBondContact O-N 2.97Å; R770-I772 VanDerWaalsContact C-N 3.33Å; R770-E773 PolarHBondContact O-N 2.78Å; R770-V774 WeakPolarHBondContact O-CG2 3.25Å; R770-V774 PolarHBondContact O-N 3.4Å
771A90.9Very high87.3Confident0 Ų053.2 Ų53.20%026%0.259CS..Hα-helixtrans-60.4-46.5169.700000110.7G759 I763 Q767 P768 V774 Y775G759-A771 WeakPolarHBondContact O-CB 3.49Å; I763-A771 HydrophobicContact CD1-CB 4.4Å; I763-A771 HydrophobicContact CG1-CB 3.72Å; Q767-A771 PolarHBondContact O-N 2.68Å; P768-A771 WeakPolarHBondContact O-CB 3.39Å; P768-A771 PolarHBondContact O-N 2.97Å; A771-V774 PolarHBondContact O-N 2.72Å; A771-Y775 HydrophobicContact CB-CD2 4.35Å; A771-Y775 HydrophobicContact CB-CE2 3.89Å; A771-Y775 WeakPolarHBondContact O-CB 3.33Å; A771-Y775 WeakPolarHBondContact O-CD2 3.23Å; A771-Y775 PolarHBondContact O-N 2.98Å
772I90.4Very high86.3Confident15 Ų1555.1 Ų55.18%0.07727%0.268CS..Hα-helixtrans-58.8-46.6175.4-72.6154.3000111.7P768 N769 R770 V774 Y775 T776 R793 A796 Y797 L800P768-I772 WeakPolarHBondContact O-CD1 3.43Å; P768-I772 WeakPolarHBondContact O-CG1 3.41Å; P768-I772 PolarHBondContact O-N 3.24Å; N769-I772 WeakPolarHBondContact O-CB 3.15Å; N769-I772 PolarHBondContact O-N 3.4Å; R770-I772 VanDerWaalsContact C-N 3.33Å; I772-V774 PolarHBondContact O-N 3.04Å; I772-Y775 PolarHBondContact O-N 2.88Å; I772-T776 WeakPolarHBondContact O-CG2 3.41Å; I772-T776 PolarHBondContact O-N 3.5Å; I772-R793 HydrophobicContact CG1-CG 4.14Å; I772-R793 HydrophobicContact CG2-CG 4.47Å; I772-A796 HydrophobicContact CD1-CB 4.15Å; I772-A796 HydrophobicContact CG1-CB 3.84Å; I772-Y797 HydrophobicContact CB-CE1 4.37Å; I772-Y797 HydrophobicContact CD1-CD1 3.39Å; I772-Y797 HydrophobicContact CD1-CE1 3.46Å; I772-Y797 VanDerWaalsContact CD1-CE1 3.46Å; I772-Y797 HydrophobicContact CD1-CG 4.14Å; I772-Y797 HydrophobicContact CG1-CD1 4.05Å; I772-Y797 HydrophobicContact CG1-CE1 3.86Å; I772-Y797 HydrophobicContact CG1-CG 4.49Å; I772-Y797 HydrophobicContact CG2-CE1 3.63Å; I772-Y797 HydrophobicContact CG2-CE2 4.48Å; I772-Y797 VanDerWaalsContact CG2-OH 3.24Å; I772-Y797 WeakPolarHBondContact CG2-OH 3.26Å; I772-L800 HydrophobicContact CD1-CD1 3.61Å
773E89.4Confident85.3Confident100 Ų10062.4 Ų62.447%0.46731%0.306SS..Hα-helixtrans-55-52.4175.8-70.1155.8-160.200110.8N769 R770 Y775 T776 E777N769-E773 WeakPolarHBondContact O-CG 3.48Å; N769-E773 PolarHBondContact O-N 3.29Å; N769-E773 VanDerWaalsContact O-N 3.13Å; R770-E773 PolarHBondContact O-N 2.78Å; E773-Y775 PolarHBondContact O-N 3.25Å; E773-T776 PolarHBondContact O-N 3.4Å; E773-T776 VanDerWaalsContact O-N 3.09Å; E773-T776 PolarHBondContact O-OG1 3.34Å; E773-E777 PolarHBondContact O-N 2.73Å
774V89.8Confident84.5Confident14 Ų1467.8 Ų67.89%0.08533%0.334CS..Hα-helixtrans-63.6-39.5177.61680000113.1Y755 I758 Y762 R770 A771 I772 T776 E777 G778Y755-V774 HydrophobicContact CD1-CG1 3.73Å; Y755-V774 VanDerWaalsContact CD1-O 3.29Å; Y755-V774 WeakPolarHBondContact CD1-O 3.19Å; Y755-V774 HydrophobicContact CE1-CG1 4.44Å; Y755-V774 WeakPolarHBondContact O-CG1 3.5Å; I758-V774 HydrophobicContact CB-CG1 3.77Å; I758-V774 HydrophobicContact CG2-CB 4.33Å; I758-V774 HydrophobicContact CG2-CG1 3.67Å; I758-V774 HydrophobicContact CG2-CG2 3.87Å; Y762-V774 HydrophobicContact CD2-CG2 4.05Å; Y762-V774 HydrophobicContact CE2-CG2 3.69Å; R770-V774 WeakPolarHBondContact O-CG2 3.25Å; R770-V774 PolarHBondContact O-N 3.4Å; A771-V774 PolarHBondContact O-N 2.72Å; I772-V774 PolarHBondContact O-N 3.04Å; V774-T776 VanDerWaalsContact C-N 3.29Å; V774-T776 PolarHBondContact O-N 3.22Å; V774-E777 PolarHBondContact O-N 3.34Å; V774-G778 PolarHBondContact O-N 3.06Å
775Y90.4Very high83.9Confident0 Ų064.5 Ų64.50%032%0.32CS..Hα-helixtrans-64.5-33.7173.9-63.9-36.9000111.7G759 L760 I763 A771 I772 E773 I779 I789 C792 R793 A796G759-Y775 VanDerWaalsContact C-OH 3.22Å; L760-Y775 PolarHBondContact N-OH 3.08Å; I763-Y775 HydrophobicContact CD1-CE2 4.27Å; A771-Y775 HydrophobicContact CB-CD2 4.35Å; A771-Y775 HydrophobicContact CB-CE2 3.89Å; A771-Y775 WeakPolarHBondContact O-CB 3.33Å; A771-Y775 WeakPolarHBondContact O-CD2 3.23Å; A771-Y775 PolarHBondContact O-N 2.98Å; I772-Y775 PolarHBondContact O-N 2.88Å; E773-Y775 PolarHBondContact O-N 3.25Å; Y775-I779 WeakPolarHBondContact O-CB 3.26Å; Y775-I779 WeakPolarHBondContact O-CD1 3.49Å; Y775-I779 WeakPolarHBondContact O-CG1 3.06Å; Y775-I779 PolarHBondContact O-N 3.41Å; Y775-I789 HydrophobicContact CD1-CG2 3.83Å; Y775-I789 HydrophobicContact CG-CG2 4.12Å; Y775-C792 HydrophobicContact CE1-CB 4.08Å; Y775-C792 HydrophobicContact CE2-CB 3.96Å; Y775-C792 WeakPolarHBondContact CE2-O 3.49Å; Y775-R793 HydrophobicContact CD2-CB 3.69Å; Y775-R793 HydrophobicContact CD2-CG 4Å; Y775-R793 HydrophobicContact CG-CB 4.1Å; Y775-R793 HydrophobicContact CG-CG 4.47Å; Y775-A796 HydrophobicContact CE2-CB 4.31Å
776T89.5Confident83.5Confident47 Ų4764.8 Ų64.829%0.28832%0.322SS..Hα-helixtrans-66.5-42.6172.363.10000112.3I772 E773 V774 I779 N780 R793I772-T776 WeakPolarHBondContact O-CG2 3.41Å; I772-T776 PolarHBondContact O-N 3.5Å; E773-T776 PolarHBondContact O-N 3.4Å; E773-T776 VanDerWaalsContact O-N 3.09Å; E773-T776 PolarHBondContact O-OG1 3.34Å; V774-T776 VanDerWaalsContact C-N 3.29Å; V774-T776 PolarHBondContact O-N 3.22Å; T776-I779 PolarHBondContact O-N 2.96Å; T776-N780 WeakPolarHBondContact O-CB 3.5Å; T776-N780 PolarHBondContact O-N 3.09Å; T776-N780 PolarHBondContact O-ND2 2.82Å; T776-N780 PolarHBondContact O-OD1 2.78Å; T776-R793 VanDerWaalsContact CG2-NH1 3.26Å
777E85.8Confident83.6Confident97 Ų9760 Ų6045%0.45330%0.296SS..Hα-helixtrans-61.4-45.9174.1-68.9-174.8-174.100112.4Y755 E773 V774 I779 N780 K781Y755-E777 HydrophobicContact CD1-CB 4.29Å; Y755-E777 HydrophobicContact CE1-CB 3.57Å; E773-E777 PolarHBondContact O-N 2.73Å; V774-E777 PolarHBondContact O-N 3.34Å; E777-I779 VanDerWaalsContact C-N 3.3Å; E777-I779 PolarHBondContact O-N 3.41Å; E777-N780 PolarHBondContact O-N 3.43Å; E777-K781 PolarHBondContact O-N 2.99Å; E777-K781 VanDerWaalsContact O-N 3.16Å
778G84.4Confident83.4Confident0 Ų060.8 Ų60.80%030%0.302CS..Hα-helixtrans-62-37179.100000112.9V774 Q782V774-G778 PolarHBondContact O-N 3.06Å; G778-Q782 PolarHBondContact O-NE2 2.84Å
779I84.6Confident83.5Confident5 Ų560.1 Ų60.13%0.02630%0.298CS..Hα-helixtrans-68.5-43.7173.2-81.3161.3000111.6Y775 T776 E777 K781 Q782 P785 I789 L790 R793Y775-I779 WeakPolarHBondContact O-CB 3.26Å; Y775-I779 WeakPolarHBondContact O-CD1 3.49Å; Y775-I779 WeakPolarHBondContact O-CG1 3.06Å; Y775-I779 PolarHBondContact O-N 3.41Å; T776-I779 PolarHBondContact O-N 2.96Å; E777-I779 VanDerWaalsContact C-N 3.3Å; E777-I779 PolarHBondContact O-N 3.41Å; I779-K781 VanDerWaalsContact C-N 3.27Å; I779-K781 PolarHBondContact O-N 3.35Å; I779-Q782 PolarHBondContact O-N 3.44Å; I779-P785 HydrophobicContact CB-CB 4.48Å; I779-P785 HydrophobicContact CG1-CB 4.16Å; I779-P785 HydrophobicContact CG2-CB 4.04Å; I779-I789 HydrophobicContact CD1-CB 4.42Å; I779-I789 HydrophobicContact CD1-CG2 3.85Å; I779-I789 HydrophobicContact CG1-CB 4.25Å; I779-I789 HydrophobicContact CG1-CG2 3.81Å; I779-L790 HydrophobicContact CD1-CD2 3.52Å; I779-L790 HydrophobicContact CD1-CG 3.79Å; I779-L790 HydrophobicContact CG1-CD2 4.5Å; I779-L790 HydrophobicContact CG1-CG 4.47Å; I779-R793 VanDerWaalsContact CD1-NH1 3.27Å
780N83.4Confident83.5Confident130 Ų13057.3 Ų57.370%0.69528%0.283SS*.Hα-helixtrans-70.2-19.9-176-68.6-4.9000113.8T776 E777T776-N780 WeakPolarHBondContact O-CB 3.5Å; T776-N780 PolarHBondContact O-N 3.09Å; T776-N780 PolarHBondContact O-ND2 2.82Å; T776-N780 PolarHBondContact O-OD1 2.78Å; E777-N780 PolarHBondContact O-N 3.43Å
781K77.4Confident83.5Confident127 Ų12753.2 Ų53.255%0.55227%0.27SS*.THydrogen-bonded Turntrans-82.2-6.7175.1-80.9-176171.7179.40114.7Y755 E777 I779Y755-K781 HydrophobicContact CE2-CD 3.79Å; Y755-K781 WeakPolarHBondContact OH-CE 3.27Å; Y755-K781 PolarHBondContact OH-NZ 3.23Å; E777-K781 PolarHBondContact O-N 2.99Å; E777-K781 VanDerWaalsContact O-N 3.16Å; I779-K781 VanDerWaalsContact C-N 3.27Å; I779-K781 PolarHBondContact O-N 3.35Å
782Q69.4Low83.3Confident40 Ų4054.1 Ų54.119%0.18728%0.276CS..  trans-112.8133.9-175.8-63.6167.245.300110.2T752 G778 I779 I784T752-Q782 HydrophobicContact CG2-CG 4.31Å; G778-Q782 PolarHBondContact O-NE2 2.84Å; I779-Q782 PolarHBondContact O-N 3.44Å; Q782-I784 VanDerWaalsContact C-N 3.28Å; Q782-I784 WeakPolarHBondContact CB-O 3.4Å; Q782-I784 PolarHBondContact O-N 2.68Å; Q782-I784 PolarHBondContact OE1-O 3.36Å
783I70Confident83.4Confident179 Ų17954 Ų5492%0.91827%0.274SS*.SBendtrans-62.8-40.2173.8-57.9174.1000110
784I71.4Confident83.4Confident130 Ų13049.2 Ų49.267%0.66725%0.252SS*.SBendtrans-116114.8173-55.8175.2000107.4Q782 N786 L816Q782-I784 VanDerWaalsContact C-N 3.28Å; Q782-I784 WeakPolarHBondContact CB-O 3.4Å; Q782-I784 PolarHBondContact O-N 2.68Å; Q782-I784 PolarHBondContact OE1-O 3.36Å; I784-N786 PolarHBondContact O-N 3.08Å; I784-L816 HydrophobicContact CG2-CD2 4.36Å
785P73.8Confident83.2Confident17 Ų1752.7 Ų52.711%0.1127%0.268CS..  trans-74122.6-173.929.3-35.5000111.9I779 I787 L790 L816I779-P785 HydrophobicContact CB-CB 4.48Å; I779-P785 HydrophobicContact CG1-CB 4.16Å; I779-P785 HydrophobicContact CG2-CB 4.04Å; P785-I787 PolarHBondContact O-N 3.37Å; P785-L790 HydrophobicContact CB-CD1 4.32Å; P785-L790 HydrophobicContact CG-CD1 4.28Å; P785-L816 HydrophobicContact CG-CD1 3.82Å; P785-L816 HydrophobicContact CG-CD2 4.23Å
786N80.2Confident83.2Confident48 Ų4852.7 Ų52.726%0.25727%0.268SS..  trans-56.2123.1178.2-176.1-33.4000112.2I784 N788 I789 L790I784-N786 PolarHBondContact O-N 3.08Å; N786-N788 PolarHBondContact O-N 3.03Å; N786-N788 WeakPolarHBondContact OD1-CB 3.4Å; N786-N788 PolarHBondContact OD1-N 3.37Å; N786-I789 HydrophobicContact CB-CD1 4.2Å; N786-I789 HydrophobicContact CB-CG1 4.24Å; N786-I789 PolarHBondContact O-N 2.98Å; N786-L790 PolarHBondContact O-N 3.21Å
787I84.6Confident83.2Confident47 Ų4751.8 Ų51.824%0.24126%0.259CS..Hα-helixtrans-50.6-41-179.3-68.4164.9000111.9P785 I789 L790 L791 V813 L816P785-I787 PolarHBondContact O-N 3.37Å; I787-I789 VanDerWaalsContact C-N 3.26Å; I787-I789 PolarHBondContact O-N 3.33Å; I787-L790 PolarHBondContact O-N 3.01Å; I787-L790 VanDerWaalsContact O-N 3.16Å; I787-L791 HydrophobicContact CG2-CD1 3.79Å; I787-L791 HydrophobicContact CG2-CG 4.14Å; I787-L791 WeakPolarHBondContact O-CG 3.44Å; I787-L791 PolarHBondContact O-N 3.05Å; I787-V813 HydrophobicContact CG2-CG1 3.82Å; I787-V813 HydrophobicContact CG2-CG2 4.37Å; I787-L816 HydrophobicContact CG1-CB 4.37Å
788N84.6Confident83.1Confident85 Ų8550.4 Ų50.446%0.45525%0.25SS..Hα-helixtrans-63.1-31.1-178.9-65-27.3000112.7N786 C792N786-N788 PolarHBondContact O-N 3.03Å; N786-N788 WeakPolarHBondContact OD1-CB 3.4Å; N786-N788 PolarHBondContact OD1-N 3.37Å; N788-C792 WeakPolarHBondContact O-CB 3.46Å; N788-C792 PolarHBondContact O-N 2.94Å; N788-C792 VanDerWaalsContact O-N 3.08Å; N788-C792 PolarHBondContact O-SG 3.32Å; N788-C792 VanDerWaalsContact O-SG 3.34Å
789I86.4Confident83.1Confident1 Ų155.6 Ų55.61%0.00528%0.275CS..Hα-helixtrans-75.7-38177.9-55.6179.6000110.3Y775 I779 N786 I787 R793Y775-I789 HydrophobicContact CD1-CG2 3.83Å; Y775-I789 HydrophobicContact CG-CG2 4.12Å; I779-I789 HydrophobicContact CD1-CB 4.42Å; I779-I789 HydrophobicContact CD1-CG2 3.85Å; I779-I789 HydrophobicContact CG1-CB 4.25Å; I779-I789 HydrophobicContact CG1-CG2 3.81Å; N786-I789 HydrophobicContact CB-CD1 4.2Å; N786-I789 HydrophobicContact CB-CG1 4.24Å; N786-I789 PolarHBondContact O-N 2.98Å; I787-I789 VanDerWaalsContact C-N 3.26Å; I787-I789 PolarHBondContact O-N 3.33Å; I789-R793 VanDerWaalsContact O-CB 3.32Å; I789-R793 WeakPolarHBondContact O-CB 3.26Å; I789-R793 PolarHBondContact O-N 3.35Å
790L88.9Confident83Confident0 Ų057.7 Ų57.70%029%0.286CS..Hα-helixtrans-66.2-42.6173.9-74.4165.1000111.7I779 P785 N786 I787 R793 S794 R812 V813 L816I779-L790 HydrophobicContact CD1-CD2 3.52Å; I779-L790 HydrophobicContact CD1-CG 3.79Å; I779-L790 HydrophobicContact CG1-CD2 4.5Å; I779-L790 HydrophobicContact CG1-CG 4.47Å; P785-L790 HydrophobicContact CB-CD1 4.32Å; P785-L790 HydrophobicContact CG-CD1 4.28Å; N786-L790 PolarHBondContact O-N 3.21Å; I787-L790 PolarHBondContact O-N 3.01Å; I787-L790 VanDerWaalsContact O-N 3.16Å; L790-R793 PolarHBondContact O-N 2.85Å; L790-S794 PolarHBondContact O-N 3.07Å; L790-R812 HydrophobicContact CD1-CB 4.12Å; L790-R812 HydrophobicContact CD2-CB 4.31Å; L790-V813 HydrophobicContact CB-CG2 3.49Å; L790-V813 VanDerWaalsContact CB-CG2 3.49Å; L790-V813 HydrophobicContact CD1-CG2 4.17Å; L790-V813 HydrophobicContact CG-CG2 4.45Å; L790-L816 HydrophobicContact CD1-CD1 3.34Å
791L88.1Confident82.8Confident36 Ų3657 Ų5719%0.18828%0.281CS..Hα-helixtrans-59.8-54.6175-72.8174000111.2I787 R793 S794 E795 V813 L826I787-L791 HydrophobicContact CG2-CD1 3.79Å; I787-L791 HydrophobicContact CG2-CG 4.14Å; I787-L791 WeakPolarHBondContact O-CG 3.44Å; I787-L791 PolarHBondContact O-N 3.05Å; L791-R793 PolarHBondContact O-N 3.01Å; L791-S794 WeakPolarHBondContact O-CA 3.42Å; L791-S794 WeakPolarHBondContact O-CB 3.3Å; L791-S794 PolarHBondContact O-N 3.29Å; L791-S794 PolarHBondContact O-OG 3.35Å; L791-E795 WeakPolarHBondContact O-CG 3.26Å; L791-E795 PolarHBondContact O-N 3.33Å; L791-V813 HydrophobicContact CD2-CG1 4.22Å; L791-V813 HydrophobicContact CD2-CG2 4.15Å; L791-V813 HydrophobicContact CG-CG1 4.5Å; L791-V813 HydrophobicContact CG-CG2 4.17Å; L791-L826 HydrophobicContact CD2-CD2 3.86Å
792C88Confident83.1Confident18 Ų1853.7 Ų53.712%0.12227%0.268CS..Hα-helixtrans-61.7-28.9177.8-67.60000113.5Y775 N788 A796Y775-C792 HydrophobicContact CE1-CB 4.08Å; Y775-C792 HydrophobicContact CE2-CB 3.96Å; Y775-C792 WeakPolarHBondContact CE2-O 3.49Å; N788-C792 WeakPolarHBondContact O-CB 3.46Å; N788-C792 PolarHBondContact O-N 2.94Å; N788-C792 VanDerWaalsContact O-N 3.08Å; N788-C792 PolarHBondContact O-SG 3.32Å; N788-C792 VanDerWaalsContact O-SG 3.34Å; C792-A796 WeakPolarHBondContact O-CB 3.22Å; C792-A796 PolarHBondContact O-N 3.47Å; C792-A796 VanDerWaalsContact O-N 3.07Å
793R91.2Very high83.7Confident12 Ų1253.4 Ų53.45%0.04527%0.266CS..Hα-helixtrans-72.5-38.7172.4-164.8173.371.6-1672.1112.2I772 Y775 T776 I779 I789 L790 L791 E795 A796 Y797 D809I772-R793 HydrophobicContact CG1-CG 4.14Å; I772-R793 HydrophobicContact CG2-CG 4.47Å; Y775-R793 HydrophobicContact CD2-CB 3.69Å; Y775-R793 HydrophobicContact CD2-CG 4Å; Y775-R793 HydrophobicContact CG-CB 4.1Å; Y775-R793 HydrophobicContact CG-CG 4.47Å; T776-R793 VanDerWaalsContact CG2-NH1 3.26Å; I779-R793 VanDerWaalsContact CD1-NH1 3.27Å; I789-R793 VanDerWaalsContact O-CB 3.32Å; I789-R793 WeakPolarHBondContact O-CB 3.26Å; I789-R793 PolarHBondContact O-N 3.35Å; L790-R793 PolarHBondContact O-N 2.85Å; L791-R793 PolarHBondContact O-N 3.01Å; R793-E795 VanDerWaalsContact C-N 3.33Å; R793-E795 PolarHBondContact O-N 3.46Å; R793-A796 PolarHBondContact O-N 2.96Å; R793-Y797 HydrophobicContact CG-CD2 4.08Å; R793-Y797 HydrophobicContact CG-CE2 3.71Å; R793-Y797 VanDerWaalsContact O-CD2 3.29Å; R793-Y797 WeakPolarHBondContact O-CD2 3.44Å; R793-Y797 PolarHBondContact O-N 3.35Å; R793-D809 WeakPolarHBondContact CB-OD2 3.25Å; R793-D809 VanDerWaalsContact CG-OD2 3.29Å; R793-D809 WeakPolarHBondContact CG-OD2 3.15Å; R793-D809 IonicContact CZ-OD1 2.68Å; R793-D809 IonicContact CZ-OD2 3.66Å; R793-D809 IonicContact NE-OD1 3.35Å; R793-D809 PolarHBondContact NE-OD1 3.35Å; R793-D809 IonicContact NE-OD2 2.76Å; R793-D809 PolarHBondContact NE-OD2 3.14Å; R793-D809 IonicContact NH2-OD1 3.42Å; R793-D809 PolarHBondContact NH2-OD1 3.01Å; R793-D809 IonicContact NH2-OD2 3.63Å
794S89.1Confident84.4Confident0 Ų050.5 Ų50.50%025%0.253CS..Hα-helixtrans-61.2-41.1172.882.80000111.8L790 L791 Y797 Y798 A806L790-S794 PolarHBondContact O-N 3.07Å; L791-S794 WeakPolarHBondContact O-CA 3.42Å; L791-S794 WeakPolarHBondContact O-CB 3.3Å; L791-S794 PolarHBondContact O-N 3.29Å; L791-S794 PolarHBondContact O-OG 3.35Å; S794-Y797 PolarHBondContact O-N 2.89Å; S794-Y798 VanDerWaalsContact O-CB 3.29Å; S794-Y798 WeakPolarHBondContact O-CB 3.25Å; S794-Y798 PolarHBondContact O-N 3.43Å; S794-A806 WeakPolarHBondContact O-CB 3.4Å
795E86.8Confident85.1Confident88 Ų8849.1 Ų49.141%0.41124%0.242SC..Hα-helixtrans-64-42.9174.9-68.5176.3155.300111.9L791 R793 Y798 Q799L791-E795 WeakPolarHBondContact O-CG 3.26Å; L791-E795 PolarHBondContact O-N 3.33Å; R793-E795 VanDerWaalsContact C-N 3.33Å; R793-E795 PolarHBondContact O-N 3.46Å; E795-Y798 PolarHBondContact O-N 2.78Å; E795-Q799 WeakPolarHBondContact O-CG 3.46Å; E795-Q799 PolarHBondContact O-N 3.42Å
796A89.1Confident85.8Confident0 Ų048.3 Ų48.30%024%0.237CC..Hα-helixtrans-64.3-38.9176.400000112.3I763 P768 I772 Y775 C792 R793 L800I763-A796 HydrophobicContact CD1-CB 4.17Å; P768-A796 HydrophobicContact CB-CB 4.3Å; I772-A796 HydrophobicContact CD1-CB 4.15Å; I772-A796 HydrophobicContact CG1-CB 3.84Å; Y775-A796 HydrophobicContact CE2-CB 4.31Å; C792-A796 WeakPolarHBondContact O-CB 3.22Å; C792-A796 PolarHBondContact O-N 3.47Å; C792-A796 VanDerWaalsContact O-N 3.07Å; R793-A796 PolarHBondContact O-N 2.96Å; A796-L800 PolarHBondContact O-N 2.67Å
797Y90.1Very high86.1Confident28 Ų2846.8 Ų46.811%0.1123%0.228CC..Hα-helixtrans-66.2-40.3171.3-74.6-49.6000112.2I772 R793 S794 L800 N801 Q802 K805 D809I772-Y797 HydrophobicContact CB-CE1 4.37Å; I772-Y797 HydrophobicContact CD1-CD1 3.39Å; I772-Y797 HydrophobicContact CD1-CE1 3.46Å; I772-Y797 VanDerWaalsContact CD1-CE1 3.46Å; I772-Y797 HydrophobicContact CD1-CG 4.14Å; I772-Y797 HydrophobicContact CG1-CD1 4.05Å; I772-Y797 HydrophobicContact CG1-CE1 3.86Å; I772-Y797 HydrophobicContact CG1-CG 4.49Å; I772-Y797 HydrophobicContact CG2-CE1 3.63Å; I772-Y797 HydrophobicContact CG2-CE2 4.48Å; I772-Y797 VanDerWaalsContact CG2-OH 3.24Å; I772-Y797 WeakPolarHBondContact CG2-OH 3.26Å; R793-Y797 HydrophobicContact CG-CD2 4.08Å; R793-Y797 HydrophobicContact CG-CE2 3.71Å; R793-Y797 VanDerWaalsContact O-CD2 3.29Å; R793-Y797 WeakPolarHBondContact O-CD2 3.44Å; R793-Y797 PolarHBondContact O-N 3.35Å; S794-Y797 PolarHBondContact O-N 2.89Å; Y797-L800 CarbonylContact O-C 3.57Å; Y797-L800 PolarHBondContact O-N 3.32Å; Y797-N801 PolarHBondContact O-N 3.44Å; Y797-Q802 HydrophobicContact CD1-CB 4.15Å; Y797-Q802 PolarHBondContact O-N 3.17Å; Y797-K805 HydrophobicContact CD1-CB 3.74Å; Y797-K805 HydrophobicContact CD1-CD 3.77Å; Y797-K805 HydrophobicContact CD1-CG 4.42Å; Y797-K805 HydrophobicContact CD2-CB 3.58Å; Y797-K805 HydrophobicContact CE1-CB 3.88Å; Y797-K805 HydrophobicContact CE1-CD 3.35Å; Y797-K805 HydrophobicContact CE1-CG 4.28Å; Y797-K805 HydrophobicContact CE2-CB 3.69Å; Y797-K805 HydrophobicContact CE2-CD 4.43Å; Y797-K805 HydrophobicContact CG-CB 3.62Å; Y797-K805 HydrophobicContact CG-CD 4.5Å; Y797-D809 WeakPolarHBondContact CD2-OD2 3.47Å; Y797-D809 VanDerWaalsContact CE2-OD2 3.24Å; Y797-D809 WeakPolarHBondContact CE2-OD2 3.38Å
798Y84.5Confident86.3Confident67 Ų6750 Ų5026%0.26324%0.241SC..Hα-helixtrans-65.2-42178.2-180-94.5000112.3S794 E795 L800 N801 F803 Y830 K833S794-Y798 VanDerWaalsContact O-CB 3.29Å; S794-Y798 WeakPolarHBondContact O-CB 3.25Å; S794-Y798 PolarHBondContact O-N 3.43Å; E795-Y798 PolarHBondContact O-N 2.78Å; Y798-L800 VanDerWaalsContact C-N 3.26Å; Y798-L800 PolarHBondContact O-N 2.83Å; Y798-N801 PolarHBondContact O-N 3.13Å; Y798-F803 AromaticContact CD2-CD1 3.92Å; Y798-F803 HydrophobicContact CD2-CD1 3.92Å; Y798-F803 AromaticContact CD2-CE1 3.92Å; Y798-F803 HydrophobicContact CD2-CE1 3.92Å; Y798-F803 HydrophobicContact CE2-CD1 4.46Å; Y798-F803 HydrophobicContact CE2-CE1 4.24Å; Y798-F803 HydrophobicContact CG-CE1 4.47Å; Y798-Y830 AromaticContact CD2-CD1 3.77Å; Y798-Y830 HydrophobicContact CD2-CD1 3.77Å; Y798-Y830 AromaticContact CD2-CD2 3.86Å; Y798-Y830 HydrophobicContact CD2-CD2 3.86Å; Y798-Y830 AromaticContact CD2-CE1 3.62Å; Y798-Y830 HydrophobicContact CD2-CE1 3.62Å; Y798-Y830 AromaticContact CD2-CE2 3.72Å; Y798-Y830 HydrophobicContact CD2-CE2 3.72Å; Y798-Y830 AromaticContact CD2-CG 3.9Å; Y798-Y830 HydrophobicContact CD2-CG 3.9Å; Y798-Y830 AromaticContact CD2-CZ 3.6Å; Y798-Y830 AromaticContact CE2-CD1 3.61Å; Y798-Y830 HydrophobicContact CE2-CD1 3.61Å; Y798-Y830 AromaticContact CE2-CE1 3.61Å; Y798-Y830 HydrophobicContact CE2-CE1 3.61Å; Y798-Y830 HydrophobicContact CE2-CG 4.09Å; Y798-Y830 HydrophobicContact CG-CE1 4.18Å; Y798-Y830 HydrophobicContact CG-CE2 4.05Å; Y798-Y830 AromaticContact CG-CZ 3.81Å; Y798-K833 HydrophobicContact CE2-CD 3.74Å; Y798-K833 VanDerWaalsContact CZ-NZ 3.28Å; Y798-K833 WeakPolarHBondContact OH-CE 3.06Å; Y798-K833 PolarHBondContact OH-NZ 3.11Å
799Q82.9Confident86.5Confident110 Ų11046.1 Ų46.151%0.51422%0.22SC..Hα-helixtrans-61.6-33171.8-72.4179.11100112.8E795 N801E795-Q799 WeakPolarHBondContact O-CG 3.46Å; E795-Q799 PolarHBondContact O-N 3.42Å; Q799-N801 PolarHBondContact O-N 2.98Å
800L83.2Confident86.6Confident49 Ų4946 Ų4626%0.25722%0.22SC..THydrogen-bonded Turntrans-80.94.7174.8-80.6170.1000114.1P768 I772 A796 Y797 Y798 Q802P768-L800 HydrophobicContact CB-CD1 3.95Å; P768-L800 HydrophobicContact CB-CG 4.08Å; P768-L800 HydrophobicContact CG-CD1 3.9Å; P768-L800 HydrophobicContact CG-CD2 3.82Å; P768-L800 HydrophobicContact CG-CG 3.66Å; I772-L800 HydrophobicContact CD1-CD1 3.61Å; A796-L800 PolarHBondContact O-N 2.67Å; Y797-L800 CarbonylContact O-C 3.57Å; Y797-L800 PolarHBondContact O-N 3.32Å; Y798-L800 VanDerWaalsContact C-N 3.26Å; Y798-L800 PolarHBondContact O-N 2.83Å; L800-Q802 HydrophobicContact CB-CG 4.09Å; L800-Q802 PolarHBondContact O-N 3.15Å; L800-Q802 VanDerWaalsContact O-N 3.14Å
801N80.3Confident86.6Confident114 Ų11450.5 Ų50.561%0.6124%0.24SC*.THydrogen-bonded Turntrans55.419.3-169.7-56.4-59.9000114.1Y797 Y798 Q799 F803Y797-N801 PolarHBondContact O-N 3.44Å; Y798-N801 PolarHBondContact O-N 3.13Å; Q799-N801 PolarHBondContact O-N 2.98Å; N801-F803 HydrophobicContact CB-CE2 3.86Å; N801-F803 HydrophobicContact CB-CZ 3.88Å; N801-F803 WeakPolarHBondContact O-CD2 3.18Å; N801-F803 PolarHBondContact O-N 3.04Å; N801-F803 WeakPolarHBondContact OD1-CZ 3.32Å
802Q83.7Confident86.6Confident59 Ų5952.8 Ų52.828%0.27625%0.246SC..  trans-84.952.7176.6-66.9-176.538.200110.6Y797 L800 N804 K805 A806Y797-Q802 HydrophobicContact CD1-CB 4.15Å; Y797-Q802 PolarHBondContact O-N 3.17Å; L800-Q802 HydrophobicContact CB-CG 4.09Å; L800-Q802 PolarHBondContact O-N 3.15Å; L800-Q802 VanDerWaalsContact O-N 3.14Å; Q802-N804 VanDerWaalsContact C-N 3.26Å; Q802-N804 PolarHBondContact O-N 2.85Å; Q802-N804 VanDerWaalsContact O-N 3.12Å; Q802-K805 PolarHBondContact O-N 3.48Å; Q802-A806 PolarHBondContact O-N 3.42Å
803F81.3Confident86.6Confident33 Ų3351.9 Ų51.915%0.14524%0.241CC..Hα-helixtrans-51.7-40.7-169.3-55.8-62.3000113.2Y798 N801 K805 A806 I807 K833 L834Y798-F803 AromaticContact CD2-CD1 3.92Å; Y798-F803 HydrophobicContact CD2-CD1 3.92Å; Y798-F803 AromaticContact CD2-CE1 3.92Å; Y798-F803 HydrophobicContact CD2-CE1 3.92Å; Y798-F803 HydrophobicContact CE2-CD1 4.46Å; Y798-F803 HydrophobicContact CE2-CE1 4.24Å; Y798-F803 HydrophobicContact CG-CE1 4.47Å; N801-F803 HydrophobicContact CB-CE2 3.86Å; N801-F803 HydrophobicContact CB-CZ 3.88Å; N801-F803 WeakPolarHBondContact O-CD2 3.18Å; N801-F803 PolarHBondContact O-N 3.04Å; N801-F803 WeakPolarHBondContact OD1-CZ 3.32Å; F803-K805 PolarHBondContact O-N 3.11Å; F803-A806 WeakPolarHBondContact O-CB 3.32Å; F803-A806 PolarHBondContact O-N 3.46Å; F803-A806 VanDerWaalsContact O-N 3.09Å; F803-I807 HydrophobicContact CB-CD1 4.44Å; F803-I807 WeakPolarHBondContact O-CB 3.38Å; F803-I807 WeakPolarHBondContact O-CD1 3.34Å; F803-I807 VanDerWaalsContact O-CG1 3.26Å; F803-I807 WeakPolarHBondContact O-CG1 3.39Å; F803-I807 PolarHBondContact O-N 3.34Å; F803-K833 HydrophobicContact CE1-CB 4.43Å; F803-K833 HydrophobicContact CE1-CD 3.83Å; F803-K833 HydrophobicContact CZ-CD 4.15Å; F803-L834 HydrophobicContact CB-CD1 4.2Å; F803-L834 HydrophobicContact CB-CD2 3.87Å; F803-L834 HydrophobicContact CB-CG 3.94Å; F803-L834 HydrophobicContact CD2-CD2 3.93Å; F803-L834 HydrophobicContact CG-CD2 4.27Å
804N84.2Confident86.4Confident118 Ų11852.3 Ų52.363%0.63124%0.244SC*.Hα-helixtrans-55.9-35.6178.8-59.513.8000113.3Q802 F808 L834Q802-N804 VanDerWaalsContact C-N 3.26Å; Q802-N804 PolarHBondContact O-N 2.85Å; Q802-N804 VanDerWaalsContact O-N 3.12Å; N804-F808 PolarHBondContact O-N 2.92Å; N804-L834 WeakPolarHBondContact OD1-CD1 3.48Å
805K87Confident86.2Confident102 Ų10260 Ų6044%0.44328%0.279SS..Hα-helixtrans-81.6-35.1177.8-60.8-178.3-172.7167.70112Y797 Q802 F803 I807 F808 D809Y797-K805 HydrophobicContact CD1-CB 3.74Å; Y797-K805 HydrophobicContact CD1-CD 3.77Å; Y797-K805 HydrophobicContact CD1-CG 4.42Å; Y797-K805 HydrophobicContact CD2-CB 3.58Å; Y797-K805 HydrophobicContact CE1-CB 3.88Å; Y797-K805 HydrophobicContact CE1-CD 3.35Å; Y797-K805 HydrophobicContact CE1-CG 4.28Å; Y797-K805 HydrophobicContact CE2-CB 3.69Å; Y797-K805 HydrophobicContact CE2-CD 4.43Å; Y797-K805 HydrophobicContact CG-CB 3.62Å; Y797-K805 HydrophobicContact CG-CD 4.5Å; Q802-K805 PolarHBondContact O-N 3.48Å; F803-K805 PolarHBondContact O-N 3.11Å; K805-I807 VanDerWaalsContact C-N 3.31Å; K805-I807 PolarHBondContact O-N 3.49Å; K805-F808 PolarHBondContact O-N 3.09Å; K805-D809 PolarHBondContact O-N 3.33Å
806A88.5Confident86.2Confident0 Ų058.8 Ų58.80%028%0.275CS..Hα-helixtrans-61.3-42.3173.400000111.6S794 Q802 F803 D809 I810 Y830S794-A806 WeakPolarHBondContact O-CB 3.4Å; Q802-A806 PolarHBondContact O-N 3.42Å; F803-A806 WeakPolarHBondContact O-CB 3.32Å; F803-A806 PolarHBondContact O-N 3.46Å; F803-A806 VanDerWaalsContact O-N 3.09Å; A806-D809 PolarHBondContact O-N 3.18Å; A806-I810 WeakPolarHBondContact O-CG1 3.28Å; A806-I810 PolarHBondContact O-N 3.24Å; A806-I810 VanDerWaalsContact O-N 3.1Å; A806-Y830 HydrophobicContact CB-CD2 3.63Å; A806-Y830 HydrophobicContact CB-CE2 3.69Å
807I86.1Confident85.9Confident16 Ų1659.4 Ų59.48%0.08228%0.279CS..Hα-helixtrans-60.7-46.3173.5-75.6164.8000111F803 K805 D809 I810 Q811 F827 L831 L834F803-I807 HydrophobicContact CB-CD1 4.44Å; F803-I807 WeakPolarHBondContact O-CB 3.38Å; F803-I807 WeakPolarHBondContact O-CD1 3.34Å; F803-I807 VanDerWaalsContact O-CG1 3.26Å; F803-I807 WeakPolarHBondContact O-CG1 3.39Å; F803-I807 PolarHBondContact O-N 3.34Å; K805-I807 VanDerWaalsContact C-N 3.31Å; K805-I807 PolarHBondContact O-N 3.49Å; I807-D809 PolarHBondContact O-N 2.97Å; I807-I810 PolarHBondContact O-N 2.94Å; I807-Q811 WeakPolarHBondContact O-CG 3.27Å; I807-Q811 PolarHBondContact O-N 2.98Å; I807-F827 HydrophobicContact CB-CE2 4.35Å; I807-F827 HydrophobicContact CG2-CE2 3.63Å; I807-F827 HydrophobicContact CG2-CZ 4.33Å; I807-L831 HydrophobicContact CD1-CD2 3.98Å; I807-L831 HydrophobicContact CD1-CG 4.48Å; I807-L831 HydrophobicContact CG1-CD2 4.43Å; I807-L831 HydrophobicContact CG2-CD2 4.22Å; I807-L834 HydrophobicContact CD1-CD1 3.39Å; I807-L834 HydrophobicContact CD1-CG 4.18Å
808F87.9Confident85.5Confident115 Ų11560.6 Ų60.650%0.50429%0.291SS..Hα-helixtrans-61.5-39.7176.3-179.4-100.2000113.1N804 K805 Q811 R812N804-F808 PolarHBondContact O-N 2.92Å; K805-F808 PolarHBondContact O-N 3.09Å; F808-Q811 PolarHBondContact O-N 3.43Å; F808-R812 HydrophobicContact CE1-CG 4.49Å; F808-R812 PolarHBondContact O-N 2.99Å; F808-R812 VanDerWaalsContact O-N 3.14Å
809D89.5Confident85.2Confident2 Ų265.1 Ų65.11%0.01131%0.314CS..Hα-helixtrans-66.8-38.9176.2-79.4-10.5000112.3R793 Y797 K805 A806 I807 R812 V813R793-D809 WeakPolarHBondContact CB-OD2 3.25Å; R793-D809 VanDerWaalsContact CG-OD2 3.29Å; R793-D809 WeakPolarHBondContact CG-OD2 3.15Å; R793-D809 IonicContact CZ-OD1 2.68Å; R793-D809 IonicContact CZ-OD2 3.66Å; R793-D809 IonicContact NE-OD1 3.35Å; R793-D809 PolarHBondContact NE-OD1 3.35Å; R793-D809 IonicContact NE-OD2 2.76Å; R793-D809 PolarHBondContact NE-OD2 3.14Å; R793-D809 IonicContact NH2-OD1 3.42Å; R793-D809 PolarHBondContact NH2-OD1 3.01Å; R793-D809 IonicContact NH2-OD2 3.63Å; Y797-D809 WeakPolarHBondContact CD2-OD2 3.47Å; Y797-D809 VanDerWaalsContact CE2-OD2 3.24Å; Y797-D809 WeakPolarHBondContact CE2-OD2 3.38Å; K805-D809 PolarHBondContact O-N 3.33Å; A806-D809 PolarHBondContact O-N 3.18Å; I807-D809 PolarHBondContact O-N 2.97Å; D809-R812 WeakPolarHBondContact O-CB 3.44Å; D809-R812 PolarHBondContact O-N 3.26Å; D809-V813 WeakPolarHBondContact O-CG2 3.39Å; D809-V813 PolarHBondContact O-N 3.09Å
810I89Confident84.9Confident0 Ų064.1 Ų64.10%031%0.311CS..Hα-helixtrans-68.6-36.6174.4-64.5169.7000111.5A806 I807 R812 V813 I814 L826 F827 Y830A806-I810 WeakPolarHBondContact O-CG1 3.28Å; A806-I810 PolarHBondContact O-N 3.24Å; A806-I810 VanDerWaalsContact O-N 3.1Å; I807-I810 PolarHBondContact O-N 2.94Å; I810-R812 PolarHBondContact O-N 3.1Å; I810-V813 PolarHBondContact O-N 3.42Å; I810-I814 HydrophobicContact CG2-CD1 3.98Å; I810-I814 HydrophobicContact CG2-CG1 4.29Å; I810-I814 WeakPolarHBondContact O-CG1 3.23Å; I810-I814 PolarHBondContact O-N 3.13Å; I810-L826 HydrophobicContact CD1-CB 4.43Å; I810-L826 HydrophobicContact CD1-CD2 3.73Å; I810-L826 HydrophobicContact CD1-CG 3.74Å; I810-L826 HydrophobicContact CG1-CD2 4.17Å; I810-F827 HydrophobicContact CB-CD2 4.1Å; I810-F827 HydrophobicContact CG2-CB 3.62Å; I810-F827 HydrophobicContact CG2-CD2 3.84Å; I810-F827 HydrophobicContact CG2-CG 4.07Å; I810-Y830 HydrophobicContact CD1-CD1 4.24Å; I810-Y830 HydrophobicContact CD1-CD2 3.32Å; I810-Y830 HydrophobicContact CD1-CE1 4.34Å; I810-Y830 HydrophobicContact CD1-CE2 3.43Å; I810-Y830 VanDerWaalsContact CD1-CE2 3.43Å; I810-Y830 HydrophobicContact CD1-CG 3.76Å; I810-Y830 HydrophobicContact CG1-CE2 4.49Å
811Q87.8Confident84.5Confident93 Ų9362.9 Ų62.944%0.43530%0.304SS..Hα-helixtrans-57.5-37.7171.8-73.5173.2-45.400111.8I807 F808 H815 F827I807-Q811 WeakPolarHBondContact O-CG 3.27Å; I807-Q811 PolarHBondContact O-N 2.98Å; F808-Q811 PolarHBondContact O-N 3.43Å; Q811-H815 WeakPolarHBondContact O-CB 3.22Å; Q811-H815 PolarHBondContact O-N 3.49Å; Q811-F827 HydrophobicContact CG-CD2 4.41Å; Q811-F827 HydrophobicContact CG-CE1 4.47Å; Q811-F827 HydrophobicContact CG-CE2 3.47Å; Q811-F827 VanDerWaalsContact CG-CE2 3.47Å; Q811-F827 HydrophobicContact CG-CZ 3.52Å
812R88Confident84.4Confident84 Ų8461.4 Ų61.432%0.31730%0.297SS..Hα-helixtrans-67.8-41.6172.6-68.8-177.963.1166.10.5112.5L790 F808 D809 I810 H815 L816L790-R812 HydrophobicContact CD1-CB 4.12Å; L790-R812 HydrophobicContact CD2-CB 4.31Å; F808-R812 HydrophobicContact CE1-CG 4.49Å; F808-R812 PolarHBondContact O-N 2.99Å; F808-R812 VanDerWaalsContact O-N 3.14Å; D809-R812 WeakPolarHBondContact O-CB 3.44Å; D809-R812 PolarHBondContact O-N 3.26Å; I810-R812 PolarHBondContact O-N 3.1Å; R812-H815 PolarHBondContact O-N 2.62Å; R812-L816 VanDerWaalsContact O-CD1 3.3Å; R812-L816 WeakPolarHBondContact O-CD1 3.25Å; R812-L816 WeakPolarHBondContact O-CG 3.11Å; R812-L816 PolarHBondContact O-N 3.05Å
813V88Confident84.4Confident0 Ų059.5 Ų59.50%029%0.288CS..Hα-helixtrans-60.8-44.4175.7171.30000111.4I787 L790 L791 D809 I810 L816 S817 H823I787-V813 HydrophobicContact CG2-CG1 3.82Å; I787-V813 HydrophobicContact CG2-CG2 4.37Å; L790-V813 HydrophobicContact CB-CG2 3.49Å; L790-V813 VanDerWaalsContact CB-CG2 3.49Å; L790-V813 HydrophobicContact CD1-CG2 4.17Å; L790-V813 HydrophobicContact CG-CG2 4.45Å; L791-V813 HydrophobicContact CD2-CG1 4.22Å; L791-V813 HydrophobicContact CD2-CG2 4.15Å; L791-V813 HydrophobicContact CG-CG1 4.5Å; L791-V813 HydrophobicContact CG-CG2 4.17Å; D809-V813 WeakPolarHBondContact O-CG2 3.39Å; D809-V813 PolarHBondContact O-N 3.09Å; I810-V813 PolarHBondContact O-N 3.42Å; V813-L816 PolarHBondContact O-N 2.99Å; V813-S817 PolarHBondContact O-N 3.33Å; V813-S817 PolarHBondContact O-OG 2.9Å; V813-H823 HydrophobicContact CG1-CB 4.19Å; V813-H823 VanDerWaalsContact CG1-CD2 3.5Å; V813-H823 WeakPolarHBondContact CG1-CD2 3.41Å; V813-H823 VanDerWaalsContact CG1-CE1 3.46Å; V813-H823 WeakPolarHBondContact CG1-CE1 3.46Å; V813-H823 VanDerWaalsContact CG1-CG 3.5Å; V813-H823 WeakPolarHBondContact CG1-ND1 3.48Å; V813-H823 WeakPolarHBondContact CG1-NE2 3.37Å
814I86.9Confident84.5Confident21 Ų2159.1 Ų59.111%0.10829%0.285CS..Hα-helixtrans-59.1-47.5174.3-71.8170000110.6I810 L816 S817 P818 H823 Y824 F827I810-I814 HydrophobicContact CG2-CD1 3.98Å; I810-I814 HydrophobicContact CG2-CG1 4.29Å; I810-I814 WeakPolarHBondContact O-CG1 3.23Å; I810-I814 PolarHBondContact O-N 3.13Å; I814-L816 VanDerWaalsContact C-N 3.26Å; I814-L816 PolarHBondContact O-N 2.8Å; I814-S817 CarbonylContact O-C 3.57Å; I814-S817 VanDerWaalsContact O-C 3.24Å; I814-S817 PolarHBondContact O-N 3.38Å; I814-S817 VanDerWaalsContact O-N 3.16Å; I814-P818 VanDerWaalsContact O-CA 3.3Å; I814-P818 WeakPolarHBondContact O-CA 3.44Å; I814-P818 WeakPolarHBondContact O-CD 3.31Å; I814-H823 HydrophobicContact CG1-CB 3.77Å; I814-Y824 HydrophobicContact CD1-CD1 3.99Å; I814-Y824 HydrophobicContact CD1-CE1 4.24Å; I814-Y824 HydrophobicContact CD1-CG 4.24Å; I814-Y824 HydrophobicContact CG1-CE2 4.49Å; I814-Y824 HydrophobicContact CG2-CD1 4.46Å; I814-Y824 HydrophobicContact CG2-CE1 3.67Å; I814-Y824 HydrophobicContact CG2-CE2 4.04Å; I814-Y824 VanDerWaalsContact CG2-CZ 3.44Å; I814-Y824 WeakPolarHBondContact CG2-OH 3.46Å; I814-F827 HydrophobicContact CD1-CB 3.86Å; I814-F827 HydrophobicContact CD1-CD1 3.93Å; I814-F827 HydrophobicContact CD1-CG 3.9Å
815H86.1Confident84.3Confident161 Ų16155.5 Ų55.575%0.74527%0.266SS*.Hα-helixtrans-62.1-31.5177.6-170.7-46.1000113.1Q811 R812Q811-H815 WeakPolarHBondContact O-CB 3.22Å; Q811-H815 PolarHBondContact O-N 3.49Å; R812-H815 PolarHBondContact O-N 2.62Å
816L85.9Confident84Confident63 Ų6353 Ų5333%0.3326%0.257SS..Hα-helixtrans-83.1-18.9178.1-67.3159.3000113.2I784 P785 I787 L790 R812 V813 I814I784-L816 HydrophobicContact CG2-CD2 4.36Å; P785-L816 HydrophobicContact CG-CD1 3.82Å; P785-L816 HydrophobicContact CG-CD2 4.23Å; I787-L816 HydrophobicContact CG1-CB 4.37Å; L790-L816 HydrophobicContact CD1-CD1 3.34Å; R812-L816 VanDerWaalsContact O-CD1 3.3Å; R812-L816 WeakPolarHBondContact O-CD1 3.25Å; R812-L816 WeakPolarHBondContact O-CG 3.11Å; R812-L816 PolarHBondContact O-N 3.05Å; V813-L816 PolarHBondContact O-N 2.99Å; I814-L816 VanDerWaalsContact C-N 3.26Å; I814-L816 PolarHBondContact O-N 2.8Å
817S83.1Confident83.8Confident12 Ų1254 Ų548%0.08426%0.261CS..  trans-15063.6-17555.20000112.1V813 I814 H819 L820 H823V813-S817 PolarHBondContact O-N 3.33Å; V813-S817 PolarHBondContact O-OG 2.9Å; I814-S817 CarbonylContact O-C 3.57Å; I814-S817 VanDerWaalsContact O-C 3.24Å; I814-S817 PolarHBondContact O-N 3.38Å; I814-S817 VanDerWaalsContact O-N 3.16Å; S817-H819 PolarHBondContact O-N 3.26Å; S817-H819 VanDerWaalsContact O-N 3.11Å; S817-L820 PolarHBondContact O-N 3.46Å; S817-L820 VanDerWaalsContact O-N 3.1Å; S817-H823 PolarHBondContact OG-CE1 3.05Å; S817-H823 PolarHBondContact OG-ND1 3.12Å; S817-H823 VanDerWaalsContact OG-ND1 3.08Å
818P80.7Confident83.4Confident54 Ų5453.5 Ų53.535%0.35126%0.26SS..THydrogen-bonded Turntrans-66.9-15.4-173.128-36.5000113.5I814 L850I814-P818 VanDerWaalsContact O-CA 3.3Å; I814-P818 WeakPolarHBondContact O-CA 3.44Å; I814-P818 WeakPolarHBondContact O-CD 3.31Å; P818-L850 WeakPolarHBondContact O-CD1 3.42Å
819H78.2Confident82.9Confident162 Ų16251.3 Ų51.375%0.7525%0.253SS*.THydrogen-bonded Turntrans-83.1-8.9177.2-50.5-62.5000113.7S817 E821S817-H819 PolarHBondContact O-N 3.26Å; S817-H819 VanDerWaalsContact O-N 3.11Å; H819-E821 PolarHBondContact O-N 3.42Å
820L77.5Confident82.5Confident88 Ų8851.7 Ų51.746%0.46126%0.255SS..  trans-97.591.7-177.3-73.4177.1000111.6S817 N822 H823S817-L820 PolarHBondContact O-N 3.46Å; S817-L820 VanDerWaalsContact O-N 3.1Å; L820-N822 PolarHBondContact O-N 2.79Å; L820-N822 VanDerWaalsContact O-N 3.12Å; L820-H823 WeakPolarHBondContact CB-ND1 3.43Å; L820-H823 WeakPolarHBondContact O-CB 3.17Å; L820-H823 PolarHBondContact O-N 3.43Å; L820-H823 VanDerWaalsContact O-N 3.07Å
821E75.1Confident82.1Confident24 Ų2451.9 Ų51.911%0.11226%0.256CS..Hα-helixtrans-48.1-37.1-179.571.3-151.1149.300114.7H819 H823 Y824 L825 Y847 L850 A851 Q858H819-E821 PolarHBondContact O-N 3.42Å; E821-H823 PolarHBondContact O-N 3.34Å; E821-H823 VanDerWaalsContact O-N 3.07Å; E821-Y824 WeakPolarHBondContact O-CB 3.4Å; E821-Y824 PolarHBondContact O-N 2.72Å; E821-L825 PolarHBondContact O-N 3.25Å; E821-Y847 HydrophobicContact CB-CD2 3.92Å; E821-Y847 HydrophobicContact CB-CE2 4.02Å; E821-Y847 HydrophobicContact CG-CD2 4.49Å; E821-Y847 HydrophobicContact CG-CE2 4.13Å; E821-L850 HydrophobicContact CB-CB 4.13Å; E821-A851 WeakPolarHBondContact OE2-CA 3.45Å; E821-Q858 PolarHBondContact OE1-NE2 3.19Å
822N78.2Confident81.2Confident83 Ų8352 Ų5244%0.44426%0.256SS..Hα-helixtrans-54.6-30.9179.4-78.8-62.8000112.8L820 L825 L826L820-N822 PolarHBondContact O-N 2.79Å; L820-N822 VanDerWaalsContact O-N 3.12Å; N822-L825 PolarHBondContact O-N 3.29Å; N822-L826 PolarHBondContact O-N 3.3Å
823H84.4Confident80.1Confident19 Ų1952.7 Ų52.79%0.08826%0.261CS..Hα-helixtrans-70.5-35.4178.3-58.6144.6000112.5V813 I814 S817 L820 E821 L826 F827V813-H823 HydrophobicContact CG1-CB 4.19Å; V813-H823 VanDerWaalsContact CG1-CD2 3.5Å; V813-H823 WeakPolarHBondContact CG1-CD2 3.41Å; V813-H823 VanDerWaalsContact CG1-CE1 3.46Å; V813-H823 WeakPolarHBondContact CG1-CE1 3.46Å; V813-H823 VanDerWaalsContact CG1-CG 3.5Å; V813-H823 WeakPolarHBondContact CG1-ND1 3.48Å; V813-H823 WeakPolarHBondContact CG1-NE2 3.37Å; I814-H823 HydrophobicContact CG1-CB 3.77Å; S817-H823 PolarHBondContact OG-CE1 3.05Å; S817-H823 PolarHBondContact OG-ND1 3.12Å; S817-H823 VanDerWaalsContact OG-ND1 3.08Å; L820-H823 WeakPolarHBondContact CB-ND1 3.43Å; L820-H823 WeakPolarHBondContact O-CB 3.17Å; L820-H823 PolarHBondContact O-N 3.43Å; L820-H823 VanDerWaalsContact O-N 3.07Å; E821-H823 PolarHBondContact O-N 3.34Å; E821-H823 VanDerWaalsContact O-N 3.07Å; H823-L826 PolarHBondContact O-N 3.3Å; H823-F827 VanDerWaalsContact O-CB 3.29Å; H823-F827 WeakPolarHBondContact O-CB 3.11Å; H823-F827 PolarHBondContact O-N 2.88Å
824Y82.9Confident79.1Confident25 Ų2556.1 Ų56.110%0.09828%0.279CS..Hα-helixtrans-69.4-35.8175-67-92.6000111.8I814 E821 F827 A828 Q846 L850I814-Y824 HydrophobicContact CD1-CD1 3.99Å; I814-Y824 HydrophobicContact CD1-CE1 4.24Å; I814-Y824 HydrophobicContact CD1-CG 4.24Å; I814-Y824 HydrophobicContact CG1-CE2 4.49Å; I814-Y824 HydrophobicContact CG2-CD1 4.46Å; I814-Y824 HydrophobicContact CG2-CE1 3.67Å; I814-Y824 HydrophobicContact CG2-CE2 4.04Å; I814-Y824 VanDerWaalsContact CG2-CZ 3.44Å; I814-Y824 WeakPolarHBondContact CG2-OH 3.46Å; E821-Y824 WeakPolarHBondContact O-CB 3.4Å; E821-Y824 PolarHBondContact O-N 2.72Å; Y824-F827 WeakPolarHBondContact O-CB 3.42Å; Y824-F827 PolarHBondContact O-N 2.96Å; Y824-A828 WeakPolarHBondContact O-CB 3.34Å; Y824-A828 PolarHBondContact O-N 3.06Å; Y824-Q846 HydrophobicContact CD1-CB 3.57Å; Y824-Q846 HydrophobicContact CE1-CB 3.63Å; Y824-Q846 HydrophobicContact CE1-CG 4.29Å; Y824-Q846 VanDerWaalsContact CE1-OE1 3.29Å; Y824-Q846 HydrophobicContact CG-CB 4.42Å; Y824-L850 HydrophobicContact CD2-CD1 3.74Å; Y824-L850 HydrophobicContact CE2-CD1 3.41Å; Y824-L850 VanDerWaalsContact CE2-CD1 3.41Å
825L79.4Confident77.8Confident42 Ų4259 Ų5922%0.2231%0.306CS..Hα-helixtrans-69.9-39.9174.3-174.1140.2000112.1E821 N822 F827 A828 N829 Y847 Q861E821-L825 PolarHBondContact O-N 3.25Å; N822-L825 PolarHBondContact O-N 3.29Å; L825-F827 VanDerWaalsContact C-N 3.32Å; L825-F827 PolarHBondContact O-N 2.76Å; L825-A828 PolarHBondContact O-N 2.81Å; L825-N829 WeakPolarHBondContact CD2-ND2 3.33Å; L825-N829 PolarHBondContact O-N 3.49Å; L825-N829 VanDerWaalsContact O-N 3.07Å; L825-N829 PolarHBondContact O-ND2 2.97Å; L825-Y847 HydrophobicContact CB-CD2 4.21Å; L825-Y847 HydrophobicContact CB-CE2 4.48Å; L825-Y847 HydrophobicContact CD1-CE1 4.44Å; L825-Y847 HydrophobicContact CD1-CE2 4.3Å; L825-Q861 HydrophobicContact CD1-CB 3.7Å; L825-Q861 HydrophobicContact CD1-CG 3.81Å
826L81.2Confident77Confident50 Ų5054.4 Ų54.426%0.26229%0.287SS..Hα-helixtrans-62.2-41.1171.1-168.970.5000111.4L791 I810 N822 H823 N829 Y830L791-L826 HydrophobicContact CD2-CD2 3.86Å; I810-L826 HydrophobicContact CD1-CB 4.43Å; I810-L826 HydrophobicContact CD1-CD2 3.73Å; I810-L826 HydrophobicContact CD1-CG 3.74Å; I810-L826 HydrophobicContact CG1-CD2 4.17Å; N822-L826 PolarHBondContact O-N 3.3Å; H823-L826 PolarHBondContact O-N 3.3Å; L826-N829 PolarHBondContact O-N 2.62Å; L826-Y830 HydrophobicContact CD1-CD1 4.37Å; L826-Y830 HydrophobicContact CD1-CE1 3.7Å; L826-Y830 HydrophobicContact CG-CD1 4.4Å; L826-Y830 HydrophobicContact CG-CE1 3.99Å; L826-Y830 VanDerWaalsContact O-CD1 3.29Å; L826-Y830 WeakPolarHBondContact O-CD1 3.45Å; L826-Y830 PolarHBondContact O-N 2.89Å; L826-Y830 VanDerWaalsContact O-N 3.08Å
827F84.6Confident76.2Confident20 Ų2056 Ų569%0.08830%0.299CS..Hα-helixtrans-61.1-47.7176.2-169.7-132.4000112.3I807 I810 Q811 I814 H823 Y824 L825 N829 Y830 L831I807-F827 HydrophobicContact CB-CE2 4.35Å; I807-F827 HydrophobicContact CG2-CE2 3.63Å; I807-F827 HydrophobicContact CG2-CZ 4.33Å; I810-F827 HydrophobicContact CB-CD2 4.1Å; I810-F827 HydrophobicContact CG2-CB 3.62Å; I810-F827 HydrophobicContact CG2-CD2 3.84Å; I810-F827 HydrophobicContact CG2-CG 4.07Å; Q811-F827 HydrophobicContact CG-CD2 4.41Å; Q811-F827 HydrophobicContact CG-CE1 4.47Å; Q811-F827 HydrophobicContact CG-CE2 3.47Å; Q811-F827 VanDerWaalsContact CG-CE2 3.47Å; Q811-F827 HydrophobicContact CG-CZ 3.52Å; I814-F827 HydrophobicContact CD1-CB 3.86Å; I814-F827 HydrophobicContact CD1-CD1 3.93Å; I814-F827 HydrophobicContact CD1-CG 3.9Å; H823-F827 VanDerWaalsContact O-CB 3.29Å; H823-F827 WeakPolarHBondContact O-CB 3.11Å; H823-F827 PolarHBondContact O-N 2.88Å; Y824-F827 WeakPolarHBondContact O-CB 3.42Å; Y824-F827 PolarHBondContact O-N 2.96Å; L825-F827 VanDerWaalsContact C-N 3.32Å; L825-F827 PolarHBondContact O-N 2.76Å; F827-N829 VanDerWaalsContact C-N 3.34Å; F827-N829 PolarHBondContact O-N 3.25Å; F827-Y830 PolarHBondContact O-N 3Å; F827-Y830 VanDerWaalsContact O-N 3.17Å; F827-L831 HydrophobicContact CD1-CD1 3.76Å; F827-L831 HydrophobicContact CD2-CD1 4.28Å; F827-L831 HydrophobicContact CD2-CG 4.45Å; F827-L831 HydrophobicContact CE1-CD1 3.56Å; F827-L831 HydrophobicContact CE2-CD1 4.13Å; F827-L831 HydrophobicContact CE2-CG 4.28Å; F827-L831 HydrophobicContact CG-CD1 4.09Å; F827-L831 HydrophobicContact CZ-CD1 3.74Å; F827-L831 HydrophobicContact CZ-CD2 4.47Å; F827-L831 HydrophobicContact CZ-CG 4.3Å; F827-L831 WeakPolarHBondContact O-CB 3.45Å; F827-L831 WeakPolarHBondContact O-CG 3.34Å; F827-L831 PolarHBondContact O-N 3.2Å
828A78.1Confident75.8Confident6 Ų662.6 Ų62.65%0.0533%0.329CS..Hα-helixtrans-57-45.7175.100000112Y824 L825 Y830 L831 H832 S843 I844Y824-A828 WeakPolarHBondContact O-CB 3.34Å; Y824-A828 PolarHBondContact O-N 3.06Å; L825-A828 PolarHBondContact O-N 2.81Å; A828-Y830 VanDerWaalsContact C-N 3.31Å; A828-Y830 PolarHBondContact O-N 3.37Å; A828-L831 PolarHBondContact O-N 3.09Å; A828-H832 VanDerWaalsContact O-CB 3.3Å; A828-H832 WeakPolarHBondContact O-CB 3.46Å; A828-H832 PolarHBondContact O-N 3.41Å; A828-S843 WeakPolarHBondContact CA-OG 3.15Å; A828-S843 WeakPolarHBondContact CB-OG 3.48Å; A828-I844 HydrophobicContact CB-CD1 3.97Å; A828-I844 HydrophobicContact CB-CG1 3.57Å
829N77.3Confident75.5Confident68 Ų6864 Ų6436%0.36433%0.333SS..Hα-helixtrans-61.4-36177-77.6-47.2000113.1L825 L826 F827L825-N829 WeakPolarHBondContact CD2-ND2 3.33Å; L825-N829 PolarHBondContact O-N 3.49Å; L825-N829 VanDerWaalsContact O-N 3.07Å; L825-N829 PolarHBondContact O-ND2 2.97Å; L826-N829 PolarHBondContact O-N 2.62Å; F827-N829 VanDerWaalsContact C-N 3.34Å; F827-N829 PolarHBondContact O-N 3.25Å
830Y81.2Confident75.4Confident11 Ų1156.7 Ų56.74%0.04330%0.3CS..Hα-helixtrans-76.2-40.3178.3-78.933.9000111.4Y798 A806 I810 L826 F827 A828 H832 K833Y798-Y830 AromaticContact CD2-CD1 3.77Å; Y798-Y830 HydrophobicContact CD2-CD1 3.77Å; Y798-Y830 AromaticContact CD2-CD2 3.86Å; Y798-Y830 HydrophobicContact CD2-CD2 3.86Å; Y798-Y830 AromaticContact CD2-CE1 3.62Å; Y798-Y830 HydrophobicContact CD2-CE1 3.62Å; Y798-Y830 AromaticContact CD2-CE2 3.72Å; Y798-Y830 HydrophobicContact CD2-CE2 3.72Å; Y798-Y830 AromaticContact CD2-CG 3.9Å; Y798-Y830 HydrophobicContact CD2-CG 3.9Å; Y798-Y830 AromaticContact CD2-CZ 3.6Å; Y798-Y830 AromaticContact CE2-CD1 3.61Å; Y798-Y830 HydrophobicContact CE2-CD1 3.61Å; Y798-Y830 AromaticContact CE2-CE1 3.61Å; Y798-Y830 HydrophobicContact CE2-CE1 3.61Å; Y798-Y830 HydrophobicContact CE2-CG 4.09Å; Y798-Y830 HydrophobicContact CG-CE1 4.18Å; Y798-Y830 HydrophobicContact CG-CE2 4.05Å; Y798-Y830 AromaticContact CG-CZ 3.81Å; A806-Y830 HydrophobicContact CB-CD2 3.63Å; A806-Y830 HydrophobicContact CB-CE2 3.69Å; I810-Y830 HydrophobicContact CD1-CD1 4.24Å; I810-Y830 HydrophobicContact CD1-CD2 3.32Å; I810-Y830 HydrophobicContact CD1-CE1 4.34Å; I810-Y830 HydrophobicContact CD1-CE2 3.43Å; I810-Y830 VanDerWaalsContact CD1-CE2 3.43Å; I810-Y830 HydrophobicContact CD1-CG 3.76Å; I810-Y830 HydrophobicContact CG1-CE2 4.49Å; L826-Y830 HydrophobicContact CD1-CD1 4.37Å; L826-Y830 HydrophobicContact CD1-CE1 3.7Å; L826-Y830 HydrophobicContact CG-CD1 4.4Å; L826-Y830 HydrophobicContact CG-CE1 3.99Å; L826-Y830 VanDerWaalsContact O-CD1 3.29Å; L826-Y830 WeakPolarHBondContact O-CD1 3.45Å; L826-Y830 PolarHBondContact O-N 2.89Å; L826-Y830 VanDerWaalsContact O-N 3.08Å; F827-Y830 PolarHBondContact O-N 3Å; F827-Y830 VanDerWaalsContact O-N 3.17Å; A828-Y830 VanDerWaalsContact C-N 3.31Å; A828-Y830 PolarHBondContact O-N 3.37Å; Y830-H832 VanDerWaalsContact C-N 3.34Å; Y830-K833 PolarHBondContact O-N 2.64Å
831L79.4Confident75.4Confident4 Ų455.2 Ų55.22%0.02129%0.29CS..Hα-helixtrans-63-38.4173.5-73.7166.9000112.3I807 F827 A828 K833 L834 L839 V840I807-L831 HydrophobicContact CD1-CD2 3.98Å; I807-L831 HydrophobicContact CD1-CG 4.48Å; I807-L831 HydrophobicContact CG1-CD2 4.43Å; I807-L831 HydrophobicContact CG2-CD2 4.22Å; F827-L831 HydrophobicContact CD1-CD1 3.76Å; F827-L831 HydrophobicContact CD2-CD1 4.28Å; F827-L831 HydrophobicContact CD2-CG 4.45Å; F827-L831 HydrophobicContact CE1-CD1 3.56Å; F827-L831 HydrophobicContact CE2-CD1 4.13Å; F827-L831 HydrophobicContact CE2-CG 4.28Å; F827-L831 HydrophobicContact CG-CD1 4.09Å; F827-L831 HydrophobicContact CZ-CD1 3.74Å; F827-L831 HydrophobicContact CZ-CD2 4.47Å; F827-L831 HydrophobicContact CZ-CG 4.3Å; F827-L831 WeakPolarHBondContact O-CB 3.45Å; F827-L831 WeakPolarHBondContact O-CG 3.34Å; F827-L831 PolarHBondContact O-N 3.2Å; A828-L831 PolarHBondContact O-N 3.09Å; L831-K833 PolarHBondContact O-N 3.32Å; L831-L834 PolarHBondContact O-N 2.69Å; L831-L839 HydrophobicContact CD1-CB 3.89Å; L831-L839 HydrophobicContact CD2-CB 3.88Å; L831-L839 HydrophobicContact CD2-CD1 3.94Å; L831-L839 HydrophobicContact CG-CB 4.43Å; L831-V840 HydrophobicContact CB-CG2 3.58Å
832H69.3Low75.6Confident94 Ų9458.7 Ų58.744%0.43531%0.307SS..Hα-helixtrans-61.9-30.5178.3-175.5-83.3000112.1A828 Y830 L834 A835 V840 Y868A828-H832 VanDerWaalsContact O-CB 3.3Å; A828-H832 WeakPolarHBondContact O-CB 3.46Å; A828-H832 PolarHBondContact O-N 3.41Å; Y830-H832 VanDerWaalsContact C-N 3.34Å; H832-L834 VanDerWaalsContact C-N 3.28Å; H832-L834 PolarHBondContact O-N 3.44Å; H832-A835 PolarHBondContact O-N 3.37Å; H832-A835 VanDerWaalsContact O-N 3.14Å; H832-V840 HydrophobicContact CB-CG2 3.93Å; H832-V840 VanDerWaalsContact N-CG2 3.32Å; H832-Y868 AromaticContact CD2-CD1 3.96Å; H832-Y868 AromaticContact CD2-CE1 3.52Å; H832-Y868 AromaticContact NE2-CE1 3.46Å; H832-Y868 WeakPolarHBondContact NE2-CE1 3.04Å
833K65.4Low75.6Confident99 Ų9954.9 Ų54.943%0.4329%0.286SS..THydrogen-bonded Turntrans-69.4-20.1172.6-79.7-160.9173178.40114.7Y798 F803 Y830 L831 A835Y798-K833 HydrophobicContact CE2-CD 3.74Å; Y798-K833 VanDerWaalsContact CZ-NZ 3.28Å; Y798-K833 WeakPolarHBondContact OH-CE 3.06Å; Y798-K833 PolarHBondContact OH-NZ 3.11Å; F803-K833 HydrophobicContact CE1-CB 4.43Å; F803-K833 HydrophobicContact CE1-CD 3.83Å; F803-K833 HydrophobicContact CZ-CD 4.15Å; Y830-K833 PolarHBondContact O-N 2.64Å; L831-K833 PolarHBondContact O-N 3.32Å; K833-A835 VanDerWaalsContact C-N 3.34Å
834L65.7Low75.4Confident73 Ų7354.3 Ų54.338%0.38228%0.284SS..THydrogen-bonded Turntrans-903.9171.2-71.3-177.1000113.4F803 N804 I807 L831 H832 N836F803-L834 HydrophobicContact CB-CD1 4.2Å; F803-L834 HydrophobicContact CB-CD2 3.87Å; F803-L834 HydrophobicContact CB-CG 3.94Å; F803-L834 HydrophobicContact CD2-CD2 3.93Å; F803-L834 HydrophobicContact CG-CD2 4.27Å; N804-L834 WeakPolarHBondContact OD1-CD1 3.48Å; I807-L834 HydrophobicContact CD1-CD1 3.39Å; I807-L834 HydrophobicContact CD1-CG 4.18Å; L831-L834 PolarHBondContact O-N 2.69Å; H832-L834 VanDerWaalsContact C-N 3.28Å; H832-L834 PolarHBondContact O-N 3.44Å; L834-N836 PolarHBondContact O-N 2.86Å
835A61.4Low75.3Confident82 Ų8257 Ų5768%0.67830%0.298SS*.THydrogen-bonded Turntrans55.817.9-175.100000115H832 K833 T837H832-A835 PolarHBondContact O-N 3.37Å; H832-A835 VanDerWaalsContact O-N 3.14Å; K833-A835 VanDerWaalsContact C-N 3.34Å; A835-T837 VanDerWaalsContact C-N 3.35Å; A835-T837 PolarHBondContact O-N 3.5Å
836N68.4Low75.3Confident64 Ų6458.1 Ų58.134%0.34230%0.301SS..  trans-82.380.7178.1-170.3-28.5000110.4L834 Q838 L839 V840L834-N836 PolarHBondContact O-N 2.86Å; N836-Q838 VanDerWaalsContact C-N 3.32Å; N836-Q838 PolarHBondContact O-N 2.92Å; N836-L839 WeakPolarHBondContact ND2-CD1 3.37Å; N836-L839 PolarHBondContact O-N 2.97Å; N836-L839 PolarHBondContact OD1-N 3.44Å; N836-V840 WeakPolarHBondContact O-CG2 3.48Å; N836-V840 PolarHBondContact O-N 2.95Å; N836-V840 VanDerWaalsContact O-N 3.16Å
837T69.6Low75.4Confident95 Ų9555.9 Ų55.958%0.58329%0.289SS*.Hα-helixtrans-55.6-40.9-174.751.70000113.4A835 V840 Q841A835-T837 VanDerWaalsContact C-N 3.35Å; A835-T837 PolarHBondContact O-N 3.5Å; T837-V840 PolarHBondContact O-N 3.42Å; T837-Q841 WeakPolarHBondContact O-CG 3.49Å; T837-Q841 PolarHBondContact O-N 2.97Å
838Q74.9Confident75Confident151 Ų15155.4 Ų55.471%0.70629%0.288SS*.Hα-helixtrans-63.2-45.7-178.2-67.4179.9-15.700112.4N836 Q841 H842N836-Q838 VanDerWaalsContact C-N 3.32Å; N836-Q838 PolarHBondContact O-N 2.92Å; Q838-Q841 PolarHBondContact O-N 3.37Å; Q838-H842 PolarHBondContact O-N 2.87Å; Q838-H842 VanDerWaalsContact O-N 3.09Å
839L73.8Confident75.1Confident85 Ų8558.9 Ų58.945%0.44531%0.312SS..Hα-helixtrans-70.1-36178-66.9-175.1000112.2L831 N836 Q841 H842 S843L831-L839 HydrophobicContact CD1-CB 3.89Å; L831-L839 HydrophobicContact CD2-CB 3.88Å; L831-L839 HydrophobicContact CD2-CD1 3.94Å; L831-L839 HydrophobicContact CG-CB 4.43Å; N836-L839 WeakPolarHBondContact ND2-CD1 3.37Å; N836-L839 PolarHBondContact O-N 2.97Å; N836-L839 PolarHBondContact OD1-N 3.44Å; L839-Q841 VanDerWaalsContact C-N 3.32Å; L839-Q841 PolarHBondContact O-N 3Å; L839-H842 PolarHBondContact O-N 3.28Å; L839-S843 PolarHBondContact O-N 2.88Å; L839-S843 PolarHBondContact O-OG 3.47Å
840V75Confident75.1Confident7 Ų758 Ų584%0.04231%0.307CS..Hα-helixtrans-57.6-46.8171.5172.50000110.4L831 H832 N836 T837 H842 S843 I844L831-V840 HydrophobicContact CB-CG2 3.58Å; H832-V840 HydrophobicContact CB-CG2 3.93Å; H832-V840 VanDerWaalsContact N-CG2 3.32Å; N836-V840 WeakPolarHBondContact O-CG2 3.48Å; N836-V840 PolarHBondContact O-N 2.95Å; N836-V840 VanDerWaalsContact O-N 3.16Å; T837-V840 PolarHBondContact O-N 3.42Å; V840-H842 PolarHBondContact O-N 3.44Å; V840-S843 PolarHBondContact O-N 3.18Å; V840-S843 PolarHBondContact O-OG 3.29Å; V840-S843 VanDerWaalsContact O-OG 3.05Å; V840-I844 HydrophobicContact CG1-CD1 3.6Å; V840-I844 HydrophobicContact CG1-CG1 4.42Å; V840-I844 VanDerWaalsContact O-CB 3.31Å; V840-I844 WeakPolarHBondContact O-CB 3.15Å; V840-I844 WeakPolarHBondContact O-CG1 3.11Å; V840-I844 PolarHBondContact O-N 3.21Å
841Q77.8Confident74.6Confident57 Ų5757.5 Ų57.527%0.26631%0.305SS..Hα-helixtrans-63.7-40.7-180-71.8178.8-19.600112.1T837 Q838 L839 I844 Q845 Y868 L869T837-Q841 WeakPolarHBondContact O-CG 3.49Å; T837-Q841 PolarHBondContact O-N 2.97Å; Q838-Q841 PolarHBondContact O-N 3.37Å; L839-Q841 VanDerWaalsContact C-N 3.32Å; L839-Q841 PolarHBondContact O-N 3Å; Q841-I844 PolarHBondContact O-N 2.91Å; Q841-Q845 VanDerWaalsContact O-CG 3.31Å; Q841-Q845 WeakPolarHBondContact O-CG 3.49Å; Q841-Q845 PolarHBondContact O-N 3.11Å; Q841-Y868 PolarHBondContact NE2-O 3.42Å; Q841-L869 HydrophobicContact CB-CD2 3.77Å; Q841-L869 HydrophobicContact CG-CD2 3.99Å; Q841-L869 WeakPolarHBondContact O-CD2 3.25Å
842H79.9Confident73.9Confident98 Ų9862.5 Ų62.545%0.45433%0.328SS..Hα-helixtrans-68.1-43178-167.857.7000113.2Q838 L839 V840 I844 Q845 Q846Q838-H842 PolarHBondContact O-N 2.87Å; Q838-H842 VanDerWaalsContact O-N 3.09Å; L839-H842 PolarHBondContact O-N 3.28Å; V840-H842 PolarHBondContact O-N 3.44Å; H842-I844 PolarHBondContact O-N 2.54Å; H842-Q845 PolarHBondContact O-N 3.44Å; H842-Q846 PolarHBondContact NE2-NE2 3.5Å; H842-Q846 VanDerWaalsContact NE2-NE2 3.12Å; H842-Q846 WeakPolarHBondContact O-CG 3.32Å; H842-Q846 PolarHBondContact O-N 3.09Å; H842-Q846 VanDerWaalsContact O-N 3.14Å
843S77.9Confident73.5Confident2 Ų262.9 Ų62.91%0.01434%0.341CS..Hα-helixtrans-64.4-30.8176.962.20000112.6A828 L839 V840 Y847A828-S843 WeakPolarHBondContact CA-OG 3.15Å; A828-S843 WeakPolarHBondContact CB-OG 3.48Å; L839-S843 PolarHBondContact O-N 2.88Å; L839-S843 PolarHBondContact O-OG 3.47Å; V840-S843 PolarHBondContact O-N 3.18Å; V840-S843 PolarHBondContact O-OG 3.29Å; V840-S843 VanDerWaalsContact O-OG 3.05Å; S843-Y847 PolarHBondContact O-N 3.25Å
844I79.7Confident73.3Confident7 Ų762 Ų624%0.03634%0.339CS..Hα-helixtrans-75.7-35.5176.8-71.9178.9000112.5A828 V840 Q841 H842 Q846 Y847 L848 A865 Y868 L869A828-I844 HydrophobicContact CB-CD1 3.97Å; A828-I844 HydrophobicContact CB-CG1 3.57Å; V840-I844 HydrophobicContact CG1-CD1 3.6Å; V840-I844 HydrophobicContact CG1-CG1 4.42Å; V840-I844 VanDerWaalsContact O-CB 3.31Å; V840-I844 WeakPolarHBondContact O-CB 3.15Å; V840-I844 WeakPolarHBondContact O-CG1 3.11Å; V840-I844 PolarHBondContact O-N 3.21Å; Q841-I844 PolarHBondContact O-N 2.91Å; H842-I844 PolarHBondContact O-N 2.54Å; I844-Q846 VanDerWaalsContact C-N 3.29Å; I844-Q846 PolarHBondContact O-N 3.42Å; I844-Y847 PolarHBondContact O-N 3.07Å; I844-L848 HydrophobicContact CG2-CD1 4.37Å; I844-L848 WeakPolarHBondContact O-CG 3.34Å; I844-L848 PolarHBondContact O-N 2.91Å; I844-A865 VanDerWaalsContact CG2-CA 3.47Å; I844-A865 HydrophobicContact CG2-CB 3.33Å; I844-A865 WeakPolarHBondContact CG2-O 3.08Å; I844-Y868 VanDerWaalsContact CD1-CB 3.42Å; I844-Y868 HydrophobicContact CD1-CD2 3.7Å; I844-Y868 HydrophobicContact CD1-CG 3.85Å; I844-L869 HydrophobicContact CB-CD2 4.09Å; I844-L869 HydrophobicContact CG2-CD1 4.15Å; I844-L869 HydrophobicContact CG2-CD2 3.86Å; I844-L869 HydrophobicContact CG2-CG 3.76Å
845Q80.8Confident73.1Confident83 Ų8363.3 Ų63.339%0.38834%0.341SS..Hα-helixtrans-60.8-40.8170.2-73.2164.2-0.200111.3Q841 H842 L848 S849 L869Q841-Q845 VanDerWaalsContact O-CG 3.31Å; Q841-Q845 WeakPolarHBondContact O-CG 3.49Å; Q841-Q845 PolarHBondContact O-N 3.11Å; H842-Q845 PolarHBondContact O-N 3.44Å; Q845-L848 PolarHBondContact O-N 3.36Å; Q845-S849 PolarHBondContact O-N 3.08Å; Q845-S849 VanDerWaalsContact O-N 3.1Å; Q845-L869 HydrophobicContact CG-CD1 4.03Å; Q845-L869 HydrophobicContact CG-CD2 3.93Å
846Q80.8Confident73Confident64 Ų6468.1 Ų68.130%0.29935%0.349SS..Hα-helixtrans-65.2-45.6175.7-68.4172.2-20.800111.8Y824 H842 I844 L848 S849 L850Y824-Q846 HydrophobicContact CD1-CB 3.57Å; Y824-Q846 HydrophobicContact CE1-CB 3.63Å; Y824-Q846 HydrophobicContact CE1-CG 4.29Å; Y824-Q846 VanDerWaalsContact CE1-OE1 3.29Å; Y824-Q846 HydrophobicContact CG-CB 4.42Å; H842-Q846 PolarHBondContact NE2-NE2 3.5Å; H842-Q846 VanDerWaalsContact NE2-NE2 3.12Å; H842-Q846 WeakPolarHBondContact O-CG 3.32Å; H842-Q846 PolarHBondContact O-N 3.09Å; H842-Q846 VanDerWaalsContact O-N 3.14Å; I844-Q846 VanDerWaalsContact C-N 3.29Å; I844-Q846 PolarHBondContact O-N 3.42Å; Q846-L848 PolarHBondContact O-N 3.21Å; Q846-S849 PolarHBondContact O-N 3.47Å; Q846-S849 PolarHBondContact O-OG 2.77Å; Q846-L850 PolarHBondContact O-N 2.88Å
847Y82Confident72.6Confident3 Ų372 Ų721%0.01236%0.363CS..Hα-helixtrans-53.1-52172.8165-105.2000112E821 L825 S843 I844 S849 L850 A851 Q858 Q861 M862 A865E821-Y847 HydrophobicContact CB-CD2 3.92Å; E821-Y847 HydrophobicContact CB-CE2 4.02Å; E821-Y847 HydrophobicContact CG-CD2 4.49Å; E821-Y847 HydrophobicContact CG-CE2 4.13Å; L825-Y847 HydrophobicContact CB-CD2 4.21Å; L825-Y847 HydrophobicContact CB-CE2 4.48Å; L825-Y847 HydrophobicContact CD1-CE1 4.44Å; L825-Y847 HydrophobicContact CD1-CE2 4.3Å; S843-Y847 PolarHBondContact O-N 3.25Å; I844-Y847 PolarHBondContact O-N 3.07Å; Y847-S849 VanDerWaalsContact C-N 3.32Å; Y847-S849 PolarHBondContact O-N 3.18Å; Y847-L850 PolarHBondContact O-N 3.28Å; Y847-L850 VanDerWaalsContact O-N 3.14Å; Y847-A851 HydrophobicContact CE1-CB 4.38Å; Y847-A851 HydrophobicContact CE2-CB 4.06Å; Y847-A851 WeakPolarHBondContact O-CB 3.48Å; Y847-A851 PolarHBondContact O-N 3Å; Y847-Q858 WeakPolarHBondContact OH-CB 3.4Å; Y847-Q858 PolarHBondContact OH-OE1 3.37Å; Y847-Q861 HydrophobicContact CE1-CB 4.32Å; Y847-Q861 WeakPolarHBondContact OH-CB 3.49Å; Y847-Q861 PolarHBondContact OH-OE1 3.48Å; Y847-M862 HydrophobicContact CE1-CG 4.45Å; Y847-A865 HydrophobicContact CD1-CB 3.93Å; Y847-A865 HydrophobicContact CE1-CB 4.04Å
848L76.6Confident72.6Confident10 Ų1068.5 Ų68.55%0.05234%0.341CS..Hα-helixtrans-59.1-41.5179.8-72.9169000112.2I844 Q845 Q846 L850 A851 E852 M862 A865 Y866 L869I844-L848 HydrophobicContact CG2-CD1 4.37Å; I844-L848 WeakPolarHBondContact O-CG 3.34Å; I844-L848 PolarHBondContact O-N 2.91Å; Q845-L848 PolarHBondContact O-N 3.36Å; Q846-L848 PolarHBondContact O-N 3.21Å; L848-L850 PolarHBondContact O-N 3.12Å; L848-L850 VanDerWaalsContact O-N 3.15Å; L848-A851 PolarHBondContact O-N 3.07Å; L848-E852 WeakPolarHBondContact O-CG 3.38Å; L848-E852 PolarHBondContact O-N 3.15Å; L848-M862 HydrophobicContact CD2-CB 4.09Å; L848-M862 HydrophobicContact CD2-CE 4.03Å; L848-M862 HydrophobicContact CD2-CG 4.09Å; L848-A865 HydrophobicContact CD1-CB 4.14Å; L848-A865 HydrophobicContact CD2-CB 3.86Å; L848-A865 HydrophobicContact CG-CB 3.95Å; L848-Y866 HydrophobicContact CD1-CD1 3.8Å; L848-Y866 HydrophobicContact CD1-CE1 3.53Å; L848-Y866 HydrophobicContact CD1-CG 4.42Å; L848-Y866 HydrophobicContact CD2-CD2 4.34Å; L848-Y866 HydrophobicContact CD2-CE1 4.22Å; L848-Y866 HydrophobicContact CD2-CE2 3.79Å; L848-Y866 HydrophobicContact CG-CE1 4.49Å; L848-L869 HydrophobicContact CD1-CD1 3.59Å
849S79.8Confident72.5Confident80 Ų8062 Ų6256%0.55931%0.311SS*.Hα-helixtrans-64.8-16.318070.30000114.9Q845 Q846 Y847Q845-S849 PolarHBondContact O-N 3.08Å; Q845-S849 VanDerWaalsContact O-N 3.1Å; Q846-S849 PolarHBondContact O-N 3.47Å; Q846-S849 PolarHBondContact O-OG 2.77Å; Y847-S849 VanDerWaalsContact C-N 3.32Å; Y847-S849 PolarHBondContact O-N 3.18Å
850L78.2Confident72.4Confident48 Ų4861.2 Ų61.225%0.25131%0.305SS..Hα-helixtrans-95.7-45.4173-63.4169.6000110.9P818 E821 Y824 Q846 Y847 L848 E852 S853P818-L850 WeakPolarHBondContact O-CD1 3.42Å; E821-L850 HydrophobicContact CB-CB 4.13Å; Y824-L850 HydrophobicContact CD2-CD1 3.74Å; Y824-L850 HydrophobicContact CE2-CD1 3.41Å; Y824-L850 VanDerWaalsContact CE2-CD1 3.41Å; Q846-L850 PolarHBondContact O-N 2.88Å; Y847-L850 PolarHBondContact O-N 3.28Å; Y847-L850 VanDerWaalsContact O-N 3.14Å; L848-L850 PolarHBondContact O-N 3.12Å; L848-L850 VanDerWaalsContact O-N 3.15Å; L850-E852 PolarHBondContact O-N 3.28Å; L850-E852 VanDerWaalsContact O-N 3.15Å; L850-S853 PolarHBondContact O-N 3.49Å; L850-S853 PolarHBondContact O-OG 3.13Å
851A70.4Confident72.3Confident1 Ų163.8 Ų63.81%0.00832%0.317CS..Hα-helixtrans-64.3-15.9-18000000114E821 Y847 L848 S853 E854 K855 M862E821-A851 WeakPolarHBondContact OE2-CA 3.45Å; Y847-A851 HydrophobicContact CE1-CB 4.38Å; Y847-A851 HydrophobicContact CE2-CB 4.06Å; Y847-A851 WeakPolarHBondContact O-CB 3.48Å; Y847-A851 PolarHBondContact O-N 3Å; L848-A851 PolarHBondContact O-N 3.07Å; A851-S853 PolarHBondContact O-N 3.22Å; A851-E854 PolarHBondContact O-N 2.97Å; A851-K855 PolarHBondContact O-N 3.4Å; A851-M862 HydrophobicContact CB-CG 4.41Å
852E64.3Low72.2Confident110 Ų11061.3 Ų61.351%0.51431%0.305SS..THydrogen-bonded Turntrans-57-18.1170.7-82.5-160.7-133.500114.2L848 L850 K855L848-E852 WeakPolarHBondContact O-CG 3.38Å; L848-E852 PolarHBondContact O-N 3.15Å; L850-E852 PolarHBondContact O-N 3.28Å; L850-E852 VanDerWaalsContact O-N 3.15Å; E852-K855 WeakPolarHBondContact O-CE 3.45Å; E852-K855 WeakPolarHBondContact O-CG 3.5Å; E852-K855 IonicContact OE2-NZ 3.62Å; E852-K855 PolarHBondContact OE2-NZ 3.09Å
853S61.3Low72Confident101 Ų10156.7 Ų56.771%0.70628%0.284SS*.THydrogen-bonded Turntrans-76.1-31.1173.260.30000114.4L850 A851L850-S853 PolarHBondContact O-N 3.49Å; L850-S853 PolarHBondContact O-OG 3.13Å; A851-S853 PolarHBondContact O-N 3.22Å
854E62Low71.8Confident80 Ų8059.9 Ų59.937%0.37430%0.3SS..SBendtrans-126.837-174.1-62.6-145.4131.900113.3A851 H856 K857A851-E854 PolarHBondContact O-N 2.97Å; E854-H856 PolarHBondContact O-N 3.17Å; E854-K857 PolarHBondContact O-N 3.41Å; E854-K857 WeakPolarHBondContact OE1-CE 3.46Å; E854-K857 IonicContact OE1-NZ 2.82Å; E854-K857 PolarHBondContact OE1-NZ 3.07Å; E854-K857 WeakPolarHBondContact OE2-CD 3.42Å; E854-K857 VanDerWaalsContact OE2-CE 3.27Å; E854-K857 WeakPolarHBondContact OE2-CE 3.19Å; E854-K857 IonicContact OE2-NZ 3.55Å; E854-K857 PolarHBondContact OE2-NZ 3.16Å
855K60.2Low71.6Confident101 Ų10159.8 Ų59.844%0.43930%0.3SS..THydrogen-bonded Turntrans-39.4-39.6-174.6-63.4-177.8179-179.10115.1A851 E852 K857 V859 M862A851-K855 PolarHBondContact O-N 3.4Å; E852-K855 WeakPolarHBondContact O-CE 3.45Å; E852-K855 WeakPolarHBondContact O-CG 3.5Å; E852-K855 IonicContact OE2-NZ 3.62Å; E852-K855 PolarHBondContact OE2-NZ 3.09Å; K855-K857 PolarHBondContact O-N 3.38Å; K855-V859 WeakPolarHBondContact O-CG2 3.34Å; K855-M862 HydrophobicContact CB-SD 4.45Å; K855-M862 HydrophobicContact CG-CE 4.39Å; K855-M862 HydrophobicContact CG-SD 4.45Å
856H59.1Low71.6Confident183 Ų18357.1 Ų57.185%0.84729%0.287SS*.THydrogen-bonded Turntrans-70-23.5-178.7-61.8-61.1000115.4E854E854-H856 PolarHBondContact O-N 3.17Å
857K60.8Low71.5Confident145 Ų14556.6 Ų56.663%0.6328%0.283SS*.THydrogen-bonded Turntrans-87.4-21.8-177.4-62.4-170.3-157159.30113.8E854 K855E854-K857 PolarHBondContact O-N 3.41Å; E854-K857 WeakPolarHBondContact OE1-CE 3.46Å; E854-K857 IonicContact OE1-NZ 2.82Å; E854-K857 PolarHBondContact OE1-NZ 3.07Å; E854-K857 WeakPolarHBondContact OE2-CD 3.42Å; E854-K857 VanDerWaalsContact OE2-CE 3.27Å; E854-K857 WeakPolarHBondContact OE2-CE 3.19Å; E854-K857 IonicContact OE2-NZ 3.55Å; E854-K857 PolarHBondContact OE2-NZ 3.16Å; K855-K857 PolarHBondContact O-N 3.38Å
858Q69.4Low71Confident23 Ų2359.8 Ų59.811%0.10730%0.295CS..  trans-126.822.3-165.6-61.2-169.31400114.7E821 Y847 E860 Q861 M862E821-Q858 PolarHBondContact OE1-NE2 3.19Å; Y847-Q858 WeakPolarHBondContact OH-CB 3.4Å; Y847-Q858 PolarHBondContact OH-OE1 3.37Å; Q858-E860 VanDerWaalsContact C-N 3.27Å; Q858-E860 PolarHBondContact O-N 3.07Å; Q858-E860 VanDerWaalsContact O-N 3.12Å; Q858-Q861 HydrophobicContact CB-CB 4.38Å; Q858-Q861 WeakPolarHBondContact O-CA 3.47Å; Q858-Q861 WeakPolarHBondContact O-CB 3.47Å; Q858-Q861 PolarHBondContact O-N 3.06Å; Q858-M862 PolarHBondContact O-N 3.08Å
859V72.7Confident71Confident15 Ų1560 Ų609%0.09130%0.296CS..Hα-helixtrans-48.2-43.5-177.7-176.80000113.5K855 Q861 M862 A863 V878 L879 D882K855-V859 WeakPolarHBondContact O-CG2 3.34Å; V859-Q861 PolarHBondContact O-N 3.01Å; V859-M862 PolarHBondContact O-N 3.31Å; V859-A863 VanDerWaalsContact O-CB 3.29Å; V859-A863 WeakPolarHBondContact O-CB 3.5Å; V859-A863 PolarHBondContact O-N 3.44Å; V859-V878 HydrophobicContact CG1-CG1 3.76Å; V859-V878 WeakPolarHBondContact CG1-O 3.45Å; V859-L879 HydrophobicContact CG1-CD2 4.27Å; V859-D882 HydrophobicContact CB-CB 4.36Å; V859-D882 WeakPolarHBondContact CB-OD2 3.42Å; V859-D882 HydrophobicContact CG1-CB 3.72Å; V859-D882 VanDerWaalsContact CG1-OD2 3.27Å; V859-D882 WeakPolarHBondContact CG1-OD2 3.49Å; V859-D882 HydrophobicContact CG2-CB 4.17Å
860E73.1Confident70.8Confident68 Ų6860.9 Ų60.932%0.31830%0.295SS..Hα-helixtrans-63.6-41177.8-65.5-167.8178.400112.6Q858 L864 K891Q858-E860 VanDerWaalsContact C-N 3.27Å; Q858-E860 PolarHBondContact O-N 3.07Å; Q858-E860 VanDerWaalsContact O-N 3.12Å; E860-L864 WeakPolarHBondContact O-CB 3.49Å; E860-L864 VanDerWaalsContact O-CG 3.29Å; E860-L864 WeakPolarHBondContact O-CG 3.49Å; E860-L864 PolarHBondContact O-N 2.77Å; E860-K891 HydrophobicContact CG-CD 4.33Å; E860-K891 HydrophobicContact CG-CG 3.81Å; E860-K891 WeakPolarHBondContact OE1-CE 3.22Å; E860-K891 VanDerWaalsContact OE1-CG 3.26Å; E860-K891 WeakPolarHBondContact OE1-CG 3.43Å
861Q71.7Confident71Confident60 Ų6063.8 Ų63.828%0.2830%0.302SS..Hα-helixtrans-72.9-39179.5-64.6-178.32.100111.3L825 Y847 Q858 V859 L864 A865L825-Q861 HydrophobicContact CD1-CB 3.7Å; L825-Q861 HydrophobicContact CD1-CG 3.81Å; Y847-Q861 HydrophobicContact CE1-CB 4.32Å; Y847-Q861 WeakPolarHBondContact OH-CB 3.49Å; Y847-Q861 PolarHBondContact OH-OE1 3.48Å; Q858-Q861 HydrophobicContact CB-CB 4.38Å; Q858-Q861 WeakPolarHBondContact O-CA 3.47Å; Q858-Q861 WeakPolarHBondContact O-CB 3.47Å; Q858-Q861 PolarHBondContact O-N 3.06Å; V859-Q861 PolarHBondContact O-N 3.01Å; Q861-L864 PolarHBondContact O-N 3.16Å; Q861-A865 VanDerWaalsContact O-CB 3.23Å; Q861-A865 WeakPolarHBondContact O-CB 3.18Å; Q861-A865 PolarHBondContact O-N 2.66Å
862M74.9Confident71.7Confident6 Ų665.7 Ų65.73%0.0331%0.31CS..Hα-helixtrans-62.6-43.2171.5-66.5-174.677.100111.8Y847 L848 A851 K855 Q858 V859 A865 Y866 V878Y847-M862 HydrophobicContact CE1-CG 4.45Å; L848-M862 HydrophobicContact CD2-CB 4.09Å; L848-M862 HydrophobicContact CD2-CE 4.03Å; L848-M862 HydrophobicContact CD2-CG 4.09Å; A851-M862 HydrophobicContact CB-CG 4.41Å; K855-M862 HydrophobicContact CB-SD 4.45Å; K855-M862 HydrophobicContact CG-CE 4.39Å; K855-M862 HydrophobicContact CG-SD 4.45Å; Q858-M862 PolarHBondContact O-N 3.08Å; V859-M862 PolarHBondContact O-N 3.31Å; M862-A865 VanDerWaalsContact O-CB 3.29Å; M862-A865 WeakPolarHBondContact O-CB 3.49Å; M862-A865 PolarHBondContact O-N 3.31Å; M862-Y866 HydrophobicContact CB-CE2 4.28Å; M862-Y866 HydrophobicContact CE-CE2 4.3Å; M862-Y866 WeakPolarHBondContact O-CD2 3.47Å; M862-Y866 PolarHBondContact O-N 2.9Å; M862-V878 HydrophobicContact CB-CG1 4.17Å
863A76Confident72.7Confident0 Ų067.7 Ų67.70%032%0.316CS..Hα-helixtrans-66.7-40.7177.800000112.6V859 A865 Y866 Y867 L879 L894V859-A863 VanDerWaalsContact O-CB 3.29Å; V859-A863 WeakPolarHBondContact O-CB 3.5Å; V859-A863 PolarHBondContact O-N 3.44Å; A863-A865 VanDerWaalsContact C-N 3.34Å; A863-Y866 PolarHBondContact O-N 3.11Å; A863-Y867 WeakPolarHBondContact O-CB 3.16Å; A863-Y867 PolarHBondContact O-N 3.22Å; A863-L879 HydrophobicContact CB-CD1 3.86Å; A863-L879 HydrophobicContact CB-CD2 3.63Å; A863-L879 HydrophobicContact CB-CG 3.54Å; A863-L894 HydrophobicContact CB-CD2 3.67Å
864L75.1Confident73.7Confident70 Ų7066.3 Ų66.337%0.36630%0.299SS..Hα-helixtrans-61.7-42170.5-75.3167000111.4E860 Q861 Y867 Y868 L894E860-L864 WeakPolarHBondContact O-CB 3.49Å; E860-L864 VanDerWaalsContact O-CG 3.29Å; E860-L864 WeakPolarHBondContact O-CG 3.49Å; E860-L864 PolarHBondContact O-N 2.77Å; Q861-L864 PolarHBondContact O-N 3.16Å; L864-Y867 WeakPolarHBondContact O-CB 3.42Å; L864-Y867 PolarHBondContact O-N 3.05Å; L864-Y868 HydrophobicContact CB-CE2 4.45Å; L864-Y868 WeakPolarHBondContact O-CD2 3.31Å; L864-Y868 PolarHBondContact O-N 3.08Å; L864-L894 HydrophobicContact CD2-CD1 3.75Å; L864-L894 HydrophobicContact CD2-CD2 4.12Å; L864-L894 HydrophobicContact CG-CD1 4.43Å; L864-L894 HydrophobicContact CG-CD2 3.9Å
865A74.4Confident74.7Confident4 Ų462.5 Ų62.53%0.03328%0.281CS..Hα-helixtrans-56.5-5717400000111.6I844 Y847 L848 Q861 M862 A863 Y867 Y868 L869I844-A865 VanDerWaalsContact CG2-CA 3.47Å; I844-A865 HydrophobicContact CG2-CB 3.33Å; I844-A865 WeakPolarHBondContact CG2-O 3.08Å; Y847-A865 HydrophobicContact CD1-CB 3.93Å; Y847-A865 HydrophobicContact CE1-CB 4.04Å; L848-A865 HydrophobicContact CD1-CB 4.14Å; L848-A865 HydrophobicContact CD2-CB 3.86Å; L848-A865 HydrophobicContact CG-CB 3.95Å; Q861-A865 VanDerWaalsContact O-CB 3.23Å; Q861-A865 WeakPolarHBondContact O-CB 3.18Å; Q861-A865 PolarHBondContact O-N 2.66Å; M862-A865 VanDerWaalsContact O-CB 3.29Å; M862-A865 WeakPolarHBondContact O-CB 3.49Å; M862-A865 PolarHBondContact O-N 3.31Å; A863-A865 VanDerWaalsContact C-N 3.34Å; A865-Y867 VanDerWaalsContact C-N 3.26Å; A865-Y867 PolarHBondContact O-N 2.79Å; A865-Y868 PolarHBondContact O-N 3.2Å; A865-Y868 VanDerWaalsContact O-N 3.1Å; A865-L869 WeakPolarHBondContact O-CG 3.2Å; A865-L869 PolarHBondContact O-N 3.14Å
866Y80.5Confident75.9Confident27 Ų2759.2 Ų59.211%0.10627%0.267CS..Hα-helixtrans-59.5-34.2177.3-68.3-62.1000112.9L848 M862 A863 L869 N870 R871 E874 V878L848-Y866 HydrophobicContact CD1-CD1 3.8Å; L848-Y866 HydrophobicContact CD1-CE1 3.53Å; L848-Y866 HydrophobicContact CD1-CG 4.42Å; L848-Y866 HydrophobicContact CD2-CD2 4.34Å; L848-Y866 HydrophobicContact CD2-CE1 4.22Å; L848-Y866 HydrophobicContact CD2-CE2 3.79Å; L848-Y866 HydrophobicContact CG-CE1 4.49Å; M862-Y866 HydrophobicContact CB-CE2 4.28Å; M862-Y866 HydrophobicContact CE-CE2 4.3Å; M862-Y866 WeakPolarHBondContact O-CD2 3.47Å; M862-Y866 PolarHBondContact O-N 2.9Å; A863-Y866 PolarHBondContact O-N 3.11Å; Y866-L869 HydrophobicContact CD1-CD1 4.47Å; Y866-L869 PolarHBondContact O-N 2.9Å; Y866-N870 PolarHBondContact O-N 2.78Å; Y866-R871 HydrophobicContact CD1-CB 4.3Å; Y866-R871 PolarHBondContact O-N 2.9Å; Y866-E874 HydrophobicContact CD1-CB 3.52Å; Y866-E874 HydrophobicContact CD1-CG 4.43Å; Y866-E874 VanDerWaalsContact CD1-OE2 3.25Å; Y866-E874 WeakPolarHBondContact CD1-OE2 3.29Å; Y866-E874 HydrophobicContact CD2-CB 4.28Å; Y866-E874 HydrophobicContact CE1-CB 3.79Å; Y866-E874 HydrophobicContact CE1-CG 4.42Å; Y866-E874 WeakPolarHBondContact CE1-OE2 3.42Å; Y866-E874 HydrophobicContact CG-CB 3.81Å; Y866-V878 HydrophobicContact CD2-CG2 4.42Å; Y866-V878 HydrophobicContact CE2-CG2 3.93Å
867Y78.8Confident77.1Confident54 Ų5455.1 Ų55.121%0.21225%0.251CS..Hα-helixtrans-62.1-45.6172.7176.1-89.8000112.3A863 L864 A865 L869 N870 Y872 L897 I898 K901A863-Y867 WeakPolarHBondContact O-CB 3.16Å; A863-Y867 PolarHBondContact O-N 3.22Å; L864-Y867 WeakPolarHBondContact O-CB 3.42Å; L864-Y867 PolarHBondContact O-N 3.05Å; A865-Y867 VanDerWaalsContact C-N 3.26Å; A865-Y867 PolarHBondContact O-N 2.79Å; Y867-L869 VanDerWaalsContact C-N 3.3Å; Y867-L869 PolarHBondContact O-N 3.12Å; Y867-N870 PolarHBondContact O-N 3.46Å; Y867-N870 VanDerWaalsContact O-N 3.09Å; Y867-Y872 HydrophobicContact CD2-CD1 4.09Å; Y867-Y872 AromaticContact CD2-CE1 3.92Å; Y867-Y872 HydrophobicContact CD2-CE1 3.92Å; Y867-Y872 HydrophobicContact CE2-CE1 4.25Å; Y867-Y872 HydrophobicContact CG-CE1 4.42Å; Y867-Y872 WeakPolarHBondContact O-CE1 3.43Å; Y867-L897 HydrophobicContact CE2-CB 4.42Å; Y867-I898 HydrophobicContact CD2-CG1 3.88Å; Y867-K901 HydrophobicContact CE2-CG 3.89Å
868Y72.8Confident78.1Confident70 Ų7049.6 Ų49.628%0.27523%0.229SC..Hα-helixtrans-68.7-25.4175-71.2-59.5000113.8H832 Q841 I844 L864 A865 N870H832-Y868 AromaticContact CD2-CD1 3.96Å; H832-Y868 AromaticContact CD2-CE1 3.52Å; H832-Y868 AromaticContact NE2-CE1 3.46Å; H832-Y868 WeakPolarHBondContact NE2-CE1 3.04Å; Q841-Y868 PolarHBondContact NE2-O 3.42Å; I844-Y868 VanDerWaalsContact CD1-CB 3.42Å; I844-Y868 HydrophobicContact CD1-CD2 3.7Å; I844-Y868 HydrophobicContact CD1-CG 3.85Å; L864-Y868 HydrophobicContact CB-CE2 4.45Å; L864-Y868 WeakPolarHBondContact O-CD2 3.31Å; L864-Y868 PolarHBondContact O-N 3.08Å; A865-Y868 PolarHBondContact O-N 3.2Å; A865-Y868 VanDerWaalsContact O-N 3.1Å; Y868-N870 PolarHBondContact O-N 2.69Å
869L76.4Confident78.6Confident15 Ų1548.5 Ų48.58%0.07922%0.224CC..THydrogen-bonded Turntrans-76-0.4170.5-62.3-174.8000113.8Q841 I844 Q845 L848 A865 Y866 Y867 R871Q841-L869 HydrophobicContact CB-CD2 3.77Å; Q841-L869 HydrophobicContact CG-CD2 3.99Å; Q841-L869 WeakPolarHBondContact O-CD2 3.25Å; I844-L869 HydrophobicContact CB-CD2 4.09Å; I844-L869 HydrophobicContact CG2-CD1 4.15Å; I844-L869 HydrophobicContact CG2-CD2 3.86Å; I844-L869 HydrophobicContact CG2-CG 3.76Å; Q845-L869 HydrophobicContact CG-CD1 4.03Å; Q845-L869 HydrophobicContact CG-CD2 3.93Å; L848-L869 HydrophobicContact CD1-CD1 3.59Å; A865-L869 WeakPolarHBondContact O-CG 3.2Å; A865-L869 PolarHBondContact O-N 3.14Å; Y866-L869 HydrophobicContact CD1-CD1 4.47Å; Y866-L869 PolarHBondContact O-N 2.9Å; Y867-L869 VanDerWaalsContact C-N 3.3Å; Y867-L869 PolarHBondContact O-N 3.12Å; L869-R871 HydrophobicContact CB-CB 4.21Å; L869-R871 HydrophobicContact CB-CG 3.79Å; L869-R871 PolarHBondContact O-N 3.45Å; L869-R871 VanDerWaalsContact O-N 3.13Å
870N75.3Confident79Confident97 Ų9751.3 Ų51.352%0.51924%0.238SC..THydrogen-bonded Turntrans56.416.2-167.1-57.7-21.3000113.9Y866 Y867 Y868 Y872Y866-N870 PolarHBondContact O-N 2.78Å; Y867-N870 PolarHBondContact O-N 3.46Å; Y867-N870 VanDerWaalsContact O-N 3.09Å; Y868-N870 PolarHBondContact O-N 2.69Å; N870-Y872 HydrophobicContact CB-CE1 4.44Å; N870-Y872 HydrophobicContact CB-CE2 4.15Å; N870-Y872 WeakPolarHBondContact O-CD2 2.97Å; N870-Y872 PolarHBondContact O-N 3.08Å; N870-Y872 PolarHBondContact OD1-OH 3.41Å
871R82.8Confident79.2Confident110 Ų11053.6 Ų53.642%0.41525%0.249SC..  trans-8856.9179.8-64.7-166.4-173.4-174.4-0.4110.7Y866 L869 K873 E874 A875Y866-R871 HydrophobicContact CD1-CB 4.3Å; Y866-R871 PolarHBondContact O-N 2.9Å; L869-R871 HydrophobicContact CB-CB 4.21Å; L869-R871 HydrophobicContact CB-CG 3.79Å; L869-R871 PolarHBondContact O-N 3.45Å; L869-R871 VanDerWaalsContact O-N 3.13Å; R871-K873 PolarHBondContact O-N 2.95Å; R871-E874 HydrophobicContact CB-CB 4.29Å; R871-E874 VanDerWaalsContact CD-CD 3.44Å; R871-E874 WeakPolarHBondContact CD-OE1 3.45Å; R871-E874 WeakPolarHBondContact CD-OE2 3.32Å; R871-E874 IonicContact CZ-OE2 2.76Å; R871-E874 IonicContact NE-OE2 3.42Å; R871-E874 IonicContact NH1-OE1 3.35Å; R871-E874 PolarHBondContact NH1-OE1 2.96Å; R871-E874 IonicContact NH1-OE2 2.67Å; R871-E874 PolarHBondContact NH1-OE2 3.29Å; R871-E874 PolarHBondContact O-N 3.23Å; R871-A875 PolarHBondContact O-N 2.94Å; R871-A875 VanDerWaalsContact O-N 3.17Å
872Y84.3Confident79.4Confident41 Ų4152.1 Ų52.116%0.16124%0.243CC..Hα-helixtrans-57.9-27.4-170.8-51.9-50.9000113.7Y867 N870 E876 I898 K901 Q902Y867-Y872 HydrophobicContact CD2-CD1 4.09Å; Y867-Y872 AromaticContact CD2-CE1 3.92Å; Y867-Y872 HydrophobicContact CD2-CE1 3.92Å; Y867-Y872 HydrophobicContact CE2-CE1 4.25Å; Y867-Y872 HydrophobicContact CG-CE1 4.42Å; Y867-Y872 WeakPolarHBondContact O-CE1 3.43Å; N870-Y872 HydrophobicContact CB-CE1 4.44Å; N870-Y872 HydrophobicContact CB-CE2 4.15Å; N870-Y872 WeakPolarHBondContact O-CD2 2.97Å; N870-Y872 PolarHBondContact O-N 3.08Å; N870-Y872 PolarHBondContact OD1-OH 3.41Å; Y872-E876 VanDerWaalsContact O-CB 3.28Å; Y872-E876 WeakPolarHBondContact O-CB 3.33Å; Y872-E876 PolarHBondContact O-N 3.37Å; Y872-I898 WeakPolarHBondContact O-CG2 3.34Å; Y872-K901 HydrophobicContact CD1-CB 4.01Å; Y872-K901 HydrophobicContact CD2-CB 3.92Å; Y872-K901 HydrophobicContact CE1-CB 3.81Å; Y872-K901 HydrophobicContact CE1-CG 4.23Å; Y872-K901 HydrophobicContact CE2-CB 3.71Å; Y872-K901 HydrophobicContact CG-CB 4.08Å; Y872-Q902 VanDerWaalsContact C-NE2 3.32Å; Y872-Q902 HydrophobicContact CD2-CG 4.42Å; Y872-Q902 HydrophobicContact CG-CG 4.37Å; Y872-Q902 PolarHBondContact O-NE2 3.42Å; Y872-Q902 VanDerWaalsContact O-NE2 3.12Å
873K84.7Confident79.4Confident151 Ų15153.1 Ų53.166%0.65725%0.248SC*.Hα-helixtrans-70.4-37.2175-66.5-178178.4179.70113.5R871 E876 I877R871-K873 PolarHBondContact O-N 2.95Å; K873-E876 PolarHBondContact O-N 3.07Å; K873-I877 WeakPolarHBondContact O-CD1 3.49Å; K873-I877 WeakPolarHBondContact O-CG1 3.24Å; K873-I877 PolarHBondContact O-N 3.35Å; K873-I877 VanDerWaalsContact O-N 3.16Å
874E83.1Confident79.2Confident72 Ų7260.7 Ų60.734%0.33628%0.281SS..Hα-helixtrans-71-39.4176.1-69.9166.2-150.200109.9Y866 R871 E876 I877 V878Y866-E874 HydrophobicContact CD1-CB 3.52Å; Y866-E874 HydrophobicContact CD1-CG 4.43Å; Y866-E874 VanDerWaalsContact CD1-OE2 3.25Å; Y866-E874 WeakPolarHBondContact CD1-OE2 3.29Å; Y866-E874 HydrophobicContact CD2-CB 4.28Å; Y866-E874 HydrophobicContact CE1-CB 3.79Å; Y866-E874 HydrophobicContact CE1-CG 4.42Å; Y866-E874 WeakPolarHBondContact CE1-OE2 3.42Å; Y866-E874 HydrophobicContact CG-CB 3.81Å; R871-E874 HydrophobicContact CB-CB 4.29Å; R871-E874 VanDerWaalsContact CD-CD 3.44Å; R871-E874 WeakPolarHBondContact CD-OE1 3.45Å; R871-E874 WeakPolarHBondContact CD-OE2 3.32Å; R871-E874 IonicContact CZ-OE2 2.76Å; R871-E874 IonicContact NE-OE2 3.42Å; R871-E874 IonicContact NH1-OE1 3.35Å; R871-E874 PolarHBondContact NH1-OE1 2.96Å; R871-E874 IonicContact NH1-OE2 2.67Å; R871-E874 PolarHBondContact NH1-OE2 3.29Å; R871-E874 PolarHBondContact O-N 3.23Å; E874-E876 PolarHBondContact O-N 3.32Å; E874-I877 PolarHBondContact O-N 3.47Å; E874-V878 WeakPolarHBondContact O-CG2 3.45Å; E874-V878 PolarHBondContact O-N 3.03Å; E874-V878 VanDerWaalsContact O-N 3.14Å
875A82.4Confident78.8Confident0 Ų064.8 Ų64.80%030%0.298CS..Hα-helixtrans-61.8-40.4172.800000112.9R871 L879 I898R871-A875 PolarHBondContact O-N 2.94Å; R871-A875 VanDerWaalsContact O-N 3.17Å; A875-L879 WeakPolarHBondContact O-CG 3.42Å; A875-L879 PolarHBondContact O-N 3.02Å; A875-I898 HydrophobicContact CB-CD1 3.44Å; A875-I898 VanDerWaalsContact CB-CD1 3.44Å; A875-I898 HydrophobicContact CB-CG1 3.91Å; A875-I898 HydrophobicContact CB-CG2 4.19Å
876E85.4Confident78.5Confident33 Ų3370.9 Ų70.915%0.15433%0.326CS..Hα-helixtrans-62.2-48.6176.8174.8175.8-157.500111.5Y872 K873 E874 L880 L895 I898 L899 Q902 K904Y872-E876 VanDerWaalsContact O-CB 3.28Å; Y872-E876 WeakPolarHBondContact O-CB 3.33Å; Y872-E876 PolarHBondContact O-N 3.37Å; K873-E876 PolarHBondContact O-N 3.07Å; E874-E876 PolarHBondContact O-N 3.32Å; E876-L880 HydrophobicContact CG-CD1 3.71Å; E876-L880 HydrophobicContact CG-CG 4.48Å; E876-L880 VanDerWaalsContact O-CB 3.28Å; E876-L880 WeakPolarHBondContact O-CB 3.33Å; E876-L880 WeakPolarHBondContact O-CG 3.49Å; E876-L880 PolarHBondContact O-N 3.02Å; E876-L895 HydrophobicContact CB-CD1 4.27Å; E876-L895 HydrophobicContact CG-CD1 4.17Å; E876-I898 HydrophobicContact CB-CG2 4.03Å; E876-L899 WeakPolarHBondContact OE1-CD2 3.19Å; E876-Q902 PolarHBondContact OE2-NE2 2.89Å; E876-Q902 PolarHBondContact OE2-OE1 2.96Å; E876-K904 IonicContact OE1-NZ 3.63Å; E876-K904 PolarHBondContact OE1-NZ 3.29Å; E876-K904 IonicContact OE2-NZ 2.66Å; E876-K904 PolarHBondContact OE2-NZ 3.29Å
877I83.7Confident77.8Confident96 Ų9672.9 Ų72.949%0.49234%0.342SS..Hα-helixtrans-60.7-50.7179.2-67.7162.9000111.1K873 E874 L879 L880 E881K873-I877 WeakPolarHBondContact O-CD1 3.49Å; K873-I877 WeakPolarHBondContact O-CG1 3.24Å; K873-I877 PolarHBondContact O-N 3.35Å; K873-I877 VanDerWaalsContact O-N 3.16Å; E874-I877 PolarHBondContact O-N 3.47Å; I877-L879 VanDerWaalsContact C-N 3.32Å; I877-L879 PolarHBondContact O-N 2.89Å; I877-L880 PolarHBondContact O-N 3.11Å; I877-L880 VanDerWaalsContact O-N 3.09Å; I877-E881 PolarHBondContact O-N 3.16Å; I877-E881 VanDerWaalsContact O-N 3.1Å
878V82.1Confident77.6Confident30 Ų3072.7 Ų72.718%0.18235%0.346CS..Hα-helixtrans-62.7-36.6-175.3165.80000112.3V859 M862 Y866 E874V859-V878 HydrophobicContact CG1-CG1 3.76Å; V859-V878 WeakPolarHBondContact CG1-O 3.45Å; M862-V878 HydrophobicContact CB-CG1 4.17Å; Y866-V878 HydrophobicContact CD2-CG2 4.42Å; Y866-V878 HydrophobicContact CE2-CG2 3.93Å; E874-V878 WeakPolarHBondContact O-CG2 3.45Å; E874-V878 PolarHBondContact O-N 3.03Å; E874-V878 VanDerWaalsContact O-N 3.14Å
879L81.1Confident77.9Confident0 Ų070.1 Ų70.10%034%0.337CS..Hα-helixtrans-74-37.9172-71175.5000113.1V859 A863 A875 I877 E881 D882 L883 K891 L894 L895 I898V859-L879 HydrophobicContact CG1-CD2 4.27Å; A863-L879 HydrophobicContact CB-CD1 3.86Å; A863-L879 HydrophobicContact CB-CD2 3.63Å; A863-L879 HydrophobicContact CB-CG 3.54Å; A875-L879 WeakPolarHBondContact O-CG 3.42Å; A875-L879 PolarHBondContact O-N 3.02Å; I877-L879 VanDerWaalsContact C-N 3.32Å; I877-L879 PolarHBondContact O-N 2.89Å; L879-E881 VanDerWaalsContact C-N 3.26Å; L879-E881 PolarHBondContact O-N 3.48Å; L879-D882 PolarHBondContact O-N 2.87Å; L879-L883 HydrophobicContact CB-CD1 4.2Å; L879-L883 WeakPolarHBondContact O-CB 3.4Å; L879-L883 WeakPolarHBondContact O-CG 3.13Å; L879-L883 PolarHBondContact O-N 3.2Å; L879-K891 HydrophobicContact CD2-CB 4.2Å; L879-K891 HydrophobicContact CD2-CG 4.46Å; L879-L894 HydrophobicContact CD1-CB 4.15Å; L879-L894 HydrophobicContact CD1-CD2 4.12Å; L879-L894 HydrophobicContact CD1-CG 3.92Å; L879-L894 HydrophobicContact CD2-CD2 4.48Å; L879-L895 HydrophobicContact CB-CB 4.44Å; L879-L895 HydrophobicContact CB-CD1 4.38Å; L879-L895 HydrophobicContact CB-CD2 4.45Å; L879-L895 HydrophobicContact CD1-CB 3.8Å; L879-L895 HydrophobicContact CD1-CD1 4.37Å; L879-I898 HydrophobicContact CD1-CD1 3.47Å; L879-I898 VanDerWaalsContact CD1-CD1 3.47Å
880L81.5Confident77.8Confident73 Ų7373.9 Ų73.938%0.38236%0.357SS..Hα-helixtrans-69.2-19.6-178.9-78.5173.6000113.8E876 I877 K884 L895E876-L880 HydrophobicContact CG-CD1 3.71Å; E876-L880 HydrophobicContact CG-CG 4.48Å; E876-L880 VanDerWaalsContact O-CB 3.28Å; E876-L880 WeakPolarHBondContact O-CB 3.33Å; E876-L880 WeakPolarHBondContact O-CG 3.49Å; E876-L880 PolarHBondContact O-N 3.02Å; I877-L880 PolarHBondContact O-N 3.11Å; I877-L880 VanDerWaalsContact O-N 3.09Å; L880-K884 WeakPolarHBondContact O-CD 3.42Å; L880-K884 WeakPolarHBondContact O-CE 3.05Å; L880-K884 VanDerWaalsContact O-CG 3.25Å; L880-K884 WeakPolarHBondContact O-CG 3.42Å; L880-K884 PolarHBondContact O-NZ 3.21Å; L880-L895 HydrophobicContact CD2-CD2 3.68Å; L880-L895 HydrophobicContact CG-CD2 3.99Å
881E75.8Confident78.1Confident116 Ų11670.5 Ų70.554%0.54234%0.338SS..Hα-helixtrans-75.7-50.8171.5-70.8-178.7170.100111.4I877 L879 K884 H885I877-E881 PolarHBondContact O-N 3.16Å; I877-E881 VanDerWaalsContact O-N 3.1Å; L879-E881 VanDerWaalsContact C-N 3.26Å; L879-E881 PolarHBondContact O-N 3.48Å; E881-K884 WeakPolarHBondContact O-CB 3.34Å; E881-K884 PolarHBondContact O-N 2.73Å; E881-H885 PolarHBondContact O-CD2 3.04Å; E881-H885 VanDerWaalsContact O-CD2 3.31Å
882D76.7Confident78Confident30 Ų3065.8 Ų65.816%0.1632%0.321CS..Hα-helixtrans-69.6-39.9-178.6179.623.6000113.1V859 L879 K884 H885 Q886 K891V859-D882 HydrophobicContact CB-CB 4.36Å; V859-D882 WeakPolarHBondContact CB-OD2 3.42Å; V859-D882 HydrophobicContact CG1-CB 3.72Å; V859-D882 VanDerWaalsContact CG1-OD2 3.27Å; V859-D882 WeakPolarHBondContact CG1-OD2 3.49Å; V859-D882 HydrophobicContact CG2-CB 4.17Å; L879-D882 PolarHBondContact O-N 2.87Å; D882-K884 PolarHBondContact O-N 3.12Å; D882-H885 PolarHBondContact O-N 2.95Å; D882-Q886 PolarHBondContact O-N 3.46Å; D882-K891 VanDerWaalsContact CG-NZ 3.27Å; D882-K891 IonicContact OD1-NZ 2.66Å; D882-K891 PolarHBondContact OD1-NZ 3.05Å; D882-K891 VanDerWaalsContact OD1-NZ 3.13Å; D882-K891 WeakPolarHBondContact OD2-CD 3.49Å; D882-K891 WeakPolarHBondContact OD2-CE 3.38Å; D882-K891 IonicContact OD2-NZ 2.72Å; D882-K891 PolarHBondContact OD2-NZ 3.15Å
883L75Confident78Confident26 Ų2664.7 Ų64.714%0.13632%0.318CS..THydrogen-bonded Turntrans-64-19.8177.3-75.7171.4000114.1L879 H885 P887 K891 T892 L895L879-L883 HydrophobicContact CB-CD1 4.2Å; L879-L883 WeakPolarHBondContact O-CB 3.4Å; L879-L883 WeakPolarHBondContact O-CG 3.13Å; L879-L883 PolarHBondContact O-N 3.2Å; L883-H885 VanDerWaalsContact C-N 3.28Å; L883-P887 HydrophobicContact CD2-CB 4.47Å; L883-K891 HydrophobicContact CD1-CB 4.49Å; L883-K891 HydrophobicContact CD2-CB 3.56Å; L883-K891 HydrophobicContact CG-CB 4.12Å; L883-T892 HydrophobicContact CD1-CG2 4.4Å; L883-T892 HydrophobicContact CD2-CG2 3.64Å; L883-L895 HydrophobicContact CD1-CB 4.24Å; L883-L895 HydrophobicContact CD1-CD2 3.52Å
884K72Confident77.9Confident159 Ų15958.3 Ų58.369%0.69129%0.291SS*.THydrogen-bonded Turntrans-69.1-27.8170.5-70.4159.4-172.91570112.3L880 E881 D882L880-K884 WeakPolarHBondContact O-CD 3.42Å; L880-K884 WeakPolarHBondContact O-CE 3.05Å; L880-K884 VanDerWaalsContact O-CG 3.25Å; L880-K884 WeakPolarHBondContact O-CG 3.42Å; L880-K884 PolarHBondContact O-NZ 3.21Å; E881-K884 WeakPolarHBondContact O-CB 3.34Å; E881-K884 PolarHBondContact O-N 2.73Å; D882-K884 PolarHBondContact O-N 3.12Å
885H66.8Low78Confident157 Ų15755 Ų5573%0.72728%0.276SS*.THydrogen-bonded Turntrans-94.5-44.2-178-64.8-69.7000111.9E881 D882 L883E881-H885 PolarHBondContact O-CD2 3.04Å; E881-H885 VanDerWaalsContact O-CD2 3.31Å; D882-H885 PolarHBondContact O-N 2.95Å; L883-H885 VanDerWaalsContact C-N 3.28Å
886Q66.6Low78Confident131 Ų13155 Ų5561%0.61228%0.276SS*.  trans-142.5105.6176-65.8-170.27.100111.4D882 V888D882-Q886 PolarHBondContact O-N 3.46Å; Q886-V888 HydrophobicContact CB-CG2 4.32Å; Q886-V888 PolarHBondContact O-N 3.37Å; Q886-V888 VanDerWaalsContact O-N 3.11Å
887P65.8Low77.8Confident69 Ų6955.2 Ų55.245%0.44828%0.277SS..  trans-75.3104.7174.132.7-36.2000109.9L883 L919L883-P887 HydrophobicContact CD2-CB 4.47Å; P887-L919 HydrophobicContact CB-CD2 3.96Å; P887-L919 HydrophobicContact CG-CD2 3.95Å; P887-L919 WeakPolarHBondContact O-CD2 3.17Å
888V75.2Confident77.9Confident50 Ų5050.7 Ų50.730%0.30325%0.254SS..  trans-107.7141.8-179.8-179.50000109.6Q886 N890 K891 T892Q886-V888 HydrophobicContact CB-CG2 4.32Å; Q886-V888 PolarHBondContact O-N 3.37Å; Q886-V888 VanDerWaalsContact O-N 3.11Å; V888-N890 PolarHBondContact O-N 3.36Å; V888-K891 HydrophobicContact CB-CB 4.41Å; V888-K891 HydrophobicContact CB-CD 3.94Å; V888-K891 HydrophobicContact CB-CG 4.09Å; V888-K891 HydrophobicContact CG2-CD 4.24Å; V888-K891 WeakPolarHBondContact O-CB 3.34Å; V888-K891 PolarHBondContact O-N 3.01Å; V888-T892 PolarHBondContact O-N 2.96Å
889F78.2Confident78.1Confident16 Ų1649.7 Ų49.77%0.0725%0.248CC..Hα-helixtrans-48.9-58.6-176.8176-94.3000113.2K891 T892 L893 C921 E925 E928 I929F889-K891 VanDerWaalsContact C-N 3.27Å; F889-K891 PolarHBondContact O-N 2.98Å; F889-T892 PolarHBondContact O-N 2.93Å; F889-T892 VanDerWaalsContact O-N 3.08Å; F889-T892 PolarHBondContact O-OG1 3.15Å; F889-L893 HydrophobicContact CE1-CB 4.43Å; F889-L893 HydrophobicContact CE1-CD2 3.9Å; F889-L893 HydrophobicContact CZ-CD2 3.99Å; F889-L893 PolarHBondContact O-N 3.42Å; F889-C921 HydrophobicContact CD2-CB 4.29Å; F889-E925 HydrophobicContact CB-CG 4.48Å; F889-E925 HydrophobicContact CD1-CB 4.08Å; F889-E925 HydrophobicContact CD1-CG 3.61Å; F889-E925 HydrophobicContact CD2-CB 3.63Å; F889-E925 HydrophobicContact CD2-CG 3.98Å; F889-E925 HydrophobicContact CE1-CB 3.93Å; F889-E925 HydrophobicContact CE1-CG 3.75Å; F889-E925 HydrophobicContact CE2-CB 3.41Å; F889-E925 VanDerWaalsContact CE2-CB 3.41Å; F889-E925 HydrophobicContact CE2-CG 4.07Å; F889-E925 WeakPolarHBondContact CE2-O 3.47Å; F889-E925 HydrophobicContact CG-CB 3.94Å; F889-E925 HydrophobicContact CG-CG 3.74Å; F889-E925 VanDerWaalsContact CZ-CA 3.47Å; F889-E925 HydrophobicContact CZ-CB 3.6Å; F889-E925 HydrophobicContact CZ-CG 3.98Å; F889-E925 WeakPolarHBondContact CZ-O 3.28Å; F889-E928 HydrophobicContact CZ-CB 4.31Å; F889-I929 HydrophobicContact CD2-CD1 4.04Å; F889-I929 HydrophobicContact CE2-CD1 3.46Å; F889-I929 VanDerWaalsContact CE2-CD1 3.46Å; F889-I929 HydrophobicContact CE2-CG1 3.56Å; F889-I929 HydrophobicContact CZ-CD1 4.45Å; F889-I929 HydrophobicContact CZ-CG1 4.08Å
890N76.2Confident78Confident95 Ų9550.2 Ų50.251%0.50825%0.251SS..Hα-helixtrans-52-46.3-178.2-66.7-7.4000111.8V888 L893 L894V888-N890 PolarHBondContact O-N 3.36Å; N890-L893 PolarHBondContact O-N 3.44Å; N890-L894 WeakPolarHBondContact O-CB 3.45Å; N890-L894 PolarHBondContact O-N 3.47Å
891K80.5Confident77.9Confident26 Ų2650.6 Ų50.611%0.11325%0.249CC..Hα-helixtrans-63.1-45.3179.3-59.2-178.1-173.9-179.80111.9E860 L879 D882 L883 V888 F889 L894 L895E860-K891 HydrophobicContact CG-CD 4.33Å; E860-K891 HydrophobicContact CG-CG 3.81Å; E860-K891 WeakPolarHBondContact OE1-CE 3.22Å; E860-K891 VanDerWaalsContact OE1-CG 3.26Å; E860-K891 WeakPolarHBondContact OE1-CG 3.43Å; L879-K891 HydrophobicContact CD2-CB 4.2Å; L879-K891 HydrophobicContact CD2-CG 4.46Å; D882-K891 VanDerWaalsContact CG-NZ 3.27Å; D882-K891 IonicContact OD1-NZ 2.66Å; D882-K891 PolarHBondContact OD1-NZ 3.05Å; D882-K891 VanDerWaalsContact OD1-NZ 3.13Å; D882-K891 WeakPolarHBondContact OD2-CD 3.49Å; D882-K891 WeakPolarHBondContact OD2-CE 3.38Å; D882-K891 IonicContact OD2-NZ 2.72Å; D882-K891 PolarHBondContact OD2-NZ 3.15Å; L883-K891 HydrophobicContact CD1-CB 4.49Å; L883-K891 HydrophobicContact CD2-CB 3.56Å; L883-K891 HydrophobicContact CG-CB 4.12Å; V888-K891 HydrophobicContact CB-CB 4.41Å; V888-K891 HydrophobicContact CB-CD 3.94Å; V888-K891 HydrophobicContact CB-CG 4.09Å; V888-K891 HydrophobicContact CG2-CD 4.24Å; V888-K891 WeakPolarHBondContact O-CB 3.34Å; V888-K891 PolarHBondContact O-N 3.01Å; F889-K891 VanDerWaalsContact C-N 3.27Å; F889-K891 PolarHBondContact O-N 2.98Å; K891-L894 PolarHBondContact O-N 3.05Å; K891-L895 WeakPolarHBondContact O-CB 3.31Å; K891-L895 PolarHBondContact O-N 2.79Å
892T81.6Confident78.2Confident10 Ų1047 Ų476%0.06123%0.232CC..Hα-helixtrans-66.7-37.3176.761.40000112.8L883 V888 F889 L895 G896 L911 L919L883-T892 HydrophobicContact CD1-CG2 4.4Å; L883-T892 HydrophobicContact CD2-CG2 3.64Å; V888-T892 PolarHBondContact O-N 2.96Å; F889-T892 PolarHBondContact O-N 2.93Å; F889-T892 VanDerWaalsContact O-N 3.08Å; F889-T892 PolarHBondContact O-OG1 3.15Å; T892-L895 PolarHBondContact O-N 3.45Å; T892-G896 PolarHBondContact O-N 3.46Å; T892-L911 WeakPolarHBondContact O-CD2 3.49Å; T892-L919 HydrophobicContact CG2-CD1 4.14Å
893L82.7Confident78.3Confident18 Ų1852.5 Ų52.59%0.09426%0.262CS..Hα-helixtrans-67.8-43177-169.869.5000111.4F889 N890 G896 L897 L912 E928 I929F889-L893 HydrophobicContact CE1-CB 4.43Å; F889-L893 HydrophobicContact CE1-CD2 3.9Å; F889-L893 HydrophobicContact CZ-CD2 3.99Å; F889-L893 PolarHBondContact O-N 3.42Å; N890-L893 PolarHBondContact O-N 3.44Å; L893-G896 PolarHBondContact O-N 3.44Å; L893-L897 PolarHBondContact O-N 3.4Å; L893-L912 HydrophobicContact CD1-CD2 4.22Å; L893-E928 HydrophobicContact CD2-CB 4.5Å; L893-I929 HydrophobicContact CD1-CG1 4.03Å
894L82.5Confident78.7Confident18 Ų1854.1 Ų54.19%0.09427%0.268CS..Hα-helixtrans-63-42.1175.8-176.459.6000111.5A863 L864 L879 N890 K891 G896 L897 I898A863-L894 HydrophobicContact CB-CD2 3.67Å; L864-L894 HydrophobicContact CD2-CD1 3.75Å; L864-L894 HydrophobicContact CD2-CD2 4.12Å; L864-L894 HydrophobicContact CG-CD1 4.43Å; L864-L894 HydrophobicContact CG-CD2 3.9Å; L879-L894 HydrophobicContact CD1-CB 4.15Å; L879-L894 HydrophobicContact CD1-CD2 4.12Å; L879-L894 HydrophobicContact CD1-CG 3.92Å; L879-L894 HydrophobicContact CD2-CD2 4.48Å; N890-L894 WeakPolarHBondContact O-CB 3.45Å; N890-L894 PolarHBondContact O-N 3.47Å; K891-L894 PolarHBondContact O-N 3.05Å; L894-G896 VanDerWaalsContact C-N 3.33Å; L894-G896 PolarHBondContact O-N 2.88Å; L894-L897 WeakPolarHBondContact O-CB 3.2Å; L894-L897 PolarHBondContact O-N 2.7Å; L894-I898 HydrophobicContact CD1-CD1 4.34Å; L894-I898 HydrophobicContact CG-CD1 3.93Å; L894-I898 WeakPolarHBondContact O-CD1 3.32Å; L894-I898 WeakPolarHBondContact O-CG1 3.28Å; L894-I898 PolarHBondContact O-N 3.11Å
895L85.4Confident79.1Confident3 Ų347.8 Ų47.82%0.01624%0.243CC..Hα-helixtrans-62.3-40.1174.3-174.853000111.6E876 L879 L880 L883 K891 T892 L897 I898 L899 L911E876-L895 HydrophobicContact CB-CD1 4.27Å; E876-L895 HydrophobicContact CG-CD1 4.17Å; L879-L895 HydrophobicContact CB-CB 4.44Å; L879-L895 HydrophobicContact CB-CD1 4.38Å; L879-L895 HydrophobicContact CB-CD2 4.45Å; L879-L895 HydrophobicContact CD1-CB 3.8Å; L879-L895 HydrophobicContact CD1-CD1 4.37Å; L880-L895 HydrophobicContact CD2-CD2 3.68Å; L880-L895 HydrophobicContact CG-CD2 3.99Å; L883-L895 HydrophobicContact CD1-CB 4.24Å; L883-L895 HydrophobicContact CD1-CD2 3.52Å; K891-L895 WeakPolarHBondContact O-CB 3.31Å; K891-L895 PolarHBondContact O-N 2.79Å; T892-L895 PolarHBondContact O-N 3.45Å; L895-L897 PolarHBondContact O-N 3.39Å; L895-I898 HydrophobicContact CD1-CG2 4.47Å; L895-I898 WeakPolarHBondContact O-CB 3.11Å; L895-I898 PolarHBondContact O-N 2.85Å; L895-L899 HydrophobicContact CD1-CG 4.41Å; L895-L899 HydrophobicContact CG-CD1 4.37Å; L895-L899 VanDerWaalsContact O-CG 3.31Å; L895-L899 WeakPolarHBondContact O-CG 3.45Å; L895-L899 PolarHBondContact O-N 2.86Å; L895-L911 HydrophobicContact CB-CD1 4.3Å; L895-L911 HydrophobicContact CD2-CD1 3.66Å; L895-L911 HydrophobicContact CG-CD1 3.7Å
896G83Confident80Confident0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-58.7-43.1171.900000113.3T892 L893 L894 L899 D900 S908 Y936T892-G896 PolarHBondContact O-N 3.46Å; L893-G896 PolarHBondContact O-N 3.44Å; L894-G896 VanDerWaalsContact C-N 3.33Å; L894-G896 PolarHBondContact O-N 2.88Å; G896-L899 PolarHBondContact O-N 2.85Å; G896-D900 PolarHBondContact O-N 3.19Å; G896-S908 VanDerWaalsContact C-OG 3.23Å; G896-S908 VanDerWaalsContact CA-OG 3.24Å; G896-S908 WeakPolarHBondContact CA-OG 3.43Å; G896-S908 PolarHBondContact O-OG 3.18Å; G896-Y936 PolarHBondContact O-OH 2.88Å
897L82.4Confident80.8Confident37 Ų3744.7 Ų44.719%0.19423%0.229CC..Hα-helixtrans-65.5-36.5175.6-72.8166000112.7Y867 L893 L894 L895 K901Y867-L897 HydrophobicContact CE2-CB 4.42Å; L893-L897 PolarHBondContact O-N 3.4Å; L894-L897 WeakPolarHBondContact O-CB 3.2Å; L894-L897 PolarHBondContact O-N 2.7Å; L895-L897 PolarHBondContact O-N 3.39Å; L897-K901 WeakPolarHBondContact O-CG 3.24Å; L897-K901 PolarHBondContact O-N 2.7Å; L897-K901 VanDerWaalsContact O-N 3.13Å
898I84.6Confident81.7Confident0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-65.3-44175.3-75.4157.6000110.9Y867 Y872 A875 E876 L879 L894 L895 K901 Q902Y867-I898 HydrophobicContact CD2-CG1 3.88Å; Y872-I898 WeakPolarHBondContact O-CG2 3.34Å; A875-I898 HydrophobicContact CB-CD1 3.44Å; A875-I898 VanDerWaalsContact CB-CD1 3.44Å; A875-I898 HydrophobicContact CB-CG1 3.91Å; A875-I898 HydrophobicContact CB-CG2 4.19Å; E876-I898 HydrophobicContact CB-CG2 4.03Å; L879-I898 HydrophobicContact CD1-CD1 3.47Å; L879-I898 VanDerWaalsContact CD1-CD1 3.47Å; L894-I898 HydrophobicContact CD1-CD1 4.34Å; L894-I898 HydrophobicContact CG-CD1 3.93Å; L894-I898 WeakPolarHBondContact O-CD1 3.32Å; L894-I898 WeakPolarHBondContact O-CG1 3.28Å; L894-I898 PolarHBondContact O-N 3.11Å; L895-I898 HydrophobicContact CD1-CG2 4.47Å; L895-I898 WeakPolarHBondContact O-CB 3.11Å; L895-I898 PolarHBondContact O-N 2.85Å; I898-K901 PolarHBondContact O-N 2.91Å; I898-Q902 WeakPolarHBondContact O-CG 3.3Å; I898-Q902 PolarHBondContact O-N 3.16Å; I898-Q902 VanDerWaalsContact O-N 3.16Å
899L85.7Confident82.3Confident10 Ų1039.7 Ų39.75%0.05220%0.196CC..Hα-helixtrans-65.1-43.1176.9-68.3170.7000111.9E876 L895 G896 K901 Q902 N903 K904 D907 L911E876-L899 WeakPolarHBondContact OE1-CD2 3.19Å; L895-L899 HydrophobicContact CD1-CG 4.41Å; L895-L899 HydrophobicContact CG-CD1 4.37Å; L895-L899 VanDerWaalsContact O-CG 3.31Å; L895-L899 WeakPolarHBondContact O-CG 3.45Å; L895-L899 PolarHBondContact O-N 2.86Å; G896-L899 PolarHBondContact O-N 2.85Å; L899-K901 VanDerWaalsContact C-N 3.3Å; L899-K901 PolarHBondContact O-N 2.94Å; L899-Q902 WeakPolarHBondContact O-CA 3.47Å; L899-Q902 WeakPolarHBondContact O-CB 3.37Å; L899-Q902 PolarHBondContact O-N 3.49Å; L899-N903 PolarHBondContact O-N 3.23Å; L899-K904 HydrophobicContact CB-CB 4.14Å; L899-K904 HydrophobicContact CD2-CB 4.21Å; L899-K904 HydrophobicContact CD2-CD 3.48Å; L899-K904 VanDerWaalsContact CD2-CD 3.48Å; L899-K904 WeakPolarHBondContact O-CA 3.28Å; L899-K904 WeakPolarHBondContact O-CB 3.49Å; L899-K904 PolarHBondContact O-N 2.94Å; L899-D907 HydrophobicContact CD1-CB 4.4Å; L899-L911 HydrophobicContact CD1-CD1 3.71Å
900D79.8Confident82.7Confident11 Ų1145 Ų456%0.05922%0.221CC..Hα-helixtrans-56.6-42.4173.6175.467.7000112.1G896 Q902 N903 Y936 K939G896-D900 PolarHBondContact O-N 3.19Å; D900-Q902 VanDerWaalsContact C-N 3.27Å; D900-Q902 PolarHBondContact O-N 2.91Å; D900-N903 PolarHBondContact O-N 2.95Å; D900-Y936 HydrophobicContact CB-CD1 4.27Å; D900-Y936 HydrophobicContact CB-CE1 3.56Å; D900-Y936 WeakPolarHBondContact OD1-CD1 3.36Å; D900-Y936 WeakPolarHBondContact OD1-CE1 3.43Å; D900-K939 IonicContact OD1-NZ 2.76Å; D900-K939 PolarHBondContact OD1-NZ 3.46Å; D900-K939 IonicContact OD2-NZ 2.71Å; D900-K939 PolarHBondContact OD2-NZ 3.26Å
901K79.7Confident83.1Confident81 Ų8142.4 Ų42.435%0.35221%0.207SC..Hα-helixtrans-72.4-12.9175.9-73.4-66.9-174176.90114.8Y867 Y872 L897 I898 L899 N903Y867-K901 HydrophobicContact CE2-CG 3.89Å; Y872-K901 HydrophobicContact CD1-CB 4.01Å; Y872-K901 HydrophobicContact CD2-CB 3.92Å; Y872-K901 HydrophobicContact CE1-CB 3.81Å; Y872-K901 HydrophobicContact CE1-CG 4.23Å; Y872-K901 HydrophobicContact CE2-CB 3.71Å; Y872-K901 HydrophobicContact CG-CB 4.08Å; L897-K901 WeakPolarHBondContact O-CG 3.24Å; L897-K901 PolarHBondContact O-N 2.7Å; L897-K901 VanDerWaalsContact O-N 3.13Å; I898-K901 PolarHBondContact O-N 2.91Å; L899-K901 VanDerWaalsContact C-N 3.3Å; L899-K901 PolarHBondContact O-N 2.94Å; K901-N903 VanDerWaalsContact C-N 3.32Å
902Q82.5Confident83.3Confident40 Ų4041.2 Ų41.219%0.18720%0.202CC..THydrogen-bonded Turntrans-88.86.2166.7-66.8-173.139.100113.3Y872 E876 I898 L899 D900 K904Y872-Q902 VanDerWaalsContact C-NE2 3.32Å; Y872-Q902 HydrophobicContact CD2-CG 4.42Å; Y872-Q902 HydrophobicContact CG-CG 4.37Å; Y872-Q902 PolarHBondContact O-NE2 3.42Å; Y872-Q902 VanDerWaalsContact O-NE2 3.12Å; E876-Q902 PolarHBondContact OE2-NE2 2.89Å; E876-Q902 PolarHBondContact OE2-OE1 2.96Å; I898-Q902 WeakPolarHBondContact O-CG 3.3Å; I898-Q902 PolarHBondContact O-N 3.16Å; I898-Q902 VanDerWaalsContact O-N 3.16Å; L899-Q902 WeakPolarHBondContact O-CA 3.47Å; L899-Q902 WeakPolarHBondContact O-CB 3.37Å; L899-Q902 PolarHBondContact O-N 3.49Å; D900-Q902 VanDerWaalsContact C-N 3.27Å; D900-Q902 PolarHBondContact O-N 2.91Å; Q902-K904 HydrophobicContact CB-CB 4.47Å; Q902-K904 HydrophobicContact CB-CD 4.13Å; Q902-K904 HydrophobicContact CB-CG 4.06Å; Q902-K904 PolarHBondContact O-N 2.59Å
903N77.6Confident83.6Confident146 Ų14643.1 Ų43.178%0.78121%0.212SC*.THydrogen-bonded Turntrans61.310.3-166.3-58.1-28.4000114.5L899 D900 K901 T905L899-N903 PolarHBondContact O-N 3.23Å; D900-N903 PolarHBondContact O-N 2.95Å; K901-N903 VanDerWaalsContact C-N 3.32Å; N903-T905 PolarHBondContact O-N 3.41Å
904K83.2Confident83.6Confident59 Ų5945.4 Ų45.426%0.25722%0.224SC..  trans-78.852.9171.5-66.1174.3173.5164.90110.8E876 L899 Q902 K906 D907 S908E876-K904 IonicContact OE1-NZ 3.63Å; E876-K904 PolarHBondContact OE1-NZ 3.29Å; E876-K904 IonicContact OE2-NZ 2.66Å; E876-K904 PolarHBondContact OE2-NZ 3.29Å; L899-K904 HydrophobicContact CB-CB 4.14Å; L899-K904 HydrophobicContact CD2-CB 4.21Å; L899-K904 HydrophobicContact CD2-CD 3.48Å; L899-K904 VanDerWaalsContact CD2-CD 3.48Å; L899-K904 WeakPolarHBondContact O-CA 3.28Å; L899-K904 WeakPolarHBondContact O-CB 3.49Å; L899-K904 PolarHBondContact O-N 2.94Å; Q902-K904 HydrophobicContact CB-CB 4.47Å; Q902-K904 HydrophobicContact CB-CD 4.13Å; Q902-K904 HydrophobicContact CB-CG 4.06Å; Q902-K904 PolarHBondContact O-N 2.59Å; K904-K906 VanDerWaalsContact C-N 3.32Å; K904-K906 PolarHBondContact O-N 3.31Å; K904-D907 HydrophobicContact CB-CB 4.1Å; K904-D907 PolarHBondContact O-N 3.21Å; K904-S908 WeakPolarHBondContact O-CB 3.12Å; K904-S908 PolarHBondContact O-N 3.34Å; K904-S908 VanDerWaalsContact O-N 3.08Å
905T81.6Confident83.5Confident27 Ų2744.8 Ų44.817%0.16622%0.221CC..Hα-helixtrans-66.1-33.9-173.157.30000112.6N903 I909N903-T905 PolarHBondContact O-N 3.41Å; T905-I909 VanDerWaalsContact O-CG1 3.32Å; T905-I909 WeakPolarHBondContact O-CG1 3.28Å; T905-I909 PolarHBondContact O-N 2.94Å; T905-I909 VanDerWaalsContact O-N 3.1Å
906K84.5Confident83.3Confident141 Ų14146 Ų4661%0.61323%0.227SC*.Hα-helixtrans-65.9-51.6175.7-64.4-177.8-179.8179.40111.4K904 S908 I909 E910 I940K904-K906 VanDerWaalsContact C-N 3.32Å; K904-K906 PolarHBondContact O-N 3.31Å; K906-S908 PolarHBondContact O-N 2.9Å; K906-I909 WeakPolarHBondContact O-CA 3.48Å; K906-I909 WeakPolarHBondContact O-CB 3.5Å; K906-I909 PolarHBondContact O-N 3.45Å; K906-E910 PolarHBondContact O-N 3.49Å; K906-I940 HydrophobicContact CG-CD1 4.35Å
907D84.8Confident83.2Confident82 Ų8253.1 Ų53.144%0.43926%0.258SS..Hα-helixtrans-56.2-40.7177.8-42.914.1000110.9L899 K904 E910 L911L899-D907 HydrophobicContact CD1-CB 4.4Å; K904-D907 HydrophobicContact CB-CB 4.1Å; K904-D907 PolarHBondContact O-N 3.21Å; D907-E910 PolarHBondContact O-N 3.47Å; D907-L911 WeakPolarHBondContact O-CB 3.45Å; D907-L911 PolarHBondContact O-N 3.42Å
908S84.9Confident83Confident0 Ų058.6 Ų58.60%028%0.283CS..Hα-helixtrans-62.6-43.7174.7-169.90000112.8G896 K904 K906 L911 L912 Y936G896-S908 VanDerWaalsContact C-OG 3.23Å; G896-S908 VanDerWaalsContact CA-OG 3.24Å; G896-S908 WeakPolarHBondContact CA-OG 3.43Å; G896-S908 PolarHBondContact O-OG 3.18Å; K904-S908 WeakPolarHBondContact O-CB 3.12Å; K904-S908 PolarHBondContact O-N 3.34Å; K904-S908 VanDerWaalsContact O-N 3.08Å; K906-S908 PolarHBondContact O-N 2.9Å; S908-L911 PolarHBondContact O-N 2.95Å; S908-L912 WeakPolarHBondContact O-CB 3.5Å; S908-L912 WeakPolarHBondContact O-CG 3.41Å; S908-L912 PolarHBondContact O-N 3.27Å; S908-Y936 WeakPolarHBondContact OG-CE2 3.45Å
909I86.2Confident82.3Confident13 Ų1360 Ų607%0.06729%0.29CS..Hα-helixtrans-62.8-46175.6-72168.6000110.8T905 K906 L911 L912 I913 L933 Y936 Y937 I940T905-I909 VanDerWaalsContact O-CG1 3.32Å; T905-I909 WeakPolarHBondContact O-CG1 3.28Å; T905-I909 PolarHBondContact O-N 2.94Å; T905-I909 VanDerWaalsContact O-N 3.1Å; K906-I909 WeakPolarHBondContact O-CA 3.48Å; K906-I909 WeakPolarHBondContact O-CB 3.5Å; K906-I909 PolarHBondContact O-N 3.45Å; I909-L911 PolarHBondContact O-N 3.01Å; I909-L912 PolarHBondContact O-N 2.73Å; I909-I913 HydrophobicContact CG2-CD1 3.56Å; I909-I913 HydrophobicContact CG2-CG1 4.36Å; I909-I913 WeakPolarHBondContact O-CB 3.43Å; I909-I913 VanDerWaalsContact O-CG1 3.25Å; I909-I913 WeakPolarHBondContact O-CG1 3.39Å; I909-I913 PolarHBondContact O-N 3.05Å; I909-L933 HydrophobicContact CB-CD2 4.18Å; I909-L933 HydrophobicContact CG1-CD2 4.06Å; I909-L933 HydrophobicContact CG2-CD2 4.01Å; I909-Y936 HydrophobicContact CG1-CD2 3.96Å; I909-Y936 HydrophobicContact CG1-CG 4.37Å; I909-Y937 HydrophobicContact CD1-CD1 3.97Å; I909-Y937 HydrophobicContact CD1-CE1 3.97Å; I909-Y937 HydrophobicContact CG2-CE1 4.08Å; I909-I940 HydrophobicContact CD1-CD1 3.46Å; I909-I940 VanDerWaalsContact CD1-CD1 3.46Å
910E87Confident81.8Confident128 Ų12871.7 Ų71.760%0.59833%0.334SS*.Hα-helixtrans-62.4-43.2178.2-70.4-173.5-16600112.1K906 D907 I913 N914K906-E910 PolarHBondContact O-N 3.49Å; D907-E910 PolarHBondContact O-N 3.47Å; E910-I913 PolarHBondContact O-N 3.2Å; E910-N914 WeakPolarHBondContact O-CB 3.39Å; E910-N914 VanDerWaalsContact O-CG 3.24Å; E910-N914 PolarHBondContact O-N 3.41Å; E910-N914 PolarHBondContact O-ND2 3.09Å
911L85.8Confident81.4Confident41 Ų4171.9 Ų71.922%0.21534%0.336CS..Hα-helixtrans-58.7-49.3175.5-172.6159.7000111.5T892 L895 L899 D907 S908 I909 N914 S915T892-L911 WeakPolarHBondContact O-CD2 3.49Å; L895-L911 HydrophobicContact CB-CD1 4.3Å; L895-L911 HydrophobicContact CD2-CD1 3.66Å; L895-L911 HydrophobicContact CG-CD1 3.7Å; L899-L911 HydrophobicContact CD1-CD1 3.71Å; D907-L911 WeakPolarHBondContact O-CB 3.45Å; D907-L911 PolarHBondContact O-N 3.42Å; S908-L911 PolarHBondContact O-N 2.95Å; I909-L911 PolarHBondContact O-N 3.01Å; L911-N914 PolarHBondContact O-N 3.1Å; L911-S915 PolarHBondContact O-N 3.1Å
912L84.7Confident81.4Confident0 Ų071.1 Ų71.10%034%0.338CS..Hα-helixtrans-69.5-32.6-179.2-70.5-173.9000113.3L893 S908 I909 S915 L916 I929 H932 L933 Y936L893-L912 HydrophobicContact CD1-CD2 4.22Å; S908-L912 WeakPolarHBondContact O-CB 3.5Å; S908-L912 WeakPolarHBondContact O-CG 3.41Å; S908-L912 PolarHBondContact O-N 3.27Å; I909-L912 PolarHBondContact O-N 2.73Å; L912-S915 PolarHBondContact O-OG 3.22Å; L912-L916 WeakPolarHBondContact O-CG 3.18Å; L912-L916 PolarHBondContact O-N 3.1Å; L912-L916 VanDerWaalsContact O-N 3.13Å; L912-I929 HydrophobicContact CB-CG2 3.91Å; L912-I929 HydrophobicContact CD1-CG2 4.34Å; L912-I929 HydrophobicContact CD2-CG1 4.26Å; L912-I929 HydrophobicContact CD2-CG2 4.44Å; L912-I929 HydrophobicContact CG-CG2 4.46Å; L912-H932 HydrophobicContact CD1-CB 4.21Å; L912-L933 HydrophobicContact CB-CD2 3.85Å; L912-L933 HydrophobicContact CB-CG 4.19Å; L912-L933 HydrophobicContact CD1-CD2 4.29Å; L912-L933 HydrophobicContact CD1-CG 4.34Å; L912-Y936 HydrophobicContact CD1-CD2 4.37Å; L912-Y936 HydrophobicContact CD1-CE2 3.71Å
913I86Confident81.3Confident51 Ų5176.8 Ų76.826%0.26236%0.362SS..Hα-helixtrans-68-37.6171.8-73169.6000110.9I909 E910 K917 L933I909-I913 HydrophobicContact CG2-CD1 3.56Å; I909-I913 HydrophobicContact CG2-CG1 4.36Å; I909-I913 WeakPolarHBondContact O-CB 3.43Å; I909-I913 VanDerWaalsContact O-CG1 3.25Å; I909-I913 WeakPolarHBondContact O-CG1 3.39Å; I909-I913 PolarHBondContact O-N 3.05Å; E910-I913 PolarHBondContact O-N 3.2Å; I913-K917 WeakPolarHBondContact O-CG 2.99Å; I913-K917 PolarHBondContact O-N 3.31Å; I913-L933 HydrophobicContact CG1-CD1 4.32Å; I913-L933 HydrophobicContact CG1-CD2 4.3Å
914N83.8Confident81.4Confident65 Ų6573 Ų7335%0.34835%0.347SS..Hα-helixtrans-75.6-36178.6-70-27.6000112.2E910 L911 L916 K917 Q918E910-N914 WeakPolarHBondContact O-CB 3.39Å; E910-N914 VanDerWaalsContact O-CG 3.24Å; E910-N914 PolarHBondContact O-N 3.41Å; E910-N914 PolarHBondContact O-ND2 3.09Å; L911-N914 PolarHBondContact O-N 3.1Å; N914-L916 PolarHBondContact O-N 3.36Å; N914-K917 PolarHBondContact O-N 2.97Å; N914-K917 VanDerWaalsContact O-N 3.13Å; N914-K917 PolarHBondContact OD1-NZ 3.4Å; N914-K917 VanDerWaalsContact OD1-NZ 3.08Å; N914-Q918 WeakPolarHBondContact O-CG 3.45Å; N914-Q918 PolarHBondContact O-N 2.86Å
915S80.1Confident81.3Confident6 Ų672.6 Ų72.64%0.04235%0.346CS..Hα-helixtrans-64.7-37.7172.975.70000112L911 L912 K917 Q918 L919L911-S915 PolarHBondContact O-N 3.1Å; L912-S915 PolarHBondContact O-OG 3.22Å; S915-K917 VanDerWaalsContact C-N 3.25Å; S915-K917 PolarHBondContact O-N 2.65Å; S915-Q918 PolarHBondContact O-N 3.17Å; S915-L919 WeakPolarHBondContact O-CB 3.35Å; S915-L919 PolarHBondContact O-N 2.92Å
916L81.1Confident81.4Confident28 Ų2874.2 Ų74.215%0.14735%0.351CS..Hα-helixtrans-60.9-27.7171.7-80.6173.8000114.4L912 N914 K926 I929 Y930 L933L912-L916 WeakPolarHBondContact O-CG 3.18Å; L912-L916 PolarHBondContact O-N 3.1Å; L912-L916 VanDerWaalsContact O-N 3.13Å; N914-L916 PolarHBondContact O-N 3.36Å; L916-K926 HydrophobicContact CD2-CB 4.44Å; L916-K926 HydrophobicContact CD2-CG 4.09Å; L916-I929 HydrophobicContact CD1-CG2 3.65Å; L916-I929 HydrophobicContact CD2-CB 4.31Å; L916-I929 HydrophobicContact CD2-CD1 3.96Å; L916-I929 HydrophobicContact CD2-CG2 4.24Å; L916-I929 HydrophobicContact CG-CB 4.41Å; L916-I929 HydrophobicContact CG-CD1 4.04Å; L916-I929 HydrophobicContact CG-CG2 3.81Å; L916-Y930 HydrophobicContact CD1-CD1 4.48Å; L916-Y930 HydrophobicContact CD1-CE1 3.92Å; L916-Y930 HydrophobicContact CD1-CE2 4.26Å; L916-Y930 HydrophobicContact CD2-CE2 4.42Å; L916-L933 HydrophobicContact CD1-CD1 3.95Å
917K81Confident81.4Confident149 Ų14967.5 Ų67.565%0.64832%0.321SS*.Hα-helixtrans-83.2-35.9176-65.8167.2-167.1163.10112.5I913 N914 S915I913-K917 WeakPolarHBondContact O-CG 2.99Å; I913-K917 PolarHBondContact O-N 3.31Å; N914-K917 PolarHBondContact O-N 2.97Å; N914-K917 VanDerWaalsContact O-N 3.13Å; N914-K917 PolarHBondContact OD1-NZ 3.4Å; N914-K917 VanDerWaalsContact OD1-NZ 3.08Å; S915-K917 VanDerWaalsContact C-N 3.25Å; S915-K917 PolarHBondContact O-N 2.65Å
918Q77.5Confident81.3Confident153 Ų15366.4 Ų66.472%0.71531%0.314SS*.Hα-helixtrans-93.5-31.6-170.8-68.6176-9.400113.7N914 S915N914-Q918 WeakPolarHBondContact O-CG 3.45Å; N914-Q918 PolarHBondContact O-N 2.86Å; S915-Q918 PolarHBondContact O-N 3.17Å
919L71.2Confident81.3Confident29 Ų2966.4 Ų66.415%0.15231%0.314CS..  trans-99142.5-171.1-61.8-179.4000114P887 T892 S915 C921P887-L919 HydrophobicContact CB-CD2 3.96Å; P887-L919 HydrophobicContact CG-CD2 3.95Å; P887-L919 WeakPolarHBondContact O-CD2 3.17Å; T892-L919 HydrophobicContact CG2-CD1 4.14Å; S915-L919 WeakPolarHBondContact O-CB 3.35Å; S915-L919 PolarHBondContact O-N 2.92Å; L919-C921 WeakPolarHBondContact CB-SG 3.43Å; L919-C921 PolarHBondContact O-N 2.95Å
920R74.7Confident81.5Confident256 Ų25668.6 Ų68.697%0.96632%0.321SS*.  trans-79.954.8172.2-68-173.6174.9-172.5-0.5111.7
921C70.9Confident81.4Confident14 Ų1463.1 Ų63.110%0.09530%0.297CS..  trans-65.4144.5-177.5-46.50000112.6F889 L919 E925 K926F889-C921 HydrophobicContact CD2-CB 4.29Å; L919-C921 WeakPolarHBondContact CB-SG 3.43Å; L919-C921 PolarHBondContact O-N 2.95Å; C921-E925 WeakPolarHBondContact CA-OE2 3.48Å; C921-E925 HydrophobicContact CB-CB 3.82Å; C921-E925 WeakPolarHBondContact CB-OE2 3.44Å; C921-K926 HydrophobicContact CB-CD 4.49Å; C921-K926 HydrophobicContact CB-CG 3.7Å; C921-K926 WeakPolarHBondContact O-CE 3.25Å
922T81Confident81.3Confident66 Ų6661.8 Ų61.841%0.40529%0.289SS..  trans-68.7169.5171.769.50000112.4S924 E925 K926T922-S924 VanDerWaalsContact C-N 3.32Å; T922-S924 PolarHBondContact O-N 3.14Å; T922-S924 PolarHBondContact OG1-OG 2.96Å; T922-E925 VanDerWaalsContact CB-OE1 3.29Å; T922-E925 WeakPolarHBondContact CB-OE1 3.47Å; T922-E925 WeakPolarHBondContact CG2-OE1 3.28Å; T922-E925 PolarHBondContact N-OE2 3.43Å; T922-E925 PolarHBondContact O-N 3.01Å; T922-E925 VanDerWaalsContact OG1-CG 3.28Å; T922-E925 WeakPolarHBondContact OG1-CG 3.25Å; T922-E925 PolarHBondContact OG1-N 3.19Å; T922-E925 PolarHBondContact OG1-OE1 3.14Å; T922-K926 WeakPolarHBondContact O-CG 2.99Å; T922-K926 PolarHBondContact O-N 3.48Å
923K80.5Confident81.5Confident158 Ų15862 Ų6269%0.68729%0.29SS*.Hα-helixtrans-60.7-39.5179.3-70.6-173.3178.1-176.40112.7A927 Y956K923-A927 PolarHBondContact O-N 3.35Å; K923-Y956 HydrophobicContact CB-CD1 4.17Å; K923-Y956 HydrophobicContact CG-CD1 4.2Å
924S79.5Confident81.6Confident66 Ų6659.6 Ų59.646%0.46228%0.278SS..Hα-helixtrans-63-45174.924.90000112.1T922 A927 E928T922-S924 VanDerWaalsContact C-N 3.32Å; T922-S924 PolarHBondContact O-N 3.14Å; T922-S924 PolarHBondContact OG1-OG 2.96Å; S924-A927 WeakPolarHBondContact O-CB 3.47Å; S924-A927 PolarHBondContact O-N 3.44Å; S924-E928 PolarHBondContact O-N 3.49Å
925E81.2Confident81.6Confident52 Ų5258.8 Ų58.824%0.24327%0.272CS..Hα-helixtrans-64.2-44.8177.9-72.9158-132.500111.9F889 C921 T922 A927 E928 I929F889-E925 HydrophobicContact CB-CG 4.48Å; F889-E925 HydrophobicContact CD1-CB 4.08Å; F889-E925 HydrophobicContact CD1-CG 3.61Å; F889-E925 HydrophobicContact CD2-CB 3.63Å; F889-E925 HydrophobicContact CD2-CG 3.98Å; F889-E925 HydrophobicContact CE1-CB 3.93Å; F889-E925 HydrophobicContact CE1-CG 3.75Å; F889-E925 HydrophobicContact CE2-CB 3.41Å; F889-E925 VanDerWaalsContact CE2-CB 3.41Å; F889-E925 HydrophobicContact CE2-CG 4.07Å; F889-E925 WeakPolarHBondContact CE2-O 3.47Å; F889-E925 HydrophobicContact CG-CB 3.94Å; F889-E925 HydrophobicContact CG-CG 3.74Å; F889-E925 VanDerWaalsContact CZ-CA 3.47Å; F889-E925 HydrophobicContact CZ-CB 3.6Å; F889-E925 HydrophobicContact CZ-CG 3.98Å; F889-E925 WeakPolarHBondContact CZ-O 3.28Å; C921-E925 WeakPolarHBondContact CA-OE2 3.48Å; C921-E925 HydrophobicContact CB-CB 3.82Å; C921-E925 WeakPolarHBondContact CB-OE2 3.44Å; T922-E925 VanDerWaalsContact CB-OE1 3.29Å; T922-E925 WeakPolarHBondContact CB-OE1 3.47Å; T922-E925 WeakPolarHBondContact CG2-OE1 3.28Å; T922-E925 PolarHBondContact N-OE2 3.43Å; T922-E925 PolarHBondContact O-N 3.01Å; T922-E925 VanDerWaalsContact OG1-CG 3.28Å; T922-E925 WeakPolarHBondContact OG1-CG 3.25Å; T922-E925 PolarHBondContact OG1-N 3.19Å; T922-E925 PolarHBondContact OG1-OE1 3.14Å; E925-A927 VanDerWaalsContact C-N 3.31Å; E925-A927 PolarHBondContact O-N 3.04Å; E925-E928 PolarHBondContact O-N 3.16Å; E925-E928 VanDerWaalsContact O-N 3.14Å; E925-I929 PolarHBondContact O-N 3.45Å; E925-I929 VanDerWaalsContact O-N 3.11Å
926K83.1Confident81.9Confident60 Ų6058.6 Ų58.626%0.26127%0.27SS..Hα-helixtrans-61.4-39.7175-68.3-167.2179.1-163.40111.8L916 C921 T922 Y930 Y956L916-K926 HydrophobicContact CD2-CB 4.44Å; L916-K926 HydrophobicContact CD2-CG 4.09Å; C921-K926 HydrophobicContact CB-CD 4.49Å; C921-K926 HydrophobicContact CB-CG 3.7Å; C921-K926 WeakPolarHBondContact O-CE 3.25Å; T922-K926 WeakPolarHBondContact O-CG 2.99Å; T922-K926 PolarHBondContact O-N 3.48Å; K926-Y930 WeakPolarHBondContact O-CD2 3.21Å; K926-Y930 PolarHBondContact O-N 3.03Å; K926-Y956 HydrophobicContact CB-CD2 4.35Å; K926-Y956 HydrophobicContact CB-CE2 4.17Å
927A84.3Confident82.2Confident0 Ų059.4 Ų59.40%027%0.272CS..Hα-helixtrans-56.2-53.3171.100000110.7K923 S924 E925 I929 Y930 N931 F953 N957K923-A927 PolarHBondContact O-N 3.35Å; S924-A927 WeakPolarHBondContact O-CB 3.47Å; S924-A927 PolarHBondContact O-N 3.44Å; E925-A927 VanDerWaalsContact C-N 3.31Å; E925-A927 PolarHBondContact O-N 3.04Å; A927-I929 VanDerWaalsContact C-N 3.35Å; A927-I929 PolarHBondContact O-N 2.94Å; A927-Y930 WeakPolarHBondContact O-CA 3.31Å; A927-Y930 PolarHBondContact O-N 3.41Å; A927-N931 PolarHBondContact O-N 3.16Å; A927-F953 HydrophobicContact CB-CD2 3.9Å; A927-F953 HydrophobicContact CB-CE2 3.75Å; A927-F953 HydrophobicContact CB-CG 4.45Å; A927-F953 HydrophobicContact CB-CZ 4.22Å; A927-F953 WeakPolarHBondContact O-CD2 3.44Å; A927-F953 WeakPolarHBondContact O-CE2 3.48Å; A927-N957 HydrophobicContact CB-CB 4.05Å
928E83.1Confident82.2Confident59 Ų5952.3 Ų52.328%0.27624%0.241SC..Hα-helixtrans-61.2-38.4-174.8-70.2-175.2167.100113.3F889 L893 S924 E925 Y930 N931 H932F889-E928 HydrophobicContact CZ-CB 4.31Å; L893-E928 HydrophobicContact CD2-CB 4.5Å; S924-E928 PolarHBondContact O-N 3.49Å; E925-E928 PolarHBondContact O-N 3.16Å; E925-E928 VanDerWaalsContact O-N 3.14Å; E928-Y930 PolarHBondContact O-N 3.34Å; E928-N931 WeakPolarHBondContact O-CB 3.47Å; E928-N931 PolarHBondContact O-N 2.94Å; E928-H932 PolarHBondContact O-CD2 3.21Å; E928-H932 PolarHBondContact O-N 3.38Å
929I85.1Confident82.1Confident0 Ų049.8 Ų49.80%023%0.228CC..Hα-helixtrans-58.9-47.3170.2-70.5171.6000111.7F889 L893 L912 L916 E925 A927 N931 H932 L933F889-I929 HydrophobicContact CD2-CD1 4.04Å; F889-I929 HydrophobicContact CE2-CD1 3.46Å; F889-I929 VanDerWaalsContact CE2-CD1 3.46Å; F889-I929 HydrophobicContact CE2-CG1 3.56Å; F889-I929 HydrophobicContact CZ-CD1 4.45Å; F889-I929 HydrophobicContact CZ-CG1 4.08Å; L893-I929 HydrophobicContact CD1-CG1 4.03Å; L912-I929 HydrophobicContact CB-CG2 3.91Å; L912-I929 HydrophobicContact CD1-CG2 4.34Å; L912-I929 HydrophobicContact CD2-CG1 4.26Å; L912-I929 HydrophobicContact CD2-CG2 4.44Å; L912-I929 HydrophobicContact CG-CG2 4.46Å; L916-I929 HydrophobicContact CD1-CG2 3.65Å; L916-I929 HydrophobicContact CD2-CB 4.31Å; L916-I929 HydrophobicContact CD2-CD1 3.96Å; L916-I929 HydrophobicContact CD2-CG2 4.24Å; L916-I929 HydrophobicContact CG-CB 4.41Å; L916-I929 HydrophobicContact CG-CD1 4.04Å; L916-I929 HydrophobicContact CG-CG2 3.81Å; E925-I929 PolarHBondContact O-N 3.45Å; E925-I929 VanDerWaalsContact O-N 3.11Å; A927-I929 VanDerWaalsContact C-N 3.35Å; A927-I929 PolarHBondContact O-N 2.94Å; I929-N931 VanDerWaalsContact C-N 3.26Å; I929-N931 PolarHBondContact O-N 3.24Å; I929-H932 PolarHBondContact O-N 2.7Å; I929-H932 VanDerWaalsContact O-N 3.09Å; I929-L933 HydrophobicContact CG2-CD1 3.71Å; I929-L933 HydrophobicContact CG2-CG 3.99Å; I929-L933 PolarHBondContact O-N 2.89Å
930Y89.2Confident82.5Confident59 Ų5951.9 Ų51.923%0.23124%0.238CC..Hα-helixtrans-64.7-27.5179.7-77.6-58.8000113.4L916 K926 A927 E928 L933 G934 A949 T952 Y956L916-Y930 HydrophobicContact CD1-CD1 4.48Å; L916-Y930 HydrophobicContact CD1-CE1 3.92Å; L916-Y930 HydrophobicContact CD1-CE2 4.26Å; L916-Y930 HydrophobicContact CD2-CE2 4.42Å; K926-Y930 WeakPolarHBondContact O-CD2 3.21Å; K926-Y930 PolarHBondContact O-N 3.03Å; A927-Y930 WeakPolarHBondContact O-CA 3.31Å; A927-Y930 PolarHBondContact O-N 3.41Å; E928-Y930 PolarHBondContact O-N 3.34Å; Y930-L933 HydrophobicContact CD1-CD1 4.1Å; Y930-L933 HydrophobicContact CE1-CD1 4.35Å; Y930-G934 PolarHBondContact O-N 2.99Å; Y930-A949 HydrophobicContact CD1-CB 4.39Å; Y930-T952 WeakPolarHBondContact CD1-OG1 3.25Å; Y930-Y956 HydrophobicContact CD2-CD2 4.29Å; Y930-Y956 AromaticContact CD2-CE2 3.98Å; Y930-Y956 HydrophobicContact CD2-CE2 3.98Å; Y930-Y956 AromaticContact CE2-CE2 3.87Å; Y930-Y956 HydrophobicContact CE2-CE2 3.87Å
931N85.3Confident82.5Confident14 Ų1441.3 Ų41.38%0.07521%0.209CC..Hα-helixtrans-63.2-44.9170.2-170.826.3000111.7A927 E928 I929 Q935 F953 H962A927-N931 PolarHBondContact O-N 3.16Å; E928-N931 WeakPolarHBondContact O-CB 3.47Å; E928-N931 PolarHBondContact O-N 2.94Å; I929-N931 VanDerWaalsContact C-N 3.26Å; I929-N931 PolarHBondContact O-N 3.24Å; N931-Q935 PolarHBondContact ND2-NE2 3.37Å; N931-Q935 WeakPolarHBondContact O-CG 3.27Å; N931-Q935 PolarHBondContact O-N 2.97Å; N931-Q935 VanDerWaalsContact O-N 3.15Å; N931-Q935 PolarHBondContact O-NE2 2.95Å; N931-Q935 PolarHBondContact OD1-NE2 3.4Å; N931-F953 HydrophobicContact CB-CD2 3.61Å; N931-F953 HydrophobicContact CB-CE2 3.72Å; N931-H962 PolarHBondContact ND2-NE2 2.93Å; N931-H962 PolarHBondContact OD1-NE2 3.13Å
932H84.9Confident83.1Confident13 Ų1343.9 Ų43.96%0.0622%0.222CC..Hα-helixtrans-74.5-43.3-178.5-73.3-69.2000112L912 E928 I929 G934 Q935 Y936L912-H932 HydrophobicContact CD1-CB 4.21Å; E928-H932 PolarHBondContact O-CD2 3.21Å; E928-H932 PolarHBondContact O-N 3.38Å; I929-H932 PolarHBondContact O-N 2.7Å; I929-H932 VanDerWaalsContact O-N 3.09Å; H932-G934 VanDerWaalsContact C-N 3.29Å; H932-G934 PolarHBondContact O-N 2.7Å; H932-Q935 PolarHBondContact O-N 3Å; H932-Y936 HydrophobicContact CB-CE2 4.14Å; H932-Y936 WeakPolarHBondContact O-CD1 3.33Å; H932-Y936 WeakPolarHBondContact O-CD2 3.4Å; H932-Y936 PolarHBondContact O-N 3.15Å
933L88.4Confident83.3Confident4 Ų442 Ų422%0.02121%0.208CC..Hα-helixtrans-54.7-44.7170.3-74.7176.6000111.7I909 L912 I913 L916 I929 Y930 Q935 Y936 Y937 A949I909-L933 HydrophobicContact CB-CD2 4.18Å; I909-L933 HydrophobicContact CG1-CD2 4.06Å; I909-L933 HydrophobicContact CG2-CD2 4.01Å; L912-L933 HydrophobicContact CB-CD2 3.85Å; L912-L933 HydrophobicContact CB-CG 4.19Å; L912-L933 HydrophobicContact CD1-CD2 4.29Å; L912-L933 HydrophobicContact CD1-CG 4.34Å; I913-L933 HydrophobicContact CG1-CD1 4.32Å; I913-L933 HydrophobicContact CG1-CD2 4.3Å; L916-L933 HydrophobicContact CD1-CD1 3.95Å; I929-L933 HydrophobicContact CG2-CD1 3.71Å; I929-L933 HydrophobicContact CG2-CG 3.99Å; I929-L933 PolarHBondContact O-N 2.89Å; Y930-L933 HydrophobicContact CD1-CD1 4.1Å; Y930-L933 HydrophobicContact CE1-CD1 4.35Å; L933-Q935 PolarHBondContact O-N 3.12Å; L933-Y936 PolarHBondContact O-N 3.17Å; L933-Y937 HydrophobicContact CB-CD2 4.4Å; L933-Y937 HydrophobicContact CB-CE2 4.24Å; L933-Y937 WeakPolarHBondContact O-CB 3.26Å; L933-Y937 WeakPolarHBondContact O-CD2 3.4Å; L933-Y937 PolarHBondContact O-N 3.38Å; L933-A949 HydrophobicContact CB-CB 4.26Å
934G86.9Confident83.5Confident0 Ų037.8 Ų37.80%019%0.192CC..Hα-helixtrans-60.4-45.2176.900000112.9Y930 H932 Y936 Y937 M938 A946Y930-G934 PolarHBondContact O-N 2.99Å; H932-G934 VanDerWaalsContact C-N 3.29Å; H932-G934 PolarHBondContact O-N 2.7Å; G934-Y936 PolarHBondContact O-N 3.46Å; G934-Y937 PolarHBondContact O-N 3.31Å; G934-M938 WeakPolarHBondContact O-CG 3.31Å; G934-M938 PolarHBondContact O-N 3.13Å; G934-A946 WeakPolarHBondContact O-CB 3.37Å
935Q83.9Confident83.9Confident48 Ų4836.2 Ų36.222%0.22418%0.181CC..Hα-helixtrans-63.5-39.6176-70.9166.449.800112.3N931 H932 L933 M938 K939 F950 Y966N931-Q935 PolarHBondContact ND2-NE2 3.37Å; N931-Q935 WeakPolarHBondContact O-CG 3.27Å; N931-Q935 PolarHBondContact O-N 2.97Å; N931-Q935 VanDerWaalsContact O-N 3.15Å; N931-Q935 PolarHBondContact O-NE2 2.95Å; N931-Q935 PolarHBondContact OD1-NE2 3.4Å; H932-Q935 PolarHBondContact O-N 3Å; L933-Q935 PolarHBondContact O-N 3.12Å; Q935-M938 PolarHBondContact O-N 3.09Å; Q935-K939 WeakPolarHBondContact O-CG 3.36Å; Q935-K939 PolarHBondContact O-N 3.37Å; Q935-F950 HydrophobicContact CG-CE1 4.42Å; Q935-F950 HydrophobicContact CG-CZ 4.26Å; Q935-Y966 HydrophobicContact CG-CD2 4.18Å; Q935-Y966 HydrophobicContact CG-CE2 4.07Å
936Y86.7Confident84.2Confident2 Ų233.7 Ų33.71%0.00817%0.169CC..Hα-helixtrans-70.1-38.9177.5-54.7-24.1000112.1G896 D900 S908 I909 L912 H932 L933 G934 K939 I940G896-Y936 PolarHBondContact O-OH 2.88Å; D900-Y936 HydrophobicContact CB-CD1 4.27Å; D900-Y936 HydrophobicContact CB-CE1 3.56Å; D900-Y936 WeakPolarHBondContact OD1-CD1 3.36Å; D900-Y936 WeakPolarHBondContact OD1-CE1 3.43Å; S908-Y936 WeakPolarHBondContact OG-CE2 3.45Å; I909-Y936 HydrophobicContact CG1-CD2 3.96Å; I909-Y936 HydrophobicContact CG1-CG 4.37Å; L912-Y936 HydrophobicContact CD1-CD2 4.37Å; L912-Y936 HydrophobicContact CD1-CE2 3.71Å; H932-Y936 HydrophobicContact CB-CE2 4.14Å; H932-Y936 WeakPolarHBondContact O-CD1 3.33Å; H932-Y936 WeakPolarHBondContact O-CD2 3.4Å; H932-Y936 PolarHBondContact O-N 3.15Å; L933-Y936 PolarHBondContact O-N 3.17Å; G934-Y936 PolarHBondContact O-N 3.46Å; Y936-K939 WeakPolarHBondContact O-CB 3.42Å; Y936-K939 PolarHBondContact O-N 2.88Å; Y936-I940 WeakPolarHBondContact O-CG1 3.46Å; Y936-I940 PolarHBondContact O-N 3.44Å
937Y87.6Confident84.5Confident45 Ų4532 Ų3218%0.17616%0.163CC..Hα-helixtrans-64.2-39.2173.1-75-51.3000112.2I909 L933 G934 I940 G941 N942 S945 A949I909-Y937 HydrophobicContact CD1-CD1 3.97Å; I909-Y937 HydrophobicContact CD1-CE1 3.97Å; I909-Y937 HydrophobicContact CG2-CE1 4.08Å; L933-Y937 HydrophobicContact CB-CD2 4.4Å; L933-Y937 HydrophobicContact CB-CE2 4.24Å; L933-Y937 WeakPolarHBondContact O-CB 3.26Å; L933-Y937 WeakPolarHBondContact O-CD2 3.4Å; L933-Y937 PolarHBondContact O-N 3.38Å; G934-Y937 PolarHBondContact O-N 3.31Å; Y937-I940 PolarHBondContact O-N 2.99Å; Y937-G941 PolarHBondContact O-N 3.26Å; Y937-N942 HydrophobicContact CD1-CB 4.29Å; Y937-N942 PolarHBondContact O-N 2.85Å; Y937-S945 VanDerWaalsContact CG-CB 3.46Å; Y937-A949 HydrophobicContact CD2-CB 4.36Å
938M81.3Confident84.7Confident1 Ų137.8 Ų37.81%0.00519%0.19CC..Hα-helixtrans-58.1-48.4169.3-69.8-178.878.400110.9W248 G934 Q935 I940 G941 Y943 A946 F950 Q969 S970W248-M938 HydrophobicContact CH2-CB 3.39Å; W248-M938 HydrophobicContact CH2-CE 4.34Å; W248-M938 HydrophobicContact CZ2-CB 4.31Å; W248-M938 HydrophobicContact CZ2-CE 4.23Å; W248-M938 VanDerWaalsContact CZ3-C 3.44Å; W248-M938 HydrophobicContact CZ3-CB 3.86Å; W248-M938 WeakPolarHBondContact CZ3-O 3.17Å; G934-M938 WeakPolarHBondContact O-CG 3.31Å; G934-M938 PolarHBondContact O-N 3.13Å; Q935-M938 PolarHBondContact O-N 3.09Å; M938-I940 PolarHBondContact O-N 3.3Å; M938-G941 PolarHBondContact O-N 2.89Å; M938-Y943 HydrophobicContact CB-CE1 4.41Å; M938-A946 HydrophobicContact CB-CB 4.49Å; M938-A946 HydrophobicContact CG-CB 3.63Å; M938-F950 HydrophobicContact CG-CE2 3.96Å; M938-F950 HydrophobicContact CG-CZ 4.38Å; M938-F950 HydrophobicContact SD-CE2 3.6Å; M938-F950 HydrophobicContact SD-CZ 3.83Å; M938-Q969 HydrophobicContact CE-CB 3.8Å; M938-S970 VanDerWaalsContact CG-OG 3.27Å; M938-S970 WeakPolarHBondContact CG-OG 3.48Å; M938-S970 PolarHBondContact SD-OG 2.95Å
939K74.4Confident85Confident100 Ų10035.2 Ų35.244%0.43518%0.178SC..Hα-helixtrans-57.1-32.3179.6-77.3-172.6-175.4-174.50113.8W248 D900 Q935 Y936 G941W248-K939 HydrophobicContact CH2-CG 3.95Å; W248-K939 HydrophobicContact CZ3-CB 4.48Å; W248-K939 HydrophobicContact CZ3-CG 4.21Å; D900-K939 IonicContact OD1-NZ 2.76Å; D900-K939 PolarHBondContact OD1-NZ 3.46Å; D900-K939 IonicContact OD2-NZ 2.71Å; D900-K939 PolarHBondContact OD2-NZ 3.26Å; Q935-K939 WeakPolarHBondContact O-CG 3.36Å; Q935-K939 PolarHBondContact O-N 3.37Å; Y936-K939 WeakPolarHBondContact O-CB 3.42Å; Y936-K939 PolarHBondContact O-N 2.88Å; K939-G941 VanDerWaalsContact C-N 3.32Å
940I80.4Confident85.3Confident72 Ų7235.2 Ų35.237%0.36918%0.178SC..THydrogen-bonded Turntrans-84.1-8.1178.6-67.5172.5000112K906 I909 Y936 Y937 M938 N942K906-I940 HydrophobicContact CG-CD1 4.35Å; I909-I940 HydrophobicContact CD1-CD1 3.46Å; I909-I940 VanDerWaalsContact CD1-CD1 3.46Å; Y936-I940 WeakPolarHBondContact O-CG1 3.46Å; Y936-I940 PolarHBondContact O-N 3.44Å; Y937-I940 PolarHBondContact O-N 2.99Å; M938-I940 PolarHBondContact O-N 3.3Å; I940-N942 VanDerWaalsContact C-N 3.3Å; I940-N942 HydrophobicContact CG2-CB 4.49Å
941G74.5Confident85.3Confident35 Ų3534.2 Ų34.236%0.36118%0.179SC..THydrogen-bonded Turntrans81.93-173.500000114.1Y937 M938 K939 Y943Y937-G941 PolarHBondContact O-N 3.26Å; M938-G941 PolarHBondContact O-N 2.89Å; K939-G941 VanDerWaalsContact C-N 3.32Å; G941-Y943 VanDerWaalsContact C-N 3.27Å; G941-Y943 WeakPolarHBondContact O-CD2 3.48Å; G941-Y943 WeakPolarHBondContact O-CE2 3.38Å; G941-Y943 PolarHBondContact O-N 3.16Å
942N83.3Confident85.5Confident67 Ų6735 Ų3536%0.35818%0.184SC..  trans-83.470.4179.4-168.7-29.5000110.7Y937 I940 L944 S945 A946Y937-N942 HydrophobicContact CD1-CB 4.29Å; Y937-N942 PolarHBondContact O-N 2.85Å; I940-N942 VanDerWaalsContact C-N 3.3Å; I940-N942 HydrophobicContact CG2-CB 4.49Å; N942-L944 VanDerWaalsContact C-N 3.29Å; N942-L944 PolarHBondContact O-N 2.66Å; N942-S945 PolarHBondContact ND2-OG 2.9Å; N942-S945 PolarHBondContact O-N 2.75Å; N942-S945 WeakPolarHBondContact OD1-CB 3.48Å; N942-S945 PolarHBondContact OD1-N 3.33Å; N942-S945 VanDerWaalsContact OD1-N 3.1Å; N942-S945 PolarHBondContact OD1-OG 3.03Å; N942-A946 PolarHBondContact O-N 2.86Å
943Y84.7Confident85.7Confident28 Ų2834.6 Ų34.611%0.1118%0.182CC..Hα-helixtrans-64.6-29-173.5-60.1-60.9000113.7M938 G941 A946 I947 R973 L977M938-Y943 HydrophobicContact CB-CE1 4.41Å; G941-Y943 VanDerWaalsContact C-N 3.27Å; G941-Y943 WeakPolarHBondContact O-CD2 3.48Å; G941-Y943 WeakPolarHBondContact O-CE2 3.38Å; G941-Y943 PolarHBondContact O-N 3.16Å; Y943-A946 PolarHBondContact O-N 2.89Å; Y943-I947 VanDerWaalsContact O-CG1 3.25Å; Y943-I947 WeakPolarHBondContact O-CG1 3.39Å; Y943-I947 PolarHBondContact O-N 3.2Å; Y943-R973 HydrophobicContact CD1-CB 4.32Å; Y943-R973 HydrophobicContact CD2-CB 4.12Å; Y943-R973 HydrophobicContact CE1-CB 4.21Å; Y943-R973 VanDerWaalsContact CE1-CD 3.49Å; Y943-R973 HydrophobicContact CE2-CB 3.99Å; Y943-R973 HydrophobicContact CG-CB 4.29Å; Y943-R973 VanDerWaalsContact OH-CD 3.28Å; Y943-R973 WeakPolarHBondContact OH-CD 3.48Å; Y943-R973 PolarHBondContact OH-NH1 3.37Å; Y943-R973 VanDerWaalsContact OH-NH1 3.15Å; Y943-L977 HydrophobicContact CD2-CD1 3.84Å; Y943-L977 HydrophobicContact CE2-CD1 3.96Å
944L86Confident85.7Confident68 Ų6835.6 Ų35.636%0.35619%0.187SC..Hα-helixtrans-59.4-52.5171.7-73.5174.1000111.1N942 A946 I947 H948 L974 P986N942-L944 VanDerWaalsContact C-N 3.29Å; N942-L944 PolarHBondContact O-N 2.66Å; L944-A946 VanDerWaalsContact C-N 3.28Å; L944-A946 PolarHBondContact O-N 3.04Å; L944-I947 PolarHBondContact O-N 3.43Å; L944-H948 PolarHBondContact O-CD2 3.4Å; L944-H948 PolarHBondContact O-N 3.13Å; L944-H948 VanDerWaalsContact O-N 3.07Å; L944-L974 HydrophobicContact CB-CD1 4.48Å; L944-L974 HydrophobicContact CD2-CD1 3.65Å; L944-L974 HydrophobicContact CD2-CD2 4.4Å; L944-L974 HydrophobicContact CG-CD1 3.87Å; L944-P986 HydrophobicContact CD2-CG 4Å
945S87.5Confident85.7Confident33 Ų3342.5 Ų42.523%0.23122%0.219CC..Hα-helixtrans-66.9-32.2-179.1-54.80000112Y937 N942 H948 A949Y937-S945 VanDerWaalsContact CG-CB 3.46Å; N942-S945 PolarHBondContact ND2-OG 2.9Å; N942-S945 PolarHBondContact O-N 2.75Å; N942-S945 WeakPolarHBondContact OD1-CB 3.48Å; N942-S945 PolarHBondContact OD1-N 3.33Å; N942-S945 VanDerWaalsContact OD1-N 3.1Å; N942-S945 PolarHBondContact OD1-OG 3.03Å; S945-H948 PolarHBondContact O-N 3.11Å; S945-A949 WeakPolarHBondContact O-CB 3.4Å; S945-A949 PolarHBondContact O-N 3.19Å
946A88Confident85.8Confident0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-62.2-48.3172.200000112.2G934 M938 N942 Y943 L944 H948 A949 F950G934-A946 WeakPolarHBondContact O-CB 3.37Å; M938-A946 HydrophobicContact CB-CB 4.49Å; M938-A946 HydrophobicContact CG-CB 3.63Å; N942-A946 PolarHBondContact O-N 2.86Å; Y943-A946 PolarHBondContact O-N 2.89Å; L944-A946 VanDerWaalsContact C-N 3.28Å; L944-A946 PolarHBondContact O-N 3.04Å; A946-H948 VanDerWaalsContact C-N 3.34Å; A946-H948 PolarHBondContact O-N 3.18Å; A946-A949 PolarHBondContact O-N 3.41Å; A946-F950 HydrophobicContact CB-CD2 4.49Å; A946-F950 HydrophobicContact CB-CE2 4.13Å; A946-F950 WeakPolarHBondContact O-CD2 3.39Å; A946-F950 WeakPolarHBondContact O-CG 3.36Å; A946-F950 PolarHBondContact O-N 3.35Å
947I87.9Confident85.6Confident24 Ų2446 Ų4612%0.12323%0.234CC..Hα-helixtrans-60.2-44.5177.7-68165.2000110.4Y943 L944 A949 F950 T951 R967 A971 L974 F989Y943-I947 VanDerWaalsContact O-CG1 3.25Å; Y943-I947 WeakPolarHBondContact O-CG1 3.39Å; Y943-I947 PolarHBondContact O-N 3.2Å; L944-I947 PolarHBondContact O-N 3.43Å; I947-A949 PolarHBondContact O-N 3Å; I947-F950 PolarHBondContact O-N 2.97Å; I947-T951 HydrophobicContact CG2-CG2 4.27Å; I947-T951 VanDerWaalsContact O-CG2 3.26Å; I947-T951 WeakPolarHBondContact O-CG2 3.29Å; I947-T951 PolarHBondContact O-N 3.34Å; I947-R967 HydrophobicContact CG2-CG 4.29Å; I947-A971 HydrophobicContact CD1-CB 3.96Å; I947-L974 HydrophobicContact CD1-CD1 3.6Å; I947-F989 HydrophobicContact CD1-CE2 3.76Å; I947-F989 HydrophobicContact CD1-CZ 4.2Å
948H88.8Confident85.4Confident122 Ų12246.4 Ų46.457%0.56524%0.242SC*.Hα-helixtrans-61.6-41.1175.6-71.1-61.5000113.1L944 S945 A946 T951 T952L944-H948 PolarHBondContact O-CD2 3.4Å; L944-H948 PolarHBondContact O-N 3.13Å; L944-H948 VanDerWaalsContact O-N 3.07Å; S945-H948 PolarHBondContact O-N 3.11Å; A946-H948 VanDerWaalsContact C-N 3.34Å; A946-H948 PolarHBondContact O-N 3.18Å; H948-T951 PolarHBondContact O-N 3.04Å; H948-T951 PolarHBondContact O-OG1 3.21Å; H948-T952 PolarHBondContact O-N 3.35Å; H948-T952 VanDerWaalsContact O-N 3.13Å; H948-T952 PolarHBondContact O-OG1 3.43Å; H948-T952 VanDerWaalsContact O-OG1 3.11Å
949A90.4Very high85.4Confident4 Ų452.8 Ų52.83%0.03327%0.271CS..Hα-helixtrans-65-40.8175.100000111.8Y930 L933 Y937 S945 A946 I947 T952 F953Y930-A949 HydrophobicContact CD1-CB 4.39Å; L933-A949 HydrophobicContact CB-CB 4.26Å; Y937-A949 HydrophobicContact CD2-CB 4.36Å; S945-A949 WeakPolarHBondContact O-CB 3.4Å; S945-A949 PolarHBondContact O-N 3.19Å; A946-A949 PolarHBondContact O-N 3.41Å; I947-A949 PolarHBondContact O-N 3Å; A949-T952 PolarHBondContact O-N 2.97Å; A949-T952 PolarHBondContact O-OG1 2.77Å; A949-F953 PolarHBondContact O-N 2.74Å
950F90.2Very high85.6Confident0 Ų050.8 Ų50.80%026%0.261CS..Hα-helixtrans-72.9-29.3176-59.6-48.2000113.8Q935 M938 A946 I947 F953 I954 V963 Y966 R967Q935-F950 HydrophobicContact CG-CE1 4.42Å; Q935-F950 HydrophobicContact CG-CZ 4.26Å; M938-F950 HydrophobicContact CG-CE2 3.96Å; M938-F950 HydrophobicContact CG-CZ 4.38Å; M938-F950 HydrophobicContact SD-CE2 3.6Å; M938-F950 HydrophobicContact SD-CZ 3.83Å; A946-F950 HydrophobicContact CB-CD2 4.49Å; A946-F950 HydrophobicContact CB-CE2 4.13Å; A946-F950 WeakPolarHBondContact O-CD2 3.39Å; A946-F950 WeakPolarHBondContact O-CG 3.36Å; A946-F950 PolarHBondContact O-N 3.35Å; I947-F950 PolarHBondContact O-N 2.97Å; F950-F953 PolarHBondContact O-N 2.87Å; F950-I954 WeakPolarHBondContact O-CD1 3.38Å; F950-I954 VanDerWaalsContact O-CG1 3.31Å; F950-I954 WeakPolarHBondContact O-CG1 3.48Å; F950-I954 PolarHBondContact O-N 2.93Å; F950-I954 VanDerWaalsContact O-N 3.15Å; F950-V963 HydrophobicContact CB-CG1 3.84Å; F950-V963 HydrophobicContact CD1-CG1 3.65Å; F950-V963 HydrophobicContact CG-CG1 4.06Å; F950-Y966 HydrophobicContact CE1-CD2 4.02Å; F950-Y966 HydrophobicContact CE1-CG 4.44Å; F950-Y966 VanDerWaalsContact CZ-CB 3.42Å; F950-Y966 HydrophobicContact CZ-CD2 4.07Å; F950-Y966 HydrophobicContact CZ-CG 4.13Å; F950-R967 HydrophobicContact CB-CB 3.83Å; F950-R967 HydrophobicContact CB-CG 4.18Å; F950-R967 HydrophobicContact CD2-CB 4.36Å; F950-R967 HydrophobicContact CG-CB 4.45Å
951T90.5Very high85.6Confident39 Ų3947.9 Ų47.924%0.23925%0.247CC..Hα-helixtrans-65.3-43.3171.761.70000111.3I947 H948 I954 Q955 R967I947-T951 HydrophobicContact CG2-CG2 4.27Å; I947-T951 VanDerWaalsContact O-CG2 3.26Å; I947-T951 WeakPolarHBondContact O-CG2 3.29Å; I947-T951 PolarHBondContact O-N 3.34Å; H948-T951 PolarHBondContact O-N 3.04Å; H948-T951 PolarHBondContact O-OG1 3.21Å; T951-I954 PolarHBondContact O-N 3.07Å; T951-Q955 WeakPolarHBondContact O-CG 3.39Å; T951-Q955 PolarHBondContact O-N 3.38Å; T951-R967 VanDerWaalsContact CG2-NH1 3.34Å
952T89.4Confident85.8Confident31 Ų3148.1 Ų48.119%0.1924%0.238CC..Hα-helixtrans-68.3-35.1176.953.30000112.4Y930 H948 A949 I954 Q955 Y956Y930-T952 WeakPolarHBondContact CD1-OG1 3.25Å; H948-T952 PolarHBondContact O-N 3.35Å; H948-T952 VanDerWaalsContact O-N 3.13Å; H948-T952 PolarHBondContact O-OG1 3.43Å; H948-T952 VanDerWaalsContact O-OG1 3.11Å; A949-T952 PolarHBondContact O-N 2.97Å; A949-T952 PolarHBondContact O-OG1 2.77Å; T952-I954 PolarHBondContact O-N 3.07Å; T952-Q955 PolarHBondContact O-N 3.04Å; T952-Y956 WeakPolarHBondContact O-CD2 3.45Å
953F89.3Confident85.9Confident4 Ų444.9 Ų44.92%0.01822%0.221CC..Hα-helixtrans-54.7-52.2168.5-177.4-76.5000112A927 N931 A949 F950 Q955 Y956 N957 R960 V963A927-F953 HydrophobicContact CB-CD2 3.9Å; A927-F953 HydrophobicContact CB-CE2 3.75Å; A927-F953 HydrophobicContact CB-CG 4.45Å; A927-F953 HydrophobicContact CB-CZ 4.22Å; A927-F953 WeakPolarHBondContact O-CD2 3.44Å; A927-F953 WeakPolarHBondContact O-CE2 3.48Å; N931-F953 HydrophobicContact CB-CD2 3.61Å; N931-F953 HydrophobicContact CB-CE2 3.72Å; A949-F953 PolarHBondContact O-N 2.74Å; F950-F953 PolarHBondContact O-N 2.87Å; F953-Q955 PolarHBondContact O-N 3.23Å; F953-Y956 PolarHBondContact O-N 3.3Å; F953-N957 HydrophobicContact CE1-CB 3.94Å; F953-N957 WeakPolarHBondContact CE1-O 3.25Å; F953-N957 HydrophobicContact CZ-CB 4.06Å; F953-N957 PolarHBondContact O-N 3.02Å; F953-R960 HydrophobicContact CE1-CB 3.95Å; F953-R960 HydrophobicContact CE1-CG 4.19Å; F953-R960 HydrophobicContact CZ-CB 4.11Å; F953-R960 HydrophobicContact CZ-CG 3.95Å; F953-V963 HydrophobicContact CB-CG1 3.89Å; F953-V963 HydrophobicContact CD1-CB 3.77Å; F953-V963 HydrophobicContact CD1-CG1 3.61Å; F953-V963 HydrophobicContact CD1-CG2 3.6Å; F953-V963 HydrophobicContact CD2-CG2 4.08Å; F953-V963 HydrophobicContact CE1-CB 4.06Å; F953-V963 HydrophobicContact CE1-CG1 4.39Å; F953-V963 HydrophobicContact CE1-CG2 3.55Å; F953-V963 HydrophobicContact CE2-CG2 4.07Å; F953-V963 HydrophobicContact CG-CB 4.26Å; F953-V963 HydrophobicContact CG-CG1 3.75Å; F953-V963 HydrophobicContact CG-CG2 3.91Å; F953-V963 HydrophobicContact CZ-CG2 3.83Å
954I87.2Confident86Confident24 Ų2444.6 Ų44.612%0.12322%0.22CC..Hα-helixtrans-63.9-30.8-173.4-72163.4000111.3F950 T951 T952 Y956 V963 Y964F950-I954 WeakPolarHBondContact O-CD1 3.38Å; F950-I954 VanDerWaalsContact O-CG1 3.31Å; F950-I954 WeakPolarHBondContact O-CG1 3.48Å; F950-I954 PolarHBondContact O-N 2.93Å; F950-I954 VanDerWaalsContact O-N 3.15Å; T951-I954 PolarHBondContact O-N 3.07Å; T952-I954 PolarHBondContact O-N 3.07Å; I954-Y956 VanDerWaalsContact C-N 3.27Å; I954-Y956 PolarHBondContact O-N 3.06Å; I954-V963 HydrophobicContact CD1-CG1 4.26Å; I954-V963 HydrophobicContact CG1-CG1 4.06Å; I954-Y964 HydrophobicContact CD1-CD1 3.78Å; I954-Y964 HydrophobicContact CD1-CD2 4.43Å; I954-Y964 HydrophobicContact CD1-CE1 3.88Å; I954-Y964 HydrophobicContact CD1-CE2 4.5Å; I954-Y964 HydrophobicContact CD1-CG 4.08Å; I954-Y964 HydrophobicContact CG1-CD1 4.49Å; I954-Y964 HydrophobicContact CG1-CE1 4.25Å; I954-Y964 HydrophobicContact CG1-CE2 4.23Å; I954-Y964 HydrophobicContact CG2-CE1 3.93Å; I954-Y964 WeakPolarHBondContact CG2-OH 3.22Å
955Q87.8Confident86Confident146 Ų14641.4 Ų41.468%0.68220%0.203SC*.Hα-helixtrans-64.7-26.6171.9-69.3168.9-5.300113.7T951 T952 F953T951-Q955 WeakPolarHBondContact O-CG 3.39Å; T951-Q955 PolarHBondContact O-N 3.38Å; T952-Q955 PolarHBondContact O-N 3.04Å; F953-Q955 PolarHBondContact O-N 3.23Å
956Y86Confident85.9Confident87 Ų8742.9 Ų42.934%0.34120%0.204SC..Hα-helixtrans-97.9-34.4-180-68-59.6000113.9K923 K926 Y930 T952 F953 I954K923-Y956 HydrophobicContact CB-CD1 4.17Å; K923-Y956 HydrophobicContact CG-CD1 4.2Å; K926-Y956 HydrophobicContact CB-CD2 4.35Å; K926-Y956 HydrophobicContact CB-CE2 4.17Å; Y930-Y956 HydrophobicContact CD2-CD2 4.29Å; Y930-Y956 AromaticContact CD2-CE2 3.98Å; Y930-Y956 HydrophobicContact CD2-CE2 3.98Å; Y930-Y956 AromaticContact CE2-CE2 3.87Å; Y930-Y956 HydrophobicContact CE2-CE2 3.87Å; T952-Y956 WeakPolarHBondContact O-CD2 3.45Å; F953-Y956 PolarHBondContact O-N 3.3Å; I954-Y956 VanDerWaalsContact C-N 3.27Å; I954-Y956 PolarHBondContact O-N 3.06Å
957N82.3Confident85.9Confident36 Ų3644.6 Ų44.619%0.19321%0.211CC..  trans-145.985.7-176.5-170.4-12.2000112.5A927 F953 H959A927-N957 HydrophobicContact CB-CB 4.05Å; F953-N957 HydrophobicContact CE1-CB 3.94Å; F953-N957 WeakPolarHBondContact CE1-O 3.25Å; F953-N957 HydrophobicContact CZ-CB 4.06Å; F953-N957 PolarHBondContact O-N 3.02Å; N957-H959 PolarHBondContact O-N 2.95Å; N957-H959 PolarHBondContact OD1-N 3.21Å
958P83.3Confident85.8Confident53 Ų5343.5 Ų43.534%0.34421%0.205SC..THydrogen-bonded Turntrans-74.9-1.5-17631-36.9000114.6Y964 L1003P958-Y964 WeakPolarHBondContact O-CE2 3.36Å; P958-Y964 PolarHBondContact O-OH 3.36Å; P958-L1003 VanDerWaalsContact O-CD1 3.29Å; P958-L1003 WeakPolarHBondContact O-CD1 3.42Å
959H81.3Confident85.6Confident136 Ų13639.1 Ų39.163%0.6319%0.185SC*.THydrogen-bonded Turntrans-93.33.7-172.1-60.7-58000115N957N957-H959 PolarHBondContact O-N 2.95Å; N957-H959 PolarHBondContact OD1-N 3.21Å
960R78Confident85.3Confident58 Ų5838.9 Ų38.922%0.21918%0.183CC..  trans-102.2107.1-179.2-65.6-67.7-155.9161.97.7111.2F953 H962 V963F953-R960 HydrophobicContact CE1-CB 3.95Å; F953-R960 HydrophobicContact CE1-CG 4.19Å; F953-R960 HydrophobicContact CZ-CB 4.11Å; F953-R960 HydrophobicContact CZ-CG 3.95Å; R960-H962 VanDerWaalsContact C-N 3.3Å; R960-H962 VanDerWaalsContact CB-CE1 3.45Å; R960-H962 WeakPolarHBondContact CB-CE1 3.08Å; R960-H962 WeakPolarHBondContact CD-CE1 3.44Å; R960-H962 VanDerWaalsContact CG-CE1 3.42Å; R960-H962 WeakPolarHBondContact CG-CE1 3.45Å; R960-H962 PolarHBondContact O-N 3.2Å; R960-V963 PolarHBondContact O-N 3.34Å
961P80.8Confident85Confident10 Ų1039.3 Ų39.37%0.06519%0.186CC..Hα-helixtrans-65.9-28.5-173.924.8-34.2000114.1V963 Y964 L965 A1000 L1003 I1004P961-V963 VanDerWaalsContact C-N 3.26Å; P961-V963 PolarHBondContact O-N 3.09Å; P961-Y964 PolarHBondContact O-N 2.95Å; P961-L965 PolarHBondContact O-N 2.95Å; P961-A1000 HydrophobicContact CB-CB 4.36Å; P961-A1000 WeakPolarHBondContact CB-O 3.25Å; P961-L1003 HydrophobicContact CB-CB 3.99Å; P961-L1003 HydrophobicContact CB-CD1 4.49Å; P961-I1004 HydrophobicContact CB-CD1 4.19Å; P961-I1004 HydrophobicContact CB-CG1 3.8Å; P961-I1004 HydrophobicContact CG-CG1 3.88Å
962H79.8Confident84.6Confident40 Ų4037.8 Ų37.819%0.18518%0.178CC..Hα-helixtrans-65.4-25.7-176.266.8-95.1000113.6N931 R960 L965 Y966N931-H962 PolarHBondContact ND2-NE2 2.93Å; N931-H962 PolarHBondContact OD1-NE2 3.13Å; R960-H962 VanDerWaalsContact C-N 3.3Å; R960-H962 VanDerWaalsContact CB-CE1 3.45Å; R960-H962 WeakPolarHBondContact CB-CE1 3.08Å; R960-H962 WeakPolarHBondContact CD-CE1 3.44Å; R960-H962 VanDerWaalsContact CG-CE1 3.42Å; R960-H962 WeakPolarHBondContact CG-CE1 3.45Å; R960-H962 PolarHBondContact O-N 3.2Å; H962-L965 PolarHBondContact O-N 3.25Å; H962-Y966 AromaticContact CD2-CE2 3.7Å; H962-Y966 WeakPolarHBondContact O-CD2 3.46Å; H962-Y966 VanDerWaalsContact O-CG 3.27Å; H962-Y966 PolarHBondContact O-N 3.45Å
963V84.9Confident83.9Confident0 Ų037.4 Ų37.40%017%0.173CC..Hα-helixtrans-77.7-37.3-178.3-178.80000112.3F950 F953 I954 R960 P961 L965 Y966 R967F950-V963 HydrophobicContact CB-CG1 3.84Å; F950-V963 HydrophobicContact CD1-CG1 3.65Å; F950-V963 HydrophobicContact CG-CG1 4.06Å; F953-V963 HydrophobicContact CB-CG1 3.89Å; F953-V963 HydrophobicContact CD1-CB 3.77Å; F953-V963 HydrophobicContact CD1-CG1 3.61Å; F953-V963 HydrophobicContact CD1-CG2 3.6Å; F953-V963 HydrophobicContact CD2-CG2 4.08Å; F953-V963 HydrophobicContact CE1-CB 4.06Å; F953-V963 HydrophobicContact CE1-CG1 4.39Å; F953-V963 HydrophobicContact CE1-CG2 3.55Å; F953-V963 HydrophobicContact CE2-CG2 4.07Å; F953-V963 HydrophobicContact CG-CB 4.26Å; F953-V963 HydrophobicContact CG-CG1 3.75Å; F953-V963 HydrophobicContact CG-CG2 3.91Å; F953-V963 HydrophobicContact CZ-CG2 3.83Å; I954-V963 HydrophobicContact CD1-CG1 4.26Å; I954-V963 HydrophobicContact CG1-CG1 4.06Å; R960-V963 PolarHBondContact O-N 3.34Å; P961-V963 VanDerWaalsContact C-N 3.26Å; P961-V963 PolarHBondContact O-N 3.09Å; V963-L965 VanDerWaalsContact C-N 3.28Å; V963-L965 PolarHBondContact O-N 3.34Å; V963-Y966 PolarHBondContact O-N 2.99Å; V963-R967 WeakPolarHBondContact O-CB 3.47Å; V963-R967 PolarHBondContact O-N 3.32Å
964Y87.2Confident83.4Confident21 Ų2137.5 Ų37.58%0.08217%0.173CC..Hα-helixtrans-59.6-42.8169.8-67.6-91.4000110.6I954 P958 P961 R967 A968 D996 Q999 L1003I954-Y964 HydrophobicContact CD1-CD1 3.78Å; I954-Y964 HydrophobicContact CD1-CD2 4.43Å; I954-Y964 HydrophobicContact CD1-CE1 3.88Å; I954-Y964 HydrophobicContact CD1-CE2 4.5Å; I954-Y964 HydrophobicContact CD1-CG 4.08Å; I954-Y964 HydrophobicContact CG1-CD1 4.49Å; I954-Y964 HydrophobicContact CG1-CE1 4.25Å; I954-Y964 HydrophobicContact CG1-CE2 4.23Å; I954-Y964 HydrophobicContact CG2-CE1 3.93Å; I954-Y964 WeakPolarHBondContact CG2-OH 3.22Å; P958-Y964 WeakPolarHBondContact O-CE2 3.36Å; P958-Y964 PolarHBondContact O-OH 3.36Å; P961-Y964 PolarHBondContact O-N 2.95Å; Y964-R967 PolarHBondContact O-N 3.34Å; Y964-A968 WeakPolarHBondContact O-CB 3.38Å; Y964-A968 PolarHBondContact O-N 3.12Å; Y964-D996 WeakPolarHBondContact CB-O 3.29Å; Y964-D996 HydrophobicContact CD1-CB 4.49Å; Y964-D996 WeakPolarHBondContact CD1-OD1 3.49Å; Y964-Q999 HydrophobicContact CD1-CB 3.71Å; Y964-Q999 HydrophobicContact CD1-CG 4.34Å; Y964-Q999 HydrophobicContact CE1-CB 3.75Å; Y964-Q999 HydrophobicContact CE1-CG 4.08Å; Y964-Q999 HydrophobicContact CG-CB 4.14Å; Y964-L1003 HydrophobicContact CD2-CD1 3.89Å; Y964-L1003 HydrophobicContact CE2-CD1 3.58Å
965L84.8Confident83Confident1 Ų136.7 Ų36.71%0.00517%0.169CC..Hα-helixtrans-60.4-45.9174174.560.8000112.5P961 H962 V963 R967 A968 Q969 I1025 Q1028 T1032P961-L965 PolarHBondContact O-N 2.95Å; H962-L965 PolarHBondContact O-N 3.25Å; V963-L965 VanDerWaalsContact C-N 3.28Å; V963-L965 PolarHBondContact O-N 3.34Å; L965-R967 VanDerWaalsContact C-N 3.35Å; L965-R967 PolarHBondContact O-N 3.45Å; L965-A968 PolarHBondContact O-N 3.08Å; L965-Q969 HydrophobicContact CD1-CG 4.21Å; L965-Q969 WeakPolarHBondContact O-CB 3.43Å; L965-Q969 VanDerWaalsContact O-CG 3.32Å; L965-Q969 WeakPolarHBondContact O-CG 3.2Å; L965-Q969 PolarHBondContact O-N 3.24Å; L965-I1025 HydrophobicContact CD2-CG2 3.94Å; L965-Q1028 HydrophobicContact CD1-CB 4.37Å; L965-Q1028 HydrophobicContact CD2-CB 3.67Å; L965-T1032 HydrophobicContact CD1-CG2 3.9Å
966Y85.5Confident82Confident64 Ų6430.2 Ų30.225%0.25114%0.141SC..Hα-helixtrans-66.8-33.6177.5-60.9-29.2000113Q935 F950 H962 V963 Q969 S970Q935-Y966 HydrophobicContact CG-CD2 4.18Å; Q935-Y966 HydrophobicContact CG-CE2 4.07Å; F950-Y966 HydrophobicContact CE1-CD2 4.02Å; F950-Y966 HydrophobicContact CE1-CG 4.44Å; F950-Y966 VanDerWaalsContact CZ-CB 3.42Å; F950-Y966 HydrophobicContact CZ-CD2 4.07Å; F950-Y966 HydrophobicContact CZ-CG 4.13Å; H962-Y966 AromaticContact CD2-CE2 3.7Å; H962-Y966 WeakPolarHBondContact O-CD2 3.46Å; H962-Y966 VanDerWaalsContact O-CG 3.27Å; H962-Y966 PolarHBondContact O-N 3.45Å; V963-Y966 PolarHBondContact O-N 2.99Å; Y966-Q969 PolarHBondContact O-N 2.93Å; Y966-S970 WeakPolarHBondContact O-CB 3.39Å; Y966-S970 PolarHBondContact O-N 3.4Å; Y966-S970 PolarHBondContact O-OG 2.9Å
967R88.2Confident81.1Confident37 Ų3727.5 Ų27.514%0.1413%0.132CC..Hα-helixtrans-64.6-46.6171.8-167.7166.174.6174.66.1111.4I947 F950 T951 V963 Y964 L965 S970 A971 D996I947-R967 HydrophobicContact CG2-CG 4.29Å; F950-R967 HydrophobicContact CB-CB 3.83Å; F950-R967 HydrophobicContact CB-CG 4.18Å; F950-R967 HydrophobicContact CD2-CB 4.36Å; F950-R967 HydrophobicContact CG-CB 4.45Å; T951-R967 VanDerWaalsContact CG2-NH1 3.34Å; V963-R967 WeakPolarHBondContact O-CB 3.47Å; V963-R967 PolarHBondContact O-N 3.32Å; Y964-R967 PolarHBondContact O-N 3.34Å; L965-R967 VanDerWaalsContact C-N 3.35Å; L965-R967 PolarHBondContact O-N 3.45Å; R967-S970 PolarHBondContact O-N 3.25Å; R967-A971 WeakPolarHBondContact O-CB 3.27Å; R967-A971 PolarHBondContact O-N 2.93Å; R967-D996 WeakPolarHBondContact CB-OD2 3.39Å; R967-D996 WeakPolarHBondContact CG-OD2 3.46Å; R967-D996 IonicContact CZ-OD1 2.63Å; R967-D996 IonicContact CZ-OD2 3.09Å; R967-D996 IonicContact NE-OD1 3.98Å; R967-D996 PolarHBondContact NE-OD1 2.96Å; R967-D996 IonicContact NE-OD2 2.69Å; R967-D996 PolarHBondContact NE-OD2 2.85Å; R967-D996 IonicContact NH2-OD1 3.08Å; R967-D996 PolarHBondContact NH2-OD1 3.48Å; R967-D996 IonicContact NH2-OD2 3.38Å
968A86.1Confident80.4Confident0 Ų029.6 Ų29.60%014%0.14CC..Hα-helixtrans-60.4-43.7174.100000112.5Y964 L965 A971 C972 V993 D996 I997Y964-A968 WeakPolarHBondContact O-CB 3.38Å; Y964-A968 PolarHBondContact O-N 3.12Å; L965-A968 PolarHBondContact O-N 3.08Å; A968-A971 PolarHBondContact O-N 3.17Å; A968-C972 WeakPolarHBondContact O-CB 3.4Å; A968-C972 PolarHBondContact O-N 2.85Å; A968-C972 PolarHBondContact O-SG 2.9Å; A968-V993 HydrophobicContact CB-CG1 4.29Å; A968-D996 HydrophobicContact CB-CB 3.98Å; A968-I997 HydrophobicContact CB-CD1 4.26Å; A968-I997 HydrophobicContact CB-CG1 3.85Å
969Q84.6Confident79.3Confident30 Ų3032.2 Ų32.214%0.1415%0.148CC..Hα-helixtrans-60.2-45.6175.1-75.8175-3.600112.1M938 L965 Y966 C972 R973 T1032M938-Q969 HydrophobicContact CE-CB 3.8Å; L965-Q969 HydrophobicContact CD1-CG 4.21Å; L965-Q969 WeakPolarHBondContact O-CB 3.43Å; L965-Q969 VanDerWaalsContact O-CG 3.32Å; L965-Q969 WeakPolarHBondContact O-CG 3.2Å; L965-Q969 PolarHBondContact O-N 3.24Å; Y966-Q969 PolarHBondContact O-N 2.93Å; Q969-C972 PolarHBondContact O-N 3.41Å; Q969-R973 PolarHBondContact O-N 3.13Å; Q969-R973 VanDerWaalsContact O-N 3.12Å; Q969-T1032 HydrophobicContact CG-CG2 3.4Å
970S83.4Confident77.9Confident0 Ų026.9 Ų26.90%012%0.123CC..Hα-helixtrans-61.5-46.5178.1-55.90000111M938 Y966 R967 R973 L974M938-S970 VanDerWaalsContact CG-OG 3.27Å; M938-S970 WeakPolarHBondContact CG-OG 3.48Å; M938-S970 PolarHBondContact SD-OG 2.95Å; Y966-S970 WeakPolarHBondContact O-CB 3.39Å; Y966-S970 PolarHBondContact O-N 3.4Å; Y966-S970 PolarHBondContact O-OG 2.9Å; R967-S970 PolarHBondContact O-N 3.25Å; S970-R973 PolarHBondContact O-N 3.09Å; S970-L974 WeakPolarHBondContact O-CB 3.47Å; S970-L974 PolarHBondContact O-N 3.01Å
971A85.3Confident76.8Confident8 Ų825.6 Ų25.67%0.06613%0.128CC..Hα-helixtrans-65.4-43.1177.600000112.7I947 R967 A968 R973 L974 I975 F989 V993I947-A971 HydrophobicContact CD1-CB 3.96Å; R967-A971 WeakPolarHBondContact O-CB 3.27Å; R967-A971 PolarHBondContact O-N 2.93Å; A968-A971 PolarHBondContact O-N 3.17Å; A971-R973 VanDerWaalsContact C-N 3.31Å; A971-R973 PolarHBondContact O-N 3.43Å; A971-L974 PolarHBondContact O-N 3.38Å; A971-I975 WeakPolarHBondContact O-CD1 3.06Å; A971-I975 VanDerWaalsContact O-CG1 3.27Å; A971-I975 WeakPolarHBondContact O-CG1 3.42Å; A971-I975 PolarHBondContact O-N 3.41Å; A971-F989 HydrophobicContact CB-CZ 4.06Å; A971-V993 HydrophobicContact CB-CG2 3.64Å
972C81.9Confident75.4Confident8 Ų828.2 Ų28.25%0.05414%0.139CC..Hα-helixtrans-55.8-43.6174.3-75.80000112.7A968 Q969 A976 V993A968-C972 WeakPolarHBondContact O-CB 3.4Å; A968-C972 PolarHBondContact O-N 2.85Å; A968-C972 PolarHBondContact O-SG 2.9Å; Q969-C972 PolarHBondContact O-N 3.41Å; C972-A976 PolarHBondContact O-N 3.48Å; C972-V993 WeakPolarHBondContact SG-CG1 3.42Å
973R74.3Confident74.4Confident23 Ų2328.5 Ų28.59%0.08714%0.144CC..Hα-helixtrans-68.8-39.1177.5-71.2-174.8-175.6165.35.5112.3Y182 W248 Y943 Q969 S970 A971 I975 A976 L977Y182-R973 PolarHBondContact OH-NE 3.14Å; W248-R973 VanDerWaalsContact CD2-NH2 3.28Å; Y943-R973 HydrophobicContact CD1-CB 4.32Å; Y943-R973 HydrophobicContact CD2-CB 4.12Å; Y943-R973 HydrophobicContact CE1-CB 4.21Å; Y943-R973 VanDerWaalsContact CE1-CD 3.49Å; Y943-R973 HydrophobicContact CE2-CB 3.99Å; Y943-R973 HydrophobicContact CG-CB 4.29Å; Y943-R973 VanDerWaalsContact OH-CD 3.28Å; Y943-R973 WeakPolarHBondContact OH-CD 3.48Å; Y943-R973 PolarHBondContact OH-NH1 3.37Å; Y943-R973 VanDerWaalsContact OH-NH1 3.15Å; Q969-R973 PolarHBondContact O-N 3.13Å; Q969-R973 VanDerWaalsContact O-N 3.12Å; S970-R973 PolarHBondContact O-N 3.09Å; A971-R973 VanDerWaalsContact C-N 3.31Å; A971-R973 PolarHBondContact O-N 3.43Å; R973-I975 VanDerWaalsContact C-N 3.33Å; R973-I975 PolarHBondContact O-N 2.98Å; R973-A976 WeakPolarHBondContact O-CB 3.27Å; R973-A976 PolarHBondContact O-N 3.07Å; R973-A976 VanDerWaalsContact O-N 3.14Å; R973-L977 WeakPolarHBondContact O-CG 3.4Å; R973-L977 PolarHBondContact O-N 3.24Å
974L79.2Confident73.2Confident6 Ų636.2 Ų36.23%0.03118%0.183CC..Hα-helixtrans-63-41.2177.8-137.2163.5000111.6L944 I947 S970 A971 L977 Q978 L985 F989L944-L974 HydrophobicContact CB-CD1 4.48Å; L944-L974 HydrophobicContact CD2-CD1 3.65Å; L944-L974 HydrophobicContact CD2-CD2 4.4Å; L944-L974 HydrophobicContact CG-CD1 3.87Å; I947-L974 HydrophobicContact CD1-CD1 3.6Å; S970-L974 WeakPolarHBondContact O-CB 3.47Å; S970-L974 PolarHBondContact O-N 3.01Å; A971-L974 PolarHBondContact O-N 3.38Å; L974-L977 PolarHBondContact O-N 2.98Å; L974-Q978 PolarHBondContact O-N 2.9Å; L974-L985 HydrophobicContact CD2-CD2 3.43Å; L974-L985 VanDerWaalsContact CD2-CD2 3.43Å; L974-F989 HydrophobicContact CD1-CE2 4.08Å
975I77.9Confident72.1Confident7 Ų736.9 Ų36.94%0.03619%0.188CC..Hα-helixtrans-66-38172.8-62.5162.4000110.7A971 R973 Q978 H979 F989 D991 V993 Y1036 I1039A971-I975 WeakPolarHBondContact O-CD1 3.06Å; A971-I975 VanDerWaalsContact O-CG1 3.27Å; A971-I975 WeakPolarHBondContact O-CG1 3.42Å; A971-I975 PolarHBondContact O-N 3.41Å; R973-I975 VanDerWaalsContact C-N 3.33Å; R973-I975 PolarHBondContact O-N 2.98Å; I975-Q978 WeakPolarHBondContact O-CB 3.27Å; I975-Q978 PolarHBondContact O-N 3.43Å; I975-H979 PolarHBondContact O-CD2 2.86Å; I975-H979 PolarHBondContact O-N 3.24Å; I975-H979 VanDerWaalsContact O-N 3.11Å; I975-F989 HydrophobicContact CD1-CE1 4.22Å; I975-F989 HydrophobicContact CG1-CE1 4.01Å; I975-F989 HydrophobicContact CG1-CZ 4.46Å; I975-D991 WeakPolarHBondContact CD1-OD1 3.46Å; I975-V993 HydrophobicContact CD1-CG2 4.18Å; I975-Y1036 HydrophobicContact CD1-CD2 4.47Å; I975-Y1036 HydrophobicContact CD1-CE2 3.91Å; I975-I1039 HydrophobicContact CG2-CG2 4.09Å
976A67.9Low71.2Confident10 Ų1039.6 Ų39.68%0.08321%0.206CC..Hα-helixtrans-61.8-49.2174.100000112.3V178 C972 R973 Q978 H979 Q980 I1039V178-A976 HydrophobicContact CG1-CB 3.97Å; C972-A976 PolarHBondContact O-N 3.48Å; R973-A976 WeakPolarHBondContact O-CB 3.27Å; R973-A976 PolarHBondContact O-N 3.07Å; R973-A976 VanDerWaalsContact O-N 3.14Å; A976-Q978 VanDerWaalsContact C-N 3.26Å; A976-Q978 PolarHBondContact O-N 3.02Å; A976-H979 WeakPolarHBondContact O-CB 3.38Å; A976-H979 PolarHBondContact O-N 3.48Å; A976-Q980 WeakPolarHBondContact O-CG 3.34Å; A976-Q980 PolarHBondContact O-N 3.17Å; A976-I1039 HydrophobicContact CB-CD1 3.98Å
977L67.3Low69.8Low30 Ų3044.6 Ų44.616%0.15724%0.237CC..Hα-helixtrans-60.7-34.1176.2-66.2-179.4000112.6Y943 R973 L974 Q980 G981 E982 T983Y943-L977 HydrophobicContact CD2-CD1 3.84Å; Y943-L977 HydrophobicContact CE2-CD1 3.96Å; R973-L977 WeakPolarHBondContact O-CG 3.4Å; R973-L977 PolarHBondContact O-N 3.24Å; L974-L977 PolarHBondContact O-N 2.98Å; L977-Q980 CarbonylContact O-C 3.58Å; L977-Q980 PolarHBondContact O-N 3.31Å; L977-G981 PolarHBondContact O-N 2.9Å; L977-G981 VanDerWaalsContact O-N 3.12Å; L977-E982 WeakPolarHBondContact CD2-OE2 3.5Å; L977-E982 PolarHBondContact O-N 3.28Å; L977-E982 VanDerWaalsContact O-N 3.09Å; L977-T983 HydrophobicContact CB-CG2 4.12Å; L977-T983 WeakPolarHBondContact CB-OG1 3.42Å; L977-T983 HydrophobicContact CD1-CG2 4.16Å
978Q67.3Low68.5Low79 Ų7950.2 Ų50.237%0.36927%0.27SS..Hα-helixtrans-62.9-42.5172.1-171.9-160.58.400111.8L974 I975 A976 Q980 G981 T983 L985L974-Q978 PolarHBondContact O-N 2.9Å; I975-Q978 WeakPolarHBondContact O-CB 3.27Å; I975-Q978 PolarHBondContact O-N 3.43Å; A976-Q978 VanDerWaalsContact C-N 3.26Å; A976-Q978 PolarHBondContact O-N 3.02Å; Q978-Q980 VanDerWaalsContact C-N 3.28Å; Q978-Q980 PolarHBondContact O-N 3.46Å; Q978-G981 PolarHBondContact O-N 3.35Å; Q978-G981 VanDerWaalsContact O-N 3.14Å; Q978-T983 WeakPolarHBondContact CA-O 3.48Å; Q978-T983 PolarHBondContact N-OG1 3.48Å; Q978-L985 HydrophobicContact CB-CG 4.49Å; Q978-L985 HydrophobicContact CG-CG 4.12Å
979H59.9Low67.5Low109 Ų10952 Ų5251%0.50528%0.277SS..Hα-helixtrans-67.2-28.9175.5-77.8-69.3000113I975 A976 G981 I1039I975-H979 PolarHBondContact O-CD2 2.86Å; I975-H979 PolarHBondContact O-N 3.24Å; I975-H979 VanDerWaalsContact O-N 3.11Å; A976-H979 WeakPolarHBondContact O-CB 3.38Å; A976-H979 PolarHBondContact O-N 3.48Å; H979-G981 VanDerWaalsContact C-N 3.27Å; H979-I1039 WeakPolarHBondContact CD2-CG2 3.33Å
980Q52.6Low66.6Low24 Ų2456.2 Ų56.211%0.11230%0.301CS..THydrogen-bonded Turntrans-79.1-6.2172.9-64.6177.2-91.100113.4S253 L254 F255 A976 L977 Q978 E982S253-Q980 PolarHBondContact O-NE2 3.01Å; S253-Q980 VanDerWaalsContact O-NE2 3.07Å; L254-Q980 WeakPolarHBondContact CB-O 3.48Å; F255-Q980 WeakPolarHBondContact CD2-O 2.93Å; A976-Q980 WeakPolarHBondContact O-CG 3.34Å; A976-Q980 PolarHBondContact O-N 3.17Å; L977-Q980 CarbonylContact O-C 3.58Å; L977-Q980 PolarHBondContact O-N 3.31Å; Q978-Q980 VanDerWaalsContact C-N 3.28Å; Q978-Q980 PolarHBondContact O-N 3.46Å; Q980-E982 VanDerWaalsContact C-N 3.29Å; Q980-E982 HydrophobicContact CB-CG 4.4Å; Q980-E982 PolarHBondContact O-N 3Å
981G53Low65.9Low30 Ų3060.1 Ų60.131%0.30932%0.322SS..THydrogen-bonded Turntrans84.9-13.6-179.700000115.2L977 Q978 H979 T983L977-G981 PolarHBondContact O-N 2.9Å; L977-G981 VanDerWaalsContact O-N 3.12Å; Q978-G981 PolarHBondContact O-N 3.35Å; Q978-G981 VanDerWaalsContact O-N 3.14Å; H979-G981 VanDerWaalsContact C-N 3.27Å; G981-T983 VanDerWaalsContact C-N 3.28Å; G981-T983 PolarHBondContact O-N 3.49Å
982E52.6Low65.6Low65 Ų6563 Ų6330%0.30434%0.336SS..SBendtrans-64.6-25.8-172.8-60-156.4136.300114.3L977 Q980 T1179L977-E982 WeakPolarHBondContact CD2-OE2 3.5Å; L977-E982 PolarHBondContact O-N 3.28Å; L977-E982 VanDerWaalsContact O-N 3.09Å; Q980-E982 VanDerWaalsContact C-N 3.29Å; Q980-E982 HydrophobicContact CB-CG 4.4Å; Q980-E982 PolarHBondContact O-N 3Å; E982-T1179 VanDerWaalsContact OE1-CG2 3.25Å; E982-T1179 WeakPolarHBondContact OE1-CG2 3.38Å
983T58.1Low65.7Low46 Ų4662.7 Ų62.728%0.28233%0.334SS..  trans-136.6129.1-176.361.10000114L977 Q978 G981L977-T983 HydrophobicContact CB-CG2 4.12Å; L977-T983 WeakPolarHBondContact CB-OG1 3.42Å; L977-T983 HydrophobicContact CD1-CG2 4.16Å; Q978-T983 WeakPolarHBondContact CA-O 3.48Å; Q978-T983 PolarHBondContact N-OG1 3.48Å; G981-T983 VanDerWaalsContact C-N 3.28Å; G981-T983 PolarHBondContact O-N 3.49Å
984I61.1Low66.3Low162 Ų16264.1 Ų64.183%0.83134%0.343SS*.PPolyproline II helixtrans-81.5127.1167.7-58.1173.7000108.7
985L64Low66.7Low35 Ų3568.6 Ų68.618%0.18337%0.367CS..PPolyproline II helixtrans-67142.6171.9-68.6-174.7000111L974 Q978 F989L974-L985 HydrophobicContact CD2-CD2 3.43Å; L974-L985 VanDerWaalsContact CD2-CD2 3.43Å; Q978-L985 HydrophobicContact CB-CG 4.49Å; Q978-L985 HydrophobicContact CG-CG 4.12Å; L985-F989 HydrophobicContact CB-CB 4.37Å; L985-F989 HydrophobicContact CD1-CB 4.35Å; L985-F989 HydrophobicContact CD1-CD1 3.79Å; L985-F989 HydrophobicContact CD1-CE1 4.41Å; L985-F989 HydrophobicContact CD1-CG 4.24Å; L985-F989 HydrophobicContact CD2-CD1 4.07Å; L985-F989 HydrophobicContact CD2-CD2 4.31Å; L985-F989 HydrophobicContact CD2-CE1 4.29Å; L985-F989 HydrophobicContact CD2-CG 4.07Å
986P64.5Low67.2Low59 Ų5968.5 Ų68.538%0.38337%0.367SS..PPolyproline II helixtrans-68.7141.7164.830-32.7000110.1L944 N988 F989L944-P986 HydrophobicContact CD2-CG 4Å; P986-N988 PolarHBondContact O-N 3.42Å; P986-F989 HydrophobicContact CG-CB 4.31Å; P986-F989 VanDerWaalsContact O-CB 3.29Å; P986-F989 WeakPolarHBondContact O-CB 3.34Å; P986-F989 PolarHBondContact O-N 2.91Å
987D57.1Low68.1Low169 Ų16968.1 Ų68.190%0.90436%0.363SS*.THydrogen-bonded Turntrans-55.5-20.9-173.6-57.5-49.9000115
988N60.2Low69Low154 Ų15469 Ų6982%0.82437%0.372SS*.THydrogen-bonded Turntrans-9213.4179.3-64.9-44000114P986 N990P986-N988 PolarHBondContact O-N 3.42Å; N988-N990 PolarHBondContact O-N 2.76Å
989F64.9Low69.9Low38 Ų3869.4 Ų69.417%0.16737%0.374CS..  trans-78.9109.5-179.2-168.4-91.2000112I947 A971 L974 I975 L985 P986 D991I947-F989 HydrophobicContact CD1-CE2 3.76Å; I947-F989 HydrophobicContact CD1-CZ 4.2Å; A971-F989 HydrophobicContact CB-CZ 4.06Å; L974-F989 HydrophobicContact CD1-CE2 4.08Å; I975-F989 HydrophobicContact CD1-CE1 4.22Å; I975-F989 HydrophobicContact CG1-CE1 4.01Å; I975-F989 HydrophobicContact CG1-CZ 4.46Å; L985-F989 HydrophobicContact CB-CB 4.37Å; L985-F989 HydrophobicContact CD1-CB 4.35Å; L985-F989 HydrophobicContact CD1-CD1 3.79Å; L985-F989 HydrophobicContact CD1-CE1 4.41Å; L985-F989 HydrophobicContact CD1-CG 4.24Å; L985-F989 HydrophobicContact CD2-CD1 4.07Å; L985-F989 HydrophobicContact CD2-CD2 4.31Å; L985-F989 HydrophobicContact CD2-CE1 4.29Å; L985-F989 HydrophobicContact CD2-CG 4.07Å; P986-F989 HydrophobicContact CG-CB 4.31Å; P986-F989 VanDerWaalsContact O-CB 3.29Å; P986-F989 WeakPolarHBondContact O-CB 3.34Å; P986-F989 PolarHBondContact O-N 2.91Å; F989-D991 WeakPolarHBondContact CE1-OD1 3.26Å
990N65.8Low71.1Confident119 Ų11964.2 Ų64.264%0.63635%0.35SS*.  trans-98.3129.6174.1-74.7-16.6000111.5N988 N992N988-N990 PolarHBondContact O-N 2.76Å; N990-N992 PolarHBondContact O-N 2.96Å
991D69.8Low72.5Confident81 Ų8164.6 Ų64.643%0.43335%0.352SS..  trans-70.559.8-179.8-74.1-22.5000114.3I975 F989 V993I975-D991 WeakPolarHBondContact CD1-OD1 3.46Å; F989-D991 WeakPolarHBondContact CE1-OD1 3.26Å; D991-V993 PolarHBondContact O-N 3.45Å
992N78.8Confident74Confident70 Ų7067.3 Ų67.337%0.37436%0.363SS..THydrogen-bonded Turntrans-71.38.7-178.5-61.3-24.3000114.2N990 L994 D995 D996N990-N992 PolarHBondContact O-N 2.96Å; N992-L994 PolarHBondContact O-N 3.39Å; N992-D995 PolarHBondContact O-N 3.4Å; N992-D996 PolarHBondContact O-N 2.85Å
993V83.9Confident75.3Confident0 Ų065.1 Ų65.10%035%0.353CS..Hα-helixtrans-54.4-48.8-173.8174.90000112.7A968 A971 C972 I975 D991 I997 Y1036A968-V993 HydrophobicContact CB-CG1 4.29Å; A971-V993 HydrophobicContact CB-CG2 3.64Å; C972-V993 WeakPolarHBondContact SG-CG1 3.42Å; I975-V993 HydrophobicContact CD1-CG2 4.18Å; D991-V993 PolarHBondContact O-N 3.45Å; V993-I997 HydrophobicContact CG1-CD1 3.91Å; V993-I997 WeakPolarHBondContact O-CD1 3.49Å; V993-I997 VanDerWaalsContact O-CG1 3.28Å; V993-I997 WeakPolarHBondContact O-CG1 3.46Å; V993-I997 PolarHBondContact O-N 3.35Å; V993-I997 VanDerWaalsContact O-N 3.09Å; V993-Y1036 HydrophobicContact CB-CD2 3.94Å; V993-Y1036 HydrophobicContact CB-CE2 3.8Å; V993-Y1036 HydrophobicContact CB-CG 4.44Å; V993-Y1036 HydrophobicContact CG1-CD1 4.36Å; V993-Y1036 HydrophobicContact CG1-CD2 3.62Å; V993-Y1036 HydrophobicContact CG1-CE2 4.02Å; V993-Y1036 HydrophobicContact CG1-CG 3.79Å; V993-Y1036 HydrophobicContact CG2-CD2 4.03Å; V993-Y1036 HydrophobicContact CG2-CE2 3.81Å
994L86.7Confident76.1Confident53 Ų5364.1 Ų64.128%0.27735%0.346SS..Hα-helixtrans-71-34.4-177.6-68.7178.8000112N992 S998 R1033 Y1036 F1037N992-L994 PolarHBondContact O-N 3.39Å; L994-S998 WeakPolarHBondContact O-CB 3.37Å; L994-S998 PolarHBondContact O-N 3.15Å; L994-R1033 HydrophobicContact CD2-CG 3.87Å; L994-Y1036 HydrophobicContact CD1-CD1 4.4Å; L994-Y1036 HydrophobicContact CD1-CE1 3.82Å; L994-Y1036 HydrophobicContact CD2-CD1 3.76Å; L994-Y1036 HydrophobicContact CD2-CE1 3.97Å; L994-Y1036 HydrophobicContact CG-CD1 3.96Å; L994-Y1036 HydrophobicContact CG-CE1 3.61Å; L994-F1037 HydrophobicContact CD1-CE1 3.9Å; L994-F1037 HydrophobicContact CD1-CZ 3.84Å; L994-F1037 HydrophobicContact CD2-CE1 4.21Å; L994-F1037 HydrophobicContact CD2-CE2 4.13Å; L994-F1037 HydrophobicContact CD2-CZ 3.68Å; L994-F1037 HydrophobicContact CG-CZ 4.44Å
995D87.4Confident76.7Confident101 Ų10162.7 Ų62.754%0.5434%0.335SS..Hα-helixtrans-68.9-43.7178.1-67.7-8.9000110N992 I997 S998 Q999N992-D995 PolarHBondContact O-N 3.4Å; D995-I997 PolarHBondContact O-N 3.26Å; D995-S998 WeakPolarHBondContact O-CA 3.47Å; D995-S998 WeakPolarHBondContact O-CB 3.35Å; D995-S998 PolarHBondContact O-N 3.07Å; D995-S998 VanDerWaalsContact O-N 3.11Å; D995-S998 PolarHBondContact O-OG 2.97Å; D995-Q999 WeakPolarHBondContact O-CG 3.29Å; D995-Q999 PolarHBondContact O-N 3.18Å
996D87.6Confident76.9Confident5 Ų564.6 Ų64.63%0.02735%0.351CS..Hα-helixtrans-58.3-47.6173.4-80.7-12.8000112.6Y964 R967 A968 N992 S998 Q999 A1000Y964-D996 WeakPolarHBondContact CB-O 3.29Å; Y964-D996 HydrophobicContact CD1-CB 4.49Å; Y964-D996 WeakPolarHBondContact CD1-OD1 3.49Å; R967-D996 WeakPolarHBondContact CB-OD2 3.39Å; R967-D996 WeakPolarHBondContact CG-OD2 3.46Å; R967-D996 IonicContact CZ-OD1 2.63Å; R967-D996 IonicContact CZ-OD2 3.09Å; R967-D996 IonicContact NE-OD1 3.98Å; R967-D996 PolarHBondContact NE-OD1 2.96Å; R967-D996 IonicContact NE-OD2 2.69Å; R967-D996 PolarHBondContact NE-OD2 2.85Å; R967-D996 IonicContact NH2-OD1 3.08Å; R967-D996 PolarHBondContact NH2-OD1 3.48Å; R967-D996 IonicContact NH2-OD2 3.38Å; A968-D996 HydrophobicContact CB-CB 3.98Å; N992-D996 PolarHBondContact O-N 2.85Å; D996-S998 VanDerWaalsContact C-N 3.25Å; D996-S998 PolarHBondContact O-N 3.47Å; D996-Q999 PolarHBondContact O-N 3.01Å; D996-A1000 WeakPolarHBondContact O-CB 3.45Å; D996-A1000 PolarHBondContact O-N 3.15Å
997I87.3Confident76.3Confident1 Ų164.9 Ų64.91%0.00535%0.35CS..Hα-helixtrans-61.4-37.5176-68.4166.5000110.5A968 V993 D995 L1001 C1029 T1032 R1033A968-I997 HydrophobicContact CB-CD1 4.26Å; A968-I997 HydrophobicContact CB-CG1 3.85Å; V993-I997 HydrophobicContact CG1-CD1 3.91Å; V993-I997 WeakPolarHBondContact O-CD1 3.49Å; V993-I997 VanDerWaalsContact O-CG1 3.28Å; V993-I997 WeakPolarHBondContact O-CG1 3.46Å; V993-I997 PolarHBondContact O-N 3.35Å; V993-I997 VanDerWaalsContact O-N 3.09Å; D995-I997 PolarHBondContact O-N 3.26Å; I997-L1001 HydrophobicContact CG2-CD1 4.1Å; I997-L1001 VanDerWaalsContact O-CG 3.3Å; I997-L1001 WeakPolarHBondContact O-CG 3.46Å; I997-L1001 PolarHBondContact O-N 2.94Å; I997-L1001 VanDerWaalsContact O-N 3.14Å; I997-C1029 HydrophobicContact CG2-CB 4.17Å; I997-T1032 WeakPolarHBondContact CD1-OG1 3.41Å; I997-R1033 HydrophobicContact CD1-CB 4.09Å; I997-R1033 HydrophobicContact CG2-CB 4.46Å
998S87.2Confident75.6Confident49 Ų4966.7 Ų66.734%0.34335%0.35SS..Hα-helixtrans-65.6-43.7175.784.60000112.5L994 D995 D996 L1001 V1002L994-S998 WeakPolarHBondContact O-CB 3.37Å; L994-S998 PolarHBondContact O-N 3.15Å; D995-S998 WeakPolarHBondContact O-CA 3.47Å; D995-S998 WeakPolarHBondContact O-CB 3.35Å; D995-S998 PolarHBondContact O-N 3.07Å; D995-S998 VanDerWaalsContact O-N 3.11Å; D995-S998 PolarHBondContact O-OG 2.97Å; D996-S998 VanDerWaalsContact C-N 3.25Å; D996-S998 PolarHBondContact O-N 3.47Å; S998-L1001 PolarHBondContact O-N 2.79Å; S998-V1002 WeakPolarHBondContact O-CG2 3.46Å; S998-V1002 PolarHBondContact O-N 3.5Å
999Q86.1Confident74.1Confident87 Ų8763.4 Ų63.441%0.40734%0.338SS..Hα-helixtrans-66-42.3178.5-67.5-62.4-2200111.4Y964 D995 D996 L1001 V1002 L1003Y964-Q999 HydrophobicContact CD1-CB 3.71Å; Y964-Q999 HydrophobicContact CD1-CG 4.34Å; Y964-Q999 HydrophobicContact CE1-CB 3.75Å; Y964-Q999 HydrophobicContact CE1-CG 4.08Å; Y964-Q999 HydrophobicContact CG-CB 4.14Å; D995-Q999 WeakPolarHBondContact O-CG 3.29Å; D995-Q999 PolarHBondContact O-N 3.18Å; D996-Q999 PolarHBondContact O-N 3.01Å; Q999-L1001 VanDerWaalsContact C-N 3.33Å; Q999-L1001 PolarHBondContact O-N 3.29Å; Q999-V1002 PolarHBondContact O-N 2.96Å; Q999-L1003 WeakPolarHBondContact O-CB 3.05Å; Q999-L1003 VanDerWaalsContact O-CG 3.27Å; Q999-L1003 WeakPolarHBondContact O-CG 3.23Å; Q999-L1003 PolarHBondContact O-N 3.24Å
1000A83.5Confident72.5Confident0 Ų067 Ų670%037%0.368CS..Hα-helixtrans-56-47173.800000111.7P961 D996 I1004P961-A1000 HydrophobicContact CB-CB 4.36Å; P961-A1000 WeakPolarHBondContact CB-O 3.25Å; D996-A1000 WeakPolarHBondContact O-CB 3.45Å; D996-A1000 PolarHBondContact O-N 3.15Å; A1000-I1004 VanDerWaalsContact O-CD1 3.3Å; A1000-I1004 WeakPolarHBondContact O-CD1 3.23Å; A1000-I1004 WeakPolarHBondContact O-CG1 3.41Å; A1000-I1004 PolarHBondContact O-N 3Å; A1000-I1004 VanDerWaalsContact O-N 3.11Å
1001L82.8Confident70.8Confident32 Ų3265.5 Ų65.517%0.16836%0.364CS..Hα-helixtrans-67.4-42.3178.6-69.1169.5000112.5I997 S998 Q999 L1003 I1004 H1005 I1026 C1029I997-L1001 HydrophobicContact CG2-CD1 4.1Å; I997-L1001 VanDerWaalsContact O-CG 3.3Å; I997-L1001 WeakPolarHBondContact O-CG 3.46Å; I997-L1001 PolarHBondContact O-N 2.94Å; I997-L1001 VanDerWaalsContact O-N 3.14Å; S998-L1001 PolarHBondContact O-N 2.79Å; Q999-L1001 VanDerWaalsContact C-N 3.33Å; Q999-L1001 PolarHBondContact O-N 3.29Å; L1001-L1003 PolarHBondContact O-N 2.95Å; L1001-I1004 PolarHBondContact O-N 3.1Å; L1001-H1005 PolarHBondContact O-CD2 3.48Å; L1001-H1005 PolarHBondContact O-N 2.99Å; L1001-I1026 HydrophobicContact CD2-CG2 3.99Å; L1001-C1029 HydrophobicContact CD2-CB 4.02Å; L1001-C1029 HydrophobicContact CG-CB 4.23Å
1002V83.4Confident68.9Low88 Ų8867.5 Ų67.553%0.53337%0.374SS..Hα-helixtrans-59.2-46.4175.8167.60000111.3S998 Q999 I1004 H1005 S1006S998-V1002 WeakPolarHBondContact O-CG2 3.46Å; S998-V1002 PolarHBondContact O-N 3.5Å; Q999-V1002 PolarHBondContact O-N 2.96Å; V1002-I1004 VanDerWaalsContact C-N 3.32Å; V1002-I1004 PolarHBondContact O-N 3.33Å; V1002-H1005 PolarHBondContact O-N 2.87Å; V1002-S1006 PolarHBondContact O-N 2.89Å; V1002-S1006 PolarHBondContact O-OG 3.26Å
1003L81.4Confident66.6Low19 Ų1969.4 Ų69.410%0.09939%0.39CS..Hα-helixtrans-64.4-32.2177.8-72.6168.9000113.1P958 P961 Y964 Q999 L1001 S1006 N1007P958-L1003 VanDerWaalsContact O-CD1 3.29Å; P958-L1003 WeakPolarHBondContact O-CD1 3.42Å; P961-L1003 HydrophobicContact CB-CB 3.99Å; P961-L1003 HydrophobicContact CB-CD1 4.49Å; Y964-L1003 HydrophobicContact CD2-CD1 3.89Å; Y964-L1003 HydrophobicContact CE2-CD1 3.58Å; Q999-L1003 WeakPolarHBondContact O-CB 3.05Å; Q999-L1003 VanDerWaalsContact O-CG 3.27Å; Q999-L1003 WeakPolarHBondContact O-CG 3.23Å; Q999-L1003 PolarHBondContact O-N 3.24Å; L1001-L1003 PolarHBondContact O-N 2.95Å; L1003-S1006 PolarHBondContact O-OG 2.97Å; L1003-S1006 VanDerWaalsContact O-OG 3.14Å; L1003-N1007 PolarHBondContact O-ND2 3.29Å
1004I75.3Confident64Low25 Ų2575 Ų7513%0.12842%0.419CS..Hα-helixtrans-70.6-42.7173.8-66.5159.3000110.2P961 A1000 L1001 V1002 I1025 I1026P961-I1004 HydrophobicContact CB-CD1 4.19Å; P961-I1004 HydrophobicContact CB-CG1 3.8Å; P961-I1004 HydrophobicContact CG-CG1 3.88Å; A1000-I1004 VanDerWaalsContact O-CD1 3.3Å; A1000-I1004 WeakPolarHBondContact O-CD1 3.23Å; A1000-I1004 WeakPolarHBondContact O-CG1 3.41Å; A1000-I1004 PolarHBondContact O-N 3Å; A1000-I1004 VanDerWaalsContact O-N 3.11Å; L1001-I1004 PolarHBondContact O-N 3.1Å; V1002-I1004 VanDerWaalsContact C-N 3.32Å; V1002-I1004 PolarHBondContact O-N 3.33Å; I1004-I1025 HydrophobicContact CD1-CB 4.17Å; I1004-I1025 HydrophobicContact CD1-CG2 3.63Å; I1004-I1026 HydrophobicContact CD1-CG1 4.01Å; I1004-I1026 HydrophobicContact CG2-CD1 3.86Å; I1004-I1026 HydrophobicContact CG2-CG1 3.9Å
1005H72.4Confident61.3Low132 Ų13278.9 Ų78.961%0.61144%0.435SS*.Hα-helixtrans-72.2-26.7-179.4-75.5-59.6000114.4L1001 V1002L1001-H1005 PolarHBondContact O-CD2 3.48Å; L1001-H1005 PolarHBondContact O-N 2.99Å; V1002-H1005 PolarHBondContact O-N 2.87Å
1006S67.6Low58.5Low74 Ų7480.1 Ų80.152%0.51744%0.436SS..Hα-helixtrans-74-22.6179.261.40000114.2V1002 L1003 K1008V1002-S1006 PolarHBondContact O-N 2.89Å; V1002-S1006 PolarHBondContact O-OG 3.26Å; L1003-S1006 PolarHBondContact O-OG 2.97Å; L1003-S1006 VanDerWaalsContact O-OG 3.14Å; S1006-K1008 VanDerWaalsContact C-N 3.35Å; S1006-K1008 PolarHBondContact O-N 3.29Å
1007N52.1Low55.9Low66 Ų6683.9 Ų83.935%0.35346%0.456SS..  trans-80.771.5-169.7-84.1-48.1000113.8L1003L1003-N1007 PolarHBondContact O-ND2 3.29Å
1008K42.2Very low53Low207 Ų20786 Ų8690%0.948%0.479SS*.SBendtrans-90.7-3.7166.4-93.7-178.3176.8174.20114.5S1006S1006-K1008 VanDerWaalsContact C-N 3.35Å; S1006-K1008 PolarHBondContact O-N 3.29Å
1009S30.7Very low50.2Low84 Ų8488.8 Ų88.859%0.58750%0.496SS*.SBendtrans-156145.9-174.852.30000113.4V1011S1009-V1011 PolarHBondContact O-N 3.44Å
1010S29.6Very low47.8Very low114 Ų11491.2 Ų91.280%0.79751%0.51SS*.  trans54.350.8154.662.80000118.8
1011V31.2Very low46Very low88 Ų8896.3 Ų96.353%0.53353%0.532SS..  trans-120.8117.9147.9-177.70000108.1S1009S1009-V1011 PolarHBondContact O-N 3.44Å
1012N30.1Very low44.2Very low123 Ų12399.6 Ų99.666%0.65854%0.543SS*.  trans-67.8130-175.5-83.3-18.1000111.5I1014N1012-I1014 HydrophobicContact CB-CB 4.38Å; N1012-I1014 HydrophobicContact CB-CD1 3.78Å; N1012-I1014 HydrophobicContact CB-CG1 3.94Å; N1012-I1014 PolarHBondContact O-N 3.01Å
1013P29.2Very low42.5Very low109 Ų10999.2 Ų99.271%0.70854%0.541SS*.THydrogen-bonded Turntrans-8047.2177.636-37.7000111.7
1014I29.9Very low41.8Very low119 Ų119100.3 Ų100.361%0.6155%0.546SS*.THydrogen-bonded Turntrans-95.4-31.6-172.1-69.4175.1000111.7N1012N1012-I1014 HydrophobicContact CB-CB 4.38Å; N1012-I1014 HydrophobicContact CB-CD1 3.78Å; N1012-I1014 HydrophobicContact CB-CG1 3.94Å; N1012-I1014 PolarHBondContact O-N 3.01Å
1015H29.7Very low41.6Very low134 Ų134100.3 Ų100.362%0.6255%0.547SS*.SBendtrans-126130.3167.1-70.9-82.3000111.7
1016F29.7Very low41.9Very low126 Ų12695.2 Ų95.255%0.55352%0.523SS*.SBendtrans67.4115.6-178.9-60.6-81.4000117.4
1017N31.8Very low42.3Very low84 Ų8491.9 Ų91.945%0.44950%0.5SS..  trans69.2114.9147.3-60.4-42.6000118.2K1021N1017-K1021 HydrophobicContact CB-CB 4.04Å; N1017-K1021 HydrophobicContact CB-CD 3.64Å; N1017-K1021 HydrophobicContact CB-CG 4.44Å; N1017-K1021 WeakPolarHBondContact OD1-CD 3.31Å; N1017-K1021 PolarHBondContact OD1-NZ 2.95Å
1018G28.2Very low43.4Very low46 Ų4692.4 Ų92.447%0.47450%0.5SS..  trans-69.8176.2175.500000114.8I1020 K1021G1018-I1020 PolarHBondContact O-N 3.22Å; G1018-K1021 PolarHBondContact O-N 2.86Å
1019P26.9Very low45.4Very low108 Ų10882.5 Ų82.570%0.70146%0.457SS*.THydrogen-bonded Turntrans-57.1-27.8-166.521.5-34.1000114.8K1021 Y1022P1019-K1021 PolarHBondContact O-N 3.08Å; P1019-Y1022 PolarHBondContact O-N 2.89Å; P1019-Y1022 VanDerWaalsContact O-N 3.13Å
1020I36.1Very low47.9Very low137 Ų13778.7 Ų78.770%0.70343%0.43SS*.Hα-helixtrans-53.6-38176.6-58170.7000111.7G1018G1018-I1020 PolarHBondContact O-N 3.22Å
1021K45.9Very low50.4Low107 Ų10774.8 Ų74.847%0.46540%0.4SS..Hα-helixtrans-80.1-16.6-177.9-84.4179174.5-176.20114.5N1017 G1018 P1019 V1023 N1024 I1025N1017-K1021 HydrophobicContact CB-CB 4.04Å; N1017-K1021 HydrophobicContact CB-CD 3.64Å; N1017-K1021 HydrophobicContact CB-CG 4.44Å; N1017-K1021 WeakPolarHBondContact OD1-CD 3.31Å; N1017-K1021 PolarHBondContact OD1-NZ 2.95Å; G1018-K1021 PolarHBondContact O-N 2.86Å; P1019-K1021 PolarHBondContact O-N 3.08Å; K1021-V1023 VanDerWaalsContact C-N 3.34Å; K1021-N1024 PolarHBondContact O-N 3.2Å; K1021-I1025 WeakPolarHBondContact O-CG1 3.32Å; K1021-I1025 PolarHBondContact O-N 2.79Å
1022Y44.4Very low52.9Low102 Ų10271 Ų7140%0.438%0.377SS..Hα-helixtrans-68.7-35.1173.9-87.3-87.8000112.2P1019 I1025P1019-Y1022 PolarHBondContact O-N 2.89Å; P1019-Y1022 VanDerWaalsContact O-N 3.13Å; Y1022-I1025 PolarHBondContact O-N 3.15Å
1023V48.6Very low55.6Low80 Ų8068.7 Ų68.749%0.48536%0.359SS..Hα-helixtrans-61.6-47.5174.6-173.90000109.8K1021 I1025 I1026 D1027K1021-V1023 VanDerWaalsContact C-N 3.34Å; V1023-I1025 VanDerWaalsContact C-N 3.27Å; V1023-I1025 PolarHBondContact O-N 3.04Å; V1023-I1026 PolarHBondContact O-N 3.27Å; V1023-D1027 PolarHBondContact O-N 2.99Å
1024N65.8Low58.3Low41 Ų4163.5 Ų63.522%0.21933%0.326CS..Hα-helixtrans-57.1-33.1179.5-67.55000113.9K1021 D1027 Q1028 R1057K1021-N1024 PolarHBondContact O-N 3.2Å; N1024-D1027 PolarHBondContact O-N 3.15Å; N1024-Q1028 WeakPolarHBondContact O-CB 3.31Å; N1024-Q1028 VanDerWaalsContact O-CG 3.23Å; N1024-Q1028 WeakPolarHBondContact O-CG 3.42Å; N1024-Q1028 PolarHBondContact O-N 2.97Å; N1024-R1057 PolarHBondContact OD1-NH2 3.07Å
1025I71.2Confident60.6Low26 Ų2659 Ų5913%0.13330%0.303CS..Hα-helixtrans-69.3-40.2-178.5-59.5165.8000111.2L965 I1004 K1021 Y1022 V1023 D1027 Q1028 C1029L965-I1025 HydrophobicContact CD2-CG2 3.94Å; I1004-I1025 HydrophobicContact CD1-CB 4.17Å; I1004-I1025 HydrophobicContact CD1-CG2 3.63Å; K1021-I1025 WeakPolarHBondContact O-CG1 3.32Å; K1021-I1025 PolarHBondContact O-N 2.79Å; Y1022-I1025 PolarHBondContact O-N 3.15Å; V1023-I1025 VanDerWaalsContact C-N 3.27Å; V1023-I1025 PolarHBondContact O-N 3.04Å; I1025-D1027 VanDerWaalsContact C-N 3.32Å; I1025-D1027 PolarHBondContact O-N 3.1Å; I1025-Q1028 PolarHBondContact O-N 3.21Å; I1025-C1029 WeakPolarHBondContact O-CB 3.21Å; I1025-C1029 PolarHBondContact O-N 2.98Å; I1025-C1029 PolarHBondContact O-SG 3.42Å; I1025-C1029 VanDerWaalsContact O-SG 3.33Å
1026I78.5Confident63.2Low24 Ų2453.1 Ų53.112%0.12328%0.275CS..Hα-helixtrans-63.1-44.5177.6-58.7175000110.1L1001 I1004 V1023 C1029 L1030L1001-I1026 HydrophobicContact CD2-CG2 3.99Å; I1004-I1026 HydrophobicContact CD1-CG1 4.01Å; I1004-I1026 HydrophobicContact CG2-CD1 3.86Å; I1004-I1026 HydrophobicContact CG2-CG1 3.9Å; V1023-I1026 PolarHBondContact O-N 3.27Å; I1026-C1029 WeakPolarHBondContact O-CB 3.4Å; I1026-C1029 PolarHBondContact O-N 3.14Å; I1026-L1030 HydrophobicContact CG2-CD1 4.32Å; I1026-L1030 PolarHBondContact O-N 2.73Å
1027D75.7Confident65.8Low4 Ų447.7 Ų47.72%0.02125%0.251CS..Hα-helixtrans-68.1-36.5-178-61.7-33.5000111.4V1023 N1024 I1025 L1030 L1031 R1056 R1057 W1060V1023-D1027 PolarHBondContact O-N 2.99Å; N1024-D1027 PolarHBondContact O-N 3.15Å; I1025-D1027 VanDerWaalsContact C-N 3.32Å; I1025-D1027 PolarHBondContact O-N 3.1Å; D1027-L1030 PolarHBondContact O-N 3.35Å; D1027-L1031 WeakPolarHBondContact O-CB 3.45Å; D1027-L1031 PolarHBondContact O-N 3.26Å; D1027-R1056 WeakPolarHBondContact OD1-CD 3.18Å; D1027-R1057 IonicContact OD2-CZ 3.33Å; D1027-R1057 IonicContact OD2-NE 2.67Å; D1027-R1057 PolarHBondContact OD2-NE 2.85Å; D1027-R1057 IonicContact OD2-NH2 3.84Å; D1027-R1057 PolarHBondContact OD2-NH2 2.99Å; D1027-W1060 HydrophobicContact CB-CH2 4.46Å; D1027-W1060 HydrophobicContact CB-CZ3 3.88Å
1028Q76.5Confident68.1Low77 Ų7743.8 Ų43.836%0.3623%0.231SC..Hα-helixtrans-66.9-39170.4-74.5174.6-16.700113.2L965 N1024 I1025 L1030 L1031 T1032L965-Q1028 HydrophobicContact CD1-CB 4.37Å; L965-Q1028 HydrophobicContact CD2-CB 3.67Å; N1024-Q1028 WeakPolarHBondContact O-CB 3.31Å; N1024-Q1028 VanDerWaalsContact O-CG 3.23Å; N1024-Q1028 WeakPolarHBondContact O-CG 3.42Å; N1024-Q1028 PolarHBondContact O-N 2.97Å; I1025-Q1028 PolarHBondContact O-N 3.21Å; Q1028-L1030 VanDerWaalsContact C-N 3.31Å; Q1028-L1030 PolarHBondContact O-N 2.91Å; Q1028-L1031 PolarHBondContact O-N 3.1Å; Q1028-T1032 WeakPolarHBondContact O-CG2 3.42Å; Q1028-T1032 PolarHBondContact O-N 2.99Å; Q1028-T1032 PolarHBondContact O-OG1 3.33Å
1029C83.2Confident70.3Confident0 Ų042.2 Ų42.20%021%0.211CC..Hα-helixtrans-61.7-37.8173.8-78.50000112.5I997 L1001 I1025 I1026 T1032 R1033I997-C1029 HydrophobicContact CG2-CB 4.17Å; L1001-C1029 HydrophobicContact CD2-CB 4.02Å; L1001-C1029 HydrophobicContact CG-CB 4.23Å; I1025-C1029 WeakPolarHBondContact O-CB 3.21Å; I1025-C1029 PolarHBondContact O-N 2.98Å; I1025-C1029 PolarHBondContact O-SG 3.42Å; I1025-C1029 VanDerWaalsContact O-SG 3.33Å; I1026-C1029 WeakPolarHBondContact O-CB 3.4Å; I1026-C1029 PolarHBondContact O-N 3.14Å; C1029-T1032 PolarHBondContact O-OG1 3.02Å; C1029-R1033 WeakPolarHBondContact O-CB 3.46Å; C1029-R1033 PolarHBondContact O-N 3.48Å
1030L84.2Confident72.7Confident3 Ų339.1 Ų39.12%0.01619%0.189CC..Hα-helixtrans-72.9-41.1175.7-68.7170.3000111.3I1026 D1027 Q1028 R1033 I1034 E1052 V1053I1026-L1030 HydrophobicContact CG2-CD1 4.32Å; I1026-L1030 PolarHBondContact O-N 2.73Å; D1027-L1030 PolarHBondContact O-N 3.35Å; Q1028-L1030 VanDerWaalsContact C-N 3.31Å; Q1028-L1030 PolarHBondContact O-N 2.91Å; L1030-R1033 WeakPolarHBondContact O-CB 3.42Å; L1030-R1033 PolarHBondContact O-N 3.14Å; L1030-R1033 VanDerWaalsContact O-N 3.16Å; L1030-I1034 VanDerWaalsContact O-CG1 3.31Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.19Å; L1030-I1034 PolarHBondContact O-N 3.33Å; L1030-E1052 HydrophobicContact CD1-CB 4.37Å; L1030-V1053 HydrophobicContact CB-CG2 3.31Å; L1030-V1053 HydrophobicContact CD1-CG2 3.69Å; L1030-V1053 HydrophobicContact CG-CG2 4.09Å
1031L82.7Confident74.8Confident32 Ų3239 Ų3917%0.16819%0.185CC..Hα-helixtrans-56.3-49.6174.217966.9000112.3D1027 Q1028 R1033 I1034 I1035 W1060 I1063 Y1066D1027-L1031 WeakPolarHBondContact O-CB 3.45Å; D1027-L1031 PolarHBondContact O-N 3.26Å; Q1028-L1031 PolarHBondContact O-N 3.1Å; L1031-R1033 PolarHBondContact O-N 3.1Å; L1031-I1034 WeakPolarHBondContact O-CB 3.38Å; L1031-I1034 PolarHBondContact O-N 3.45Å; L1031-I1034 VanDerWaalsContact O-N 3.1Å; L1031-I1035 HydrophobicContact CD1-CD1 4.13Å; L1031-I1035 HydrophobicContact CG-CD1 3.98Å; L1031-I1035 WeakPolarHBondContact O-CG1 3.34Å; L1031-I1035 PolarHBondContact O-N 3.48Å; L1031-W1060 HydrophobicContact CB-CH2 4Å; L1031-W1060 HydrophobicContact CD1-CH2 4.39Å; L1031-W1060 HydrophobicContact CD1-CZ2 4.4Å; L1031-W1060 HydrophobicContact CD2-CH2 4.02Å; L1031-W1060 HydrophobicContact CD2-CZ2 3.99Å; L1031-W1060 HydrophobicContact CG-CH2 4.37Å; L1031-I1063 HydrophobicContact CD1-CD1 4.05Å; L1031-Y1066 HydrophobicContact CD1-CE2 3.54Å
1032T82.8Confident76.7Confident9 Ų939.5 Ų39.56%0.05518%0.184CC..Hα-helixtrans-62.1-33.4177.6500000112.4L965 Q969 I997 Q1028 C1029 Y1036L965-T1032 HydrophobicContact CD1-CG2 3.9Å; Q969-T1032 HydrophobicContact CG-CG2 3.4Å; I997-T1032 WeakPolarHBondContact CD1-OG1 3.41Å; Q1028-T1032 WeakPolarHBondContact O-CG2 3.42Å; Q1028-T1032 PolarHBondContact O-N 2.99Å; Q1028-T1032 PolarHBondContact O-OG1 3.33Å; C1029-T1032 PolarHBondContact O-OG1 3.02Å; T1032-Y1036 VanDerWaalsContact O-CB 3.26Å; T1032-Y1036 WeakPolarHBondContact O-CB 3.26Å; T1032-Y1036 PolarHBondContact O-N 3.37Å
1033R86.6Confident78.7Confident75 Ų7535.9 Ų35.928%0.28317%0.17SC..Hα-helixtrans-71.6-32.6175-159.4166.2104.8161.2-3.9113L994 I997 C1029 L1030 L1031 F1037 N1049L994-R1033 HydrophobicContact CD2-CG 3.87Å; I997-R1033 HydrophobicContact CD1-CB 4.09Å; I997-R1033 HydrophobicContact CG2-CB 4.46Å; C1029-R1033 WeakPolarHBondContact O-CB 3.46Å; C1029-R1033 PolarHBondContact O-N 3.48Å; L1030-R1033 WeakPolarHBondContact O-CB 3.42Å; L1030-R1033 PolarHBondContact O-N 3.14Å; L1030-R1033 VanDerWaalsContact O-N 3.16Å; L1031-R1033 PolarHBondContact O-N 3.1Å; R1033-F1037 HydrophobicContact CG-CD2 4Å; R1033-F1037 HydrophobicContact CG-CE2 3.61Å; R1033-F1037 HydrophobicContact CG-CZ 4.49Å; R1033-F1037 WeakPolarHBondContact O-CD2 3.41Å; R1033-F1037 PolarHBondContact O-N 2.82Å; R1033-N1049 VanDerWaalsContact CZ-OD1 3.24Å; R1033-N1049 PolarHBondContact NE-OD1 3.27Å; R1033-N1049 PolarHBondContact NH2-OD1 3.06Å
1034I85.2Confident80.7Confident0 Ų036.4 Ų36.40%017%0.173CC..Hα-helixtrans-63.3-55.2171.2-68.7163.5000109.5L1030 L1031 Y1036 F1037 G1038 N1049 C1050 V1053 I1063 Y1066 F1070L1030-I1034 VanDerWaalsContact O-CG1 3.31Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.19Å; L1030-I1034 PolarHBondContact O-N 3.33Å; L1031-I1034 WeakPolarHBondContact O-CB 3.38Å; L1031-I1034 PolarHBondContact O-N 3.45Å; L1031-I1034 VanDerWaalsContact O-N 3.1Å; I1034-Y1036 PolarHBondContact O-N 3.45Å; I1034-F1037 PolarHBondContact O-N 2.78Å; I1034-G1038 PolarHBondContact O-N 3.05Å; I1034-N1049 HydrophobicContact CD1-CB 4.28Å; I1034-N1049 HydrophobicContact CG1-CB 3.54Å; I1034-C1050 HydrophobicContact CD1-CB 4.43Å; I1034-V1053 HydrophobicContact CD1-CG2 4.02Å; I1034-I1063 HydrophobicContact CD1-CD1 4Å; I1034-I1063 HydrophobicContact CD1-CG2 4.42Å; I1034-Y1066 HydrophobicContact CG2-CD2 4.06Å; I1034-Y1066 HydrophobicContact CG2-CG 4.49Å; I1034-F1070 HydrophobicContact CG2-CE2 3.61Å; I1034-F1070 HydrophobicContact CG2-CZ 4.11Å
1035I79.1Confident81.8Confident25 Ų2539.4 Ų39.413%0.12819%0.185CC..Hα-helixtrans-59.2-47.5-178.4-64.2164.4000110.9D181 L1031 F1037 G1038 I1039D181-I1035 WeakPolarHBondContact OD2-CD1 3.19Å; L1031-I1035 HydrophobicContact CD1-CD1 4.13Å; L1031-I1035 HydrophobicContact CG-CD1 3.98Å; L1031-I1035 WeakPolarHBondContact O-CG1 3.34Å; L1031-I1035 PolarHBondContact O-N 3.48Å; I1035-F1037 VanDerWaalsContact C-N 3.34Å; I1035-F1037 PolarHBondContact O-N 3.12Å; I1035-G1038 WeakPolarHBondContact O-CA 3.49Å; I1035-G1038 PolarHBondContact O-N 3.46Å; I1035-I1039 HydrophobicContact CG2-CD1 3.76Å; I1035-I1039 HydrophobicContact CG2-CG1 4.38Å; I1035-I1039 WeakPolarHBondContact O-CG1 3.37Å; I1035-I1039 PolarHBondContact O-N 2.99Å
1036Y83.8Confident82.6Confident10 Ų1038.2 Ų38.24%0.03918%0.178CC..Hα-helixtrans-57.1-42.6178.6-179.6-104.3000113.3I975 V993 L994 T1032 I1034 N1040I975-Y1036 HydrophobicContact CD1-CD2 4.47Å; I975-Y1036 HydrophobicContact CD1-CE2 3.91Å; V993-Y1036 HydrophobicContact CB-CD2 3.94Å; V993-Y1036 HydrophobicContact CB-CE2 3.8Å; V993-Y1036 HydrophobicContact CB-CG 4.44Å; V993-Y1036 HydrophobicContact CG1-CD1 4.36Å; V993-Y1036 HydrophobicContact CG1-CD2 3.62Å; V993-Y1036 HydrophobicContact CG1-CE2 4.02Å; V993-Y1036 HydrophobicContact CG1-CG 3.79Å; V993-Y1036 HydrophobicContact CG2-CD2 4.03Å; V993-Y1036 HydrophobicContact CG2-CE2 3.81Å; L994-Y1036 HydrophobicContact CD1-CD1 4.4Å; L994-Y1036 HydrophobicContact CD1-CE1 3.82Å; L994-Y1036 HydrophobicContact CD2-CD1 3.76Å; L994-Y1036 HydrophobicContact CD2-CE1 3.97Å; L994-Y1036 HydrophobicContact CG-CD1 3.96Å; L994-Y1036 HydrophobicContact CG-CE1 3.61Å; T1032-Y1036 VanDerWaalsContact O-CB 3.26Å; T1032-Y1036 WeakPolarHBondContact O-CB 3.26Å; T1032-Y1036 PolarHBondContact O-N 3.37Å; I1034-Y1036 PolarHBondContact O-N 3.45Å; Y1036-N1040 WeakPolarHBondContact CE2-ND2 3.49Å; Y1036-N1040 WeakPolarHBondContact O-CB 3.21Å; Y1036-N1040 PolarHBondContact O-N 3.39Å; Y1036-N1040 VanDerWaalsContact O-N 3.15Å; Y1036-N1040 PolarHBondContact O-ND2 3.16Å
1037F85.8Confident83.2Confident11 Ų1138.2 Ų38.25%0.04818%0.178CC..Hα-helixtrans-75.4-24175.7-72.1-47.6000113.3L994 R1033 I1034 I1035 R1042 K1045 A1046 N1049L994-F1037 HydrophobicContact CD1-CE1 3.9Å; L994-F1037 HydrophobicContact CD1-CZ 3.84Å; L994-F1037 HydrophobicContact CD2-CE1 4.21Å; L994-F1037 HydrophobicContact CD2-CE2 4.13Å; L994-F1037 HydrophobicContact CD2-CZ 3.68Å; L994-F1037 HydrophobicContact CG-CZ 4.44Å; R1033-F1037 HydrophobicContact CG-CD2 4Å; R1033-F1037 HydrophobicContact CG-CE2 3.61Å; R1033-F1037 HydrophobicContact CG-CZ 4.49Å; R1033-F1037 WeakPolarHBondContact O-CD2 3.41Å; R1033-F1037 PolarHBondContact O-N 2.82Å; I1034-F1037 PolarHBondContact O-N 2.78Å; I1035-F1037 VanDerWaalsContact C-N 3.34Å; I1035-F1037 PolarHBondContact O-N 3.12Å; F1037-R1042 HydrophobicContact CB-CB 4.19Å; F1037-R1042 HydrophobicContact CD1-CB 3.98Å; F1037-R1042 HydrophobicContact CG-CB 4.44Å; F1037-R1042 CarbonylContact O-C 3.43Å; F1037-R1042 WeakPolarHBondContact O-CA 3.39Å; F1037-R1042 PolarHBondContact O-N 3.07Å; F1037-K1045 HydrophobicContact CB-CB 4.27Å; F1037-K1045 HydrophobicContact CD1-CB 4.02Å; F1037-K1045 HydrophobicContact CD1-CD 4.13Å; F1037-K1045 HydrophobicContact CD2-CB 3.67Å; F1037-K1045 HydrophobicContact CE1-CB 4.25Å; F1037-K1045 HydrophobicContact CE1-CD 3.72Å; F1037-K1045 HydrophobicContact CE2-CB 3.91Å; F1037-K1045 HydrophobicContact CE2-CD 4.4Å; F1037-K1045 HydrophobicContact CG-CB 3.73Å; F1037-K1045 HydrophobicContact CZ-CB 4.21Å; F1037-K1045 HydrophobicContact CZ-CD 3.87Å; F1037-A1046 HydrophobicContact CB-CB 3.87Å; F1037-N1049 WeakPolarHBondContact CD2-ND2 3.43Å
1038G78.2Confident83.9Confident2 Ų243.2 Ų43.22%0.02121%0.205CC..Hα-helixtrans-64.6-55.6169.900000112I1034 I1035 N1040 Q1041 F1070I1034-G1038 PolarHBondContact O-N 3.05Å; I1035-G1038 WeakPolarHBondContact O-CA 3.49Å; I1035-G1038 PolarHBondContact O-N 3.46Å; G1038-N1040 VanDerWaalsContact C-N 3.32Å; G1038-N1040 PolarHBondContact O-N 3.25Å; G1038-Q1041 WeakPolarHBondContact O-CA 3.36Å; G1038-Q1041 PolarHBondContact O-N 3.35Å; G1038-F1070 VanDerWaalsContact CA-CE1 3.43Å
1039I74.4Confident84.5Confident13 Ų1339.6 Ų39.67%0.06719%0.188CC..Hα-helixtrans-55.2-47177.4-63.6163.5000110.8V178 I975 A976 H979 I1035 Q1041V178-I1039 HydrophobicContact CG2-CD1 4.43Å; V178-I1039 HydrophobicContact CG2-CG1 3.92Å; I975-I1039 HydrophobicContact CG2-CG2 4.09Å; A976-I1039 HydrophobicContact CB-CD1 3.98Å; H979-I1039 WeakPolarHBondContact CD2-CG2 3.33Å; I1035-I1039 HydrophobicContact CG2-CD1 3.76Å; I1035-I1039 HydrophobicContact CG2-CG1 4.38Å; I1035-I1039 WeakPolarHBondContact O-CG1 3.37Å; I1035-I1039 PolarHBondContact O-N 2.99Å; I1039-Q1041 PolarHBondContact O-N 3.31Å
1040N78.6Confident84.7Confident43 Ų4339.6 Ų39.623%0.2319%0.188CC..THydrogen-bonded Turntrans-70.39177.4-84.7-95.8000114.9Y1036 G1038 R1042Y1036-N1040 WeakPolarHBondContact CE2-ND2 3.49Å; Y1036-N1040 WeakPolarHBondContact O-CB 3.21Å; Y1036-N1040 PolarHBondContact O-N 3.39Å; Y1036-N1040 VanDerWaalsContact O-N 3.15Å; Y1036-N1040 PolarHBondContact O-ND2 3.16Å; G1038-N1040 VanDerWaalsContact C-N 3.32Å; G1038-N1040 PolarHBondContact O-N 3.25Å; N1040-R1042 HydrophobicContact CB-CG 4.33Å; N1040-R1042 WeakPolarHBondContact O-CG 3.46Å; N1040-R1042 PolarHBondContact O-N 3.49Å
1041Q80.9Confident85.1Confident134 Ų13441.9 Ų41.963%0.62620%0.2SC*.THydrogen-bonded Turntrans5622-177.2-52-171.6-3.100114.8I174 G1038 I1039 Y1043I174-Q1041 HydrophobicContact CD1-CG 4.39Å; G1038-Q1041 WeakPolarHBondContact O-CA 3.36Å; G1038-Q1041 PolarHBondContact O-N 3.35Å; I1039-Q1041 PolarHBondContact O-N 3.31Å; Q1041-Y1043 VanDerWaalsContact C-N 3.31Å; Q1041-Y1043 HydrophobicContact CB-CE1 4.3Å; Q1041-Y1043 HydrophobicContact CB-CE2 4.39Å; Q1041-Y1043 WeakPolarHBondContact CG-OH 3.5Å; Q1041-Y1043 PolarHBondContact O-N 3Å
1042R85.3Confident85.3Confident118 Ų11844.4 Ų44.445%0.44521%0.211SC..  trans-95.449-177.5-73167.9-176.5175.61.6111F1037 N1040 T1044 K1045 A1046F1037-R1042 HydrophobicContact CB-CB 4.19Å; F1037-R1042 HydrophobicContact CD1-CB 3.98Å; F1037-R1042 HydrophobicContact CG-CB 4.44Å; F1037-R1042 CarbonylContact O-C 3.43Å; F1037-R1042 WeakPolarHBondContact O-CA 3.39Å; F1037-R1042 PolarHBondContact O-N 3.07Å; N1040-R1042 HydrophobicContact CB-CG 4.33Å; N1040-R1042 WeakPolarHBondContact O-CG 3.46Å; N1040-R1042 PolarHBondContact O-N 3.49Å; R1042-T1044 VanDerWaalsContact C-N 3.26Å; R1042-T1044 PolarHBondContact O-N 2.69Å; R1042-T1044 VanDerWaalsContact O-N 3.08Å; R1042-K1045 WeakPolarHBondContact O-CA 3.14Å; R1042-K1045 WeakPolarHBondContact O-CB 3.37Å; R1042-K1045 PolarHBondContact O-N 3.19Å; R1042-A1046 PolarHBondContact O-N 3.49Å
1043Y86.7Confident85.4Confident26 Ų2644 Ų4410%0.10221%0.209CC..Hα-helixtrans-49.8-39-171-49.3-44.6000114.5I174 Q1041 K1045 A1046 I1047 F1070 L1073 L1074I174-Y1043 WeakPolarHBondContact CD1-OH 3.41Å; Q1041-Y1043 VanDerWaalsContact C-N 3.31Å; Q1041-Y1043 HydrophobicContact CB-CE1 4.3Å; Q1041-Y1043 HydrophobicContact CB-CE2 4.39Å; Q1041-Y1043 WeakPolarHBondContact CG-OH 3.5Å; Q1041-Y1043 PolarHBondContact O-N 3Å; Y1043-K1045 VanDerWaalsContact C-N 3.29Å; Y1043-K1045 PolarHBondContact O-N 3.24Å; Y1043-A1046 WeakPolarHBondContact O-CB 3.18Å; Y1043-A1046 PolarHBondContact O-N 2.93Å; Y1043-A1046 VanDerWaalsContact O-N 3.11Å; Y1043-I1047 WeakPolarHBondContact O-CG1 3.26Å; Y1043-I1047 PolarHBondContact O-N 2.89Å; Y1043-F1070 AromaticContact CD1-CD1 3.53Å; Y1043-F1070 HydrophobicContact CD1-CD1 3.53Å; Y1043-F1070 HydrophobicContact CD1-CE1 4.1Å; Y1043-F1070 HydrophobicContact CD1-CG 4.42Å; Y1043-F1070 HydrophobicContact CE1-CD1 4.28Å; Y1043-F1070 HydrophobicContact CG-CD1 4.28Å; Y1043-L1073 HydrophobicContact CD1-CD1 4.21Å; Y1043-L1073 HydrophobicContact CD2-CB 3.96Å; Y1043-L1073 HydrophobicContact CE1-CB 4.36Å; Y1043-L1073 HydrophobicContact CE1-CD1 3.74Å; Y1043-L1073 HydrophobicContact CE2-CB 3.75Å; Y1043-L1073 HydrophobicContact CG-CB 4.37Å; Y1043-L1074 HydrophobicContact CD2-CD2 4.03Å; Y1043-L1074 HydrophobicContact CD2-CG 4.1Å; Y1043-L1074 HydrophobicContact CG-CG 4.45Å
1044T90.3Very high85.4Confident91 Ų9141.1 Ų41.156%0.55820%0.199SC*.Hα-helixtrans-61.6-34.417754.30000113.2R1042 L1048 L1074R1042-T1044 VanDerWaalsContact C-N 3.26Å; R1042-T1044 PolarHBondContact O-N 2.69Å; R1042-T1044 VanDerWaalsContact O-N 3.08Å; T1044-L1048 WeakPolarHBondContact O-CG 3.42Å; T1044-L1048 PolarHBondContact O-N 3.02Å; T1044-L1074 HydrophobicContact CG2-CD1 4.04Å; T1044-L1074 HydrophobicContact CG2-CD2 4.33Å
1045K89.3Confident85.5Confident105 Ų10549 Ų4946%0.45724%0.235SC..Hα-helixtrans-76.6-34173-66.7-171.2175.7-174.50112.2F1037 R1042 Y1043 N1049F1037-K1045 HydrophobicContact CB-CB 4.27Å; F1037-K1045 HydrophobicContact CD1-CB 4.02Å; F1037-K1045 HydrophobicContact CD1-CD 4.13Å; F1037-K1045 HydrophobicContact CD2-CB 3.67Å; F1037-K1045 HydrophobicContact CE1-CB 4.25Å; F1037-K1045 HydrophobicContact CE1-CD 3.72Å; F1037-K1045 HydrophobicContact CE2-CB 3.91Å; F1037-K1045 HydrophobicContact CE2-CD 4.4Å; F1037-K1045 HydrophobicContact CG-CB 3.73Å; F1037-K1045 HydrophobicContact CZ-CB 4.21Å; F1037-K1045 HydrophobicContact CZ-CD 3.87Å; R1042-K1045 WeakPolarHBondContact O-CA 3.14Å; R1042-K1045 WeakPolarHBondContact O-CB 3.37Å; R1042-K1045 PolarHBondContact O-N 3.19Å; Y1043-K1045 VanDerWaalsContact C-N 3.29Å; Y1043-K1045 PolarHBondContact O-N 3.24Å; K1045-N1049 PolarHBondContact O-N 3.13Å; K1045-N1049 PolarHBondContact O-ND2 3.01Å
1046A87.3Confident85.6Confident0 Ų053.4 Ų53.40%025%0.25CS..Hα-helixtrans-63.4-48.1175.100000111.3F1037 R1042 Y1043 L1048 N1049 C1050 F1070F1037-A1046 HydrophobicContact CB-CB 3.87Å; R1042-A1046 PolarHBondContact O-N 3.49Å; Y1043-A1046 WeakPolarHBondContact O-CB 3.18Å; Y1043-A1046 PolarHBondContact O-N 2.93Å; Y1043-A1046 VanDerWaalsContact O-N 3.11Å; A1046-L1048 VanDerWaalsContact C-N 3.32Å; A1046-L1048 PolarHBondContact O-N 2.7Å; A1046-N1049 PolarHBondContact O-N 2.69Å; A1046-N1049 VanDerWaalsContact O-N 3.1Å; A1046-C1050 PolarHBondContact O-N 2.73Å; A1046-C1050 PolarHBondContact O-SG 3.11Å; A1046-F1070 HydrophobicContact CB-CD1 4.45Å; A1046-F1070 HydrophobicContact CB-CD2 3.67Å; A1046-F1070 HydrophobicContact CB-CE1 4.27Å; A1046-F1070 HydrophobicContact CB-CE2 3.48Å; A1046-F1070 VanDerWaalsContact CB-CE2 3.48Å; A1046-F1070 HydrophobicContact CB-CG 4.18Å; A1046-F1070 HydrophobicContact CB-CZ 3.8Å
1047I90.5Very high85.3Confident24 Ų2455.3 Ų55.312%0.12326%0.257CS..Hα-helixtrans-57.2-39.9177.9-70.2165.6000112.3Y1043 N1049 C1050 N1051 R1067 F1070 K1071 L1074Y1043-I1047 WeakPolarHBondContact O-CG1 3.26Å; Y1043-I1047 PolarHBondContact O-N 2.89Å; I1047-N1049 VanDerWaalsContact C-N 3.34Å; I1047-N1049 PolarHBondContact O-N 3.29Å; I1047-C1050 WeakPolarHBondContact O-CB 3.32Å; I1047-C1050 PolarHBondContact O-N 2.9Å; I1047-N1051 PolarHBondContact O-N 2.87Å; I1047-R1067 HydrophobicContact CB-CG 4.45Å; I1047-R1067 HydrophobicContact CG1-CG 4.17Å; I1047-R1067 HydrophobicContact CG2-CG 4.04Å; I1047-F1070 HydrophobicContact CD1-CB 3.82Å; I1047-F1070 HydrophobicContact CG1-CB 3.66Å; I1047-F1070 HydrophobicContact CG1-CD2 4.34Å; I1047-F1070 HydrophobicContact CG1-CG 4.43Å; I1047-K1071 HydrophobicContact CD1-CG 4.03Å; I1047-L1074 HydrophobicContact CD1-CD1 3.65Å
1048L91.2Very high85.2Confident109 Ų10957.7 Ų57.757%0.57127%0.274SS*.Hα-helixtrans-60.6-41.7176.4-73.9170.6000112.3T1044 A1046 N1051 E1052T1044-L1048 WeakPolarHBondContact O-CG 3.42Å; T1044-L1048 PolarHBondContact O-N 3.02Å; A1046-L1048 VanDerWaalsContact C-N 3.32Å; A1046-L1048 PolarHBondContact O-N 2.7Å; L1048-N1051 WeakPolarHBondContact O-CB 3.33Å; L1048-N1051 PolarHBondContact O-N 3.28Å; L1048-E1052 PolarHBondContact O-N 3.48Å
1049N88.1Confident85.4Confident2 Ų263.4 Ų63.41%0.01130%0.3CS..Hα-helixtrans-72.2-34.1176.1-52.6-49.3000111.8R1033 I1034 F1037 K1045 A1046 I1047 N1051 E1052 V1053R1033-N1049 VanDerWaalsContact CZ-OD1 3.24Å; R1033-N1049 PolarHBondContact NE-OD1 3.27Å; R1033-N1049 PolarHBondContact NH2-OD1 3.06Å; I1034-N1049 HydrophobicContact CD1-CB 4.28Å; I1034-N1049 HydrophobicContact CG1-CB 3.54Å; F1037-N1049 WeakPolarHBondContact CD2-ND2 3.43Å; K1045-N1049 PolarHBondContact O-N 3.13Å; K1045-N1049 PolarHBondContact O-ND2 3.01Å; A1046-N1049 PolarHBondContact O-N 2.69Å; A1046-N1049 VanDerWaalsContact O-N 3.1Å; I1047-N1049 VanDerWaalsContact C-N 3.34Å; I1047-N1049 PolarHBondContact O-N 3.29Å; N1049-N1051 PolarHBondContact O-N 3.37Å; N1049-E1052 PolarHBondContact O-N 3.21Å; N1049-E1052 VanDerWaalsContact O-N 3.17Å; N1049-V1053 WeakPolarHBondContact O-CG2 3.28Å; N1049-V1053 PolarHBondContact O-N 3.13Å
1050C88.9Confident85.6Confident0 Ų065 Ų650%031%0.305CS..Hα-helixtrans-57.3-41.2172.7-60.70000110.7I1034 A1046 I1047 V1053 I1054 I1063 R1067I1034-C1050 HydrophobicContact CD1-CB 4.43Å; A1046-C1050 PolarHBondContact O-N 2.73Å; A1046-C1050 PolarHBondContact O-SG 3.11Å; I1047-C1050 WeakPolarHBondContact O-CB 3.32Å; I1047-C1050 PolarHBondContact O-N 2.9Å; C1050-V1053 PolarHBondContact O-N 3.43Å; C1050-I1054 WeakPolarHBondContact O-CB 3.47Å; C1050-I1054 VanDerWaalsContact O-CG1 3.28Å; C1050-I1054 WeakPolarHBondContact O-CG1 3.33Å; C1050-I1054 PolarHBondContact O-N 3.13Å; C1050-I1063 HydrophobicContact CB-CG2 3.8Å; C1050-R1067 HydrophobicContact CB-CB 3.95Å; C1050-R1067 HydrophobicContact CB-CG 3.94Å
1051N92.2Very high85.8Confident51 Ų5164 Ų6427%0.27330%0.301SS..Hα-helixtrans-63.4-44.8175.3-64.9-16.7000112I1047 L1048 N1049 V1053 I1054 H1055 R1067I1047-N1051 PolarHBondContact O-N 2.87Å; L1048-N1051 WeakPolarHBondContact O-CB 3.33Å; L1048-N1051 PolarHBondContact O-N 3.28Å; N1049-N1051 PolarHBondContact O-N 3.37Å; N1051-V1053 VanDerWaalsContact C-N 3.27Å; N1051-V1053 PolarHBondContact O-N 3.27Å; N1051-I1054 PolarHBondContact O-N 2.65Å; N1051-H1055 PolarHBondContact O-CD2 2.83Å; N1051-H1055 PolarHBondContact O-N 3.42Å; N1051-R1067 WeakPolarHBondContact OD1-CD 3.43Å; N1051-R1067 PolarHBondContact OD1-NH1 3.48Å
1052E86.2Confident85.7Confident85 Ų8560.1 Ų60.140%0.39728%0.281SS..Hα-helixtrans-58.9-36.7175.2-73.7-171.7-152.800113L1030 L1048 N1049 R1056L1030-E1052 HydrophobicContact CD1-CB 4.37Å; L1048-E1052 PolarHBondContact O-N 3.48Å; N1049-E1052 PolarHBondContact O-N 3.21Å; N1049-E1052 VanDerWaalsContact O-N 3.17Å; E1052-R1056 WeakPolarHBondContact O-CD 3.29Å; E1052-R1056 WeakPolarHBondContact O-CG 3.45Å
1053V84.8Confident85.7Confident0 Ų054.5 Ų54.50%026%0.259CS..Hα-helixtrans-75.3-42.2177.2179.80000111.7L1030 I1034 N1049 C1050 N1051 H1055 R1056 R1057 W1060 I1063L1030-V1053 HydrophobicContact CB-CG2 3.31Å; L1030-V1053 HydrophobicContact CD1-CG2 3.69Å; L1030-V1053 HydrophobicContact CG-CG2 4.09Å; I1034-V1053 HydrophobicContact CD1-CG2 4.02Å; N1049-V1053 WeakPolarHBondContact O-CG2 3.28Å; N1049-V1053 PolarHBondContact O-N 3.13Å; C1050-V1053 PolarHBondContact O-N 3.43Å; N1051-V1053 VanDerWaalsContact C-N 3.27Å; N1051-V1053 PolarHBondContact O-N 3.27Å; V1053-H1055 PolarHBondContact O-N 2.8Å; V1053-R1056 CarbonylContact O-C 3.56Å; V1053-R1056 WeakPolarHBondContact O-CA 3.48Å; V1053-R1056 WeakPolarHBondContact O-CB 3.49Å; V1053-R1056 PolarHBondContact O-N 3.11Å; V1053-R1057 PolarHBondContact O-N 3.37Å; V1053-W1060 HydrophobicContact CG1-CD2 4.43Å; V1053-W1060 HydrophobicContact CG1-CE3 3.31Å; V1053-W1060 HydrophobicContact CG1-CZ3 3.52Å; V1053-I1063 HydrophobicContact CB-CD1 4.44Å; V1053-I1063 HydrophobicContact CB-CG1 4.41Å; V1053-I1063 HydrophobicContact CB-CG2 4.12Å; V1053-I1063 HydrophobicContact CG1-CB 4.5Å; V1053-I1063 HydrophobicContact CG1-CD1 3.88Å; V1053-I1063 HydrophobicContact CG1-CG1 3.68Å; V1053-I1063 HydrophobicContact CG1-CG2 4.26Å
1054I87.8Confident85.9Confident15 Ų1554.7 Ų54.78%0.07726%0.26CS..Hα-helixtrans-59.6-36.2176-74.2164.3000111.1C1050 N1051 R1056 R1057 P1058 I1063 W1064C1050-I1054 WeakPolarHBondContact O-CB 3.47Å; C1050-I1054 VanDerWaalsContact O-CG1 3.28Å; C1050-I1054 WeakPolarHBondContact O-CG1 3.33Å; C1050-I1054 PolarHBondContact O-N 3.13Å; N1051-I1054 PolarHBondContact O-N 2.65Å; I1054-R1056 PolarHBondContact O-N 2.92Å; I1054-R1057 CarbonylContact O-C 3.29Å; I1054-P1058 WeakPolarHBondContact O-CA 3.49Å; I1054-I1063 HydrophobicContact CD1-CG2 4.06Å; I1054-I1063 HydrophobicContact CG1-CB 4.36Å; I1054-I1063 HydrophobicContact CG1-CG2 3.8Å; I1054-W1064 HydrophobicContact CB-CZ2 4.47Å; I1054-W1064 HydrophobicContact CD1-CD2 3.83Å; I1054-W1064 HydrophobicContact CD1-CE3 4.01Å; I1054-W1064 HydrophobicContact CD1-CG 4.3Å; I1054-W1064 HydrophobicContact CD1-CH2 4.47Å; I1054-W1064 HydrophobicContact CD1-CZ2 4.31Å; I1054-W1064 HydrophobicContact CD1-CZ3 4.34Å; I1054-W1064 HydrophobicContact CG1-CD2 4.26Å; I1054-W1064 HydrophobicContact CG1-CZ2 4.25Å; I1054-W1064 HydrophobicContact CG2-CH2 3.8Å; I1054-W1064 HydrophobicContact CG2-CZ2 3.4Å; I1054-W1064 VanDerWaalsContact CG2-CZ2 3.4Å
1055H86.4Confident85.6Confident166 Ų16650.6 Ų50.677%0.76923%0.234SC*.THydrogen-bonded Turntrans-68-15.4172.6-71.3-53.6000114.4N1051 V1053N1051-H1055 PolarHBondContact O-CD2 2.83Å; N1051-H1055 PolarHBondContact O-N 3.42Å; V1053-H1055 PolarHBondContact O-N 2.8Å
1056R81.3Confident85.4Confident117 Ų11745.7 Ų45.744%0.44221%0.213SC..THydrogen-bonded Turntrans-99.2-44.5176.6-65.7166.7-174.4-88.22.6112.6D1027 E1052 V1053 I1054D1027-R1056 WeakPolarHBondContact OD1-CD 3.18Å; E1052-R1056 WeakPolarHBondContact O-CD 3.29Å; E1052-R1056 WeakPolarHBondContact O-CG 3.45Å; V1053-R1056 CarbonylContact O-C 3.56Å; V1053-R1056 WeakPolarHBondContact O-CA 3.48Å; V1053-R1056 WeakPolarHBondContact O-CB 3.49Å; V1053-R1056 PolarHBondContact O-N 3.11Å; I1054-R1056 PolarHBondContact O-N 2.92Å
1057R78Confident85.5Confident49 Ų4947.2 Ų47.219%0.18522%0.219CC..  trans-132.686.8178.5-62-167.2-163.4-149.53.5109.9E243 N1024 D1027 V1053 I1054 E1059 W1060E243-R1057 IonicContact OE1-CZ 3.12Å; E243-R1057 IonicContact OE1-NH1 2.76Å; E243-R1057 PolarHBondContact OE1-NH1 3.08Å; N1024-R1057 PolarHBondContact OD1-NH2 3.07Å; D1027-R1057 IonicContact OD2-CZ 3.33Å; D1027-R1057 IonicContact OD2-NE 2.67Å; D1027-R1057 PolarHBondContact OD2-NE 2.85Å; D1027-R1057 IonicContact OD2-NH2 3.84Å; D1027-R1057 PolarHBondContact OD2-NH2 2.99Å; V1053-R1057 PolarHBondContact O-N 3.37Å; I1054-R1057 CarbonylContact O-C 3.29Å; R1057-E1059 PolarHBondContact O-N 2.82Å; R1057-W1060 HydrophobicContact CB-CB 3.93Å; R1057-W1060 PolarHBondContact O-N 3.23Å
1058P82.9Confident85.4Confident62 Ų6246.1 Ų46.140%0.40321%0.213SC..THydrogen-bonded Turntrans-64.9-22.1176.926.6-34.8000112.8I1054 W1060 W1064I1054-P1058 WeakPolarHBondContact O-CA 3.49Å; P1058-W1060 VanDerWaalsContact C-N 3.31Å; P1058-W1060 PolarHBondContact O-N 3.38Å; P1058-W1064 PolarHBondContact O-NE1 3.24Å
1059E81.8Confident85.1Confident121 Ų12141 Ų4157%0.56519%0.186SC*.THydrogen-bonded Turntrans-78.8-6.4177.5-50-50.1120.600114R1057 T1061 K1090R1057-E1059 PolarHBondContact O-N 2.82Å; E1059-T1061 PolarHBondContact O-N 3.2Å; E1059-K1090 IonicContact OE1-NZ 2.72Å; E1059-K1090 PolarHBondContact OE1-NZ 3.38Å; E1059-K1090 WeakPolarHBondContact OE2-CE 3.48Å; E1059-K1090 IonicContact OE2-NZ 3.38Å; E1059-K1090 PolarHBondContact OE2-NZ 2.9Å
1060W79.9Confident85.1Confident47 Ų4740.9 Ų40.918%0.17819%0.186CC..  trans-82.279.5-175.4-165.18.5000111.6D1027 L1031 V1053 R1057 P1058 R1062 I1063D1027-W1060 HydrophobicContact CB-CH2 4.46Å; D1027-W1060 HydrophobicContact CB-CZ3 3.88Å; L1031-W1060 HydrophobicContact CB-CH2 4Å; L1031-W1060 HydrophobicContact CD1-CH2 4.39Å; L1031-W1060 HydrophobicContact CD1-CZ2 4.4Å; L1031-W1060 HydrophobicContact CD2-CH2 4.02Å; L1031-W1060 HydrophobicContact CD2-CZ2 3.99Å; L1031-W1060 HydrophobicContact CG-CH2 4.37Å; V1053-W1060 HydrophobicContact CG1-CD2 4.43Å; V1053-W1060 HydrophobicContact CG1-CE3 3.31Å; V1053-W1060 HydrophobicContact CG1-CZ3 3.52Å; R1057-W1060 HydrophobicContact CB-CB 3.93Å; R1057-W1060 PolarHBondContact O-N 3.23Å; P1058-W1060 VanDerWaalsContact C-N 3.31Å; P1058-W1060 PolarHBondContact O-N 3.38Å; W1060-R1062 PolarHBondContact O-N 3.09Å; W1060-I1063 HydrophobicContact CB-CG1 4.14Å; W1060-I1063 HydrophobicContact CD2-CD1 4Å; W1060-I1063 HydrophobicContact CD2-CG1 3.58Å; W1060-I1063 HydrophobicContact CE3-CD1 3.9Å; W1060-I1063 HydrophobicContact CE3-CG1 3.66Å; W1060-I1063 HydrophobicContact CG-CG1 3.79Å; W1060-I1063 HydrophobicContact CH2-CD1 4.27Å; W1060-I1063 HydrophobicContact CZ2-CD1 4.38Å; W1060-I1063 HydrophobicContact CZ3-CD1 4.01Å; W1060-I1063 HydrophobicContact CZ3-CG1 4.3Å; W1060-I1063 PolarHBondContact O-N 3.3Å
1061T82Confident85.1Confident23 Ų2342.2 Ų42.214%0.14119%0.191CC..Hα-helixtrans-38.6-48.2-177.3-510000113.8E1059 I1063 W1064 I1065 A1087 K1090 D1091E1059-T1061 PolarHBondContact O-N 3.2Å; T1061-I1063 PolarHBondContact O-N 3.11Å; T1061-W1064 WeakPolarHBondContact O-CB 3.46Å; T1061-W1064 PolarHBondContact O-N 3.18Å; T1061-I1065 HydrophobicContact CG2-CD1 4.08Å; T1061-I1065 HydrophobicContact CG2-CG1 4.41Å; T1061-I1065 PolarHBondContact O-N 2.95Å; T1061-A1087 HydrophobicContact CG2-CB 4.07Å; T1061-A1087 WeakPolarHBondContact CG2-O 3.28Å; T1061-K1090 HydrophobicContact CG2-CB 4.49Å; T1061-K1090 WeakPolarHBondContact OG1-CB 3.36Å; T1061-D1091 HydrophobicContact CG2-CB 3.73Å
1062R78.2Confident84.8Confident52 Ų5241.6 Ų41.620%0.19619%0.186CC..Hα-helixtrans-51-37.3-175.7-150.7175.6-167.475.534.1113.5S180 D181 D184 W1060 I1065 Y1066S180-R1062 PolarHBondContact O-NH2 2.99Å; D181-R1062 VanDerWaalsContact CA-NH2 3.26Å; D181-R1062 IonicContact OD1-CZ 3.24Å; D181-R1062 IonicContact OD1-NE 3.45Å; D181-R1062 PolarHBondContact OD1-NE 3.24Å; D181-R1062 IonicContact OD1-NH2 2.88Å; D181-R1062 PolarHBondContact OD1-NH2 3.22Å; D184-R1062 IonicContact OD2-CZ 2.7Å; D184-R1062 IonicContact OD2-NH1 3.85Å; D184-R1062 PolarHBondContact OD2-NH1 3.45Å; D184-R1062 IonicContact OD2-NH2 2.68Å; D184-R1062 PolarHBondContact OD2-NH2 3.31Å; W1060-R1062 PolarHBondContact O-N 3.09Å; R1062-I1065 PolarHBondContact O-N 2.75Å; R1062-Y1066 HydrophobicContact CB-CE2 4.49Å; R1062-Y1066 VanDerWaalsContact CD-OH 3.28Å; R1062-Y1066 WeakPolarHBondContact CD-OH 3.19Å; R1062-Y1066 HydrophobicContact CG-CE1 4.21Å; R1062-Y1066 HydrophobicContact CG-CE2 4Å; R1062-Y1066 PolarHBondContact NE-OH 3.35Å; R1062-Y1066 VanDerWaalsContact NE-OH 3.16Å; R1062-Y1066 VanDerWaalsContact O-CD2 3.28Å; R1062-Y1066 WeakPolarHBondContact O-CD2 3.19Å; R1062-Y1066 PolarHBondContact O-N 3.31Å; R1062-Y1066 VanDerWaalsContact O-N 3.07Å
1063I86.9Confident84.6Confident0 Ų038.9 Ų38.90%017%0.174CC..Hα-helixtrans-72-36.4-178.5-51.8-67.3000112L1031 I1034 C1050 V1053 I1054 W1060 T1061 I1065 Y1066 R1067L1031-I1063 HydrophobicContact CD1-CD1 4.05Å; I1034-I1063 HydrophobicContact CD1-CD1 4Å; I1034-I1063 HydrophobicContact CD1-CG2 4.42Å; C1050-I1063 HydrophobicContact CB-CG2 3.8Å; V1053-I1063 HydrophobicContact CB-CD1 4.44Å; V1053-I1063 HydrophobicContact CB-CG1 4.41Å; V1053-I1063 HydrophobicContact CB-CG2 4.12Å; V1053-I1063 HydrophobicContact CG1-CB 4.5Å; V1053-I1063 HydrophobicContact CG1-CD1 3.88Å; V1053-I1063 HydrophobicContact CG1-CG1 3.68Å; V1053-I1063 HydrophobicContact CG1-CG2 4.26Å; I1054-I1063 HydrophobicContact CD1-CG2 4.06Å; I1054-I1063 HydrophobicContact CG1-CB 4.36Å; I1054-I1063 HydrophobicContact CG1-CG2 3.8Å; W1060-I1063 HydrophobicContact CB-CG1 4.14Å; W1060-I1063 HydrophobicContact CD2-CD1 4Å; W1060-I1063 HydrophobicContact CD2-CG1 3.58Å; W1060-I1063 HydrophobicContact CE3-CD1 3.9Å; W1060-I1063 HydrophobicContact CE3-CG1 3.66Å; W1060-I1063 HydrophobicContact CG-CG1 3.79Å; W1060-I1063 HydrophobicContact CH2-CD1 4.27Å; W1060-I1063 HydrophobicContact CZ2-CD1 4.38Å; W1060-I1063 HydrophobicContact CZ3-CD1 4.01Å; W1060-I1063 HydrophobicContact CZ3-CG1 4.3Å; W1060-I1063 PolarHBondContact O-N 3.3Å; T1061-I1063 PolarHBondContact O-N 3.11Å; I1063-I1065 VanDerWaalsContact C-N 3.34Å; I1063-Y1066 HydrophobicContact CD1-CD2 4.15Å; I1063-Y1066 HydrophobicContact CD1-CE2 4.06Å; I1063-R1067 WeakPolarHBondContact O-CB 3.11Å; I1063-R1067 PolarHBondContact O-N 3.21Å
1064W89Confident84.7Confident29 Ų2942.2 Ų42.211%0.1119%0.191CC..Hα-helixtrans-64.2-42.1173.6-65.895.3000110.7I1054 P1058 T1061 R1067 G1068 I1086 A1087I1054-W1064 HydrophobicContact CB-CZ2 4.47Å; I1054-W1064 HydrophobicContact CD1-CD2 3.83Å; I1054-W1064 HydrophobicContact CD1-CE3 4.01Å; I1054-W1064 HydrophobicContact CD1-CG 4.3Å; I1054-W1064 HydrophobicContact CD1-CH2 4.47Å; I1054-W1064 HydrophobicContact CD1-CZ2 4.31Å; I1054-W1064 HydrophobicContact CD1-CZ3 4.34Å; I1054-W1064 HydrophobicContact CG1-CD2 4.26Å; I1054-W1064 HydrophobicContact CG1-CZ2 4.25Å; I1054-W1064 HydrophobicContact CG2-CH2 3.8Å; I1054-W1064 HydrophobicContact CG2-CZ2 3.4Å; I1054-W1064 VanDerWaalsContact CG2-CZ2 3.4Å; P1058-W1064 PolarHBondContact O-NE1 3.24Å; T1061-W1064 WeakPolarHBondContact O-CB 3.46Å; T1061-W1064 PolarHBondContact O-N 3.18Å; W1064-R1067 PolarHBondContact O-N 2.98Å; W1064-G1068 PolarHBondContact O-N 2.99Å; W1064-I1086 HydrophobicContact CD2-CB 4.3Å; W1064-I1086 HydrophobicContact CD2-CG2 3.65Å; W1064-I1086 HydrophobicContact CE3-CB 3.89Å; W1064-I1086 HydrophobicContact CE3-CD1 4.08Å; W1064-I1086 HydrophobicContact CE3-CG2 3.61Å; W1064-I1086 HydrophobicContact CG-CG2 4.33Å; W1064-I1086 HydrophobicContact CH2-CD1 4.09Å; W1064-I1086 HydrophobicContact CH2-CG2 3.81Å; W1064-I1086 HydrophobicContact CZ2-CG2 3.84Å; W1064-I1086 HydrophobicContact CZ3-CB 4.08Å; W1064-I1086 HydrophobicContact CZ3-CD1 3.48Å; W1064-I1086 VanDerWaalsContact CZ3-CD1 3.48Å; W1064-I1086 HydrophobicContact CZ3-CG1 4.36Å; W1064-I1086 HydrophobicContact CZ3-CG2 3.68Å; W1064-A1087 HydrophobicContact CB-CB 3.97Å
1065I85.4Confident84.5Confident5 Ų548.8 Ų48.83%0.02622%0.219CC..Hα-helixtrans-61.2-54176.9-53169.9000110.3T1061 R1062 I1063 R1067 G1068 V1069 L1084 A1087 S1094 L1096 A1097T1061-I1065 HydrophobicContact CG2-CD1 4.08Å; T1061-I1065 HydrophobicContact CG2-CG1 4.41Å; T1061-I1065 PolarHBondContact O-N 2.95Å; R1062-I1065 PolarHBondContact O-N 2.75Å; I1063-I1065 VanDerWaalsContact C-N 3.34Å; I1065-R1067 VanDerWaalsContact C-N 3.25Å; I1065-R1067 PolarHBondContact O-N 2.5Å; I1065-G1068 CarbonylContact O-C 3.55Å; I1065-G1068 WeakPolarHBondContact O-CA 3.35Å; I1065-G1068 PolarHBondContact O-N 2.9Å; I1065-V1069 HydrophobicContact CG2-CG2 4.24Å; I1065-V1069 WeakPolarHBondContact O-CG2 3.45Å; I1065-V1069 PolarHBondContact O-N 3.46Å; I1065-L1084 HydrophobicContact CG2-CD2 4.13Å; I1065-A1087 HydrophobicContact CG1-CB 3.65Å; I1065-S1094 WeakPolarHBondContact CD1-OG 3.47Å; I1065-L1096 HydrophobicContact CD1-CD2 4.34Å; I1065-L1096 HydrophobicContact CG2-CD2 3.78Å; I1065-L1096 HydrophobicContact CG2-CG 3.9Å; I1065-A1097 HydrophobicContact CD1-CB 4.12Å; I1065-A1097 HydrophobicContact CG1-CB 4.07Å
1066Y83.8Confident84.7Confident2 Ų243.4 Ų43.41%0.00820%0.198CC..Hα-helixtrans-54.6-42.9177.5-54.5-46.5000112.1I177 D181 L1031 I1034 R1062 I1063 G1068 V1069 F1070I177-Y1066 HydrophobicContact CG1-CD1 4.45Å; I177-Y1066 HydrophobicContact CG2-CD1 3.8Å; I177-Y1066 HydrophobicContact CG2-CE1 3.89Å; D181-Y1066 WeakPolarHBondContact OD1-CE1 3.4Å; D181-Y1066 PolarHBondContact OD1-OH 2.91Å; D181-Y1066 PolarHBondContact OD2-OH 2.92Å; L1031-Y1066 HydrophobicContact CD1-CE2 3.54Å; I1034-Y1066 HydrophobicContact CG2-CD2 4.06Å; I1034-Y1066 HydrophobicContact CG2-CG 4.49Å; R1062-Y1066 HydrophobicContact CB-CE2 4.49Å; R1062-Y1066 VanDerWaalsContact CD-OH 3.28Å; R1062-Y1066 WeakPolarHBondContact CD-OH 3.19Å; R1062-Y1066 HydrophobicContact CG-CE1 4.21Å; R1062-Y1066 HydrophobicContact CG-CE2 4Å; R1062-Y1066 PolarHBondContact NE-OH 3.35Å; R1062-Y1066 VanDerWaalsContact NE-OH 3.16Å; R1062-Y1066 VanDerWaalsContact O-CD2 3.28Å; R1062-Y1066 WeakPolarHBondContact O-CD2 3.19Å; R1062-Y1066 PolarHBondContact O-N 3.31Å; R1062-Y1066 VanDerWaalsContact O-N 3.07Å; I1063-Y1066 HydrophobicContact CD1-CD2 4.15Å; I1063-Y1066 HydrophobicContact CD1-CE2 4.06Å; Y1066-G1068 VanDerWaalsContact C-N 3.3Å; Y1066-G1068 PolarHBondContact O-N 2.96Å; Y1066-V1069 PolarHBondContact O-N 2.87Å; Y1066-F1070 WeakPolarHBondContact O-CB 3.42Å; Y1066-F1070 WeakPolarHBondContact O-CD2 3.4Å; Y1066-F1070 VanDerWaalsContact O-CG 3.25Å; Y1066-F1070 WeakPolarHBondContact O-CG 3.3Å; Y1066-F1070 PolarHBondContact O-N 3.46Å
1067R89.9Confident85Confident33 Ų3340.3 Ų40.313%0.12519%0.187CC..Hα-helixtrans-63.5-38.2179.6-158.5179.872.7-174.8-4.2111.4I1047 C1050 N1051 I1063 W1064 I1065 K1071 D1083I1047-R1067 HydrophobicContact CB-CG 4.45Å; I1047-R1067 HydrophobicContact CG1-CG 4.17Å; I1047-R1067 HydrophobicContact CG2-CG 4.04Å; C1050-R1067 HydrophobicContact CB-CB 3.95Å; C1050-R1067 HydrophobicContact CB-CG 3.94Å; N1051-R1067 WeakPolarHBondContact OD1-CD 3.43Å; N1051-R1067 PolarHBondContact OD1-NH1 3.48Å; I1063-R1067 WeakPolarHBondContact O-CB 3.11Å; I1063-R1067 PolarHBondContact O-N 3.21Å; W1064-R1067 PolarHBondContact O-N 2.98Å; I1065-R1067 VanDerWaalsContact C-N 3.25Å; I1065-R1067 PolarHBondContact O-N 2.5Å; R1067-K1071 WeakPolarHBondContact O-CD 3.5Å; R1067-K1071 VanDerWaalsContact O-CG 3.26Å; R1067-K1071 WeakPolarHBondContact O-CG 3.36Å; R1067-K1071 PolarHBondContact O-N 2.91Å; R1067-D1083 WeakPolarHBondContact CB-OD2 3.34Å; R1067-D1083 VanDerWaalsContact CG-OD2 3.31Å; R1067-D1083 WeakPolarHBondContact CG-OD2 3.37Å; R1067-D1083 IonicContact CZ-OD1 3.19Å; R1067-D1083 IonicContact CZ-OD2 2.86Å; R1067-D1083 IonicContact NE-OD1 3.63Å; R1067-D1083 PolarHBondContact NE-OD1 3.27Å; R1067-D1083 IonicContact NE-OD2 3.19Å; R1067-D1083 PolarHBondContact NE-OD2 3.03Å; R1067-D1083 IonicContact NH2-OD1 3.78Å; R1067-D1083 PolarHBondContact NH2-OD1 3.43Å; R1067-D1083 IonicContact NH2-OD2 2.69Å
1068G88.6Confident85.6Confident0 Ų042.9 Ų42.90%020%0.204CC..Hα-helixtrans-57.4-56.9167.100000112.2W1064 I1065 Y1066 F1070 K1071 Y1072 C1080 D1083W1064-G1068 PolarHBondContact O-N 2.99Å; I1065-G1068 CarbonylContact O-C 3.55Å; I1065-G1068 WeakPolarHBondContact O-CA 3.35Å; I1065-G1068 PolarHBondContact O-N 2.9Å; Y1066-G1068 VanDerWaalsContact C-N 3.3Å; Y1066-G1068 PolarHBondContact O-N 2.96Å; G1068-F1070 VanDerWaalsContact C-N 3.33Å; G1068-F1070 PolarHBondContact O-N 3.33Å; G1068-K1071 CarbonylContact O-C 3.53Å; G1068-K1071 WeakPolarHBondContact O-CA 3.44Å; G1068-K1071 WeakPolarHBondContact O-CB 3.42Å; G1068-K1071 PolarHBondContact O-N 3.48Å; G1068-Y1072 PolarHBondContact O-N 3.31Å; G1068-C1080 VanDerWaalsContact C-SG 3.5Å; G1068-C1080 PolarHBondContact O-SG 3.4Å; G1068-D1083 PolarHBondContact N-OD2 3.22Å
1069V85.2Confident86Confident1 Ų146.1 Ų46.11%0.00621%0.212CC..Hα-helixtrans-61.2-39.5-177-171.90000112.1P173 I177 I1065 Y1066 K1071 Y1072 L1073 H1100P173-V1069 HydrophobicContact CB-CG1 3.44Å; P173-V1069 VanDerWaalsContact CB-CG1 3.44Å; I177-V1069 HydrophobicContact CD1-CB 3.9Å; I177-V1069 HydrophobicContact CD1-CG1 3.66Å; I177-V1069 HydrophobicContact CG1-CB 4.17Å; I177-V1069 HydrophobicContact CG1-CG1 3.94Å; I177-V1069 HydrophobicContact CG1-CG2 4.48Å; I1065-V1069 HydrophobicContact CG2-CG2 4.24Å; I1065-V1069 WeakPolarHBondContact O-CG2 3.45Å; I1065-V1069 PolarHBondContact O-N 3.46Å; Y1066-V1069 PolarHBondContact O-N 2.87Å; V1069-K1071 VanDerWaalsContact C-N 3.28Å; V1069-K1071 PolarHBondContact O-N 3.32Å; V1069-Y1072 WeakPolarHBondContact O-CB 3.43Å; V1069-Y1072 PolarHBondContact O-N 3.46Å; V1069-L1073 HydrophobicContact CG1-CD1 4.04Å; V1069-L1073 HydrophobicContact CG1-CG 4.42Å; V1069-L1073 WeakPolarHBondContact O-CB 3.38Å; V1069-L1073 VanDerWaalsContact O-CG 3.31Å; V1069-L1073 WeakPolarHBondContact O-CG 3.49Å; V1069-L1073 PolarHBondContact O-N 3.48Å; V1069-H1100 WeakPolarHBondContact CG2-CD2 3.44Å; V1069-H1100 VanDerWaalsContact CG2-NE2 3.29Å; V1069-H1100 WeakPolarHBondContact CG2-NE2 2.98Å
1070F88Confident86.5Confident0 Ų040.4 Ų40.40%019%0.185CC..Hα-helixtrans-63.7-30.7173.7-65.5-40.8000113.4I177 I1034 G1038 Y1043 A1046 I1047 Y1066 G1068 L1073 L1074I177-F1070 HydrophobicContact CD1-CD1 3.97Å; I177-F1070 HydrophobicContact CD1-CE1 3.44Å; I177-F1070 VanDerWaalsContact CD1-CE1 3.44Å; I177-F1070 HydrophobicContact CD1-CZ 3.91Å; I1034-F1070 HydrophobicContact CG2-CE2 3.61Å; I1034-F1070 HydrophobicContact CG2-CZ 4.11Å; G1038-F1070 VanDerWaalsContact CA-CE1 3.43Å; Y1043-F1070 AromaticContact CD1-CD1 3.53Å; Y1043-F1070 HydrophobicContact CD1-CD1 3.53Å; Y1043-F1070 HydrophobicContact CD1-CE1 4.1Å; Y1043-F1070 HydrophobicContact CD1-CG 4.42Å; Y1043-F1070 HydrophobicContact CE1-CD1 4.28Å; Y1043-F1070 HydrophobicContact CG-CD1 4.28Å; A1046-F1070 HydrophobicContact CB-CD1 4.45Å; A1046-F1070 HydrophobicContact CB-CD2 3.67Å; A1046-F1070 HydrophobicContact CB-CE1 4.27Å; A1046-F1070 HydrophobicContact CB-CE2 3.48Å; A1046-F1070 VanDerWaalsContact CB-CE2 3.48Å; A1046-F1070 HydrophobicContact CB-CG 4.18Å; A1046-F1070 HydrophobicContact CB-CZ 3.8Å; I1047-F1070 HydrophobicContact CD1-CB 3.82Å; I1047-F1070 HydrophobicContact CG1-CB 3.66Å; I1047-F1070 HydrophobicContact CG1-CD2 4.34Å; I1047-F1070 HydrophobicContact CG1-CG 4.43Å; Y1066-F1070 WeakPolarHBondContact O-CB 3.42Å; Y1066-F1070 WeakPolarHBondContact O-CD2 3.4Å; Y1066-F1070 VanDerWaalsContact O-CG 3.25Å; Y1066-F1070 WeakPolarHBondContact O-CG 3.3Å; Y1066-F1070 PolarHBondContact O-N 3.46Å; G1068-F1070 VanDerWaalsContact C-N 3.33Å; G1068-F1070 PolarHBondContact O-N 3.33Å; F1070-L1073 HydrophobicContact CD1-CD1 4.28Å; F1070-L1074 WeakPolarHBondContact O-CB 3.41Å; F1070-L1074 VanDerWaalsContact O-CG 3.25Å; F1070-L1074 WeakPolarHBondContact O-CG 3.29Å; F1070-L1074 PolarHBondContact O-N 3.47Å; F1070-L1074 VanDerWaalsContact O-N 3.11Å
1071K89.7Confident87.1Confident28 Ų2839.8 Ų39.812%0.12219%0.185CC..Hα-helixtrans-74-40171.3-71164.5165.7-177.60112I1047 R1067 G1068 V1069 L1073 L1074 K1075 T1076 F1079 C1080 D1083I1047-K1071 HydrophobicContact CD1-CG 4.03Å; R1067-K1071 WeakPolarHBondContact O-CD 3.5Å; R1067-K1071 VanDerWaalsContact O-CG 3.26Å; R1067-K1071 WeakPolarHBondContact O-CG 3.36Å; R1067-K1071 PolarHBondContact O-N 2.91Å; G1068-K1071 CarbonylContact O-C 3.53Å; G1068-K1071 WeakPolarHBondContact O-CA 3.44Å; G1068-K1071 WeakPolarHBondContact O-CB 3.42Å; G1068-K1071 PolarHBondContact O-N 3.48Å; V1069-K1071 VanDerWaalsContact C-N 3.28Å; V1069-K1071 PolarHBondContact O-N 3.32Å; K1071-L1073 VanDerWaalsContact C-N 3.32Å; K1071-L1073 PolarHBondContact O-N 2.91Å; K1071-L1074 CarbonylContact O-C 3.48Å; K1071-L1074 WeakPolarHBondContact O-CA 3.4Å; K1071-L1074 PolarHBondContact O-N 3.16Å; K1071-L1074 VanDerWaalsContact O-N 3.13Å; K1071-K1075 PolarHBondContact O-N 3.37Å; K1071-T1076 WeakPolarHBondContact CA-OG1 3.39Å; K1071-T1076 WeakPolarHBondContact CB-OG1 3.28Å; K1071-T1076 PolarHBondContact O-N 3.09Å; K1071-T1076 PolarHBondContact O-OG1 3.05Å; K1071-F1079 HydrophobicContact CD-CB 3.73Å; K1071-F1079 WeakPolarHBondContact CD-O 3.3Å; K1071-F1079 HydrophobicContact CG-CB 4.46Å; K1071-F1079 PolarHBondContact NZ-O 3.45Å; K1071-C1080 HydrophobicContact CB-CB 4.08Å; K1071-D1083 WeakPolarHBondContact CD-OD2 3.46Å; K1071-D1083 VanDerWaalsContact CE-OD2 3.27Å; K1071-D1083 WeakPolarHBondContact CE-OD2 3.43Å; K1071-D1083 IonicContact NZ-OD1 2.69Å; K1071-D1083 PolarHBondContact NZ-OD1 2.87Å; K1071-D1083 IonicContact NZ-OD2 3.89Å; K1071-D1083 PolarHBondContact NZ-OD2 3.48Å
1072Y86Confident87.6Confident38 Ų3841 Ų4115%0.14920%0.197CC..Hα-helixtrans-57.2-45.8171.6-179.1-81.8000111.4P173 G1068 V1069 L1074 K1075 Y1077 L1103 I1107P173-Y1072 HydrophobicContact CG-CD1 3.75Å; P173-Y1072 HydrophobicContact CG-CE1 3.56Å; G1068-Y1072 PolarHBondContact O-N 3.31Å; V1069-Y1072 WeakPolarHBondContact O-CB 3.43Å; V1069-Y1072 PolarHBondContact O-N 3.46Å; Y1072-L1074 VanDerWaalsContact C-N 3.3Å; Y1072-L1074 PolarHBondContact O-N 2.87Å; Y1072-K1075 WeakPolarHBondContact O-CA 3.43Å; Y1072-K1075 PolarHBondContact O-N 3.12Å; Y1072-Y1077 AromaticContact CD2-CD1 3.76Å; Y1072-Y1077 HydrophobicContact CD2-CD1 3.76Å; Y1072-Y1077 AromaticContact CD2-CE1 3.94Å; Y1072-Y1077 HydrophobicContact CD2-CE1 3.94Å; Y1072-Y1077 HydrophobicContact CE2-CD1 4.19Å; Y1072-Y1077 HydrophobicContact CE2-CE1 4.1Å; Y1072-Y1077 HydrophobicContact CG-CD1 4.29Å; Y1072-Y1077 HydrophobicContact CG-CE1 4.25Å; Y1072-L1103 HydrophobicContact CE2-CB 3.75Å; Y1072-I1107 HydrophobicContact CE2-CD1 3.57Å
1073L80.8Confident88.2Confident29 Ų2938.7 Ų38.715%0.15219%0.188CC..Hα-helixtrans-64.7-31.1176-70.2164.4000112.9P173 I174 I177 Y1043 V1069 F1070 K1071 K1075P173-L1073 HydrophobicContact CB-CD2 4.22Å; P173-L1073 HydrophobicContact CB-CG 4.41Å; P173-L1073 HydrophobicContact CG-CD2 4.25Å; I174-L1073 HydrophobicContact CD1-CD2 4.43Å; I174-L1073 HydrophobicContact CG1-CD1 3.81Å; I174-L1073 HydrophobicContact CG1-CD2 3.77Å; I174-L1073 HydrophobicContact CG1-CG 4.48Å; I177-L1073 HydrophobicContact CD1-CD1 4.49Å; Y1043-L1073 HydrophobicContact CD1-CD1 4.21Å; Y1043-L1073 HydrophobicContact CD2-CB 3.96Å; Y1043-L1073 HydrophobicContact CE1-CB 4.36Å; Y1043-L1073 HydrophobicContact CE1-CD1 3.74Å; Y1043-L1073 HydrophobicContact CE2-CB 3.75Å; Y1043-L1073 HydrophobicContact CG-CB 4.37Å; V1069-L1073 HydrophobicContact CG1-CD1 4.04Å; V1069-L1073 HydrophobicContact CG1-CG 4.42Å; V1069-L1073 WeakPolarHBondContact O-CB 3.38Å; V1069-L1073 VanDerWaalsContact O-CG 3.31Å; V1069-L1073 WeakPolarHBondContact O-CG 3.49Å; V1069-L1073 PolarHBondContact O-N 3.48Å; F1070-L1073 HydrophobicContact CD1-CD1 4.28Å; K1071-L1073 VanDerWaalsContact C-N 3.32Å; K1071-L1073 PolarHBondContact O-N 2.91Å; L1073-K1075 PolarHBondContact O-N 3.35Å
1074L86.4Confident88.4Confident70 Ų7038.7 Ų38.737%0.36619%0.188SC..THydrogen-bonded Turntrans-79.51.6169-71.1170.8000113.8Y1043 T1044 I1047 F1070 K1071 Y1072 T1076Y1043-L1074 HydrophobicContact CD2-CD2 4.03Å; Y1043-L1074 HydrophobicContact CD2-CG 4.1Å; Y1043-L1074 HydrophobicContact CG-CG 4.45Å; T1044-L1074 HydrophobicContact CG2-CD1 4.04Å; T1044-L1074 HydrophobicContact CG2-CD2 4.33Å; I1047-L1074 HydrophobicContact CD1-CD1 3.65Å; F1070-L1074 WeakPolarHBondContact O-CB 3.41Å; F1070-L1074 VanDerWaalsContact O-CG 3.25Å; F1070-L1074 WeakPolarHBondContact O-CG 3.29Å; F1070-L1074 PolarHBondContact O-N 3.47Å; F1070-L1074 VanDerWaalsContact O-N 3.11Å; K1071-L1074 CarbonylContact O-C 3.48Å; K1071-L1074 WeakPolarHBondContact O-CA 3.4Å; K1071-L1074 PolarHBondContact O-N 3.16Å; K1071-L1074 VanDerWaalsContact O-N 3.13Å; Y1072-L1074 VanDerWaalsContact C-N 3.3Å; Y1072-L1074 PolarHBondContact O-N 2.87Å; L1074-T1076 PolarHBondContact O-N 3.16Å
1075K85.3Confident88.7Confident152 Ų15239.7 Ų39.766%0.66120%0.196SC*.THydrogen-bonded Turntrans61.723.7-177.2-51.1-178.5-178.51760114.4K1071 Y1072 L1073 Y1077K1071-K1075 PolarHBondContact O-N 3.37Å; Y1072-K1075 WeakPolarHBondContact O-CA 3.43Å; Y1072-K1075 PolarHBondContact O-N 3.12Å; L1073-K1075 PolarHBondContact O-N 3.35Å; K1075-Y1077 HydrophobicContact CB-CE1 4.4Å; K1075-Y1077 HydrophobicContact CB-CE2 4.12Å; K1075-Y1077 PolarHBondContact O-N 3.31Å
1076T88.9Confident89Confident53 Ų5341.9 Ų41.933%0.32521%0.207SC..  trans-97.961.8176.9480000110.7K1071 L1074 D1078 F1079 C1080K1071-T1076 WeakPolarHBondContact CA-OG1 3.39Å; K1071-T1076 WeakPolarHBondContact CB-OG1 3.28Å; K1071-T1076 PolarHBondContact O-N 3.09Å; K1071-T1076 PolarHBondContact O-OG1 3.05Å; L1074-T1076 PolarHBondContact O-N 3.16Å; T1076-D1078 VanDerWaalsContact C-N 3.31Å; T1076-D1078 PolarHBondContact O-N 3.01Å; T1076-F1079 PolarHBondContact O-N 2.95Å; T1076-C1080 PolarHBondContact O-N 3.34Å
1077Y89.1Confident89.2Confident52 Ų5241.8 Ų41.820%0.20421%0.207CC..Hα-helixtrans-59.2-34.2-168.7-47.7-64.6000113.9Y1072 K1075 F1079 C1080 E1081 I1107 Y1108Y1072-Y1077 AromaticContact CD2-CD1 3.76Å; Y1072-Y1077 HydrophobicContact CD2-CD1 3.76Å; Y1072-Y1077 AromaticContact CD2-CE1 3.94Å; Y1072-Y1077 HydrophobicContact CD2-CE1 3.94Å; Y1072-Y1077 HydrophobicContact CE2-CD1 4.19Å; Y1072-Y1077 HydrophobicContact CE2-CE1 4.1Å; Y1072-Y1077 HydrophobicContact CG-CD1 4.29Å; Y1072-Y1077 HydrophobicContact CG-CE1 4.25Å; K1075-Y1077 HydrophobicContact CB-CE1 4.4Å; K1075-Y1077 HydrophobicContact CB-CE2 4.12Å; K1075-Y1077 PolarHBondContact O-N 3.31Å; Y1077-F1079 VanDerWaalsContact C-N 3.28Å; Y1077-F1079 PolarHBondContact O-N 3.11Å; Y1077-C1080 CarbonylContact O-C 3.57Å; Y1077-C1080 WeakPolarHBondContact O-CA 3.47Å; Y1077-C1080 VanDerWaalsContact O-CB 3.24Å; Y1077-C1080 WeakPolarHBondContact O-CB 3.39Å; Y1077-C1080 PolarHBondContact O-N 2.73Å; Y1077-E1081 PolarHBondContact O-N 3.19Å; Y1077-I1107 HydrophobicContact CD1-CD1 4.06Å; Y1077-I1107 HydrophobicContact CD2-CG2 3.94Å; Y1077-I1107 HydrophobicContact CE1-CD1 3.51Å; Y1077-I1107 HydrophobicContact CE2-CD1 4.41Å; Y1077-I1107 HydrophobicContact CE2-CG2 3.77Å; Y1077-I1107 HydrophobicContact CG-CG2 4.41Å; Y1077-Y1108 WeakPolarHBondContact CB-OH 3.43Å
1078D90Very high89.2Confident104 Ų10441 Ų4156%0.55621%0.205SC*.Hα-helixtrans-65.3-38.8-177.7-35.3-73000110.8T1076 C1080 A1082 Y1108T1076-D1078 VanDerWaalsContact C-N 3.31Å; T1076-D1078 PolarHBondContact O-N 3.01Å; D1078-C1080 VanDerWaalsContact C-N 3.3Å; D1078-A1082 PolarHBondContact O-N 3.48Å; D1078-Y1108 WeakPolarHBondContact CA-OH 3.36Å; D1078-Y1108 VanDerWaalsContact CG-OH 3.27Å; D1078-Y1108 PolarHBondContact N-OH 3.14Å; D1078-Y1108 PolarHBondContact OD1-OH 3.41Å
1079F91.4Very high89.3Confident130 Ų13047.9 Ų47.957%0.5724%0.237SC*.Hα-helixtrans-75.8-19.7175.1-63-79.4000112.4K1071 T1076 Y1077 D1083K1071-F1079 HydrophobicContact CD-CB 3.73Å; K1071-F1079 WeakPolarHBondContact CD-O 3.3Å; K1071-F1079 HydrophobicContact CG-CB 4.46Å; K1071-F1079 PolarHBondContact NZ-O 3.45Å; T1076-F1079 PolarHBondContact O-N 2.95Å; Y1077-F1079 VanDerWaalsContact C-N 3.28Å; Y1077-F1079 PolarHBondContact O-N 3.11Å; F1079-D1083 PolarHBondContact O-N 3.39Å
1080C91.6Very high89.4Confident0 Ų051.8 Ų51.80%025%0.254CS..Hα-helixtrans-75.8-52.2173.1179.20000110.5G1068 K1071 T1076 Y1077 D1078 A1082 D1083 L1084G1068-C1080 VanDerWaalsContact C-SG 3.5Å; G1068-C1080 PolarHBondContact O-SG 3.4Å; K1071-C1080 HydrophobicContact CB-CB 4.08Å; T1076-C1080 PolarHBondContact O-N 3.34Å; Y1077-C1080 CarbonylContact O-C 3.57Å; Y1077-C1080 WeakPolarHBondContact O-CA 3.47Å; Y1077-C1080 VanDerWaalsContact O-CB 3.24Å; Y1077-C1080 WeakPolarHBondContact O-CB 3.39Å; Y1077-C1080 PolarHBondContact O-N 2.73Å; D1078-C1080 VanDerWaalsContact C-N 3.3Å; C1080-A1082 PolarHBondContact O-N 3.36Å; C1080-D1083 PolarHBondContact O-N 2.91Å; C1080-L1084 WeakPolarHBondContact O-CG 3.5Å; C1080-L1084 PolarHBondContact O-N 3.4Å; C1080-L1084 VanDerWaalsContact SG-CD1 3.5Å
1081E92.2Very high89.1Confident35 Ų3554.8 Ų54.816%0.16427%0.27CS..Hα-helixtrans-53.5-41.7175.9-174.7170.6-178.300110.8Y1077 D1083 L1084 N1085 R1101 H1105 Y1108 K1110Y1077-E1081 PolarHBondContact O-N 3.19Å; E1081-D1083 PolarHBondContact O-N 2.91Å; E1081-L1084 PolarHBondContact O-N 3.25Å; E1081-N1085 WeakPolarHBondContact O-CB 3.45Å; E1081-N1085 PolarHBondContact O-N 3.46Å; E1081-N1085 PolarHBondContact O-ND2 3.42Å; E1081-R1101 HydrophobicContact CG-CG 4.38Å; E1081-H1105 IonicContact OE1-CD2 3.97Å; E1081-H1105 IonicContact OE1-CE1 2.63Å; E1081-H1105 IonicContact OE1-NE2 3.14Å; E1081-H1105 PolarHBondContact OE1-NE2 2.98Å; E1081-H1105 IonicContact OE2-CD2 3.41Å; E1081-H1105 IonicContact OE2-NE2 3.13Å; E1081-Y1108 WeakPolarHBondContact OE2-CE2 3.2Å; E1081-K1110 IonicContact OE1-NZ 3.66Å; E1081-K1110 PolarHBondContact OE1-NZ 2.93Å; E1081-K1110 VanDerWaalsContact OE1-NZ 3.08Å; E1081-K1110 IonicContact OE2-NZ 3.16Å; E1081-K1110 PolarHBondContact OE2-NZ 3.48Å
1082A93Very high88.9Confident47 Ų4759.9 Ų59.939%0.38829%0.294SS..Hα-helixtrans-62.1-37.6174.500000114.7D1078 C1080 I1086D1078-A1082 PolarHBondContact O-N 3.48Å; C1080-A1082 PolarHBondContact O-N 3.36Å; A1082-I1086 WeakPolarHBondContact O-CD1 3.04Å; A1082-I1086 WeakPolarHBondContact O-CG1 3.11Å
1083D91.7Very high88.7Confident5 Ų567 Ų673%0.02732%0.321CS..Hα-helixtrans-75.3-38.1177.4-80.54.3000112.1R1067 G1068 K1071 F1079 C1080 E1081 I1086 A1087R1067-D1083 WeakPolarHBondContact CB-OD2 3.34Å; R1067-D1083 VanDerWaalsContact CG-OD2 3.31Å; R1067-D1083 WeakPolarHBondContact CG-OD2 3.37Å; R1067-D1083 IonicContact CZ-OD1 3.19Å; R1067-D1083 IonicContact CZ-OD2 2.86Å; R1067-D1083 IonicContact NE-OD1 3.63Å; R1067-D1083 PolarHBondContact NE-OD1 3.27Å; R1067-D1083 IonicContact NE-OD2 3.19Å; R1067-D1083 PolarHBondContact NE-OD2 3.03Å; R1067-D1083 IonicContact NH2-OD1 3.78Å; R1067-D1083 PolarHBondContact NH2-OD1 3.43Å; R1067-D1083 IonicContact NH2-OD2 2.69Å; G1068-D1083 PolarHBondContact N-OD2 3.22Å; K1071-D1083 WeakPolarHBondContact CD-OD2 3.46Å; K1071-D1083 VanDerWaalsContact CE-OD2 3.27Å; K1071-D1083 WeakPolarHBondContact CE-OD2 3.43Å; K1071-D1083 IonicContact NZ-OD1 2.69Å; K1071-D1083 PolarHBondContact NZ-OD1 2.87Å; K1071-D1083 IonicContact NZ-OD2 3.89Å; K1071-D1083 PolarHBondContact NZ-OD2 3.48Å; F1079-D1083 PolarHBondContact O-N 3.39Å; C1080-D1083 PolarHBondContact O-N 2.91Å; E1081-D1083 PolarHBondContact O-N 2.91Å; D1083-I1086 PolarHBondContact O-N 2.96Å; D1083-A1087 PolarHBondContact O-N 3.47Å
1084L91.3Very high88.8Confident0 Ų066.2 Ų66.20%032%0.318CS..Hα-helixtrans-71.3-35-179.9-64.4174.8000111.8I1065 C1080 E1081 I1086 A1087 I1088 H1100 R1101I1065-L1084 HydrophobicContact CG2-CD2 4.13Å; C1080-L1084 WeakPolarHBondContact O-CG 3.5Å; C1080-L1084 PolarHBondContact O-N 3.4Å; C1080-L1084 VanDerWaalsContact SG-CD1 3.5Å; E1081-L1084 PolarHBondContact O-N 3.25Å; L1084-I1086 VanDerWaalsContact C-N 3.33Å; L1084-I1086 PolarHBondContact O-N 3.44Å; L1084-A1087 WeakPolarHBondContact O-CB 3.41Å; L1084-A1087 PolarHBondContact O-N 3.37Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.17Å; L1084-I1088 PolarHBondContact O-N 3.24Å; L1084-H1100 VanDerWaalsContact CD1-C 3.47Å; L1084-H1100 HydrophobicContact CD1-CB 3.59Å; L1084-H1100 HydrophobicContact CD2-CB 4.14Å; L1084-R1101 HydrophobicContact CB-CB 4.31Å; L1084-R1101 HydrophobicContact CD1-CB 4.02Å
1085N93.6Very high88.6Confident50 Ų5063.3 Ų63.327%0.26730%0.303SS..Hα-helixtrans-59.7-44.1170.7-73.2-21.1000111.3E1081 A1087 I1088 E1089 R1101E1081-N1085 WeakPolarHBondContact O-CB 3.45Å; E1081-N1085 PolarHBondContact O-N 3.46Å; E1081-N1085 PolarHBondContact O-ND2 3.42Å; N1085-A1087 VanDerWaalsContact C-N 3.32Å; N1085-A1087 PolarHBondContact O-N 3.28Å; N1085-I1088 PolarHBondContact O-N 2.96Å; N1085-E1089 WeakPolarHBondContact O-CG 3.15Å; N1085-E1089 PolarHBondContact O-N 3.49Å; N1085-R1101 WeakPolarHBondContact OD1-CD 3.45Å; N1085-R1101 PolarHBondContact OD1-NH1 3.37Å
1086I92.4Very high88.3Confident50 Ų5056.6 Ų56.626%0.25628%0.275SS..Hα-helixtrans-66-35.6175.5-62165.6000111.2W1064 A1082 D1083 L1084 E1089 K1090W1064-I1086 HydrophobicContact CD2-CB 4.3Å; W1064-I1086 HydrophobicContact CD2-CG2 3.65Å; W1064-I1086 HydrophobicContact CE3-CB 3.89Å; W1064-I1086 HydrophobicContact CE3-CD1 4.08Å; W1064-I1086 HydrophobicContact CE3-CG2 3.61Å; W1064-I1086 HydrophobicContact CG-CG2 4.33Å; W1064-I1086 HydrophobicContact CH2-CD1 4.09Å; W1064-I1086 HydrophobicContact CH2-CG2 3.81Å; W1064-I1086 HydrophobicContact CZ2-CG2 3.84Å; W1064-I1086 HydrophobicContact CZ3-CB 4.08Å; W1064-I1086 HydrophobicContact CZ3-CD1 3.48Å; W1064-I1086 VanDerWaalsContact CZ3-CD1 3.48Å; W1064-I1086 HydrophobicContact CZ3-CG1 4.36Å; W1064-I1086 HydrophobicContact CZ3-CG2 3.68Å; A1082-I1086 WeakPolarHBondContact O-CD1 3.04Å; A1082-I1086 WeakPolarHBondContact O-CG1 3.11Å; D1083-I1086 PolarHBondContact O-N 2.96Å; L1084-I1086 VanDerWaalsContact C-N 3.33Å; L1084-I1086 PolarHBondContact O-N 3.44Å; I1086-E1089 PolarHBondContact O-N 3.45Å; I1086-K1090 WeakPolarHBondContact O-CG 3.46Å; I1086-K1090 PolarHBondContact O-N 3.07Å; I1086-K1090 VanDerWaalsContact O-N 3.12Å
1087A88.3Confident88.2Confident0 Ų054 Ų540%026%0.259CS..Hα-helixtrans-61.9-43.4172.300000112.2T1061 W1064 I1065 D1083 L1084 N1085 K1090 D1091 A1097T1061-A1087 HydrophobicContact CG2-CB 4.07Å; T1061-A1087 WeakPolarHBondContact CG2-O 3.28Å; W1064-A1087 HydrophobicContact CB-CB 3.97Å; I1065-A1087 HydrophobicContact CG1-CB 3.65Å; D1083-A1087 PolarHBondContact O-N 3.47Å; L1084-A1087 WeakPolarHBondContact O-CB 3.41Å; L1084-A1087 PolarHBondContact O-N 3.37Å; N1085-A1087 VanDerWaalsContact C-N 3.32Å; N1085-A1087 PolarHBondContact O-N 3.28Å; A1087-K1090 PolarHBondContact O-N 3.45Å; A1087-K1090 VanDerWaalsContact O-N 3.16Å; A1087-D1091 PolarHBondContact O-N 3.07Å; A1087-A1097 HydrophobicContact CB-CB 4.03Å
1088I89.6Confident88.2Confident16 Ų1652.5 Ų52.58%0.08225%0.253CS..Hα-helixtrans-68.9-33.4178-66.5162.9000111.6L1084 N1085 K1090 D1091 Q1092 A1097 Y1098L1084-I1088 WeakPolarHBondContact O-CG1 3.17Å; L1084-I1088 PolarHBondContact O-N 3.24Å; N1085-I1088 PolarHBondContact O-N 2.96Å; I1088-K1090 VanDerWaalsContact C-N 3.28Å; I1088-K1090 PolarHBondContact O-N 2.98Å; I1088-D1091 CarbonylContact O-C 3.24Å; I1088-Q1092 WeakPolarHBondContact O-CG 3.16Å; I1088-Q1092 PolarHBondContact O-N 3.43Å; I1088-A1097 HydrophobicContact CD1-CB 4.38Å; I1088-A1097 HydrophobicContact CG1-CB 3.76Å; I1088-Y1098 HydrophobicContact CD1-CD1 3.89Å; I1088-Y1098 HydrophobicContact CD1-CE1 4.02Å; I1088-Y1098 HydrophobicContact CD1-CG 4.2Å; I1088-Y1098 HydrophobicContact CG1-CD2 4.45Å; I1088-Y1098 HydrophobicContact CG1-CE1 4.47Å; I1088-Y1098 HydrophobicContact CG1-CE2 4.36Å; I1088-Y1098 HydrophobicContact CG2-CE1 4.15Å; I1088-Y1098 HydrophobicContact CG2-CE2 4.23Å
1089E91Very high88.1Confident145 Ų14548 Ų4868%0.67823%0.228SC*.Hα-helixtrans-64-31.4170.7-75.3174.2-167.800112.8N1085 I1086N1085-E1089 WeakPolarHBondContact O-CG 3.15Å; N1085-E1089 PolarHBondContact O-N 3.49Å; I1086-E1089 PolarHBondContact O-N 3.45Å
1090K86.4Confident87.8Confident84 Ų8441.8 Ų41.837%0.36520%0.201SC..Hα-helixtrans-84.2-38.9176.6-67.5-53.7-168.9178.40113.5E1059 T1061 I1086 A1087 I1088E1059-K1090 IonicContact OE1-NZ 2.72Å; E1059-K1090 PolarHBondContact OE1-NZ 3.38Å; E1059-K1090 WeakPolarHBondContact OE2-CE 3.48Å; E1059-K1090 IonicContact OE2-NZ 3.38Å; E1059-K1090 PolarHBondContact OE2-NZ 2.9Å; T1061-K1090 HydrophobicContact CG2-CB 4.49Å; T1061-K1090 WeakPolarHBondContact OG1-CB 3.36Å; I1086-K1090 WeakPolarHBondContact O-CG 3.46Å; I1086-K1090 PolarHBondContact O-N 3.07Å; I1086-K1090 VanDerWaalsContact O-N 3.12Å; A1087-K1090 PolarHBondContact O-N 3.45Å; A1087-K1090 VanDerWaalsContact O-N 3.16Å; I1088-K1090 VanDerWaalsContact C-N 3.28Å; I1088-K1090 PolarHBondContact O-N 2.98Å
1091D81.8Confident87.7Confident62 Ų6244 Ų4433%0.33221%0.209SC..  trans-138.398.6176.2178.316.2000111.1T1061 A1087 I1088 R1093 S1094T1061-D1091 HydrophobicContact CG2-CB 3.73Å; A1087-D1091 PolarHBondContact O-N 3.07Å; I1088-D1091 CarbonylContact O-C 3.24Å; D1091-R1093 PolarHBondContact O-N 2.82Å; D1091-R1093 WeakPolarHBondContact OD1-CA 3.02Å; D1091-R1093 PolarHBondContact OD1-N 3.35Å; D1091-S1094 WeakPolarHBondContact O-CB 3.35Å; D1091-S1094 PolarHBondContact O-N 2.72Å; D1091-S1094 VanDerWaalsContact O-N 3.11Å; D1091-S1094 WeakPolarHBondContact OD2-CB 3.4Å; D1091-S1094 PolarHBondContact OD2-N 2.78Å
1092Q85.4Confident87.6Confident136 Ų13642.3 Ų42.364%0.63620%0.201SC*.THydrogen-bonded Turntrans-67.2-1.8177.3-63177.5-7.300113.7I1088 Y1124I1088-Q1092 WeakPolarHBondContact O-CG 3.16Å; I1088-Q1092 PolarHBondContact O-N 3.43Å; Q1092-Y1124 WeakPolarHBondContact O-CE2 3.45Å
1093R83.6Confident87.3Confident186 Ų18640.9 Ų40.970%0.70219%0.187SC*.THydrogen-bonded Turntrans-113.38.9175.2-62.7-176.5175.5-170.8-3.1113D1091 S1095 Y1124D1091-R1093 PolarHBondContact O-N 2.82Å; D1091-R1093 WeakPolarHBondContact OD1-CA 3.02Å; D1091-R1093 PolarHBondContact OD1-N 3.35Å; R1093-S1095 PolarHBondContact O-N 3.32Å; R1093-Y1124 HydrophobicContact CB-CD1 4.23Å; R1093-Y1124 HydrophobicContact CB-CG 4.27Å; R1093-Y1124 HydrophobicContact CG-CD1 4.05Å; R1093-Y1124 HydrophobicContact CG-CE1 4.09Å; R1093-Y1124 VanDerWaalsContact O-CB 3.27Å; R1093-Y1124 WeakPolarHBondContact O-CB 3.3Å
1094S81.1Confident87.1Confident14 Ų1440.7 Ų40.710%0.09819%0.186CC..  trans-73.989.7-179.9-165.70000111.9I1065 D1091 L1096 A1097 Y1098I1065-S1094 WeakPolarHBondContact CD1-OG 3.47Å; D1091-S1094 WeakPolarHBondContact O-CB 3.35Å; D1091-S1094 PolarHBondContact O-N 2.72Å; D1091-S1094 VanDerWaalsContact O-N 3.11Å; D1091-S1094 WeakPolarHBondContact OD2-CB 3.4Å; D1091-S1094 PolarHBondContact OD2-N 2.78Å; S1094-L1096 PolarHBondContact O-N 3.34Å; S1094-A1097 WeakPolarHBondContact O-CB 3.31Å; S1094-A1097 PolarHBondContact O-N 3Å; S1094-Y1098 WeakPolarHBondContact O-CD2 3.36Å; S1094-Y1098 PolarHBondContact O-N 3.02Å
1095S83.2Confident87.1Confident9 Ų941.1 Ų41.16%0.06319%0.188CC..Hα-helixtrans-53.4-38177.955.60000113.1R1093 Y1099 A1121R1093-S1095 PolarHBondContact O-N 3.32Å; S1095-Y1099 WeakPolarHBondContact O-CB 3.49Å; S1095-Y1099 PolarHBondContact O-N 2.88Å; S1095-A1121 WeakPolarHBondContact CB-O 3.29Å
1096L79.8Confident86.7Confident10 Ų1040.8 Ų40.85%0.05219%0.185CC..Hα-helixtrans-62.3-41175.4-170.268.5000112.3S180 I1065 S1094 Y1099 H1100 I1131S180-L1096 WeakPolarHBondContact OG-CD2 3.32Å; I1065-L1096 HydrophobicContact CD1-CD2 4.34Å; I1065-L1096 HydrophobicContact CG2-CD2 3.78Å; I1065-L1096 HydrophobicContact CG2-CG 3.9Å; S1094-L1096 PolarHBondContact O-N 3.34Å; L1096-Y1099 PolarHBondContact O-N 3.32Å; L1096-H1100 VanDerWaalsContact CD1-NE2 3.33Å; L1096-H1100 WeakPolarHBondContact CD1-NE2 3.29Å; L1096-H1100 PolarHBondContact O-CD2 3.17Å; L1096-H1100 PolarHBondContact O-N 3.01Å; L1096-H1100 VanDerWaalsContact O-N 3.15Å; L1096-I1131 HydrophobicContact CB-CD1 3.93Å; L1096-I1131 HydrophobicContact CD1-CD1 3.8Å; L1096-I1131 HydrophobicContact CD1-CG1 4.22Å; L1096-I1131 HydrophobicContact CG-CD1 4.46Å
1097A86.2Confident86.3Confident0 Ų041.5 Ų41.50%019%0.189CC..Hα-helixtrans-68-44.318000000112I1065 A1087 I1088 S1094 R1101I1065-A1097 HydrophobicContact CD1-CB 4.12Å; I1065-A1097 HydrophobicContact CG1-CB 4.07Å; A1087-A1097 HydrophobicContact CB-CB 4.03Å; I1088-A1097 HydrophobicContact CD1-CB 4.38Å; I1088-A1097 HydrophobicContact CG1-CB 3.76Å; S1094-A1097 WeakPolarHBondContact O-CB 3.31Å; S1094-A1097 PolarHBondContact O-N 3Å; A1097-R1101 WeakPolarHBondContact O-CB 3.38Å; A1097-R1101 PolarHBondContact O-N 2.87Å; A1097-R1101 VanDerWaalsContact O-N 3.17Å
1098Y89.5Confident86.2Confident20 Ų2045 Ų458%0.07820%0.202CC..Hα-helixtrans-60.9-46.8173.3-77.7-74.4000111.9I1088 S1094 H1100 R1101 G1102 D1117 Y1120 Y1124I1088-Y1098 HydrophobicContact CD1-CD1 3.89Å; I1088-Y1098 HydrophobicContact CD1-CE1 4.02Å; I1088-Y1098 HydrophobicContact CD1-CG 4.2Å; I1088-Y1098 HydrophobicContact CG1-CD2 4.45Å; I1088-Y1098 HydrophobicContact CG1-CE1 4.47Å; I1088-Y1098 HydrophobicContact CG1-CE2 4.36Å; I1088-Y1098 HydrophobicContact CG2-CE1 4.15Å; I1088-Y1098 HydrophobicContact CG2-CE2 4.23Å; S1094-Y1098 WeakPolarHBondContact O-CD2 3.36Å; S1094-Y1098 PolarHBondContact O-N 3.02Å; Y1098-H1100 PolarHBondContact O-N 3.17Å; Y1098-R1101 PolarHBondContact O-N 3.35Å; Y1098-R1101 VanDerWaalsContact O-N 3.09Å; Y1098-G1102 PolarHBondContact O-N 3.36Å; Y1098-D1117 WeakPolarHBondContact CD1-OD1 3.2Å; Y1098-Y1120 AromaticContact CD1-CD2 3.8Å; Y1098-Y1120 HydrophobicContact CD1-CD2 3.8Å; Y1098-Y1120 AromaticContact CD1-CG 3.95Å; Y1098-Y1120 HydrophobicContact CD1-CG 3.95Å; Y1098-Y1120 AromaticContact CE1-CD2 3.53Å; Y1098-Y1120 HydrophobicContact CE1-CD2 3.53Å; Y1098-Y1120 HydrophobicContact CE1-CE2 4.32Å; Y1098-Y1120 AromaticContact CE1-CG 3.68Å; Y1098-Y1120 HydrophobicContact CE1-CG 3.68Å; Y1098-Y1120 HydrophobicContact CG-CG 4.46Å; Y1098-Y1120 AromaticContact CZ-CG 3.99Å; Y1098-Y1124 HydrophobicContact CD2-CD2 4.08Å; Y1098-Y1124 HydrophobicContact CD2-CE2 4.37Å; Y1098-Y1124 AromaticContact CE2-CD2 3.85Å; Y1098-Y1124 HydrophobicContact CE2-CD2 3.85Å; Y1098-Y1124 AromaticContact CE2-CE2 3.72Å; Y1098-Y1124 HydrophobicContact CE2-CE2 3.72Å
1099Y86.8Confident86Confident8 Ų849 Ų493%0.03122%0.224CC..Hα-helixtrans-58.1-46.8-179.7169.9-101000113E176 S1095 L1096 R1101 G1102 L1103 Y1118 I1131 Y1134E176-Y1099 WeakPolarHBondContact OE1-CE1 3.33Å; E176-Y1099 PolarHBondContact OE1-OH 3.11Å; E176-Y1099 WeakPolarHBondContact OE2-CE1 3.03Å; S1095-Y1099 WeakPolarHBondContact O-CB 3.49Å; S1095-Y1099 PolarHBondContact O-N 2.88Å; L1096-Y1099 PolarHBondContact O-N 3.32Å; Y1099-R1101 VanDerWaalsContact C-N 3.28Å; Y1099-R1101 PolarHBondContact O-N 3.31Å; Y1099-G1102 PolarHBondContact O-N 2.8Å; Y1099-L1103 HydrophobicContact CD1-CD1 4.19Å; Y1099-L1103 HydrophobicContact CE1-CD1 3.6Å; Y1099-L1103 PolarHBondContact O-N 3.04Å; Y1099-Y1118 HydrophobicContact CD2-CD1 4.06Å; Y1099-Y1118 AromaticContact CD2-CE1 3.76Å; Y1099-Y1118 HydrophobicContact CD2-CE1 3.76Å; Y1099-Y1118 HydrophobicContact CE2-CE1 4.09Å; Y1099-I1131 HydrophobicContact CG-CG2 4.17Å; Y1099-Y1134 WeakPolarHBondContact OH-CB 3.23Å
1100H85.1Confident85.9Confident1 Ų145.2 Ų45.21%0.00521%0.206CC..Hα-helixtrans-69.7-24.7177.1-65.3-58000113.2E176 V1069 L1084 L1096 Y1098 C1104E176-H1100 IonicContact OE2-CE1 2.69Å; E176-H1100 PolarHBondContact OE2-CE1 2.91Å; E176-H1100 VanDerWaalsContact OE2-CE1 3.28Å; E176-H1100 IonicContact OE2-ND1 3.27Å; V1069-H1100 WeakPolarHBondContact CG2-CD2 3.44Å; V1069-H1100 VanDerWaalsContact CG2-NE2 3.29Å; V1069-H1100 WeakPolarHBondContact CG2-NE2 2.98Å; L1084-H1100 VanDerWaalsContact CD1-C 3.47Å; L1084-H1100 HydrophobicContact CD1-CB 3.59Å; L1084-H1100 HydrophobicContact CD2-CB 4.14Å; L1096-H1100 VanDerWaalsContact CD1-NE2 3.33Å; L1096-H1100 WeakPolarHBondContact CD1-NE2 3.29Å; L1096-H1100 PolarHBondContact O-CD2 3.17Å; L1096-H1100 PolarHBondContact O-N 3.01Å; L1096-H1100 VanDerWaalsContact O-N 3.15Å; Y1098-H1100 PolarHBondContact O-N 3.17Å; H1100-C1104 PolarHBondContact O-N 2.83Å; H1100-C1104 VanDerWaalsContact O-N 3.16Å
1101R90.5Very high86Confident45 Ų4543.4 Ų43.417%0.1720%0.196CC..Hα-helixtrans-76.4-38.7175.3-167.6179.371.6175.52.4111E1081 L1084 N1085 A1097 Y1098 Y1099 L1103 C1104 H1105 D1117E1081-R1101 HydrophobicContact CG-CG 4.38Å; L1084-R1101 HydrophobicContact CB-CB 4.31Å; L1084-R1101 HydrophobicContact CD1-CB 4.02Å; N1085-R1101 WeakPolarHBondContact OD1-CD 3.45Å; N1085-R1101 PolarHBondContact OD1-NH1 3.37Å; A1097-R1101 WeakPolarHBondContact O-CB 3.38Å; A1097-R1101 PolarHBondContact O-N 2.87Å; A1097-R1101 VanDerWaalsContact O-N 3.17Å; Y1098-R1101 PolarHBondContact O-N 3.35Å; Y1098-R1101 VanDerWaalsContact O-N 3.09Å; Y1099-R1101 VanDerWaalsContact C-N 3.28Å; Y1099-R1101 PolarHBondContact O-N 3.31Å; R1101-L1103 VanDerWaalsContact C-N 3.3Å; R1101-L1103 PolarHBondContact O-N 2.97Å; R1101-C1104 WeakPolarHBondContact O-CA 3.45Å; R1101-C1104 WeakPolarHBondContact O-CB 3.5Å; R1101-C1104 PolarHBondContact O-N 2.88Å; R1101-H1105 PolarHBondContact O-N 3.31Å; R1101-D1117 VanDerWaalsContact C-OD2 3.26Å; R1101-D1117 WeakPolarHBondContact CB-OD2 3.44Å; R1101-D1117 WeakPolarHBondContact CG-OD2 3.46Å; R1101-D1117 IonicContact CZ-OD1 3.28Å; R1101-D1117 IonicContact CZ-OD2 3.81Å; R1101-D1117 IonicContact NE-OD1 2.65Å; R1101-D1117 PolarHBondContact NE-OD1 2.97Å; R1101-D1117 IonicContact NE-OD2 2.78Å; R1101-D1117 PolarHBondContact NE-OD2 2.84Å; R1101-D1117 IonicContact NH2-OD1 2.68Å; R1101-D1117 PolarHBondContact NH2-OD1 3.45Å; R1101-D1117 IonicContact NH2-OD2 2.72Å
1102G89.2Confident86.4Confident0 Ų045.2 Ų45.20%021%0.206CC..Hα-helixtrans-57.9-39.1168.100000112.9Y1098 Y1099 H1105 Q1106 D1117Y1098-G1102 PolarHBondContact O-N 3.36Å; Y1099-G1102 PolarHBondContact O-N 2.8Å; G1102-H1105 PolarHBondContact O-N 3.14Å; G1102-Q1106 VanDerWaalsContact O-CB 3.28Å; G1102-Q1106 WeakPolarHBondContact O-CB 3.45Å; G1102-Q1106 PolarHBondContact O-N 3.4Å; G1102-D1117 PolarHBondContact N-OD2 2.9Å; G1102-D1117 VanDerWaalsContact N-OD2 3.16Å
1103L86.5Confident86.7Confident18 Ų1842.3 Ų42.39%0.09419%0.192CC..Hα-helixtrans-62.9-41.5171.6-77.2170.6000112.8Y1072 Y1099 R1101 I1107 Y1118Y1072-L1103 HydrophobicContact CE2-CB 3.75Å; Y1099-L1103 HydrophobicContact CD1-CD1 4.19Å; Y1099-L1103 HydrophobicContact CE1-CD1 3.6Å; Y1099-L1103 PolarHBondContact O-N 3.04Å; R1101-L1103 VanDerWaalsContact C-N 3.3Å; R1101-L1103 PolarHBondContact O-N 2.97Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.37Å; L1103-I1107 PolarHBondContact O-N 3.28Å; L1103-Y1118 WeakPolarHBondContact CD2-OH 3.45Å; L1103-Y1118 PolarHBondContact N-OH 2.73Å
1104C87.9Confident87.1Confident0 Ų033.4 Ų33.40%016%0.159CC..Hα-helixtrans-61.2-49172.4-74.90000111.5H1100 R1101 Q1106 I1107 Y1108H1100-C1104 PolarHBondContact O-N 2.83Å; H1100-C1104 VanDerWaalsContact O-N 3.16Å; R1101-C1104 WeakPolarHBondContact O-CA 3.45Å; R1101-C1104 WeakPolarHBondContact O-CB 3.5Å; R1101-C1104 PolarHBondContact O-N 2.88Å; C1104-Q1106 VanDerWaalsContact C-N 3.34Å; C1104-Q1106 PolarHBondContact O-N 3Å; C1104-I1107 WeakPolarHBondContact O-CB 3.25Å; C1104-I1107 PolarHBondContact O-N 3.42Å; C1104-I1107 VanDerWaalsContact O-N 3.08Å; C1104-Y1108 HydrophobicContact CB-CE2 4.26Å; C1104-Y1108 WeakPolarHBondContact O-CD2 3.39Å; C1104-Y1108 PolarHBondContact O-N 3.2Å
1105H90.5Very high87.6Confident10 Ų1034 Ų345%0.04616%0.161CC..Hα-helixtrans-60.8-41.1179.2-69.6174.9000112.3E1081 R1101 G1102 I1107 Y1108 N1109 K1110 E1113 A1114 D1117E1081-H1105 IonicContact OE1-CD2 3.97Å; E1081-H1105 IonicContact OE1-CE1 2.63Å; E1081-H1105 IonicContact OE1-NE2 3.14Å; E1081-H1105 PolarHBondContact OE1-NE2 2.98Å; E1081-H1105 IonicContact OE2-CD2 3.41Å; E1081-H1105 IonicContact OE2-NE2 3.13Å; R1101-H1105 PolarHBondContact O-N 3.31Å; G1102-H1105 PolarHBondContact O-N 3.14Å; H1105-I1107 VanDerWaalsContact C-N 3.27Å; H1105-I1107 PolarHBondContact O-N 3.48Å; H1105-Y1108 CarbonylContact O-C 3.54Å; H1105-Y1108 PolarHBondContact O-N 3.3Å; H1105-Y1108 VanDerWaalsContact O-N 3.07Å; H1105-N1109 PolarHBondContact O-N 3.31Å; H1105-N1109 VanDerWaalsContact O-N 3.11Å; H1105-K1110 HydrophobicContact CB-CB 3.79Å; H1105-K1110 HydrophobicContact CB-CD 4.29Å; H1105-K1110 WeakPolarHBondContact O-CB 3.27Å; H1105-K1110 PolarHBondContact O-N 3.05Å; H1105-E1113 VanDerWaalsContact ND1-CB 3.32Å; H1105-E1113 WeakPolarHBondContact ND1-CB 3.46Å; H1105-A1114 HydrophobicContact CB-CB 3.83Å; H1105-D1117 IonicContact CE1-OD2 3.34Å; H1105-D1117 IonicContact ND1-OD2 2.65Å
1106Q86.2Confident88.1Confident42 Ų4239.2 Ų39.220%0.19618%0.184CC..Hα-helixtrans-60.1-34.1173.8-167.3177.3-13.400112.6G1102 C1104 N1109 W1111 A1114 Y1118 I1142G1102-Q1106 VanDerWaalsContact O-CB 3.28Å; G1102-Q1106 WeakPolarHBondContact O-CB 3.45Å; G1102-Q1106 PolarHBondContact O-N 3.4Å; C1104-Q1106 VanDerWaalsContact C-N 3.34Å; C1104-Q1106 PolarHBondContact O-N 3Å; Q1106-N1109 PolarHBondContact O-N 3.5Å; Q1106-W1111 HydrophobicContact CG-CZ3 3.84Å; Q1106-A1114 HydrophobicContact CB-CB 4.4Å; Q1106-Y1118 PolarHBondContact OE1-OH 3.45Å; Q1106-I1142 HydrophobicContact CG-CD1 4.22Å; Q1106-I1142 HydrophobicContact CG-CG1 4.43Å
1107I83.4Confident88.6Confident66 Ų6638.8 Ų38.834%0.33818%0.182SC..Hα-helixtrans-73.3-36.4173.4-70.6176.2000112Y1072 Y1077 L1103 C1104 H1105 N1109Y1072-I1107 HydrophobicContact CE2-CD1 3.57Å; Y1077-I1107 HydrophobicContact CD1-CD1 4.06Å; Y1077-I1107 HydrophobicContact CD2-CG2 3.94Å; Y1077-I1107 HydrophobicContact CE1-CD1 3.51Å; Y1077-I1107 HydrophobicContact CE2-CD1 4.41Å; Y1077-I1107 HydrophobicContact CE2-CG2 3.77Å; Y1077-I1107 HydrophobicContact CG-CG2 4.41Å; L1103-I1107 WeakPolarHBondContact O-CG1 3.37Å; L1103-I1107 PolarHBondContact O-N 3.28Å; C1104-I1107 WeakPolarHBondContact O-CB 3.25Å; C1104-I1107 PolarHBondContact O-N 3.42Å; C1104-I1107 VanDerWaalsContact O-N 3.08Å; H1105-I1107 VanDerWaalsContact C-N 3.27Å; H1105-I1107 PolarHBondContact O-N 3.48Å; I1107-N1109 PolarHBondContact O-N 3.45Å
1108Y86.7Confident88.8Confident72 Ų7238.8 Ų38.828%0.28218%0.182SC..Hα-helixtrans-71.3-9.4174.7-69.7-61.3000114.2Y1077 D1078 E1081 C1104 H1105 K1110Y1077-Y1108 WeakPolarHBondContact CB-OH 3.43Å; D1078-Y1108 WeakPolarHBondContact CA-OH 3.36Å; D1078-Y1108 VanDerWaalsContact CG-OH 3.27Å; D1078-Y1108 PolarHBondContact N-OH 3.14Å; D1078-Y1108 PolarHBondContact OD1-OH 3.41Å; E1081-Y1108 WeakPolarHBondContact OE2-CE2 3.2Å; C1104-Y1108 HydrophobicContact CB-CE2 4.26Å; C1104-Y1108 WeakPolarHBondContact O-CD2 3.39Å; C1104-Y1108 PolarHBondContact O-N 3.2Å; H1105-Y1108 CarbonylContact O-C 3.54Å; H1105-Y1108 PolarHBondContact O-N 3.3Å; H1105-Y1108 VanDerWaalsContact O-N 3.07Å; Y1108-K1110 VanDerWaalsContact C-N 3.25Å; Y1108-K1110 HydrophobicContact CD2-CD 4.41Å
1109N85.2Confident89Confident102 Ų10242.6 Ų42.655%0.54520%0.2SC..THydrogen-bonded Turntrans6725-168-42.9-95.3000113.2H1105 Q1106 I1107 W1111H1105-N1109 PolarHBondContact O-N 3.31Å; H1105-N1109 VanDerWaalsContact O-N 3.11Å; Q1106-N1109 PolarHBondContact O-N 3.5Å; I1107-N1109 PolarHBondContact O-N 3.45Å; N1109-W1111 VanDerWaalsContact CA-CZ2 3.48Å; N1109-W1111 HydrophobicContact CB-CH2 4.4Å; N1109-W1111 HydrophobicContact CB-CZ2 3.47Å; N1109-W1111 VanDerWaalsContact CB-CZ2 3.47Å; N1109-W1111 PolarHBondContact O-N 3.31Å; N1109-W1111 PolarHBondContact O-NE1 3.05Å; N1109-W1111 VanDerWaalsContact OD1-CZ2 3.27Å; N1109-W1111 WeakPolarHBondContact OD1-CZ2 3.45Å
1110K89.3Confident89.1Confident65 Ų6545.9 Ų45.928%0.28321%0.213SC..  trans-83.479.6170.2-76.4178.9171.8176.70109E1081 H1105 Y1108 E1113 A1114E1081-K1110 IonicContact OE1-NZ 3.66Å; E1081-K1110 PolarHBondContact OE1-NZ 2.93Å; E1081-K1110 VanDerWaalsContact OE1-NZ 3.08Å; E1081-K1110 IonicContact OE2-NZ 3.16Å; E1081-K1110 PolarHBondContact OE2-NZ 3.48Å; H1105-K1110 HydrophobicContact CB-CB 3.79Å; H1105-K1110 HydrophobicContact CB-CD 4.29Å; H1105-K1110 WeakPolarHBondContact O-CB 3.27Å; H1105-K1110 PolarHBondContact O-N 3.05Å; Y1108-K1110 VanDerWaalsContact C-N 3.25Å; Y1108-K1110 HydrophobicContact CD2-CD 4.41Å; K1110-E1113 WeakPolarHBondContact CA-OE2 3.44Å; K1110-E1113 HydrophobicContact CB-CB 4.42Å; K1110-E1113 VanDerWaalsContact CB-OE2 3.31Å; K1110-E1113 WeakPolarHBondContact CB-OE2 3.42Å; K1110-E1113 WeakPolarHBondContact CD-OE1 3.23Å; K1110-E1113 VanDerWaalsContact CG-OE1 3.23Å; K1110-E1113 WeakPolarHBondContact CG-OE1 3.32Å; K1110-A1114 VanDerWaalsContact O-CB 3.25Å; K1110-A1114 WeakPolarHBondContact O-CB 3.45Å; K1110-A1114 PolarHBondContact O-N 2.94Å
1111W88.1Confident89.2Confident46 Ų4645.8 Ų45.817%0.17421%0.213CC..Hα-helixtrans-75.6-39-167.6-52107.2000113.3Q1106 N1109 I1115 I1142 K1146 Y1147Q1106-W1111 HydrophobicContact CG-CZ3 3.84Å; N1109-W1111 VanDerWaalsContact CA-CZ2 3.48Å; N1109-W1111 HydrophobicContact CB-CH2 4.4Å; N1109-W1111 HydrophobicContact CB-CZ2 3.47Å; N1109-W1111 VanDerWaalsContact CB-CZ2 3.47Å; N1109-W1111 PolarHBondContact O-N 3.31Å; N1109-W1111 PolarHBondContact O-NE1 3.05Å; N1109-W1111 VanDerWaalsContact OD1-CZ2 3.27Å; N1109-W1111 WeakPolarHBondContact OD1-CZ2 3.45Å; W1111-I1115 WeakPolarHBondContact O-CD1 3.42Å; W1111-I1115 VanDerWaalsContact O-CG1 3.3Å; W1111-I1115 WeakPolarHBondContact O-CG1 3.3Å; W1111-I1115 PolarHBondContact O-N 2.65Å; W1111-I1115 VanDerWaalsContact O-N 3.09Å; W1111-I1142 HydrophobicContact CB-CG2 4.08Å; W1111-I1142 HydrophobicContact CE3-CD1 4.31Å; W1111-I1142 HydrophobicContact CE3-CG1 4.03Å; W1111-I1142 HydrophobicContact CE3-CG2 4.08Å; W1111-I1142 HydrophobicContact CZ3-CG1 4.4Å; W1111-K1146 HydrophobicContact CD2-CD 3.94Å; W1111-K1146 HydrophobicContact CD2-CG 3.68Å; W1111-K1146 VanDerWaalsContact CE2-CE 3.47Å; W1111-K1146 HydrophobicContact CE3-CD 4.41Å; W1111-K1146 HydrophobicContact CE3-CG 3.93Å; W1111-K1146 HydrophobicContact CG-CD 4.4Å; W1111-K1146 HydrophobicContact CG-CG 4.02Å; W1111-K1146 HydrophobicContact CH2-CD 4.4Å; W1111-K1146 VanDerWaalsContact CH2-CE 3.41Å; W1111-K1146 HydrophobicContact CZ2-CD 3.9Å; W1111-K1146 HydrophobicContact CZ2-CG 4.45Å; W1111-K1146 HydrophobicContact CZ3-CG 4.41Å; W1111-Y1147 HydrophobicContact CB-CE2 4.18Å; W1111-Y1147 WeakPolarHBondContact CB-OH 3.21Å
1112D91.3Very high89Confident99 Ų9944.8 Ų44.853%0.52921%0.21SC..Hα-helixtrans-70.3-44.4-179.3-58.9-70.1000110.4A1114 I1115 E1116 Y1147D1112-A1114 PolarHBondContact O-N 3.15Å; D1112-I1115 WeakPolarHBondContact O-CB 3.43Å; D1112-I1115 PolarHBondContact O-N 3.28Å; D1112-I1115 VanDerWaalsContact O-N 3.13Å; D1112-E1116 PolarHBondContact O-N 3.21Å; D1112-E1116 VanDerWaalsContact O-N 3.1Å; D1112-Y1147 PolarHBondContact OD1-OH 3.3Å; D1112-Y1147 PolarHBondContact OD2-OH 3.23Å
1113E91.9Very high88.9Confident75 Ų7550.1 Ų50.135%0.3524%0.235SC..Hα-helixtrans-64.9-37.8176.3-50.8101.3116.800112.1H1105 K1110 I1115 E1116 D1117H1105-E1113 VanDerWaalsContact ND1-CB 3.32Å; H1105-E1113 WeakPolarHBondContact ND1-CB 3.46Å; K1110-E1113 WeakPolarHBondContact CA-OE2 3.44Å; K1110-E1113 HydrophobicContact CB-CB 4.42Å; K1110-E1113 VanDerWaalsContact CB-OE2 3.31Å; K1110-E1113 WeakPolarHBondContact CB-OE2 3.42Å; K1110-E1113 WeakPolarHBondContact CD-OE1 3.23Å; K1110-E1113 VanDerWaalsContact CG-OE1 3.23Å; K1110-E1113 WeakPolarHBondContact CG-OE1 3.32Å; E1113-I1115 VanDerWaalsContact C-N 3.31Å; E1113-I1115 PolarHBondContact O-N 2.92Å; E1113-E1116 PolarHBondContact O-N 3.36Å; E1113-D1117 PolarHBondContact O-N 3.34Å
1114A91.1Very high88.7Confident0 Ų052.8 Ų52.80%025%0.245CC..Hα-helixtrans-64-33.9173.400000112.8H1105 Q1106 K1110 D1112 Y1118 I1142H1105-A1114 HydrophobicContact CB-CB 3.83Å; Q1106-A1114 HydrophobicContact CB-CB 4.4Å; K1110-A1114 VanDerWaalsContact O-CB 3.25Å; K1110-A1114 WeakPolarHBondContact O-CB 3.45Å; K1110-A1114 PolarHBondContact O-N 2.94Å; D1112-A1114 PolarHBondContact O-N 3.15Å; A1114-Y1118 HydrophobicContact CB-CE2 4.43Å; A1114-Y1118 WeakPolarHBondContact O-CB 3.43Å; A1114-Y1118 WeakPolarHBondContact O-CD2 3.2Å; A1114-Y1118 PolarHBondContact O-N 3.29Å; A1114-I1142 HydrophobicContact CB-CD1 3.73Å
1115I91.7Very high87.7Confident27 Ų2753.4 Ų53.414%0.13825%0.251CS..Hα-helixtrans-67.4-40.4174.8-75.5161.5000111W1111 D1112 E1113 H1119 R1139 I1142 Y1143 Y1147W1111-I1115 WeakPolarHBondContact O-CD1 3.42Å; W1111-I1115 VanDerWaalsContact O-CG1 3.3Å; W1111-I1115 WeakPolarHBondContact O-CG1 3.3Å; W1111-I1115 PolarHBondContact O-N 2.65Å; W1111-I1115 VanDerWaalsContact O-N 3.09Å; D1112-I1115 WeakPolarHBondContact O-CB 3.43Å; D1112-I1115 PolarHBondContact O-N 3.28Å; D1112-I1115 VanDerWaalsContact O-N 3.13Å; E1113-I1115 VanDerWaalsContact C-N 3.31Å; E1113-I1115 PolarHBondContact O-N 2.92Å; I1115-H1119 WeakPolarHBondContact O-CB 3.35Å; I1115-H1119 PolarHBondContact O-N 3.45Å; I1115-R1139 HydrophobicContact CG1-CG 4.27Å; I1115-I1142 HydrophobicContact CD1-CG2 3.75Å; I1115-I1142 HydrophobicContact CG1-CG2 3.97Å; I1115-Y1143 HydrophobicContact CD1-CD1 4.19Å; I1115-Y1143 HydrophobicContact CD1-CE1 3.7Å; I1115-Y1143 HydrophobicContact CG1-CE1 4.19Å; I1115-Y1143 HydrophobicContact CG2-CE1 4.4Å; I1115-Y1147 HydrophobicContact CD1-CD2 4.36Å; I1115-Y1147 HydrophobicContact CD1-CE2 3.58Å
1116E92.8Very high86.3Confident117 Ų11755.5 Ų55.555%0.54726%0.264SS..Hα-helixtrans-64.1-46.8174.2-68.1-169.9177.600111.6D1112 E1113 Y1118 H1119 Y1120D1112-E1116 PolarHBondContact O-N 3.21Å; D1112-E1116 VanDerWaalsContact O-N 3.1Å; E1113-E1116 PolarHBondContact O-N 3.36Å; E1116-Y1118 PolarHBondContact O-N 3.12Å; E1116-H1119 WeakPolarHBondContact O-CA 3.47Å; E1116-H1119 VanDerWaalsContact O-CB 3.26Å; E1116-H1119 WeakPolarHBondContact O-CB 3.48Å; E1116-H1119 PolarHBondContact O-N 3.27Å; E1116-Y1120 HydrophobicContact CB-CE2 4.26Å; E1116-Y1120 WeakPolarHBondContact O-CD2 3.44Å; E1116-Y1120 PolarHBondContact O-N 2.92Å
1117D91.5Very high84.5Confident2 Ų260.1 Ų60.11%0.01129%0.29CS..Hα-helixtrans-62.4-41.9178.4-88.1-4.1000112.8Y1098 R1101 G1102 H1105 E1113 H1119 Y1120 A1121Y1098-D1117 WeakPolarHBondContact CD1-OD1 3.2Å; R1101-D1117 VanDerWaalsContact C-OD2 3.26Å; R1101-D1117 WeakPolarHBondContact CB-OD2 3.44Å; R1101-D1117 WeakPolarHBondContact CG-OD2 3.46Å; R1101-D1117 IonicContact CZ-OD1 3.28Å; R1101-D1117 IonicContact CZ-OD2 3.81Å; R1101-D1117 IonicContact NE-OD1 2.65Å; R1101-D1117 PolarHBondContact NE-OD1 2.97Å; R1101-D1117 IonicContact NE-OD2 2.78Å; R1101-D1117 PolarHBondContact NE-OD2 2.84Å; R1101-D1117 IonicContact NH2-OD1 2.68Å; R1101-D1117 PolarHBondContact NH2-OD1 3.45Å; R1101-D1117 IonicContact NH2-OD2 2.72Å; G1102-D1117 PolarHBondContact N-OD2 2.9Å; G1102-D1117 VanDerWaalsContact N-OD2 3.16Å; H1105-D1117 IonicContact CE1-OD2 3.34Å; H1105-D1117 IonicContact ND1-OD2 2.65Å; E1113-D1117 PolarHBondContact O-N 3.34Å; D1117-H1119 VanDerWaalsContact C-N 3.28Å; D1117-H1119 PolarHBondContact O-N 3.28Å; D1117-Y1120 PolarHBondContact O-N 3.24Å; D1117-A1121 WeakPolarHBondContact O-CB 3.5Å; D1117-A1121 PolarHBondContact O-N 3.36Å
1118Y90.8Very high82.9Confident0 Ų064.5 Ų64.50%030%0.303CS..Hα-helixtrans-67.7-27.2171.7-65.4-41.4000112.7Y1099 L1103 Q1106 A1114 E1116 I1122 N1138 R1139 I1142Y1099-Y1118 HydrophobicContact CD2-CD1 4.06Å; Y1099-Y1118 AromaticContact CD2-CE1 3.76Å; Y1099-Y1118 HydrophobicContact CD2-CE1 3.76Å; Y1099-Y1118 HydrophobicContact CE2-CE1 4.09Å; L1103-Y1118 WeakPolarHBondContact CD2-OH 3.45Å; L1103-Y1118 PolarHBondContact N-OH 2.73Å; Q1106-Y1118 PolarHBondContact OE1-OH 3.45Å; A1114-Y1118 HydrophobicContact CB-CE2 4.43Å; A1114-Y1118 WeakPolarHBondContact O-CB 3.43Å; A1114-Y1118 WeakPolarHBondContact O-CD2 3.2Å; A1114-Y1118 PolarHBondContact O-N 3.29Å; E1116-Y1118 PolarHBondContact O-N 3.12Å; Y1118-I1122 WeakPolarHBondContact O-CD1 3.35Å; Y1118-I1122 VanDerWaalsContact O-CG1 3.23Å; Y1118-I1122 WeakPolarHBondContact O-CG1 3.48Å; Y1118-I1122 PolarHBondContact O-N 3.11Å; Y1118-I1122 VanDerWaalsContact O-N 3.11Å; Y1118-N1138 HydrophobicContact CD2-CB 4.08Å; Y1118-N1138 HydrophobicContact CE1-CB 4Å; Y1118-N1138 HydrophobicContact CE2-CB 3.46Å; Y1118-N1138 VanDerWaalsContact CE2-CB 3.46Å; Y1118-N1138 VanDerWaalsContact CZ-CB 3.41Å; Y1118-N1138 PolarHBondContact OH-ND2 3.08Å; Y1118-R1139 HydrophobicContact CD2-CB 4.19Å; Y1118-R1139 HydrophobicContact CG-CB 4.48Å; Y1118-I1142 HydrophobicContact CD2-CD1 4.22Å; Y1118-I1142 HydrophobicContact CE2-CD1 3.89Å
1119H92.1Very high81.5Confident99 Ų9961.2 Ų61.246%0.45829%0.291SS..Hα-helixtrans-65.5-48.2171.2-172.797.6000111.8I1115 E1116 D1117 I1122 Q1123I1115-H1119 WeakPolarHBondContact O-CB 3.35Å; I1115-H1119 PolarHBondContact O-N 3.45Å; E1116-H1119 WeakPolarHBondContact O-CA 3.47Å; E1116-H1119 VanDerWaalsContact O-CB 3.26Å; E1116-H1119 WeakPolarHBondContact O-CB 3.48Å; E1116-H1119 PolarHBondContact O-N 3.27Å; D1117-H1119 VanDerWaalsContact C-N 3.28Å; D1117-H1119 PolarHBondContact O-N 3.28Å; H1119-I1122 PolarHBondContact O-N 2.95Å; H1119-Q1123 WeakPolarHBondContact O-CB 3.45Å; H1119-Q1123 PolarHBondContact O-N 3Å
1120Y90.1Very high80.6Confident77 Ų7757.1 Ų57.130%0.30227%0.271SS..Hα-helixtrans-64.6-39.1176.1-64.9-61.3000112.4Y1098 E1116 D1117 I1122 Q1123 Y1124Y1098-Y1120 AromaticContact CD1-CD2 3.8Å; Y1098-Y1120 HydrophobicContact CD1-CD2 3.8Å; Y1098-Y1120 AromaticContact CD1-CG 3.95Å; Y1098-Y1120 HydrophobicContact CD1-CG 3.95Å; Y1098-Y1120 AromaticContact CE1-CD2 3.53Å; Y1098-Y1120 HydrophobicContact CE1-CD2 3.53Å; Y1098-Y1120 HydrophobicContact CE1-CE2 4.32Å; Y1098-Y1120 AromaticContact CE1-CG 3.68Å; Y1098-Y1120 HydrophobicContact CE1-CG 3.68Å; Y1098-Y1120 HydrophobicContact CG-CG 4.46Å; Y1098-Y1120 AromaticContact CZ-CG 3.99Å; E1116-Y1120 HydrophobicContact CB-CE2 4.26Å; E1116-Y1120 WeakPolarHBondContact O-CD2 3.44Å; E1116-Y1120 PolarHBondContact O-N 2.92Å; D1117-Y1120 PolarHBondContact O-N 3.24Å; Y1120-I1122 VanDerWaalsContact C-N 3.32Å; Y1120-I1122 PolarHBondContact O-N 3.49Å; Y1120-Q1123 PolarHBondContact O-N 3.45Å; Y1120-Y1124 AromaticContact CD1-CE2 3.97Å; Y1120-Y1124 HydrophobicContact CD1-CE2 3.97Å; Y1120-Y1124 HydrophobicContact CG-CE2 4.42Å; Y1120-Y1124 WeakPolarHBondContact O-CD2 3.21Å; Y1120-Y1124 PolarHBondContact O-N 3.24Å
1121A86Confident79.7Confident0 Ų054.8 Ų54.80%026%0.261CS..Hα-helixtrans-60.2-39.3175.100000112.8S1095 D1117 G1125 I1131S1095-A1121 WeakPolarHBondContact CB-O 3.29Å; D1117-A1121 WeakPolarHBondContact O-CB 3.5Å; D1117-A1121 PolarHBondContact O-N 3.36Å; A1121-G1125 PolarHBondContact O-N 3.16Å; A1121-G1125 VanDerWaalsContact O-N 3.09Å; A1121-I1131 HydrophobicContact CB-CG2 4.41Å
1122I87.1Confident79.2Confident24 Ų2454 Ų5412%0.12326%0.259CS..Hα-helixtrans-68.1-48.4173.3-68.7162.2000110.5Y1118 H1119 Y1120 Y1124 G1125 Q1132 S1135 F1136Y1118-I1122 WeakPolarHBondContact O-CD1 3.35Å; Y1118-I1122 VanDerWaalsContact O-CG1 3.23Å; Y1118-I1122 WeakPolarHBondContact O-CG1 3.48Å; Y1118-I1122 PolarHBondContact O-N 3.11Å; Y1118-I1122 VanDerWaalsContact O-N 3.11Å; H1119-I1122 PolarHBondContact O-N 2.95Å; Y1120-I1122 VanDerWaalsContact C-N 3.32Å; Y1120-I1122 PolarHBondContact O-N 3.49Å; I1122-Y1124 VanDerWaalsContact C-N 3.32Å; I1122-Y1124 PolarHBondContact O-N 2.89Å; I1122-G1125 PolarHBondContact O-N 2.68Å; I1122-Q1132 PolarHBondContact O-NE2 3.09Å; I1122-S1135 WeakPolarHBondContact CG1-OG 3.1Å; I1122-F1136 HydrophobicContact CD1-CD1 3.56Å; I1122-F1136 HydrophobicContact CD1-CD2 4.26Å; I1122-F1136 HydrophobicContact CD1-CE1 3.72Å; I1122-F1136 HydrophobicContact CD1-CE2 4.38Å; I1122-F1136 HydrophobicContact CD1-CG 3.84Å; I1122-F1136 HydrophobicContact CD1-CZ 4.13Å; I1122-F1136 HydrophobicContact CG1-CD1 4.4Å; I1122-F1136 HydrophobicContact CG1-CD2 4.26Å; I1122-F1136 HydrophobicContact CG1-CE1 4.42Å; I1122-F1136 HydrophobicContact CG1-CE2 4.25Å; I1122-F1136 HydrophobicContact CG1-CG 4.31Å; I1122-F1136 HydrophobicContact CG1-CZ 4.34Å; I1122-F1136 HydrophobicContact CG2-CE1 4.16Å; I1122-F1136 HydrophobicContact CG2-CE2 3.86Å; I1122-F1136 HydrophobicContact CG2-CZ 3.56Å
1123Q86.6Confident78.6Confident111 Ų11149.9 Ų49.952%0.51924%0.237SC..Hα-helixtrans-60.7-37.1-175.4-175.1-179.17.200113.2H1119 Y1120H1119-Q1123 WeakPolarHBondContact O-CB 3.45Å; H1119-Q1123 PolarHBondContact O-N 3Å; Y1120-Q1123 PolarHBondContact O-N 3.45Å
1124Y82.4Confident77.9Confident75 Ų7548.4 Ų48.429%0.29423%0.229SC..Hα-helixtrans-101.6-2.2-179-54.5-51.9000114.3Q1092 R1093 Y1098 Y1120 I1122Q1092-Y1124 WeakPolarHBondContact O-CE2 3.45Å; R1093-Y1124 HydrophobicContact CB-CD1 4.23Å; R1093-Y1124 HydrophobicContact CB-CG 4.27Å; R1093-Y1124 HydrophobicContact CG-CD1 4.05Å; R1093-Y1124 HydrophobicContact CG-CE1 4.09Å; R1093-Y1124 VanDerWaalsContact O-CB 3.27Å; R1093-Y1124 WeakPolarHBondContact O-CB 3.3Å; Y1098-Y1124 HydrophobicContact CD2-CD2 4.08Å; Y1098-Y1124 HydrophobicContact CD2-CE2 4.37Å; Y1098-Y1124 AromaticContact CE2-CD2 3.85Å; Y1098-Y1124 HydrophobicContact CE2-CD2 3.85Å; Y1098-Y1124 AromaticContact CE2-CE2 3.72Å; Y1098-Y1124 HydrophobicContact CE2-CE2 3.72Å; Y1120-Y1124 AromaticContact CD1-CE2 3.97Å; Y1120-Y1124 HydrophobicContact CD1-CE2 3.97Å; Y1120-Y1124 HydrophobicContact CG-CE2 4.42Å; Y1120-Y1124 WeakPolarHBondContact O-CD2 3.21Å; Y1120-Y1124 PolarHBondContact O-N 3.24Å; I1122-Y1124 VanDerWaalsContact C-N 3.32Å; I1122-Y1124 PolarHBondContact O-N 2.89Å
1125G67.2Low77.6Confident13 Ų1348.4 Ų48.413%0.13423%0.229CC..SBendtrans-66.2144.6176.200000112.3A1121 I1122 Q1132A1121-G1125 PolarHBondContact O-N 3.16Å; A1121-G1125 VanDerWaalsContact O-N 3.09Å; I1122-G1125 PolarHBondContact O-N 2.68Å; G1125-Q1132 PolarHBondContact O-NE2 3Å; G1125-Q1132 VanDerWaalsContact O-NE2 3.09Å
1126T62Low77.4Confident53 Ų5348.1 Ų48.133%0.32523%0.227SC..  trans-71.2155.5173.657.20000110.8Y1128 G1129 Q1132T1126-Y1128 PolarHBondContact O-N 2.7Å; T1126-G1129 PolarHBondContact O-N 3.27Å; T1126-Q1132 PolarHBondContact O-OE1 3.28Å
1127L47.5Very low77Confident139 Ų13942.8 Ų42.873%0.72820%0.201SC*.THydrogen-bonded Turntrans-61.5-9.9-177.2-80163.9000115.5
1128Y48.6Very low76.6Confident159 Ų15943 Ų4362%0.62420%0.202SC*.THydrogen-bonded Turntrans-11714.2177.1-57-80.5000111.8Q183 T1126 S1130 F1167Q183-Y1128 PolarHBondContact OE1-O 3.3Å; T1126-Y1128 PolarHBondContact O-N 2.7Å; Y1128-S1130 PolarHBondContact O-N 2.68Å; Y1128-F1167 VanDerWaalsContact O-CZ 3.31Å; Y1128-F1167 WeakPolarHBondContact O-CZ 3.29Å
1129G58.6Low76.5Confident3 Ų344 Ų443%0.03121%0.206CC..  trans-81.1119.6-168.400000114T1126 I1131 Q1132 L1133T1126-G1129 PolarHBondContact O-N 3.27Å; G1129-I1131 PolarHBondContact O-N 2.65Å; G1129-Q1132 WeakPolarHBondContact O-CB 3.26Å; G1129-Q1132 PolarHBondContact O-N 3.33Å; G1129-L1133 PolarHBondContact O-N 3.48Å
1130S65.3Low76.3Confident16 Ų1639.3 Ų39.311%0.11219%0.185CC..Hα-helixtrans-51.2-34.1162.553.60000112.4Y1128 Q1132 L1133 Y1134Y1128-S1130 PolarHBondContact O-N 2.68Å; S1130-Q1132 VanDerWaalsContact C-N 3.32Å; S1130-Q1132 PolarHBondContact O-N 2.75Å; S1130-L1133 WeakPolarHBondContact O-CB 3.39Å; S1130-L1133 PolarHBondContact O-N 2.73Å; S1130-L1133 VanDerWaalsContact O-N 3.15Å; S1130-Y1134 WeakPolarHBondContact O-CD2 3.09Å; S1130-Y1134 PolarHBondContact O-N 3.23Å
1131I71.3Confident76Confident16 Ų1636.6 Ų36.68%0.08218%0.176CC..Hα-helixtrans-57.1-40.6174.5-56.1167.9000111.8L1096 Y1099 A1121 G1129 S1135L1096-I1131 HydrophobicContact CB-CD1 3.93Å; L1096-I1131 HydrophobicContact CD1-CD1 3.8Å; L1096-I1131 HydrophobicContact CD1-CG1 4.22Å; L1096-I1131 HydrophobicContact CG-CD1 4.46Å; Y1099-I1131 HydrophobicContact CG-CG2 4.17Å; A1121-I1131 HydrophobicContact CB-CG2 4.41Å; G1129-I1131 PolarHBondContact O-N 2.65Å; I1131-S1135 WeakPolarHBondContact O-CB 3.48Å; I1131-S1135 PolarHBondContact O-N 3.12Å; I1131-S1135 PolarHBondContact O-OG 3.14Å
1132Q77.9Confident76Confident30 Ų3036.7 Ų36.714%0.1418%0.176CC..Hα-helixtrans-66-44.7176.3-67.7-166.3-36.300110.9I1122 G1125 T1126 G1129 S1130 Y1134 S1135 F1136 I1163I1122-Q1132 PolarHBondContact O-NE2 3.09Å; G1125-Q1132 PolarHBondContact O-NE2 3Å; G1125-Q1132 VanDerWaalsContact O-NE2 3.09Å; T1126-Q1132 PolarHBondContact O-OE1 3.28Å; G1129-Q1132 WeakPolarHBondContact O-CB 3.26Å; G1129-Q1132 PolarHBondContact O-N 3.33Å; S1130-Q1132 VanDerWaalsContact C-N 3.32Å; S1130-Q1132 PolarHBondContact O-N 2.75Å; Q1132-Y1134 PolarHBondContact O-N 3.07Å; Q1132-S1135 WeakPolarHBondContact CA-OG 3.43Å; Q1132-S1135 PolarHBondContact O-N 2.88Å; Q1132-S1135 PolarHBondContact O-OG 3.03Å; Q1132-S1135 VanDerWaalsContact O-OG 3.11Å; Q1132-F1136 WeakPolarHBondContact O-CD2 3.35Å; Q1132-F1136 PolarHBondContact O-N 2.89Å; Q1132-I1163 HydrophobicContact CB-CD1 4Å
1133L77.6Confident76Confident12 Ų1237 Ų376%0.06318%0.176CC..Hα-helixtrans-57.1-48.8177.8177.759.4000111.4G1129 S1130 I1137 A1160 I1163 M1164 L1186G1129-L1133 PolarHBondContact O-N 3.48Å; S1130-L1133 WeakPolarHBondContact O-CB 3.39Å; S1130-L1133 PolarHBondContact O-N 2.73Å; S1130-L1133 VanDerWaalsContact O-N 3.15Å; L1133-I1137 HydrophobicContact CD1-CD1 3.82Å; L1133-I1137 HydrophobicContact CG-CD1 4.02Å; L1133-I1137 WeakPolarHBondContact O-CB 3.35Å; L1133-I1137 WeakPolarHBondContact O-CD1 3.18Å; L1133-I1137 VanDerWaalsContact O-CG1 3.25Å; L1133-I1137 WeakPolarHBondContact O-CG1 3.49Å; L1133-I1137 PolarHBondContact O-N 3.43Å; L1133-I1137 VanDerWaalsContact O-N 3.17Å; L1133-A1160 HydrophobicContact CD1-CB 3.67Å; L1133-A1160 WeakPolarHBondContact CD1-O 3.34Å; L1133-I1163 HydrophobicContact CB-CG2 4.16Å; L1133-M1164 HydrophobicContact CD1-CE 4.43Å; L1133-M1164 HydrophobicContact CD1-CG 3.81Å; L1133-M1164 HydrophobicContact CD1-SD 4.26Å; L1133-M1164 HydrophobicContact CD2-CG 3.78Å; L1133-M1164 HydrophobicContact CD2-SD 4.35Å; L1133-M1164 HydrophobicContact CG-CG 4.48Å; L1133-L1186 HydrophobicContact CD2-CD2 3.99Å; L1133-L1186 HydrophobicContact CG-CD2 4.47Å
1134Y76.9Confident75.8Confident43 Ų4331.9 Ų31.917%0.16915%0.152CC..Hα-helixtrans-74.4-33.9-177.4-55.3-30.6000113.5L171 E176 Y1099 S1130 Q1132 I1137 N1138 L1186L171-Y1134 HydrophobicContact CD1-CD1 3.84Å; L171-Y1134 HydrophobicContact CD1-CD2 4.26Å; L171-Y1134 HydrophobicContact CD1-CE1 3.37Å; L171-Y1134 HydrophobicContact CD1-CE2 3.83Å; L171-Y1134 HydrophobicContact CD1-CG 4.28Å; E176-Y1134 WeakPolarHBondContact OE1-CD2 3.01Å; Y1099-Y1134 WeakPolarHBondContact OH-CB 3.23Å; S1130-Y1134 WeakPolarHBondContact O-CD2 3.09Å; S1130-Y1134 PolarHBondContact O-N 3.23Å; Q1132-Y1134 PolarHBondContact O-N 3.07Å; Y1134-I1137 PolarHBondContact O-N 3.47Å; Y1134-N1138 WeakPolarHBondContact O-CB 2.92Å; Y1134-N1138 VanDerWaalsContact O-CG 3.23Å; Y1134-N1138 PolarHBondContact O-N 3.13Å; Y1134-L1186 HydrophobicContact CE1-CD2 4.42Å
1135S85.1Confident75.6Confident0 Ų032.2 Ų32.20%016%0.156CC..Hα-helixtrans-68.8-39.6174.747.90000112.9I1122 I1131 Q1132 I1137 R1139I1122-S1135 WeakPolarHBondContact CG1-OG 3.1Å; I1131-S1135 WeakPolarHBondContact O-CB 3.48Å; I1131-S1135 PolarHBondContact O-N 3.12Å; I1131-S1135 PolarHBondContact O-OG 3.14Å; Q1132-S1135 WeakPolarHBondContact CA-OG 3.43Å; Q1132-S1135 PolarHBondContact O-N 2.88Å; Q1132-S1135 PolarHBondContact O-OG 3.03Å; Q1132-S1135 VanDerWaalsContact O-OG 3.11Å; S1135-I1137 VanDerWaalsContact C-N 3.34Å; S1135-I1137 PolarHBondContact O-N 3.22Å; S1135-R1139 VanDerWaalsContact O-CB 3.26Å; S1135-R1139 WeakPolarHBondContact O-CB 3.48Å; S1135-R1139 PolarHBondContact O-N 3.1Å
1136F87.5Confident76.2Confident22 Ų2236 Ų3610%0.09617%0.169CC..Hα-helixtrans-58.8-45.4169.1-83.5-62.3000111.6I1122 Q1132 S1140 D1156 Q1159 A1160 I1163I1122-F1136 HydrophobicContact CD1-CD1 3.56Å; I1122-F1136 HydrophobicContact CD1-CD2 4.26Å; I1122-F1136 HydrophobicContact CD1-CE1 3.72Å; I1122-F1136 HydrophobicContact CD1-CE2 4.38Å; I1122-F1136 HydrophobicContact CD1-CG 3.84Å; I1122-F1136 HydrophobicContact CD1-CZ 4.13Å; I1122-F1136 HydrophobicContact CG1-CD1 4.4Å; I1122-F1136 HydrophobicContact CG1-CD2 4.26Å; I1122-F1136 HydrophobicContact CG1-CE1 4.42Å; I1122-F1136 HydrophobicContact CG1-CE2 4.25Å; I1122-F1136 HydrophobicContact CG1-CG 4.31Å; I1122-F1136 HydrophobicContact CG1-CZ 4.34Å; I1122-F1136 HydrophobicContact CG2-CE1 4.16Å; I1122-F1136 HydrophobicContact CG2-CE2 3.86Å; I1122-F1136 HydrophobicContact CG2-CZ 3.56Å; Q1132-F1136 WeakPolarHBondContact O-CD2 3.35Å; Q1132-F1136 PolarHBondContact O-N 2.89Å; F1136-S1140 WeakPolarHBondContact O-CB 3.42Å; F1136-S1140 PolarHBondContact O-N 2.98Å; F1136-D1156 HydrophobicContact CB-CB 4.49Å; F1136-D1156 HydrophobicContact CD1-CB 3.94Å; F1136-Q1159 HydrophobicContact CD1-CB 3.95Å; F1136-Q1159 HydrophobicContact CD2-CB 4.03Å; F1136-Q1159 HydrophobicContact CE1-CB 3.64Å; F1136-Q1159 HydrophobicContact CE1-CG 3.85Å; F1136-Q1159 HydrophobicContact CE2-CB 3.75Å; F1136-Q1159 HydrophobicContact CG-CB 4.16Å; F1136-Q1159 HydrophobicContact CZ-CB 3.54Å; F1136-Q1159 HydrophobicContact CZ-CG 3.88Å; F1136-A1160 HydrophobicContact CB-CB 4.01Å; F1136-I1163 HydrophobicContact CD2-CD1 3.93Å; F1136-I1163 HydrophobicContact CE2-CD1 3.96Å
1137I84.1Confident77.1Confident4 Ų438 Ų382%0.02117%0.171CC..Hα-helixtrans-62.5-52.2179.7-75.1166.8000111I169 L1133 Y1134 S1135 R1139 S1140 I1141 A1160 L1186 L1190I169-I1137 HydrophobicContact CB-CG2 4.12Å; I169-I1137 HydrophobicContact CD1-CD1 3.83Å; I169-I1137 HydrophobicContact CD1-CG2 3.76Å; I169-I1137 HydrophobicContact CG1-CG2 4.43Å; I169-I1137 HydrophobicContact CG2-CG2 4.26Å; L1133-I1137 HydrophobicContact CD1-CD1 3.82Å; L1133-I1137 HydrophobicContact CG-CD1 4.02Å; L1133-I1137 WeakPolarHBondContact O-CB 3.35Å; L1133-I1137 WeakPolarHBondContact O-CD1 3.18Å; L1133-I1137 VanDerWaalsContact O-CG1 3.25Å; L1133-I1137 WeakPolarHBondContact O-CG1 3.49Å; L1133-I1137 PolarHBondContact O-N 3.43Å; L1133-I1137 VanDerWaalsContact O-N 3.17Å; Y1134-I1137 PolarHBondContact O-N 3.47Å; S1135-I1137 VanDerWaalsContact C-N 3.34Å; S1135-I1137 PolarHBondContact O-N 3.22Å; I1137-R1139 PolarHBondContact O-N 3.03Å; I1137-S1140 PolarHBondContact O-N 3Å; I1137-S1140 PolarHBondContact O-OG 2.91Å; I1137-I1141 HydrophobicContact CG2-CD1 4.05Å; I1137-I1141 WeakPolarHBondContact O-CG1 3.29Å; I1137-I1141 PolarHBondContact O-N 3.08Å; I1137-A1160 HydrophobicContact CD1-CB 4.42Å; I1137-A1160 HydrophobicContact CG1-CB 4.01Å; I1137-L1186 HydrophobicContact CD1-CD2 4.17Å; I1137-L1190 HydrophobicContact CD1-CD1 4.16Å; I1137-L1190 HydrophobicContact CG1-CD1 4.04Å
1138N84.5Confident78.6Confident6 Ų636.4 Ų36.43%0.03216%0.16CC..Hα-helixtrans-64.7-39.1-177.7-66.1-10.9000111.9Y1118 Y1134 I1141 I1142Y1118-N1138 HydrophobicContact CD2-CB 4.08Å; Y1118-N1138 HydrophobicContact CE1-CB 4Å; Y1118-N1138 HydrophobicContact CE2-CB 3.46Å; Y1118-N1138 VanDerWaalsContact CE2-CB 3.46Å; Y1118-N1138 VanDerWaalsContact CZ-CB 3.41Å; Y1118-N1138 PolarHBondContact OH-ND2 3.08Å; Y1134-N1138 WeakPolarHBondContact O-CB 2.92Å; Y1134-N1138 VanDerWaalsContact O-CG 3.23Å; Y1134-N1138 PolarHBondContact O-N 3.13Å; N1138-I1141 PolarHBondContact O-N 3.16Å; N1138-I1142 WeakPolarHBondContact O-CG1 3.29Å; N1138-I1142 PolarHBondContact O-N 2.99Å; N1138-I1142 VanDerWaalsContact O-N 3.14Å
1139R89.1Confident80.4Confident21 Ų2130.8 Ų30.88%0.07914%0.141CC..Hα-helixtrans-63.8-40.7174.1-165173.168.6-166.80.9112.1I1115 Y1118 S1135 I1137 I1141 I1142 Y1143 D1156I1115-R1139 HydrophobicContact CG1-CG 4.27Å; Y1118-R1139 HydrophobicContact CD2-CB 4.19Å; Y1118-R1139 HydrophobicContact CG-CB 4.48Å; S1135-R1139 VanDerWaalsContact O-CB 3.26Å; S1135-R1139 WeakPolarHBondContact O-CB 3.48Å; S1135-R1139 PolarHBondContact O-N 3.1Å; I1137-R1139 PolarHBondContact O-N 3.03Å; R1139-I1141 VanDerWaalsContact C-N 3.31Å; R1139-I1141 PolarHBondContact O-N 2.97Å; R1139-I1142 PolarHBondContact O-N 3.13Å; R1139-Y1143 HydrophobicContact CG-CD2 4.25Å; R1139-Y1143 HydrophobicContact CG-CE2 3.64Å; R1139-Y1143 WeakPolarHBondContact O-CD2 3.27Å; R1139-Y1143 PolarHBondContact O-N 3.29Å; R1139-D1156 IonicContact CZ-OD1 3.6Å; R1139-D1156 IonicContact CZ-OD2 3.13Å; R1139-D1156 IonicContact NE-OD1 2.75Å; R1139-D1156 IonicContact NE-OD2 2.65Å; R1139-D1156 PolarHBondContact NE-OD2 2.93Å; R1139-D1156 IonicContact NH2-OD1 3.19Å; R1139-D1156 PolarHBondContact NH2-OD1 3.26Å; R1139-D1156 IonicContact NH2-OD2 3.59Å; R1139-D1156 PolarHBondContact NH2-OD2 3.39Å
1140S86.8Confident81.7Confident1 Ų132.4 Ų32.41%0.00715%0.146CC..Hα-helixtrans-61.3-37.517481.80000112.7F1136 I1137 Y1143 M1144 L1157F1136-S1140 WeakPolarHBondContact O-CB 3.42Å; F1136-S1140 PolarHBondContact O-N 2.98Å; I1137-S1140 PolarHBondContact O-N 3Å; I1137-S1140 PolarHBondContact O-OG 2.91Å; S1140-Y1143 PolarHBondContact O-N 3.01Å; S1140-M1144 WeakPolarHBondContact O-CG 3.48Å; S1140-M1144 PolarHBondContact O-N 2.76Å; S1140-L1157 WeakPolarHBondContact OG-CD2 3.28Å
1141I83.8Confident82.8Confident21 Ų2136.6 Ų36.611%0.10816%0.164CC..Hα-helixtrans-64.1-43176.8-68.2165.4000110.6L168 I1137 N1138 R1139 M1144 E1145L168-I1141 HydrophobicContact CB-CD1 4.35Å; L168-I1141 WeakPolarHBondContact O-CD1 3.48Å; I1137-I1141 HydrophobicContact CG2-CD1 4.05Å; I1137-I1141 WeakPolarHBondContact O-CG1 3.29Å; I1137-I1141 PolarHBondContact O-N 3.08Å; N1138-I1141 PolarHBondContact O-N 3.16Å; R1139-I1141 VanDerWaalsContact C-N 3.31Å; R1139-I1141 PolarHBondContact O-N 2.97Å; I1141-M1144 HydrophobicContact CG1-CE 4.05Å; I1141-M1144 PolarHBondContact O-N 3.29Å; I1141-E1145 HydrophobicContact CG2-CG 4.25Å; I1141-E1145 PolarHBondContact O-N 3.2Å
1142I86Confident83.6Confident1 Ų140.5 Ų40.51%0.00518%0.18CC..Hα-helixtrans-62.3-45175.8-63.8174.6000111Q1106 W1111 A1114 I1115 Y1118 N1138 R1139 M1144 E1145 K1146 Y1147Q1106-I1142 HydrophobicContact CG-CD1 4.22Å; Q1106-I1142 HydrophobicContact CG-CG1 4.43Å; W1111-I1142 HydrophobicContact CB-CG2 4.08Å; W1111-I1142 HydrophobicContact CE3-CD1 4.31Å; W1111-I1142 HydrophobicContact CE3-CG1 4.03Å; W1111-I1142 HydrophobicContact CE3-CG2 4.08Å; W1111-I1142 HydrophobicContact CZ3-CG1 4.4Å; A1114-I1142 HydrophobicContact CB-CD1 3.73Å; I1115-I1142 HydrophobicContact CD1-CG2 3.75Å; I1115-I1142 HydrophobicContact CG1-CG2 3.97Å; Y1118-I1142 HydrophobicContact CD2-CD1 4.22Å; Y1118-I1142 HydrophobicContact CE2-CD1 3.89Å; N1138-I1142 WeakPolarHBondContact O-CG1 3.29Å; N1138-I1142 PolarHBondContact O-N 2.99Å; N1138-I1142 VanDerWaalsContact O-N 3.14Å; R1139-I1142 PolarHBondContact O-N 3.13Å; I1142-M1144 VanDerWaalsContact C-N 3.32Å; I1142-M1144 PolarHBondContact O-N 2.85Å; I1142-E1145 PolarHBondContact O-N 3.07Å; I1142-K1146 WeakPolarHBondContact O-CB 3.39Å; I1142-K1146 PolarHBondContact O-N 3.01Å; I1142-K1146 VanDerWaalsContact O-N 3.08Å; I1142-Y1147 HydrophobicContact CG2-CD2 4.21Å; I1142-Y1147 HydrophobicContact CG2-CE2 3.73Å
1143Y87.9Confident84.1Confident31 Ų3139.1 Ų39.112%0.12217%0.173CC..Iπ-helixtrans-60.9-38.3176.2-68-39.4000112.9I1115 R1139 S1140 Y1147 Q1148 D1149 K1152 D1156I1115-Y1143 HydrophobicContact CD1-CD1 4.19Å; I1115-Y1143 HydrophobicContact CD1-CE1 3.7Å; I1115-Y1143 HydrophobicContact CG1-CE1 4.19Å; I1115-Y1143 HydrophobicContact CG2-CE1 4.4Å; R1139-Y1143 HydrophobicContact CG-CD2 4.25Å; R1139-Y1143 HydrophobicContact CG-CE2 3.64Å; R1139-Y1143 WeakPolarHBondContact O-CD2 3.27Å; R1139-Y1143 PolarHBondContact O-N 3.29Å; S1140-Y1143 PolarHBondContact O-N 3.01Å; Y1143-Y1147 HydrophobicContact CD1-CD2 4.28Å; Y1143-Q1148 PolarHBondContact O-N 3.14Å; Y1143-D1149 PolarHBondContact O-N 3.37Å; Y1143-K1152 HydrophobicContact CD1-CB 4.34Å; Y1143-K1152 HydrophobicContact CD1-CD 4.1Å; Y1143-K1152 HydrophobicContact CD2-CB 3.51Å; Y1143-K1152 HydrophobicContact CD2-CD 4.46Å; Y1143-K1152 HydrophobicContact CE1-CD 3.77Å; Y1143-K1152 HydrophobicContact CE2-CB 3.72Å; Y1143-K1152 HydrophobicContact CE2-CD 4.13Å; Y1143-K1152 HydrophobicContact CG-CB 3.86Å; Y1143-K1152 HydrophobicContact CG-CD 4.46Å; Y1143-D1156 WeakPolarHBondContact CE2-OD2 3.24Å
1144M82.5Confident84.5Confident4 Ų439 Ų392%0.0217%0.173CC..Iπ-helixtrans-70.5-50.6175.9-69.3-175.7-7100113.2L165 S1140 I1141 I1142 Y1150 A1153 C1197L165-M1144 HydrophobicContact CD1-CB 3.75Å; L165-M1144 HydrophobicContact CD1-CE 4.5Å; L165-M1144 HydrophobicContact CD1-CG 4.39Å; L165-M1144 HydrophobicContact CD1-SD 3.95Å; L165-M1144 HydrophobicContact CD2-CE 4Å; L165-M1144 HydrophobicContact CD2-SD 3.53Å; L165-M1144 VanDerWaalsContact CD2-SD 3.53Å; L165-M1144 HydrophobicContact CG-SD 4.39Å; S1140-M1144 WeakPolarHBondContact O-CG 3.48Å; S1140-M1144 PolarHBondContact O-N 2.76Å; I1141-M1144 HydrophobicContact CG1-CE 4.05Å; I1141-M1144 PolarHBondContact O-N 3.29Å; I1142-M1144 VanDerWaalsContact C-N 3.32Å; I1142-M1144 PolarHBondContact O-N 2.85Å; M1144-Y1150 HydrophobicContact CG-CD1 4.2Å; M1144-Y1150 HydrophobicContact CG-CE1 4.45Å; M1144-A1153 HydrophobicContact CG-CB 3.57Å; M1144-A1153 HydrophobicContact SD-CB 4.41Å; M1144-C1197 PolarHBondContact SD-SG 3.38Å
1145E77.1Confident85.2Confident82 Ų8241.9 Ų41.938%0.38319%0.191SC..Iπ-helixtrans-77.6-28.4-170.6-70.9-157.3153.800114.4I1141 I1142I1141-E1145 HydrophobicContact CG2-CG 4.25Å; I1141-E1145 PolarHBondContact O-N 3.2Å; I1142-E1145 PolarHBondContact O-N 3.07Å
1146K80.3Confident85.4Confident92 Ų9242.5 Ų42.540%0.419%0.194SC..Iπ-helixtrans-112.4-53.1-169.5-55.9-66.2163.3167.60113.1W1111 I1142W1111-K1146 HydrophobicContact CD2-CD 3.94Å; W1111-K1146 HydrophobicContact CD2-CG 3.68Å; W1111-K1146 VanDerWaalsContact CE2-CE 3.47Å; W1111-K1146 HydrophobicContact CE3-CD 4.41Å; W1111-K1146 HydrophobicContact CE3-CG 3.93Å; W1111-K1146 HydrophobicContact CG-CD 4.4Å; W1111-K1146 HydrophobicContact CG-CG 4.02Å; W1111-K1146 HydrophobicContact CH2-CD 4.4Å; W1111-K1146 VanDerWaalsContact CH2-CE 3.41Å; W1111-K1146 HydrophobicContact CZ2-CD 3.9Å; W1111-K1146 HydrophobicContact CZ2-CG 4.45Å; W1111-K1146 HydrophobicContact CZ3-CG 4.41Å; I1142-K1146 WeakPolarHBondContact O-CB 3.39Å; I1142-K1146 PolarHBondContact O-N 3.01Å; I1142-K1146 VanDerWaalsContact O-N 3.08Å
1147Y81.3Confident85.4Confident94 Ų9441.6 Ų41.637%0.36919%0.191SC..Iπ-helixtrans-88.1-14.2-176.4-56.6-94000112.5W1111 D1112 I1115 I1142 Y1143 D1149W1111-Y1147 HydrophobicContact CB-CE2 4.18Å; W1111-Y1147 WeakPolarHBondContact CB-OH 3.21Å; D1112-Y1147 PolarHBondContact OD1-OH 3.3Å; D1112-Y1147 PolarHBondContact OD2-OH 3.23Å; I1115-Y1147 HydrophobicContact CD1-CD2 4.36Å; I1115-Y1147 HydrophobicContact CD1-CE2 3.58Å; I1142-Y1147 HydrophobicContact CG2-CD2 4.21Å; I1142-Y1147 HydrophobicContact CG2-CE2 3.73Å; Y1143-Y1147 HydrophobicContact CD1-CD2 4.28Å; Y1147-D1149 PolarHBondContact O-N 2.93Å; Y1147-D1149 VanDerWaalsContact O-N 3.17Å
1148Q79.3Confident85.6Confident107 Ų10745.7 Ų45.750%0.521%0.206SC..  trans52.829-170.9-57.4-175.1-4.400112.3Y1143 Y1150Y1143-Q1148 PolarHBondContact O-N 3.14Å; Q1148-Y1150 HydrophobicContact CB-CE2 4.15Å; Q1148-Y1150 WeakPolarHBondContact O-CD2 3.3Å; Q1148-Y1150 WeakPolarHBondContact O-CE2 3.32Å; Q1148-Y1150 PolarHBondContact O-N 3.28Å
1149D85.7Confident85.8Confident40 Ų4049.7 Ų49.721%0.21423%0.225CC..  trans-91.773.2-177.7-167.8-23.5000109.9Y1143 Y1147 H1151 K1152 A1153Y1143-D1149 PolarHBondContact O-N 3.37Å; Y1147-D1149 PolarHBondContact O-N 2.93Å; Y1147-D1149 VanDerWaalsContact O-N 3.17Å; D1149-H1151 PolarHBondContact O-N 3.45Å; D1149-H1151 PolarHBondContact OD1-N 3.38Å; D1149-K1152 PolarHBondContact O-N 3.5Å; D1149-K1152 PolarHBondContact OD1-N 3.09Å; D1149-K1152 WeakPolarHBondContact OD2-CD 3.46Å; D1149-K1152 VanDerWaalsContact OD2-CE 3.31Å; D1149-K1152 WeakPolarHBondContact OD2-CE 3.46Å; D1149-K1152 WeakPolarHBondContact OD2-CG 3.48Å; D1149-K1152 IonicContact OD2-NZ 3.66Å; D1149-K1152 PolarHBondContact OD2-NZ 3.19Å; D1149-A1153 PolarHBondContact O-N 3.12Å; D1149-A1153 VanDerWaalsContact O-N 3.14Å
1150Y85.4Confident85.5Confident38 Ų3848.7 Ų48.715%0.14922%0.221CC..Hα-helixtrans-61.9-22.1179.2-54.5-73.9000112.6M1144 Q1148 I1154 C1197 R1200 L1201M1144-Y1150 HydrophobicContact CG-CD1 4.2Å; M1144-Y1150 HydrophobicContact CG-CE1 4.45Å; Q1148-Y1150 HydrophobicContact CB-CE2 4.15Å; Q1148-Y1150 WeakPolarHBondContact O-CD2 3.3Å; Q1148-Y1150 WeakPolarHBondContact O-CE2 3.32Å; Q1148-Y1150 PolarHBondContact O-N 3.28Å; Y1150-I1154 WeakPolarHBondContact O-CB 3.29Å; Y1150-I1154 WeakPolarHBondContact O-CD1 3.29Å; Y1150-I1154 WeakPolarHBondContact O-CG1 3.34Å; Y1150-I1154 PolarHBondContact O-N 3.1Å; Y1150-C1197 HydrophobicContact CD1-CB 4.5Å; Y1150-R1200 HydrophobicContact CD1-CB 3.96Å; Y1150-R1200 HydrophobicContact CD1-CG 4.4Å; Y1150-R1200 HydrophobicContact CD2-CB 3.83Å; Y1150-R1200 HydrophobicContact CE1-CB 3.84Å; Y1150-R1200 HydrophobicContact CE1-CG 3.89Å; Y1150-R1200 HydrophobicContact CE2-CB 3.72Å; Y1150-R1200 HydrophobicContact CE2-CG 4.35Å; Y1150-R1200 HydrophobicContact CG-CB 3.96Å; Y1150-L1201 HydrophobicContact CD2-CD2 4.37Å
1151H87.7Confident85.4Confident104 Ų10451.1 Ų51.148%0.48123%0.232SC..Hα-helixtrans-67.4-47.9175.5-73.5-70.3000111.7D1149 N1155D1149-H1151 PolarHBondContact O-N 3.45Å; D1149-H1151 PolarHBondContact OD1-N 3.38Å; H1151-N1155 PolarHBondContact O-N 2.85Å
1152K88.4Confident85.5Confident98 Ų9855 Ų5543%0.42625%0.251SS..Hα-helixtrans-64.7-42.9174.2-68.8-175-172.71140111.7Y1143 D1149 I1154 N1155 D1156Y1143-K1152 HydrophobicContact CD1-CB 4.34Å; Y1143-K1152 HydrophobicContact CD1-CD 4.1Å; Y1143-K1152 HydrophobicContact CD2-CB 3.51Å; Y1143-K1152 HydrophobicContact CD2-CD 4.46Å; Y1143-K1152 HydrophobicContact CE1-CD 3.77Å; Y1143-K1152 HydrophobicContact CE2-CB 3.72Å; Y1143-K1152 HydrophobicContact CE2-CD 4.13Å; Y1143-K1152 HydrophobicContact CG-CB 3.86Å; Y1143-K1152 HydrophobicContact CG-CD 4.46Å; D1149-K1152 PolarHBondContact O-N 3.5Å; D1149-K1152 PolarHBondContact OD1-N 3.09Å; D1149-K1152 WeakPolarHBondContact OD2-CD 3.46Å; D1149-K1152 VanDerWaalsContact OD2-CE 3.31Å; D1149-K1152 WeakPolarHBondContact OD2-CE 3.46Å; D1149-K1152 WeakPolarHBondContact OD2-CG 3.48Å; D1149-K1152 IonicContact OD2-NZ 3.66Å; D1149-K1152 PolarHBondContact OD2-NZ 3.19Å; K1152-I1154 VanDerWaalsContact C-N 3.35Å; K1152-I1154 PolarHBondContact O-N 3.29Å; K1152-N1155 PolarHBondContact O-N 3.25Å; K1152-D1156 PolarHBondContact O-N 3.15Å
1153A88.4Confident85.2Confident0 Ų055.8 Ų55.80%026%0.255CS..Hα-helixtrans-58.3-43.4178.700000112.8M1144 D1149 N1155 D1156 L1157M1144-A1153 HydrophobicContact CG-CB 3.57Å; M1144-A1153 HydrophobicContact SD-CB 4.41Å; D1149-A1153 PolarHBondContact O-N 3.12Å; D1149-A1153 VanDerWaalsContact O-N 3.14Å; A1153-N1155 VanDerWaalsContact C-N 3.33Å; A1153-N1155 PolarHBondContact O-N 3.03Å; A1153-D1156 PolarHBondContact O-N 3.02Å; A1153-L1157 WeakPolarHBondContact O-CB 3.39Å; A1153-L1157 WeakPolarHBondContact O-CG 3.24Å; A1153-L1157 PolarHBondContact O-N 2.86Å
1154I87.3Confident84.6Confident10 Ų1054.5 Ų54.55%0.05125%0.25CC..Hα-helixtrans-61.3-40.2177.5-75.3164.3000112Y1150 K1152 L1157 Y1158 C1197 L1201Y1150-I1154 WeakPolarHBondContact O-CB 3.29Å; Y1150-I1154 WeakPolarHBondContact O-CD1 3.29Å; Y1150-I1154 WeakPolarHBondContact O-CG1 3.34Å; Y1150-I1154 PolarHBondContact O-N 3.1Å; K1152-I1154 VanDerWaalsContact C-N 3.35Å; K1152-I1154 PolarHBondContact O-N 3.29Å; I1154-L1157 PolarHBondContact O-N 2.93Å; I1154-Y1158 HydrophobicContact CG2-CD2 3.55Å; I1154-Y1158 HydrophobicContact CG2-CE2 3.37Å; I1154-Y1158 VanDerWaalsContact O-CD2 3.27Å; I1154-Y1158 WeakPolarHBondContact O-CD2 3.48Å; I1154-Y1158 PolarHBondContact O-N 3.28Å; I1154-C1197 HydrophobicContact CD1-CB 3.61Å; I1154-C1197 HydrophobicContact CG1-CB 3.35Å; I1154-L1201 HydrophobicContact CD1-CD1 3.49Å; I1154-L1201 VanDerWaalsContact CD1-CD1 3.49Å
1155N90Very high84.4Confident103 Ų10356.7 Ų56.755%0.55126%0.261SS*.Hα-helixtrans-64-46.3179.5-69.3-17000111.4H1151 K1152 A1153 Y1158 Q1159H1151-N1155 PolarHBondContact O-N 2.85Å; K1152-N1155 PolarHBondContact O-N 3.25Å; A1153-N1155 VanDerWaalsContact C-N 3.33Å; A1153-N1155 PolarHBondContact O-N 3.03Å; N1155-Y1158 PolarHBondContact O-N 2.59Å; N1155-Q1159 PolarHBondContact O-N 3.2Å; N1155-Q1159 VanDerWaalsContact O-N 3.17Å
1156D89.4Confident84.3Confident13 Ų1358.6 Ų58.67%0.0727%0.268CS..Hα-helixtrans-64.3-43177.2-77.2-9.7000111.9F1136 R1139 Y1143 K1152 A1153 Y1158 Q1159 A1160F1136-D1156 HydrophobicContact CB-CB 4.49Å; F1136-D1156 HydrophobicContact CD1-CB 3.94Å; R1139-D1156 IonicContact CZ-OD1 3.6Å; R1139-D1156 IonicContact CZ-OD2 3.13Å; R1139-D1156 IonicContact NE-OD1 2.75Å; R1139-D1156 IonicContact NE-OD2 2.65Å; R1139-D1156 PolarHBondContact NE-OD2 2.93Å; R1139-D1156 IonicContact NH2-OD1 3.19Å; R1139-D1156 PolarHBondContact NH2-OD1 3.26Å; R1139-D1156 IonicContact NH2-OD2 3.59Å; R1139-D1156 PolarHBondContact NH2-OD2 3.39Å; Y1143-D1156 WeakPolarHBondContact CE2-OD2 3.24Å; K1152-D1156 PolarHBondContact O-N 3.15Å; A1153-D1156 PolarHBondContact O-N 3.02Å; D1156-Y1158 VanDerWaalsContact C-N 3.33Å; D1156-Y1158 PolarHBondContact O-N 3.47Å; D1156-Q1159 PolarHBondContact O-N 3.49Å; D1156-A1160 PolarHBondContact O-N 3.4Å
1157L88.2Confident83.8Confident4 Ų455.3 Ų55.32%0.02125%0.254CS..Hα-helixtrans-63-37.4176.5-69.8167.8000112.1S1140 A1153 I1154 A1160 K1161 L1190 T1193 I1194S1140-L1157 WeakPolarHBondContact OG-CD2 3.28Å; A1153-L1157 WeakPolarHBondContact O-CB 3.39Å; A1153-L1157 WeakPolarHBondContact O-CG 3.24Å; A1153-L1157 PolarHBondContact O-N 2.86Å; I1154-L1157 PolarHBondContact O-N 2.93Å; L1157-A1160 PolarHBondContact O-N 3.4Å; L1157-K1161 PolarHBondContact O-N 2.79Å; L1157-L1190 HydrophobicContact CD2-CD1 3.8Å; L1157-L1190 HydrophobicContact CD2-CG 4.01Å; L1157-L1190 WeakPolarHBondContact O-CD2 3.36Å; L1157-T1193 WeakPolarHBondContact CD2-OG1 3.16Å; L1157-I1194 HydrophobicContact CB-CD1 3.96Å; L1157-I1194 HydrophobicContact CB-CG1 3.55Å; L1157-I1194 HydrophobicContact CD1-CG1 4.01Å; L1157-I1194 HydrophobicContact CG-CG1 4.36Å
1158Y88.7Confident83.1Confident89 Ų8953.7 Ų53.735%0.34925%0.251SS..Hα-helixtrans-66.9-36.1174-81.2-51.4000113I1154 N1155 D1156 K1161 M1162 I1194 H1198I1154-Y1158 HydrophobicContact CG2-CD2 3.55Å; I1154-Y1158 HydrophobicContact CG2-CE2 3.37Å; I1154-Y1158 VanDerWaalsContact O-CD2 3.27Å; I1154-Y1158 WeakPolarHBondContact O-CD2 3.48Å; I1154-Y1158 PolarHBondContact O-N 3.28Å; N1155-Y1158 PolarHBondContact O-N 2.59Å; D1156-Y1158 VanDerWaalsContact C-N 3.33Å; D1156-Y1158 PolarHBondContact O-N 3.47Å; Y1158-K1161 WeakPolarHBondContact O-CB 3.49Å; Y1158-K1161 PolarHBondContact O-N 3.14Å; Y1158-M1162 WeakPolarHBondContact O-CG 3.48Å; Y1158-M1162 PolarHBondContact O-N 3.11Å; Y1158-I1194 HydrophobicContact CD1-CD1 3.96Å; Y1158-I1194 HydrophobicContact CE1-CD1 4.07Å; Y1158-I1194 HydrophobicContact CE1-CG2 4.13Å; Y1158-H1198 PolarHBondContact OH-NE2 3.01Å
1159Q87.6Confident82.4Confident90 Ų9054 Ų5442%0.42126%0.256SS..Hα-helixtrans-65.5-46173.4-64.5-58.6-30.400111.5F1136 N1155 D1156 K1161 M1162 I1163F1136-Q1159 HydrophobicContact CD1-CB 3.95Å; F1136-Q1159 HydrophobicContact CD2-CB 4.03Å; F1136-Q1159 HydrophobicContact CE1-CB 3.64Å; F1136-Q1159 HydrophobicContact CE1-CG 3.85Å; F1136-Q1159 HydrophobicContact CE2-CB 3.75Å; F1136-Q1159 HydrophobicContact CG-CB 4.16Å; F1136-Q1159 HydrophobicContact CZ-CB 3.54Å; F1136-Q1159 HydrophobicContact CZ-CG 3.88Å; N1155-Q1159 PolarHBondContact O-N 3.2Å; N1155-Q1159 VanDerWaalsContact O-N 3.17Å; D1156-Q1159 PolarHBondContact O-N 3.49Å; Q1159-K1161 VanDerWaalsContact C-N 3.27Å; Q1159-K1161 PolarHBondContact O-N 3.25Å; Q1159-M1162 PolarHBondContact O-N 3.41Å; Q1159-M1162 VanDerWaalsContact O-N 3.12Å; Q1159-I1163 WeakPolarHBondContact O-CG1 3.21Å; Q1159-I1163 PolarHBondContact O-N 3.48Å
1160A84.2Confident81.2Confident0 Ų056.4 Ų56.40%028%0.276CS..Hα-helixtrans-56.8-39.3172.200000112.3L1133 F1136 I1137 D1156 L1157 I1163 M1164 L1190L1133-A1160 HydrophobicContact CD1-CB 3.67Å; L1133-A1160 WeakPolarHBondContact CD1-O 3.34Å; F1136-A1160 HydrophobicContact CB-CB 4.01Å; I1137-A1160 HydrophobicContact CD1-CB 4.42Å; I1137-A1160 HydrophobicContact CG1-CB 4.01Å; D1156-A1160 PolarHBondContact O-N 3.4Å; L1157-A1160 PolarHBondContact O-N 3.4Å; A1160-I1163 PolarHBondContact O-N 2.94Å; A1160-M1164 PolarHBondContact O-N 3Å; A1160-M1164 VanDerWaalsContact O-N 3.16Å; A1160-L1190 HydrophobicContact CB-CD1 3.53Å
1161K84.3Confident79.7Confident53 Ų5356.5 Ų56.523%0.2328%0.281CS..Hα-helixtrans-61.9-48.7172.2-155.6-152.8170.4-136.90112.1L1157 Y1158 Q1159 I1163 M1164 D1165 L1187 L1190 M1191L1157-K1161 PolarHBondContact O-N 2.79Å; Y1158-K1161 WeakPolarHBondContact O-CB 3.49Å; Y1158-K1161 PolarHBondContact O-N 3.14Å; Q1159-K1161 VanDerWaalsContact C-N 3.27Å; Q1159-K1161 PolarHBondContact O-N 3.25Å; K1161-I1163 PolarHBondContact O-N 3.33Å; K1161-M1164 PolarHBondContact O-N 3.13Å; K1161-M1164 VanDerWaalsContact O-N 3.12Å; K1161-D1165 WeakPolarHBondContact CE-OD1 3.49Å; K1161-D1165 WeakPolarHBondContact CE-OD2 3.42Å; K1161-D1165 IonicContact NZ-OD1 2.7Å; K1161-D1165 IonicContact NZ-OD2 2.73Å; K1161-D1165 PolarHBondContact NZ-OD2 2.7Å; K1161-D1165 WeakPolarHBondContact O-CB 3.32Å; K1161-D1165 PolarHBondContact O-N 2.87Å; K1161-L1187 HydrophobicContact CD-CD1 4.44Å; K1161-L1187 HydrophobicContact CG-CD1 3.69Å; K1161-L1190 HydrophobicContact CB-CD2 3.6Å; K1161-L1190 HydrophobicContact CG-CD2 3.86Å; K1161-M1191 HydrophobicContact CD-CG 4.49Å
1162M85.6Confident77.8Confident103 Ų10357.5 Ų57.551%0.50729%0.285SS..Hα-helixtrans-62.1-24.4179.5-73.2-178.567.500113.4Y1158 Q1159 K1166Y1158-M1162 WeakPolarHBondContact O-CG 3.48Å; Y1158-M1162 PolarHBondContact O-N 3.11Å; Q1159-M1162 PolarHBondContact O-N 3.41Å; Q1159-M1162 VanDerWaalsContact O-N 3.12Å; M1162-K1166 WeakPolarHBondContact O-CD 3.43Å; M1162-K1166 WeakPolarHBondContact O-CG 3.48Å
1163I79.3Confident75.8Confident17 Ų1760.2 Ų60.29%0.08731%0.305CS..Hα-helixtrans-74.1-49.7171.7-68.6166.1000110.3Q1132 L1133 F1136 Q1159 A1160 K1161 D1165 K1166 F1167Q1132-I1163 HydrophobicContact CB-CD1 4Å; L1133-I1163 HydrophobicContact CB-CG2 4.16Å; F1136-I1163 HydrophobicContact CD2-CD1 3.93Å; F1136-I1163 HydrophobicContact CE2-CD1 3.96Å; Q1159-I1163 WeakPolarHBondContact O-CG1 3.21Å; Q1159-I1163 PolarHBondContact O-N 3.48Å; A1160-I1163 PolarHBondContact O-N 2.94Å; K1161-I1163 PolarHBondContact O-N 3.33Å; I1163-D1165 PolarHBondContact O-N 2.88Å; I1163-K1166 WeakPolarHBondContact O-CB 3.39Å; I1163-K1166 PolarHBondContact O-N 3.38Å; I1163-K1166 VanDerWaalsContact O-N 3.13Å; I1163-F1167 HydrophobicContact CG2-CD2 3.9Å; I1163-F1167 HydrophobicContact CG2-CE2 3.54Å; I1163-F1167 VanDerWaalsContact O-CD2 3.3Å; I1163-F1167 WeakPolarHBondContact O-CD2 3.36Å; I1163-F1167 PolarHBondContact O-N 2.92Å
1164M75.7Confident73.7Confident4 Ų464.8 Ų64.82%0.0233%0.329CS..Hα-helixtrans-63.5-40.1177.1-69.4-175-67.300113.7L1133 A1160 K1161 K1166 F1167 M1168 L1186 L1187 L1190L1133-M1164 HydrophobicContact CD1-CE 4.43Å; L1133-M1164 HydrophobicContact CD1-CG 3.81Å; L1133-M1164 HydrophobicContact CD1-SD 4.26Å; L1133-M1164 HydrophobicContact CD2-CG 3.78Å; L1133-M1164 HydrophobicContact CD2-SD 4.35Å; L1133-M1164 HydrophobicContact CG-CG 4.48Å; A1160-M1164 PolarHBondContact O-N 3Å; A1160-M1164 VanDerWaalsContact O-N 3.16Å; K1161-M1164 PolarHBondContact O-N 3.13Å; K1161-M1164 VanDerWaalsContact O-N 3.12Å; M1164-K1166 PolarHBondContact O-N 3.41Å; M1164-F1167 PolarHBondContact O-N 3.32Å; M1164-F1167 VanDerWaalsContact O-N 3.14Å; M1164-M1168 PolarHBondContact O-N 3.31Å; M1164-L1186 HydrophobicContact SD-CB 3.9Å; M1164-L1186 HydrophobicContact SD-CD2 3.72Å; M1164-L1186 HydrophobicContact SD-CG 4.24Å; M1164-L1187 HydrophobicContact CB-CD1 4.45Å; M1164-L1187 HydrophobicContact CE-CB 4.4Å; M1164-L1187 HydrophobicContact CE-CD1 3.93Å; M1164-L1187 HydrophobicContact SD-CB 4.38Å; M1164-L1190 HydrophobicContact CE-CB 3.88Å; M1164-L1190 HydrophobicContact CE-CD1 3.78Å; M1164-L1190 HydrophobicContact CE-CD2 3.79Å; M1164-L1190 HydrophobicContact CE-CG 4.01Å
1165D78.1Confident71.6Confident49 Ų4972.8 Ų72.826%0.26237%0.366SS..Hα-helixtrans-61-25.6176.4-72.9-14.5000110.9K1161 I1163 N1169K1161-D1165 WeakPolarHBondContact CE-OD1 3.49Å; K1161-D1165 WeakPolarHBondContact CE-OD2 3.42Å; K1161-D1165 IonicContact NZ-OD1 2.7Å; K1161-D1165 IonicContact NZ-OD2 2.73Å; K1161-D1165 PolarHBondContact NZ-OD2 2.7Å; K1161-D1165 WeakPolarHBondContact O-CB 3.32Å; K1161-D1165 PolarHBondContact O-N 2.87Å; I1163-D1165 PolarHBondContact O-N 2.88Å; D1165-N1169 PolarHBondContact O-N 2.96Å; D1165-N1169 PolarHBondContact O-ND2 3.14Å
1166K76.1Confident69.4Low122 Ų12274.8 Ų74.853%0.5338%0.377SS..Hα-helixtrans-76.1-47.4170.7-69.7167.4-174.6176.80112.6M1162 I1163 M1164 M1168 N1169 S1170M1162-K1166 WeakPolarHBondContact O-CD 3.43Å; M1162-K1166 WeakPolarHBondContact O-CG 3.48Å; I1163-K1166 WeakPolarHBondContact O-CB 3.39Å; I1163-K1166 PolarHBondContact O-N 3.38Å; I1163-K1166 VanDerWaalsContact O-N 3.13Å; M1164-K1166 PolarHBondContact O-N 3.41Å; K1166-M1168 VanDerWaalsContact C-N 3.28Å; K1166-M1168 PolarHBondContact O-N 3.29Å; K1166-N1169 WeakPolarHBondContact O-CA 3.3Å; K1166-N1169 PolarHBondContact O-N 2.84Å; K1166-S1170 PolarHBondContact O-N 3.06Å; K1166-S1170 PolarHBondContact O-OG 2.87Å
1167F68.2Low67.7Low24 Ų2477.1 Ų77.111%0.10539%0.389CS..Hα-helixtrans-56.4-41.4177.9-79.1-72.4000112.2Y1128 I1163 M1164 S1170 T1171 I1183Y1128-F1167 VanDerWaalsContact O-CZ 3.31Å; Y1128-F1167 WeakPolarHBondContact O-CZ 3.29Å; I1163-F1167 HydrophobicContact CG2-CD2 3.9Å; I1163-F1167 HydrophobicContact CG2-CE2 3.54Å; I1163-F1167 VanDerWaalsContact O-CD2 3.3Å; I1163-F1167 WeakPolarHBondContact O-CD2 3.36Å; I1163-F1167 PolarHBondContact O-N 2.92Å; M1164-F1167 PolarHBondContact O-N 3.32Å; M1164-F1167 VanDerWaalsContact O-N 3.14Å; F1167-S1170 WeakPolarHBondContact CA-OG 3.39Å; F1167-S1170 PolarHBondContact O-N 3.3Å; F1167-S1170 PolarHBondContact O-OG 3.42Å; F1167-T1171 PolarHBondContact O-N 3.21Å; F1167-T1171 PolarHBondContact O-OG1 2.76Å; F1167-I1183 HydrophobicContact CB-CD1 4.13Å
1168M67.1Low65.9Low60 Ų6080.3 Ų80.330%0.29640%0.404SS..Hα-helixtrans-59-46.4171.5-78.6-63.6-6100112M1164 K1166 S1170 T1171 I1183M1164-M1168 PolarHBondContact O-N 3.31Å; K1166-M1168 VanDerWaalsContact C-N 3.28Å; K1166-M1168 PolarHBondContact O-N 3.29Å; M1168-S1170 VanDerWaalsContact C-N 3.26Å; M1168-S1170 PolarHBondContact O-N 2.87Å; M1168-T1171 WeakPolarHBondContact CA-OG1 3.4Å; M1168-T1171 PolarHBondContact O-N 3.35Å; M1168-T1171 VanDerWaalsContact O-N 3.11Å; M1168-T1171 PolarHBondContact O-OG1 2.67Å; M1168-T1171 VanDerWaalsContact O-OG1 3.05Å; M1168-I1183 HydrophobicContact CG-CG2 4.18Å; M1168-I1183 HydrophobicContact SD-CG2 3.37Å; M1168-I1183 WeakPolarHBondContact SD-CG2 3.42Å
1169N66Low64Low112 Ų11276.4 Ų76.460%0.59939%0.39SS*.Hα-helixtrans-69.4-19-179.5-77.1-53.4000114.5D1165 K1166 H1172D1165-N1169 PolarHBondContact O-N 2.96Å; D1165-N1169 PolarHBondContact O-ND2 3.14Å; K1166-N1169 WeakPolarHBondContact O-CA 3.3Å; K1166-N1169 PolarHBondContact O-N 2.84Å; N1169-H1172 PolarHBondContact O-CD2 3.35Å; N1169-H1172 PolarHBondContact OD1-NE2 3.1Å
1170S59.6Low62.6Low91 Ų9173.5 Ų73.564%0.63638%0.378SS*.THydrogen-bonded Turntrans-85.4-6.3170.945.30000114.9K1166 F1167 M1168K1166-S1170 PolarHBondContact O-N 3.06Å; K1166-S1170 PolarHBondContact O-OG 2.87Å; F1167-S1170 WeakPolarHBondContact CA-OG 3.39Å; F1167-S1170 PolarHBondContact O-N 3.3Å; F1167-S1170 PolarHBondContact O-OG 3.42Å; M1168-S1170 VanDerWaalsContact C-N 3.26Å; M1168-S1170 PolarHBondContact O-N 2.87Å
1171T54.5Low61.5Low41 Ų4178.4 Ų78.425%0.25240%0.399SS..  trans-115.88.8-171.444.80000114.8F1167 M1168 D1173 N1174F1167-T1171 PolarHBondContact O-N 3.21Å; F1167-T1171 PolarHBondContact O-OG1 2.76Å; M1168-T1171 WeakPolarHBondContact CA-OG1 3.4Å; M1168-T1171 PolarHBondContact O-N 3.35Å; M1168-T1171 VanDerWaalsContact O-N 3.11Å; M1168-T1171 PolarHBondContact O-OG1 2.67Å; M1168-T1171 VanDerWaalsContact O-OG1 3.05Å; T1171-D1173 PolarHBondContact O-N 2.71Å; T1171-N1174 PolarHBondContact O-N 2.76Å
1172H46.6Very low60.3Low124 Ų12477.6 Ų77.657%0.57440%0.399SS*.THydrogen-bonded Turntrans-58-15.7-175.3-79.9-54.4000116.7N1169N1169-H1172 PolarHBondContact O-CD2 3.35Å; N1169-H1172 PolarHBondContact OD1-NE2 3.1Å
1173D46.6Very low59.2Low156 Ų15674 Ų7483%0.83438%0.381SS*.THydrogen-bonded Turntrans-82.2-8.2-177.6-72.7-22.5000114.6T1171T1171-D1173 PolarHBondContact O-N 2.71Å
1174N44Very low58.6Low96 Ų9675 Ų7551%0.51339%0.389SS..  trans-139.879-176.6-74-77.1000114.1T1171 N1176 N1177T1171-N1174 PolarHBondContact O-N 2.76Å; N1174-N1176 PolarHBondContact O-N 2.81Å; N1174-N1177 PolarHBondContact O-N 3.45Å
1175E43.8Very low58.4Low177 Ų17779 Ų7983%0.82741%0.408SS*.THydrogen-bonded Turntrans-57.7-19.1-179.1-60.4-174131.300115.5
1176N44.9Very low58Low146 Ų14677.9 Ų77.978%0.78140%0.402SS*.THydrogen-bonded Turntrans-92.8-10-173.4-74.6-63000115.2N1174N1174-N1176 PolarHBondContact O-N 2.81Å
1177N52.5Low58.2Low61 Ų6173.3 Ų73.333%0.32638%0.383SS..  trans-65.2141.6-174.2-75.910.9000111.6N1174 T1179 T1180N1174-N1177 PolarHBondContact O-N 3.45Å; N1177-T1179 HydrophobicContact CB-CG2 4.2Å; N1177-T1179 PolarHBondContact O-N 3.4Å; N1177-T1180 HydrophobicContact CB-CG2 4.46Å; N1177-T1180 PolarHBondContact O-N 2.94Å; N1177-T1180 PolarHBondContact O-OG1 3.03Å
1178E51.4Low58.7Low72 Ų7273.3 Ų73.334%0.33638%0.384SS..Hα-helixtrans-66.1-23.6175.4-49.7-139.594.300111.8L254 F255 T1180 K1181 V1182L254-E1178 HydrophobicContact CD1-CB 3.31Å; L254-E1178 WeakPolarHBondContact CD1-O 3.38Å; F255-E1178 WeakPolarHBondContact CE2-OE2 3.36Å; E1178-T1180 VanDerWaalsContact C-N 3.28Å; E1178-T1180 PolarHBondContact O-N 2.97Å; E1178-K1181 HydrophobicContact CB-CD 4.5Å; E1178-K1181 WeakPolarHBondContact O-CA 3.37Å; E1178-K1181 VanDerWaalsContact O-CB 3.26Å; E1178-K1181 WeakPolarHBondContact O-CB 3.42Å; E1178-K1181 PolarHBondContact O-N 3.22Å; E1178-K1181 IonicContact OE1-NZ 3.93Å; E1178-K1181 PolarHBondContact OE1-NZ 2.86Å; E1178-V1182 PolarHBondContact O-N 2.92Å
1179T47.6Very low59.2Low7 Ų773.4 Ų73.44%0.04338%0.383CS..Hα-helixtrans-52.4-42.2173.6780000113S253 E982 N1177 K1181 V1182 I1183S253-T1179 WeakPolarHBondContact OG-CA 3.34Å; S253-T1179 WeakPolarHBondContact OG-CB 3.37Å; S253-T1179 VanDerWaalsContact OG-CG2 3.26Å; S253-T1179 WeakPolarHBondContact OG-CG2 3.45Å; E982-T1179 VanDerWaalsContact OE1-CG2 3.25Å; E982-T1179 WeakPolarHBondContact OE1-CG2 3.38Å; N1177-T1179 HydrophobicContact CB-CG2 4.2Å; N1177-T1179 PolarHBondContact O-N 3.4Å; T1179-K1181 PolarHBondContact O-N 3.2Å; T1179-V1182 WeakPolarHBondContact O-CG2 3.36Å; T1179-V1182 PolarHBondContact O-N 3.43Å; T1179-I1183 PolarHBondContact O-N 2.91Å
1180T58.6Low60Low28 Ų2868.3 Ų68.317%0.17236%0.355CS..Hα-helixtrans-65.7-31178.869.80000111.3N1177 E1178 I1183 S1184N1177-T1180 HydrophobicContact CB-CG2 4.46Å; N1177-T1180 PolarHBondContact O-N 2.94Å; N1177-T1180 PolarHBondContact O-OG1 3.03Å; E1178-T1180 VanDerWaalsContact C-N 3.28Å; E1178-T1180 PolarHBondContact O-N 2.97Å; T1180-I1183 WeakPolarHBondContact O-CG2 3.28Å; T1180-S1184 VanDerWaalsContact O-CB 3.3Å; T1180-S1184 WeakPolarHBondContact O-CB 3.34Å; T1180-S1184 PolarHBondContact O-N 3.22Å; T1180-S1184 PolarHBondContact O-OG 3.26Å
1181K60.3Low61.2Low104 Ų10464.7 Ų64.745%0.45233%0.329SS..Hα-helixtrans-67.7-47.1-179.2-54.9172.9-167.6155.90111.2E1178 T1179 S1184 E1185E1178-K1181 HydrophobicContact CB-CD 4.5Å; E1178-K1181 WeakPolarHBondContact O-CA 3.37Å; E1178-K1181 VanDerWaalsContact O-CB 3.26Å; E1178-K1181 WeakPolarHBondContact O-CB 3.42Å; E1178-K1181 PolarHBondContact O-N 3.22Å; E1178-K1181 IonicContact OE1-NZ 3.93Å; E1178-K1181 PolarHBondContact OE1-NZ 2.86Å; T1179-K1181 PolarHBondContact O-N 3.2Å; K1181-S1184 PolarHBondContact O-N 3.41Å; K1181-S1184 PolarHBondContact O-OG 3.08Å; K1181-E1185 PolarHBondContact O-N 3.48Å
1182V59Low62.7Low36 Ų3664.1 Ų64.122%0.21832%0.322CS..Hα-helixtrans-68.3-41.9176.6-94.30000113.6L254 E1178 T1179 S1184 E1185 L1186L254-V1182 HydrophobicContact CD1-CG2 4.15Å; L254-V1182 HydrophobicContact CD2-CB 4.35Å; L254-V1182 HydrophobicContact CD2-CG1 3.32Å; L254-V1182 HydrophobicContact CD2-CG2 4.25Å; L254-V1182 HydrophobicContact CG-CB 4.28Å; L254-V1182 HydrophobicContact CG-CG1 3.71Å; L254-V1182 HydrophobicContact CG-CG2 3.65Å; E1178-V1182 PolarHBondContact O-N 2.92Å; T1179-V1182 WeakPolarHBondContact O-CG2 3.36Å; T1179-V1182 PolarHBondContact O-N 3.43Å; V1182-S1184 PolarHBondContact O-N 2.99Å; V1182-E1185 CarbonylContact O-C 3.59Å; V1182-E1185 WeakPolarHBondContact O-CA 3.29Å; V1182-E1185 WeakPolarHBondContact O-CB 3.29Å; V1182-E1185 PolarHBondContact O-N 3.07Å; V1182-E1185 VanDerWaalsContact O-N 3.07Å; V1182-L1186 WeakPolarHBondContact O-CB 3.08Å; V1182-L1186 PolarHBondContact O-N 3.19Å
1183I62.7Low64.4Low27 Ų2758.4 Ų58.414%0.13830%0.296CS..Hα-helixtrans-66.1-33.2-178.8-55178.8000109.6F1167 M1168 T1179 T1180 L1186 L1187F1167-I1183 HydrophobicContact CB-CD1 4.13Å; M1168-I1183 HydrophobicContact CG-CG2 4.18Å; M1168-I1183 HydrophobicContact SD-CG2 3.37Å; M1168-I1183 WeakPolarHBondContact SD-CG2 3.42Å; T1179-I1183 PolarHBondContact O-N 2.91Å; T1180-I1183 WeakPolarHBondContact O-CG2 3.28Å; I1183-L1186 PolarHBondContact O-N 3.26Å; I1183-L1187 WeakPolarHBondContact O-CB 3.41Å; I1183-L1187 PolarHBondContact O-N 2.94Å
1184S68.5Low66.3Low37 Ų3751.1 Ų51.126%0.25926%0.257SS..Hα-helixtrans-64.2-46.9167.783.40000112.3T1180 K1181 V1182 L1186 L1187 I1188T1180-S1184 VanDerWaalsContact O-CB 3.3Å; T1180-S1184 WeakPolarHBondContact O-CB 3.34Å; T1180-S1184 PolarHBondContact O-N 3.22Å; T1180-S1184 PolarHBondContact O-OG 3.26Å; K1181-S1184 PolarHBondContact O-N 3.41Å; K1181-S1184 PolarHBondContact O-OG 3.08Å; V1182-S1184 PolarHBondContact O-N 2.99Å; S1184-L1186 VanDerWaalsContact C-N 3.29Å; S1184-L1186 PolarHBondContact O-N 2.88Å; S1184-L1187 PolarHBondContact O-N 3.16Å; S1184-I1188 WeakPolarHBondContact O-CB 3.22Å; S1184-I1188 WeakPolarHBondContact O-CD1 3.39Å; S1184-I1188 WeakPolarHBondContact O-CG1 3.1Å; S1184-I1188 PolarHBondContact O-N 3Å
1185E69.8Low68.3Low90 Ų9046.5 Ų46.542%0.42123%0.232SC..Hα-helixtrans-58.5-38.6175.4-90.1-158.1-148.100112.5K1181 V1182 K1189K1181-E1185 PolarHBondContact O-N 3.48Å; V1182-E1185 CarbonylContact O-C 3.59Å; V1182-E1185 WeakPolarHBondContact O-CA 3.29Å; V1182-E1185 WeakPolarHBondContact O-CB 3.29Å; V1182-E1185 PolarHBondContact O-N 3.07Å; V1182-E1185 VanDerWaalsContact O-N 3.07Å; E1185-K1189 WeakPolarHBondContact O-CB 2.98Å; E1185-K1189 WeakPolarHBondContact O-CD 3.02Å; E1185-K1189 WeakPolarHBondContact O-CE 3.09Å; E1185-K1189 WeakPolarHBondContact O-CG 3.42Å; E1185-K1189 PolarHBondContact O-N 2.76Å; E1185-K1189 VanDerWaalsContact O-N 3.12Å; E1185-K1189 WeakPolarHBondContact OE2-CE 3.19Å; E1185-K1189 IonicContact OE2-NZ 2.75Å; E1185-K1189 PolarHBondContact OE2-NZ 3.39Å
1186L70.9Confident70.2Confident24 Ų2439.2 Ų39.213%0.12620%0.199CC..Hα-helixtrans-72.9-42178.7-143.891.1000111.2I169 L1133 Y1134 I1137 M1164 V1182 I1183 S1184 I1188 K1189 L1190I169-L1186 HydrophobicContact CD1-CD1 3.81Å; I169-L1186 HydrophobicContact CD1-CD2 4.29Å; I169-L1186 HydrophobicContact CD1-CG 3.94Å; I169-L1186 HydrophobicContact CG1-CD1 4.22Å; L1133-L1186 HydrophobicContact CD2-CD2 3.99Å; L1133-L1186 HydrophobicContact CG-CD2 4.47Å; Y1134-L1186 HydrophobicContact CE1-CD2 4.42Å; I1137-L1186 HydrophobicContact CD1-CD2 4.17Å; M1164-L1186 HydrophobicContact SD-CB 3.9Å; M1164-L1186 HydrophobicContact SD-CD2 3.72Å; M1164-L1186 HydrophobicContact SD-CG 4.24Å; V1182-L1186 WeakPolarHBondContact O-CB 3.08Å; V1182-L1186 PolarHBondContact O-N 3.19Å; I1183-L1186 PolarHBondContact O-N 3.26Å; S1184-L1186 VanDerWaalsContact C-N 3.29Å; S1184-L1186 PolarHBondContact O-N 2.88Å; L1186-I1188 VanDerWaalsContact C-N 3.35Å; L1186-I1188 PolarHBondContact O-N 3.24Å; L1186-K1189 PolarHBondContact O-N 2.81Å; L1186-L1190 VanDerWaalsContact O-CB 3.29Å; L1186-L1190 WeakPolarHBondContact O-CB 3.36Å; L1186-L1190 PolarHBondContact O-N 3.43Å
1187L78.9Confident72.1Confident27 Ų2732.2 Ų32.214%0.14116%0.161CC..Hα-helixtrans-61-41.7175-175.564.9000111.8K1161 M1164 I1183 S1184 L1190 M1191K1161-L1187 HydrophobicContact CD-CD1 4.44Å; K1161-L1187 HydrophobicContact CG-CD1 3.69Å; M1164-L1187 HydrophobicContact CB-CD1 4.45Å; M1164-L1187 HydrophobicContact CE-CB 4.4Å; M1164-L1187 HydrophobicContact CE-CD1 3.93Å; M1164-L1187 HydrophobicContact SD-CB 4.38Å; I1183-L1187 WeakPolarHBondContact O-CB 3.41Å; I1183-L1187 PolarHBondContact O-N 2.94Å; S1184-L1187 PolarHBondContact O-N 3.16Å; L1187-L1190 PolarHBondContact O-N 3.47Å; L1187-M1191 HydrophobicContact CD1-SD 4.35Å; L1187-M1191 HydrophobicContact CG-SD 4.29Å; L1187-M1191 WeakPolarHBondContact O-CB 3.4Å; L1187-M1191 PolarHBondContact O-N 3.4Å
1188I79.5Confident73.7Confident24 Ų2429.7 Ų29.712%0.12315%0.148CC..Hα-helixtrans-61.4-50173.9-65.9156.2000110.4S1184 L1186 L1190 M1191 Y1192 L1214 Q1218 F1221S1184-I1188 WeakPolarHBondContact O-CB 3.22Å; S1184-I1188 WeakPolarHBondContact O-CD1 3.39Å; S1184-I1188 WeakPolarHBondContact O-CG1 3.1Å; S1184-I1188 PolarHBondContact O-N 3Å; L1186-I1188 VanDerWaalsContact C-N 3.35Å; L1186-I1188 PolarHBondContact O-N 3.24Å; I1188-L1190 VanDerWaalsContact C-N 3.28Å; I1188-L1190 PolarHBondContact O-N 3.28Å; I1188-M1191 PolarHBondContact O-N 3.39Å; I1188-Y1192 VanDerWaalsContact O-CB 3.24Å; I1188-Y1192 WeakPolarHBondContact O-CB 3.07Å; I1188-Y1192 PolarHBondContact O-N 3.44Å; I1188-L1214 HydrophobicContact CG2-CD2 4.17Å; I1188-Q1218 HydrophobicContact CD1-CB 4.49Å; I1188-Q1218 HydrophobicContact CD1-CG 3.53Å; I1188-Q1218 HydrophobicContact CG1-CG 3.86Å; I1188-F1221 HydrophobicContact CG2-CB 4.41Å; I1188-F1221 HydrophobicContact CG2-CD1 3.72Å; I1188-F1221 HydrophobicContact CG2-CD2 3.73Å; I1188-F1221 HydrophobicContact CG2-CE1 3.82Å; I1188-F1221 HydrophobicContact CG2-CE2 3.83Å; I1188-F1221 HydrophobicContact CG2-CG 3.68Å; I1188-F1221 HydrophobicContact CG2-CZ 3.88Å
1189K77.5Confident75.3Confident62 Ų6227.4 Ų27.427%0.2714%0.137SC..Hα-helixtrans-59.5-38.3178.5-72.6160.9-161.5164.70111.9L168 E1185 L1186 Y1192 T1193L168-K1189 HydrophobicContact CD2-CB 3.86Å; E1185-K1189 WeakPolarHBondContact O-CB 2.98Å; E1185-K1189 WeakPolarHBondContact O-CD 3.02Å; E1185-K1189 WeakPolarHBondContact O-CE 3.09Å; E1185-K1189 WeakPolarHBondContact O-CG 3.42Å; E1185-K1189 PolarHBondContact O-N 2.76Å; E1185-K1189 VanDerWaalsContact O-N 3.12Å; E1185-K1189 WeakPolarHBondContact OE2-CE 3.19Å; E1185-K1189 IonicContact OE2-NZ 2.75Å; E1185-K1189 PolarHBondContact OE2-NZ 3.39Å; L1186-K1189 PolarHBondContact O-N 2.81Å; K1189-Y1192 WeakPolarHBondContact O-CB 3.5Å; K1189-T1193 PolarHBondContact O-N 3.23Å; K1189-T1193 VanDerWaalsContact O-N 3.15Å
1190L82.7Confident76.8Confident4 Ų432.3 Ų32.32%0.02116%0.155CC..Hα-helixtrans-79.9-38.9-178.5-179.6135.9000113.5I1137 L1157 A1160 K1161 M1164 L1186 L1187 I1188 Y1192 T1193 I1194I1137-L1190 HydrophobicContact CD1-CD1 4.16Å; I1137-L1190 HydrophobicContact CG1-CD1 4.04Å; L1157-L1190 HydrophobicContact CD2-CD1 3.8Å; L1157-L1190 HydrophobicContact CD2-CG 4.01Å; L1157-L1190 WeakPolarHBondContact O-CD2 3.36Å; A1160-L1190 HydrophobicContact CB-CD1 3.53Å; K1161-L1190 HydrophobicContact CB-CD2 3.6Å; K1161-L1190 HydrophobicContact CG-CD2 3.86Å; M1164-L1190 HydrophobicContact CE-CB 3.88Å; M1164-L1190 HydrophobicContact CE-CD1 3.78Å; M1164-L1190 HydrophobicContact CE-CD2 3.79Å; M1164-L1190 HydrophobicContact CE-CG 4.01Å; L1186-L1190 VanDerWaalsContact O-CB 3.29Å; L1186-L1190 WeakPolarHBondContact O-CB 3.36Å; L1186-L1190 PolarHBondContact O-N 3.43Å; L1187-L1190 PolarHBondContact O-N 3.47Å; I1188-L1190 VanDerWaalsContact C-N 3.28Å; I1188-L1190 PolarHBondContact O-N 3.28Å; L1190-Y1192 PolarHBondContact O-N 3.3Å; L1190-T1193 PolarHBondContact O-N 3.05Å; L1190-T1193 PolarHBondContact O-OG1 3.24Å; L1190-I1194 HydrophobicContact CD2-CD1 3.71Å; L1190-I1194 HydrophobicContact CG-CD1 4.48Å; L1190-I1194 WeakPolarHBondContact O-CG1 3.09Å; L1190-I1194 PolarHBondContact O-N 3.31Å
1191M84.8Confident77.9Confident16 Ų1632.4 Ų32.48%0.07915%0.154CC..Hα-helixtrans-64-32.6170.8-79.4178.256.300110.8K1161 L1187 I1188 I1194 G1195 L1214K1161-M1191 HydrophobicContact CD-CG 4.49Å; L1187-M1191 HydrophobicContact CD1-SD 4.35Å; L1187-M1191 HydrophobicContact CG-SD 4.29Å; L1187-M1191 WeakPolarHBondContact O-CB 3.4Å; L1187-M1191 PolarHBondContact O-N 3.4Å; I1188-M1191 PolarHBondContact O-N 3.39Å; M1191-I1194 PolarHBondContact O-N 2.88Å; M1191-G1195 PolarHBondContact O-N 3.09Å; M1191-L1214 HydrophobicContact CB-CD1 3.93Å; M1191-L1214 HydrophobicContact CB-CD2 3.8Å; M1191-L1214 HydrophobicContact CB-CG 3.97Å; M1191-L1214 HydrophobicContact CE-CD2 4.37Å; M1191-L1214 HydrophobicContact CE-CG 4.18Å
1192Y85.4Confident78.8Confident29 Ų2931.3 Ų31.311%0.11415%0.15CC..Hα-helixtrans-66.9-40.7175.7169.2-97000112.5P166 I1188 K1189 L1190 G1195 I1196 F1221 K1223 A1227P166-Y1192 HydrophobicContact CG-CE1 3.86Å; I1188-Y1192 VanDerWaalsContact O-CB 3.24Å; I1188-Y1192 WeakPolarHBondContact O-CB 3.07Å; I1188-Y1192 PolarHBondContact O-N 3.44Å; K1189-Y1192 WeakPolarHBondContact O-CB 3.5Å; L1190-Y1192 PolarHBondContact O-N 3.3Å; Y1192-G1195 PolarHBondContact O-N 2.95Å; Y1192-I1196 HydrophobicContact CD1-CD1 4.07Å; Y1192-I1196 HydrophobicContact CD2-CD1 4.43Å; Y1192-I1196 HydrophobicContact CE1-CD1 3.53Å; Y1192-I1196 HydrophobicContact CE2-CD1 3.95Å; Y1192-I1196 HydrophobicContact CG-CD1 4.5Å; Y1192-I1196 VanDerWaalsContact CZ-CD1 3.48Å; Y1192-I1196 PolarHBondContact O-N 2.62Å; Y1192-I1196 VanDerWaalsContact O-N 3.11Å; Y1192-F1221 AromaticContact CD2-CE1 3.67Å; Y1192-F1221 HydrophobicContact CD2-CE1 3.67Å; Y1192-F1221 AromaticContact CD2-CZ 3.94Å; Y1192-F1221 HydrophobicContact CD2-CZ 3.94Å; Y1192-F1221 HydrophobicContact CE2-CE1 4.39Å; Y1192-F1221 HydrophobicContact CE2-CZ 4.46Å; Y1192-F1221 AromaticContact CG-CE1 3.96Å; Y1192-F1221 HydrophobicContact CG-CE1 3.96Å; Y1192-F1221 AromaticContact CG-CZ 3.96Å; Y1192-F1221 HydrophobicContact CG-CZ 3.96Å; Y1192-K1223 HydrophobicContact CE2-CB 3.92Å; Y1192-K1223 WeakPolarHBondContact CE2-O 3.38Å; Y1192-A1227 HydrophobicContact CD2-CB 4.3Å; Y1192-A1227 HydrophobicContact CE2-CB 3.78Å
1193T82.9Confident80Confident4 Ų432.3 Ų32.33%0.02515%0.154CC..Hα-helixtrans-65.1-42.817251.60000112L165 L168 L1157 K1189 L1190 G1195 I1196 C1197L165-T1193 HydrophobicContact CD2-CG2 4.27Å; L168-T1193 HydrophobicContact CD1-CG2 3.27Å; L168-T1193 HydrophobicContact CD2-CG2 3.86Å; L168-T1193 HydrophobicContact CG-CG2 4.19Å; L1157-T1193 WeakPolarHBondContact CD2-OG1 3.16Å; K1189-T1193 PolarHBondContact O-N 3.23Å; K1189-T1193 VanDerWaalsContact O-N 3.15Å; L1190-T1193 PolarHBondContact O-N 3.05Å; L1190-T1193 PolarHBondContact O-OG1 3.24Å; T1193-G1195 VanDerWaalsContact C-N 3.31Å; T1193-G1195 PolarHBondContact O-N 3.21Å; T1193-I1196 PolarHBondContact O-N 2.89Å; T1193-C1197 PolarHBondContact O-N 3.05Å; T1193-C1197 PolarHBondContact O-SG 3.49Å
1194I86.8Confident80.9Confident2 Ų232.4 Ų32.41%0.0115%0.152CC..Hα-helixtrans-56.7-46.8175.7-66.6168.2000110.3L1157 Y1158 L1190 M1191 I1196 C1197 H1198 I1210L1157-I1194 HydrophobicContact CB-CD1 3.96Å; L1157-I1194 HydrophobicContact CB-CG1 3.55Å; L1157-I1194 HydrophobicContact CD1-CG1 4.01Å; L1157-I1194 HydrophobicContact CG-CG1 4.36Å; Y1158-I1194 HydrophobicContact CD1-CD1 3.96Å; Y1158-I1194 HydrophobicContact CE1-CD1 4.07Å; Y1158-I1194 HydrophobicContact CE1-CG2 4.13Å; L1190-I1194 HydrophobicContact CD2-CD1 3.71Å; L1190-I1194 HydrophobicContact CG-CD1 4.48Å; L1190-I1194 WeakPolarHBondContact O-CG1 3.09Å; L1190-I1194 PolarHBondContact O-N 3.31Å; M1191-I1194 PolarHBondContact O-N 2.88Å; I1194-I1196 PolarHBondContact O-N 3.35Å; I1194-C1197 PolarHBondContact O-N 3.33Å; I1194-C1197 VanDerWaalsContact O-N 3.17Å; I1194-H1198 PolarHBondContact O-CD2 3.26Å; I1194-H1198 PolarHBondContact O-N 3.28Å; I1194-I1210 HydrophobicContact CG2-CD1 3.79Å
1195G85.5Confident81.7Confident0 Ų034.5 Ų34.50%016%0.163CC..Hα-helixtrans-55.8-48.1176.100000113.1M1191 Y1192 T1193 C1197 H1198 Q1199 A1207M1191-G1195 PolarHBondContact O-N 3.09Å; Y1192-G1195 PolarHBondContact O-N 2.95Å; T1193-G1195 VanDerWaalsContact C-N 3.31Å; T1193-G1195 PolarHBondContact O-N 3.21Å; G1195-C1197 PolarHBondContact O-N 2.78Å; G1195-H1198 PolarHBondContact O-N 3.5Å; G1195-Q1199 PolarHBondContact O-N 2.79Å; G1195-A1207 WeakPolarHBondContact O-CB 3.29Å
1196I84.4Confident82.5Confident23 Ų2335 Ų3512%0.11817%0.165CC..Hα-helixtrans-62.8-38.8175.7-70.7170.7000111.8L165 Y1192 T1193 I1194 Q1199 R1200L165-I1196 HydrophobicContact CD2-CG2 4.42Å; Y1192-I1196 HydrophobicContact CD1-CD1 4.07Å; Y1192-I1196 HydrophobicContact CD2-CD1 4.43Å; Y1192-I1196 HydrophobicContact CE1-CD1 3.53Å; Y1192-I1196 HydrophobicContact CE2-CD1 3.95Å; Y1192-I1196 HydrophobicContact CG-CD1 4.5Å; Y1192-I1196 VanDerWaalsContact CZ-CD1 3.48Å; Y1192-I1196 PolarHBondContact O-N 2.62Å; Y1192-I1196 VanDerWaalsContact O-N 3.11Å; T1193-I1196 PolarHBondContact O-N 2.89Å; I1194-I1196 PolarHBondContact O-N 3.35Å; I1196-Q1199 WeakPolarHBondContact O-CB 3.46Å; I1196-Q1199 PolarHBondContact O-N 3.45Å; I1196-R1200 HydrophobicContact CG2-CG 4.33Å; I1196-R1200 WeakPolarHBondContact O-CG 2.99Å; I1196-R1200 PolarHBondContact O-N 3.34Å
1197C84.6Confident83.3Confident0 Ų033.9 Ų33.90%016%0.159CC..Hα-helixtrans-65.2-40.3178.5-63.80000112M1144 Y1150 I1154 T1193 I1194 G1195 Q1199 R1200 L1201M1144-C1197 PolarHBondContact SD-SG 3.38Å; Y1150-C1197 HydrophobicContact CD1-CB 4.5Å; I1154-C1197 HydrophobicContact CD1-CB 3.61Å; I1154-C1197 HydrophobicContact CG1-CB 3.35Å; T1193-C1197 PolarHBondContact O-N 3.05Å; T1193-C1197 PolarHBondContact O-SG 3.49Å; I1194-C1197 PolarHBondContact O-N 3.33Å; I1194-C1197 VanDerWaalsContact O-N 3.17Å; G1195-C1197 PolarHBondContact O-N 2.78Å; C1197-Q1199 VanDerWaalsContact C-N 3.35Å; C1197-R1200 PolarHBondContact O-N 2.73Å; C1197-L1201 WeakPolarHBondContact O-CG 3.45Å; C1197-L1201 PolarHBondContact O-N 2.86Å; C1197-L1201 VanDerWaalsContact O-N 3.09Å
1198H86.5Confident83.6Confident8 Ų833.1 Ų33.14%0.03716%0.157CC..Hα-helixtrans-65.8-37.3173.2-71.5-71.4000111.8Y1158 I1194 G1195 L1201 E1202 M1203 K1206 A1207Y1158-H1198 PolarHBondContact OH-NE2 3.01Å; I1194-H1198 PolarHBondContact O-CD2 3.26Å; I1194-H1198 PolarHBondContact O-N 3.28Å; G1195-H1198 PolarHBondContact O-N 3.5Å; H1198-L1201 CarbonylContact O-C 3.45Å; H1198-L1201 PolarHBondContact O-N 3.25Å; H1198-E1202 PolarHBondContact O-N 3.33Å; H1198-M1203 HydrophobicContact CB-CB 4.19Å; H1198-M1203 PolarHBondContact O-N 2.78Å; H1198-K1206 HydrophobicContact CB-CB 4.4Å; H1198-A1207 HydrophobicContact CB-CB 3.72Å
1199Q84.4Confident84Confident23 Ų2338.6 Ų38.611%0.10718%0.182CC..Hα-helixtrans-62.1-42.1174.4-174.1-176.13.700111.2G1195 I1196 C1197 L1201 E1202 Y1204 A1207 C1231 D1234G1195-Q1199 PolarHBondContact O-N 2.79Å; I1196-Q1199 WeakPolarHBondContact O-CB 3.46Å; I1196-Q1199 PolarHBondContact O-N 3.45Å; C1197-Q1199 VanDerWaalsContact C-N 3.35Å; Q1199-L1201 VanDerWaalsContact C-N 3.27Å; Q1199-L1201 PolarHBondContact O-N 3.34Å; Q1199-E1202 PolarHBondContact O-N 3.38Å; Q1199-E1202 VanDerWaalsContact O-N 3.16Å; Q1199-Y1204 HydrophobicContact CG-CD1 4.48Å; Q1199-Y1204 HydrophobicContact CG-CE1 4.28Å; Q1199-A1207 HydrophobicContact CB-CB 4.06Å; Q1199-C1231 HydrophobicContact CG-CB 4.45Å; Q1199-D1234 PolarHBondContact NE2-OD2 2.92Å
1200R79.7Confident84.5Confident110 Ų11037.1 Ų37.142%0.41518%0.177SC..Hα-helixtrans-71.3-15.1175.2-67.9-56.8-163.2-175.57.7114.7Y1150 I1196 C1197Y1150-R1200 HydrophobicContact CD1-CB 3.96Å; Y1150-R1200 HydrophobicContact CD1-CG 4.4Å; Y1150-R1200 HydrophobicContact CD2-CB 3.83Å; Y1150-R1200 HydrophobicContact CE1-CB 3.84Å; Y1150-R1200 HydrophobicContact CE1-CG 3.89Å; Y1150-R1200 HydrophobicContact CE2-CB 3.72Å; Y1150-R1200 HydrophobicContact CE2-CG 4.35Å; Y1150-R1200 HydrophobicContact CG-CB 3.96Å; I1196-R1200 HydrophobicContact CG2-CG 4.33Å; I1196-R1200 WeakPolarHBondContact O-CG 2.99Å; I1196-R1200 PolarHBondContact O-N 3.34Å; C1197-R1200 PolarHBondContact O-N 2.73Å
1201L81.8Confident84.8Confident30 Ų3036.9 Ų36.916%0.15718%0.176CC..THydrogen-bonded Turntrans-97.111.4170.8-70.9178.4000113.2Y1150 I1154 C1197 H1198 Q1199 M1203Y1150-L1201 HydrophobicContact CD2-CD2 4.37Å; I1154-L1201 HydrophobicContact CD1-CD1 3.49Å; I1154-L1201 VanDerWaalsContact CD1-CD1 3.49Å; C1197-L1201 WeakPolarHBondContact O-CG 3.45Å; C1197-L1201 PolarHBondContact O-N 2.86Å; C1197-L1201 VanDerWaalsContact O-N 3.09Å; H1198-L1201 CarbonylContact O-C 3.45Å; H1198-L1201 PolarHBondContact O-N 3.25Å; Q1199-L1201 VanDerWaalsContact C-N 3.27Å; Q1199-L1201 PolarHBondContact O-N 3.34Å; L1201-M1203 HydrophobicContact CB-CE 4.37Å; L1201-M1203 HydrophobicContact CB-CG 4.04Å; L1201-M1203 HydrophobicContact CD1-CE 4.38Å; L1201-M1203 PolarHBondContact O-N 2.67Å
1202E79.1Confident85Confident81 Ų8140 Ų4038%0.37919%0.19SC..THydrogen-bonded Turntrans59.516-177.5-57162.2161.700112.9Q146 H1198 Q1199 Y1204 Y1238Q146-E1202 PolarHBondContact NE2-OE2 3.41Å; H1198-E1202 PolarHBondContact O-N 3.33Å; Q1199-E1202 PolarHBondContact O-N 3.38Å; Q1199-E1202 VanDerWaalsContact O-N 3.16Å; E1202-Y1204 HydrophobicContact CB-CD2 4.42Å; E1202-Y1204 HydrophobicContact CB-CE2 3.73Å; E1202-Y1204 HydrophobicContact CG-CE2 4.2Å; E1202-Y1204 WeakPolarHBondContact O-CD2 3.13Å; E1202-Y1204 PolarHBondContact O-N 3.5Å; E1202-Y1238 HydrophobicContact CB-CD2 4.49Å; E1202-Y1238 HydrophobicContact CB-CE2 4.07Å; E1202-Y1238 HydrophobicContact CG-CD2 4.42Å; E1202-Y1238 HydrophobicContact CG-CE2 4.12Å
1203M83.2Confident85.1Confident58 Ų5843.4 Ų43.429%0.28621%0.207SC..  trans-85.549.2177-60.4-162.3-170.100110.8H1198 L1201 T1205 K1206 A1207H1198-M1203 HydrophobicContact CB-CB 4.19Å; H1198-M1203 PolarHBondContact O-N 2.78Å; L1201-M1203 HydrophobicContact CB-CE 4.37Å; L1201-M1203 HydrophobicContact CB-CG 4.04Å; L1201-M1203 HydrophobicContact CD1-CE 4.38Å; L1201-M1203 PolarHBondContact O-N 2.67Å; M1203-T1205 PolarHBondContact O-N 3.37Å; M1203-T1205 VanDerWaalsContact O-N 3.08Å; M1203-K1206 HydrophobicContact CB-CB 4.47Å; M1203-K1206 HydrophobicContact CB-CD 4.47Å; M1203-K1206 PolarHBondContact O-N 3.17Å; M1203-K1206 HydrophobicContact SD-CD 4.2Å; M1203-A1207 PolarHBondContact O-N 3.24Å
1204Y83.1Confident85.3Confident29 Ų2943.3 Ų43.311%0.11421%0.206CC..Hα-helixtrans-53.7-32.5-170.8-59.4-69.8000114.5Q1199 E1202 A1207 G1208 D1234 Y1235 Y1238Q1199-Y1204 HydrophobicContact CG-CD1 4.48Å; Q1199-Y1204 HydrophobicContact CG-CE1 4.28Å; E1202-Y1204 HydrophobicContact CB-CD2 4.42Å; E1202-Y1204 HydrophobicContact CB-CE2 3.73Å; E1202-Y1204 HydrophobicContact CG-CE2 4.2Å; E1202-Y1204 WeakPolarHBondContact O-CD2 3.13Å; E1202-Y1204 PolarHBondContact O-N 3.5Å; Y1204-A1207 PolarHBondContact O-N 2.77Å; Y1204-G1208 PolarHBondContact O-N 3.3Å; Y1204-D1234 HydrophobicContact CD1-CB 4Å; Y1204-D1234 HydrophobicContact CE1-CB 3.34Å; Y1204-Y1235 AromaticContact CD2-CD2 3.89Å; Y1204-Y1235 HydrophobicContact CD2-CD2 3.89Å; Y1204-Y1235 AromaticContact CG-CD2 3.88Å; Y1204-Y1235 HydrophobicContact CG-CD2 3.88Å; Y1204-Y1235 HydrophobicContact CG-CG 4.37Å; Y1204-Y1238 HydrophobicContact CD2-CD1 4.4Å; Y1204-Y1238 HydrophobicContact CD2-CG 4.28Å; Y1204-Y1238 HydrophobicContact CE2-CD1 4.13Å; Y1204-Y1238 AromaticContact CE2-CD2 3.87Å; Y1204-Y1238 HydrophobicContact CE2-CD2 3.87Å; Y1204-Y1238 AromaticContact CE2-CG 3.61Å; Y1204-Y1238 HydrophobicContact CE2-CG 3.61Å
1205T84.1Confident85.2Confident80 Ų8044 Ų4449%0.49121%0.21SC..Hα-helixtrans-65.2-40.3176.2530000112.4M1203 Q1209 Y1235M1203-T1205 PolarHBondContact O-N 3.37Å; M1203-T1205 VanDerWaalsContact O-N 3.08Å; T1205-Q1209 WeakPolarHBondContact O-CB 3.48Å; T1205-Q1209 WeakPolarHBondContact O-CG 3.24Å; T1205-Q1209 PolarHBondContact O-N 3.37Å; T1205-Q1209 VanDerWaalsContact O-N 3.17Å; T1205-Y1235 HydrophobicContact CG2-CE2 4.12Å
1206K86.4Confident85.2Confident102 Ų10249.4 Ų49.444%0.44324%0.238SC..Hα-helixtrans-74.7-42174.8-65.5179.5-177.9171.40111.6H1198 M1203 Q1209 I1210H1198-K1206 HydrophobicContact CB-CB 4.4Å; M1203-K1206 HydrophobicContact CB-CB 4.47Å; M1203-K1206 HydrophobicContact CB-CD 4.47Å; M1203-K1206 PolarHBondContact O-N 3.17Å; M1203-K1206 HydrophobicContact SD-CD 4.2Å; K1206-Q1209 PolarHBondContact O-N 2.82Å; K1206-I1210 WeakPolarHBondContact O-CG1 3.08Å; K1206-I1210 PolarHBondContact O-N 2.91Å
1207A87.3Confident85Confident0 Ų052.9 Ų52.90%025%0.254CS..Hα-helixtrans-58.5-50.817600000110.9G1195 H1198 Q1199 M1203 Y1204 Q1209 I1210 L1211 C1231G1195-A1207 WeakPolarHBondContact O-CB 3.29Å; H1198-A1207 HydrophobicContact CB-CB 3.72Å; Q1199-A1207 HydrophobicContact CB-CB 4.06Å; M1203-A1207 PolarHBondContact O-N 3.24Å; Y1204-A1207 PolarHBondContact O-N 2.77Å; A1207-Q1209 PolarHBondContact O-N 3.3Å; A1207-I1210 PolarHBondContact O-N 2.77Å; A1207-L1211 HydrophobicContact CB-CD1 4.49Å; A1207-L1211 VanDerWaalsContact O-CB 3.31Å; A1207-L1211 WeakPolarHBondContact O-CB 3.42Å; A1207-L1211 WeakPolarHBondContact O-CD1 3.41Å; A1207-L1211 WeakPolarHBondContact O-CG 3.48Å; A1207-L1211 PolarHBondContact O-N 2.9Å; A1207-C1231 VanDerWaalsContact CB-SG 3.51Å
1208G86.1Confident84.8Confident11 Ų1156 Ų5611%0.11327%0.269CS..Hα-helixtrans-57.9-44.317600000112.9Y1204 I1210 H1212Y1204-G1208 PolarHBondContact O-N 3.3Å; G1208-I1210 PolarHBondContact O-N 2.94Å; G1208-H1212 WeakPolarHBondContact O-CB 3.16Å; G1208-H1212 PolarHBondContact O-N 3.3Å
1209Q88.4Confident84.5Confident138 Ų13858.7 Ų58.765%0.64529%0.286SS*.Hα-helixtrans-59.8-46.1175.2-77.6169.8-600112.8T1205 K1206 A1207 H1213T1205-Q1209 WeakPolarHBondContact O-CB 3.48Å; T1205-Q1209 WeakPolarHBondContact O-CG 3.24Å; T1205-Q1209 PolarHBondContact O-N 3.37Å; T1205-Q1209 VanDerWaalsContact O-N 3.17Å; K1206-Q1209 PolarHBondContact O-N 2.82Å; A1207-Q1209 PolarHBondContact O-N 3.3Å; Q1209-H1213 WeakPolarHBondContact O-CB 3.14Å; Q1209-H1213 PolarHBondContact O-N 3.04Å
1210I87.8Confident84.4Confident31 Ų3163.4 Ų63.416%0.15931%0.312CS..Hα-helixtrans-71.4-41.1-177.3-66.6169.9000111.2I1194 K1206 A1207 G1208 H1213 L1214I1194-I1210 HydrophobicContact CG2-CD1 3.79Å; K1206-I1210 WeakPolarHBondContact O-CG1 3.08Å; K1206-I1210 PolarHBondContact O-N 2.91Å; A1207-I1210 PolarHBondContact O-N 2.77Å; G1208-I1210 PolarHBondContact O-N 2.94Å; I1210-H1213 PolarHBondContact O-N 3.41Å; I1210-L1214 PolarHBondContact O-N 2.94Å
1211L89.1Confident84.5Confident0 Ų060.2 Ų60.20%030%0.302CS..Hα-helixtrans-70.2-36.3177.6-66.1167.5000111.7A1207 L1214 T1215 A1227 Y1228 C1231A1207-L1211 HydrophobicContact CB-CD1 4.49Å; A1207-L1211 VanDerWaalsContact O-CB 3.31Å; A1207-L1211 WeakPolarHBondContact O-CB 3.42Å; A1207-L1211 WeakPolarHBondContact O-CD1 3.41Å; A1207-L1211 WeakPolarHBondContact O-CG 3.48Å; A1207-L1211 PolarHBondContact O-N 2.9Å; L1211-L1214 HydrophobicContact CD2-CD1 4.25Å; L1211-L1214 WeakPolarHBondContact O-CB 3.39Å; L1211-L1214 PolarHBondContact O-N 3.21Å; L1211-T1215 WeakPolarHBondContact O-CG2 3.31Å; L1211-T1215 PolarHBondContact O-N 3.31Å; L1211-T1215 VanDerWaalsContact O-N 3.12Å; L1211-T1215 PolarHBondContact O-OG1 3.42Å; L1211-A1227 HydrophobicContact CD1-CB 4.27Å; L1211-A1227 HydrophobicContact CD2-CB 3.85Å; L1211-Y1228 HydrophobicContact CB-CD2 4.1Å; L1211-Y1228 HydrophobicContact CB-CG 4.4Å; L1211-C1231 HydrophobicContact CD1-CB 3.92Å
1212H88.8Confident84.7Confident82 Ų8260.4 Ų60.438%0.3830%0.302SS..Hα-helixtrans-65.7-44.8172.3-170.757.7000111.8G1208 L1214 T1215 I1216 Y1228G1208-H1212 WeakPolarHBondContact O-CB 3.16Å; G1208-H1212 PolarHBondContact O-N 3.3Å; H1212-L1214 VanDerWaalsContact C-N 3.27Å; H1212-L1214 PolarHBondContact O-N 2.83Å; H1212-T1215 WeakPolarHBondContact CA-OG1 3.12Å; H1212-T1215 PolarHBondContact O-N 3.44Å; H1212-T1215 VanDerWaalsContact O-N 3.1Å; H1212-T1215 PolarHBondContact O-OG1 3.33Å; H1212-I1216 WeakPolarHBondContact O-CG1 3.28Å; H1212-I1216 PolarHBondContact O-N 2.92Å; H1212-Y1228 HydrophobicContact CB-CD2 4.24Å; H1212-Y1228 HydrophobicContact CB-CE1 4.42Å; H1212-Y1228 HydrophobicContact CB-CE2 3.81Å; H1212-Y1228 AromaticContact CG-CZ 3.98Å; H1212-Y1228 AromaticContact ND1-CE1 3.58Å; H1212-Y1228 AromaticContact ND1-CZ 3.61Å
1213H87.5Confident84.8Confident100 Ų10061.8 Ų61.846%0.46331%0.307SS..Hα-helixtrans-58.1-38.7175.3-167.9-76.3000112.2Q1209 I1210 I1216 Q1217Q1209-H1213 WeakPolarHBondContact O-CB 3.14Å; Q1209-H1213 PolarHBondContact O-N 3.04Å; I1210-H1213 PolarHBondContact O-N 3.41Å; H1213-I1216 PolarHBondContact O-N 3.03Å; H1213-Q1217 PolarHBondContact CE1-OE1 3.41Å; H1213-Q1217 VanDerWaalsContact ND1-CD 3.31Å; H1213-Q1217 PolarHBondContact ND1-OE1 3.13Å; H1213-Q1217 WeakPolarHBondContact O-CG 3.29Å; H1213-Q1217 PolarHBondContact O-N 2.81Å
1214L86.1Confident84.9Confident1 Ų159 Ų591%0.00529%0.294CS..Hα-helixtrans-60.5-48.3171.9-85.5162.6000113.1I1188 M1191 I1210 L1211 H1212 I1216 Q1217 Q1218I1188-L1214 HydrophobicContact CG2-CD2 4.17Å; M1191-L1214 HydrophobicContact CB-CD1 3.93Å; M1191-L1214 HydrophobicContact CB-CD2 3.8Å; M1191-L1214 HydrophobicContact CB-CG 3.97Å; M1191-L1214 HydrophobicContact CE-CD2 4.37Å; M1191-L1214 HydrophobicContact CE-CG 4.18Å; I1210-L1214 PolarHBondContact O-N 2.94Å; L1211-L1214 HydrophobicContact CD2-CD1 4.25Å; L1211-L1214 WeakPolarHBondContact O-CB 3.39Å; L1211-L1214 PolarHBondContact O-N 3.21Å; H1212-L1214 VanDerWaalsContact C-N 3.27Å; H1212-L1214 PolarHBondContact O-N 2.83Å; L1214-I1216 PolarHBondContact O-N 2.77Å; L1214-Q1217 PolarHBondContact O-N 2.76Å; L1214-Q1218 PolarHBondContact O-N 2.91Å
1215T84.8Confident85.1Confident16 Ų1658.2 Ų58.210%0.09829%0.291CS..Hα-helixtrans-64.9-29.6-179.655.60000112.8L1211 H1212 Q1218 H1225L1211-T1215 WeakPolarHBondContact O-CG2 3.31Å; L1211-T1215 PolarHBondContact O-N 3.31Å; L1211-T1215 VanDerWaalsContact O-N 3.12Å; L1211-T1215 PolarHBondContact O-OG1 3.42Å; H1212-T1215 WeakPolarHBondContact CA-OG1 3.12Å; H1212-T1215 PolarHBondContact O-N 3.44Å; H1212-T1215 VanDerWaalsContact O-N 3.1Å; H1212-T1215 PolarHBondContact O-OG1 3.33Å; T1215-Q1218 CarbonylContact O-C 3.54Å; T1215-H1225 HydrophobicContact CG2-CB 4.3Å; T1215-H1225 WeakPolarHBondContact CG2-ND1 3.43Å
1216I85.7Confident85.2Confident115 Ų11554.7 Ų54.759%0.5927%0.269SS*.Hα-helixtrans-72-47.5172.6-67.3165.5000111.2H1212 H1213 L1214 Q1218H1212-I1216 WeakPolarHBondContact O-CG1 3.28Å; H1212-I1216 PolarHBondContact O-N 2.92Å; H1213-I1216 PolarHBondContact O-N 3.03Å; L1214-I1216 PolarHBondContact O-N 2.77Å; I1216-Q1218 VanDerWaalsContact C-N 3.32Å; I1216-Q1218 PolarHBondContact O-N 3.23Å
1217Q81.4Confident85.1Confident96 Ų9650 Ų5045%0.44925%0.25SC..Hα-helixtrans-66.8-33.3-180-74.7-176.8-67.200112.9H1213 L1214H1213-Q1217 PolarHBondContact CE1-OE1 3.41Å; H1213-Q1217 VanDerWaalsContact ND1-CD 3.31Å; H1213-Q1217 PolarHBondContact ND1-OE1 3.13Å; H1213-Q1217 WeakPolarHBondContact O-CG 3.29Å; H1213-Q1217 PolarHBondContact O-N 2.81Å; L1214-Q1217 PolarHBondContact O-N 2.76Å
1218Q79.5Confident85.2Confident66 Ų6651.4 Ų51.431%0.30826%0.255SS..  trans-14081-173.3-73.7-69.8-13.400110.7I1188 L1214 T1215 I1216 N1220 F1221I1188-Q1218 HydrophobicContact CD1-CB 4.49Å; I1188-Q1218 HydrophobicContact CD1-CG 3.53Å; I1188-Q1218 HydrophobicContact CG1-CG 3.86Å; L1214-Q1218 PolarHBondContact O-N 2.91Å; T1215-Q1218 CarbonylContact O-C 3.54Å; I1216-Q1218 VanDerWaalsContact C-N 3.32Å; I1216-Q1218 PolarHBondContact O-N 3.23Å; Q1218-N1220 PolarHBondContact O-N 2.92Å; Q1218-N1220 VanDerWaalsContact O-N 3.11Å; Q1218-F1221 HydrophobicContact CB-CB 3.94Å; Q1218-F1221 WeakPolarHBondContact O-CB 3.44Å; Q1218-F1221 PolarHBondContact O-N 3.44Å
1219P80.7Confident85.3Confident63 Ų6350.9 Ų50.941%0.40925%0.249SC..THydrogen-bonded Turntrans-58.9-27.5178.823.2-34.1000112.4F1221 H1225P1219-F1221 VanDerWaalsContact C-N 3.26Å; P1219-F1221 PolarHBondContact O-N 2.6Å; P1219-H1225 PolarHBondContact O-NE2 3.37Å
1220N80.9Confident85.2Confident122 Ų12245.9 Ų45.965%0.65223%0.227SC*.THydrogen-bonded Turntrans-72.9-10177.3-65.8-9.8000114.3Q1218 L1222 M1264Q1218-N1220 PolarHBondContact O-N 2.92Å; Q1218-N1220 VanDerWaalsContact O-N 3.11Å; N1220-L1222 PolarHBondContact O-N 3.49Å; N1220-M1264 HydrophobicContact CB-CE 4.45Å
1221F83.6Confident85.2Confident44 Ų4444.5 Ų44.519%0.19322%0.22CC..  trans-85.275.5-175.7-173.8-119.2000112.1I1188 Y1192 Q1218 P1219 K1223 G1224I1188-F1221 HydrophobicContact CG2-CB 4.41Å; I1188-F1221 HydrophobicContact CG2-CD1 3.72Å; I1188-F1221 HydrophobicContact CG2-CD2 3.73Å; I1188-F1221 HydrophobicContact CG2-CE1 3.82Å; I1188-F1221 HydrophobicContact CG2-CE2 3.83Å; I1188-F1221 HydrophobicContact CG2-CG 3.68Å; I1188-F1221 HydrophobicContact CG2-CZ 3.88Å; Y1192-F1221 AromaticContact CD2-CE1 3.67Å; Y1192-F1221 HydrophobicContact CD2-CE1 3.67Å; Y1192-F1221 AromaticContact CD2-CZ 3.94Å; Y1192-F1221 HydrophobicContact CD2-CZ 3.94Å; Y1192-F1221 HydrophobicContact CE2-CE1 4.39Å; Y1192-F1221 HydrophobicContact CE2-CZ 4.46Å; Y1192-F1221 AromaticContact CG-CE1 3.96Å; Y1192-F1221 HydrophobicContact CG-CE1 3.96Å; Y1192-F1221 AromaticContact CG-CZ 3.96Å; Y1192-F1221 HydrophobicContact CG-CZ 3.96Å; Q1218-F1221 HydrophobicContact CB-CB 3.94Å; Q1218-F1221 WeakPolarHBondContact O-CB 3.44Å; Q1218-F1221 PolarHBondContact O-N 3.44Å; P1219-F1221 VanDerWaalsContact C-N 3.26Å; P1219-F1221 PolarHBondContact O-N 2.6Å; F1221-K1223 VanDerWaalsContact C-N 3.26Å; F1221-K1223 HydrophobicContact CE1-CB 4.34Å; F1221-K1223 HydrophobicContact CE2-CB 4.23Å; F1221-K1223 HydrophobicContact CZ-CB 3.96Å; F1221-K1223 PolarHBondContact O-N 3.16Å; F1221-K1223 VanDerWaalsContact O-N 3.08Å; F1221-G1224 WeakPolarHBondContact O-CA 3.42Å; F1221-G1224 PolarHBondContact O-N 3.06Å
1222L84.4Confident85Confident33 Ų3345 Ų4517%0.17322%0.223CC..Hα-helixtrans-41-44.6179.7177.960000114.9N1220 G1224 H1225 I1226 A1261 M1264 D1265 N1268N1220-L1222 PolarHBondContact O-N 3.49Å; L1222-G1224 VanDerWaalsContact C-N 3.29Å; L1222-G1224 PolarHBondContact O-N 3.29Å; L1222-H1225 PolarHBondContact O-N 3.12Å; L1222-I1226 HydrophobicContact CD1-CD1 4.07Å; L1222-I1226 HydrophobicContact CG-CD1 4.11Å; L1222-I1226 PolarHBondContact O-N 3.48Å; L1222-A1261 HydrophobicContact CD1-CB 3.83Å; L1222-A1261 VanDerWaalsContact CD1-O 3.27Å; L1222-A1261 WeakPolarHBondContact CD1-O 3.48Å; L1222-M1264 HydrophobicContact CD1-CB 4.35Å; L1222-D1265 HydrophobicContact CD1-CB 4.44Å; L1222-D1265 HydrophobicContact CD2-CB 3.51Å; L1222-N1268 WeakPolarHBondContact CD2-ND2 2.91Å
1223K82Confident84.6Confident110 Ų11041.7 Ų41.748%0.47821%0.208SC..Hα-helixtrans-65.2-29.9179.1-67.8-169.2176.8-1720113.3Y1192 F1221 A1227Y1192-K1223 HydrophobicContact CE2-CB 3.92Å; Y1192-K1223 WeakPolarHBondContact CE2-O 3.38Å; F1221-K1223 VanDerWaalsContact C-N 3.26Å; F1221-K1223 HydrophobicContact CE1-CB 4.34Å; F1221-K1223 HydrophobicContact CE2-CB 4.23Å; F1221-K1223 HydrophobicContact CZ-CB 3.96Å; F1221-K1223 PolarHBondContact O-N 3.16Å; F1221-K1223 VanDerWaalsContact O-N 3.08Å; K1223-A1227 WeakPolarHBondContact O-CB 3.19Å; K1223-A1227 PolarHBondContact O-N 2.69Å
1224G84.5Confident84.1Confident0 Ų038.5 Ų38.50%019%0.194CC..Hα-helixtrans-65.9-44.2175.400000112.1F1221 L1222 A1227 Y1228F1221-G1224 WeakPolarHBondContact O-CA 3.42Å; F1221-G1224 PolarHBondContact O-N 3.06Å; L1222-G1224 VanDerWaalsContact C-N 3.29Å; L1222-G1224 PolarHBondContact O-N 3.29Å; G1224-A1227 PolarHBondContact O-N 3.06Å; G1224-Y1228 WeakPolarHBondContact O-CB 3.44Å; G1224-Y1228 PolarHBondContact O-N 2.69Å
1225H87.9Confident83.5Confident13 Ų1340.6 Ų40.66%0.0620%0.202CC..Hα-helixtrans-61-46.4175.2-64.5-79.1000111.7T1215 P1219 L1222 A1227 Y1228 A1229 V1257 F1260 A1261T1215-H1225 HydrophobicContact CG2-CB 4.3Å; T1215-H1225 WeakPolarHBondContact CG2-ND1 3.43Å; P1219-H1225 PolarHBondContact O-NE2 3.37Å; L1222-H1225 PolarHBondContact O-N 3.12Å; H1225-A1227 PolarHBondContact O-N 2.61Å; H1225-Y1228 PolarHBondContact O-N 3.07Å; H1225-A1229 WeakPolarHBondContact O-CB 3.29Å; H1225-A1229 PolarHBondContact O-N 3.45Å; H1225-V1257 HydrophobicContact CB-CG1 3.85Å; H1225-V1257 WeakPolarHBondContact O-CG1 3.37Å; H1225-F1260 AromaticContact CE1-CD1 3.46Å; H1225-F1260 VanDerWaalsContact CE1-CD1 3.46Å; H1225-F1260 WeakPolarHBondContact CE1-CD1 3.29Å; H1225-F1260 AromaticContact CE1-CE1 3.43Å; H1225-F1260 VanDerWaalsContact CE1-CE1 3.43Å; H1225-F1260 WeakPolarHBondContact CE1-CE1 3.38Å; H1225-F1260 AromaticContact ND1-CD1 3.7Å; H1225-F1260 AromaticContact NE2-CD1 3.72Å; H1225-F1260 AromaticContact NE2-CE1 3.41Å; H1225-F1260 WeakPolarHBondContact NE2-CE1 3.5Å; H1225-A1261 HydrophobicContact CB-CB 4.26Å
1226I87Confident82.7Confident5 Ų540.3 Ų40.33%0.02620%0.2CC..Hα-helixtrans-63.8-43.2179-64.6166.1000111.1L1222 A1229 N1230 A1261 N1268 E1270 A1271L1222-I1226 HydrophobicContact CD1-CD1 4.07Å; L1222-I1226 HydrophobicContact CG-CD1 4.11Å; L1222-I1226 PolarHBondContact O-N 3.48Å; I1226-A1229 PolarHBondContact O-N 3.39Å; I1226-N1230 WeakPolarHBondContact O-CB 3.48Å; I1226-N1230 PolarHBondContact O-N 3.26Å; I1226-N1230 PolarHBondContact O-ND2 2.85Å; I1226-N1230 PolarHBondContact O-OD1 2.76Å; I1226-A1261 HydrophobicContact CG1-CB 4.05Å; I1226-N1268 WeakPolarHBondContact CD1-ND2 3.27Å; I1226-E1270 HydrophobicContact CG2-CG 3.94Å; I1226-A1271 HydrophobicContact CD1-CB 4.07Å; I1226-A1271 HydrophobicContact CG1-CB 4.14Å
1227A83.8Confident81.4Confident5 Ų537 Ų374%0.04119%0.194CC..Hα-helixtrans-65.3-39.1175.100000112.4Y1192 L1211 K1223 G1224 H1225 C1231Y1192-A1227 HydrophobicContact CD2-CB 4.3Å; Y1192-A1227 HydrophobicContact CE2-CB 3.78Å; L1211-A1227 HydrophobicContact CD1-CB 4.27Å; L1211-A1227 HydrophobicContact CD2-CB 3.85Å; K1223-A1227 WeakPolarHBondContact O-CB 3.19Å; K1223-A1227 PolarHBondContact O-N 2.69Å; G1224-A1227 PolarHBondContact O-N 3.06Å; H1225-A1227 PolarHBondContact O-N 2.61Å; A1227-C1231 WeakPolarHBondContact O-CB 3.37Å; A1227-C1231 PolarHBondContact O-N 3.46Å
1228Y89.8Confident80.2Confident28 Ų2835.4 Ų35.411%0.1118%0.184CC..Hα-helixtrans-62.1-48.8175.2-179.8-133.5000111.3L1211 H1212 G1224 H1225 C1231 L1232 V1257L1211-Y1228 HydrophobicContact CB-CD2 4.1Å; L1211-Y1228 HydrophobicContact CB-CG 4.4Å; H1212-Y1228 HydrophobicContact CB-CD2 4.24Å; H1212-Y1228 HydrophobicContact CB-CE1 4.42Å; H1212-Y1228 HydrophobicContact CB-CE2 3.81Å; H1212-Y1228 AromaticContact CG-CZ 3.98Å; H1212-Y1228 AromaticContact ND1-CE1 3.58Å; H1212-Y1228 AromaticContact ND1-CZ 3.61Å; G1224-Y1228 WeakPolarHBondContact O-CB 3.44Å; G1224-Y1228 PolarHBondContact O-N 2.69Å; H1225-Y1228 PolarHBondContact O-N 3.07Å; Y1228-C1231 WeakPolarHBondContact O-CB 3.18Å; Y1228-C1231 PolarHBondContact O-N 3.47Å; Y1228-C1231 VanDerWaalsContact O-N 3.15Å; Y1228-L1232 HydrophobicContact CD2-CG 4.49Å; Y1228-L1232 HydrophobicContact CE1-CD1 4.13Å; Y1228-L1232 HydrophobicContact CE2-CD1 4.25Å; Y1228-L1232 HydrophobicContact CE2-CD2 4.07Å; Y1228-L1232 HydrophobicContact CE2-CG 4.17Å; Y1228-L1232 WeakPolarHBondContact O-CG 3.14Å; Y1228-L1232 PolarHBondContact O-N 3.31Å; Y1228-V1257 HydrophobicContact CD1-CG1 4.04Å; Y1228-V1257 HydrophobicContact CD1-CG2 3.82Å; Y1228-V1257 HydrophobicContact CE1-CG2 3.84Å
1229A88Confident79.2Confident0 Ų033.8 Ų33.80%018%0.178CC..Hα-helixtrans-63.2-42.9177.300000112.5H1225 I1226 C1231 L1232 M1233 V1257 Y1258H1225-A1229 WeakPolarHBondContact O-CB 3.29Å; H1225-A1229 PolarHBondContact O-N 3.45Å; I1226-A1229 PolarHBondContact O-N 3.39Å; A1229-C1231 VanDerWaalsContact C-N 3.28Å; A1229-C1231 PolarHBondContact O-N 2.92Å; A1229-L1232 WeakPolarHBondContact O-CB 3.44Å; A1229-L1232 PolarHBondContact O-N 3.27Å; A1229-L1232 VanDerWaalsContact O-N 3.1Å; A1229-M1233 PolarHBondContact O-N 2.71Å; A1229-V1257 HydrophobicContact CB-CB 4.01Å; A1229-V1257 HydrophobicContact CB-CG1 3.85Å; A1229-Y1258 HydrophobicContact CB-CD1 3.93Å; A1229-Y1258 HydrophobicContact CB-CD2 3.88Å; A1229-Y1258 HydrophobicContact CB-CE1 3.57Å; A1229-Y1258 HydrophobicContact CB-CE2 3.51Å; A1229-Y1258 HydrophobicContact CB-CG 4.06Å
1230N86.2Confident78Confident33 Ų3333.6 Ų33.618%0.17617%0.173CC..Hα-helixtrans-56.4-43.6172-69.8-17.4000111.1I1226 L1232 M1233 D1234 Y1258I1226-N1230 WeakPolarHBondContact O-CB 3.48Å; I1226-N1230 PolarHBondContact O-N 3.26Å; I1226-N1230 PolarHBondContact O-ND2 2.85Å; I1226-N1230 PolarHBondContact O-OD1 2.76Å; N1230-L1232 VanDerWaalsContact C-N 3.3Å; N1230-L1232 PolarHBondContact O-N 3.3Å; N1230-M1233 PolarHBondContact O-N 3.44Å; N1230-D1234 PolarHBondContact O-N 3.11Å; N1230-Y1258 PolarHBondContact N-OH 3.22Å; N1230-Y1258 PolarHBondContact OD1-OH 2.79Å
1231C86.7Confident76.5Confident2 Ų234.6 Ų34.61%0.01417%0.171CC..Hα-helixtrans-65.9-29.6178.3-173.80000113.2Q1199 A1207 L1211 A1227 Y1228 A1229 Y1235Q1199-C1231 HydrophobicContact CG-CB 4.45Å; A1207-C1231 VanDerWaalsContact CB-SG 3.51Å; L1211-C1231 HydrophobicContact CD1-CB 3.92Å; A1227-C1231 WeakPolarHBondContact O-CB 3.37Å; A1227-C1231 PolarHBondContact O-N 3.46Å; Y1228-C1231 WeakPolarHBondContact O-CB 3.18Å; Y1228-C1231 PolarHBondContact O-N 3.47Å; Y1228-C1231 VanDerWaalsContact O-N 3.15Å; A1229-C1231 VanDerWaalsContact C-N 3.28Å; A1229-C1231 PolarHBondContact O-N 2.92Å; C1231-Y1235 WeakPolarHBondContact O-CB 3.27Å; C1231-Y1235 PolarHBondContact O-N 3.28Å; C1231-Y1235 VanDerWaalsContact O-N 3.11Å
1232L85Confident75Confident12 Ų1237.1 Ų37.16%0.06319%0.185CC..Hα-helixtrans-71.3-42.2173.1-64.5173000111.3Y1228 A1229 N1230 Y1235 E1236 L1250 Q1253 A1254Y1228-L1232 HydrophobicContact CD2-CG 4.49Å; Y1228-L1232 HydrophobicContact CE1-CD1 4.13Å; Y1228-L1232 HydrophobicContact CE2-CD1 4.25Å; Y1228-L1232 HydrophobicContact CE2-CD2 4.07Å; Y1228-L1232 HydrophobicContact CE2-CG 4.17Å; Y1228-L1232 WeakPolarHBondContact O-CG 3.14Å; Y1228-L1232 PolarHBondContact O-N 3.31Å; A1229-L1232 WeakPolarHBondContact O-CB 3.44Å; A1229-L1232 PolarHBondContact O-N 3.27Å; A1229-L1232 VanDerWaalsContact O-N 3.1Å; N1230-L1232 VanDerWaalsContact C-N 3.3Å; N1230-L1232 PolarHBondContact O-N 3.3Å; L1232-Y1235 PolarHBondContact O-N 2.83Å; L1232-E1236 PolarHBondContact O-N 3.41Å; L1232-L1250 HydrophobicContact CD2-CD2 3.73Å; L1232-Q1253 HydrophobicContact CD1-CB 3.86Å; L1232-A1254 HydrophobicContact CB-CB 4.01Å; L1232-A1254 HydrophobicContact CD1-CB 4.36Å
1233M81.2Confident73.7Confident11 Ų1137.4 Ų37.45%0.05420%0.196CC..Hα-helixtrans-65.6-39.7175-59.7-165.8-4600112.7A1229 N1230 E1236 G1237 W1251 A1254 Y1258 C1278A1229-M1233 PolarHBondContact O-N 2.71Å; N1230-M1233 PolarHBondContact O-N 3.44Å; M1233-E1236 WeakPolarHBondContact O-CB 3.43Å; M1233-E1236 PolarHBondContact O-N 3.44Å; M1233-G1237 PolarHBondContact O-N 3.25Å; M1233-G1237 VanDerWaalsContact O-N 3.08Å; M1233-W1251 HydrophobicContact CB-CH2 3.9Å; M1233-W1251 HydrophobicContact CB-CZ3 4.12Å; M1233-W1251 HydrophobicContact CG-CE3 4.23Å; M1233-W1251 HydrophobicContact CG-CH2 3.89Å; M1233-W1251 HydrophobicContact CG-CZ3 3.57Å; M1233-W1251 HydrophobicContact SD-CH2 4.06Å; M1233-W1251 HydrophobicContact SD-CZ3 3.58Å; M1233-W1251 VanDerWaalsContact SD-CZ3 3.58Å; M1233-A1254 HydrophobicContact CG-CB 4.05Å; M1233-Y1258 HydrophobicContact CE-CE2 4.41Å; M1233-Y1258 WeakPolarHBondContact CE-OH 3.38Å; M1233-Y1258 HydrophobicContact CG-CE2 4.41Å; M1233-Y1258 HydrophobicContact SD-CE2 3.81Å; M1233-C1278 VanDerWaalsContact SD-SG 3.68Å
1234D76.2Confident72.8Confident34 Ų3437.2 Ų37.218%0.18220%0.199CC..Hα-helixtrans-69.5-37.8178.2-68.5-20.5000111.9Q1199 Y1204 N1230 E1236 G1237 Y1238Q1199-D1234 PolarHBondContact NE2-OD2 2.92Å; Y1204-D1234 HydrophobicContact CD1-CB 4Å; Y1204-D1234 HydrophobicContact CE1-CB 3.34Å; N1230-D1234 PolarHBondContact O-N 3.11Å; D1234-E1236 PolarHBondContact O-N 3.27Å; D1234-G1237 PolarHBondContact O-N 3.44Å; D1234-Y1238 WeakPolarHBondContact O-CB 3.38Å; D1234-Y1238 PolarHBondContact O-N 3.46Å
1235Y74.9Confident72Confident44 Ų4443.4 Ų43.417%0.17323%0.232CC..Hα-helixtrans-60-37.6176-173.4-136.7000111.6Y1204 T1205 C1231 L1232 Y1238 N1239 L1250Y1204-Y1235 AromaticContact CD2-CD2 3.89Å; Y1204-Y1235 HydrophobicContact CD2-CD2 3.89Å; Y1204-Y1235 AromaticContact CG-CD2 3.88Å; Y1204-Y1235 HydrophobicContact CG-CD2 3.88Å; Y1204-Y1235 HydrophobicContact CG-CG 4.37Å; T1205-Y1235 HydrophobicContact CG2-CE2 4.12Å; C1231-Y1235 WeakPolarHBondContact O-CB 3.27Å; C1231-Y1235 PolarHBondContact O-N 3.28Å; C1231-Y1235 VanDerWaalsContact O-N 3.11Å; L1232-Y1235 PolarHBondContact O-N 2.83Å; Y1235-Y1238 PolarHBondContact O-N 3.08Å; Y1235-N1239 WeakPolarHBondContact CD2-ND2 2.94Å; Y1235-N1239 WeakPolarHBondContact CE2-ND2 2.98Å; Y1235-N1239 WeakPolarHBondContact O-CB 3.36Å; Y1235-N1239 PolarHBondContact O-N 2.93Å; Y1235-N1239 VanDerWaalsContact O-N 3.07Å; Y1235-L1250 HydrophobicContact CD1-CD1 3.57Å; Y1235-L1250 HydrophobicContact CD1-CD2 4.15Å; Y1235-L1250 HydrophobicContact CE1-CD1 3.83Å
1236E66.2Low71.1Confident11 Ų1146.1 Ų46.15%0.05125%0.245CC..Hα-helixtrans-65.3-52.1174.5-86.5-63.6118.300113L1232 M1233 D1234 Y1238 N1239 S1247 L1250 W1251L1232-E1236 PolarHBondContact O-N 3.41Å; M1233-E1236 WeakPolarHBondContact O-CB 3.43Å; M1233-E1236 PolarHBondContact O-N 3.44Å; D1234-E1236 PolarHBondContact O-N 3.27Å; E1236-Y1238 PolarHBondContact O-N 3.03Å; E1236-Y1238 VanDerWaalsContact O-N 3.1Å; E1236-N1239 PolarHBondContact O-N 2.99Å; E1236-N1239 VanDerWaalsContact O-N 3.1Å; E1236-S1247 WeakPolarHBondContact OE1-CA 3.42Å; E1236-S1247 WeakPolarHBondContact OE2-CA 3.38Å; E1236-S1247 WeakPolarHBondContact OE2-CB 3.42Å; E1236-L1250 HydrophobicContact CG-CB 3.56Å; E1236-L1250 HydrophobicContact CG-CD1 4.17Å; E1236-L1250 WeakPolarHBondContact OE1-CD1 3.4Å; E1236-W1251 HydrophobicContact CB-CZ2 4.16Å; E1236-W1251 PolarHBondContact OE2-NE1 2.96Å
1237G60Low70.2Confident44 Ų4447.2 Ų47.245%0.45425%0.253SS..Hα-helixtrans-56.9-27.3174.900000113.3M1233 D1234M1233-G1237 PolarHBondContact O-N 3.25Å; M1233-G1237 VanDerWaalsContact O-N 3.08Å; D1234-G1237 PolarHBondContact O-N 3.44Å
1238Y56.4Low69.8Low63 Ų6351.7 Ų51.725%0.24727%0.274CS..Hα-helixtrans-82.4-33.6176.6-167.6-94.9000113.9Q146 N148 E1202 Y1204 D1234 Y1235 E1236Q146-Y1238 PolarHBondContact NE2-OH 3.05Å; N148-Y1238 PolarHBondContact ND2-O 2.72Å; E1202-Y1238 HydrophobicContact CB-CD2 4.49Å; E1202-Y1238 HydrophobicContact CB-CE2 4.07Å; E1202-Y1238 HydrophobicContact CG-CD2 4.42Å; E1202-Y1238 HydrophobicContact CG-CE2 4.12Å; Y1204-Y1238 HydrophobicContact CD2-CD1 4.4Å; Y1204-Y1238 HydrophobicContact CD2-CG 4.28Å; Y1204-Y1238 HydrophobicContact CE2-CD1 4.13Å; Y1204-Y1238 AromaticContact CE2-CD2 3.87Å; Y1204-Y1238 HydrophobicContact CE2-CD2 3.87Å; Y1204-Y1238 AromaticContact CE2-CG 3.61Å; Y1204-Y1238 HydrophobicContact CE2-CG 3.61Å; D1234-Y1238 WeakPolarHBondContact O-CB 3.38Å; D1234-Y1238 PolarHBondContact O-N 3.46Å; Y1235-Y1238 PolarHBondContact O-N 3.08Å; E1236-Y1238 PolarHBondContact O-N 3.03Å; E1236-Y1238 VanDerWaalsContact O-N 3.1Å
1239N57.5Low69.4Low33 Ų3357 Ų5718%0.17630%0.298CS..  trans-119.346.3-165.1-85.4-41.8000116.1Y1235 E1236 K1241 M1242Y1235-N1239 WeakPolarHBondContact CD2-ND2 2.94Å; Y1235-N1239 WeakPolarHBondContact CE2-ND2 2.98Å; Y1235-N1239 WeakPolarHBondContact O-CB 3.36Å; Y1235-N1239 PolarHBondContact O-N 2.93Å; Y1235-N1239 VanDerWaalsContact O-N 3.07Å; E1236-N1239 PolarHBondContact O-N 2.99Å; E1236-N1239 VanDerWaalsContact O-N 3.1Å; N1239-K1241 PolarHBondContact O-N 2.81Å; N1239-M1242 HydrophobicContact CB-CG 4.08Å; N1239-M1242 PolarHBondContact O-N 3.37Å
1240I55Low69.1Low59 Ų5957.7 Ų57.730%0.30330%0.301SS..G310 helixtrans-57.7-13.5174.8-58.1134.4000113.3Y149 P150 M1242Y149-I1240 VanDerWaalsContact O-CD1 3.3Å; Y149-I1240 WeakPolarHBondContact O-CD1 3.34Å; P150-I1240 HydrophobicContact CG-CG2 4.25Å; P150-I1240 WeakPolarHBondContact O-CD1 3.44Å; I1240-M1242 VanDerWaalsContact C-N 3.27Å; I1240-M1242 PolarHBondContact O-N 3.11Å
1241K50.2Low69Low142 Ų14258 Ų5862%0.61730%0.3SS*.G310 helixtrans-63.9-18.7168.4-74.7171.6171.1157.70115.5N148 N1239 G1243N148-K1241 WeakPolarHBondContact OD1-CE 3.44Å; N148-K1241 PolarHBondContact OD1-NZ 2.77Å; N1239-K1241 PolarHBondContact O-N 2.81Å; K1241-G1243 VanDerWaalsContact C-N 3.27Å; K1241-G1243 PolarHBondContact O-N 3.02Å
1242M51.8Low69Low97 Ų9761.2 Ų61.248%0.47832%0.317SS..G310 helixtrans-81.1-2.9-174.3-68.6-64.5-135.200114.4N1239 I1240 H1246N1239-M1242 HydrophobicContact CB-CG 4.08Å; N1239-M1242 PolarHBondContact O-N 3.37Å; I1240-M1242 VanDerWaalsContact C-N 3.27Å; I1240-M1242 PolarHBondContact O-N 3.11Å; M1242-H1246 HydrophobicContact CB-CB 3.77Å; M1242-H1246 WeakPolarHBondContact O-CB 3.23Å
1243G57Low69.2Low40 Ų4064.9 Ų64.941%0.41233%0.334SS..  trans78.6156.5177.300000114.2K1241 N1245 H1246 S1247K1241-G1243 VanDerWaalsContact C-N 3.27Å; K1241-G1243 PolarHBondContact O-N 3.02Å; G1243-N1245 PolarHBondContact O-N 3.07Å; G1243-N1245 VanDerWaalsContact O-N 3.11Å; G1243-H1246 PolarHBondContact O-N 3.12Å; G1243-S1247 PolarHBondContact O-N 2.99Å
1244I63.4Low69.5Low105 Ų10564.4 Ų64.454%0.53833%0.331SS..Hα-helixtrans-61-29.5-167.8-51.5176.9000112.4S1247 M1248I1244-S1247 VanDerWaalsContact CA-OG 3.31Å; I1244-S1247 WeakPolarHBondContact CA-OG 3.3Å; I1244-S1247 PolarHBondContact O-N 3.34Å; I1244-S1247 PolarHBondContact O-OG 3.26Å; I1244-M1248 HydrophobicContact CG2-CE 3.68Å; I1244-M1248 HydrophobicContact CG2-CG 4.47Å; I1244-M1248 WeakPolarHBondContact O-CG 3.06Å; I1244-M1248 PolarHBondContact O-N 2.65Å; I1244-M1248 VanDerWaalsContact O-N 3.1Å
1245N68Low70.2Confident130 Ų13063.3 Ų63.370%0.69533%0.326SS*.Hα-helixtrans-77.3-16.4178.2-70.8-24.1000114.3G1243 K1249G1243-N1245 PolarHBondContact O-N 3.07Å; G1243-N1245 VanDerWaalsContact O-N 3.11Å; N1245-K1249 WeakPolarHBondContact O-CD 3.28Å; N1245-K1249 WeakPolarHBondContact O-CE 3.33Å; N1245-K1249 WeakPolarHBondContact O-CG 3.41Å
1246H68.6Low70.9Confident70 Ų7064.3 Ų64.332%0.32434%0.339SS..Hα-helixtrans-84.9-42.4167.1-159.881.1000109.7M1242 G1243 M1248 K1249 L1250M1242-H1246 HydrophobicContact CB-CB 3.77Å; M1242-H1246 WeakPolarHBondContact O-CB 3.23Å; G1243-H1246 PolarHBondContact O-N 3.12Å; H1246-M1248 PolarHBondContact O-N 2.99Å; H1246-K1249 WeakPolarHBondContact O-CB 3.19Å; H1246-K1249 PolarHBondContact O-N 3.39Å; H1246-L1250 VanDerWaalsContact CD2-CD1 3.46Å; H1246-L1250 WeakPolarHBondContact CD2-CD1 3.33Å; H1246-L1250 PolarHBondContact O-N 2.9Å
1247S68.5Low72.1Confident29 Ų2964.5 Ų64.520%0.20334%0.341CS..Hα-helixtrans-60-50.7-177.461.70000113.4E1236 G1243 I1244 K1249 L1250 W1251E1236-S1247 WeakPolarHBondContact OE1-CA 3.42Å; E1236-S1247 WeakPolarHBondContact OE2-CA 3.38Å; E1236-S1247 WeakPolarHBondContact OE2-CB 3.42Å; G1243-S1247 PolarHBondContact O-N 2.99Å; I1244-S1247 VanDerWaalsContact CA-OG 3.31Å; I1244-S1247 WeakPolarHBondContact CA-OG 3.3Å; I1244-S1247 PolarHBondContact O-N 3.34Å; I1244-S1247 PolarHBondContact O-OG 3.26Å; S1247-K1249 PolarHBondContact O-N 2.8Å; S1247-L1250 PolarHBondContact O-N 3.48Å; S1247-L1250 VanDerWaalsContact O-N 3.12Å; S1247-W1251 VanDerWaalsContact O-CD1 3.23Å; S1247-W1251 PolarHBondContact O-N 2.88Å
1248M74.3Confident73.6Confident99 Ų9962.4 Ų62.449%0.48832%0.319SS..Hα-helixtrans-56.3-29.2176.7-67.3-160.1-153.300113I1244 H1246 N1252I1244-M1248 HydrophobicContact CG2-CE 3.68Å; I1244-M1248 HydrophobicContact CG2-CG 4.47Å; I1244-M1248 WeakPolarHBondContact O-CG 3.06Å; I1244-M1248 PolarHBondContact O-N 2.65Å; I1244-M1248 VanDerWaalsContact O-N 3.1Å; H1246-M1248 PolarHBondContact O-N 2.99Å; M1248-N1252 WeakPolarHBondContact O-CB 3.31Å; M1248-N1252 PolarHBondContact O-N 2.95Å; M1248-N1252 PolarHBondContact O-ND2 2.87Å
1249K81.6Confident75.2Confident139 Ų13963.2 Ų63.260%0.60433%0.325SS*.Hα-helixtrans-70.9-44.5178.6-68176.6-177.5179.10111.7N1245 H1246 S1247 N1252 Q1253N1245-K1249 WeakPolarHBondContact O-CD 3.28Å; N1245-K1249 WeakPolarHBondContact O-CE 3.33Å; N1245-K1249 WeakPolarHBondContact O-CG 3.41Å; H1246-K1249 WeakPolarHBondContact O-CB 3.19Å; H1246-K1249 PolarHBondContact O-N 3.39Å; S1247-K1249 PolarHBondContact O-N 2.8Å; K1249-N1252 PolarHBondContact O-N 3.39Å; K1249-Q1253 WeakPolarHBondContact O-CG 3.34Å; K1249-Q1253 PolarHBondContact O-N 3.44Å
1250L83Confident76.7Confident15 Ų1565.5 Ų65.58%0.07933%0.334CS..Hα-helixtrans-70.6-37.9-179.8-73.4161000111.7L1232 Y1235 E1236 H1246 S1247 Q1253 A1254L1232-L1250 HydrophobicContact CD2-CD2 3.73Å; Y1235-L1250 HydrophobicContact CD1-CD1 3.57Å; Y1235-L1250 HydrophobicContact CD1-CD2 4.15Å; Y1235-L1250 HydrophobicContact CE1-CD1 3.83Å; E1236-L1250 HydrophobicContact CG-CB 3.56Å; E1236-L1250 HydrophobicContact CG-CD1 4.17Å; E1236-L1250 WeakPolarHBondContact OE1-CD1 3.4Å; H1246-L1250 VanDerWaalsContact CD2-CD1 3.46Å; H1246-L1250 WeakPolarHBondContact CD2-CD1 3.33Å; H1246-L1250 PolarHBondContact O-N 2.9Å; S1247-L1250 PolarHBondContact O-N 3.48Å; S1247-L1250 VanDerWaalsContact O-N 3.12Å; L1250-Q1253 PolarHBondContact O-N 2.91Å; L1250-A1254 PolarHBondContact O-N 3.3Å
1251W83.8Confident78.3Confident39 Ų3962.7 Ų62.715%0.14832%0.319CS..Hα-helixtrans-64-41.5171.7-76103.5000113.2M1233 E1236 S1247 Q1253 A1254 L1255 C1278 V1281 L1282M1233-W1251 HydrophobicContact CB-CH2 3.9Å; M1233-W1251 HydrophobicContact CB-CZ3 4.12Å; M1233-W1251 HydrophobicContact CG-CE3 4.23Å; M1233-W1251 HydrophobicContact CG-CH2 3.89Å; M1233-W1251 HydrophobicContact CG-CZ3 3.57Å; M1233-W1251 HydrophobicContact SD-CH2 4.06Å; M1233-W1251 HydrophobicContact SD-CZ3 3.58Å; M1233-W1251 VanDerWaalsContact SD-CZ3 3.58Å; E1236-W1251 HydrophobicContact CB-CZ2 4.16Å; E1236-W1251 PolarHBondContact OE2-NE1 2.96Å; S1247-W1251 VanDerWaalsContact O-CD1 3.23Å; S1247-W1251 PolarHBondContact O-N 2.88Å; W1251-Q1253 VanDerWaalsContact C-N 3.35Å; W1251-A1254 PolarHBondContact O-N 3.22Å; W1251-L1255 WeakPolarHBondContact O-CB 3.36Å; W1251-L1255 PolarHBondContact O-N 3.44Å; W1251-C1278 HydrophobicContact CE3-CB 4.27Å; W1251-V1281 HydrophobicContact CD2-CB 4.26Å; W1251-V1281 HydrophobicContact CD2-CG1 3.84Å; W1251-V1281 HydrophobicContact CE3-CB 4.15Å; W1251-V1281 HydrophobicContact CE3-CG1 4.25Å; W1251-V1281 HydrophobicContact CE3-CG2 4.21Å; W1251-V1281 HydrophobicContact CG-CG1 4.23Å; W1251-V1281 HydrophobicContact CH2-CB 4.49Å; W1251-V1281 HydrophobicContact CH2-CG2 3.76Å; W1251-V1281 HydrophobicContact CZ2-CG1 4.15Å; W1251-V1281 HydrophobicContact CZ2-CG2 4.11Å; W1251-V1281 HydrophobicContact CZ3-CB 4.26Å; W1251-V1281 HydrophobicContact CZ3-CG2 3.81Å; W1251-L1282 HydrophobicContact CB-CD2 4.16Å; W1251-L1282 HydrophobicContact CB-CG 4.46Å
1252N86.6Confident80Confident69 Ų6956.7 Ų56.737%0.36929%0.294SS..Hα-helixtrans-67.7-33.1174.2-80.7-69.6000112.5M1248 K1249 S1256M1248-N1252 WeakPolarHBondContact O-CB 3.31Å; M1248-N1252 PolarHBondContact O-N 2.95Å; M1248-N1252 PolarHBondContact O-ND2 2.87Å; K1249-N1252 PolarHBondContact O-N 3.39Å; N1252-S1256 PolarHBondContact O-N 3.37Å; N1252-S1256 VanDerWaalsContact O-N 3.13Å
1253Q88.3Confident81.6Confident90 Ų9058.8 Ų58.842%0.42130%0.301SS..Hα-helixtrans-65-50171.1-74.5174.7-2.800111.5L1232 K1249 L1250 W1251 L1255 S1256 V1257L1232-Q1253 HydrophobicContact CD1-CB 3.86Å; K1249-Q1253 WeakPolarHBondContact O-CG 3.34Å; K1249-Q1253 PolarHBondContact O-N 3.44Å; L1250-Q1253 PolarHBondContact O-N 2.91Å; W1251-Q1253 VanDerWaalsContact C-N 3.35Å; Q1253-L1255 VanDerWaalsContact C-N 3.33Å; Q1253-L1255 PolarHBondContact O-N 3.12Å; Q1253-S1256 PolarHBondContact O-N 3.21Å; Q1253-S1256 VanDerWaalsContact O-N 3.15Å; Q1253-S1256 PolarHBondContact O-OG 3.23Å; Q1253-V1257 WeakPolarHBondContact O-CG2 3.39Å; Q1253-V1257 PolarHBondContact O-N 3.38Å; Q1253-V1257 VanDerWaalsContact O-N 3.14Å
1254A88.7Confident82.9Confident0 Ų060.7 Ų60.70%030%0.3CS..Hα-helixtrans-55.5-46.2176.800000112.1L1232 M1233 L1250 W1251 S1256 V1257 Y1258L1232-A1254 HydrophobicContact CB-CB 4.01Å; L1232-A1254 HydrophobicContact CD1-CB 4.36Å; M1233-A1254 HydrophobicContact CG-CB 4.05Å; L1250-A1254 PolarHBondContact O-N 3.3Å; W1251-A1254 PolarHBondContact O-N 3.22Å; A1254-S1256 PolarHBondContact O-N 3.39Å; A1254-V1257 PolarHBondContact O-N 2.89Å; A1254-Y1258 HydrophobicContact CB-CE2 4.36Å; A1254-Y1258 WeakPolarHBondContact O-CD2 3.49Å; A1254-Y1258 PolarHBondContact O-N 3.32Å
1255L90Very high83.8Confident12 Ų1258.6 Ų58.66%0.06329%0.29CS..Hα-helixtrans-53.9-50.2174.5179.9151.9000111.9W1251 Q1253 V1257 Y1258 E1259 L1275 C1278 L1279 L1282W1251-L1255 WeakPolarHBondContact O-CB 3.36Å; W1251-L1255 PolarHBondContact O-N 3.44Å; Q1253-L1255 VanDerWaalsContact C-N 3.33Å; Q1253-L1255 PolarHBondContact O-N 3.12Å; L1255-V1257 VanDerWaalsContact C-N 3.27Å; L1255-V1257 PolarHBondContact O-N 3.28Å; L1255-Y1258 PolarHBondContact O-N 3.4Å; L1255-E1259 HydrophobicContact CD2-CG 4.36Å; L1255-E1259 WeakPolarHBondContact CD2-OE1 3.07Å; L1255-E1259 PolarHBondContact O-N 3.45Å; L1255-L1275 HydrophobicContact CD1-CD1 4.46Å; L1255-L1275 HydrophobicContact CG-CD1 3.82Å; L1255-C1278 HydrophobicContact CB-CB 4.11Å; L1255-L1279 HydrophobicContact CD1-CD2 3.75Å; L1255-L1279 HydrophobicContact CD1-CG 4.3Å; L1255-L1282 HydrophobicContact CD1-CD1 3.6Å
1256S90.5Very high84.4Confident64 Ų6459.2 Ų59.245%0.44829%0.288SS..Hα-helixtrans-61.7-32.6-179.970.30000113.5N1252 Q1253 A1254 F1260N1252-S1256 PolarHBondContact O-N 3.37Å; N1252-S1256 VanDerWaalsContact O-N 3.13Å; Q1253-S1256 PolarHBondContact O-N 3.21Å; Q1253-S1256 VanDerWaalsContact O-N 3.15Å; Q1253-S1256 PolarHBondContact O-OG 3.23Å; A1254-S1256 PolarHBondContact O-N 3.39Å; S1256-F1260 PolarHBondContact O-N 2.94Å; S1256-F1260 VanDerWaalsContact O-N 3.12Å
1257V90.6Very high84.8Confident16 Ų1659.3 Ų59.310%0.09729%0.291CS..Hα-helixtrans-77.7-37177.5178.80000111.9H1225 Y1228 A1229 Q1253 A1254 L1255 F1260 A1261H1225-V1257 HydrophobicContact CB-CG1 3.85Å; H1225-V1257 WeakPolarHBondContact O-CG1 3.37Å; Y1228-V1257 HydrophobicContact CD1-CG1 4.04Å; Y1228-V1257 HydrophobicContact CD1-CG2 3.82Å; Y1228-V1257 HydrophobicContact CE1-CG2 3.84Å; A1229-V1257 HydrophobicContact CB-CB 4.01Å; A1229-V1257 HydrophobicContact CB-CG1 3.85Å; Q1253-V1257 WeakPolarHBondContact O-CG2 3.39Å; Q1253-V1257 PolarHBondContact O-N 3.38Å; Q1253-V1257 VanDerWaalsContact O-N 3.14Å; A1254-V1257 PolarHBondContact O-N 2.89Å; L1255-V1257 VanDerWaalsContact C-N 3.27Å; L1255-V1257 PolarHBondContact O-N 3.28Å; V1257-F1260 PolarHBondContact O-N 2.95Å; V1257-A1261 WeakPolarHBondContact O-CB 3.47Å; V1257-A1261 PolarHBondContact O-N 2.75Å
1258Y92Very high85.6Confident0 Ų059.3 Ų59.30%029%0.288CS..Hα-helixtrans-68.3-38.7171.9-69.5-62.3000112.4A1229 N1230 M1233 A1254 L1255 F1260 A1261 L1262 A1271 G1274 L1275A1229-Y1258 HydrophobicContact CB-CD1 3.93Å; A1229-Y1258 HydrophobicContact CB-CD2 3.88Å; A1229-Y1258 HydrophobicContact CB-CE1 3.57Å; A1229-Y1258 HydrophobicContact CB-CE2 3.51Å; A1229-Y1258 HydrophobicContact CB-CG 4.06Å; N1230-Y1258 PolarHBondContact N-OH 3.22Å; N1230-Y1258 PolarHBondContact OD1-OH 2.79Å; M1233-Y1258 HydrophobicContact CE-CE2 4.41Å; M1233-Y1258 WeakPolarHBondContact CE-OH 3.38Å; M1233-Y1258 HydrophobicContact CG-CE2 4.41Å; M1233-Y1258 HydrophobicContact SD-CE2 3.81Å; A1254-Y1258 HydrophobicContact CB-CE2 4.36Å; A1254-Y1258 WeakPolarHBondContact O-CD2 3.49Å; A1254-Y1258 PolarHBondContact O-N 3.32Å; L1255-Y1258 PolarHBondContact O-N 3.4Å; Y1258-F1260 VanDerWaalsContact C-N 3.26Å; Y1258-F1260 PolarHBondContact O-N 3.33Å; Y1258-A1261 PolarHBondContact O-N 3.19Å; Y1258-L1262 WeakPolarHBondContact O-CG 3.49Å; Y1258-L1262 PolarHBondContact O-N 2.94Å; Y1258-A1271 HydrophobicContact CD1-CB 4.41Å; Y1258-G1274 VanDerWaalsContact CD2-C 3.49Å; Y1258-L1275 HydrophobicContact CG-CB 4.48Å
1259E89.8Confident86Confident79 Ų7955.1 Ų55.137%0.36927%0.268SS..Hα-helixtrans-57.7-40.4170.4-81.5-165.9-15700111.9L1255 K1263 L1275L1255-E1259 HydrophobicContact CD2-CG 4.36Å; L1255-E1259 WeakPolarHBondContact CD2-OE1 3.07Å; L1255-E1259 PolarHBondContact O-N 3.45Å; E1259-K1263 VanDerWaalsContact O-CD 3.25Å; E1259-K1263 WeakPolarHBondContact O-CD 3.47Å; E1259-K1263 WeakPolarHBondContact O-CG 3.39Å; E1259-K1263 PolarHBondContact O-N 3.27Å; E1259-K1263 VanDerWaalsContact O-N 3.13Å; E1259-K1263 IonicContact OE2-NZ 2.77Å; E1259-K1263 PolarHBondContact OE2-NZ 2.78Å; E1259-L1275 HydrophobicContact CG-CD1 4.19Å; E1259-L1275 HydrophobicContact CG-CD2 4.29Å
1260F89.2Confident86.1Confident81 Ų8151.2 Ų51.236%0.35525%0.252SS..Hα-helixtrans-66.4-43.9174.6-171.8-87.7000111.6H1225 S1256 V1257 Y1258 L1262 K1263 M1264H1225-F1260 AromaticContact CE1-CD1 3.46Å; H1225-F1260 VanDerWaalsContact CE1-CD1 3.46Å; H1225-F1260 WeakPolarHBondContact CE1-CD1 3.29Å; H1225-F1260 AromaticContact CE1-CE1 3.43Å; H1225-F1260 VanDerWaalsContact CE1-CE1 3.43Å; H1225-F1260 WeakPolarHBondContact CE1-CE1 3.38Å; H1225-F1260 AromaticContact ND1-CD1 3.7Å; H1225-F1260 AromaticContact NE2-CD1 3.72Å; H1225-F1260 AromaticContact NE2-CE1 3.41Å; H1225-F1260 WeakPolarHBondContact NE2-CE1 3.5Å; S1256-F1260 PolarHBondContact O-N 2.94Å; S1256-F1260 VanDerWaalsContact O-N 3.12Å; V1257-F1260 PolarHBondContact O-N 2.95Å; Y1258-F1260 VanDerWaalsContact C-N 3.26Å; Y1258-F1260 PolarHBondContact O-N 3.33Å; F1260-L1262 VanDerWaalsContact C-N 3.33Å; F1260-L1262 PolarHBondContact O-N 2.85Å; F1260-K1263 PolarHBondContact O-N 2.94Å; F1260-M1264 HydrophobicContact CD1-CG 4.15Å; F1260-M1264 HydrophobicContact CE1-CG 3.76Å; F1260-M1264 HydrophobicContact CE1-SD 4.18Å; F1260-M1264 HydrophobicContact CZ-CG 4.29Å; F1260-M1264 HydrophobicContact CZ-SD 4.18Å; F1260-M1264 WeakPolarHBondContact O-CG 3.34Å; F1260-M1264 PolarHBondContact O-N 3.34Å
1261A87.5Confident86.3Confident0 Ų050.5 Ų50.50%025%0.248CC..Hα-helixtrans-59.6-41177.400000112.6L1222 H1225 I1226 V1257 Y1258 M1264 D1265 A1271L1222-A1261 HydrophobicContact CD1-CB 3.83Å; L1222-A1261 VanDerWaalsContact CD1-O 3.27Å; L1222-A1261 WeakPolarHBondContact CD1-O 3.48Å; H1225-A1261 HydrophobicContact CB-CB 4.26Å; I1226-A1261 HydrophobicContact CG1-CB 4.05Å; V1257-A1261 WeakPolarHBondContact O-CB 3.47Å; V1257-A1261 PolarHBondContact O-N 2.75Å; Y1258-A1261 PolarHBondContact O-N 3.19Å; A1261-M1264 WeakPolarHBondContact O-CB 3.44Å; A1261-M1264 PolarHBondContact O-N 3.37Å; A1261-D1265 PolarHBondContact O-N 3.47Å; A1261-D1265 VanDerWaalsContact O-N 3.13Å; A1261-A1271 HydrophobicContact CB-CB 3.94Å
1262L86.3Confident86.5Confident17 Ų1748.7 Ų48.79%0.08924%0.241CC..Hα-helixtrans-71.3-32.5177.4-73.8159000113Y1258 F1260 M1264 D1265 E1266 A1271 L1275Y1258-L1262 WeakPolarHBondContact O-CG 3.49Å; Y1258-L1262 PolarHBondContact O-N 2.94Å; F1260-L1262 VanDerWaalsContact C-N 3.33Å; F1260-L1262 PolarHBondContact O-N 2.85Å; L1262-M1264 PolarHBondContact O-N 2.73Å; L1262-D1265 CarbonylContact O-C 3.54Å; L1262-D1265 VanDerWaalsContact O-C 3.29Å; L1262-D1265 PolarHBondContact O-N 2.95Å; L1262-E1266 WeakPolarHBondContact O-CA 3.21Å; L1262-E1266 PolarHBondContact O-N 2.76Å; L1262-A1271 HydrophobicContact CD2-CB 4.03Å; L1262-A1271 HydrophobicContact CG-CB 3.88Å; L1262-L1275 HydrophobicContact CD1-CB 3.99Å; L1262-L1275 HydrophobicContact CD1-CD2 3.45Å; L1262-L1275 VanDerWaalsContact CD1-CD2 3.45Å; L1262-L1275 HydrophobicContact CD1-CG 4.36Å
1263K86.6Confident86.6Confident141 Ų14146.2 Ų46.261%0.61323%0.228SC*.Hα-helixtrans-66.3-13170.8-70.7159.7-166.9159.20113.1E1259 F1260E1259-K1263 VanDerWaalsContact O-CD 3.25Å; E1259-K1263 WeakPolarHBondContact O-CD 3.47Å; E1259-K1263 WeakPolarHBondContact O-CG 3.39Å; E1259-K1263 PolarHBondContact O-N 3.27Å; E1259-K1263 VanDerWaalsContact O-N 3.13Å; E1259-K1263 IonicContact OE2-NZ 2.77Å; E1259-K1263 PolarHBondContact OE2-NZ 2.78Å; F1260-K1263 PolarHBondContact O-N 2.94Å
1264M84.1Confident86.5Confident80 Ų8042 Ų4239%0.39421%0.209SC..Hα-helixtrans-100.9-27.2177-63.2-68.2-71.500113.1N1220 L1222 F1260 A1261 L1262N1220-M1264 HydrophobicContact CB-CE 4.45Å; L1222-M1264 HydrophobicContact CD1-CB 4.35Å; F1260-M1264 HydrophobicContact CD1-CG 4.15Å; F1260-M1264 HydrophobicContact CE1-CG 3.76Å; F1260-M1264 HydrophobicContact CE1-SD 4.18Å; F1260-M1264 HydrophobicContact CZ-CG 4.29Å; F1260-M1264 HydrophobicContact CZ-SD 4.18Å; F1260-M1264 WeakPolarHBondContact O-CG 3.34Å; F1260-M1264 PolarHBondContact O-N 3.34Å; A1261-M1264 WeakPolarHBondContact O-CB 3.44Å; A1261-M1264 PolarHBondContact O-N 3.37Å; L1262-M1264 PolarHBondContact O-N 2.73Å
1265D82.2Confident86.6Confident61 Ų6142.4 Ų42.433%0.32621%0.211SC..  trans-154.295.3174.2-177.68.3000110.1L1222 A1261 L1262 L1267 N1268L1222-D1265 HydrophobicContact CD1-CB 4.44Å; L1222-D1265 HydrophobicContact CD2-CB 3.51Å; A1261-D1265 PolarHBondContact O-N 3.47Å; A1261-D1265 VanDerWaalsContact O-N 3.13Å; L1262-D1265 CarbonylContact O-C 3.54Å; L1262-D1265 VanDerWaalsContact O-C 3.29Å; L1262-D1265 PolarHBondContact O-N 2.95Å; D1265-L1267 PolarHBondContact O-N 3.18Å; D1265-L1267 VanDerWaalsContact O-N 3.16Å; D1265-L1267 PolarHBondContact OD1-N 3.19Å; D1265-N1268 HydrophobicContact CB-CB 4.15Å; D1265-N1268 WeakPolarHBondContact O-CB 3.2Å; D1265-N1268 PolarHBondContact O-N 2.69Å; D1265-N1268 VanDerWaalsContact O-N 3.12Å
1266E80Confident86.5Confident142 Ų14241.9 Ų41.966%0.66421%0.208SC*.THydrogen-bonded Turntrans-62.6-20.9-177.1-62.3176.4165.200112.8L1262 N1268L1262-E1266 WeakPolarHBondContact O-CA 3.21Å; L1262-E1266 PolarHBondContact O-N 2.76Å; E1266-N1268 VanDerWaalsContact C-N 3.34Å
1267L77.7Confident86.3Confident72 Ų7240.1 Ų40.138%0.37719%0.193SC..THydrogen-bonded Turntrans-86.8-1.7-179.9-58.9178.8000113.2D1265 L1269 I1298 Y1302D1265-L1267 PolarHBondContact O-N 3.18Å; D1265-L1267 VanDerWaalsContact O-N 3.16Å; D1265-L1267 PolarHBondContact OD1-N 3.19Å; L1267-L1269 PolarHBondContact O-N 3.09Å; L1267-L1269 VanDerWaalsContact O-N 3.07Å; L1267-I1298 HydrophobicContact CD2-CB 4.44Å; L1267-I1298 HydrophobicContact CD2-CG2 3.4Å; L1267-Y1302 HydrophobicContact CD1-CD2 4.45Å; L1267-Y1302 HydrophobicContact CD1-CE2 4.48Å
1268N83.9Confident86.1Confident29 Ų2939.3 Ų39.316%0.15519%0.189CC..  trans-80.596.8-171.1-167.4-20000113.5L1222 I1226 D1265 E1266 E1270 A1271 S1272L1222-N1268 WeakPolarHBondContact CD2-ND2 2.91Å; I1226-N1268 WeakPolarHBondContact CD1-ND2 3.27Å; D1265-N1268 HydrophobicContact CB-CB 4.15Å; D1265-N1268 WeakPolarHBondContact O-CB 3.2Å; D1265-N1268 PolarHBondContact O-N 2.69Å; D1265-N1268 VanDerWaalsContact O-N 3.12Å; E1266-N1268 VanDerWaalsContact C-N 3.34Å; N1268-E1270 VanDerWaalsContact C-N 3.32Å; N1268-E1270 PolarHBondContact O-N 3.37Å; N1268-E1270 PolarHBondContact OD1-N 2.85Å; N1268-A1271 HydrophobicContact CB-CB 4.26Å; N1268-A1271 PolarHBondContact O-N 3.36Å; N1268-A1271 VanDerWaalsContact O-N 3.15Å; N1268-S1272 PolarHBondContact O-N 3.13Å
1269L83.5Confident86Confident11 Ų1140 Ų406%0.05819%0.192CC..Hα-helixtrans-53.6-38.4176.1-64.5172.2000114L1267 A1271 S1272 I1273 Y1299 L1326 A1329L1267-L1269 PolarHBondContact O-N 3.09Å; L1267-L1269 VanDerWaalsContact O-N 3.07Å; L1269-A1271 VanDerWaalsContact C-N 3.32Å; L1269-A1271 PolarHBondContact O-N 3.07Å; L1269-S1272 PolarHBondContact O-N 3.38Å; L1269-I1273 WeakPolarHBondContact O-CB 3.45Å; L1269-I1273 WeakPolarHBondContact O-CD1 3.33Å; L1269-I1273 WeakPolarHBondContact O-CG1 3.46Å; L1269-I1273 PolarHBondContact O-N 3.04Å; L1269-Y1299 HydrophobicContact CD1-CD2 4.1Å; L1269-Y1299 HydrophobicContact CD1-CE2 3.99Å; L1269-L1326 HydrophobicContact CD1-CD1 4.4Å; L1269-A1329 HydrophobicContact CD2-CB 4.44Å
1270E84Confident85.8Confident58 Ų5836.9 Ų36.927%0.27118%0.178SC..Hα-helixtrans-67.6-34.9-179-166.8172.5-149.800111.2K163 I1226 N1268 G1274 L1325K163-E1270 IonicContact NZ-OE1 2.69Å; K163-E1270 PolarHBondContact NZ-OE1 3.19Å; I1226-E1270 HydrophobicContact CG2-CG 3.94Å; N1268-E1270 VanDerWaalsContact C-N 3.32Å; N1268-E1270 PolarHBondContact O-N 3.37Å; N1268-E1270 PolarHBondContact OD1-N 2.85Å; E1270-G1274 PolarHBondContact O-N 3.33Å; E1270-L1325 HydrophobicContact CB-CD2 4.19Å; E1270-L1325 HydrophobicContact CG-CD2 4.4Å
1271A86.8Confident85.2Confident0 Ų035.1 Ų35.10%017%0.173CC..Hα-helixtrans-74.2-37.6174.100000112.5I1226 Y1258 A1261 L1262 N1268 L1269 G1274 L1275I1226-A1271 HydrophobicContact CD1-CB 4.07Å; I1226-A1271 HydrophobicContact CG1-CB 4.14Å; Y1258-A1271 HydrophobicContact CD1-CB 4.41Å; A1261-A1271 HydrophobicContact CB-CB 3.94Å; L1262-A1271 HydrophobicContact CD2-CB 4.03Å; L1262-A1271 HydrophobicContact CG-CB 3.88Å; N1268-A1271 HydrophobicContact CB-CB 4.26Å; N1268-A1271 PolarHBondContact O-N 3.36Å; N1268-A1271 VanDerWaalsContact O-N 3.15Å; L1269-A1271 VanDerWaalsContact C-N 3.32Å; L1269-A1271 PolarHBondContact O-N 3.07Å; A1271-G1274 PolarHBondContact O-N 3.11Å; A1271-L1275 PolarHBondContact O-N 3.47Å
1272S89.1Confident85Confident0 Ų037.1 Ų37.10%018%0.184CC..Hα-helixtrans-66.8-40.7176.9-1660000112.5N1268 L1269 L1275 S1276 Q1291 T1295N1268-S1272 PolarHBondContact O-N 3.13Å; L1269-S1272 PolarHBondContact O-N 3.38Å; S1272-L1275 PolarHBondContact O-N 3.47Å; S1272-S1276 VanDerWaalsContact O-CB 3.27Å; S1272-S1276 WeakPolarHBondContact O-CB 3.35Å; S1272-S1276 PolarHBondContact O-N 2.93Å; S1272-S1276 PolarHBondContact O-OG 3.43Å; S1272-Q1291 PolarHBondContact OG-NE2 2.92Å; S1272-T1295 WeakPolarHBondContact CB-OG1 3.25Å; S1272-T1295 WeakPolarHBondContact OG-CB 3.21Å; S1272-T1295 WeakPolarHBondContact OG-CG2 3.45Å; S1272-T1295 PolarHBondContact OG-OG1 3.15Å
1273I87.9Confident84.7Confident17 Ų1739 Ų399%0.08721%0.208CC..Hα-helixtrans-58.6-50.7172.5-73.6163.8000110.1L1269 L1275 S1276 M1277 I1292 D1328 A1329L1269-I1273 WeakPolarHBondContact O-CB 3.45Å; L1269-I1273 WeakPolarHBondContact O-CD1 3.33Å; L1269-I1273 WeakPolarHBondContact O-CG1 3.46Å; L1269-I1273 PolarHBondContact O-N 3.04Å; I1273-L1275 PolarHBondContact O-N 3.43Å; I1273-S1276 PolarHBondContact O-N 3.5Å; I1273-M1277 HydrophobicContact CG2-CE 3.9Å; I1273-M1277 HydrophobicContact CG2-SD 4.31Å; I1273-M1277 WeakPolarHBondContact O-CG 3.47Å; I1273-M1277 PolarHBondContact O-N 2.86Å; I1273-I1292 HydrophobicContact CG1-CD1 4.37Å; I1273-D1328 HydrophobicContact CD1-CB 4.05Å; I1273-A1329 HydrophobicContact CD1-CB 4.06Å; I1273-A1329 HydrophobicContact CG1-CB 4.18Å
1274G86.2Confident84.7Confident2 Ų238.1 Ų38.12%0.02120%0.2CC..Hα-helixtrans-59.9-45.2178.600000113.6Y1258 E1270 A1271 S1276 M1277 C1278Y1258-G1274 VanDerWaalsContact CD2-C 3.49Å; E1270-G1274 PolarHBondContact O-N 3.33Å; A1271-G1274 PolarHBondContact O-N 3.11Å; G1274-S1276 PolarHBondContact O-N 3.38Å; G1274-M1277 PolarHBondContact O-N 3.36Å; G1274-C1278 PolarHBondContact O-N 3.03Å; G1274-C1278 PolarHBondContact O-SG 3.27Å
1275L90.1Very high84.9Confident9 Ų936.1 Ų36.15%0.04719%0.191CC..Hα-helixtrans-61.7-43.7174.8-176.955.8000111.7L1255 Y1258 E1259 L1262 A1271 S1272 I1273 M1277 C1278 L1279 Q1291L1255-L1275 HydrophobicContact CD1-CD1 4.46Å; L1255-L1275 HydrophobicContact CG-CD1 3.82Å; Y1258-L1275 HydrophobicContact CG-CB 4.48Å; E1259-L1275 HydrophobicContact CG-CD1 4.19Å; E1259-L1275 HydrophobicContact CG-CD2 4.29Å; L1262-L1275 HydrophobicContact CD1-CB 3.99Å; L1262-L1275 HydrophobicContact CD1-CD2 3.45Å; L1262-L1275 VanDerWaalsContact CD1-CD2 3.45Å; L1262-L1275 HydrophobicContact CD1-CG 4.36Å; A1271-L1275 PolarHBondContact O-N 3.47Å; S1272-L1275 PolarHBondContact O-N 3.47Å; I1273-L1275 PolarHBondContact O-N 3.43Å; L1275-M1277 PolarHBondContact O-N 2.83Å; L1275-C1278 PolarHBondContact O-N 3.29Å; L1275-L1279 HydrophobicContact CD1-CD1 4.21Å; L1275-L1279 HydrophobicContact CD1-CG 4.24Å; L1275-L1279 HydrophobicContact CG-CD1 3.97Å; L1275-L1279 HydrophobicContact CG-CG 4.45Å; L1275-L1279 WeakPolarHBondContact O-CB 3.22Å; L1275-L1279 WeakPolarHBondContact O-CG 3.07Å; L1275-L1279 PolarHBondContact O-N 2.94Å; L1275-Q1291 HydrophobicContact CD2-CG 3.93Å; L1275-Q1291 HydrophobicContact CG-CG 4.3Å
1276S88.6Confident85.4Confident0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-64.7-40.3-179.7-57.20000111.6S1272 I1273 G1274 L1279 Q1280S1272-S1276 VanDerWaalsContact O-CB 3.27Å; S1272-S1276 WeakPolarHBondContact O-CB 3.35Å; S1272-S1276 PolarHBondContact O-N 2.93Å; S1272-S1276 PolarHBondContact O-OG 3.43Å; I1273-S1276 PolarHBondContact O-N 3.5Å; G1274-S1276 PolarHBondContact O-N 3.38Å; S1276-L1279 PolarHBondContact O-N 3.36Å; S1276-Q1280 VanDerWaalsContact O-CB 3.25Å; S1276-Q1280 WeakPolarHBondContact O-CB 3.26Å; S1276-Q1280 PolarHBondContact O-N 3.01Å
1277M86.6Confident85.8Confident27 Ų2734.4 Ų34.413%0.13319%0.186CC..Hα-helixtrans-63.3-42.8171.8-71.9-175.6176.900112.1I1273 G1274 L1275 Q1280 V1281 C1332I1273-M1277 HydrophobicContact CG2-CE 3.9Å; I1273-M1277 HydrophobicContact CG2-SD 4.31Å; I1273-M1277 WeakPolarHBondContact O-CG 3.47Å; I1273-M1277 PolarHBondContact O-N 2.86Å; G1274-M1277 PolarHBondContact O-N 3.36Å; L1275-M1277 PolarHBondContact O-N 2.83Å; M1277-Q1280 WeakPolarHBondContact O-CB 3.42Å; M1277-Q1280 PolarHBondContact O-N 2.79Å; M1277-V1281 WeakPolarHBondContact O-CG2 3.49Å; M1277-V1281 PolarHBondContact O-N 2.89Å; M1277-C1332 VanDerWaalsContact CE-SG 3.56Å
1278C86.7Confident86.4Confident0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-61.2-46.9175.7-67.60000111.9M1233 W1251 L1255 G1274 L1275 Q1280 V1281 L1282M1233-C1278 VanDerWaalsContact SD-SG 3.68Å; W1251-C1278 HydrophobicContact CE3-CB 4.27Å; L1255-C1278 HydrophobicContact CB-CB 4.11Å; G1274-C1278 PolarHBondContact O-N 3.03Å; G1274-C1278 PolarHBondContact O-SG 3.27Å; L1275-C1278 PolarHBondContact O-N 3.29Å; C1278-Q1280 VanDerWaalsContact C-N 3.31Å; C1278-Q1280 PolarHBondContact O-N 3.05Å; C1278-V1281 PolarHBondContact O-N 2.85Å; C1278-L1282 WeakPolarHBondContact O-CB 3.28Å; C1278-L1282 VanDerWaalsContact O-CG 3.28Å; C1278-L1282 WeakPolarHBondContact O-CG 3.4Å; C1278-L1282 PolarHBondContact O-N 3.12Å
1279L88.4Confident86.7Confident15 Ų1531 Ų318%0.07917%0.169CC..Hα-helixtrans-62.7-38.3176.9-71.5169000111.8L1255 L1275 S1276 L1282 G1283 R1284 D1287 A1288 Q1291L1255-L1279 HydrophobicContact CD1-CD2 3.75Å; L1255-L1279 HydrophobicContact CD1-CG 4.3Å; L1275-L1279 HydrophobicContact CD1-CD1 4.21Å; L1275-L1279 HydrophobicContact CD1-CG 4.24Å; L1275-L1279 HydrophobicContact CG-CD1 3.97Å; L1275-L1279 HydrophobicContact CG-CG 4.45Å; L1275-L1279 WeakPolarHBondContact O-CB 3.22Å; L1275-L1279 WeakPolarHBondContact O-CG 3.07Å; L1275-L1279 PolarHBondContact O-N 2.94Å; S1276-L1279 PolarHBondContact O-N 3.36Å; L1279-L1282 CarbonylContact O-C 3.38Å; L1279-L1282 PolarHBondContact O-N 3.39Å; L1279-G1283 PolarHBondContact O-N 3.3Å; L1279-R1284 HydrophobicContact CB-CB 4.37Å; L1279-R1284 HydrophobicContact CD2-CB 4.12Å; L1279-R1284 WeakPolarHBondContact O-CA 3.45Å; L1279-R1284 PolarHBondContact O-N 3.45Å; L1279-D1287 HydrophobicContact CD1-CB 4.38Å; L1279-D1287 HydrophobicContact CD2-CB 4.5Å; L1279-A1288 HydrophobicContact CB-CB 3.75Å; L1279-Q1291 HydrophobicContact CD1-CB 4.48Å
1280Q85.6Confident87.1Confident13 Ų1336.4 Ų36.46%0.06119%0.191CC..Hα-helixtrans-62.7-47.7174.9-172.8-1623.400112.1S1276 M1277 C1278 L1282 G1283 L1285 I1335 I1336 Q1339S1276-Q1280 VanDerWaalsContact O-CB 3.25Å; S1276-Q1280 WeakPolarHBondContact O-CB 3.26Å; S1276-Q1280 PolarHBondContact O-N 3.01Å; M1277-Q1280 WeakPolarHBondContact O-CB 3.42Å; M1277-Q1280 PolarHBondContact O-N 2.79Å; C1278-Q1280 VanDerWaalsContact C-N 3.31Å; C1278-Q1280 PolarHBondContact O-N 3.05Å; Q1280-L1282 VanDerWaalsContact C-N 3.29Å; Q1280-L1282 PolarHBondContact O-N 2.92Å; Q1280-G1283 PolarHBondContact O-N 2.84Å; Q1280-L1285 HydrophobicContact CG-CD2 3.98Å; Q1280-I1335 VanDerWaalsContact NE2-CG2 3.27Å; Q1280-I1336 HydrophobicContact CG-CG1 4.48Å; Q1280-Q1339 VanDerWaalsContact CG-OE1 3.22Å
1281V78.4Confident87.3Confident44 Ų4435.7 Ų35.727%0.26719%0.188SC..Hα-helixtrans-63.2-37.4177.7177.50000111N153 W1251 M1277 C1278 G1283N153-V1281 VanDerWaalsContact ND2-CG2 3.29Å; N153-V1281 WeakPolarHBondContact ND2-CG2 3.44Å; W1251-V1281 HydrophobicContact CD2-CB 4.26Å; W1251-V1281 HydrophobicContact CD2-CG1 3.84Å; W1251-V1281 HydrophobicContact CE3-CB 4.15Å; W1251-V1281 HydrophobicContact CE3-CG1 4.25Å; W1251-V1281 HydrophobicContact CE3-CG2 4.21Å; W1251-V1281 HydrophobicContact CG-CG1 4.23Å; W1251-V1281 HydrophobicContact CH2-CB 4.49Å; W1251-V1281 HydrophobicContact CH2-CG2 3.76Å; W1251-V1281 HydrophobicContact CZ2-CG1 4.15Å; W1251-V1281 HydrophobicContact CZ2-CG2 4.11Å; W1251-V1281 HydrophobicContact CZ3-CB 4.26Å; W1251-V1281 HydrophobicContact CZ3-CG2 3.81Å; M1277-V1281 WeakPolarHBondContact O-CG2 3.49Å; M1277-V1281 PolarHBondContact O-N 2.89Å; C1278-V1281 PolarHBondContact O-N 2.85Å; V1281-G1283 PolarHBondContact O-N 3.49Å
1282L81.6Confident87.4Confident42 Ų4235.7 Ų35.722%0.2219%0.188CC..THydrogen-bonded Turntrans-78.110175-65.1169.7000113.8W1251 L1255 C1278 L1279 Q1280 R1284W1251-L1282 HydrophobicContact CB-CD2 4.16Å; W1251-L1282 HydrophobicContact CB-CG 4.46Å; L1255-L1282 HydrophobicContact CD1-CD1 3.6Å; C1278-L1282 WeakPolarHBondContact O-CB 3.28Å; C1278-L1282 VanDerWaalsContact O-CG 3.28Å; C1278-L1282 WeakPolarHBondContact O-CG 3.4Å; C1278-L1282 PolarHBondContact O-N 3.12Å; L1279-L1282 CarbonylContact O-C 3.38Å; L1279-L1282 PolarHBondContact O-N 3.39Å; Q1280-L1282 VanDerWaalsContact C-N 3.29Å; Q1280-L1282 PolarHBondContact O-N 2.92Å; L1282-R1284 PolarHBondContact O-N 3.48Å
1283G80.9Confident87.4Confident57 Ų5737 Ų3759%0.58820%0.196SC*.THydrogen-bonded Turntrans73.52.4176.800000115.7L1279 Q1280 V1281 L1285L1279-G1283 PolarHBondContact O-N 3.3Å; Q1280-G1283 PolarHBondContact O-N 2.84Å; V1281-G1283 PolarHBondContact O-N 3.49Å; G1283-L1285 PolarHBondContact O-N 2.95Å
1284R87.6Confident87.4Confident122 Ų12241.5 Ų41.546%0.4622%0.216SC..  trans-83.653-177.5-57.6-171.1-172.6169.33.7112L1279 L1282 N1286 D1287 A1288L1279-R1284 HydrophobicContact CB-CB 4.37Å; L1279-R1284 HydrophobicContact CD2-CB 4.12Å; L1279-R1284 WeakPolarHBondContact O-CA 3.45Å; L1279-R1284 PolarHBondContact O-N 3.45Å; L1282-R1284 PolarHBondContact O-N 3.48Å; R1284-N1286 VanDerWaalsContact C-N 3.27Å; R1284-N1286 PolarHBondContact O-N 3.2Å; R1284-D1287 HydrophobicContact CB-CB 4.32Å; R1284-D1287 PolarHBondContact O-N 3.3Å; R1284-A1288 PolarHBondContact O-N 3.06Å
1285L88.1Confident87.3Confident38 Ų3841.7 Ų41.720%0.19922%0.218CC..Hα-helixtrans-54.2-39.7-173.2-60.1-179.8000113.5Q1280 G1283 D1287 L1289 Q1339 L1340Q1280-L1285 HydrophobicContact CG-CD2 3.98Å; G1283-L1285 PolarHBondContact O-N 2.95Å; L1285-D1287 VanDerWaalsContact C-N 3.33Å; L1285-D1287 PolarHBondContact O-N 2.89Å; L1285-L1289 WeakPolarHBondContact O-CB 3.23Å; L1285-L1289 PolarHBondContact O-N 3.27Å; L1285-Q1339 HydrophobicContact CD1-CB 3.85Å; L1285-Q1339 HydrophobicContact CD2-CB 4.2Å; L1285-Q1339 VanDerWaalsContact CD2-OE1 3.3Å; L1285-L1340 HydrophobicContact CB-CD1 4.47Å; L1285-L1340 HydrophobicContact CB-CD2 3.79Å; L1285-L1340 HydrophobicContact CB-CG 4.13Å; L1285-L1340 HydrophobicContact CD1-CD2 4.06Å; L1285-L1340 HydrophobicContact CD1-CG 4.41Å
1286N91.4Very high87Confident101 Ų10141.3 Ų41.354%0.5422%0.215SC..Hα-helixtrans-66.7-32.8178.4-73.5-33.1000112.9R1284 K1290R1284-N1286 VanDerWaalsContact C-N 3.27Å; R1284-N1286 PolarHBondContact O-N 3.2Å; N1286-K1290 VanDerWaalsContact O-CG 3.26Å; N1286-K1290 WeakPolarHBondContact O-CG 3.2Å; N1286-K1290 PolarHBondContact O-N 3.1Å; N1286-K1290 VanDerWaalsContact O-N 3.12Å
1287D89.8Confident86.8Confident66 Ų6645.3 Ų45.335%0.35324%0.237SC..Hα-helixtrans-82.8-36178.8-58.7-37.1000111.1L1279 R1284 L1285 L1289 K1290 Q1291L1279-D1287 HydrophobicContact CD1-CB 4.38Å; L1279-D1287 HydrophobicContact CD2-CB 4.5Å; R1284-D1287 HydrophobicContact CB-CB 4.32Å; R1284-D1287 PolarHBondContact O-N 3.3Å; L1285-D1287 VanDerWaalsContact C-N 3.33Å; L1285-D1287 PolarHBondContact O-N 2.89Å; D1287-L1289 VanDerWaalsContact C-N 3.29Å; D1287-L1289 PolarHBondContact O-N 2.86Å; D1287-K1290 PolarHBondContact O-N 2.99Å; D1287-K1290 IonicContact OD1-NZ 3.46Å; D1287-K1290 PolarHBondContact OD1-NZ 3.33Å; D1287-Q1291 WeakPolarHBondContact O-CB 3.12Å; D1287-Q1291 PolarHBondContact O-N 2.72Å
1288A89.4Confident86.5Confident0 Ų046.1 Ų46.10%024%0.241CC..Hα-helixtrans-57.1-43.8168.100000111.3L1279 R1284 Q1291 I1292 I1336L1279-A1288 HydrophobicContact CB-CB 3.75Å; R1284-A1288 PolarHBondContact O-N 3.06Å; A1288-Q1291 PolarHBondContact O-N 3.48Å; A1288-I1292 WeakPolarHBondContact O-CG2 3.43Å; A1288-I1292 PolarHBondContact O-N 2.92Å; A1288-I1336 HydrophobicContact CB-CD1 3.69Å; A1288-I1336 HydrophobicContact CB-CG1 4.3Å
1289L91.1Very high85.9Confident30 Ų3046.9 Ų46.916%0.15724%0.244CC..Hα-helixtrans-63.4-47.6175.9-174.1150.2000112L1285 D1287 Q1291 T1293 I1336 Y1337 L1340L1285-L1289 WeakPolarHBondContact O-CB 3.23Å; L1285-L1289 PolarHBondContact O-N 3.27Å; D1287-L1289 VanDerWaalsContact C-N 3.29Å; D1287-L1289 PolarHBondContact O-N 2.86Å; L1289-Q1291 VanDerWaalsContact C-N 3.31Å; L1289-Q1291 PolarHBondContact O-N 3.16Å; L1289-T1293 HydrophobicContact CD2-CG2 3.97Å; L1289-T1293 HydrophobicContact CG-CG2 4.27Å; L1289-T1293 VanDerWaalsContact O-CB 3.32Å; L1289-T1293 WeakPolarHBondContact O-CB 3.41Å; L1289-T1293 VanDerWaalsContact O-CG2 3.29Å; L1289-T1293 WeakPolarHBondContact O-CG2 3.41Å; L1289-T1293 PolarHBondContact O-N 3.04Å; L1289-T1293 PolarHBondContact O-OG1 2.91Å; L1289-I1336 HydrophobicContact CB-CG2 3.89Å; L1289-I1336 HydrophobicContact CD1-CG2 4.45Å; L1289-Y1337 HydrophobicContact CD1-CD1 3.88Å; L1289-Y1337 HydrophobicContact CD1-CE1 3.64Å; L1289-L1340 HydrophobicContact CB-CD1 4.3Å; L1289-L1340 HydrophobicContact CD1-CD1 3.45Å; L1289-L1340 VanDerWaalsContact CD1-CD1 3.45Å
1290K90.3Very high85.2Confident124 Ų12451 Ų5154%0.53926%0.259SS..Hα-helixtrans-56.3-46.6175.8-71.6166-158.7163.10111N1286 D1287 T1293 H1294N1286-K1290 VanDerWaalsContact O-CG 3.26Å; N1286-K1290 WeakPolarHBondContact O-CG 3.2Å; N1286-K1290 PolarHBondContact O-N 3.1Å; N1286-K1290 VanDerWaalsContact O-N 3.12Å; D1287-K1290 PolarHBondContact O-N 2.99Å; D1287-K1290 IonicContact OD1-NZ 3.46Å; D1287-K1290 PolarHBondContact OD1-NZ 3.33Å; K1290-T1293 WeakPolarHBondContact CA-OG1 3.12Å; K1290-T1293 PolarHBondContact O-OG1 2.95Å; K1290-T1293 VanDerWaalsContact O-OG1 3.04Å; K1290-H1294 WeakPolarHBondContact O-CB 3.08Å; K1290-H1294 PolarHBondContact O-N 3.13Å
1291Q87.9Confident84.4Confident42 Ų4255.2 Ų55.220%0.19628%0.282CS..Hα-helixtrans-63.2-52.5-177.6-177.45834.100111.9S1272 L1275 L1279 D1287 A1288 L1289 T1293 H1294 T1295S1272-Q1291 PolarHBondContact OG-NE2 2.92Å; L1275-Q1291 HydrophobicContact CD2-CG 3.93Å; L1275-Q1291 HydrophobicContact CG-CG 4.3Å; L1279-Q1291 HydrophobicContact CD1-CB 4.48Å; D1287-Q1291 WeakPolarHBondContact O-CB 3.12Å; D1287-Q1291 PolarHBondContact O-N 2.72Å; A1288-Q1291 PolarHBondContact O-N 3.48Å; L1289-Q1291 VanDerWaalsContact C-N 3.31Å; L1289-Q1291 PolarHBondContact O-N 3.16Å; Q1291-T1293 PolarHBondContact O-N 3.23Å; Q1291-H1294 PolarHBondContact O-N 2.67Å; Q1291-T1295 PolarHBondContact O-N 3.02Å; Q1291-T1295 VanDerWaalsContact O-N 3.07Å; Q1291-T1295 PolarHBondContact O-OG1 2.83Å
1292I88.9Confident83.8Confident0 Ų058 Ų580%029%0.289CS..Hα-helixtrans-68.3-38.1-177.3-161.164.6000111.7I1273 A1288 T1295 L1296 A1329 R1333 I1336I1273-I1292 HydrophobicContact CG1-CD1 4.37Å; A1288-I1292 WeakPolarHBondContact O-CG2 3.43Å; A1288-I1292 PolarHBondContact O-N 2.92Å; I1292-T1295 PolarHBondContact O-OG1 3.12Å; I1292-L1296 HydrophobicContact CG1-CD1 4.2Å; I1292-L1296 WeakPolarHBondContact O-CB 3.4Å; I1292-L1296 WeakPolarHBondContact O-CG 3.34Å; I1292-L1296 PolarHBondContact O-N 3.35Å; I1292-A1329 HydrophobicContact CD1-CB 4.23Å; I1292-R1333 HydrophobicContact CG1-CB 4.11Å; I1292-R1333 HydrophobicContact CG2-CB 3.75Å; I1292-R1333 HydrophobicContact CG2-CG 3.75Å; I1292-I1336 HydrophobicContact CG2-CD1 4.21Å
1293T90.4Very high83Confident29 Ų2959.9 Ų59.918%0.17830%0.296CS..Hα-helixtrans-64.2-44.5174.551.50000111.9L1289 K1290 Q1291 T1295 L1296 N1297L1289-T1293 HydrophobicContact CD2-CG2 3.97Å; L1289-T1293 HydrophobicContact CG-CG2 4.27Å; L1289-T1293 VanDerWaalsContact O-CB 3.32Å; L1289-T1293 WeakPolarHBondContact O-CB 3.41Å; L1289-T1293 VanDerWaalsContact O-CG2 3.29Å; L1289-T1293 WeakPolarHBondContact O-CG2 3.41Å; L1289-T1293 PolarHBondContact O-N 3.04Å; L1289-T1293 PolarHBondContact O-OG1 2.91Å; K1290-T1293 WeakPolarHBondContact CA-OG1 3.12Å; K1290-T1293 PolarHBondContact O-OG1 2.95Å; K1290-T1293 VanDerWaalsContact O-OG1 3.04Å; Q1291-T1293 PolarHBondContact O-N 3.23Å; T1293-T1295 PolarHBondContact O-N 3.02Å; T1293-L1296 PolarHBondContact O-N 2.62Å; T1293-N1297 WeakPolarHBondContact O-CB 3.38Å; T1293-N1297 PolarHBondContact O-N 3.18Å; T1293-N1297 PolarHBondContact O-OD1 3.27Å; T1293-N1297 VanDerWaalsContact O-OD1 3.13Å
1294H86.8Confident82Confident110 Ų11064.1 Ų64.151%0.50930%0.301SS..Hα-helixtrans-57.8-49.7176.8-178.647.9000111.8K1290 Q1291 L1296 N1297 I1298K1290-H1294 WeakPolarHBondContact O-CB 3.08Å; K1290-H1294 PolarHBondContact O-N 3.13Å; Q1291-H1294 PolarHBondContact O-N 2.67Å; H1294-L1296 PolarHBondContact O-N 2.63Å; H1294-N1297 PolarHBondContact O-N 3.08Å; H1294-I1298 WeakPolarHBondContact O-CG1 3.06Å; H1294-I1298 PolarHBondContact O-N 3.01Å
1295T84.1Confident80.6Confident7 Ų762.5 Ų62.54%0.04331%0.308CS..Hα-helixtrans-70.1-30.8-179.955.50000113.9S1272 Q1291 I1292 T1293 Y1299S1272-T1295 WeakPolarHBondContact CB-OG1 3.25Å; S1272-T1295 WeakPolarHBondContact OG-CB 3.21Å; S1272-T1295 WeakPolarHBondContact OG-CG2 3.45Å; S1272-T1295 PolarHBondContact OG-OG1 3.15Å; Q1291-T1295 PolarHBondContact O-N 3.02Å; Q1291-T1295 VanDerWaalsContact O-N 3.07Å; Q1291-T1295 PolarHBondContact O-OG1 2.83Å; I1292-T1295 PolarHBondContact O-OG1 3.12Å; T1293-T1295 PolarHBondContact O-N 3.02Å; T1295-Y1299 WeakPolarHBondContact O-CB 3.47Å; T1295-Y1299 PolarHBondContact O-N 3.02Å; T1295-Y1299 VanDerWaalsContact O-N 3.16Å
1296L85.4Confident79Confident0 Ų062.6 Ų62.60%031%0.309CS..Hα-helixtrans-68.8-39.1171.8-76.4169.6000111.5I1292 T1293 H1294 Y1299 Y1300 L1326 A1329 Y1330 R1333I1292-L1296 HydrophobicContact CG1-CD1 4.2Å; I1292-L1296 WeakPolarHBondContact O-CB 3.4Å; I1292-L1296 WeakPolarHBondContact O-CG 3.34Å; I1292-L1296 PolarHBondContact O-N 3.35Å; T1293-L1296 PolarHBondContact O-N 2.62Å; H1294-L1296 PolarHBondContact O-N 2.63Å; L1296-Y1299 PolarHBondContact O-N 3.23Å; L1296-Y1300 VanDerWaalsContact O-CD2 3.26Å; L1296-Y1300 WeakPolarHBondContact O-CD2 3.4Å; L1296-Y1300 PolarHBondContact O-N 3.34Å; L1296-L1326 HydrophobicContact CD2-CD1 3.88Å; L1296-A1329 HydrophobicContact CD2-CB 3.95Å; L1296-Y1330 HydrophobicContact CD1-CD1 3.99Å; L1296-Y1330 HydrophobicContact CD1-CE1 3.9Å; L1296-Y1330 HydrophobicContact CD2-CD1 4.4Å; L1296-Y1330 HydrophobicContact CD2-CE1 3.91Å; L1296-Y1330 HydrophobicContact CD2-CE2 4.35Å; L1296-Y1330 HydrophobicContact CG-CE1 4.47Å; L1296-R1333 HydrophobicContact CD1-CB 4.35Å
1297N84.5Confident76.9Confident84 Ų8460.8 Ų60.845%0.44930%0.304SS..Hα-helixtrans-65.3-50.9178-70.38.2000111.7T1293 H1294 Y1299 Y1300 D1301T1293-N1297 WeakPolarHBondContact O-CB 3.38Å; T1293-N1297 PolarHBondContact O-N 3.18Å; T1293-N1297 PolarHBondContact O-OD1 3.27Å; T1293-N1297 VanDerWaalsContact O-OD1 3.13Å; H1294-N1297 PolarHBondContact O-N 3.08Å; N1297-Y1299 PolarHBondContact O-N 3.19Å; N1297-Y1300 WeakPolarHBondContact O-CA 3.49Å; N1297-Y1300 WeakPolarHBondContact O-CB 3.4Å; N1297-Y1300 PolarHBondContact O-N 2.93Å; N1297-D1301 VanDerWaalsContact O-CG 3.28Å; N1297-D1301 PolarHBondContact O-N 3.14Å
1298I79.9Confident74.6Confident45 Ų4565 Ų6523%0.23133%0.327CS..Hα-helixtrans-57.4-38.4176.4-57.3158.6000110.5L1267 H1294 D1301 Y1302L1267-I1298 HydrophobicContact CD2-CB 4.44Å; L1267-I1298 HydrophobicContact CD2-CG2 3.4Å; H1294-I1298 WeakPolarHBondContact O-CG1 3.06Å; H1294-I1298 PolarHBondContact O-N 3.01Å; I1298-D1301 PolarHBondContact O-N 3.13Å; I1298-Y1302 VanDerWaalsContact O-CB 3.3Å; I1298-Y1302 WeakPolarHBondContact O-CB 3.43Å; I1298-Y1302 PolarHBondContact O-N 3.41Å
1299Y74.5Confident72.3Confident16 Ų1670 Ų706%0.06335%0.35CS..Hα-helixtrans-67.8-35.3178.2-177.3-92.3000112.9L1269 T1295 L1296 N1297 Q1303 H1322 L1326L1269-Y1299 HydrophobicContact CD1-CD2 4.1Å; L1269-Y1299 HydrophobicContact CD1-CE2 3.99Å; T1295-Y1299 WeakPolarHBondContact O-CB 3.47Å; T1295-Y1299 PolarHBondContact O-N 3.02Å; T1295-Y1299 VanDerWaalsContact O-N 3.16Å; L1296-Y1299 PolarHBondContact O-N 3.23Å; N1297-Y1299 PolarHBondContact O-N 3.19Å; Y1299-Q1303 HydrophobicContact CE1-CG 4.27Å; Y1299-Q1303 VanDerWaalsContact CZ-NE2 3.34Å; Y1299-Q1303 WeakPolarHBondContact O-CG 3.39Å; Y1299-Q1303 PolarHBondContact O-N 3.42Å; Y1299-Q1303 VanDerWaalsContact O-N 3.14Å; Y1299-Q1303 PolarHBondContact OH-NE2 2.96Å; Y1299-Q1303 VanDerWaalsContact OH-NE2 3.09Å; Y1299-H1322 AromaticContact CE2-CE1 3.76Å; Y1299-H1322 PolarHBondContact OH-CE1 3.05Å; Y1299-H1322 PolarHBondContact OH-NE2 3.28Å; Y1299-L1326 HydrophobicContact CD1-CD1 3.72Å; Y1299-L1326 HydrophobicContact CE1-CD1 3.46Å; Y1299-L1326 VanDerWaalsContact CE1-CD1 3.46Å; Y1299-L1326 HydrophobicContact CE1-CD2 3.65Å; Y1299-L1326 HydrophobicContact CE1-CG 4.11Å
1300Y71.8Confident69.7Low100 Ų10071.7 Ų71.739%0.39236%0.357SS..Hα-helixtrans-63.9-51168.7-89-68.1000111.7L1296 N1297 Y1302 Q1303 E1304 Y1330L1296-Y1300 VanDerWaalsContact O-CD2 3.26Å; L1296-Y1300 WeakPolarHBondContact O-CD2 3.4Å; L1296-Y1300 PolarHBondContact O-N 3.34Å; N1297-Y1300 WeakPolarHBondContact O-CA 3.49Å; N1297-Y1300 WeakPolarHBondContact O-CB 3.4Å; N1297-Y1300 PolarHBondContact O-N 2.93Å; Y1300-Y1302 PolarHBondContact O-N 2.91Å; Y1300-Q1303 WeakPolarHBondContact O-CA 3.43Å; Y1300-Q1303 WeakPolarHBondContact O-CB 3.39Å; Y1300-Q1303 PolarHBondContact O-N 2.95Å; Y1300-E1304 PolarHBondContact O-N 3.23Å; Y1300-Y1330 HydrophobicContact CE2-CE1 4.49Å; Y1300-Y1330 WeakPolarHBondContact CE2-OH 3.1Å; Y1300-Y1330 PolarHBondContact OH-OH 3.44Å
1301D69.4Low67Low102 Ų10273.1 Ų73.155%0.54537%0.368SS..Hα-helixtrans-56-38.6178.7-59.7-27.7000111.3N1297 I1298 S1305N1297-D1301 VanDerWaalsContact O-CG 3.28Å; N1297-D1301 PolarHBondContact O-N 3.14Å; I1298-D1301 PolarHBondContact O-N 3.13Å; D1301-S1305 WeakPolarHBondContact O-CB 3.26Å; D1301-S1305 PolarHBondContact O-N 2.9Å; D1301-S1305 VanDerWaalsContact O-N 3.08Å; D1301-S1305 PolarHBondContact O-OG 3.21Å
1302Y66.4Low64.3Low103 Ų10374.7 Ų74.740%0.40440%0.396SS..Hα-helixtrans-69.8-30.2175.7-169.6-94.8000113.3L1267 I1298 Y1300 S1305 N1306 F1310L1267-Y1302 HydrophobicContact CD1-CD2 4.45Å; L1267-Y1302 HydrophobicContact CD1-CE2 4.48Å; I1298-Y1302 VanDerWaalsContact O-CB 3.3Å; I1298-Y1302 WeakPolarHBondContact O-CB 3.43Å; I1298-Y1302 PolarHBondContact O-N 3.41Å; Y1300-Y1302 PolarHBondContact O-N 2.91Å; Y1302-S1305 WeakPolarHBondContact CA-OG 3.45Å; Y1302-S1305 PolarHBondContact O-OG 3.08Å; Y1302-N1306 WeakPolarHBondContact CE2-ND2 3.38Å; Y1302-N1306 WeakPolarHBondContact O-CB 3.39Å; Y1302-N1306 PolarHBondContact O-N 3.03Å; Y1302-N1306 PolarHBondContact O-ND2 3.29Å; Y1302-F1310 HydrophobicContact CE1-CE2 4.28Å; Y1302-F1310 AromaticContact CE1-CZ 3.93Å; Y1302-F1310 HydrophobicContact CE1-CZ 3.93Å
1303Q63.8Low61.6Low81 Ų8180.3 Ų80.338%0.37942%0.42SS..Hα-helixtrans-74.7-43.3173.1-74.9-164.7-2.200112.4Y1299 Y1300 S1307Y1299-Q1303 HydrophobicContact CE1-CG 4.27Å; Y1299-Q1303 VanDerWaalsContact CZ-NE2 3.34Å; Y1299-Q1303 WeakPolarHBondContact O-CG 3.39Å; Y1299-Q1303 PolarHBondContact O-N 3.42Å; Y1299-Q1303 VanDerWaalsContact O-N 3.14Å; Y1299-Q1303 PolarHBondContact OH-NE2 2.96Å; Y1299-Q1303 VanDerWaalsContact OH-NE2 3.09Å; Y1300-Q1303 WeakPolarHBondContact O-CA 3.43Å; Y1300-Q1303 WeakPolarHBondContact O-CB 3.39Å; Y1300-Q1303 PolarHBondContact O-N 2.95Å; Q1303-S1307 PolarHBondContact O-N 3.42Å
1304E60.1Low58.8Low147 Ų14783 Ų8369%0.68743%0.43SS*.Hα-helixtrans-64.8-48179.6-65.7-160.7160.500111.6Y1300 N1306 S1307Y1300-E1304 PolarHBondContact O-N 3.23Å; E1304-N1306 VanDerWaalsContact C-N 3.32Å; E1304-N1306 PolarHBondContact O-N 2.82Å; E1304-S1307 VanDerWaalsContact O-CB 3.26Å; E1304-S1307 WeakPolarHBondContact O-CB 3.37Å; E1304-S1307 PolarHBondContact O-N 3.49Å; E1304-S1307 PolarHBondContact O-OG 3.48Å
1305S59.3Low55.9Low87 Ų8787.1 Ų87.161%0.60845%0.449SS*.Hα-helixtrans-62.6-32.6179.854.50000114.1D1301 Y1302D1301-S1305 WeakPolarHBondContact O-CB 3.26Å; D1301-S1305 PolarHBondContact O-N 2.9Å; D1301-S1305 VanDerWaalsContact O-N 3.08Å; D1301-S1305 PolarHBondContact O-OG 3.21Å; Y1302-S1305 WeakPolarHBondContact CA-OG 3.45Å; Y1302-S1305 PolarHBondContact O-OG 3.08Å
1306N53.6Low53.3Low40 Ų4091.7 Ų91.721%0.21448%0.477CS..THydrogen-bonded Turntrans-96.55.4-179.3-71.5-79.3000114.7Y1302 E1304 N1308 E1309 F1310Y1302-N1306 WeakPolarHBondContact CE2-ND2 3.38Å; Y1302-N1306 WeakPolarHBondContact O-CB 3.39Å; Y1302-N1306 PolarHBondContact O-N 3.03Å; Y1302-N1306 PolarHBondContact O-ND2 3.29Å; E1304-N1306 VanDerWaalsContact C-N 3.32Å; E1304-N1306 PolarHBondContact O-N 2.82Å; N1306-N1308 PolarHBondContact O-N 2.8Å; N1306-E1309 PolarHBondContact O-N 3.36Å; N1306-F1310 HydrophobicContact CB-CD2 3.68Å; N1306-F1310 HydrophobicContact CB-CE2 3.83Å; N1306-F1310 HydrophobicContact CB-CG 4.48Å; N1306-F1310 PolarHBondContact O-N 3.2Å; N1306-F1310 VanDerWaalsContact O-N 3.12Å
1307S46.8Very low50.9Low63 Ų6396 Ų9644%0.44151%0.507SS..THydrogen-bonded Turntrans-48.3-36.8-176.151.10000114.7Q1303 E1304Q1303-S1307 PolarHBondContact O-N 3.42Å; E1304-S1307 VanDerWaalsContact O-CB 3.26Å; E1304-S1307 WeakPolarHBondContact O-CB 3.37Å; E1304-S1307 PolarHBondContact O-N 3.49Å; E1304-S1307 PolarHBondContact O-OG 3.48Å
1308N42Very low49.3Very low155 Ų15594.6 Ų94.683%0.82950%0.504SS*.THydrogen-bonded Turntrans-83.9-19.6179.2-72.5-51.2000115.2N1306N1306-N1308 PolarHBondContact O-N 2.8Å
1309E41.4Very low47.9Very low105 Ų10595.5 Ų95.549%0.49151%0.514SS..THydrogen-bonded Turntrans-97.4-24.3179.6-83.2-129.5162.100113.8N1306 I1311 K1313N1306-E1309 PolarHBondContact O-N 3.36Å; E1309-I1311 PolarHBondContact O-N 2.93Å; E1309-K1313 IonicContact OE2-NZ 3.39Å; E1309-K1313 PolarHBondContact OE2-NZ 3.41Å
1310F35.6Very low47.2Very low66 Ų66101.4 Ų101.429%0.28954%0.543SS..G310 helixtrans-71.2-29-170.1-104.7-133.6000114.6Y1302 N1306 G1312 K1313 K1314Y1302-F1310 HydrophobicContact CE1-CE2 4.28Å; Y1302-F1310 AromaticContact CE1-CZ 3.93Å; Y1302-F1310 HydrophobicContact CE1-CZ 3.93Å; N1306-F1310 HydrophobicContact CB-CD2 3.68Å; N1306-F1310 HydrophobicContact CB-CE2 3.83Å; N1306-F1310 HydrophobicContact CB-CG 4.48Å; N1306-F1310 PolarHBondContact O-N 3.2Å; N1306-F1310 VanDerWaalsContact O-N 3.12Å; F1310-G1312 PolarHBondContact O-N 3.05Å; F1310-K1313 PolarHBondContact O-N 3.42Å; F1310-K1314 HydrophobicContact CD1-CD 4.44Å
1311I34.5Very low46.6Very low153 Ų153101.1 Ų101.179%0.78555%0.548SS*.G310 helixtrans-62.7-30.6-175.9-58.5175000111.7E1309E1309-I1311 PolarHBondContact O-N 2.93Å
1312G31.3Very low46.5Very low76 Ų7698.9 Ų98.978%0.78453%0.534SS*.G310 helixtrans-87.2-1.2-17300000116.9F1310F1310-G1312 PolarHBondContact O-N 3.05Å
1313K32.9Very low46.9Very low117 Ų11797.2 Ų97.251%0.50953%0.532SS..THydrogen-bonded Turntrans-126.6-11.6-166.5-66170.1-169.2166.70116.1E1309 F1310E1309-K1313 IonicContact OE2-NZ 3.39Å; E1309-K1313 PolarHBondContact OE2-NZ 3.41Å; F1310-K1313 PolarHBondContact O-N 3.42Å
1314K30.5Very low47.5Very low87 Ų8795.4 Ų95.438%0.37852%0.522SS..  trans-111.692.8-173.6-71-171.3174.9-170.60112.8F1310 H1322F1310-K1314 HydrophobicContact CD1-CD 4.44Å; K1314-H1322 PolarHBondContact NZ-CD2 2.9Å; K1314-H1322 PolarHBondContact NZ-NE2 2.94Å
1315Q26.5Very low48.4Very low196 Ų19690.9 Ų90.992%0.91650%0.502SS*.  trans-131.513.3163.7-75.4-167-1600113.3
1316T28.9Very low49.7Very low102 Ų10287.2 Ų87.263%0.62648%0.476SS*.SBendtrans-132102.1-173.640.70000111.9S1318T1316-S1318 WeakPolarHBondContact O-CB 3.14Å; T1316-S1318 PolarHBondContact O-N 2.95Å; T1316-S1318 PolarHBondContact O-OG 3.08Å
1317S35.9Very low51.2Low91 Ų9185.3 Ų85.364%0.63647%0.465SS*.SBendtrans45.724.5155.767.80000118.9
1318S49.6Very low53.1Low55 Ų5583.6 Ų83.639%0.38545%0.451SS..  trans-133.41.6-171.749.90000113.6T1316 H1322T1316-S1318 WeakPolarHBondContact O-CB 3.14Å; T1316-S1318 PolarHBondContact O-N 2.95Å; T1316-S1318 PolarHBondContact O-OG 3.08Å; S1318-H1322 VanDerWaalsContact O-CB 3.26Å; S1318-H1322 WeakPolarHBondContact O-CB 3.4Å
1319S51.7Low55.3Low63 Ų6376.2 Ų76.244%0.44141%0.412SS..SBendtrans-82-44173.342.40000112.1H1322 N1323S1319-H1322 PolarHBondContact O-N 3.48Å; S1319-N1323 VanDerWaalsContact O-CG 3.32Å; S1319-N1323 PolarHBondContact O-N 3.13Å; S1319-N1323 PolarHBondContact O-OD1 3.42Å
1320E58.2Low57.6Low141 Ų14171.4 Ų71.466%0.65939%0.389SS*.Hα-helixtrans-66.2-53.5-173.4-64.4173.6170.800112H1322 N1323 R1324E1320-H1322 PolarHBondContact O-N 3.42Å; E1320-N1323 PolarHBondContact O-N 2.89Å; E1320-R1324 WeakPolarHBondContact O-CB 3.26Å; E1320-R1324 PolarHBondContact O-N 3.38Å
1321D59.7Low60.2Low94 Ų9468.3 Ų68.350%0.50338%0.375SS..Hα-helixtrans-59.2-32.3177.8-65.5-27.8000112.6L1325D1321-L1325 WeakPolarHBondContact O-CG 3.48Å; D1321-L1325 PolarHBondContact O-N 2.95Å
1322H67.4Low62.8Low55 Ų5561.2 Ų61.226%0.25534%0.339SS..Hα-helixtrans-76.6-44.2-178.1-167.858.9000111.6Y1299 K1314 S1318 S1319 E1320 R1324 L1325 L1326Y1299-H1322 AromaticContact CE2-CE1 3.76Å; Y1299-H1322 PolarHBondContact OH-CE1 3.05Å; Y1299-H1322 PolarHBondContact OH-NE2 3.28Å; K1314-H1322 PolarHBondContact NZ-CD2 2.9Å; K1314-H1322 PolarHBondContact NZ-NE2 2.94Å; S1318-H1322 VanDerWaalsContact O-CB 3.26Å; S1318-H1322 WeakPolarHBondContact O-CB 3.4Å; S1319-H1322 PolarHBondContact O-N 3.48Å; E1320-H1322 PolarHBondContact O-N 3.42Å; H1322-R1324 VanDerWaalsContact C-N 3.27Å; H1322-R1324 PolarHBondContact O-N 3.44Å; H1322-L1325 PolarHBondContact O-N 3.28Å; H1322-L1326 WeakPolarHBondContact O-CB 3.42Å; H1322-L1326 PolarHBondContact O-N 3.26Å
1323N74.6Confident65.6Low67 Ų6758.9 Ų58.936%0.35831%0.307SS..Hα-helixtrans-62.5-37.2171.3-70.86.1000111.2S1319 E1320 A1327 L1356S1319-N1323 VanDerWaalsContact O-CG 3.32Å; S1319-N1323 PolarHBondContact O-N 3.13Å; S1319-N1323 PolarHBondContact O-OD1 3.42Å; E1320-N1323 PolarHBondContact O-N 2.89Å; N1323-A1327 WeakPolarHBondContact O-CB 3.42Å; N1323-A1327 PolarHBondContact O-N 3.39Å; N1323-L1356 HydrophobicContact CB-CD2 4.33Å
1324R76.3Confident68.4Low44 Ų4453.3 Ų53.317%0.16628%0.283CS..Hα-helixtrans-61.7-54.6175.1-179.2-167.1173.2107.126.2112.1D160 E1320 H1322 L1326 A1327 D1328D160-R1324 IonicContact OD2-CZ 3.75Å; D160-R1324 IonicContact OD2-NH1 3.78Å; D160-R1324 PolarHBondContact OD2-NH1 3Å; D160-R1324 IonicContact OD2-NH2 2.86Å; D160-R1324 PolarHBondContact OD2-NH2 3.3Å; E1320-R1324 WeakPolarHBondContact O-CB 3.26Å; E1320-R1324 PolarHBondContact O-N 3.38Å; H1322-R1324 VanDerWaalsContact C-N 3.27Å; H1322-R1324 PolarHBondContact O-N 3.44Å; R1324-L1326 PolarHBondContact O-N 3.38Å; R1324-A1327 WeakPolarHBondContact O-CB 3.42Å; R1324-A1327 PolarHBondContact O-N 3.04Å; R1324-A1327 VanDerWaalsContact O-N 3.08Å; R1324-D1328 PolarHBondContact O-N 3.47Å
1325L80.5Confident71.2Confident52 Ų5250.1 Ų50.127%0.27227%0.27SS..Hα-helixtrans-60.1-36.2179.1-77.2169.1000112.1E1270 D1321 H1322 D1328 A1329E1270-L1325 HydrophobicContact CB-CD2 4.19Å; E1270-L1325 HydrophobicContact CG-CD2 4.4Å; D1321-L1325 WeakPolarHBondContact O-CG 3.48Å; D1321-L1325 PolarHBondContact O-N 2.95Å; H1322-L1325 PolarHBondContact O-N 3.28Å; L1325-D1328 PolarHBondContact O-N 3.32Å; L1325-A1329 PolarHBondContact O-N 2.9Å
1326L85Confident74.2Confident10 Ų1040.9 Ų40.95%0.05223%0.226CC..Hα-helixtrans-66.8-38.7174.5-175.362.2000112.3L1269 L1296 Y1299 H1322 R1324 A1329 Y1330 L1356L1269-L1326 HydrophobicContact CD1-CD1 4.4Å; L1296-L1326 HydrophobicContact CD2-CD1 3.88Å; Y1299-L1326 HydrophobicContact CD1-CD1 3.72Å; Y1299-L1326 HydrophobicContact CE1-CD1 3.46Å; Y1299-L1326 VanDerWaalsContact CE1-CD1 3.46Å; Y1299-L1326 HydrophobicContact CE1-CD2 3.65Å; Y1299-L1326 HydrophobicContact CE1-CG 4.11Å; H1322-L1326 WeakPolarHBondContact O-CB 3.42Å; H1322-L1326 PolarHBondContact O-N 3.26Å; R1324-L1326 PolarHBondContact O-N 3.38Å; L1326-A1329 WeakPolarHBondContact O-CB 3.34Å; L1326-A1329 PolarHBondContact O-N 3.17Å; L1326-Y1330 HydrophobicContact CD1-CD2 4.43Å; L1326-Y1330 HydrophobicContact CD1-CE2 3.71Å; L1326-Y1330 HydrophobicContact CD2-CE2 4.35Å; L1326-Y1330 HydrophobicContact CG-CD2 4.26Å; L1326-Y1330 HydrophobicContact CG-CE2 3.7Å; L1326-Y1330 WeakPolarHBondContact O-CD2 3.44Å; L1326-Y1330 PolarHBondContact O-N 3.19Å; L1326-L1356 HydrophobicContact CB-CD1 4.13Å; L1326-L1356 HydrophobicContact CD2-CD1 3.78Å; L1326-L1356 HydrophobicContact CD2-CD2 4.14Å; L1326-L1356 HydrophobicContact CG-CD1 3.69Å
1327A86.2Confident77.2Confident0 Ų037.6 Ų37.60%020%0.203CC..Hα-helixtrans-64.1-43.2173.200000112.2N1323 R1324 A1329 Y1330 D1331 A1353 L1356 N1357 Y1363N1323-A1327 WeakPolarHBondContact O-CB 3.42Å; N1323-A1327 PolarHBondContact O-N 3.39Å; R1324-A1327 WeakPolarHBondContact O-CB 3.42Å; R1324-A1327 PolarHBondContact O-N 3.04Å; R1324-A1327 VanDerWaalsContact O-N 3.08Å; A1327-A1329 VanDerWaalsContact C-N 3.26Å; A1327-A1329 PolarHBondContact O-N 3.29Å; A1327-Y1330 PolarHBondContact O-N 3.47Å; A1327-D1331 WeakPolarHBondContact O-CB 3.46Å; A1327-D1331 PolarHBondContact O-N 2.92Å; A1327-A1353 HydrophobicContact CB-CB 4.19Å; A1327-L1356 HydrophobicContact CB-CB 3.87Å; A1327-L1356 HydrophobicContact CB-CD1 4.37Å; A1327-N1357 HydrophobicContact CB-CB 4.31Å; A1327-Y1363 HydrophobicContact CB-CE2 3.91Å
1328D85.5Confident79.7Confident26 Ų2635.2 Ų35.214%0.13918%0.182CC..Hα-helixtrans-62.9-31.5175-82.3-58.2000111.7I1273 R1324 L1325 C1332 K1362 Y1363I1273-D1328 HydrophobicContact CD1-CB 4.05Å; R1324-D1328 PolarHBondContact O-N 3.47Å; L1325-D1328 PolarHBondContact O-N 3.32Å; D1328-C1332 PolarHBondContact O-N 2.6Å; D1328-C1332 PolarHBondContact O-SG 3.44Å; D1328-K1362 IonicContact OD1-NZ 2.73Å; D1328-K1362 PolarHBondContact OD1-NZ 3.38Å; D1328-Y1363 VanDerWaalsContact CG-OH 3.3Å; D1328-Y1363 PolarHBondContact N-OH 3.26Å; D1328-Y1363 PolarHBondContact OD1-OH 3.28Å
1329A88.4Confident81.3Confident0 Ų036.9 Ų36.90%018%0.184CC..Hα-helixtrans-68.3-43.3174.900000113.3L1269 I1273 I1292 L1296 L1325 L1326 A1327 C1332 R1333L1269-A1329 HydrophobicContact CD2-CB 4.44Å; I1273-A1329 HydrophobicContact CD1-CB 4.06Å; I1273-A1329 HydrophobicContact CG1-CB 4.18Å; I1292-A1329 HydrophobicContact CD1-CB 4.23Å; L1296-A1329 HydrophobicContact CD2-CB 3.95Å; L1325-A1329 PolarHBondContact O-N 2.9Å; L1326-A1329 WeakPolarHBondContact O-CB 3.34Å; L1326-A1329 PolarHBondContact O-N 3.17Å; A1327-A1329 VanDerWaalsContact C-N 3.26Å; A1327-A1329 PolarHBondContact O-N 3.29Å; A1329-C1332 PolarHBondContact O-N 3.23Å; A1329-R1333 PolarHBondContact O-N 3.48Å; A1329-R1333 VanDerWaalsContact O-N 3.08Å
1330Y90.5Very high83.1Confident5 Ų536.1 Ų36.12%0.0218%0.175CC..Hα-helixtrans-65.4-40.4173.5-72.1-62.5000112.2L1296 Y1300 L1326 A1327 C1332 R1333 A1334 D1349 T1352 L1356L1296-Y1330 HydrophobicContact CD1-CD1 3.99Å; L1296-Y1330 HydrophobicContact CD1-CE1 3.9Å; L1296-Y1330 HydrophobicContact CD2-CD1 4.4Å; L1296-Y1330 HydrophobicContact CD2-CE1 3.91Å; L1296-Y1330 HydrophobicContact CD2-CE2 4.35Å; L1296-Y1330 HydrophobicContact CG-CE1 4.47Å; Y1300-Y1330 HydrophobicContact CE2-CE1 4.49Å; Y1300-Y1330 WeakPolarHBondContact CE2-OH 3.1Å; Y1300-Y1330 PolarHBondContact OH-OH 3.44Å; L1326-Y1330 HydrophobicContact CD1-CD2 4.43Å; L1326-Y1330 HydrophobicContact CD1-CE2 3.71Å; L1326-Y1330 HydrophobicContact CD2-CE2 4.35Å; L1326-Y1330 HydrophobicContact CG-CD2 4.26Å; L1326-Y1330 HydrophobicContact CG-CE2 3.7Å; L1326-Y1330 WeakPolarHBondContact O-CD2 3.44Å; L1326-Y1330 PolarHBondContact O-N 3.19Å; A1327-Y1330 PolarHBondContact O-N 3.47Å; Y1330-C1332 VanDerWaalsContact C-N 3.33Å; Y1330-C1332 PolarHBondContact O-N 3.4Å; Y1330-R1333 PolarHBondContact O-N 2.92Å; Y1330-A1334 WeakPolarHBondContact O-CB 3.27Å; Y1330-A1334 PolarHBondContact O-N 3.11Å; Y1330-D1349 HydrophobicContact CD1-CB 4.44Å; Y1330-T1352 VanDerWaalsContact CD2-OG1 3.29Å; Y1330-T1352 WeakPolarHBondContact CD2-OG1 3.46Å; Y1330-T1352 VanDerWaalsContact CG-OG1 3.22Å; Y1330-L1356 HydrophobicContact CD2-CD1 3.91Å; Y1330-L1356 HydrophobicContact CE2-CD1 3.94Å
1331D89.6Confident84.4Confident0 Ų032.4 Ų32.40%017%0.174CC..Hα-helixtrans-58-45174.2-175.558000111.5A1327 R1333 A1334 I1335 L1350 K1362 Y1363 N1366A1327-D1331 WeakPolarHBondContact O-CB 3.46Å; A1327-D1331 PolarHBondContact O-N 2.92Å; D1331-R1333 PolarHBondContact O-N 3.35Å; D1331-A1334 PolarHBondContact O-N 3.32Å; D1331-I1335 VanDerWaalsContact O-CD1 3.26Å; D1331-I1335 WeakPolarHBondContact O-CD1 3.22Å; D1331-I1335 WeakPolarHBondContact O-CG1 3.32Å; D1331-I1335 PolarHBondContact O-N 3.45Å; D1331-L1350 HydrophobicContact CB-CD2 4.4Å; D1331-L1350 VanDerWaalsContact OD1-CD2 3.27Å; D1331-L1350 WeakPolarHBondContact OD1-CD2 3.49Å; D1331-K1362 WeakPolarHBondContact OD2-CE 3.39Å; D1331-K1362 IonicContact OD2-NZ 3.55Å; D1331-K1362 PolarHBondContact OD2-NZ 3.18Å; D1331-Y1363 HydrophobicContact CB-CD1 3.75Å; D1331-Y1363 HydrophobicContact CB-CE1 3.62Å; D1331-N1366 PolarHBondContact OD1-ND2 2.91Å
1332C89.1Confident85.9Confident4 Ų434.2 Ų34.23%0.02717%0.174CC..Hα-helixtrans-60.6-45.5174.5-66.80000112.7M1277 D1328 A1329 Y1330 A1334 I1335 I1336M1277-C1332 VanDerWaalsContact CE-SG 3.56Å; D1328-C1332 PolarHBondContact O-N 2.6Å; D1328-C1332 PolarHBondContact O-SG 3.44Å; A1329-C1332 PolarHBondContact O-N 3.23Å; Y1330-C1332 VanDerWaalsContact C-N 3.33Å; Y1330-C1332 PolarHBondContact O-N 3.4Å; C1332-A1334 VanDerWaalsContact C-N 3.34Å; C1332-A1334 PolarHBondContact O-N 3.4Å; C1332-I1335 PolarHBondContact O-N 2.99Å; C1332-I1336 WeakPolarHBondContact O-CD1 3.38Å; C1332-I1336 WeakPolarHBondContact O-CG1 3.12Å; C1332-I1336 PolarHBondContact O-N 3.41Å; C1332-I1336 VanDerWaalsContact O-N 3.17Å
1333R91.6Very high86.9Confident28 Ų2832.9 Ų32.911%0.10617%0.17CC..Hα-helixtrans-63.6-40.1177.4-171.2169.370.4-177.76111.9I1292 L1296 A1329 Y1330 D1331 I1336 Y1337 D1349I1292-R1333 HydrophobicContact CG1-CB 4.11Å; I1292-R1333 HydrophobicContact CG2-CB 3.75Å; I1292-R1333 HydrophobicContact CG2-CG 3.75Å; L1296-R1333 HydrophobicContact CD1-CB 4.35Å; A1329-R1333 PolarHBondContact O-N 3.48Å; A1329-R1333 VanDerWaalsContact O-N 3.08Å; Y1330-R1333 PolarHBondContact O-N 2.92Å; D1331-R1333 PolarHBondContact O-N 3.35Å; R1333-I1336 PolarHBondContact O-N 3.42Å; R1333-Y1337 HydrophobicContact CG-CD2 3.99Å; R1333-Y1337 HydrophobicContact CG-CE2 3.61Å; R1333-Y1337 WeakPolarHBondContact O-CD2 3.33Å; R1333-Y1337 PolarHBondContact O-N 3.25Å; R1333-D1349 WeakPolarHBondContact CB-OD2 3.37Å; R1333-D1349 VanDerWaalsContact CG-OD2 3.31Å; R1333-D1349 WeakPolarHBondContact CG-OD2 3.11Å; R1333-D1349 IonicContact CZ-OD1 2.75Å; R1333-D1349 IonicContact CZ-OD2 3.79Å; R1333-D1349 IonicContact NE-OD1 3.17Å; R1333-D1349 PolarHBondContact NE-OD1 3.4Å; R1333-D1349 IonicContact NE-OD2 3.39Å; R1333-D1349 PolarHBondContact NE-OD2 3.44Å; R1333-D1349 IonicContact NH2-OD1 3.93Å; R1333-D1349 PolarHBondContact NH2-OD1 2.88Å; R1333-D1349 IonicContact NH2-OD2 3.62Å
1334A91.4Very high87.8Confident0 Ų033.7 Ų33.70%017%0.172CC..Hα-helixtrans-63.2-41.6176.600000113Y1330 D1331 C1332 I1336 Y1337 L1338 A1346 D1349 L1350Y1330-A1334 WeakPolarHBondContact O-CB 3.27Å; Y1330-A1334 PolarHBondContact O-N 3.11Å; D1331-A1334 PolarHBondContact O-N 3.32Å; C1332-A1334 VanDerWaalsContact C-N 3.34Å; C1332-A1334 PolarHBondContact O-N 3.4Å; A1334-I1336 VanDerWaalsContact C-N 3.33Å; A1334-I1336 PolarHBondContact O-N 3.22Å; A1334-Y1337 WeakPolarHBondContact O-CB 3.46Å; A1334-Y1337 PolarHBondContact O-N 3.41Å; A1334-L1338 WeakPolarHBondContact O-CG 3.13Å; A1334-L1338 PolarHBondContact O-N 3.02Å; A1334-A1346 HydrophobicContact CB-CB 3.97Å; A1334-A1346 VanDerWaalsContact O-CB 3.31Å; A1334-A1346 WeakPolarHBondContact O-CB 3.3Å; A1334-D1349 HydrophobicContact CB-CB 3.89Å; A1334-L1350 HydrophobicContact CB-CD1 3.68Å; A1334-L1350 HydrophobicContact CB-CD2 4.08Å; A1334-L1350 HydrophobicContact CB-CG 3.5Å
1335I88.8Confident88.5Confident20 Ų2033.9 Ų33.910%0.10318%0.179CC..Hα-helixtrans-64.1-40.6176.9-63.3154.9000110.6L156 Q1280 D1331 C1332 L1338 Q1339L156-I1335 HydrophobicContact CD1-CD1 4.06Å; L156-I1335 HydrophobicContact CD2-CD1 3.49Å; L156-I1335 VanDerWaalsContact CD2-CD1 3.49Å; L156-I1335 HydrophobicContact CG-CD1 4.42Å; Q1280-I1335 VanDerWaalsContact NE2-CG2 3.27Å; D1331-I1335 VanDerWaalsContact O-CD1 3.26Å; D1331-I1335 WeakPolarHBondContact O-CD1 3.22Å; D1331-I1335 WeakPolarHBondContact O-CG1 3.32Å; D1331-I1335 PolarHBondContact O-N 3.45Å; C1332-I1335 PolarHBondContact O-N 2.99Å; I1335-L1338 PolarHBondContact O-N 3.27Å; I1335-Q1339 PolarHBondContact O-N 2.9Å
1336I89.5Confident89.1Confident1 Ų131.4 Ų31.41%0.00517%0.167CC..Hα-helixtrans-65.3-41174.6-62.6159.6000110.6Q1280 A1288 L1289 I1292 C1332 R1333 A1334 L1338 Q1339 L1340Q1280-I1336 HydrophobicContact CG-CG1 4.48Å; A1288-I1336 HydrophobicContact CB-CD1 3.69Å; A1288-I1336 HydrophobicContact CB-CG1 4.3Å; L1289-I1336 HydrophobicContact CB-CG2 3.89Å; L1289-I1336 HydrophobicContact CD1-CG2 4.45Å; I1292-I1336 HydrophobicContact CG2-CD1 4.21Å; C1332-I1336 WeakPolarHBondContact O-CD1 3.38Å; C1332-I1336 WeakPolarHBondContact O-CG1 3.12Å; C1332-I1336 PolarHBondContact O-N 3.41Å; C1332-I1336 VanDerWaalsContact O-N 3.17Å; R1333-I1336 PolarHBondContact O-N 3.42Å; A1334-I1336 VanDerWaalsContact C-N 3.33Å; A1334-I1336 PolarHBondContact O-N 3.22Å; I1336-L1338 VanDerWaalsContact C-N 3.34Å; I1336-L1338 PolarHBondContact O-N 3.48Å; I1336-Q1339 PolarHBondContact O-N 3.09Å; I1336-L1340 HydrophobicContact CG2-CD1 3.85Å; I1336-L1340 HydrophobicContact CG2-CG 4.47Å; I1336-L1340 WeakPolarHBondContact O-CB 3.45Å; I1336-L1340 WeakPolarHBondContact O-CG 3.44Å; I1336-L1340 PolarHBondContact O-N 2.77Å
1337Y91.5Very high89.4Confident34 Ų3431.2 Ų31.213%0.13317%0.165CC..Hα-helixtrans-60.4-39172.5-78.4-44.2000112.8L1289 R1333 A1334 L1340 G1341 R1342 C1345 D1349L1289-Y1337 HydrophobicContact CD1-CD1 3.88Å; L1289-Y1337 HydrophobicContact CD1-CE1 3.64Å; R1333-Y1337 HydrophobicContact CG-CD2 3.99Å; R1333-Y1337 HydrophobicContact CG-CE2 3.61Å; R1333-Y1337 WeakPolarHBondContact O-CD2 3.33Å; R1333-Y1337 PolarHBondContact O-N 3.25Å; A1334-Y1337 WeakPolarHBondContact O-CB 3.46Å; A1334-Y1337 PolarHBondContact O-N 3.41Å; Y1337-L1340 CarbonylContact O-C 3.6Å; Y1337-L1340 PolarHBondContact O-N 3.08Å; Y1337-G1341 PolarHBondContact O-N 2.76Å; Y1337-R1342 HydrophobicContact CD1-CB 4.23Å; Y1337-R1342 PolarHBondContact O-N 2.92Å; Y1337-C1345 HydrophobicContact CD1-CB 4.02Å; Y1337-C1345 HydrophobicContact CD2-CB 3.56Å; Y1337-C1345 HydrophobicContact CE1-CB 4.12Å; Y1337-C1345 HydrophobicContact CE2-CB 3.66Å; Y1337-C1345 HydrophobicContact CG-CB 3.77Å; Y1337-D1349 VanDerWaalsContact CE2-OD2 3.3Å; Y1337-D1349 WeakPolarHBondContact CE2-OD2 3.45Å
1338L87.8Confident89.7Confident40 Ų4034.9 Ų34.921%0.20919%0.185CC..Hα-helixtrans-64.8-40.9175.3-71170.8000112.4A1334 I1335 I1336 L1340 G1341 P1343 A1346 V1369 A1370A1334-L1338 WeakPolarHBondContact O-CG 3.13Å; A1334-L1338 PolarHBondContact O-N 3.02Å; I1335-L1338 PolarHBondContact O-N 3.27Å; I1336-L1338 VanDerWaalsContact C-N 3.34Å; I1336-L1338 PolarHBondContact O-N 3.48Å; L1338-L1340 VanDerWaalsContact C-N 3.27Å; L1338-L1340 PolarHBondContact O-N 2.78Å; L1338-G1341 PolarHBondContact O-N 2.68Å; L1338-P1343 HydrophobicContact CD2-CB 4.22Å; L1338-A1346 HydrophobicContact CD1-CB 4.36Å; L1338-A1346 HydrophobicContact CD2-CB 3.82Å; L1338-A1346 HydrophobicContact CG-CB 3.64Å; L1338-V1369 HydrophobicContact CD1-CG1 4.49Å; L1338-A1370 HydrophobicContact CD1-CB 4.23Å; L1338-A1370 HydrophobicContact CD2-CB 3.75Å; L1338-A1370 HydrophobicContact CG-CB 4.46Å
1339Q85.2Confident90Very high91 Ų9134.1 Ų34.143%0.42518%0.181SC..Hα-helixtrans-70.5-23.9176.1-70.6179.1-34.800112.9Q1280 L1285 I1335 I1336Q1280-Q1339 VanDerWaalsContact CG-OE1 3.22Å; L1285-Q1339 HydrophobicContact CD1-CB 3.85Å; L1285-Q1339 HydrophobicContact CD2-CB 4.2Å; L1285-Q1339 VanDerWaalsContact CD2-OE1 3.3Å; I1335-Q1339 PolarHBondContact O-N 2.9Å; I1336-Q1339 PolarHBondContact O-N 3.09Å
1340L88.1Confident90.2Very high47 Ų4734.1 Ų34.125%0.24618%0.181CC..THydrogen-bonded Turntrans-91.311.8173-68.3171.7000113.9L1285 L1289 I1336 Y1337 L1338 R1342L1285-L1340 HydrophobicContact CB-CD1 4.47Å; L1285-L1340 HydrophobicContact CB-CD2 3.79Å; L1285-L1340 HydrophobicContact CB-CG 4.13Å; L1285-L1340 HydrophobicContact CD1-CD2 4.06Å; L1285-L1340 HydrophobicContact CD1-CG 4.41Å; L1289-L1340 HydrophobicContact CB-CD1 4.3Å; L1289-L1340 HydrophobicContact CD1-CD1 3.45Å; L1289-L1340 VanDerWaalsContact CD1-CD1 3.45Å; I1336-L1340 HydrophobicContact CG2-CD1 3.85Å; I1336-L1340 HydrophobicContact CG2-CG 4.47Å; I1336-L1340 WeakPolarHBondContact O-CB 3.45Å; I1336-L1340 WeakPolarHBondContact O-CG 3.44Å; I1336-L1340 PolarHBondContact O-N 2.77Å; Y1337-L1340 CarbonylContact O-C 3.6Å; Y1337-L1340 PolarHBondContact O-N 3.08Å; L1338-L1340 VanDerWaalsContact C-N 3.27Å; L1338-L1340 PolarHBondContact O-N 2.78Å; L1340-R1342 PolarHBondContact O-N 3.3Å
1341G85.8Confident90.4Very high62 Ų6235.3 Ų35.364%0.63919%0.189SC*.THydrogen-bonded Turntrans72.123.1175.600000115.3Y1337 L1338 P1343Y1337-G1341 PolarHBondContact O-N 2.76Å; L1338-G1341 PolarHBondContact O-N 2.68Å; G1341-P1343 WeakPolarHBondContact O-CD 3.43Å
1342R91Very high90.3Very high133 Ų13336.9 Ų36.950%0.50220%0.198SC..  trans-113.767.3-176.8-57.9-175.3-171.3-1751.4112.1Y1337 L1340 Q1344 C1345 A1346Y1337-R1342 HydrophobicContact CD1-CB 4.23Å; Y1337-R1342 PolarHBondContact O-N 2.92Å; L1340-R1342 PolarHBondContact O-N 3.3Å; R1342-Q1344 VanDerWaalsContact C-N 3.33Å; R1342-Q1344 PolarHBondContact O-N 3.35Å; R1342-C1345 HydrophobicContact CB-CB 4.46Å; R1342-C1345 PolarHBondContact O-N 3.39Å; R1342-A1346 PolarHBondContact O-N 3.22Å
1343P89.4Confident90.4Very high26 Ų2636.7 Ų36.717%0.16920%0.197CC..Hα-helixtrans-64.1-32.3-171.726.9-35.6000113.7L1338 G1341 A1346 I1347 R1373 N1374L1338-P1343 HydrophobicContact CD2-CB 4.22Å; G1341-P1343 WeakPolarHBondContact O-CD 3.43Å; P1343-A1346 WeakPolarHBondContact O-CB 3.35Å; P1343-A1346 PolarHBondContact O-N 3.29Å; P1343-I1347 WeakPolarHBondContact O-CG1 3.27Å; P1343-I1347 PolarHBondContact O-N 3.43Å; P1343-R1373 HydrophobicContact CB-CB 4.12Å; P1343-N1374 HydrophobicContact CB-CB 4.07Å; P1343-N1374 HydrophobicContact CG-CB 4.28Å
1344Q91.9Very high90.3Very high85 Ų8536.5 Ų36.540%0.39720%0.198SC..Hα-helixtrans-62.6-49.5178.5-173.557.349.200112.1R1342 A1346 I1347 D1348 N1374R1342-Q1344 VanDerWaalsContact C-N 3.33Å; R1342-Q1344 PolarHBondContact O-N 3.35Å; Q1344-A1346 PolarHBondContact O-N 3.3Å; Q1344-I1347 WeakPolarHBondContact O-CB 3.25Å; Q1344-I1347 PolarHBondContact O-N 2.79Å; Q1344-D1348 PolarHBondContact NE2-OD1 3.16Å; Q1344-D1348 VanDerWaalsContact O-CG 3.23Å; Q1344-D1348 PolarHBondContact O-N 3.43Å; Q1344-N1374 PolarHBondContact OE1-ND2 3.09Å; Q1344-N1374 VanDerWaalsContact OE1-ND2 3.09Å
1345C91.8Very high90.1Very high48 Ų4845 Ų4532%0.32423%0.23SC..Hα-helixtrans-60.2-33.2177.7-53.70000112.2Y1337 R1342 D1349Y1337-C1345 HydrophobicContact CD1-CB 4.02Å; Y1337-C1345 HydrophobicContact CD2-CB 3.56Å; Y1337-C1345 HydrophobicContact CE1-CB 4.12Å; Y1337-C1345 HydrophobicContact CE2-CB 3.66Å; Y1337-C1345 HydrophobicContact CG-CB 3.77Å; R1342-C1345 HydrophobicContact CB-CB 4.46Å; R1342-C1345 PolarHBondContact O-N 3.39Å; C1345-D1349 PolarHBondContact O-N 2.83Å; C1345-D1349 VanDerWaalsContact O-N 3.15Å
1346A92.1Very high89.9Confident0 Ų046.3 Ų46.30%024%0.237CC..Hα-helixtrans-69-42.2173.900000112.6A1334 L1338 R1342 P1343 Q1344 D1348 L1350 A1370A1334-A1346 HydrophobicContact CB-CB 3.97Å; A1334-A1346 VanDerWaalsContact O-CB 3.31Å; A1334-A1346 WeakPolarHBondContact O-CB 3.3Å; L1338-A1346 HydrophobicContact CD1-CB 4.36Å; L1338-A1346 HydrophobicContact CD2-CB 3.82Å; L1338-A1346 HydrophobicContact CG-CB 3.64Å; R1342-A1346 PolarHBondContact O-N 3.22Å; P1343-A1346 WeakPolarHBondContact O-CB 3.35Å; P1343-A1346 PolarHBondContact O-N 3.29Å; Q1344-A1346 PolarHBondContact O-N 3.3Å; A1346-D1348 VanDerWaalsContact C-N 3.32Å; A1346-D1348 PolarHBondContact O-N 3.38Å; A1346-L1350 VanDerWaalsContact O-CB 3.31Å; A1346-L1350 WeakPolarHBondContact O-CB 3.44Å; A1346-L1350 VanDerWaalsContact O-CD1 3.27Å; A1346-L1350 WeakPolarHBondContact O-CD1 3.38Å; A1346-L1350 VanDerWaalsContact O-CG 3.23Å; A1346-L1350 WeakPolarHBondContact O-CG 3.45Å; A1346-L1350 PolarHBondContact O-N 3.42Å; A1346-A1370 HydrophobicContact CB-CB 4.22Å
1347I93.2Very high89.4Confident6 Ų647.9 Ų47.93%0.03125%0.245CC..Hα-helixtrans-57-48.7173.4-69.5161.1000109.7P1343 Q1344 L1350 T1351 A1370 Y1371 N1374P1343-I1347 WeakPolarHBondContact O-CG1 3.27Å; P1343-I1347 PolarHBondContact O-N 3.43Å; Q1344-I1347 WeakPolarHBondContact O-CB 3.25Å; Q1344-I1347 PolarHBondContact O-N 2.79Å; I1347-L1350 PolarHBondContact O-N 3.3Å; I1347-T1351 HydrophobicContact CG2-CG2 4.4Å; I1347-T1351 WeakPolarHBondContact O-CG2 3.43Å; I1347-T1351 PolarHBondContact O-N 3.47Å; I1347-A1370 HydrophobicContact CG1-CB 3.65Å; I1347-Y1371 HydrophobicContact CB-CE1 4.43Å; I1347-Y1371 HydrophobicContact CD1-CD1 3.51Å; I1347-Y1371 HydrophobicContact CD1-CE1 3.82Å; I1347-Y1371 HydrophobicContact CD1-CG 4.36Å; I1347-Y1371 HydrophobicContact CG1-CD1 3.88Å; I1347-Y1371 HydrophobicContact CG1-CE1 3.99Å; I1347-Y1371 HydrophobicContact CG1-CG 4.44Å; I1347-Y1371 HydrophobicContact CG2-CD1 4.29Å; I1347-Y1371 HydrophobicContact CG2-CE1 3.53Å; I1347-N1374 HydrophobicContact CD1-CB 3.85Å; I1347-N1374 WeakPolarHBondContact CD1-ND2 3.45Å
1348D92.7Very high88.5Confident77 Ų7752.2 Ų52.241%0.41227%0.267SS..Hα-helixtrans-59.2-52.2-177.1-58.4-32.6000110.8Q1344 A1346 L1350 T1351 T1352Q1344-D1348 PolarHBondContact NE2-OD1 3.16Å; Q1344-D1348 VanDerWaalsContact O-CG 3.23Å; Q1344-D1348 PolarHBondContact O-N 3.43Å; A1346-D1348 VanDerWaalsContact C-N 3.32Å; A1346-D1348 PolarHBondContact O-N 3.38Å; D1348-L1350 PolarHBondContact O-N 3.28Å; D1348-T1351 PolarHBondContact O-N 3.43Å; D1348-T1351 PolarHBondContact O-OG1 2.66Å; D1348-T1352 PolarHBondContact O-N 3.39Å
1349D91.8Very high87.8Confident10 Ų1059.7 Ų59.75%0.05329%0.293CS..Hα-helixtrans-56.5-45.4175.2-85.4-11.3000112.5Y1330 R1333 A1334 Y1337 C1345 T1351 T1352 A1353Y1330-D1349 HydrophobicContact CD1-CB 4.44Å; R1333-D1349 WeakPolarHBondContact CB-OD2 3.37Å; R1333-D1349 VanDerWaalsContact CG-OD2 3.31Å; R1333-D1349 WeakPolarHBondContact CG-OD2 3.11Å; R1333-D1349 IonicContact CZ-OD1 2.75Å; R1333-D1349 IonicContact CZ-OD2 3.79Å; R1333-D1349 IonicContact NE-OD1 3.17Å; R1333-D1349 PolarHBondContact NE-OD1 3.4Å; R1333-D1349 IonicContact NE-OD2 3.39Å; R1333-D1349 PolarHBondContact NE-OD2 3.44Å; R1333-D1349 IonicContact NH2-OD1 3.93Å; R1333-D1349 PolarHBondContact NH2-OD1 2.88Å; R1333-D1349 IonicContact NH2-OD2 3.62Å; A1334-D1349 HydrophobicContact CB-CB 3.89Å; Y1337-D1349 VanDerWaalsContact CE2-OD2 3.3Å; Y1337-D1349 WeakPolarHBondContact CE2-OD2 3.45Å; C1345-D1349 PolarHBondContact O-N 2.83Å; C1345-D1349 VanDerWaalsContact O-N 3.15Å; D1349-T1351 VanDerWaalsContact C-N 3.31Å; D1349-T1351 PolarHBondContact O-N 3.31Å; D1349-T1352 WeakPolarHBondContact O-CA 3.13Å; D1349-T1352 PolarHBondContact O-N 3.14Å; D1349-T1352 PolarHBondContact O-OG1 3.14Å; D1349-A1353 PolarHBondContact O-N 2.91Å
1350L92.1Very high87.5Confident0 Ų055.9 Ų55.90%028%0.277CS..Hα-helixtrans-69.3-27.7-179.4-71.7160.3000112.7D1331 A1334 A1346 I1347 D1348 T1352 A1353 I1354 N1366 R1367 A1370D1331-L1350 HydrophobicContact CB-CD2 4.4Å; D1331-L1350 VanDerWaalsContact OD1-CD2 3.27Å; D1331-L1350 WeakPolarHBondContact OD1-CD2 3.49Å; A1334-L1350 HydrophobicContact CB-CD1 3.68Å; A1334-L1350 HydrophobicContact CB-CD2 4.08Å; A1334-L1350 HydrophobicContact CB-CG 3.5Å; A1346-L1350 VanDerWaalsContact O-CB 3.31Å; A1346-L1350 WeakPolarHBondContact O-CB 3.44Å; A1346-L1350 VanDerWaalsContact O-CD1 3.27Å; A1346-L1350 WeakPolarHBondContact O-CD1 3.38Å; A1346-L1350 VanDerWaalsContact O-CG 3.23Å; A1346-L1350 WeakPolarHBondContact O-CG 3.45Å; A1346-L1350 PolarHBondContact O-N 3.42Å; I1347-L1350 PolarHBondContact O-N 3.3Å; D1348-L1350 PolarHBondContact O-N 3.28Å; L1350-T1352 VanDerWaalsContact C-N 3.31Å; L1350-A1353 PolarHBondContact O-N 3.35Å; L1350-I1354 WeakPolarHBondContact O-CB 3.08Å; L1350-I1354 WeakPolarHBondContact O-CD1 3.27Å; L1350-I1354 WeakPolarHBondContact O-CG1 3.43Å; L1350-I1354 PolarHBondContact O-N 3.22Å; L1350-N1366 HydrophobicContact CD1-CB 3.96Å; L1350-N1366 HydrophobicContact CD2-CB 3.82Å; L1350-R1367 HydrophobicContact CB-CB 3.89Å; L1350-R1367 HydrophobicContact CB-CG 3.92Å; L1350-R1367 HydrophobicContact CD1-CB 4.21Å; L1350-A1370 HydrophobicContact CD1-CB 4.26Å
1351T93.1Very high87.3Confident30 Ų3054.3 Ų54.318%0.18427%0.27CS..Hα-helixtrans-67-32168.270.30000112.3I1347 D1348 D1349 R1355I1347-T1351 HydrophobicContact CG2-CG2 4.4Å; I1347-T1351 WeakPolarHBondContact O-CG2 3.43Å; I1347-T1351 PolarHBondContact O-N 3.47Å; D1348-T1351 PolarHBondContact O-N 3.43Å; D1348-T1351 PolarHBondContact O-OG1 2.66Å; D1349-T1351 VanDerWaalsContact C-N 3.31Å; D1349-T1351 PolarHBondContact O-N 3.31Å; T1351-R1355 WeakPolarHBondContact O-CD 3.45Å; T1351-R1355 WeakPolarHBondContact O-CG 3.27Å; T1351-R1355 PolarHBondContact O-N 2.9Å
1352T89.5Confident87.2Confident32 Ų3253.4 Ų53.420%0.19625%0.249CC..Hα-helixtrans-73.6-40.9173.773.10000111.8Y1330 D1348 D1349 L1350 I1354 R1355 L1356Y1330-T1352 VanDerWaalsContact CD2-OG1 3.29Å; Y1330-T1352 WeakPolarHBondContact CD2-OG1 3.46Å; Y1330-T1352 VanDerWaalsContact CG-OG1 3.22Å; D1348-T1352 PolarHBondContact O-N 3.39Å; D1349-T1352 WeakPolarHBondContact O-CA 3.13Å; D1349-T1352 PolarHBondContact O-N 3.14Å; D1349-T1352 PolarHBondContact O-OG1 3.14Å; L1350-T1352 VanDerWaalsContact C-N 3.31Å; T1352-I1354 VanDerWaalsContact C-N 3.35Å; T1352-I1354 PolarHBondContact O-N 3.03Å; T1352-R1355 PolarHBondContact O-N 3.35Å; T1352-L1356 WeakPolarHBondContact O-CG 3.31Å; T1352-L1356 PolarHBondContact O-N 3.13Å
1353A89.5Confident87.1Confident0 Ų047.1 Ų47.10%023%0.225CC..Hα-helixtrans-57.7-45.3174.900000112.1A1327 D1349 L1350 L1356 N1357 Y1363A1327-A1353 HydrophobicContact CB-CB 4.19Å; D1349-A1353 PolarHBondContact O-N 2.91Å; L1350-A1353 PolarHBondContact O-N 3.35Å; A1353-L1356 PolarHBondContact O-N 3.44Å; A1353-N1357 PolarHBondContact O-N 3.44Å; A1353-Y1363 HydrophobicContact CB-CD1 4.37Å; A1353-Y1363 HydrophobicContact CB-CD2 4.3Å; A1353-Y1363 HydrophobicContact CB-CG 4.2Å
1354I89.5Confident87.1Confident24 Ų2446.6 Ų46.612%0.12322%0.221CC..Hα-helixtrans-67.8-36.5178.2-69.9163.6000112.1L1350 T1352 L1356 N1357 H1358 Y1363 L1364 R1367L1350-I1354 WeakPolarHBondContact O-CB 3.08Å; L1350-I1354 WeakPolarHBondContact O-CD1 3.27Å; L1350-I1354 WeakPolarHBondContact O-CG1 3.43Å; L1350-I1354 PolarHBondContact O-N 3.22Å; T1352-I1354 VanDerWaalsContact C-N 3.35Å; T1352-I1354 PolarHBondContact O-N 3.03Å; I1354-L1356 VanDerWaalsContact C-N 3.27Å; I1354-L1356 PolarHBondContact O-N 3.09Å; I1354-N1357 CarbonylContact O-C 3.46Å; I1354-N1357 VanDerWaalsContact O-C 3.29Å; I1354-N1357 PolarHBondContact O-N 3.37Å; I1354-H1358 WeakPolarHBondContact O-CA 3.5Å; I1354-H1358 PolarHBondContact O-N 2.91Å; I1354-Y1363 HydrophobicContact CG1-CD2 4.5Å; I1354-L1364 HydrophobicContact CD1-CD2 3.89Å; I1354-L1364 HydrophobicContact CD1-CG 4.32Å; I1354-R1367 HydrophobicContact CD1-CB 4.31Å; I1354-R1367 VanDerWaalsContact CD1-CZ 3.47Å
1355R87.8Confident87Confident179 Ų17942.7 Ų42.768%0.67520%0.203SC*.Hα-helixtrans-64.9-29.5173-74167.7-176171.74.6112.8T1351 T1352 H1358T1351-R1355 WeakPolarHBondContact O-CD 3.45Å; T1351-R1355 WeakPolarHBondContact O-CG 3.27Å; T1351-R1355 PolarHBondContact O-N 2.9Å; T1352-R1355 PolarHBondContact O-N 3.35Å; R1355-H1358 PolarHBondContact O-CE1 3.26Å
1356L84.1Confident86.9Confident48 Ų4841.7 Ų41.725%0.25119%0.194SC..Hα-helixtrans-82.4-35.7178.2-72.3167.4000112.6N1323 L1326 A1327 Y1330 T1352 A1353 I1354N1323-L1356 HydrophobicContact CB-CD2 4.33Å; L1326-L1356 HydrophobicContact CB-CD1 4.13Å; L1326-L1356 HydrophobicContact CD2-CD1 3.78Å; L1326-L1356 HydrophobicContact CD2-CD2 4.14Å; L1326-L1356 HydrophobicContact CG-CD1 3.69Å; A1327-L1356 HydrophobicContact CB-CB 3.87Å; A1327-L1356 HydrophobicContact CB-CD1 4.37Å; Y1330-L1356 HydrophobicContact CD2-CD1 3.91Å; Y1330-L1356 HydrophobicContact CE2-CD1 3.94Å; T1352-L1356 WeakPolarHBondContact O-CG 3.31Å; T1352-L1356 PolarHBondContact O-N 3.13Å; A1353-L1356 PolarHBondContact O-N 3.44Å; I1354-L1356 VanDerWaalsContact C-N 3.27Å; I1354-L1356 PolarHBondContact O-N 3.09Å
1357N78.6Confident86.9Confident33 Ų3343.5 Ų43.518%0.17620%0.201CC..  trans-142.898.6176.2175.413.4000111.5A1327 A1353 I1354 Y1359 Y1363A1327-N1357 HydrophobicContact CB-CB 4.31Å; A1353-N1357 PolarHBondContact O-N 3.44Å; I1354-N1357 CarbonylContact O-C 3.46Å; I1354-N1357 VanDerWaalsContact O-C 3.29Å; I1354-N1357 PolarHBondContact O-N 3.37Å; N1357-Y1359 PolarHBondContact O-N 3.42Å; N1357-Y1359 PolarHBondContact OD1-N 3.26Å; N1357-Y1363 HydrophobicContact CB-CE2 4.08Å
1358H74.4Confident86.8Confident126 Ų12643.2 Ų43.258%0.58320%0.2SC*.THydrogen-bonded Turntrans-71.9-19-171.3-63.486.6000115.4I1354 R1355I1354-H1358 WeakPolarHBondContact O-CA 3.5Å; I1354-H1358 PolarHBondContact O-N 2.91Å; R1355-H1358 PolarHBondContact O-CE1 3.26Å
1359Y71.7Confident86.7Confident196 Ų19640.9 Ų40.977%0.76919%0.188SC*.THydrogen-bonded Turntrans-101.99.9-167.9-65.7-73.7000114.4N1357N1357-Y1359 PolarHBondContact O-N 3.42Å; N1357-Y1359 PolarHBondContact OD1-N 3.26Å
1360S79.8Confident86.7Confident11 Ų1140.4 Ų40.48%0.07719%0.186CC..  trans-95.8111.4-174.8-179.90000112.5K1362 Y1363S1360-K1362 PolarHBondContact O-N 3.43Å; S1360-K1362 WeakPolarHBondContact OG-CB 3.03Å; S1360-Y1363 VanDerWaalsContact CB-CD2 3.44Å; S1360-Y1363 PolarHBondContact O-N 3.37Å
1361A84.2Confident86.7Confident14 Ų1442.1 Ų42.112%0.11619%0.192CC..Hα-helixtrans-60.4-27.917400000113L1364 V1365 A1387 L1390 D1391A1361-L1364 PolarHBondContact O-N 2.96Å; A1361-V1365 PolarHBondContact O-N 3.11Å; A1361-A1387 HydrophobicContact CB-CB 4.48Å; A1361-L1390 HydrophobicContact CB-CB 3.89Å; A1361-L1390 HydrophobicContact CB-CD1 4.46Å; A1361-D1391 HydrophobicContact CB-CB 4.11Å
1362K83.4Confident86.6Confident44 Ų4442.2 Ų42.219%0.19119%0.19CC..Hα-helixtrans-54.6-54.5179-174.8-162.9-172.2-142.70111.6D1328 D1331 S1360 L1364 V1365 N1366D1328-K1362 IonicContact OD1-NZ 2.73Å; D1328-K1362 PolarHBondContact OD1-NZ 3.38Å; D1331-K1362 WeakPolarHBondContact OD2-CE 3.39Å; D1331-K1362 IonicContact OD2-NZ 3.55Å; D1331-K1362 PolarHBondContact OD2-NZ 3.18Å; S1360-K1362 PolarHBondContact O-N 3.43Å; S1360-K1362 WeakPolarHBondContact OG-CB 3.03Å; K1362-L1364 VanDerWaalsContact C-N 3.33Å; K1362-L1364 PolarHBondContact O-N 3.15Å; K1362-V1365 PolarHBondContact O-N 2.73Å; K1362-N1366 PolarHBondContact O-N 2.91Å
1363Y88.7Confident86.5Confident1 Ų149.4 Ų49.40%0.00421%0.214CC..Hα-helixtrans-68.8-33.1-176-49-40000112.1A1327 D1328 D1331 A1353 I1354 N1357 S1360 N1366 R1367A1327-Y1363 HydrophobicContact CB-CE2 3.91Å; D1328-Y1363 VanDerWaalsContact CG-OH 3.3Å; D1328-Y1363 PolarHBondContact N-OH 3.26Å; D1328-Y1363 PolarHBondContact OD1-OH 3.28Å; D1331-Y1363 HydrophobicContact CB-CD1 3.75Å; D1331-Y1363 HydrophobicContact CB-CE1 3.62Å; A1353-Y1363 HydrophobicContact CB-CD1 4.37Å; A1353-Y1363 HydrophobicContact CB-CD2 4.3Å; A1353-Y1363 HydrophobicContact CB-CG 4.2Å; I1354-Y1363 HydrophobicContact CG1-CD2 4.5Å; N1357-Y1363 HydrophobicContact CB-CE2 4.08Å; S1360-Y1363 VanDerWaalsContact CB-CD2 3.44Å; S1360-Y1363 PolarHBondContact O-N 3.37Å; Y1363-N1366 PolarHBondContact O-N 3.42Å; Y1363-R1367 WeakPolarHBondContact O-CB 3.09Å; Y1363-R1367 PolarHBondContact O-N 3.18Å
1364L89.8Confident86.5Confident14 Ų1451.4 Ų51.47%0.07323%0.225CC..Hα-helixtrans-66-44.9174.7-71.7166.6000111.6I1354 A1361 K1362 R1367 G1368 D1383 N1386 A1387 L1390I1354-L1364 HydrophobicContact CD1-CD2 3.89Å; I1354-L1364 HydrophobicContact CD1-CG 4.32Å; A1361-L1364 PolarHBondContact O-N 2.96Å; K1362-L1364 VanDerWaalsContact C-N 3.33Å; K1362-L1364 PolarHBondContact O-N 3.15Å; L1364-R1367 PolarHBondContact O-N 2.99Å; L1364-G1368 PolarHBondContact O-N 3.44Å; L1364-D1383 HydrophobicContact CD2-CB 4.45Å; L1364-D1383 WeakPolarHBondContact CD2-OD1 3.37Å; L1364-N1386 HydrophobicContact CD1-CB 3.97Å; L1364-A1387 HydrophobicContact CB-CB 4.03Å; L1364-L1390 HydrophobicContact CD1-CD1 3.74Å
1365V89.3Confident86.4Confident4 Ų458.1 Ų58.12%0.02426%0.255CS..Hα-helixtrans-60.2-48.2173.2173.70000110.9A1361 K1362 R1367 G1368 V1369 F1384 A1387 N1394 L1396 A1397A1361-V1365 PolarHBondContact O-N 3.11Å; K1362-V1365 PolarHBondContact O-N 2.73Å; V1365-R1367 VanDerWaalsContact C-N 3.28Å; V1365-R1367 PolarHBondContact O-N 2.91Å; V1365-G1368 PolarHBondContact O-N 2.9Å; V1365-V1369 HydrophobicContact CG1-CG2 4.44Å; V1365-V1369 WeakPolarHBondContact O-CG2 3.5Å; V1365-V1369 PolarHBondContact O-N 3.21Å; V1365-F1384 HydrophobicContact CG1-CE1 4.15Å; V1365-F1384 WeakPolarHBondContact O-CE1 3.34Å; V1365-A1387 HydrophobicContact CG2-CB 3.57Å; V1365-N1394 VanDerWaalsContact CG2-ND2 3.27Å; V1365-N1394 WeakPolarHBondContact CG2-ND2 3.42Å; V1365-L1396 HydrophobicContact CG1-CB 3.88Å; V1365-A1397 HydrophobicContact CG2-CB 3.88Å
1366N89.4Confident86.6Confident27 Ų2753.1 Ų53.114%0.14424%0.24CC..Hα-helixtrans-61.3-38.2-179.5-70.3-10.3000111.6D1331 L1350 K1362 Y1363 V1369 A1370D1331-N1366 PolarHBondContact OD1-ND2 2.91Å; L1350-N1366 HydrophobicContact CD1-CB 3.96Å; L1350-N1366 HydrophobicContact CD2-CB 3.82Å; K1362-N1366 PolarHBondContact O-N 2.91Å; Y1363-N1366 PolarHBondContact O-N 3.42Å; N1366-V1369 PolarHBondContact O-N 2.96Å; N1366-A1370 WeakPolarHBondContact O-CB 3.36Å; N1366-A1370 PolarHBondContact O-N 3.39Å
1367R91.6Very high86.9Confident38 Ų3852.6 Ų52.614%0.14324%0.237CC..Hα-helixtrans-72.8-36.9176.9-160.2178.262.4-176.21.6112.1L1350 I1354 Y1363 L1364 V1365 V1369 A1370 Y1371 D1383L1350-R1367 HydrophobicContact CB-CB 3.89Å; L1350-R1367 HydrophobicContact CB-CG 3.92Å; L1350-R1367 HydrophobicContact CD1-CB 4.21Å; I1354-R1367 HydrophobicContact CD1-CB 4.31Å; I1354-R1367 VanDerWaalsContact CD1-CZ 3.47Å; Y1363-R1367 WeakPolarHBondContact O-CB 3.09Å; Y1363-R1367 PolarHBondContact O-N 3.18Å; L1364-R1367 PolarHBondContact O-N 2.99Å; V1365-R1367 VanDerWaalsContact C-N 3.28Å; V1365-R1367 PolarHBondContact O-N 2.91Å; R1367-V1369 VanDerWaalsContact C-N 3.32Å; R1367-V1369 PolarHBondContact O-N 2.9Å; R1367-A1370 WeakPolarHBondContact O-CB 3.36Å; R1367-A1370 PolarHBondContact O-N 3.47Å; R1367-Y1371 HydrophobicContact CG-CD2 3.95Å; R1367-Y1371 HydrophobicContact CG-CE2 3.62Å; R1367-Y1371 WeakPolarHBondContact O-CB 3.48Å; R1367-Y1371 VanDerWaalsContact O-CD2 3.23Å; R1367-Y1371 WeakPolarHBondContact O-CD2 3.39Å; R1367-Y1371 PolarHBondContact O-N 2.98Å; R1367-D1383 IonicContact CZ-OD1 3.82Å; R1367-D1383 IonicContact CZ-OD2 2.69Å; R1367-D1383 IonicContact NE-OD1 2.75Å; R1367-D1383 IonicContact NE-OD2 2.78Å; R1367-D1383 PolarHBondContact NE-OD2 3.15Å; R1367-D1383 VanDerWaalsContact NH2-CG 3.31Å; R1367-D1383 IonicContact NH2-OD1 3.84Å; R1367-D1383 PolarHBondContact NH2-OD1 3.16Å; R1367-D1383 IonicContact NH2-OD2 3.46Å; R1367-D1383 PolarHBondContact NH2-OD2 3.46Å; R1367-D1383 VanDerWaalsContact NH2-OD2 3.12Å
1368G91.6Very high87.5Confident0 Ų057.2 Ų57.20%026%0.259CS..Hα-helixtrans-59.2-41.8170.200000112.3L1364 V1365 Y1371 F1372 A1380L1364-G1368 PolarHBondContact O-N 3.44Å; V1365-G1368 PolarHBondContact O-N 2.9Å; G1368-Y1371 PolarHBondContact O-N 2.96Å; G1368-F1372 VanDerWaalsContact O-CB 3.28Å; G1368-F1372 WeakPolarHBondContact O-CB 3.29Å; G1368-F1372 PolarHBondContact O-N 3.1Å; G1368-A1380 VanDerWaalsContact O-CB 3.32Å; G1368-A1380 WeakPolarHBondContact O-CB 3.48Å
1369V90.5Very high88.3Confident28 Ų2853.4 Ų53.417%0.1725%0.245CC..Hα-helixtrans-66.3-39.5174.2173.70000111.2L1338 V1365 N1366 R1367 F1372 R1373 F1384L1338-V1369 HydrophobicContact CD1-CG1 4.49Å; V1365-V1369 HydrophobicContact CG1-CG2 4.44Å; V1365-V1369 WeakPolarHBondContact O-CG2 3.5Å; V1365-V1369 PolarHBondContact O-N 3.21Å; N1366-V1369 PolarHBondContact O-N 2.96Å; R1367-V1369 VanDerWaalsContact C-N 3.32Å; R1367-V1369 PolarHBondContact O-N 2.9Å; V1369-F1372 PolarHBondContact O-N 3.04Å; V1369-R1373 WeakPolarHBondContact O-CB 3.37Å; V1369-R1373 WeakPolarHBondContact O-CG 3.35Å; V1369-R1373 PolarHBondContact O-N 3.26Å; V1369-F1384 HydrophobicContact CG2-CE1 4.04Å; V1369-F1384 HydrophobicContact CG2-CZ 3.91Å; V1369-F1384 VanDerWaalsContact N-CZ 3.35Å
1370A91.6Very high89.3Confident0 Ų044.1 Ų44.10%021%0.209CC..Hα-helixtrans-64.4-45.5175.800000112.1L1338 A1346 I1347 L1350 N1366 R1367 R1373 N1374L1338-A1370 HydrophobicContact CD1-CB 4.23Å; L1338-A1370 HydrophobicContact CD2-CB 3.75Å; L1338-A1370 HydrophobicContact CG-CB 4.46Å; A1346-A1370 HydrophobicContact CB-CB 4.22Å; I1347-A1370 HydrophobicContact CG1-CB 3.65Å; L1350-A1370 HydrophobicContact CD1-CB 4.26Å; N1366-A1370 WeakPolarHBondContact O-CB 3.36Å; N1366-A1370 PolarHBondContact O-N 3.39Å; R1367-A1370 WeakPolarHBondContact O-CB 3.36Å; R1367-A1370 PolarHBondContact O-N 3.47Å; A1370-R1373 PolarHBondContact O-N 2.94Å; A1370-N1374 WeakPolarHBondContact O-CB 3.31Å; A1370-N1374 PolarHBondContact O-N 3.31Å
1371Y93.1Very high89.9Confident35 Ų3544.5 Ų44.514%0.13721%0.21CC..Hα-helixtrans-60.9-43.7172.5-75.9-49.5000112.3I1347 R1367 G1368 R1373 N1374 H1375 Q1376 P1379 D1383I1347-Y1371 HydrophobicContact CB-CE1 4.43Å; I1347-Y1371 HydrophobicContact CD1-CD1 3.51Å; I1347-Y1371 HydrophobicContact CD1-CE1 3.82Å; I1347-Y1371 HydrophobicContact CD1-CG 4.36Å; I1347-Y1371 HydrophobicContact CG1-CD1 3.88Å; I1347-Y1371 HydrophobicContact CG1-CE1 3.99Å; I1347-Y1371 HydrophobicContact CG1-CG 4.44Å; I1347-Y1371 HydrophobicContact CG2-CD1 4.29Å; I1347-Y1371 HydrophobicContact CG2-CE1 3.53Å; R1367-Y1371 HydrophobicContact CG-CD2 3.95Å; R1367-Y1371 HydrophobicContact CG-CE2 3.62Å; R1367-Y1371 WeakPolarHBondContact O-CB 3.48Å; R1367-Y1371 VanDerWaalsContact O-CD2 3.23Å; R1367-Y1371 WeakPolarHBondContact O-CD2 3.39Å; R1367-Y1371 PolarHBondContact O-N 2.98Å; G1368-Y1371 PolarHBondContact O-N 2.96Å; Y1371-R1373 PolarHBondContact O-N 3.27Å; Y1371-N1374 CarbonylContact O-C 3.56Å; Y1371-N1374 WeakPolarHBondContact O-CA 3.47Å; Y1371-N1374 PolarHBondContact O-N 2.89Å; Y1371-N1374 VanDerWaalsContact O-N 3.07Å; Y1371-H1375 PolarHBondContact O-N 3.33Å; Y1371-Q1376 HydrophobicContact CD1-CB 4.02Å; Y1371-Q1376 WeakPolarHBondContact O-CA 3.34Å; Y1371-Q1376 PolarHBondContact O-N 2.72Å; Y1371-P1379 HydrophobicContact CD1-CB 3.82Å; Y1371-P1379 HydrophobicContact CD1-CG 4.48Å; Y1371-P1379 HydrophobicContact CD2-CB 3.56Å; Y1371-P1379 HydrophobicContact CE1-CB 3.96Å; Y1371-P1379 HydrophobicContact CE2-CB 3.69Å; Y1371-P1379 HydrophobicContact CG-CB 3.64Å; Y1371-D1383 WeakPolarHBondContact CE2-OD2 3.46Å
1372F90.8Very high90.3Very high33 Ų3348.2 Ų48.215%0.14523%0.227CC..Hα-helixtrans-59.3-44.9175.8-176.9-94.9000111.8G1368 V1369 N1374 H1375 L1377 A1380 L1403 I1404 H1407G1368-F1372 VanDerWaalsContact O-CB 3.28Å; G1368-F1372 WeakPolarHBondContact O-CB 3.29Å; G1368-F1372 PolarHBondContact O-N 3.1Å; V1369-F1372 PolarHBondContact O-N 3.04Å; F1372-N1374 VanDerWaalsContact C-N 3.27Å; F1372-N1374 PolarHBondContact O-N 3.23Å; F1372-H1375 PolarHBondContact O-N 3.48Å; F1372-H1375 VanDerWaalsContact O-N 3.17Å; F1372-L1377 HydrophobicContact CD2-CD2 3.84Å; F1372-L1377 HydrophobicContact CE2-CD2 4.06Å; F1372-A1380 HydrophobicContact CB-CB 4.23Å; F1372-L1403 HydrophobicContact CE2-CB 4.06Å; F1372-L1403 HydrophobicContact CZ-CB 3.93Å; F1372-L1403 HydrophobicContact CZ-CD1 4.3Å; F1372-I1404 HydrophobicContact CD2-CD1 4.27Å; F1372-I1404 HydrophobicContact CD2-CG1 3.64Å; F1372-I1404 HydrophobicContact CE2-CG1 3.81Å; F1372-H1407 AromaticContact CE2-CD2 3.7Å; F1372-H1407 AromaticContact CZ-CD2 3.72Å; F1372-H1407 AromaticContact CZ-NE2 3.59Å
1373R87.3Confident90.7Very high182 Ų18246.3 Ų46.369%0.68722%0.219SC*.Hα-helixtrans-67.5-22.8174.1-73.6-71.1-173158.70.8113.8P1343 V1369 A1370 Y1371 H1375P1343-R1373 HydrophobicContact CB-CB 4.12Å; V1369-R1373 WeakPolarHBondContact O-CB 3.37Å; V1369-R1373 WeakPolarHBondContact O-CG 3.35Å; V1369-R1373 PolarHBondContact O-N 3.26Å; A1370-R1373 PolarHBondContact O-N 2.94Å; Y1371-R1373 PolarHBondContact O-N 3.27Å; R1373-H1375 VanDerWaalsContact C-N 3.3Å
1374N89.6Confident90.9Very high42 Ų4246.3 Ų46.323%0.22522%0.218CC..THydrogen-bonded Turntrans-90.212.5174-146.528.5000112.8P1343 Q1344 I1347 A1370 Y1371 F1372 Q1376P1343-N1374 HydrophobicContact CB-CB 4.07Å; P1343-N1374 HydrophobicContact CG-CB 4.28Å; Q1344-N1374 PolarHBondContact OE1-ND2 3.09Å; Q1344-N1374 VanDerWaalsContact OE1-ND2 3.09Å; I1347-N1374 HydrophobicContact CD1-CB 3.85Å; I1347-N1374 WeakPolarHBondContact CD1-ND2 3.45Å; A1370-N1374 WeakPolarHBondContact O-CB 3.31Å; A1370-N1374 PolarHBondContact O-N 3.31Å; Y1371-N1374 CarbonylContact O-C 3.56Å; Y1371-N1374 WeakPolarHBondContact O-CA 3.47Å; Y1371-N1374 PolarHBondContact O-N 2.89Å; Y1371-N1374 VanDerWaalsContact O-N 3.07Å; F1372-N1374 VanDerWaalsContact C-N 3.27Å; F1372-N1374 PolarHBondContact O-N 3.23Å; N1374-Q1376 HydrophobicContact CB-CG 4.38Å; N1374-Q1376 PolarHBondContact ND2-NE2 2.92Å; N1374-Q1376 PolarHBondContact O-N 3.04Å; N1374-Q1376 VanDerWaalsContact O-N 3.09Å
1375H87.5Confident90.9Very high165 Ų16549.7 Ų49.776%0.76423%0.233SC*.THydrogen-bonded Turntrans57.812.6-172-59.7-79.5000115.8Y1371 F1372 R1373 L1377Y1371-H1375 PolarHBondContact O-N 3.33Å; F1372-H1375 PolarHBondContact O-N 3.48Å; F1372-H1375 VanDerWaalsContact O-N 3.17Å; R1373-H1375 VanDerWaalsContact C-N 3.3Å; H1375-L1377 VanDerWaalsContact C-N 3.32Å; H1375-L1377 PolarHBondContact O-N 2.98Å
1376Q91.1Very high91Very high75 Ų7552.3 Ų52.335%0.3525%0.247SC..  trans-86.667.9179.2-65.9-177.710.500111Y1371 N1374 M1378 P1379 A1380Y1371-Q1376 HydrophobicContact CD1-CB 4.02Å; Y1371-Q1376 WeakPolarHBondContact O-CA 3.34Å; Y1371-Q1376 PolarHBondContact O-N 2.72Å; N1374-Q1376 HydrophobicContact CB-CG 4.38Å; N1374-Q1376 PolarHBondContact ND2-NE2 2.92Å; N1374-Q1376 PolarHBondContact O-N 3.04Å; N1374-Q1376 VanDerWaalsContact O-N 3.09Å; Q1376-M1378 VanDerWaalsContact C-N 3.31Å; Q1376-M1378 PolarHBondContact O-N 2.81Å; Q1376-P1379 HydrophobicContact CB-CG 4.22Å; Q1376-P1379 WeakPolarHBondContact O-CD 3.47Å; Q1376-A1380 PolarHBondContact O-N 3.21Å
1377L90.9Very high90.9Very high37 Ų3751 Ų5119%0.19424%0.24CC..Hα-helixtrans-58.9-35.9-173.3-59.1179.8000114.1F1372 H1375 A1380 M1381 I1404 H1407F1372-L1377 HydrophobicContact CD2-CD2 3.84Å; F1372-L1377 HydrophobicContact CE2-CD2 4.06Å; H1375-L1377 VanDerWaalsContact C-N 3.32Å; H1375-L1377 PolarHBondContact O-N 2.98Å; L1377-A1380 PolarHBondContact O-N 3.44Å; L1377-M1381 WeakPolarHBondContact O-CB 3.2Å; L1377-M1381 PolarHBondContact O-N 3.46Å; L1377-I1404 HydrophobicContact CB-CG2 4.31Å; L1377-I1404 HydrophobicContact CD2-CG1 4.34Å; L1377-H1407 HydrophobicContact CD1-CB 4.05Å
1378M91.2Very high90.8Very high130 Ų13050.5 Ų50.564%0.6424%0.239SC*.Hα-helixtrans-69.5-51.3-177.8-72.9-63.4-68.200113.2Q1376 A1380 M1381 I1382Q1376-M1378 VanDerWaalsContact C-N 3.31Å; Q1376-M1378 PolarHBondContact O-N 2.81Å; M1378-A1380 VanDerWaalsContact C-N 3.29Å; M1378-A1380 PolarHBondContact O-N 3.26Å; M1378-M1381 PolarHBondContact O-N 2.86Å; M1378-I1382 WeakPolarHBondContact O-CG1 3.41Å; M1378-I1382 PolarHBondContact O-N 2.91Å
1379P92.1Very high90.6Very high46 Ų4658 Ų5830%0.29927%0.274SS..Hα-helixtrans-54.2-41.9167.4-29.736.3000113.7Y1371 Q1376 M1381 I1382 D1383Y1371-P1379 HydrophobicContact CD1-CB 3.82Å; Y1371-P1379 HydrophobicContact CD1-CG 4.48Å; Y1371-P1379 HydrophobicContact CD2-CB 3.56Å; Y1371-P1379 HydrophobicContact CE1-CB 3.96Å; Y1371-P1379 HydrophobicContact CE2-CB 3.69Å; Y1371-P1379 HydrophobicContact CG-CB 3.64Å; Q1376-P1379 HydrophobicContact CB-CG 4.22Å; Q1376-P1379 WeakPolarHBondContact O-CD 3.47Å; P1379-M1381 PolarHBondContact O-N 3.43Å; P1379-I1382 PolarHBondContact O-N 2.86Å; P1379-D1383 PolarHBondContact O-N 3.42Å; P1379-D1383 VanDerWaalsContact O-N 3.08Å
1380A92.7Very high90.4Very high0 Ų060.8 Ų60.80%029%0.288CS..Hα-helixtrans-59.6-47.6178.700000112.5G1368 F1372 Q1376 L1377 M1378 I1382 D1383 F1384 I1404G1368-A1380 VanDerWaalsContact O-CB 3.32Å; G1368-A1380 WeakPolarHBondContact O-CB 3.48Å; F1372-A1380 HydrophobicContact CB-CB 4.23Å; Q1376-A1380 PolarHBondContact O-N 3.21Å; L1377-A1380 PolarHBondContact O-N 3.44Å; M1378-A1380 VanDerWaalsContact C-N 3.29Å; M1378-A1380 PolarHBondContact O-N 3.26Å; A1380-I1382 VanDerWaalsContact C-N 3.29Å; A1380-I1382 PolarHBondContact O-N 2.97Å; A1380-D1383 PolarHBondContact O-N 3.18Å; A1380-F1384 HydrophobicContact CB-CD2 4.42Å; A1380-F1384 HydrophobicContact CB-CE2 4Å; A1380-F1384 WeakPolarHBondContact O-CD2 3.45Å; A1380-F1384 WeakPolarHBondContact O-CG 3.5Å; A1380-F1384 PolarHBondContact O-N 3.1Å; A1380-I1404 HydrophobicContact CB-CD1 3.8Å
1381M92.3Very high89.8Confident19 Ų1962.5 Ų62.59%0.09430%0.297CS..Hα-helixtrans-61.4-34.5177.9177.258.573.300112.8L1377 M1378 P1379 K1385 Q1401 I1404 Y1405L1377-M1381 WeakPolarHBondContact O-CB 3.2Å; L1377-M1381 PolarHBondContact O-N 3.46Å; M1378-M1381 PolarHBondContact O-N 2.86Å; P1379-M1381 PolarHBondContact O-N 3.43Å; M1381-K1385 HydrophobicContact CG-CD 4.28Å; M1381-K1385 WeakPolarHBondContact O-CB 3.21Å; M1381-K1385 VanDerWaalsContact O-CG 3.32Å; M1381-K1385 WeakPolarHBondContact O-CG 3.43Å; M1381-K1385 PolarHBondContact O-N 2.74Å; M1381-K1385 HydrophobicContact SD-CD 4.02Å; M1381-K1385 WeakPolarHBondContact SD-CE 3.44Å; M1381-K1385 HydrophobicContact SD-CG 4.27Å; M1381-Q1401 HydrophobicContact CE-CG 4.03Å; M1381-Q1401 HydrophobicContact SD-CG 3.97Å; M1381-I1404 HydrophobicContact CB-CD1 4.16Å; M1381-I1404 HydrophobicContact CE-CB 3.8Å; M1381-I1404 HydrophobicContact CE-CD1 4.38Å; M1381-I1404 HydrophobicContact CE-CG2 3.61Å; M1381-Y1405 HydrophobicContact CE-CD2 4.01Å; M1381-Y1405 HydrophobicContact CE-CE1 4.37Å; M1381-Y1405 HydrophobicContact CE-CE2 3.66Å; M1381-Y1405 HydrophobicContact SD-CE2 4.4Å
1382I92.3Very high89.2Confident93 Ų9364 Ų6448%0.47731%0.313SS..Hα-helixtrans-67.1-48.6175.4-67.1165.8000110.2M1378 P1379 A1380 F1384 K1385 N1386M1378-I1382 WeakPolarHBondContact O-CG1 3.41Å; M1378-I1382 PolarHBondContact O-N 2.91Å; P1379-I1382 PolarHBondContact O-N 2.86Å; A1380-I1382 VanDerWaalsContact C-N 3.29Å; A1380-I1382 PolarHBondContact O-N 2.97Å; I1382-F1384 PolarHBondContact O-N 3.19Å; I1382-K1385 PolarHBondContact O-N 3.17Å; I1382-N1386 PolarHBondContact O-N 3.28Å; I1382-N1386 PolarHBondContact O-ND2 3.42Å
1383D91.3Very high88.5Confident4 Ų465.8 Ų65.82%0.02133%0.326CS..Hα-helixtrans-65.7-39.7-178.2-82.3-12.5000113.1L1364 R1367 Y1371 P1379 A1380 N1386 A1387L1364-D1383 HydrophobicContact CD2-CB 4.45Å; L1364-D1383 WeakPolarHBondContact CD2-OD1 3.37Å; R1367-D1383 IonicContact CZ-OD1 3.82Å; R1367-D1383 IonicContact CZ-OD2 2.69Å; R1367-D1383 IonicContact NE-OD1 2.75Å; R1367-D1383 IonicContact NE-OD2 2.78Å; R1367-D1383 PolarHBondContact NE-OD2 3.15Å; R1367-D1383 VanDerWaalsContact NH2-CG 3.31Å; R1367-D1383 IonicContact NH2-OD1 3.84Å; R1367-D1383 PolarHBondContact NH2-OD1 3.16Å; R1367-D1383 IonicContact NH2-OD2 3.46Å; R1367-D1383 PolarHBondContact NH2-OD2 3.46Å; R1367-D1383 VanDerWaalsContact NH2-OD2 3.12Å; Y1371-D1383 WeakPolarHBondContact CE2-OD2 3.46Å; P1379-D1383 PolarHBondContact O-N 3.42Å; P1379-D1383 VanDerWaalsContact O-N 3.08Å; A1380-D1383 PolarHBondContact O-N 3.18Å; D1383-N1386 PolarHBondContact O-N 3.43Å; D1383-A1387 WeakPolarHBondContact O-CB 3.41Å; D1383-A1387 PolarHBondContact O-N 3.02Å
1384F92.1Very high88Confident0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-65.2-39.8174.5-64.4-51000112.3V1365 V1369 A1380 I1382 A1387 I1388 A1397 H1400 I1404V1365-F1384 HydrophobicContact CG1-CE1 4.15Å; V1365-F1384 WeakPolarHBondContact O-CE1 3.34Å; V1369-F1384 HydrophobicContact CG2-CE1 4.04Å; V1369-F1384 HydrophobicContact CG2-CZ 3.91Å; V1369-F1384 VanDerWaalsContact N-CZ 3.35Å; A1380-F1384 HydrophobicContact CB-CD2 4.42Å; A1380-F1384 HydrophobicContact CB-CE2 4Å; A1380-F1384 WeakPolarHBondContact O-CD2 3.45Å; A1380-F1384 WeakPolarHBondContact O-CG 3.5Å; A1380-F1384 PolarHBondContact O-N 3.1Å; I1382-F1384 PolarHBondContact O-N 3.19Å; F1384-A1387 PolarHBondContact O-N 3.03Å; F1384-I1388 WeakPolarHBondContact O-CD1 3.42Å; F1384-I1388 VanDerWaalsContact O-CG1 3.29Å; F1384-I1388 WeakPolarHBondContact O-CG1 3.45Å; F1384-I1388 PolarHBondContact O-N 3.26Å; F1384-A1397 HydrophobicContact CB-CB 4.49Å; F1384-A1397 HydrophobicContact CD1-CB 4.26Å; F1384-H1400 HydrophobicContact CD1-CB 4.28Å; F1384-H1400 HydrophobicContact CD2-CB 4.02Å; F1384-H1400 HydrophobicContact CE1-CB 3.71Å; F1384-H1400 HydrophobicContact CE2-CB 3.42Å; F1384-H1400 VanDerWaalsContact CE2-CB 3.42Å; F1384-H1400 HydrophobicContact CG-CB 4.43Å; F1384-H1400 HydrophobicContact CZ-CB 3.22Å; F1384-H1400 AromaticContact CZ-CG 3.75Å; F1384-I1404 HydrophobicContact CD2-CD1 3.75Å; F1384-I1404 HydrophobicContact CE2-CD1 3.84Å
1385K91.4Very high87.5Confident86 Ų8657.9 Ų57.937%0.37430%0.297SS..Hα-helixtrans-62.5-43.9173.9-78.3172.9173.9168.20111.9M1381 I1382 I1388 Q1389M1381-K1385 HydrophobicContact CG-CD 4.28Å; M1381-K1385 WeakPolarHBondContact O-CB 3.21Å; M1381-K1385 VanDerWaalsContact O-CG 3.32Å; M1381-K1385 WeakPolarHBondContact O-CG 3.43Å; M1381-K1385 PolarHBondContact O-N 2.74Å; M1381-K1385 HydrophobicContact SD-CD 4.02Å; M1381-K1385 WeakPolarHBondContact SD-CE 3.44Å; M1381-K1385 HydrophobicContact SD-CG 4.27Å; I1382-K1385 PolarHBondContact O-N 3.17Å; K1385-I1388 PolarHBondContact O-N 3.02Å; K1385-Q1389 WeakPolarHBondContact O-CG 3.48Å; K1385-Q1389 PolarHBondContact O-N 3.29Å; K1385-Q1389 VanDerWaalsContact O-N 3.09Å
1386N90Very high87.1Confident59 Ų5952.6 Ų52.632%0.31627%0.274SS..Hα-helixtrans-64.2-39.3175.9-64.9-20.2000111.7L1364 I1382 D1383 Q1389 L1390L1364-N1386 HydrophobicContact CD1-CB 3.97Å; I1382-N1386 PolarHBondContact O-N 3.28Å; I1382-N1386 PolarHBondContact O-ND2 3.42Å; D1383-N1386 PolarHBondContact O-N 3.43Å; N1386-Q1389 PolarHBondContact O-N 3.06Å; N1386-L1390 PolarHBondContact O-N 3.38Å
1387A88.9Confident86.9Confident0 Ų049 Ų490%026%0.257CS..Hα-helixtrans-64.8-38.6176.200000112.8A1361 L1364 V1365 D1383 F1384 Q1389 L1390 D1391 A1397A1361-A1387 HydrophobicContact CB-CB 4.48Å; L1364-A1387 HydrophobicContact CB-CB 4.03Å; V1365-A1387 HydrophobicContact CG2-CB 3.57Å; D1383-A1387 WeakPolarHBondContact O-CB 3.41Å; D1383-A1387 PolarHBondContact O-N 3.02Å; F1384-A1387 PolarHBondContact O-N 3.03Å; A1387-Q1389 VanDerWaalsContact C-N 3.34Å; A1387-L1390 PolarHBondContact O-N 3.19Å; A1387-D1391 PolarHBondContact O-N 3.12Å; A1387-A1397 HydrophobicContact CB-CB 4.29Å
1388I87.8Confident86.7Confident26 Ų2648.4 Ų48.413%0.13325%0.252CS..Hα-helixtrans-68.5-32.6175.8-68.7161.1000111.6F1384 K1385 L1390 D1391 S1392 A1397 Y1398F1384-I1388 WeakPolarHBondContact O-CD1 3.42Å; F1384-I1388 VanDerWaalsContact O-CG1 3.29Å; F1384-I1388 WeakPolarHBondContact O-CG1 3.45Å; F1384-I1388 PolarHBondContact O-N 3.26Å; K1385-I1388 PolarHBondContact O-N 3.02Å; I1388-L1390 VanDerWaalsContact C-N 3.31Å; I1388-D1391 CarbonylContact O-C 3.46Å; I1388-S1392 WeakPolarHBondContact O-CA 3.4Å; I1388-S1392 PolarHBondContact O-N 2.96Å; I1388-A1397 HydrophobicContact CD1-CB 3.99Å; I1388-A1397 HydrophobicContact CG1-CB 3.59Å; I1388-Y1398 HydrophobicContact CD1-CD1 3.69Å; I1388-Y1398 HydrophobicContact CD1-CE1 3.81Å; I1388-Y1398 HydrophobicContact CD1-CG 4.18Å; I1388-Y1398 HydrophobicContact CG1-CD1 4.37Å; I1388-Y1398 HydrophobicContact CG1-CE1 4.25Å; I1388-Y1398 HydrophobicContact CG1-CE2 4.49Å; I1388-Y1398 HydrophobicContact CG2-CE1 3.97Å; I1388-Y1398 HydrophobicContact CG2-CE2 4.44Å
1389Q88.8Confident86.6Confident157 Ų15744.4 Ų44.473%0.73423%0.23SC*.Hα-helixtrans-68.1-29.2173.2-72.4175.11.100113K1385 N1386 A1387K1385-Q1389 WeakPolarHBondContact O-CG 3.48Å; K1385-Q1389 PolarHBondContact O-N 3.29Å; K1385-Q1389 VanDerWaalsContact O-N 3.09Å; N1386-Q1389 PolarHBondContact O-N 3.06Å; A1387-Q1389 VanDerWaalsContact C-N 3.34Å
1390L86.2Confident86.4Confident87 Ų8743.7 Ų43.746%0.45522%0.223SC..Hα-helixtrans-87.4-38.6176.8-68.2176.9000113.2A1361 L1364 N1386 A1387 I1388A1361-L1390 HydrophobicContact CB-CB 3.89Å; A1361-L1390 HydrophobicContact CB-CD1 4.46Å; L1364-L1390 HydrophobicContact CD1-CD1 3.74Å; N1386-L1390 PolarHBondContact O-N 3.38Å; A1387-L1390 PolarHBondContact O-N 3.19Å; I1388-L1390 VanDerWaalsContact C-N 3.31Å
1391D78.7Confident86.3Confident36 Ų3644.5 Ų44.519%0.19323%0.227CC..  trans-136.697173.7-177.84.6000110.6K158 A1361 A1387 I1388 T1393 N1394K158-D1391 IonicContact NZ-OD1 2.64Å; K158-D1391 IonicContact NZ-OD2 2.71Å; K158-D1391 PolarHBondContact NZ-OD2 3.02Å; A1361-D1391 HydrophobicContact CB-CB 4.11Å; A1387-D1391 PolarHBondContact O-N 3.12Å; I1388-D1391 CarbonylContact O-C 3.46Å; D1391-T1393 PolarHBondContact O-N 3.4Å; D1391-T1393 VanDerWaalsContact O-N 3.08Å; D1391-T1393 WeakPolarHBondContact OD1-CA 3.25Å; D1391-T1393 WeakPolarHBondContact OD1-CB 3.29Å; D1391-T1393 PolarHBondContact OD1-N 2.57Å; D1391-T1393 PolarHBondContact OD1-OG1 2.9Å; D1391-T1393 PolarHBondContact OD2-OG1 3.38Å; D1391-N1394 HydrophobicContact CB-CB 4.22Å; D1391-N1394 WeakPolarHBondContact O-CB 3.38Å; D1391-N1394 PolarHBondContact O-N 3.4Å; D1391-N1394 VanDerWaalsContact O-N 3.08Å
1392S80.4Confident86.1Confident68 Ų6843.6 Ų43.648%0.47622%0.222SC..THydrogen-bonded Turntrans-68.9-0.5176.556.40000114.2I1388I1388-S1392 WeakPolarHBondContact O-CA 3.4Å; I1388-S1392 PolarHBondContact O-N 2.96Å
1393T76.5Confident86Confident69 Ų6940.6 Ų40.642%0.42321%0.207SC..THydrogen-bonded Turntrans-99.88.617173.10000113.1K158 D1391 H1395K158-T1393 PolarHBondContact NZ-OG1 3.45Å; D1391-T1393 PolarHBondContact O-N 3.4Å; D1391-T1393 VanDerWaalsContact O-N 3.08Å; D1391-T1393 WeakPolarHBondContact OD1-CA 3.25Å; D1391-T1393 WeakPolarHBondContact OD1-CB 3.29Å; D1391-T1393 PolarHBondContact OD1-N 2.57Å; D1391-T1393 PolarHBondContact OD1-OG1 2.9Å; D1391-T1393 PolarHBondContact OD2-OG1 3.38Å; T1393-H1395 PolarHBondContact O-CE1 3.05Å; T1393-H1395 PolarHBondContact O-N 3.18Å; T1393-H1395 VanDerWaalsContact O-N 3.09Å; T1393-H1395 PolarHBondContact O-ND1 2.97Å
1394N77.2Confident85.9Confident22 Ų2240.4 Ų40.412%0.11821%0.206CC..  trans-81.690.3-172.3-164.8-25.6000113V1365 D1391 L1396 A1397 Y1398V1365-N1394 VanDerWaalsContact CG2-ND2 3.27Å; V1365-N1394 WeakPolarHBondContact CG2-ND2 3.42Å; D1391-N1394 HydrophobicContact CB-CB 4.22Å; D1391-N1394 WeakPolarHBondContact O-CB 3.38Å; D1391-N1394 PolarHBondContact O-N 3.4Å; D1391-N1394 VanDerWaalsContact O-N 3.08Å; N1394-L1396 VanDerWaalsContact C-N 3.31Å; N1394-L1396 PolarHBondContact O-N 2.96Å; N1394-L1396 PolarHBondContact OD1-N 3.41Å; N1394-A1397 HydrophobicContact CB-CB 4.21Å; N1394-A1397 PolarHBondContact O-N 3.06Å; N1394-A1397 PolarHBondContact OD1-N 3.46Å; N1394-Y1398 WeakPolarHBondContact O-CD2 3.48Å; N1394-Y1398 PolarHBondContact O-N 3.3Å
1395H77.5Confident85.9Confident37 Ų3741.9 Ų41.917%0.17121%0.212CC..Hα-helixtrans-56.2-39.7-178.4-48.2-42.4000113.5T1393 A1397 Y1398 Y1399 L1421 N1425T1393-H1395 PolarHBondContact O-CE1 3.05Å; T1393-H1395 PolarHBondContact O-N 3.18Å; T1393-H1395 VanDerWaalsContact O-N 3.09Å; T1393-H1395 PolarHBondContact O-ND1 2.97Å; H1395-A1397 VanDerWaalsContact C-N 3.31Å; H1395-A1397 PolarHBondContact O-N 2.95Å; H1395-Y1398 PolarHBondContact O-N 2.98Å; H1395-Y1399 WeakPolarHBondContact O-CB 3.33Å; H1395-Y1399 PolarHBondContact O-N 3.36Å; H1395-L1421 HydrophobicContact CB-CD1 4.3Å; H1395-L1421 VanDerWaalsContact O-CD1 3.28Å; H1395-L1421 WeakPolarHBondContact O-CD1 3.29Å; H1395-N1425 PolarHBondContact CE1-OD1 2.92Å
1396L79.9Confident85.7Confident54 Ų5439.3 Ų39.328%0.28320%0.202SC..Hα-helixtrans-63.4-37.5-179.5-70.3172.5000112.1N155 V1365 N1394 Y1399 H1400N155-L1396 HydrophobicContact CB-CD1 4.17Å; V1365-L1396 HydrophobicContact CG1-CB 3.88Å; N1394-L1396 VanDerWaalsContact C-N 3.31Å; N1394-L1396 PolarHBondContact O-N 2.96Å; N1394-L1396 PolarHBondContact OD1-N 3.41Å; L1396-Y1399 PolarHBondContact O-N 2.67Å; L1396-H1400 PolarHBondContact O-CD2 2.88Å; L1396-H1400 VanDerWaalsContact O-CD2 3.29Å; L1396-H1400 PolarHBondContact O-N 3.17Å
1397A86.2Confident85.5Confident0 Ų042.3 Ų42.30%021%0.214CC..Hα-helixtrans-65.5-46.9177.800000111.6V1365 F1384 A1387 I1388 N1394 H1395 Q1401V1365-A1397 HydrophobicContact CG2-CB 3.88Å; F1384-A1397 HydrophobicContact CB-CB 4.49Å; F1384-A1397 HydrophobicContact CD1-CB 4.26Å; A1387-A1397 HydrophobicContact CB-CB 4.29Å; I1388-A1397 HydrophobicContact CD1-CB 3.99Å; I1388-A1397 HydrophobicContact CG1-CB 3.59Å; N1394-A1397 HydrophobicContact CB-CB 4.21Å; N1394-A1397 PolarHBondContact O-N 3.06Å; N1394-A1397 PolarHBondContact OD1-N 3.46Å; H1395-A1397 VanDerWaalsContact C-N 3.31Å; H1395-A1397 PolarHBondContact O-N 2.95Å; A1397-Q1401 WeakPolarHBondContact O-CB 3.46Å; A1397-Q1401 PolarHBondContact O-N 3.35Å
1398Y87.7Confident85.5Confident23 Ų2346.8 Ų46.89%0.0924%0.235CC..Hα-helixtrans-62.9-41.2174.9-72.9-63.7000112.5I1388 N1394 H1395 Q1401 S1402 I1417 I1420 Y1424I1388-Y1398 HydrophobicContact CD1-CD1 3.69Å; I1388-Y1398 HydrophobicContact CD1-CE1 3.81Å; I1388-Y1398 HydrophobicContact CD1-CG 4.18Å; I1388-Y1398 HydrophobicContact CG1-CD1 4.37Å; I1388-Y1398 HydrophobicContact CG1-CE1 4.25Å; I1388-Y1398 HydrophobicContact CG1-CE2 4.49Å; I1388-Y1398 HydrophobicContact CG2-CE1 3.97Å; I1388-Y1398 HydrophobicContact CG2-CE2 4.44Å; N1394-Y1398 WeakPolarHBondContact O-CD2 3.48Å; N1394-Y1398 PolarHBondContact O-N 3.3Å; H1395-Y1398 PolarHBondContact O-N 2.98Å; Y1398-Q1401 PolarHBondContact O-N 2.98Å; Y1398-S1402 PolarHBondContact O-N 3.22Å; Y1398-I1417 HydrophobicContact CD1-CG2 4.04Å; Y1398-I1417 WeakPolarHBondContact O-CG2 3.42Å; Y1398-I1420 HydrophobicContact CD1-CG2 4.46Å; Y1398-I1420 HydrophobicContact CE1-CG2 4.05Å; Y1398-Y1424 AromaticContact CE2-CE2 3.96Å; Y1398-Y1424 HydrophobicContact CE2-CE2 3.96Å
1399Y87.7Confident85.3Confident47 Ų4748.1 Ų48.118%0.18426%0.255CS..Hα-helixtrans-59.1-53.4177177.6-100000111.6H1395 L1396 Q1401 S1402 L1403 I1418 L1438H1395-Y1399 WeakPolarHBondContact O-CB 3.33Å; H1395-Y1399 PolarHBondContact O-N 3.36Å; L1396-Y1399 PolarHBondContact O-N 2.67Å; Y1399-Q1401 VanDerWaalsContact C-N 3.35Å; Y1399-Q1401 PolarHBondContact O-N 3.25Å; Y1399-S1402 PolarHBondContact O-N 3.34Å; Y1399-S1402 PolarHBondContact O-OG 3.14Å; Y1399-L1403 HydrophobicContact CD1-CD1 4.08Å; Y1399-L1403 HydrophobicContact CE1-CD1 3.53Å; Y1399-L1403 HydrophobicContact CE1-CG 4.44Å; Y1399-L1403 PolarHBondContact O-N 3.25Å; Y1399-L1403 VanDerWaalsContact O-N 3.15Å; Y1399-I1418 HydrophobicContact CD2-CD1 4.27Å; Y1399-L1438 HydrophobicContact CD2-CD2 3.86Å; Y1399-L1438 HydrophobicContact CE2-CB 4.06Å; Y1399-L1438 HydrophobicContact CE2-CD2 3.47Å; Y1399-L1438 VanDerWaalsContact CE2-CD2 3.47Å; Y1399-L1438 HydrophobicContact CE2-CG 4.4Å
1400H88.6Confident85.3Confident30 Ų3044.6 Ų44.614%0.13924%0.238CC..Hα-helixtrans-69.6-30.2178.5-74.8-73.2000113.5F1384 L1396 S1402 L1403 I1404F1384-H1400 HydrophobicContact CD1-CB 4.28Å; F1384-H1400 HydrophobicContact CD2-CB 4.02Å; F1384-H1400 HydrophobicContact CE1-CB 3.71Å; F1384-H1400 HydrophobicContact CE2-CB 3.42Å; F1384-H1400 VanDerWaalsContact CE2-CB 3.42Å; F1384-H1400 HydrophobicContact CG-CB 4.43Å; F1384-H1400 HydrophobicContact CZ-CB 3.22Å; F1384-H1400 AromaticContact CZ-CG 3.75Å; L1396-H1400 PolarHBondContact O-CD2 2.88Å; L1396-H1400 VanDerWaalsContact O-CD2 3.29Å; L1396-H1400 PolarHBondContact O-N 3.17Å; H1400-S1402 VanDerWaalsContact C-N 3.35Å; H1400-L1403 PolarHBondContact O-N 3.28Å; H1400-I1404 WeakPolarHBondContact O-CG1 3.32Å; H1400-I1404 PolarHBondContact O-N 3Å; H1400-I1404 VanDerWaalsContact O-N 3.08Å
1401Q90.1Very high85.4Confident18 Ų1842 Ų428%0.08423%0.225CC..Hα-helixtrans-59.4-45.7170-172.2-173.49.200111M1381 A1397 Y1398 Y1399 L1403 I1404 Y1405 I1417M1381-Q1401 HydrophobicContact CE-CG 4.03Å; M1381-Q1401 HydrophobicContact SD-CG 3.97Å; A1397-Q1401 WeakPolarHBondContact O-CB 3.46Å; A1397-Q1401 PolarHBondContact O-N 3.35Å; Y1398-Q1401 PolarHBondContact O-N 2.98Å; Y1399-Q1401 VanDerWaalsContact C-N 3.35Å; Y1399-Q1401 PolarHBondContact O-N 3.25Å; Q1401-L1403 VanDerWaalsContact C-N 3.33Å; Q1401-L1403 PolarHBondContact O-N 3.38Å; Q1401-I1404 PolarHBondContact O-N 2.83Å; Q1401-Y1405 HydrophobicContact CG-CD2 4.02Å; Q1401-Y1405 HydrophobicContact CG-CE2 3.68Å; Q1401-Y1405 WeakPolarHBondContact O-CD2 3.32Å; Q1401-Y1405 PolarHBondContact O-N 3.43Å; Q1401-Y1405 VanDerWaalsContact O-N 3.11Å; Q1401-I1417 HydrophobicContact CG-CD1 4.01Å
1402S89.1Confident85.8Confident0 Ų047.3 Ų47.30%025%0.248CC..Hα-helixtrans-63.8-34.3177.577.30000113.2Y1398 Y1399 H1400 Y1405 L1406 S1414 L1438Y1398-S1402 PolarHBondContact O-N 3.22Å; Y1399-S1402 PolarHBondContact O-N 3.34Å; Y1399-S1402 PolarHBondContact O-OG 3.14Å; H1400-S1402 VanDerWaalsContact C-N 3.35Å; S1402-Y1405 PolarHBondContact O-N 3.24Å; S1402-L1406 PolarHBondContact O-N 3.3Å; S1402-L1406 VanDerWaalsContact O-N 3.09Å; S1402-S1414 WeakPolarHBondContact CB-OG 3.44Å; S1402-S1414 WeakPolarHBondContact O-CB 3.26Å; S1402-S1414 PolarHBondContact O-OG 3.49Å; S1402-L1438 WeakPolarHBondContact OG-CD2 3.34Å
1403L89.4Confident86.2Confident29 Ų2948.3 Ų48.315%0.15225%0.246CC..Hα-helixtrans-65.6-41.1172.9-74.1171.9000112.3F1372 Y1399 H1400 Q1401 Y1405 L1406 H1407 L1438F1372-L1403 HydrophobicContact CE2-CB 4.06Å; F1372-L1403 HydrophobicContact CZ-CB 3.93Å; F1372-L1403 HydrophobicContact CZ-CD1 4.3Å; Y1399-L1403 HydrophobicContact CD1-CD1 4.08Å; Y1399-L1403 HydrophobicContact CE1-CD1 3.53Å; Y1399-L1403 HydrophobicContact CE1-CG 4.44Å; Y1399-L1403 PolarHBondContact O-N 3.25Å; Y1399-L1403 VanDerWaalsContact O-N 3.15Å; H1400-L1403 PolarHBondContact O-N 3.28Å; Q1401-L1403 VanDerWaalsContact C-N 3.33Å; Q1401-L1403 PolarHBondContact O-N 3.38Å; L1403-Y1405 VanDerWaalsContact C-N 3.31Å; L1403-Y1405 PolarHBondContact O-N 2.93Å; L1403-L1406 PolarHBondContact O-N 3.45Å; L1403-H1407 PolarHBondContact O-CD2 3.13Å; L1403-H1407 VanDerWaalsContact O-CD2 3.24Å; L1403-H1407 PolarHBondContact O-N 2.77Å; L1403-L1438 HydrophobicContact CD2-CD1 3.72Å; L1403-L1438 HydrophobicContact CD2-CD2 3.69Å; L1403-L1438 HydrophobicContact CD2-CG 4.4Å; L1403-L1438 HydrophobicContact CG-CD2 3.82Å
1404I90.7Very high86.9Confident0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-64.7-38.6175.8-62.8165.6000110.7F1372 L1377 A1380 M1381 F1384 H1400 Q1401 L1406 H1407 H1408F1372-I1404 HydrophobicContact CD2-CD1 4.27Å; F1372-I1404 HydrophobicContact CD2-CG1 3.64Å; F1372-I1404 HydrophobicContact CE2-CG1 3.81Å; L1377-I1404 HydrophobicContact CB-CG2 4.31Å; L1377-I1404 HydrophobicContact CD2-CG1 4.34Å; A1380-I1404 HydrophobicContact CB-CD1 3.8Å; M1381-I1404 HydrophobicContact CB-CD1 4.16Å; M1381-I1404 HydrophobicContact CE-CB 3.8Å; M1381-I1404 HydrophobicContact CE-CD1 4.38Å; M1381-I1404 HydrophobicContact CE-CG2 3.61Å; F1384-I1404 HydrophobicContact CD2-CD1 3.75Å; F1384-I1404 HydrophobicContact CE2-CD1 3.84Å; H1400-I1404 WeakPolarHBondContact O-CG1 3.32Å; H1400-I1404 PolarHBondContact O-N 3Å; H1400-I1404 VanDerWaalsContact O-N 3.08Å; Q1401-I1404 PolarHBondContact O-N 2.83Å; I1404-L1406 VanDerWaalsContact C-N 3.34Å; I1404-L1406 PolarHBondContact O-N 3.4Å; I1404-H1407 PolarHBondContact O-N 3.32Å; I1404-H1408 PolarHBondContact O-CD2 2.9Å; I1404-H1408 VanDerWaalsContact O-CD2 3.25Å; I1404-H1408 PolarHBondContact O-N 2.85Å; I1404-H1408 VanDerWaalsContact O-N 3.12Å
1405Y90.8Very high87.4Confident31 Ų3145.2 Ų45.212%0.12223%0.226CC..Hα-helixtrans-61.9-38.8174.2-79.2-64.9000112.8M1381 Q1401 S1402 L1403 H1408 G1409 Q1410 Q1413 I1417M1381-Y1405 HydrophobicContact CE-CD2 4.01Å; M1381-Y1405 HydrophobicContact CE-CE1 4.37Å; M1381-Y1405 HydrophobicContact CE-CE2 3.66Å; M1381-Y1405 HydrophobicContact SD-CE2 4.4Å; Q1401-Y1405 HydrophobicContact CG-CD2 4.02Å; Q1401-Y1405 HydrophobicContact CG-CE2 3.68Å; Q1401-Y1405 WeakPolarHBondContact O-CD2 3.32Å; Q1401-Y1405 PolarHBondContact O-N 3.43Å; Q1401-Y1405 VanDerWaalsContact O-N 3.11Å; S1402-Y1405 PolarHBondContact O-N 3.24Å; L1403-Y1405 VanDerWaalsContact C-N 3.31Å; L1403-Y1405 PolarHBondContact O-N 2.93Å; Y1405-H1408 PolarHBondContact O-N 3.47Å; Y1405-G1409 PolarHBondContact O-N 2.77Å; Y1405-Q1410 HydrophobicContact CD1-CB 3.91Å; Y1405-Q1410 PolarHBondContact O-N 2.76Å; Y1405-Q1413 HydrophobicContact CD1-CB 3.74Å; Y1405-Q1413 HydrophobicContact CE1-CB 4.05Å; Y1405-Q1413 HydrophobicContact CG-CB 4.03Å; Y1405-I1417 HydrophobicContact CD2-CD1 3.42Å; Y1405-I1417 VanDerWaalsContact CD2-CD1 3.42Å; Y1405-I1417 HydrophobicContact CE2-CD1 3.23Å
1406L88.1Confident88Confident33 Ų3347.4 Ų47.417%0.17324%0.242CC..Hα-helixtrans-63.9-42.7171.1-80.6163.6000112.9S1402 L1403 I1404 H1408 G1409 S1414 L1438 I1442 I1445S1402-L1406 PolarHBondContact O-N 3.3Å; S1402-L1406 VanDerWaalsContact O-N 3.09Å; L1403-L1406 PolarHBondContact O-N 3.45Å; I1404-L1406 VanDerWaalsContact C-N 3.34Å; I1404-L1406 PolarHBondContact O-N 3.4Å; L1406-H1408 PolarHBondContact O-N 3.24Å; L1406-G1409 PolarHBondContact O-N 3.5Å; L1406-S1414 WeakPolarHBondContact CG-OG 3.43Å; L1406-L1438 HydrophobicContact CD1-CD1 3.58Å; L1406-L1438 HydrophobicContact CD1-CG 4.39Å; L1406-I1442 HydrophobicContact CD1-CD1 4.35Å; L1406-I1442 HydrophobicContact CD1-CG1 3.8Å; L1406-I1442 HydrophobicContact CD2-CG1 4.08Å; L1406-I1442 HydrophobicContact CG-CG1 4.26Å; L1406-I1445 HydrophobicContact CD2-CD1 4.03Å
1407H85.8Confident88.4Confident122 Ų12245.6 Ų45.657%0.56523%0.232SC*.Hα-helixtrans-62.3-20.9175.7-83-71.8000113.8F1372 L1377 L1403 I1404F1372-H1407 AromaticContact CE2-CD2 3.7Å; F1372-H1407 AromaticContact CZ-CD2 3.72Å; F1372-H1407 AromaticContact CZ-NE2 3.59Å; L1377-H1407 HydrophobicContact CD1-CB 4.05Å; L1403-H1407 PolarHBondContact O-CD2 3.13Å; L1403-H1407 VanDerWaalsContact O-CD2 3.24Å; L1403-H1407 PolarHBondContact O-N 2.77Å; I1404-H1407 PolarHBondContact O-N 3.32Å
1408H88.2Confident88.4Confident93 Ų9345.6 Ų45.643%0.43123%0.232SC..THydrogen-bonded Turntrans-96.97.1172.1-67.6-54.3000114I1404 Y1405 L1406 Q1410I1404-H1408 PolarHBondContact O-CD2 2.9Å; I1404-H1408 VanDerWaalsContact O-CD2 3.25Å; I1404-H1408 PolarHBondContact O-N 2.85Å; I1404-H1408 VanDerWaalsContact O-N 3.12Å; Y1405-H1408 PolarHBondContact O-N 3.47Å; L1406-H1408 PolarHBondContact O-N 3.24Å; H1408-Q1410 HydrophobicContact CB-CG 4.3Å; H1408-Q1410 PolarHBondContact O-N 3.48Å
1409G84.1Confident88.4Confident55 Ų5546.4 Ų46.457%0.56724%0.238SC*.THydrogen-bonded Turntrans71.19.7-177.800000114.6Y1405 L1406 I1411Y1405-G1409 PolarHBondContact O-N 2.77Å; L1406-G1409 PolarHBondContact O-N 3.5Å; G1409-I1411 VanDerWaalsContact C-N 3.26Å; G1409-I1411 PolarHBondContact O-N 3.01Å
1410Q89.6Confident88.2Confident82 Ų8247.4 Ų47.438%0.38325%0.246SC..  trans-87.463.6-175.4-68.1176.7-33.100110.5Y1405 H1408 E1412 Q1413 S1414Y1405-Q1410 HydrophobicContact CD1-CB 3.91Å; Y1405-Q1410 PolarHBondContact O-N 2.76Å; H1408-Q1410 HydrophobicContact CB-CG 4.3Å; H1408-Q1410 PolarHBondContact O-N 3.48Å; Q1410-E1412 PolarHBondContact O-N 2.69Å; Q1410-Q1413 HydrophobicContact CB-CB 4.26Å; Q1410-Q1413 HydrophobicContact CB-CG 4.48Å; Q1410-Q1413 PolarHBondContact O-N 3.12Å; Q1410-Q1413 VanDerWaalsContact O-N 3.12Å; Q1410-S1414 PolarHBondContact O-N 3.36Å
1411I87Confident87.8Confident32 Ų3246 Ų4616%0.16424%0.24CC..Hα-helixtrans-52.8-51.1-171.1-59.3165.1000111.9G1409 Q1413 S1414 E1415 I1442 I1445 K1446G1409-I1411 VanDerWaalsContact C-N 3.26Å; G1409-I1411 PolarHBondContact O-N 3.01Å; I1411-Q1413 VanDerWaalsContact C-N 3.3Å; I1411-Q1413 PolarHBondContact O-N 3.39Å; I1411-S1414 WeakPolarHBondContact O-CB 3.44Å; I1411-S1414 PolarHBondContact O-N 3.03Å; I1411-S1414 VanDerWaalsContact O-N 3.16Å; I1411-E1415 PolarHBondContact O-N 3.07Å; I1411-I1442 HydrophobicContact CG2-CG2 4.08Å; I1411-I1445 HydrophobicContact CD1-CG2 3.79Å; I1411-I1445 HydrophobicContact CG1-CG2 4.23Å; I1411-K1446 HydrophobicContact CG2-CB 4.2Å
1412E87.4Confident87.2Confident148 Ų14846 Ų4669%0.69224%0.24SC*.Hα-helixtrans-61.8-36.1-179.2-57-173.5140.200113.1Q1410 E1415 T1416Q1410-E1412 PolarHBondContact O-N 2.69Å; E1412-E1415 PolarHBondContact O-N 3.27Å; E1412-T1416 WeakPolarHBondContact O-CG2 3.19Å; E1412-T1416 PolarHBondContact O-N 3.46Å; E1412-T1416 PolarHBondContact O-OG1 3.42Å
1413Q89.4Confident86.6Confident89 Ų8952 Ų5242%0.41627%0.272SS..Hα-helixtrans-72.1-35178.9-60.9-174.17.100110.6Y1405 Q1410 I1411 T1416 I1417Y1405-Q1413 HydrophobicContact CD1-CB 3.74Å; Y1405-Q1413 HydrophobicContact CE1-CB 4.05Å; Y1405-Q1413 HydrophobicContact CG-CB 4.03Å; Q1410-Q1413 HydrophobicContact CB-CB 4.26Å; Q1410-Q1413 HydrophobicContact CB-CG 4.48Å; Q1410-Q1413 PolarHBondContact O-N 3.12Å; Q1410-Q1413 VanDerWaalsContact O-N 3.12Å; I1411-Q1413 VanDerWaalsContact C-N 3.3Å; I1411-Q1413 PolarHBondContact O-N 3.39Å; Q1413-T1416 PolarHBondContact O-OG1 3.14Å; Q1413-I1417 WeakPolarHBondContact O-CD1 3.31Å; Q1413-I1417 WeakPolarHBondContact O-CG1 3.36Å; Q1413-I1417 PolarHBondContact O-N 3.14Å
1414S89.9Confident85.5Confident0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-63.8-45.1169-165.90000112.1S1402 L1406 Q1410 I1411 I1417 I1418 I1442S1402-S1414 WeakPolarHBondContact CB-OG 3.44Å; S1402-S1414 WeakPolarHBondContact O-CB 3.26Å; S1402-S1414 PolarHBondContact O-OG 3.49Å; L1406-S1414 WeakPolarHBondContact CG-OG 3.43Å; Q1410-S1414 PolarHBondContact O-N 3.36Å; I1411-S1414 WeakPolarHBondContact O-CB 3.44Å; I1411-S1414 PolarHBondContact O-N 3.03Å; I1411-S1414 VanDerWaalsContact O-N 3.16Å; S1414-I1417 PolarHBondContact O-N 3.45Å; S1414-I1418 PolarHBondContact O-N 3.19Å; S1414-I1442 WeakPolarHBondContact OG-CD1 3.44Å
1415E88.5Confident83.6Confident27 Ų2757.3 Ų57.313%0.12629%0.293CS..Hα-helixtrans-63.1-43.7179.9-166.6176.5-173.500112.6I1411 E1412 I1417 N1419 I1442 K1446I1411-E1415 PolarHBondContact O-N 3.07Å; E1412-E1415 PolarHBondContact O-N 3.27Å; E1415-I1417 VanDerWaalsContact C-N 3.32Å; E1415-I1417 PolarHBondContact O-N 3.5Å; E1415-N1419 VanDerWaalsContact O-CB 3.28Å; E1415-N1419 WeakPolarHBondContact O-CB 3.48Å; E1415-N1419 VanDerWaalsContact O-CG 3.24Å; E1415-N1419 PolarHBondContact O-N 2.9Å; E1415-N1419 PolarHBondContact O-ND2 2.7Å; E1415-N1419 VanDerWaalsContact O-ND2 3.09Å; E1415-I1442 HydrophobicContact CB-CG2 3.83Å; E1415-I1442 HydrophobicContact CG-CG2 4.12Å; E1415-K1446 VanDerWaalsContact CD-NZ 3.34Å; E1415-K1446 IonicContact OE1-NZ 3.49Å; E1415-K1446 PolarHBondContact OE1-NZ 2.93Å; E1415-K1446 IonicContact OE2-NZ 2.69Å; E1415-K1446 PolarHBondContact OE2-NZ 3.4Å
1416T89.8Confident81.3Confident82 Ų8263.3 Ų63.350%0.50333%0.327SS..Hα-helixtrans-62.6-39175.551.20000111.9E1412 Q1413 N1419 I1420E1412-T1416 WeakPolarHBondContact O-CG2 3.19Å; E1412-T1416 PolarHBondContact O-N 3.46Å; E1412-T1416 PolarHBondContact O-OG1 3.42Å; Q1413-T1416 PolarHBondContact O-OG1 3.14Å; T1416-N1419 PolarHBondContact O-N 3.15Å; T1416-I1420 VanDerWaalsContact O-CG1 3.28Å; T1416-I1420 WeakPolarHBondContact O-CG1 3.2Å; T1416-I1420 PolarHBondContact O-N 3.2Å
1417I87.6Confident79.2Confident17 Ų1767 Ų679%0.08734%0.344CS..Hα-helixtrans-73.8-40.5-179.9-70.5165.1000112.4Y1398 Q1401 Y1405 Q1413 S1414 E1415 N1419 I1420 L1421Y1398-I1417 HydrophobicContact CD1-CG2 4.04Å; Y1398-I1417 WeakPolarHBondContact O-CG2 3.42Å; Q1401-I1417 HydrophobicContact CG-CD1 4.01Å; Y1405-I1417 HydrophobicContact CD2-CD1 3.42Å; Y1405-I1417 VanDerWaalsContact CD2-CD1 3.42Å; Y1405-I1417 HydrophobicContact CE2-CD1 3.23Å; Q1413-I1417 WeakPolarHBondContact O-CD1 3.31Å; Q1413-I1417 WeakPolarHBondContact O-CG1 3.36Å; Q1413-I1417 PolarHBondContact O-N 3.14Å; S1414-I1417 PolarHBondContact O-N 3.45Å; E1415-I1417 VanDerWaalsContact C-N 3.32Å; E1415-I1417 PolarHBondContact O-N 3.5Å; I1417-N1419 VanDerWaalsContact C-N 3.28Å; I1417-N1419 PolarHBondContact O-N 2.97Å; I1417-I1420 WeakPolarHBondContact O-CB 3.26Å; I1417-I1420 PolarHBondContact O-N 3.32Å; I1417-L1421 PolarHBondContact O-N 3.07Å
1418I87.2Confident77.1Confident0 Ų064.3 Ų64.30%034%0.338CS..Hα-helixtrans-66.3-34.7175-147.872.3000110.8Y1399 S1414 L1421 L1422 L1438 R1439 I1442Y1399-I1418 HydrophobicContact CD2-CD1 4.27Å; S1414-I1418 PolarHBondContact O-N 3.19Å; I1418-L1421 PolarHBondContact O-N 3.37Å; I1418-L1422 VanDerWaalsContact O-CG 3.3Å; I1418-L1422 WeakPolarHBondContact O-CG 3.45Å; I1418-L1422 PolarHBondContact O-N 3.44Å; I1418-L1438 HydrophobicContact CD1-CB 4.44Å; I1418-L1438 HydrophobicContact CD1-CD2 3.98Å; I1418-L1438 HydrophobicContact CD1-CG 4.38Å; I1418-R1439 HydrophobicContact CG1-CB 4.49Å; I1418-R1439 HydrophobicContact CG2-CB 3.92Å; I1418-R1439 HydrophobicContact CG2-CG 3.79Å; I1418-I1442 HydrophobicContact CB-CD1 4.16Å; I1418-I1442 HydrophobicContact CG2-CD1 3.87Å
1419N86.5Confident75.2Confident40 Ų4065 Ų6521%0.21434%0.344CS..Hα-helixtrans-70-34.7173.6-73.7-31.8000112.5E1415 T1416 I1417 L1422 N1423 R1439E1415-N1419 VanDerWaalsContact O-CB 3.28Å; E1415-N1419 WeakPolarHBondContact O-CB 3.48Å; E1415-N1419 VanDerWaalsContact O-CG 3.24Å; E1415-N1419 PolarHBondContact O-N 2.9Å; E1415-N1419 PolarHBondContact O-ND2 2.7Å; E1415-N1419 VanDerWaalsContact O-ND2 3.09Å; T1416-N1419 PolarHBondContact O-N 3.15Å; I1417-N1419 VanDerWaalsContact C-N 3.28Å; I1417-N1419 PolarHBondContact O-N 2.97Å; N1419-L1422 PolarHBondContact O-N 3.48Å; N1419-N1423 WeakPolarHBondContact O-CB 3.45Å; N1419-N1423 PolarHBondContact O-N 3.37Å; N1419-N1423 PolarHBondContact O-ND2 3.5Å; N1419-N1423 VanDerWaalsContact O-ND2 3.12Å; N1419-R1439 VanDerWaalsContact OD1-CD 3.23Å; N1419-R1439 WeakPolarHBondContact OD1-CD 3.43Å; N1419-R1439 PolarHBondContact OD1-NH1 2.65Å
1420I83.9Confident73.5Confident67 Ų6764.2 Ų64.234%0.34433%0.329SS..Hα-helixtrans-59.9-48.9169.4-75.2163.2000110.4Y1398 T1416 I1417 L1422 N1423 Y1424Y1398-I1420 HydrophobicContact CD1-CG2 4.46Å; Y1398-I1420 HydrophobicContact CE1-CG2 4.05Å; T1416-I1420 VanDerWaalsContact O-CG1 3.28Å; T1416-I1420 WeakPolarHBondContact O-CG1 3.2Å; T1416-I1420 PolarHBondContact O-N 3.2Å; I1417-I1420 WeakPolarHBondContact O-CB 3.26Å; I1417-I1420 PolarHBondContact O-N 3.32Å; I1420-L1422 PolarHBondContact O-N 3.1Å; I1420-N1423 PolarHBondContact O-N 3.34Å; I1420-Y1424 HydrophobicContact CG2-CD2 4.1Å; I1420-Y1424 HydrophobicContact CG2-CE2 3.51Å; I1420-Y1424 WeakPolarHBondContact O-CD2 3.41Å; I1420-Y1424 PolarHBondContact O-N 3.24Å
1421L79.9Confident71.8Confident2 Ų262.6 Ų62.61%0.0132%0.323CS..Hα-helixtrans-56.8-47.3176.9176.5157.5000111.7H1395 I1417 I1418 N1425 S1435H1395-L1421 HydrophobicContact CB-CD1 4.3Å; H1395-L1421 VanDerWaalsContact O-CD1 3.28Å; H1395-L1421 WeakPolarHBondContact O-CD1 3.29Å; I1417-L1421 PolarHBondContact O-N 3.07Å; I1418-L1421 PolarHBondContact O-N 3.37Å; L1421-N1425 PolarHBondContact O-ND2 3.34Å; L1421-N1425 PolarHBondContact O-OD1 3.31Å; L1421-S1435 WeakPolarHBondContact CD2-OG 3.35Å
1422L79Confident70.8Confident17 Ų1763.2 Ų63.29%0.08933%0.327CS..Hα-helixtrans-69.7-36-179.1-68.4169.3000112.3I1418 N1419 I1420 Y1424 N1425 L1431 W1436I1418-L1422 VanDerWaalsContact O-CG 3.3Å; I1418-L1422 WeakPolarHBondContact O-CG 3.45Å; I1418-L1422 PolarHBondContact O-N 3.44Å; N1419-L1422 PolarHBondContact O-N 3.48Å; I1420-L1422 PolarHBondContact O-N 3.1Å; L1422-Y1424 VanDerWaalsContact C-N 3.33Å; L1422-Y1424 PolarHBondContact O-N 3.47Å; L1422-N1425 WeakPolarHBondContact O-CB 3.38Å; L1422-N1425 PolarHBondContact O-N 3.44Å; L1422-L1431 HydrophobicContact CD2-CD2 3.86Å; L1422-W1436 HydrophobicContact CD2-CD2 4.14Å; L1422-W1436 HydrophobicContact CD2-CG 4.44Å; L1422-W1436 HydrophobicContact CD2-CZ2 4.12Å
1423N75.7Confident70.1Confident126 Ų12656.2 Ų56.267%0.67429%0.294SS*.Hα-helixtrans-69-23.7-179.5-77.9-25.3000114.3N1419 I1420 N1425N1419-N1423 WeakPolarHBondContact O-CB 3.45Å; N1419-N1423 PolarHBondContact O-N 3.37Å; N1419-N1423 PolarHBondContact O-ND2 3.5Å; N1419-N1423 VanDerWaalsContact O-ND2 3.12Å; I1420-N1423 PolarHBondContact O-N 3.34Å; N1423-N1425 PolarHBondContact O-N 2.9Å
1424Y66.5Low69.6Low113 Ų11353.1 Ų53.144%0.44328%0.282SS..THydrogen-bonded Turntrans-67.5-21.1173.4-78.5-61.5000113.1Y1398 I1420 L1422 N1426Y1398-Y1424 AromaticContact CE2-CE2 3.96Å; Y1398-Y1424 HydrophobicContact CE2-CE2 3.96Å; I1420-Y1424 HydrophobicContact CG2-CD2 4.1Å; I1420-Y1424 HydrophobicContact CG2-CE2 3.51Å; I1420-Y1424 WeakPolarHBondContact O-CD2 3.41Å; I1420-Y1424 PolarHBondContact O-N 3.24Å; L1422-Y1424 VanDerWaalsContact C-N 3.33Å; L1422-Y1424 PolarHBondContact O-N 3.47Å; Y1424-N1426 VanDerWaalsContact C-N 3.27Å; Y1424-N1426 PolarHBondContact O-N 2.94Å
1425N50.4Low69.2Low28 Ų2853.3 Ų53.315%0.1528%0.284CS..THydrogen-bonded Turntrans-87.424.1-159-62.5-22.4000115.7H1395 L1421 L1422 N1423 Q1427 L1431H1395-N1425 PolarHBondContact CE1-OD1 2.92Å; L1421-N1425 PolarHBondContact O-ND2 3.34Å; L1421-N1425 PolarHBondContact O-OD1 3.31Å; L1422-N1425 WeakPolarHBondContact O-CB 3.38Å; L1422-N1425 PolarHBondContact O-N 3.44Å; N1423-N1425 PolarHBondContact O-N 2.9Å; N1425-Q1427 PolarHBondContact O-N 3.29Å; N1425-L1431 HydrophobicContact CB-CD2 3.7Å; N1425-L1431 HydrophobicContact CB-CG 4.13Å; N1425-L1431 VanDerWaalsContact ND2-CD2 3.26Å; N1425-L1431 WeakPolarHBondContact ND2-CD2 3.14Å
1426N43.5Very low69.2Low157 Ų15753.7 Ų53.784%0.8428%0.284SS*.SBendtrans-70.59.7167.7-101.7-43.2000113.6Y1424Y1424-N1426 VanDerWaalsContact C-N 3.27Å; Y1424-N1426 PolarHBondContact O-N 2.94Å
1427Q42.8Very low69Low111 Ų11150.5 Ų50.552%0.51926%0.264SS..SBendtrans-141.271.5-177.3-65.5-165.1-117.700113.1N1425 I1429N1425-Q1427 PolarHBondContact O-N 3.29Å; Q1427-I1429 PolarHBondContact O-N 3.37Å
1428S43.1Very low69Low65 Ų6550 Ų5046%0.45526%0.261SS..SBendtrans55.8-2.8149.576.90000121.7Q146Q146-S1428 WeakPolarHBondContact O-CB 3.12Å; Q146-S1428 PolarHBondContact O-OG 3.04Å
1429I46.5Very low69.1Low108 Ų10851.7 Ų51.755%0.55427%0.268SS*.SBendtrans-96.4135.2175-61.9177.5000109.6Q1427 L1431Q1427-I1429 PolarHBondContact O-N 3.37Å; I1429-L1431 PolarHBondContact O-N 3.42Å
1430C49.9Very low69.3Low38 Ų3849.8 Ų49.826%0.25726%0.258SS..  trans-29108.5-170.8-74.40000116.5D1432C1430-D1432 PolarHBondContact O-N 3.04Å; C1430-D1432 VanDerWaalsContact O-N 3.09Å
1431L53.4Low69.5Low48 Ų4849 Ų4925%0.25125%0.254SS..  trans-62.3105.6150.9-75.8162.8000108.2L1422 N1425 I1429 W1436 L1477L1422-L1431 HydrophobicContact CD2-CD2 3.86Å; N1425-L1431 HydrophobicContact CB-CD2 3.7Å; N1425-L1431 HydrophobicContact CB-CG 4.13Å; N1425-L1431 VanDerWaalsContact ND2-CD2 3.26Å; N1425-L1431 WeakPolarHBondContact ND2-CD2 3.14Å; I1429-L1431 PolarHBondContact O-N 3.42Å; L1431-W1436 HydrophobicContact CD1-CZ2 4.44Å; L1431-W1436 HydrophobicContact CD2-CZ2 4.35Å; L1431-L1477 HydrophobicContact CB-CD1 3.66Å; L1431-L1477 HydrophobicContact CB-CD2 3.92Å; L1431-L1477 HydrophobicContact CB-CG 4.48Å; L1431-L1477 HydrophobicContact CD1-CD2 4.44Å
1432D65.3Low70Confident45 Ų4549 Ų4924%0.24125%0.253CS..  trans-68.9126.1171.9-92.6-27.9000109.6C1430 S1434 S1435C1430-D1432 PolarHBondContact O-N 3.04Å; C1430-D1432 VanDerWaalsContact O-N 3.09Å; D1432-S1434 PolarHBondContact O-N 3.34Å; D1432-S1434 VanDerWaalsContact O-N 3.08Å; D1432-S1435 PolarHBondContact O-N 3.05Å
1433P73.6Confident70.5Confident0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-60.3-22.4179.2-21.732.5000113.1S1435 W1436 L1437 A1474 L1477 I1478 W1489P1433-S1435 VanDerWaalsContact C-N 3.27Å; P1433-S1435 PolarHBondContact O-N 3.47Å; P1433-W1436 PolarHBondContact O-N 3.15Å; P1433-L1437 WeakPolarHBondContact O-CB 3.49Å; P1433-L1437 PolarHBondContact O-N 3.08Å; P1433-A1474 HydrophobicContact CB-CB 4.13Å; P1433-L1477 HydrophobicContact CG-CB 4.09Å; P1433-I1478 HydrophobicContact CB-CD1 3.97Å; P1433-I1478 HydrophobicContact CB-CG1 4.04Å; P1433-I1478 HydrophobicContact CG-CD1 4.31Å; P1433-I1478 HydrophobicContact CG-CG1 3.84Å; P1433-W1489 HydrophobicContact CB-CH2 3.84Å; P1433-W1489 HydrophobicContact CB-CZ3 3.78Å; P1433-W1489 HydrophobicContact CG-CH2 4.39Å
1434S77.9Confident71Confident24 Ų2444.1 Ų44.117%0.16823%0.225CC..Hα-helixtrans-64.6-28.1174.754.10000113D1432 L1438D1432-S1434 PolarHBondContact O-N 3.34Å; D1432-S1434 VanDerWaalsContact O-N 3.08Å; S1434-L1438 WeakPolarHBondContact O-CB 3.26Å; S1434-L1438 PolarHBondContact O-N 2.9Å
1435S83.3Confident72Confident5 Ų541.6 Ų41.64%0.03522%0.219CC..Hα-helixtrans-74.7-39178.7-63.90000112L1421 D1432 P1433 L1438 R1439L1421-S1435 WeakPolarHBondContact CD2-OG 3.35Å; D1432-S1435 PolarHBondContact O-N 3.05Å; P1433-S1435 VanDerWaalsContact C-N 3.27Å; P1433-S1435 PolarHBondContact O-N 3.47Å; S1435-L1438 PolarHBondContact O-N 3.28Å; S1435-R1439 PolarHBondContact O-N 3.42Å
1436W86.5Confident73.7Confident35 Ų3543 Ų4313%0.13322%0.223CC..Hα-helixtrans-67.7-46.2171.6-68.997.5000111.5L1422 L1431 P1433 L1438 R1439 S1440 D1470 Q1473 A1474 L1477L1422-W1436 HydrophobicContact CD2-CD2 4.14Å; L1422-W1436 HydrophobicContact CD2-CG 4.44Å; L1422-W1436 HydrophobicContact CD2-CZ2 4.12Å; L1431-W1436 HydrophobicContact CD1-CZ2 4.44Å; L1431-W1436 HydrophobicContact CD2-CZ2 4.35Å; P1433-W1436 PolarHBondContact O-N 3.15Å; W1436-L1438 VanDerWaalsContact C-N 3.28Å; W1436-L1438 PolarHBondContact O-N 2.91Å; W1436-R1439 VanDerWaalsContact CZ3-NH2 3.28Å; W1436-R1439 PolarHBondContact O-N 3.48Å; W1436-R1439 VanDerWaalsContact O-N 3.11Å; W1436-S1440 PolarHBondContact O-N 3.47Å; W1436-D1470 HydrophobicContact CE3-CB 4.31Å; W1436-Q1473 HydrophobicContact CD2-CB 3.58Å; W1436-Q1473 HydrophobicContact CD2-CG 4.37Å; W1436-Q1473 HydrophobicContact CE3-CB 3.5Å; W1436-Q1473 HydrophobicContact CE3-CG 3.9Å; W1436-Q1473 HydrophobicContact CG-CB 4.13Å; W1436-Q1473 HydrophobicContact CH2-CB 4.14Å; W1436-Q1473 HydrophobicContact CH2-CG 3.9Å; W1436-Q1473 HydrophobicContact CZ2-CB 4.22Å; W1436-Q1473 HydrophobicContact CZ2-CG 4.38Å; W1436-Q1473 HydrophobicContact CZ3-CB 3.78Å; W1436-Q1473 HydrophobicContact CZ3-CG 3.62Å; W1436-A1474 HydrophobicContact CB-CB 4.07Å; W1436-L1477 VanDerWaalsContact CD1-CD1 3.47Å; W1436-L1477 HydrophobicContact CG-CD1 4.49Å
1437L87.3Confident75.6Confident14 Ų1436.5 Ų36.57%0.07319%0.187CC..Hα-helixtrans-55.7-44173.3-178.461.8000111.1P1433 R1439 S1440 I1441 W1489 H1491 L1492 T1495P1433-L1437 WeakPolarHBondContact O-CB 3.49Å; P1433-L1437 PolarHBondContact O-N 3.08Å; L1437-R1439 PolarHBondContact O-N 3.14Å; L1437-S1440 PolarHBondContact O-N 3.18Å; L1437-S1440 PolarHBondContact O-OG 2.77Å; L1437-I1441 HydrophobicContact CG-CD1 4.17Å; L1437-I1441 WeakPolarHBondContact O-CG1 3.26Å; L1437-I1441 PolarHBondContact O-N 2.97Å; L1437-W1489 HydrophobicContact CD2-CE3 4.01Å; L1437-W1489 HydrophobicContact CD2-CZ3 4.06Å; L1437-H1491 HydrophobicContact CD2-CB 4.4Å; L1437-L1492 HydrophobicContact CD1-CB 4.25Å; L1437-L1492 HydrophobicContact CD1-CG 4.46Å; L1437-T1495 HydrophobicContact CD1-CG2 4.12Å; L1437-T1495 WeakPolarHBondContact CD1-OG1 3.44Å
1438L87.6Confident77.5Confident8 Ų835.7 Ų35.74%0.04218%0.183CC..Hα-helixtrans-65.8-36.7177.7-172.755.1000112.3Y1399 S1402 L1403 L1406 I1418 S1434 S1435 W1436 I1441 I1442Y1399-L1438 HydrophobicContact CD2-CD2 3.86Å; Y1399-L1438 HydrophobicContact CE2-CB 4.06Å; Y1399-L1438 HydrophobicContact CE2-CD2 3.47Å; Y1399-L1438 VanDerWaalsContact CE2-CD2 3.47Å; Y1399-L1438 HydrophobicContact CE2-CG 4.4Å; S1402-L1438 WeakPolarHBondContact OG-CD2 3.34Å; L1403-L1438 HydrophobicContact CD2-CD1 3.72Å; L1403-L1438 HydrophobicContact CD2-CD2 3.69Å; L1403-L1438 HydrophobicContact CD2-CG 4.4Å; L1403-L1438 HydrophobicContact CG-CD2 3.82Å; L1406-L1438 HydrophobicContact CD1-CD1 3.58Å; L1406-L1438 HydrophobicContact CD1-CG 4.39Å; I1418-L1438 HydrophobicContact CD1-CB 4.44Å; I1418-L1438 HydrophobicContact CD1-CD2 3.98Å; I1418-L1438 HydrophobicContact CD1-CG 4.38Å; S1434-L1438 WeakPolarHBondContact O-CB 3.26Å; S1434-L1438 PolarHBondContact O-N 2.9Å; S1435-L1438 PolarHBondContact O-N 3.28Å; W1436-L1438 VanDerWaalsContact C-N 3.28Å; W1436-L1438 PolarHBondContact O-N 2.91Å; L1438-I1441 PolarHBondContact O-N 3.43Å; L1438-I1442 HydrophobicContact CG-CD1 4.19Å; L1438-I1442 WeakPolarHBondContact O-CD1 3.38Å; L1438-I1442 VanDerWaalsContact O-CG1 3.25Å; L1438-I1442 WeakPolarHBondContact O-CG1 3.5Å; L1438-I1442 PolarHBondContact O-N 3.15Å
1439R89Confident79.1Confident35 Ų3535.8 Ų35.813%0.13218%0.184CC..Hα-helixtrans-66.8-36.8172.3-164171.671.2179.81.5112.7I1418 N1419 S1435 W1436 L1437 I1441 I1442 R1443 D1470I1418-R1439 HydrophobicContact CG1-CB 4.49Å; I1418-R1439 HydrophobicContact CG2-CB 3.92Å; I1418-R1439 HydrophobicContact CG2-CG 3.79Å; N1419-R1439 VanDerWaalsContact OD1-CD 3.23Å; N1419-R1439 WeakPolarHBondContact OD1-CD 3.43Å; N1419-R1439 PolarHBondContact OD1-NH1 2.65Å; S1435-R1439 PolarHBondContact O-N 3.42Å; W1436-R1439 VanDerWaalsContact CZ3-NH2 3.28Å; W1436-R1439 PolarHBondContact O-N 3.48Å; W1436-R1439 VanDerWaalsContact O-N 3.11Å; L1437-R1439 PolarHBondContact O-N 3.14Å; R1439-I1441 VanDerWaalsContact C-N 3.3Å; R1439-I1441 PolarHBondContact O-N 3.5Å; R1439-I1442 PolarHBondContact O-N 3.21Å; R1439-R1443 WeakPolarHBondContact O-CB 3.48Å; R1439-R1443 WeakPolarHBondContact O-CG 3.42Å; R1439-R1443 PolarHBondContact O-N 2.98Å; R1439-D1470 WeakPolarHBondContact CB-OD2 3.37Å; R1439-D1470 WeakPolarHBondContact CG-OD2 3.26Å; R1439-D1470 IonicContact CZ-OD1 2.77Å; R1439-D1470 IonicContact CZ-OD2 2.7Å; R1439-D1470 IonicContact NE-OD1 3.61Å; R1439-D1470 PolarHBondContact NE-OD1 3.12Å; R1439-D1470 IonicContact NE-OD2 2.7Å; R1439-D1470 PolarHBondContact NE-OD2 3.39Å; R1439-D1470 IonicContact NH2-OD1 3.62Å; R1439-D1470 PolarHBondContact NH2-OD1 2.9Å; R1439-D1470 IonicContact NH2-OD2 3.31Å
1440S90.1Very high80.3Confident0 Ų035 Ų350%018%0.177CC..Hα-helixtrans-63.7-35.7172.278.30000112.3W1436 L1437 R1443 L1444 A1467W1436-S1440 PolarHBondContact O-N 3.47Å; L1437-S1440 PolarHBondContact O-N 3.18Å; L1437-S1440 PolarHBondContact O-OG 2.77Å; S1440-R1443 PolarHBondContact O-N 3.27Å; S1440-L1444 VanDerWaalsContact O-CB 3.32Å; S1440-L1444 WeakPolarHBondContact O-CB 3.34Å; S1440-L1444 PolarHBondContact O-N 3.33Å; S1440-A1467 WeakPolarHBondContact CB-O 3.2Å
1441I89Confident80.8Confident51 Ų5136.5 Ų36.526%0.26218%0.182SC..Hα-helixtrans-67.9-45.6174.3-69.6163.1000110.6L1437 L1438 R1439 R1443 L1444 I1445 T1495L1437-I1441 HydrophobicContact CG-CD1 4.17Å; L1437-I1441 WeakPolarHBondContact O-CG1 3.26Å; L1437-I1441 PolarHBondContact O-N 2.97Å; L1438-I1441 PolarHBondContact O-N 3.43Å; R1439-I1441 VanDerWaalsContact C-N 3.3Å; R1439-I1441 PolarHBondContact O-N 3.5Å; I1441-R1443 VanDerWaalsContact C-N 3.31Å; I1441-R1443 PolarHBondContact O-N 3.02Å; I1441-L1444 PolarHBondContact O-N 3.45Å; I1441-I1445 HydrophobicContact CG2-CD1 3.74Å; I1441-I1445 HydrophobicContact CG2-CG1 4.44Å; I1441-I1445 VanDerWaalsContact O-CG1 3.31Å; I1441-I1445 WeakPolarHBondContact O-CG1 3.2Å; I1441-I1445 PolarHBondContact O-N 2.96Å; I1441-T1495 HydrophobicContact CD1-CG2 4Å; I1441-T1495 HydrophobicContact CG1-CG2 3.56Å
1442I89.1Confident81Confident0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-56.2-46.5175.3-70.5160.1000110.2L1406 I1411 S1414 E1415 I1418 L1438 R1439 I1445 K1446L1406-I1442 HydrophobicContact CD1-CD1 4.35Å; L1406-I1442 HydrophobicContact CD1-CG1 3.8Å; L1406-I1442 HydrophobicContact CD2-CG1 4.08Å; L1406-I1442 HydrophobicContact CG-CG1 4.26Å; I1411-I1442 HydrophobicContact CG2-CG2 4.08Å; S1414-I1442 WeakPolarHBondContact OG-CD1 3.44Å; E1415-I1442 HydrophobicContact CB-CG2 3.83Å; E1415-I1442 HydrophobicContact CG-CG2 4.12Å; I1418-I1442 HydrophobicContact CB-CD1 4.16Å; I1418-I1442 HydrophobicContact CG2-CD1 3.87Å; L1438-I1442 HydrophobicContact CG-CD1 4.19Å; L1438-I1442 WeakPolarHBondContact O-CD1 3.38Å; L1438-I1442 VanDerWaalsContact O-CG1 3.25Å; L1438-I1442 WeakPolarHBondContact O-CG1 3.5Å; L1438-I1442 PolarHBondContact O-N 3.15Å; R1439-I1442 PolarHBondContact O-N 3.21Å; I1442-I1445 PolarHBondContact O-N 2.82Å; I1442-K1446 VanDerWaalsContact O-CB 3.27Å; I1442-K1446 WeakPolarHBondContact O-CB 3.37Å; I1442-K1446 PolarHBondContact O-N 2.98Å
1443R89.3Confident80.5Confident28 Ų2842 Ų4211%0.10622%0.219CC..Hα-helixtrans-65.6-40.8178-75172.3160.3170.2-13.8113R1439 S1440 I1441 K1446 Y1447 E1466 A1467 D1470R1439-R1443 WeakPolarHBondContact O-CB 3.48Å; R1439-R1443 WeakPolarHBondContact O-CG 3.42Å; R1439-R1443 PolarHBondContact O-N 2.98Å; S1440-R1443 PolarHBondContact O-N 3.27Å; I1441-R1443 VanDerWaalsContact C-N 3.31Å; I1441-R1443 PolarHBondContact O-N 3.02Å; R1443-K1446 PolarHBondContact O-N 3.2Å; R1443-Y1447 PolarHBondContact O-N 3.44Å; R1443-E1466 IonicContact CZ-OE2 2.77Å; R1443-E1466 IonicContact NE-OE2 3.5Å; R1443-E1466 PolarHBondContact NE-OE2 3.2Å; R1443-E1466 IonicContact NH1-OE2 3.52Å; R1443-E1466 IonicContact NH2-OE2 3.46Å; R1443-E1466 PolarHBondContact NH2-OE2 2.99Å; R1443-A1467 HydrophobicContact CB-CB 3.94Å; R1443-D1470 IonicContact CZ-OD2 2.7Å; R1443-D1470 IonicContact NE-OD2 2.75Å; R1443-D1470 IonicContact NH1-OD1 2.74Å; R1443-D1470 PolarHBondContact NH1-OD1 2.86Å; R1443-D1470 VanDerWaalsContact NH1-OD1 3.14Å; R1443-D1470 IonicContact NH1-OD2 3.4Å; R1443-D1470 PolarHBondContact NH1-OD2 3.45Å
1444L88Confident79.1Confident13 Ų1350.7 Ų50.77%0.06826%0.259CS..Hα-helixtrans-64.6-40175.6176.762.7000112.5S1440 I1441 Q1448 L1464 Q1498 I1499 Q1502S1440-L1444 VanDerWaalsContact O-CB 3.32Å; S1440-L1444 WeakPolarHBondContact O-CB 3.34Å; S1440-L1444 PolarHBondContact O-N 3.33Å; I1441-L1444 PolarHBondContact O-N 3.45Å; L1444-Q1448 WeakPolarHBondContact O-CG 3.41Å; L1444-Q1448 PolarHBondContact O-N 2.91Å; L1444-L1464 HydrophobicContact CD1-CD2 4.29Å; L1444-Q1498 HydrophobicContact CD1-CG 4.49Å; L1444-Q1498 HydrophobicContact CD2-CB 4.14Å; L1444-Q1498 HydrophobicContact CD2-CG 3.82Å; L1444-I1499 HydrophobicContact CB-CG1 4.47Å; L1444-I1499 HydrophobicContact CD1-CG1 3.98Å; L1444-I1499 HydrophobicContact CD2-CG1 4.24Å; L1444-I1499 HydrophobicContact CG-CG1 4.46Å; L1444-Q1502 HydrophobicContact CD1-CG 4.27Å
1445I86.3Confident77.6Confident61 Ų6157.4 Ų57.431%0.31329%0.288SS..Hα-helixtrans-68.1-41174.6-65.4166.2000110.2L1406 I1411 I1441 I1442 Y1447 Q1448 S1449L1406-I1445 HydrophobicContact CD2-CD1 4.03Å; I1411-I1445 HydrophobicContact CD1-CG2 3.79Å; I1411-I1445 HydrophobicContact CG1-CG2 4.23Å; I1441-I1445 HydrophobicContact CG2-CD1 3.74Å; I1441-I1445 HydrophobicContact CG2-CG1 4.44Å; I1441-I1445 VanDerWaalsContact O-CG1 3.31Å; I1441-I1445 WeakPolarHBondContact O-CG1 3.2Å; I1441-I1445 PolarHBondContact O-N 2.96Å; I1442-I1445 PolarHBondContact O-N 2.82Å; I1445-Y1447 VanDerWaalsContact C-N 3.32Å; I1445-Y1447 PolarHBondContact O-N 3.46Å; I1445-Q1448 CarbonylContact O-C 3.6Å; I1445-Q1448 PolarHBondContact O-N 3.16Å; I1445-Q1448 VanDerWaalsContact O-N 3.16Å; I1445-S1449 PolarHBondContact O-N 2.74Å; I1445-S1449 PolarHBondContact O-OG 2.86Å
1446K86Confident76.1Confident56 Ų5663.1 Ų63.124%0.24332%0.318CS..Hα-helixtrans-62.1-36.6177.1-170175.5-177.6176.20112.8I1411 E1415 I1442 R1443 S1449I1411-K1446 HydrophobicContact CG2-CB 4.2Å; E1415-K1446 VanDerWaalsContact CD-NZ 3.34Å; E1415-K1446 IonicContact OE1-NZ 3.49Å; E1415-K1446 PolarHBondContact OE1-NZ 2.93Å; E1415-K1446 IonicContact OE2-NZ 2.69Å; E1415-K1446 PolarHBondContact OE2-NZ 3.4Å; I1442-K1446 VanDerWaalsContact O-CB 3.27Å; I1442-K1446 WeakPolarHBondContact O-CB 3.37Å; I1442-K1446 PolarHBondContact O-N 2.98Å; R1443-K1446 PolarHBondContact O-N 3.2Å; K1446-S1449 WeakPolarHBondContact CA-OG 3.3Å; K1446-S1449 PolarHBondContact O-OG 3.11Å
1447Y84.6Confident74.7Confident22 Ų2267.7 Ų67.79%0.08635%0.345CS..Hα-helixtrans-61.7-56.9167.4176.4-90.3000110.4R1443 I1445 S1449 K1450 N1451 E1460 L1464 Q1502R1443-Y1447 PolarHBondContact O-N 3.44Å; I1445-Y1447 VanDerWaalsContact C-N 3.32Å; I1445-Y1447 PolarHBondContact O-N 3.46Å; Y1447-S1449 PolarHBondContact O-N 3.15Å; Y1447-K1450 WeakPolarHBondContact O-CB 3.07Å; Y1447-K1450 PolarHBondContact O-N 3.22Å; Y1447-N1451 WeakPolarHBondContact CD1-OD1 3.39Å; Y1447-N1451 WeakPolarHBondContact CE1-OD1 3.45Å; Y1447-N1451 PolarHBondContact O-N 2.75Å; Y1447-N1451 PolarHBondContact O-OD1 3.39Å; Y1447-N1451 PolarHBondContact OH-ND2 3.39Å; Y1447-E1460 HydrophobicContact CD2-CB 4.15Å; Y1447-E1460 HydrophobicContact CE2-CB 3.73Å; Y1447-L1464 HydrophobicContact CD1-CD1 4.49Å; Y1447-L1464 HydrophobicContact CD1-CD2 3.93Å; Y1447-L1464 HydrophobicContact CD1-CG 4.47Å; Y1447-L1464 HydrophobicContact CD2-CD1 3.93Å; Y1447-L1464 HydrophobicContact CD2-CD2 3.78Å; Y1447-L1464 HydrophobicContact CD2-CG 3.59Å; Y1447-L1464 HydrophobicContact CE1-CD1 4.1Å; Y1447-L1464 HydrophobicContact CE1-CD2 4.34Å; Y1447-L1464 HydrophobicContact CE2-CD1 3.47Å; Y1447-L1464 VanDerWaalsContact CE2-CD1 3.47Å; Y1447-L1464 HydrophobicContact CE2-CD2 4.19Å; Y1447-L1464 HydrophobicContact CE2-CG 3.68Å; Y1447-L1464 HydrophobicContact CG-CD1 4.43Å; Y1447-L1464 HydrophobicContact CG-CD2 3.66Å; Y1447-L1464 HydrophobicContact CG-CG 4.03Å; Y1447-Q1502 HydrophobicContact CD1-CG 4.34Å; Y1447-Q1502 HydrophobicContact CE1-CB 3.93Å; Y1447-Q1502 HydrophobicContact CE1-CG 3.91Å
1448Q81.1Confident73.5Confident93 Ų9373.8 Ų73.844%0.43538%0.378SS..Hα-helixtrans-57.4-23.1-179.5-71.6171-1.200114.7L1444 I1445L1444-Q1448 WeakPolarHBondContact O-CG 3.41Å; L1444-Q1448 PolarHBondContact O-N 2.91Å; I1445-Q1448 CarbonylContact O-C 3.6Å; I1445-Q1448 PolarHBondContact O-N 3.16Å; I1445-Q1448 VanDerWaalsContact O-N 3.16Å
1449S77.6Confident72.3Confident67 Ų6779 Ų7947%0.46941%0.406SS..THydrogen-bonded Turntrans-85.3-8.2172.757.30000115.7I1445 K1446 Y1447I1445-S1449 PolarHBondContact O-N 2.74Å; I1445-S1449 PolarHBondContact O-OG 2.86Å; K1446-S1449 WeakPolarHBondContact CA-OG 3.3Å; K1446-S1449 PolarHBondContact O-OG 3.11Å; Y1447-S1449 PolarHBondContact O-N 3.15Å
1450K72.2Confident71.1Confident91 Ų9178.6 Ų78.640%0.39641%0.405SS..THydrogen-bonded Turntrans-94.2-38.3174.6-80.6-175.1155.1-152.60112.8Y1447 S1452 D1453 E1460 L1463Y1447-K1450 WeakPolarHBondContact O-CB 3.07Å; Y1447-K1450 PolarHBondContact O-N 3.22Å; K1450-S1452 PolarHBondContact O-N 3.09Å; K1450-D1453 PolarHBondContact O-N 2.93Å; K1450-E1460 WeakPolarHBondContact CB-OE1 3.26Å; K1450-L1463 HydrophobicContact CD-CD1 4.08Å
1451N60Low70.3Confident70 Ų7081.4 Ų81.437%0.37442%0.42SS..THydrogen-bonded Turntrans-61.56.9-175.6-67.993.3000116.3Y1447 E1460Y1447-N1451 WeakPolarHBondContact CD1-OD1 3.39Å; Y1447-N1451 WeakPolarHBondContact CE1-OD1 3.45Å; Y1447-N1451 PolarHBondContact O-N 2.75Å; Y1447-N1451 PolarHBondContact O-OD1 3.39Å; Y1447-N1451 PolarHBondContact OH-ND2 3.39Å; N1451-E1460 PolarHBondContact ND2-OE2 2.88Å
1452S57.6Low69.9Low88 Ų8883.5 Ų83.562%0.61543%0.429SS*.THydrogen-bonded Turntrans-76.1-24.9164.656.40000113.1K1450K1450-S1452 PolarHBondContact O-N 3.09Å
1453D54.6Low69.7Low122 Ų12284.8 Ų84.865%0.65244%0.435SS*.SBendtrans-117.4103.6-165-64.417.4000109.8K1450 H1455K1450-D1453 PolarHBondContact O-N 2.93Å; D1453-H1455 PolarHBondContact O-N 2.7Å
1454H43.8Very low69.5Low182 Ų18283.4 Ų83.484%0.84343%0.43SS*.  trans-67.587.5-172.5-70.7-63.5000114.7
1455H46.1Very low69.4Low165 Ų16587.1 Ų87.176%0.76445%0.446SS*.  trans-150.5137.4160-85.4-68.1000113.5D1453D1453-H1455 PolarHBondContact O-N 2.7Å
1456D53.3Low69.6Low124 Ų12487.6 Ų87.666%0.66345%0.447SS*.  trans57.588.8163.8-53.7-12.3000118.4D1458D1456-D1458 VanDerWaalsContact C-N 3.3Å; D1456-D1458 PolarHBondContact O-N 3.44Å; D1456-D1458 VanDerWaalsContact O-N 3.17Å
1457D57.3Low69.7Low132 Ų13285 Ų8571%0.70644%0.435SS*.Hα-helixtrans-52.6-34.3-178.9-72.3-68000115.3D1459 D1461D1457-D1459 PolarHBondContact O-N 3.01Å; D1457-D1461 PolarHBondContact O-N 3.49Å
1458D61.8Low69.9Low142 Ų14285.2 Ų85.276%0.75944%0.438SS*.Hα-helixtrans-66.4-38.1-169.5-80.5-41000113.7D1456 Q1462D1456-D1458 VanDerWaalsContact C-N 3.3Å; D1456-D1458 PolarHBondContact O-N 3.44Å; D1456-D1458 VanDerWaalsContact O-N 3.17Å; D1458-Q1462 PolarHBondContact O-N 2.87Å
1459D62.1Low70.4Confident118 Ų11885.1 Ų85.163%0.63144%0.44SS*.Hα-helixtrans-80.5-29.5-173.3-125.229000111.7D1457D1457-D1459 PolarHBondContact O-N 3.01Å
1460E63.5Low70.9Confident25 Ų2582 Ų8212%0.11742%0.418CS..Hα-helixtrans-70-41.5173.8-59.7-152.4131.700111.7Y1447 K1450 N1451 Q1462 L1463Y1447-E1460 HydrophobicContact CD2-CB 4.15Å; Y1447-E1460 HydrophobicContact CE2-CB 3.73Å; K1450-E1460 WeakPolarHBondContact CB-OE1 3.26Å; N1451-E1460 PolarHBondContact ND2-OE2 2.88Å; E1460-Q1462 PolarHBondContact O-N 3.12Å; E1460-L1463 PolarHBondContact O-N 3.48Å; E1460-L1463 VanDerWaalsContact O-N 3.13Å
1461D72.7Confident71.6Confident59 Ų5977.6 Ų77.632%0.31640%0.399SS..Hα-helixtrans-63.4-26.6179.8-151.351.3000111.5D1457 K1465 L1503D1457-D1461 PolarHBondContact O-N 3.49Å; D1461-K1465 VanDerWaalsContact O-CD 3.32Å; D1461-K1465 WeakPolarHBondContact O-CD 3.38Å; D1461-K1465 WeakPolarHBondContact O-CE 3.41Å; D1461-K1465 VanDerWaalsContact O-CG 3.25Å; D1461-K1465 WeakPolarHBondContact O-CG 3.35Å; D1461-K1465 PolarHBondContact O-N 2.86Å; D1461-K1465 WeakPolarHBondContact OD2-CE 3.35Å; D1461-K1465 IonicContact OD2-NZ 3.2Å; D1461-K1465 PolarHBondContact OD2-NZ 2.85Å; D1461-L1503 WeakPolarHBondContact OD1-CD2 3.45Å
1462Q81.6Confident72.8Confident96 Ų9678.1 Ų78.145%0.44940%0.399SS..Hα-helixtrans-68.7-38174-174.463.24.800113.4D1458 E1460 L1464 K1465 E1466D1458-Q1462 PolarHBondContact O-N 2.87Å; E1460-Q1462 PolarHBondContact O-N 3.12Å; Q1462-L1464 VanDerWaalsContact C-N 3.3Å; Q1462-L1464 PolarHBondContact O-N 3.44Å; Q1462-K1465 PolarHBondContact O-N 3.25Å; Q1462-E1466 PolarHBondContact O-N 3Å
1463L84Confident74.1Confident26 Ų2676.5 Ų76.514%0.13638%0.382CS..Hα-helixtrans-64.4-35.5176.3-76.8167.1000112.1K1450 E1460 E1466 A1467K1450-L1463 HydrophobicContact CD-CD1 4.08Å; E1460-L1463 PolarHBondContact O-N 3.48Å; E1460-L1463 VanDerWaalsContact O-N 3.13Å; L1463-E1466 PolarHBondContact O-N 3.13Å; L1463-A1467 PolarHBondContact O-N 3.18Å
1464L85.7Confident75.4Confident0 Ų070.7 Ų70.70%035%0.351CS..Hα-helixtrans-71-38.2175.2-64.8-179.3000112.2L1444 Y1447 Q1462 E1466 A1467 L1468 I1499 Q1502 L1503L1444-L1464 HydrophobicContact CD1-CD2 4.29Å; Y1447-L1464 HydrophobicContact CD1-CD1 4.49Å; Y1447-L1464 HydrophobicContact CD1-CD2 3.93Å; Y1447-L1464 HydrophobicContact CD1-CG 4.47Å; Y1447-L1464 HydrophobicContact CD2-CD1 3.93Å; Y1447-L1464 HydrophobicContact CD2-CD2 3.78Å; Y1447-L1464 HydrophobicContact CD2-CG 3.59Å; Y1447-L1464 HydrophobicContact CE1-CD1 4.1Å; Y1447-L1464 HydrophobicContact CE1-CD2 4.34Å; Y1447-L1464 HydrophobicContact CE2-CD1 3.47Å; Y1447-L1464 VanDerWaalsContact CE2-CD1 3.47Å; Y1447-L1464 HydrophobicContact CE2-CD2 4.19Å; Y1447-L1464 HydrophobicContact CE2-CG 3.68Å; Y1447-L1464 HydrophobicContact CG-CD1 4.43Å; Y1447-L1464 HydrophobicContact CG-CD2 3.66Å; Y1447-L1464 HydrophobicContact CG-CG 4.03Å; Q1462-L1464 VanDerWaalsContact C-N 3.3Å; Q1462-L1464 PolarHBondContact O-N 3.44Å; L1464-E1466 VanDerWaalsContact C-N 3.33Å; L1464-E1466 PolarHBondContact O-N 2.88Å; L1464-A1467 PolarHBondContact O-N 2.92Å; L1464-L1468 PolarHBondContact O-N 3.39Å; L1464-I1499 HydrophobicContact CB-CG2 4.14Å; L1464-I1499 HydrophobicContact CD2-CG2 4.21Å; L1464-Q1502 HydrophobicContact CD1-CB 3.64Å; L1464-Q1502 HydrophobicContact CD2-CB 4.37Å; L1464-L1503 HydrophobicContact CB-CD1 4.41Å; L1464-L1503 HydrophobicContact CB-CD2 3.76Å; L1464-L1503 HydrophobicContact CB-CG 4.09Å; L1464-L1503 HydrophobicContact CD1-CD2 3.71Å; L1464-L1503 HydrophobicContact CD1-CG 3.92Å; L1464-L1503 HydrophobicContact CG-CD2 4.42Å
1465K86.6Confident77.1Confident91 Ų9163.4 Ų63.440%0.39632%0.317SS..Hα-helixtrans-61.9-40172.7-68.4158.9-159.5155.20111.5D1461 Q1462 L1468 N1469D1461-K1465 VanDerWaalsContact O-CD 3.32Å; D1461-K1465 WeakPolarHBondContact O-CD 3.38Å; D1461-K1465 WeakPolarHBondContact O-CE 3.41Å; D1461-K1465 VanDerWaalsContact O-CG 3.25Å; D1461-K1465 WeakPolarHBondContact O-CG 3.35Å; D1461-K1465 PolarHBondContact O-N 2.86Å; D1461-K1465 WeakPolarHBondContact OD2-CE 3.35Å; D1461-K1465 IonicContact OD2-NZ 3.2Å; D1461-K1465 PolarHBondContact OD2-NZ 2.85Å; Q1462-K1465 PolarHBondContact O-N 3.25Å; K1465-L1468 PolarHBondContact O-N 3.14Å; K1465-N1469 PolarHBondContact O-N 3.48Å
1466E88.7Confident78.6Confident71 Ų7161 Ų6133%0.33231%0.306SS..Hα-helixtrans-66.2-37.7172.7-71.3-165.9169.600113.2R1443 Q1462 L1463 L1464 N1469 D1470R1443-E1466 IonicContact CZ-OE2 2.77Å; R1443-E1466 IonicContact NE-OE2 3.5Å; R1443-E1466 PolarHBondContact NE-OE2 3.2Å; R1443-E1466 IonicContact NH1-OE2 3.52Å; R1443-E1466 IonicContact NH2-OE2 3.46Å; R1443-E1466 PolarHBondContact NH2-OE2 2.99Å; Q1462-E1466 PolarHBondContact O-N 3Å; L1463-E1466 PolarHBondContact O-N 3.13Å; L1464-E1466 VanDerWaalsContact C-N 3.33Å; L1464-E1466 PolarHBondContact O-N 2.88Å; E1466-N1469 PolarHBondContact O-N 2.81Å; E1466-D1470 PolarHBondContact O-N 3.3Å
1467A89.4Confident79.5Confident0 Ų056.4 Ų56.40%028%0.282CS..Hα-helixtrans-66.4-37.8175.700000112.4S1440 R1443 L1463 L1464 D1470 I1471 I1499S1440-A1467 WeakPolarHBondContact CB-O 3.2Å; R1443-A1467 HydrophobicContact CB-CB 3.94Å; L1463-A1467 PolarHBondContact O-N 3.18Å; L1464-A1467 PolarHBondContact O-N 2.92Å; A1467-D1470 PolarHBondContact O-N 3.26Å; A1467-I1471 PolarHBondContact O-N 2.82Å; A1467-I1471 VanDerWaalsContact O-N 3.17Å; A1467-I1499 HydrophobicContact CB-CD1 3.67Å; A1467-I1499 HydrophobicContact CB-CG1 4.31Å
1468L88.9Confident80Confident27 Ų2750.8 Ų50.814%0.14125%0.251CS..Hα-helixtrans-63.7-40.9170.5-76.6179.7000112.2L1464 K1465 D1470 I1471 H1472 K1496 I1499 L1500 L1503L1464-L1468 PolarHBondContact O-N 3.39Å; K1465-L1468 PolarHBondContact O-N 3.14Å; L1468-D1470 VanDerWaalsContact C-N 3.32Å; L1468-D1470 PolarHBondContact O-N 2.98Å; L1468-I1471 PolarHBondContact O-N 3.14Å; L1468-I1471 VanDerWaalsContact O-N 3.14Å; L1468-H1472 PolarHBondContact O-CD2 2.77Å; L1468-H1472 PolarHBondContact O-N 3.45Å; L1468-K1496 HydrophobicContact CD2-CG 4.38Å; L1468-I1499 HydrophobicContact CD1-CG2 4.39Å; L1468-I1499 HydrophobicContact CD2-CB 4.26Å; L1468-I1499 HydrophobicContact CD2-CG2 3.85Å; L1468-I1499 HydrophobicContact CG-CG2 3.7Å; L1468-L1500 HydrophobicContact CD1-CD2 4.49Å; L1468-L1500 HydrophobicContact CD2-CD2 4.48Å; L1468-L1503 HydrophobicContact CD1-CD1 3.53Å; L1468-L1503 HydrophobicContact CG-CD1 4.34Å
1469N90.2Very high79.8Confident91 Ų9148.6 Ų48.649%0.48724%0.239SC..Hα-helixtrans-61.9-40177.1-168.914.2000111.6K1465 E1466 I1471 H1472 Q1473K1465-N1469 PolarHBondContact O-N 3.48Å; E1466-N1469 PolarHBondContact O-N 2.81Å; N1469-I1471 VanDerWaalsContact C-N 3.34Å; N1469-I1471 PolarHBondContact O-N 3.33Å; N1469-H1472 PolarHBondContact O-N 3.25Å; N1469-Q1473 WeakPolarHBondContact O-CG 3.37Å; N1469-Q1473 PolarHBondContact O-N 3.02Å
1470D88.4Confident79.4Confident1 Ų146.3 Ų46.31%0.00523%0.231CC..Hα-helixtrans-61.7-39.7172.7-77.4-12.3000112.6W1436 R1439 R1443 E1466 A1467 L1468 Q1473 A1474W1436-D1470 HydrophobicContact CE3-CB 4.31Å; R1439-D1470 WeakPolarHBondContact CB-OD2 3.37Å; R1439-D1470 WeakPolarHBondContact CG-OD2 3.26Å; R1439-D1470 IonicContact CZ-OD1 2.77Å; R1439-D1470 IonicContact CZ-OD2 2.7Å; R1439-D1470 IonicContact NE-OD1 3.61Å; R1439-D1470 PolarHBondContact NE-OD1 3.12Å; R1439-D1470 IonicContact NE-OD2 2.7Å; R1439-D1470 PolarHBondContact NE-OD2 3.39Å; R1439-D1470 IonicContact NH2-OD1 3.62Å; R1439-D1470 PolarHBondContact NH2-OD1 2.9Å; R1439-D1470 IonicContact NH2-OD2 3.31Å; R1443-D1470 IonicContact CZ-OD2 2.7Å; R1443-D1470 IonicContact NE-OD2 2.75Å; R1443-D1470 IonicContact NH1-OD1 2.74Å; R1443-D1470 PolarHBondContact NH1-OD1 2.86Å; R1443-D1470 VanDerWaalsContact NH1-OD1 3.14Å; R1443-D1470 IonicContact NH1-OD2 3.4Å; R1443-D1470 PolarHBondContact NH1-OD2 3.45Å; E1466-D1470 PolarHBondContact O-N 3.3Å; A1467-D1470 PolarHBondContact O-N 3.26Å; L1468-D1470 VanDerWaalsContact C-N 3.32Å; L1468-D1470 PolarHBondContact O-N 2.98Å; D1470-Q1473 PolarHBondContact O-N 3.33Å; D1470-A1474 PolarHBondContact O-N 2.99Å
1471I87.5Confident78.8Confident0 Ų046.5 Ų46.50%023%0.231CC..Hα-helixtrans-65.2-41.1173.4-68.6-179.6000110.8A1467 L1468 N1469 Q1473 A1474 E1475 L1492 K1496 I1499A1467-I1471 PolarHBondContact O-N 2.82Å; A1467-I1471 VanDerWaalsContact O-N 3.17Å; L1468-I1471 PolarHBondContact O-N 3.14Å; L1468-I1471 VanDerWaalsContact O-N 3.14Å; N1469-I1471 VanDerWaalsContact C-N 3.34Å; N1469-I1471 PolarHBondContact O-N 3.33Å; I1471-Q1473 VanDerWaalsContact C-N 3.3Å; I1471-Q1473 PolarHBondContact O-N 2.83Å; I1471-A1474 CarbonylContact O-C 3.34Å; I1471-A1474 WeakPolarHBondContact O-CA 3.46Å; I1471-A1474 WeakPolarHBondContact O-CB 3.43Å; I1471-A1474 PolarHBondContact O-N 2.82Å; I1471-A1474 VanDerWaalsContact O-N 3.1Å; I1471-E1475 HydrophobicContact CG2-CG 4.34Å; I1471-E1475 WeakPolarHBondContact O-CG 3.5Å; I1471-E1475 PolarHBondContact O-N 3.43Å; I1471-L1492 HydrophobicContact CG2-CD2 3.97Å; I1471-L1492 HydrophobicContact CG2-CG 4.2Å; I1471-K1496 HydrophobicContact CD1-CB 3.93Å; I1471-K1496 HydrophobicContact CG2-CB 4.26Å; I1471-K1496 HydrophobicContact CG2-CD 4.05Å; I1471-K1496 HydrophobicContact CG2-CG 4.22Å; I1471-I1499 HydrophobicContact CD1-CD1 3.62Å
1472H85.9Confident77.8Confident80 Ų8046.9 Ų46.937%0.3723%0.233SC..Hα-helixtrans-64.4-31.8174.3-69.8-43.3000113L1468 N1469 E1475 Q1476L1468-H1472 PolarHBondContact O-CD2 2.77Å; L1468-H1472 PolarHBondContact O-N 3.45Å; N1469-H1472 PolarHBondContact O-N 3.25Å; H1472-E1475 IonicContact CE1-OE2 2.65Å; H1472-E1475 IonicContact CG-OE2 3.46Å; H1472-E1475 IonicContact ND1-OE2 3.58Å; H1472-E1475 PolarHBondContact ND1-OE2 3.2Å; H1472-E1475 PolarHBondContact O-N 2.84Å; H1472-Q1476 WeakPolarHBondContact O-CB 3.44Å; H1472-Q1476 VanDerWaalsContact O-CG 3.28Å; H1472-Q1476 WeakPolarHBondContact O-CG 3.22Å; H1472-Q1476 PolarHBondContact O-N 3.49Å
1473Q84.1Confident76Confident54 Ų5449.7 Ų49.725%0.25225%0.251SS..Hα-helixtrans-67.9-38.9170.1-68.6-60.9-52.700111.7W1436 N1469 D1470 I1471 L1477W1436-Q1473 HydrophobicContact CD2-CB 3.58Å; W1436-Q1473 HydrophobicContact CD2-CG 4.37Å; W1436-Q1473 HydrophobicContact CE3-CB 3.5Å; W1436-Q1473 HydrophobicContact CE3-CG 3.9Å; W1436-Q1473 HydrophobicContact CG-CB 4.13Å; W1436-Q1473 HydrophobicContact CH2-CB 4.14Å; W1436-Q1473 HydrophobicContact CH2-CG 3.9Å; W1436-Q1473 HydrophobicContact CZ2-CB 4.22Å; W1436-Q1473 HydrophobicContact CZ2-CG 4.38Å; W1436-Q1473 HydrophobicContact CZ3-CB 3.78Å; W1436-Q1473 HydrophobicContact CZ3-CG 3.62Å; N1469-Q1473 WeakPolarHBondContact O-CG 3.37Å; N1469-Q1473 PolarHBondContact O-N 3.02Å; D1470-Q1473 PolarHBondContact O-N 3.33Å; I1471-Q1473 VanDerWaalsContact C-N 3.3Å; I1471-Q1473 PolarHBondContact O-N 2.83Å; Q1473-L1477 WeakPolarHBondContact O-CB 3.42Å; Q1473-L1477 WeakPolarHBondContact O-CD1 3.17Å; Q1473-L1477 VanDerWaalsContact O-CG 3.26Å; Q1473-L1477 WeakPolarHBondContact O-CG 3.31Å; Q1473-L1477 PolarHBondContact O-N 3.3Å
1474A81.5Confident74.2Confident0 Ų055.3 Ų55.30%028%0.281CS..Hα-helixtrans-62.7-44.2171.100000112P1433 W1436 D1470 I1471 L1477 I1478 L1492P1433-A1474 HydrophobicContact CB-CB 4.13Å; W1436-A1474 HydrophobicContact CB-CB 4.07Å; D1470-A1474 PolarHBondContact O-N 2.99Å; I1471-A1474 CarbonylContact O-C 3.34Å; I1471-A1474 WeakPolarHBondContact O-CA 3.46Å; I1471-A1474 WeakPolarHBondContact O-CB 3.43Å; I1471-A1474 PolarHBondContact O-N 2.82Å; I1471-A1474 VanDerWaalsContact O-N 3.1Å; A1474-L1477 WeakPolarHBondContact O-CB 3.25Å; A1474-L1477 PolarHBondContact O-N 3.33Å; A1474-I1478 WeakPolarHBondContact O-CD1 3.39Å; A1474-I1478 WeakPolarHBondContact O-CG1 3.44Å; A1474-I1478 PolarHBondContact O-N 3.33Å; A1474-L1492 HydrophobicContact CB-CD1 3.97Å
1475E81.1Confident72.3Confident29 Ų2960.9 Ų60.914%0.13631%0.307CS..Hα-helixtrans-63.2-46.1175.7-71.317615600112I1471 H1472 L1477 I1478 L1479 L1492 K1496I1471-E1475 HydrophobicContact CG2-CG 4.34Å; I1471-E1475 WeakPolarHBondContact O-CG 3.5Å; I1471-E1475 PolarHBondContact O-N 3.43Å; H1472-E1475 IonicContact CE1-OE2 2.65Å; H1472-E1475 IonicContact CG-OE2 3.46Å; H1472-E1475 IonicContact ND1-OE2 3.58Å; H1472-E1475 PolarHBondContact ND1-OE2 3.2Å; H1472-E1475 PolarHBondContact O-N 2.84Å; E1475-L1477 VanDerWaalsContact C-N 3.25Å; E1475-L1477 PolarHBondContact O-N 3.12Å; E1475-I1478 CarbonylContact O-C 3.46Å; E1475-I1478 WeakPolarHBondContact O-CA 3.34Å; E1475-I1478 PolarHBondContact O-N 3.35Å; E1475-L1479 WeakPolarHBondContact O-CG 3.24Å; E1475-L1479 PolarHBondContact O-N 3.1Å; E1475-L1492 HydrophobicContact CG-CD1 4.5Å; E1475-L1492 HydrophobicContact CG-CD2 4.13Å; E1475-K1496 WeakPolarHBondContact OE1-CE 3.12Å; E1475-K1496 IonicContact OE1-NZ 3.98Å; E1475-K1496 PolarHBondContact OE1-NZ 3.37Å
1476Q77.6Confident70.3Confident114 Ų11460 Ų6053%0.53331%0.306SS..Hα-helixtrans-62.1-32.6175.7-78.4-178.913.900112.5H1472 P1480H1472-Q1476 WeakPolarHBondContact O-CB 3.44Å; H1472-Q1476 VanDerWaalsContact O-CG 3.28Å; H1472-Q1476 WeakPolarHBondContact O-CG 3.22Å; H1472-Q1476 PolarHBondContact O-N 3.49Å; Q1476-P1480 WeakPolarHBondContact O-CD 3.42Å
1477L71.4Confident68.6Low28 Ų2859.9 Ų59.915%0.14731%0.31CS..Hα-helixtrans-68.4-40.3169.7-72.3163.6000110.7L1431 P1433 W1436 Q1473 A1474 E1475 K1481L1431-L1477 HydrophobicContact CB-CD1 3.66Å; L1431-L1477 HydrophobicContact CB-CD2 3.92Å; L1431-L1477 HydrophobicContact CB-CG 4.48Å; L1431-L1477 HydrophobicContact CD1-CD2 4.44Å; P1433-L1477 HydrophobicContact CG-CB 4.09Å; W1436-L1477 VanDerWaalsContact CD1-CD1 3.47Å; W1436-L1477 HydrophobicContact CG-CD1 4.49Å; Q1473-L1477 WeakPolarHBondContact O-CB 3.42Å; Q1473-L1477 WeakPolarHBondContact O-CD1 3.17Å; Q1473-L1477 VanDerWaalsContact O-CG 3.26Å; Q1473-L1477 WeakPolarHBondContact O-CG 3.31Å; Q1473-L1477 PolarHBondContact O-N 3.3Å; A1474-L1477 WeakPolarHBondContact O-CB 3.25Å; A1474-L1477 PolarHBondContact O-N 3.33Å; E1475-L1477 VanDerWaalsContact C-N 3.25Å; E1475-L1477 PolarHBondContact O-N 3.12Å; L1477-K1481 WeakPolarHBondContact O-CD 3.41Å; L1477-K1481 WeakPolarHBondContact O-CE 3.38Å; L1477-K1481 WeakPolarHBondContact O-CG 3.26Å
1478I68.2Low67.2Low14 Ų1463.3 Ų63.37%0.07233%0.334CS..Hα-helixtrans-75.1-34.8-177.2-65.9163000113.5P1433 A1474 E1475 K1481 L1482 L1486 W1489 L1492P1433-I1478 HydrophobicContact CB-CD1 3.97Å; P1433-I1478 HydrophobicContact CB-CG1 4.04Å; P1433-I1478 HydrophobicContact CG-CD1 4.31Å; P1433-I1478 HydrophobicContact CG-CG1 3.84Å; A1474-I1478 WeakPolarHBondContact O-CD1 3.39Å; A1474-I1478 WeakPolarHBondContact O-CG1 3.44Å; A1474-I1478 PolarHBondContact O-N 3.33Å; E1475-I1478 CarbonylContact O-C 3.46Å; E1475-I1478 WeakPolarHBondContact O-CA 3.34Å; E1475-I1478 PolarHBondContact O-N 3.35Å; I1478-K1481 VanDerWaalsContact O-CB 3.25Å; I1478-K1481 WeakPolarHBondContact O-CB 3.23Å; I1478-K1481 PolarHBondContact O-N 3.1Å; I1478-L1482 HydrophobicContact CG2-CD1 4.32Å; I1478-L1486 HydrophobicContact CG2-CD1 3.81Å; I1478-L1486 HydrophobicContact CG2-CG 4.36Å; I1478-W1489 HydrophobicContact CD1-CD2 4.45Å; I1478-W1489 HydrophobicContact CD1-CE3 4.36Å; I1478-L1492 HydrophobicContact CD1-CD1 3.79Å
1479L56.8Low66.5Low97 Ų9765.8 Ų65.851%0.50834%0.341SS..G310 helixtrans-54.2-46.6-175.4-84.7156.5000114.5E1475 K1481 L1486E1475-L1479 WeakPolarHBondContact O-CG 3.24Å; E1475-L1479 PolarHBondContact O-N 3.1Å; L1479-K1481 PolarHBondContact O-N 3.27Å; L1479-L1486 HydrophobicContact CB-CD1 4.36Å; L1479-L1486 HydrophobicContact CD2-CD1 3.69Å; L1479-L1486 HydrophobicContact CD2-CD2 3.81Å; L1479-L1486 HydrophobicContact CD2-CG 4.43Å; L1479-L1486 HydrophobicContact CG-CD1 3.81Å; L1479-L1486 HydrophobicContact CG-CD2 4.16Å
1480P53.8Low66.1Low69 Ų6962.2 Ų62.245%0.44832%0.323SS..G310 helixtrans-80.35.4178.4-13.831.5000114.3Y149 Q1476Y149-P1480 HydrophobicContact CE1-CB 3.82Å; Y149-P1480 HydrophobicContact CE1-CG 4.1Å; Q1476-P1480 WeakPolarHBondContact O-CD 3.42Å
1481K51.9Low65.9Low30 Ų3067.4 Ų67.413%0.1335%0.347CS..G310 helixtrans-102.1-25.7-171.7-65.7178.4177.6179.60113.5Y149 P150 L1477 I1478 L1479Y149-K1481 HydrophobicContact CD1-CD 4.33Å; Y149-K1481 HydrophobicContact CD1-CG 3.7Å; Y149-K1481 HydrophobicContact CE1-CG 4.17Å; P150-K1481 HydrophobicContact CB-CD 3.39Å; P150-K1481 VanDerWaalsContact CB-CE 3.43Å; P150-K1481 HydrophobicContact CB-CG 3.97Å; P150-K1481 HydrophobicContact CG-CB 3.82Å; P150-K1481 HydrophobicContact CG-CD 3.48Å; P150-K1481 VanDerWaalsContact CG-CD 3.48Å; P150-K1481 HydrophobicContact CG-CG 3.52Å; L1477-K1481 WeakPolarHBondContact O-CD 3.41Å; L1477-K1481 WeakPolarHBondContact O-CE 3.38Å; L1477-K1481 WeakPolarHBondContact O-CG 3.26Å; I1478-K1481 VanDerWaalsContact O-CB 3.25Å; I1478-K1481 WeakPolarHBondContact O-CB 3.23Å; I1478-K1481 PolarHBondContact O-N 3.1Å; L1479-K1481 PolarHBondContact O-N 3.27Å
1482L50.2Low65.9Low66 Ų6667.8 Ų67.835%0.34635%0.349SS..  trans-143.190.4-168.4-70.3166.7000109.7I1478 D1484 H1485I1478-L1482 HydrophobicContact CG2-CD1 4.32Å; L1482-D1484 PolarHBondContact O-N 3.21Å; L1482-D1484 VanDerWaalsContact O-N 3.09Å; L1482-H1485 WeakPolarHBondContact CB-O 3.43Å; L1482-H1485 WeakPolarHBondContact CD1-O 3.43Å
1483N43.3Very low65.9Low155 Ų15564.7 Ų64.783%0.82934%0.335SS*.SBendtrans-60.2-22.1-170.8-9823.8000115.6
1484D46.3Very low66.2Low145 Ų14564.9 Ų64.978%0.77533%0.333SS*.SBendtrans-126-10.5-175.2-61.6-81000114.1L1482L1482-D1484 PolarHBondContact O-N 3.21Å; L1482-D1484 VanDerWaalsContact O-N 3.09Å
1485H47.3Very low66.6Low117 Ų11765.2 Ų65.254%0.54234%0.335SS..  trans-138.278.6-168.4-64.6-20.8000112.4L1482 T1487L1482-H1485 WeakPolarHBondContact CB-O 3.43Å; L1482-H1485 WeakPolarHBondContact CD1-O 3.43Å; H1485-T1487 PolarHBondContact O-N 3.46Å; H1485-T1487 VanDerWaalsContact O-N 3.14Å
1486L43.1Very low67Low71 Ų7165.2 Ų65.237%0.37234%0.335SS..  trans-75.310.2171-146.678000113.6I1478 L1479I1478-L1486 HydrophobicContact CG2-CD1 3.81Å; I1478-L1486 HydrophobicContact CG2-CG 4.36Å; L1479-L1486 HydrophobicContact CB-CD1 4.36Å; L1479-L1486 HydrophobicContact CD2-CD1 3.69Å; L1479-L1486 HydrophobicContact CD2-CD2 3.81Å; L1479-L1486 HydrophobicContact CD2-CG 4.43Å; L1479-L1486 HydrophobicContact CG-CD1 3.81Å; L1479-L1486 HydrophobicContact CG-CD2 4.16Å
1487T53Low67.7Low69 Ų6959.8 Ų59.842%0.42331%0.31SS..  trans-126.360.7-160.156.10000110.4H1485 L1519H1485-T1487 PolarHBondContact O-N 3.46Å; H1485-T1487 VanDerWaalsContact O-N 3.14Å; T1487-L1519 VanDerWaalsContact C-CD1 3.45Å; T1487-L1519 WeakPolarHBondContact O-CD1 3.5Å; T1487-L1519 WeakPolarHBondContact O-CD2 3.22Å
1488C61.5Low68.6Low73 Ų7359.8 Ų59.849%0.49331%0.309SS..  trans-129.3-3.7179.6-68.10000113.9P1490C1488-P1490 VanDerWaalsContact C-CD 3.46Å; C1488-P1490 WeakPolarHBondContact O-CD 3.49Å
1489W74.3Confident69.7Low79 Ų7959.1 Ų59.130%0.29931%0.305SS..  trans-117.379.8-175.7-82.433.6000110.5P1433 L1437 I1478 H1491 L1492 H1493P1433-W1489 HydrophobicContact CB-CH2 3.84Å; P1433-W1489 HydrophobicContact CB-CZ3 3.78Å; P1433-W1489 HydrophobicContact CG-CH2 4.39Å; L1437-W1489 HydrophobicContact CD2-CE3 4.01Å; L1437-W1489 HydrophobicContact CD2-CZ3 4.06Å; I1478-W1489 HydrophobicContact CD1-CD2 4.45Å; I1478-W1489 HydrophobicContact CD1-CE3 4.36Å; W1489-H1491 PolarHBondContact O-N 2.99Å; W1489-H1491 VanDerWaalsContact O-N 3.13Å; W1489-L1492 HydrophobicContact CB-CB 4.01Å; W1489-L1492 WeakPolarHBondContact O-CB 3.21Å; W1489-L1492 PolarHBondContact O-N 2.94Å; W1489-H1493 PolarHBondContact O-N 3.21Å
1490P81.8Confident71.3Confident15 Ų1554.9 Ų54.910%0.09728%0.283CS..Hα-helixtrans-54.6-34.2-179.1-2.2-4.1000113.3C1488 L1492 H1493 Y1494 L1519 L1520 F1526C1488-P1490 VanDerWaalsContact C-CD 3.46Å; C1488-P1490 WeakPolarHBondContact O-CD 3.49Å; P1490-L1492 VanDerWaalsContact C-N 3.32Å; P1490-L1492 PolarHBondContact O-N 3.02Å; P1490-H1493 PolarHBondContact O-N 3.14Å; P1490-Y1494 VanDerWaalsContact O-CB 3.23Å; P1490-Y1494 WeakPolarHBondContact O-CB 3.36Å; P1490-Y1494 PolarHBondContact O-N 2.87Å; P1490-L1519 HydrophobicContact CB-CB 4.05Å; P1490-L1519 HydrophobicContact CG-CB 3.79Å; P1490-L1519 HydrophobicContact CG-CD1 4.46Å; P1490-L1520 HydrophobicContact CB-CB 4.48Å; P1490-L1520 HydrophobicContact CB-CD1 3.94Å; P1490-L1520 HydrophobicContact CB-CG 4.12Å; P1490-L1520 HydrophobicContact CG-CB 4.49Å; P1490-L1520 HydrophobicContact CG-CD1 3.63Å; P1490-L1520 HydrophobicContact CG-CG 3.66Å; P1490-F1526 HydrophobicContact CB-CE2 3.75Å; P1490-F1526 HydrophobicContact CB-CZ 4.1Å
1491H82.8Confident73Confident111 Ų11153.8 Ų53.851%0.51427%0.27SS..Hα-helixtrans-64.6-30.9176.5-62.5-62.6000113.8L1437 W1489 T1495L1437-H1491 HydrophobicContact CD2-CB 4.4Å; W1489-H1491 PolarHBondContact O-N 2.99Å; W1489-H1491 VanDerWaalsContact O-N 3.13Å; H1491-T1495 WeakPolarHBondContact O-CG2 3.48Å; H1491-T1495 PolarHBondContact O-N 2.9Å; H1491-T1495 PolarHBondContact O-OG1 2.8Å
1492L87Confident74.7Confident7 Ų754.7 Ų54.74%0.03728%0.275CS..Hα-helixtrans-71.7-47.5177.9-176.2156.3000110.6L1437 I1471 A1474 E1475 I1478 W1489 P1490 Y1494 T1495 K1496L1437-L1492 HydrophobicContact CD1-CB 4.25Å; L1437-L1492 HydrophobicContact CD1-CG 4.46Å; I1471-L1492 HydrophobicContact CG2-CD2 3.97Å; I1471-L1492 HydrophobicContact CG2-CG 4.2Å; A1474-L1492 HydrophobicContact CB-CD1 3.97Å; E1475-L1492 HydrophobicContact CG-CD1 4.5Å; E1475-L1492 HydrophobicContact CG-CD2 4.13Å; I1478-L1492 HydrophobicContact CD1-CD1 3.79Å; W1489-L1492 HydrophobicContact CB-CB 4.01Å; W1489-L1492 WeakPolarHBondContact O-CB 3.21Å; W1489-L1492 PolarHBondContact O-N 2.94Å; P1490-L1492 VanDerWaalsContact C-N 3.32Å; P1490-L1492 PolarHBondContact O-N 3.02Å; L1492-Y1494 VanDerWaalsContact C-N 3.31Å; L1492-Y1494 PolarHBondContact O-N 2.81Å; L1492-T1495 PolarHBondContact O-N 3.12Å; L1492-T1495 PolarHBondContact O-OG1 3.31Å; L1492-K1496 VanDerWaalsContact O-CB 3.23Å; L1492-K1496 WeakPolarHBondContact O-CB 3.38Å; L1492-K1496 PolarHBondContact O-N 2.97Å
1493H87.5Confident76.4Confident16 Ų1653 Ų537%0.07427%0.266CS..Hα-helixtrans-59.7-43.4172.7-65.3-63000111.1W1489 P1490 K1496 G1497 E1512 K1515 A1516W1489-H1493 PolarHBondContact O-N 3.21Å; P1490-H1493 PolarHBondContact O-N 3.14Å; H1493-K1496 PolarHBondContact O-N 2.9Å; H1493-G1497 PolarHBondContact O-N 3.14Å; H1493-E1512 WeakPolarHBondContact CB-O 3.3Å; H1493-E1512 IonicContact CE1-OE2 3.43Å; H1493-E1512 IonicContact CG-OE2 3.74Å; H1493-E1512 IonicContact ND1-OE2 2.67Å; H1493-E1512 PolarHBondContact ND1-OE2 3.09Å; H1493-E1512 WeakPolarHBondContact O-CB 3.28Å; H1493-K1515 HydrophobicContact CB-CB 4.19Å; H1493-A1516 HydrophobicContact CB-CB 4Å
1494Y89.2Confident78.5Confident58 Ų5852.6 Ų52.623%0.22726%0.257CS..Hα-helixtrans-60.9-48175.9171.8-99.9000113.4P1490 L1492 K1496 G1497 Q1498 F1513 F1526 I1529P1490-Y1494 VanDerWaalsContact O-CB 3.23Å; P1490-Y1494 WeakPolarHBondContact O-CB 3.36Å; P1490-Y1494 PolarHBondContact O-N 2.87Å; L1492-Y1494 VanDerWaalsContact C-N 3.31Å; L1492-Y1494 PolarHBondContact O-N 2.81Å; Y1494-K1496 VanDerWaalsContact C-N 3.33Å; Y1494-K1496 PolarHBondContact O-N 2.99Å; Y1494-G1497 PolarHBondContact O-N 2.99Å; Y1494-Q1498 WeakPolarHBondContact O-CB 3.37Å; Y1494-Q1498 PolarHBondContact O-N 3.08Å; Y1494-F1513 HydrophobicContact CD2-CD1 4.32Å; Y1494-F1513 HydrophobicContact CD2-CE1 4.11Å; Y1494-F1526 HydrophobicContact CD1-CE1 4.13Å; Y1494-F1526 AromaticContact CD2-CD1 3.3Å; Y1494-F1526 HydrophobicContact CD2-CD1 3.3Å; Y1494-F1526 AromaticContact CD2-CE1 3.32Å; Y1494-F1526 HydrophobicContact CD2-CE1 3.32Å; Y1494-F1526 HydrophobicContact CD2-CG 4.32Å; Y1494-F1526 HydrophobicContact CD2-CZ 4.35Å; Y1494-F1526 AromaticContact CE2-CD1 3.69Å; Y1494-F1526 HydrophobicContact CE2-CD1 3.69Å; Y1494-F1526 AromaticContact CE2-CE1 3.91Å; Y1494-F1526 HydrophobicContact CE2-CE1 3.91Å; Y1494-F1526 AromaticContact CG-CD1 3.94Å; Y1494-F1526 HydrophobicContact CG-CD1 3.94Å; Y1494-F1526 AromaticContact CG-CE1 3.43Å; Y1494-F1526 HydrophobicContact CG-CE1 3.43Å; Y1494-F1526 VanDerWaalsContact CG-CE1 3.43Å; Y1494-F1526 HydrophobicContact CG-CZ 4.18Å; Y1494-I1529 HydrophobicContact CE2-CD1 3.65Å; Y1494-I1529 WeakPolarHBondContact OH-CD1 3.43Å
1495T89.7Confident80.5Confident6 Ų649.8 Ų49.84%0.03724%0.238CC..Hα-helixtrans-65.9-37.8177.648.70000111.9L1437 I1441 H1491 L1492 Q1498 I1499L1437-T1495 HydrophobicContact CD1-CG2 4.12Å; L1437-T1495 WeakPolarHBondContact CD1-OG1 3.44Å; I1441-T1495 HydrophobicContact CD1-CG2 4Å; I1441-T1495 HydrophobicContact CG1-CG2 3.56Å; H1491-T1495 WeakPolarHBondContact O-CG2 3.48Å; H1491-T1495 PolarHBondContact O-N 2.9Å; H1491-T1495 PolarHBondContact O-OG1 2.8Å; L1492-T1495 PolarHBondContact O-N 3.12Å; L1492-T1495 PolarHBondContact O-OG1 3.31Å; T1495-Q1498 PolarHBondContact O-N 3.18Å; T1495-I1499 WeakPolarHBondContact O-CD1 3.35Å; T1495-I1499 WeakPolarHBondContact O-CG1 3.34Å; T1495-I1499 PolarHBondContact O-N 2.84Å
1496K90.9Very high82.5Confident30 Ų3046 Ų4613%0.1322%0.219CC..Hα-helixtrans-63.4-49.9176.6-168.8177.3171.1-1690110.5L1468 I1471 E1475 L1492 H1493 Y1494 Q1498 I1499 L1500 E1512L1468-K1496 HydrophobicContact CD2-CG 4.38Å; I1471-K1496 HydrophobicContact CD1-CB 3.93Å; I1471-K1496 HydrophobicContact CG2-CB 4.26Å; I1471-K1496 HydrophobicContact CG2-CD 4.05Å; I1471-K1496 HydrophobicContact CG2-CG 4.22Å; E1475-K1496 WeakPolarHBondContact OE1-CE 3.12Å; E1475-K1496 IonicContact OE1-NZ 3.98Å; E1475-K1496 PolarHBondContact OE1-NZ 3.37Å; L1492-K1496 VanDerWaalsContact O-CB 3.23Å; L1492-K1496 WeakPolarHBondContact O-CB 3.38Å; L1492-K1496 PolarHBondContact O-N 2.97Å; H1493-K1496 PolarHBondContact O-N 2.9Å; Y1494-K1496 VanDerWaalsContact C-N 3.33Å; Y1494-K1496 PolarHBondContact O-N 2.99Å; K1496-Q1498 VanDerWaalsContact C-N 3.31Å; K1496-Q1498 PolarHBondContact O-N 2.77Å; K1496-I1499 PolarHBondContact O-N 3.44Å; K1496-L1500 HydrophobicContact CG-CD1 4.03Å; K1496-L1500 WeakPolarHBondContact O-CB 3.5Å; K1496-L1500 WeakPolarHBondContact O-CD1 3.46Å; K1496-L1500 WeakPolarHBondContact O-CG 3.5Å; K1496-L1500 PolarHBondContact O-N 3.16Å; K1496-E1512 HydrophobicContact CB-CG 4.41Å; K1496-E1512 HydrophobicContact CD-CG 3.99Å; K1496-E1512 HydrophobicContact CG-CG 4.1Å; K1496-E1512 IonicContact NZ-OE1 2.86Å; K1496-E1512 PolarHBondContact NZ-OE1 2.92Å; K1496-E1512 IonicContact NZ-OE2 3.53Å
1497G91Very high84.6Confident0 Ų048.4 Ų48.40%023%0.226CC..Hα-helixtrans-57.6-40.8173.100000112.8H1493 Y1494 L1500 Y1501 A1509 F1513H1493-G1497 PolarHBondContact O-N 3.14Å; Y1494-G1497 PolarHBondContact O-N 2.99Å; G1497-L1500 PolarHBondContact O-N 3.37Å; G1497-Y1501 WeakPolarHBondContact O-CB 3.46Å; G1497-Y1501 PolarHBondContact O-N 3.03Å; G1497-A1509 WeakPolarHBondContact O-CB 3.31Å; G1497-F1513 WeakPolarHBondContact O-CZ 3.26Å
1498Q90.7Very high86.4Confident28 Ų2849.1 Ų49.113%0.13123%0.225CC..Hα-helixtrans-67-37.9178.2-16964.712.200112.8L1444 Y1494 T1495 K1496 Q1502 F1513L1444-Q1498 HydrophobicContact CD1-CG 4.49Å; L1444-Q1498 HydrophobicContact CD2-CB 4.14Å; L1444-Q1498 HydrophobicContact CD2-CG 3.82Å; Y1494-Q1498 WeakPolarHBondContact O-CB 3.37Å; Y1494-Q1498 PolarHBondContact O-N 3.08Å; T1495-Q1498 PolarHBondContact O-N 3.18Å; K1496-Q1498 VanDerWaalsContact C-N 3.31Å; K1496-Q1498 PolarHBondContact O-N 2.77Å; Q1498-Q1502 WeakPolarHBondContact O-CG 3.46Å; Q1498-Q1502 PolarHBondContact O-N 2.94Å; Q1498-F1513 HydrophobicContact CB-CZ 4.45Å
1499I90.7Very high87.8Confident0 Ų045.6 Ų45.60%020%0.202CC..Hα-helixtrans-69.2-43.5173.6-66.3156.8000110.5L1444 L1464 A1467 L1468 I1471 T1495 K1496 Y1501 Q1502 L1503L1444-I1499 HydrophobicContact CB-CG1 4.47Å; L1444-I1499 HydrophobicContact CD1-CG1 3.98Å; L1444-I1499 HydrophobicContact CD2-CG1 4.24Å; L1444-I1499 HydrophobicContact CG-CG1 4.46Å; L1464-I1499 HydrophobicContact CB-CG2 4.14Å; L1464-I1499 HydrophobicContact CD2-CG2 4.21Å; A1467-I1499 HydrophobicContact CB-CD1 3.67Å; A1467-I1499 HydrophobicContact CB-CG1 4.31Å; L1468-I1499 HydrophobicContact CD1-CG2 4.39Å; L1468-I1499 HydrophobicContact CD2-CB 4.26Å; L1468-I1499 HydrophobicContact CD2-CG2 3.85Å; L1468-I1499 HydrophobicContact CG-CG2 3.7Å; I1471-I1499 HydrophobicContact CD1-CD1 3.62Å; T1495-I1499 WeakPolarHBondContact O-CD1 3.35Å; T1495-I1499 WeakPolarHBondContact O-CG1 3.34Å; T1495-I1499 PolarHBondContact O-N 2.84Å; K1496-I1499 PolarHBondContact O-N 3.44Å; I1499-Y1501 VanDerWaalsContact C-N 3.27Å; I1499-Y1501 PolarHBondContact O-N 3.47Å; I1499-Q1502 PolarHBondContact O-N 3.22Å; I1499-Q1502 VanDerWaalsContact O-N 3.16Å; I1499-L1503 HydrophobicContact CG2-CD1 3.98Å; I1499-L1503 HydrophobicContact CG2-CG 4.45Å; I1499-L1503 WeakPolarHBondContact O-CG 3.3Å; I1499-L1503 PolarHBondContact O-N 3.19Å
1500L90.4Very high88.5Confident8 Ų843.8 Ų43.84%0.04220%0.196CC..Hα-helixtrans-61.2-35.2175.9-67.8165.3000112.2L1468 K1496 G1497 L1503 K1504 K1505 E1508 A1509 E1512L1468-L1500 HydrophobicContact CD1-CD2 4.49Å; L1468-L1500 HydrophobicContact CD2-CD2 4.48Å; K1496-L1500 HydrophobicContact CG-CD1 4.03Å; K1496-L1500 WeakPolarHBondContact O-CB 3.5Å; K1496-L1500 WeakPolarHBondContact O-CD1 3.46Å; K1496-L1500 WeakPolarHBondContact O-CG 3.5Å; K1496-L1500 PolarHBondContact O-N 3.16Å; G1497-L1500 PolarHBondContact O-N 3.37Å; L1500-L1503 CarbonylContact O-C 3.57Å; L1500-L1503 PolarHBondContact O-N 3.01Å; L1500-K1504 PolarHBondContact O-N 3.2Å; L1500-K1505 HydrophobicContact CB-CB 4.31Å; L1500-K1505 HydrophobicContact CD2-CB 4.28Å; L1500-K1505 HydrophobicContact CD2-CD 3.76Å; L1500-K1505 WeakPolarHBondContact O-CA 3.32Å; L1500-K1505 WeakPolarHBondContact O-CB 3.38Å; L1500-K1505 PolarHBondContact O-N 3Å; L1500-E1508 HydrophobicContact CD1-CB 3.93Å; L1500-E1508 HydrophobicContact CD2-CB 4.22Å; L1500-E1508 WeakPolarHBondContact CD2-OE2 3.44Å; L1500-E1508 HydrophobicContact CG-CB 4.49Å; L1500-A1509 HydrophobicContact CB-CB 3.91Å; L1500-E1512 HydrophobicContact CD1-CG 3.92Å
1501Y90.3Very high89Confident46 Ų4648.1 Ų48.118%0.1822%0.215CC..Hα-helixtrans-64.2-43.6173.1176.6-82.1000112.2G1497 I1499 L1503 K1504 Y1506 C1533 E1536G1497-Y1501 WeakPolarHBondContact O-CB 3.46Å; G1497-Y1501 PolarHBondContact O-N 3.03Å; I1499-Y1501 VanDerWaalsContact C-N 3.27Å; I1499-Y1501 PolarHBondContact O-N 3.47Å; Y1501-L1503 VanDerWaalsContact C-N 3.34Å; Y1501-K1504 PolarHBondContact O-N 3.47Å; Y1501-K1504 VanDerWaalsContact O-N 3.1Å; Y1501-Y1506 AromaticContact CD2-CD1 3.85Å; Y1501-Y1506 HydrophobicContact CD2-CD1 3.85Å; Y1501-Y1506 AromaticContact CD2-CE1 3.89Å; Y1501-Y1506 HydrophobicContact CD2-CE1 3.89Å; Y1501-Y1506 HydrophobicContact CE2-CD1 4.16Å; Y1501-Y1506 AromaticContact CE2-CE1 3.94Å; Y1501-Y1506 HydrophobicContact CE2-CE1 3.94Å; Y1501-Y1506 HydrophobicContact CG-CE1 4.37Å; Y1501-C1533 HydrophobicContact CD2-CB 4.1Å; Y1501-C1533 HydrophobicContact CE2-CB 4.38Å; Y1501-E1536 HydrophobicContact CE2-CG 4.29Å
1502Q87.5Confident89.3Confident49 Ų4943.5 Ų43.523%0.22919%0.194CC..Hα-helixtrans-64.9-39.6174.7-58.9-52.4-41.400111.5L1444 Y1447 L1464 Q1498 I1499 K1504L1444-Q1502 HydrophobicContact CD1-CG 4.27Å; Y1447-Q1502 HydrophobicContact CD1-CG 4.34Å; Y1447-Q1502 HydrophobicContact CE1-CB 3.93Å; Y1447-Q1502 HydrophobicContact CE1-CG 3.91Å; L1464-Q1502 HydrophobicContact CD1-CB 3.64Å; L1464-Q1502 HydrophobicContact CD2-CB 4.37Å; Q1498-Q1502 WeakPolarHBondContact O-CG 3.46Å; Q1498-Q1502 PolarHBondContact O-N 2.94Å; I1499-Q1502 PolarHBondContact O-N 3.22Å; I1499-Q1502 VanDerWaalsContact O-N 3.16Å; Q1502-K1504 PolarHBondContact O-N 2.79Å
1503L86.8Confident89.5Confident30 Ų3043.1 Ų43.116%0.15719%0.192CC..THydrogen-bonded Turntrans-69.610.9172-66.2172.2000114D1461 L1464 L1468 I1499 L1500 Y1501 K1505D1461-L1503 WeakPolarHBondContact OD1-CD2 3.45Å; L1464-L1503 HydrophobicContact CB-CD1 4.41Å; L1464-L1503 HydrophobicContact CB-CD2 3.76Å; L1464-L1503 HydrophobicContact CB-CG 4.09Å; L1464-L1503 HydrophobicContact CD1-CD2 3.71Å; L1464-L1503 HydrophobicContact CD1-CG 3.92Å; L1464-L1503 HydrophobicContact CG-CD2 4.42Å; L1468-L1503 HydrophobicContact CD1-CD1 3.53Å; L1468-L1503 HydrophobicContact CG-CD1 4.34Å; I1499-L1503 HydrophobicContact CG2-CD1 3.98Å; I1499-L1503 HydrophobicContact CG2-CG 4.45Å; I1499-L1503 WeakPolarHBondContact O-CG 3.3Å; I1499-L1503 PolarHBondContact O-N 3.19Å; L1500-L1503 CarbonylContact O-C 3.57Å; L1500-L1503 PolarHBondContact O-N 3.01Å; Y1501-L1503 VanDerWaalsContact C-N 3.34Å; L1503-K1505 HydrophobicContact CB-CD 4.1Å; L1503-K1505 HydrophobicContact CB-CG 4.46Å; L1503-K1505 PolarHBondContact O-N 3.11Å
1504K85.8Confident89.6Confident146 Ų14644.8 Ų44.864%0.63520%0.203SC*.THydrogen-bonded Turntrans58.615.7178.4-57.2159.3-171.7162.60113.9L1500 Y1501 Q1502 Y1506L1500-K1504 PolarHBondContact O-N 3.2Å; Y1501-K1504 PolarHBondContact O-N 3.47Å; Y1501-K1504 VanDerWaalsContact O-N 3.1Å; Q1502-K1504 PolarHBondContact O-N 2.79Å; K1504-Y1506 VanDerWaalsContact C-N 3.29Å; K1504-Y1506 HydrophobicContact CB-CE2 4.19Å; K1504-Y1506 WeakPolarHBondContact O-CD2 3.35Å; K1504-Y1506 PolarHBondContact O-N 3.44Å; K1504-Y1506 VanDerWaalsContact O-N 3.12Å
1505K89Confident89.5Confident87 Ų8745.1 Ų45.138%0.37821%0.206SC..  trans-86.755.3179.8-76.4164.3149.9-87.90111.6L1500 L1503 K1507 E1508 A1509L1500-K1505 HydrophobicContact CB-CB 4.31Å; L1500-K1505 HydrophobicContact CD2-CB 4.28Å; L1500-K1505 HydrophobicContact CD2-CD 3.76Å; L1500-K1505 WeakPolarHBondContact O-CA 3.32Å; L1500-K1505 WeakPolarHBondContact O-CB 3.38Å; L1500-K1505 PolarHBondContact O-N 3Å; L1503-K1505 HydrophobicContact CB-CD 4.1Å; L1503-K1505 HydrophobicContact CB-CG 4.46Å; L1503-K1505 PolarHBondContact O-N 3.11Å; K1505-K1507 VanDerWaalsContact C-N 3.29Å; K1505-K1507 PolarHBondContact O-N 3.28Å; K1505-K1507 VanDerWaalsContact O-N 3.1Å; K1505-E1508 HydrophobicContact CB-CB 4.35Å; K1505-E1508 IonicContact NZ-OE1 3.88Å; K1505-E1508 PolarHBondContact NZ-OE1 3.42Å; K1505-E1508 IonicContact NZ-OE2 3.39Å; K1505-E1508 PolarHBondContact NZ-OE2 2.96Å; K1505-E1508 PolarHBondContact O-N 3.05Å; K1505-E1508 VanDerWaalsContact O-N 3.09Å; K1505-A1509 PolarHBondContact O-N 3.23Å
1506Y88.8Confident89.4Confident37 Ų3744.9 Ų44.915%0.14520%0.204CC..Hα-helixtrans-57.7-32.1-166.5-53.8-64.6000115.4Y1501 K1504 A1509 E1510 C1533 E1536 M1537 T1540 L1542Y1501-Y1506 AromaticContact CD2-CD1 3.85Å; Y1501-Y1506 HydrophobicContact CD2-CD1 3.85Å; Y1501-Y1506 AromaticContact CD2-CE1 3.89Å; Y1501-Y1506 HydrophobicContact CD2-CE1 3.89Å; Y1501-Y1506 HydrophobicContact CE2-CD1 4.16Å; Y1501-Y1506 AromaticContact CE2-CE1 3.94Å; Y1501-Y1506 HydrophobicContact CE2-CE1 3.94Å; Y1501-Y1506 HydrophobicContact CG-CE1 4.37Å; K1504-Y1506 VanDerWaalsContact C-N 3.29Å; K1504-Y1506 HydrophobicContact CB-CE2 4.19Å; K1504-Y1506 WeakPolarHBondContact O-CD2 3.35Å; K1504-Y1506 PolarHBondContact O-N 3.44Å; K1504-Y1506 VanDerWaalsContact O-N 3.12Å; Y1506-A1509 PolarHBondContact O-N 3.03Å; Y1506-E1510 PolarHBondContact O-N 3.34Å; Y1506-C1533 PolarHBondContact O-SG 3.47Å; Y1506-C1533 VanDerWaalsContact O-SG 3.35Å; Y1506-E1536 HydrophobicContact CD1-CB 4.22Å; Y1506-E1536 HydrophobicContact CE1-CB 4.05Å; Y1506-E1536 HydrophobicContact CE1-CG 4.44Å; Y1506-M1537 VanDerWaalsContact CB-CG 3.48Å; Y1506-M1537 HydrophobicContact CG-CG 4.43Å; Y1506-T1540 HydrophobicContact CE2-CG2 4.32Å; Y1506-L1542 HydrophobicContact CD2-CD1 4.23Å
1507K87.6Confident89.2Confident121 Ų12143.8 Ų43.853%0.52620%0.2SC..Hα-helixtrans-65.6-48.9175.1-74.1-179.5172.7174.90112.7K1505 A1509 E1510 E1511 M1537K1505-K1507 VanDerWaalsContact C-N 3.29Å; K1505-K1507 PolarHBondContact O-N 3.28Å; K1505-K1507 VanDerWaalsContact O-N 3.1Å; K1507-A1509 PolarHBondContact O-N 2.79Å; K1507-E1510 PolarHBondContact O-N 3.49Å; K1507-E1511 PolarHBondContact O-N 3.01Å; K1507-E1511 VanDerWaalsContact O-N 3.1Å; K1507-M1537 HydrophobicContact CG-CE 3.98Å
1508E90.4Very high88.9Confident84 Ų8447.9 Ų47.939%0.39323%0.229SC..Hα-helixtrans-63.8-34.5176-61.5168.7-136.800110.6L1500 K1505 E1512L1500-E1508 HydrophobicContact CD1-CB 3.93Å; L1500-E1508 HydrophobicContact CD2-CB 4.22Å; L1500-E1508 WeakPolarHBondContact CD2-OE2 3.44Å; L1500-E1508 HydrophobicContact CG-CB 4.49Å; K1505-E1508 HydrophobicContact CB-CB 4.35Å; K1505-E1508 IonicContact NZ-OE1 3.88Å; K1505-E1508 PolarHBondContact NZ-OE1 3.42Å; K1505-E1508 IonicContact NZ-OE2 3.39Å; K1505-E1508 PolarHBondContact NZ-OE2 2.96Å; K1505-E1508 PolarHBondContact O-N 3.05Å; K1505-E1508 VanDerWaalsContact O-N 3.09Å; E1508-E1512 PolarHBondContact O-N 2.91Å; E1508-E1512 VanDerWaalsContact O-N 3.13Å
1509A91.2Very high88.4Confident0 Ų049 Ų490%024%0.235CC..Hα-helixtrans-66.2-44.8174.400000112.6G1497 L1500 K1505 Y1506 K1507 E1511 E1512 F1513G1497-A1509 WeakPolarHBondContact O-CB 3.31Å; L1500-A1509 HydrophobicContact CB-CB 3.91Å; K1505-A1509 PolarHBondContact O-N 3.23Å; Y1506-A1509 PolarHBondContact O-N 3.03Å; K1507-A1509 PolarHBondContact O-N 2.79Å; A1509-E1511 VanDerWaalsContact C-N 3.33Å; A1509-E1511 PolarHBondContact O-N 3.42Å; A1509-E1512 PolarHBondContact O-N 2.9Å; A1509-F1513 HydrophobicContact CB-CD2 4.35Å; A1509-F1513 HydrophobicContact CB-CE2 3.96Å; A1509-F1513 WeakPolarHBondContact O-CD2 3.12Å; A1509-F1513 VanDerWaalsContact O-CG 3.32Å; A1509-F1513 WeakPolarHBondContact O-CG 3.48Å; A1509-F1513 PolarHBondContact O-N 3.19Å
1510E90.1Very high87.9Confident40 Ų4052 Ų5219%0.18725%0.251CS..Hα-helixtrans-61.4-40.7175.5-165.1-166.1173.700111.7Y1506 K1507 E1512 F1513 T1514 R1530 R1534 M1537Y1506-E1510 PolarHBondContact O-N 3.34Å; K1507-E1510 PolarHBondContact O-N 3.49Å; E1510-E1512 PolarHBondContact O-N 3.35Å; E1510-F1513 PolarHBondContact O-N 2.9Å; E1510-T1514 HydrophobicContact CG-CG2 4.33Å; E1510-T1514 WeakPolarHBondContact O-CB 3.41Å; E1510-T1514 VanDerWaalsContact O-CG2 3.3Å; E1510-T1514 WeakPolarHBondContact O-CG2 3.1Å; E1510-T1514 PolarHBondContact O-N 2.91Å; E1510-T1514 PolarHBondContact O-OG1 2.91Å; E1510-R1530 HydrophobicContact CG-CG 4.3Å; E1510-R1534 HydrophobicContact CG-CG 4.45Å; E1510-R1534 IonicContact OE1-CZ 3.15Å; E1510-R1534 IonicContact OE1-NE 2.72Å; E1510-R1534 PolarHBondContact OE1-NE 2.81Å; E1510-R1534 IonicContact OE1-NH2 2.72Å; E1510-R1534 PolarHBondContact OE1-NH2 3.44Å; E1510-M1537 HydrophobicContact CB-SD 3.96Å; E1510-M1537 VanDerWaalsContact OE2-CE 3.23Å; E1510-M1537 WeakPolarHBondContact OE2-CE 3.25Å
1511E90.8Very high87.5Confident107 Ų10755.5 Ų55.550%0.527%0.274SS..Hα-helixtrans-58.5-45.6173.6-78.1-171.5-149.500112.3K1507 A1509 T1514 K1515K1507-E1511 PolarHBondContact O-N 3.01Å; K1507-E1511 VanDerWaalsContact O-N 3.1Å; A1509-E1511 VanDerWaalsContact C-N 3.33Å; A1509-E1511 PolarHBondContact O-N 3.42Å; E1511-T1514 WeakPolarHBondContact CA-OG1 3.45Å; E1511-T1514 PolarHBondContact O-N 2.94Å; E1511-T1514 PolarHBondContact O-OG1 3.28Å; E1511-K1515 WeakPolarHBondContact O-CD 3.28Å; E1511-K1515 VanDerWaalsContact O-CE 3.28Å; E1511-K1515 WeakPolarHBondContact O-CE 3.31Å; E1511-K1515 WeakPolarHBondContact O-CG 3.1Å; E1511-K1515 PolarHBondContact O-N 3.07Å; E1511-K1515 IonicContact OE2-NZ 2.68Å; E1511-K1515 PolarHBondContact OE2-NZ 3.3Å
1512E90.7Very high86.8Confident13 Ų1356 Ų566%0.06128%0.284CS..Hα-helixtrans-72.3-33.7178.5-65.1-62.914900112.1H1493 K1496 L1500 E1508 A1509 E1510 K1515 A1516H1493-E1512 WeakPolarHBondContact CB-O 3.3Å; H1493-E1512 IonicContact CE1-OE2 3.43Å; H1493-E1512 IonicContact CG-OE2 3.74Å; H1493-E1512 IonicContact ND1-OE2 2.67Å; H1493-E1512 PolarHBondContact ND1-OE2 3.09Å; H1493-E1512 WeakPolarHBondContact O-CB 3.28Å; K1496-E1512 HydrophobicContact CB-CG 4.41Å; K1496-E1512 HydrophobicContact CD-CG 3.99Å; K1496-E1512 HydrophobicContact CG-CG 4.1Å; K1496-E1512 IonicContact NZ-OE1 2.86Å; K1496-E1512 PolarHBondContact NZ-OE1 2.92Å; K1496-E1512 IonicContact NZ-OE2 3.53Å; L1500-E1512 HydrophobicContact CD1-CG 3.92Å; E1508-E1512 PolarHBondContact O-N 2.91Å; E1508-E1512 VanDerWaalsContact O-N 3.13Å; A1509-E1512 PolarHBondContact O-N 2.9Å; E1510-E1512 PolarHBondContact O-N 3.35Å; E1512-K1515 PolarHBondContact O-N 3.39Å; E1512-K1515 IonicContact OE1-NZ 3.23Å; E1512-K1515 PolarHBondContact OE1-NZ 3.18Å; E1512-A1516 PolarHBondContact O-N 3.25Å
1513F91.3Very high86.5Confident0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-69.7-32.1172.2-63.7-47.5000113.4Y1494 G1497 Q1498 A1509 E1510 A1516 L1517 I1529 R1530 C1533Y1494-F1513 HydrophobicContact CD2-CD1 4.32Å; Y1494-F1513 HydrophobicContact CD2-CE1 4.11Å; G1497-F1513 WeakPolarHBondContact O-CZ 3.26Å; Q1498-F1513 HydrophobicContact CB-CZ 4.45Å; A1509-F1513 HydrophobicContact CB-CD2 4.35Å; A1509-F1513 HydrophobicContact CB-CE2 3.96Å; A1509-F1513 WeakPolarHBondContact O-CD2 3.12Å; A1509-F1513 VanDerWaalsContact O-CG 3.32Å; A1509-F1513 WeakPolarHBondContact O-CG 3.48Å; A1509-F1513 PolarHBondContact O-N 3.19Å; E1510-F1513 PolarHBondContact O-N 2.9Å; F1513-A1516 PolarHBondContact O-N 2.96Å; F1513-L1517 WeakPolarHBondContact O-CB 3.36Å; F1513-L1517 PolarHBondContact O-N 3.48Å; F1513-I1529 HydrophobicContact CD1-CG2 4.15Å; F1513-I1529 HydrophobicContact CD2-CG2 4.35Å; F1513-I1529 HydrophobicContact CE1-CG2 3.5Å; F1513-I1529 HydrophobicContact CE2-CG2 3.74Å; F1513-I1529 HydrophobicContact CZ-CG2 3.26Å; F1513-R1530 HydrophobicContact CB-CB 4.12Å; F1513-R1530 HydrophobicContact CB-CG 4.15Å; F1513-C1533 HydrophobicContact CD2-CB 4.1Å; F1513-C1533 HydrophobicContact CE2-CB 4.06Å
1514T89.4Confident86.3Confident50 Ų5056.1 Ų56.131%0.30728%0.284SS..Hα-helixtrans-70-37.7171.853.40000111.4E1510 E1511 L1517 S1518E1510-T1514 HydrophobicContact CG-CG2 4.33Å; E1510-T1514 WeakPolarHBondContact O-CB 3.41Å; E1510-T1514 VanDerWaalsContact O-CG2 3.3Å; E1510-T1514 WeakPolarHBondContact O-CG2 3.1Å; E1510-T1514 PolarHBondContact O-N 2.91Å; E1510-T1514 PolarHBondContact O-OG1 2.91Å; E1511-T1514 WeakPolarHBondContact CA-OG1 3.45Å; E1511-T1514 PolarHBondContact O-N 2.94Å; E1511-T1514 PolarHBondContact O-OG1 3.28Å; T1514-L1517 PolarHBondContact O-N 2.81Å; T1514-S1518 PolarHBondContact O-N 3.44Å
1515K87.4Confident86.2Confident66 Ų6656.2 Ų56.229%0.28728%0.282SS..Hα-helixtrans-63-37.4169.3-65.7161.9-148.1171.40112.2H1493 E1511 E1512 S1518 L1519H1493-K1515 HydrophobicContact CB-CB 4.19Å; E1511-K1515 WeakPolarHBondContact O-CD 3.28Å; E1511-K1515 VanDerWaalsContact O-CE 3.28Å; E1511-K1515 WeakPolarHBondContact O-CE 3.31Å; E1511-K1515 WeakPolarHBondContact O-CG 3.1Å; E1511-K1515 PolarHBondContact O-N 3.07Å; E1511-K1515 IonicContact OE2-NZ 2.68Å; E1511-K1515 PolarHBondContact OE2-NZ 3.3Å; E1512-K1515 PolarHBondContact O-N 3.39Å; E1512-K1515 IonicContact OE1-NZ 3.23Å; E1512-K1515 PolarHBondContact OE1-NZ 3.18Å; K1515-S1518 PolarHBondContact O-OG 3.2Å; K1515-S1518 VanDerWaalsContact O-OG 3.04Å; K1515-L1519 WeakPolarHBondContact O-CG 3.49Å
1516A86.4Confident86.1Confident0 Ų052.3 Ų52.30%027%0.265CS..Hα-helixtrans-66.8-41.2174.400000112.3H1493 E1512 F1513 L1519 L1520 F1526H1493-A1516 HydrophobicContact CB-CB 4Å; E1512-A1516 PolarHBondContact O-N 3.25Å; F1513-A1516 PolarHBondContact O-N 2.96Å; A1516-L1519 PolarHBondContact O-N 2.9Å; A1516-L1520 PolarHBondContact O-N 3.02Å; A1516-L1520 VanDerWaalsContact O-N 3.1Å; A1516-F1526 HydrophobicContact CB-CD2 3.9Å; A1516-F1526 HydrophobicContact CB-CE2 3.87Å; A1516-F1526 HydrophobicContact CB-CG 4.47Å; A1516-F1526 HydrophobicContact CB-CZ 4.43Å
1517L86.4Confident86Confident7 Ų751.7 Ų51.74%0.03726%0.262CS..Hα-helixtrans-75.2-25.7179.8-82.1165.2000114.4F1513 T1514 L1519 L1520 P1521 F1526 Y1527 R1530F1513-L1517 WeakPolarHBondContact O-CB 3.36Å; F1513-L1517 PolarHBondContact O-N 3.48Å; T1514-L1517 PolarHBondContact O-N 2.81Å; L1517-L1519 PolarHBondContact O-N 2.95Å; L1517-L1520 CarbonylContact O-C 3.56Å; L1517-P1521 WeakPolarHBondContact O-CA 3.44Å; L1517-P1521 WeakPolarHBondContact O-CB 3.43Å; L1517-P1521 VanDerWaalsContact O-N 3.11Å; L1517-F1526 HydrophobicContact CD1-CB 4.23Å; L1517-F1526 HydrophobicContact CD2-CB 3.56Å; L1517-F1526 HydrophobicContact CD2-CD2 4.33Å; L1517-F1526 HydrophobicContact CD2-CG 4.49Å; L1517-F1526 HydrophobicContact CG-CB 3.67Å; L1517-F1526 HydrophobicContact CG-CD2 4.41Å; L1517-Y1527 HydrophobicContact CD1-CD1 3.81Å; L1517-Y1527 HydrophobicContact CD1-CE1 3.95Å; L1517-Y1527 HydrophobicContact CD1-CG 4.33Å; L1517-Y1527 HydrophobicContact CD2-CD1 4.06Å; L1517-Y1527 HydrophobicContact CD2-CD2 3.83Å; L1517-Y1527 HydrophobicContact CD2-CE1 3.88Å; L1517-Y1527 HydrophobicContact CD2-CE2 3.67Å; L1517-Y1527 HydrophobicContact CD2-CG 4.02Å; L1517-R1530 HydrophobicContact CD1-CB 4.24Å; L1517-R1530 VanDerWaalsContact CD1-CZ 3.4Å; L1517-R1530 VanDerWaalsContact CD1-NH1 3.31Å
1518S84.9Confident86Confident87 Ų8748.9 Ų48.961%0.60825%0.251SS*.Hα-helixtrans-68.5-17.6172.165.50000112.9T1514 K1515T1514-S1518 PolarHBondContact O-N 3.44Å; K1515-S1518 PolarHBondContact O-OG 3.2Å; K1515-S1518 VanDerWaalsContact O-OG 3.04Å
1519L81Confident85.8Confident52 Ų5246 Ų4627%0.27224%0.238SC..Hα-helixtrans-102.3-31.2-179.9-54.5-179.2000113.4T1487 P1490 K1515 A1516 L1517T1487-L1519 VanDerWaalsContact C-CD1 3.45Å; T1487-L1519 WeakPolarHBondContact O-CD1 3.5Å; T1487-L1519 WeakPolarHBondContact O-CD2 3.22Å; P1490-L1519 HydrophobicContact CB-CB 4.05Å; P1490-L1519 HydrophobicContact CG-CB 3.79Å; P1490-L1519 HydrophobicContact CG-CD1 4.46Å; K1515-L1519 WeakPolarHBondContact O-CG 3.49Å; A1516-L1519 PolarHBondContact O-N 2.9Å; L1517-L1519 PolarHBondContact O-N 2.95Å
1520L80.8Confident85.7Confident61 Ų6147.4 Ų47.432%0.31924%0.243SC..  trans-130.575.1170-73.8175.6000110.7P1490 A1516 L1517 S1522 N1523 F1526P1490-L1520 HydrophobicContact CB-CB 4.48Å; P1490-L1520 HydrophobicContact CB-CD1 3.94Å; P1490-L1520 HydrophobicContact CB-CG 4.12Å; P1490-L1520 HydrophobicContact CG-CB 4.49Å; P1490-L1520 HydrophobicContact CG-CD1 3.63Å; P1490-L1520 HydrophobicContact CG-CG 3.66Å; A1516-L1520 PolarHBondContact O-N 3.02Å; A1516-L1520 VanDerWaalsContact O-N 3.1Å; L1517-L1520 CarbonylContact O-C 3.56Å; L1520-S1522 PolarHBondContact O-N 2.82Å; L1520-S1522 VanDerWaalsContact O-N 3.11Å; L1520-N1523 HydrophobicContact CB-CB 4.09Å; L1520-N1523 PolarHBondContact O-N 2.95Å; L1520-N1523 VanDerWaalsContact O-N 3.13Å; L1520-F1526 HydrophobicContact CB-CD2 4.39Å; L1520-F1526 HydrophobicContact CB-CE2 4.03Å; L1520-F1526 HydrophobicContact CD1-CE2 4.2Å
1521P80.7Confident85.6Confident83 Ų8346.1 Ų46.154%0.53924%0.239SC..THydrogen-bonded Turntrans-70.3-3.2-17829.3-36.7000114.1L1517 Y1527L1517-P1521 WeakPolarHBondContact O-CA 3.44Å; L1517-P1521 WeakPolarHBondContact O-CB 3.43Å; L1517-P1521 VanDerWaalsContact O-N 3.11Å; P1521-Y1527 VanDerWaalsContact O-CE2 3.29Å; P1521-Y1527 WeakPolarHBondContact O-CE2 3.44Å; P1521-Y1527 PolarHBondContact O-OH 2.71Å
1522S76.3Confident85.5Confident55 Ų5546.5 Ų46.539%0.38524%0.238SC..THydrogen-bonded Turntrans-95.7-8172.9530000113.7L1520 K1524 T1563L1520-S1522 PolarHBondContact O-N 2.82Å; L1520-S1522 VanDerWaalsContact O-N 3.11Å; S1522-K1524 PolarHBondContact O-N 3.45Å; S1522-K1524 VanDerWaalsContact O-N 3.12Å; S1522-T1563 WeakPolarHBondContact O-CG2 3.32Å
1523N80.2Confident85.5Confident31 Ų3145.9 Ų45.917%0.16624%0.236CC..  trans-80.8100.8-170.3-172.3-5.8000112.7L1520 Y1525 F1526 Y1527L1520-N1523 HydrophobicContact CB-CB 4.09Å; L1520-N1523 PolarHBondContact O-N 2.95Å; L1520-N1523 VanDerWaalsContact O-N 3.13Å; N1523-Y1525 VanDerWaalsContact C-N 3.29Å; N1523-Y1525 PolarHBondContact O-N 2.9Å; N1523-Y1525 PolarHBondContact OD1-N 3.38Å; N1523-Y1525 VanDerWaalsContact OD1-N 3.15Å; N1523-F1526 HydrophobicContact CB-CB 4.39Å; N1523-F1526 HydrophobicContact CB-CD2 3.81Å; N1523-F1526 HydrophobicContact CB-CE2 4.24Å; N1523-F1526 HydrophobicContact CB-CG 3.99Å; N1523-F1526 VanDerWaalsContact ND2-CD1 3.31Å; N1523-F1526 WeakPolarHBondContact ND2-CD1 3.23Å; N1523-F1526 WeakPolarHBondContact ND2-CE1 3.38Å; N1523-F1526 WeakPolarHBondContact ND2-CE2 3.19Å; N1523-F1526 VanDerWaalsContact ND2-CZ 3.27Å; N1523-F1526 WeakPolarHBondContact ND2-CZ 3.38Å; N1523-F1526 PolarHBondContact O-N 3.45Å; N1523-Y1527 PolarHBondContact O-N 3.12Å
1524K83.3Confident85.3Confident52 Ų5247.2 Ų47.223%0.22624%0.241CC..Hα-helixtrans-42-49.5173.6174.9174.6173.8-178.70114S1522 F1526 Y1527 E1528 A1559 N1560S1522-K1524 PolarHBondContact O-N 3.45Å; S1522-K1524 VanDerWaalsContact O-N 3.12Å; K1524-F1526 VanDerWaalsContact C-N 3.25Å; K1524-F1526 PolarHBondContact O-N 2.88Å; K1524-Y1527 WeakPolarHBondContact O-CB 3.16Å; K1524-Y1527 PolarHBondContact O-N 3.05Å; K1524-Y1527 VanDerWaalsContact O-N 3.07Å; K1524-E1528 WeakPolarHBondContact CE-OE1 3.31Å; K1524-E1528 HydrophobicContact CG-CG 4.27Å; K1524-E1528 IonicContact NZ-OE1 3.54Å; K1524-E1528 PolarHBondContact O-N 2.72Å; K1524-A1559 HydrophobicContact CB-CB 3.86Å; K1524-N1560 VanDerWaalsContact CD-OD1 3.27Å; K1524-N1560 WeakPolarHBondContact CD-OD1 3.27Å; K1524-N1560 WeakPolarHBondContact CE-OD1 3.31Å; K1524-N1560 PolarHBondContact NZ-OD1 2.83Å
1525Y83.2Confident85.2Confident148 Ų14847.6 Ų47.658%0.5824%0.239SC*.Hα-helixtrans-63.9-31.5-174.8-66.5-71.3000112.8N1523 I1529N1523-Y1525 VanDerWaalsContact C-N 3.29Å; N1523-Y1525 PolarHBondContact O-N 2.9Å; N1523-Y1525 PolarHBondContact OD1-N 3.38Å; N1523-Y1525 VanDerWaalsContact OD1-N 3.15Å; Y1525-I1529 WeakPolarHBondContact O-CB 3.47Å; Y1525-I1529 PolarHBondContact O-N 3.04Å; Y1525-I1529 VanDerWaalsContact O-N 3.1Å
1526F87.9Confident85.2Confident4 Ų446.4 Ų46.42%0.01823%0.234CC..Hα-helixtrans-71.2-36.6175.8-63.7-7.1000111.2P1490 Y1494 A1516 L1517 L1520 N1523 K1524 R1530P1490-F1526 HydrophobicContact CB-CE2 3.75Å; P1490-F1526 HydrophobicContact CB-CZ 4.1Å; Y1494-F1526 HydrophobicContact CD1-CE1 4.13Å; Y1494-F1526 AromaticContact CD2-CD1 3.3Å; Y1494-F1526 HydrophobicContact CD2-CD1 3.3Å; Y1494-F1526 AromaticContact CD2-CE1 3.32Å; Y1494-F1526 HydrophobicContact CD2-CE1 3.32Å; Y1494-F1526 HydrophobicContact CD2-CG 4.32Å; Y1494-F1526 HydrophobicContact CD2-CZ 4.35Å; Y1494-F1526 AromaticContact CE2-CD1 3.69Å; Y1494-F1526 HydrophobicContact CE2-CD1 3.69Å; Y1494-F1526 AromaticContact CE2-CE1 3.91Å; Y1494-F1526 HydrophobicContact CE2-CE1 3.91Å; Y1494-F1526 AromaticContact CG-CD1 3.94Å; Y1494-F1526 HydrophobicContact CG-CD1 3.94Å; Y1494-F1526 AromaticContact CG-CE1 3.43Å; Y1494-F1526 HydrophobicContact CG-CE1 3.43Å; Y1494-F1526 VanDerWaalsContact CG-CE1 3.43Å; Y1494-F1526 HydrophobicContact CG-CZ 4.18Å; A1516-F1526 HydrophobicContact CB-CD2 3.9Å; A1516-F1526 HydrophobicContact CB-CE2 3.87Å; A1516-F1526 HydrophobicContact CB-CG 4.47Å; A1516-F1526 HydrophobicContact CB-CZ 4.43Å; L1517-F1526 HydrophobicContact CD1-CB 4.23Å; L1517-F1526 HydrophobicContact CD2-CB 3.56Å; L1517-F1526 HydrophobicContact CD2-CD2 4.33Å; L1517-F1526 HydrophobicContact CD2-CG 4.49Å; L1517-F1526 HydrophobicContact CG-CB 3.67Å; L1517-F1526 HydrophobicContact CG-CD2 4.41Å; L1520-F1526 HydrophobicContact CB-CD2 4.39Å; L1520-F1526 HydrophobicContact CB-CE2 4.03Å; L1520-F1526 HydrophobicContact CD1-CE2 4.2Å; N1523-F1526 HydrophobicContact CB-CB 4.39Å; N1523-F1526 HydrophobicContact CB-CD2 3.81Å; N1523-F1526 HydrophobicContact CB-CE2 4.24Å; N1523-F1526 HydrophobicContact CB-CG 3.99Å; N1523-F1526 VanDerWaalsContact ND2-CD1 3.31Å; N1523-F1526 WeakPolarHBondContact ND2-CD1 3.23Å; N1523-F1526 WeakPolarHBondContact ND2-CE1 3.38Å; N1523-F1526 WeakPolarHBondContact ND2-CE2 3.19Å; N1523-F1526 VanDerWaalsContact ND2-CZ 3.27Å; N1523-F1526 WeakPolarHBondContact ND2-CZ 3.38Å; N1523-F1526 PolarHBondContact O-N 3.45Å; K1524-F1526 VanDerWaalsContact C-N 3.25Å; K1524-F1526 PolarHBondContact O-N 2.88Å; F1526-R1530 WeakPolarHBondContact O-CB 3.5Å; F1526-R1530 PolarHBondContact O-N 3.33Å
1527Y87Confident85.2Confident25 Ų2546.7 Ų46.710%0.09824%0.236CC..Hα-helixtrans-67.2-43.3171.4-72.3-68.4000112.5L1517 P1521 N1523 K1524 I1529 R1530 C1531 D1552 L1555L1517-Y1527 HydrophobicContact CD1-CD1 3.81Å; L1517-Y1527 HydrophobicContact CD1-CE1 3.95Å; L1517-Y1527 HydrophobicContact CD1-CG 4.33Å; L1517-Y1527 HydrophobicContact CD2-CD1 4.06Å; L1517-Y1527 HydrophobicContact CD2-CD2 3.83Å; L1517-Y1527 HydrophobicContact CD2-CE1 3.88Å; L1517-Y1527 HydrophobicContact CD2-CE2 3.67Å; L1517-Y1527 HydrophobicContact CD2-CG 4.02Å; P1521-Y1527 VanDerWaalsContact O-CE2 3.29Å; P1521-Y1527 WeakPolarHBondContact O-CE2 3.44Å; P1521-Y1527 PolarHBondContact O-OH 2.71Å; N1523-Y1527 PolarHBondContact O-N 3.12Å; K1524-Y1527 WeakPolarHBondContact O-CB 3.16Å; K1524-Y1527 PolarHBondContact O-N 3.05Å; K1524-Y1527 VanDerWaalsContact O-N 3.07Å; Y1527-I1529 VanDerWaalsContact C-N 3.28Å; Y1527-I1529 PolarHBondContact O-N 3.49Å; Y1527-R1530 PolarHBondContact O-N 3Å; Y1527-C1531 WeakPolarHBondContact O-CB 3.25Å; Y1527-C1531 PolarHBondContact O-N 2.94Å; Y1527-D1552 HydrophobicContact CD1-CB 4.5Å; Y1527-L1555 HydrophobicContact CD1-CB 3.71Å; Y1527-L1555 HydrophobicContact CD1-CD1 4.21Å; Y1527-L1555 HydrophobicContact CD2-CB 4.22Å; Y1527-L1555 HydrophobicContact CE1-CB 3.65Å; Y1527-L1555 HydrophobicContact CE1-CD1 3.59Å; Y1527-L1555 HydrophobicContact CE1-CG 4.19Å; Y1527-L1555 HydrophobicContact CE2-CB 4.15Å; Y1527-L1555 HydrophobicContact CG-CB 4Å
1528E86.4Confident85.2Confident62 Ų6251.6 Ų51.629%0.2926%0.255SS..Hα-helixtrans-59.7-38.3177.1-70.6-175.3164.400112.4K1524 C1531 K1532K1524-E1528 WeakPolarHBondContact CE-OE1 3.31Å; K1524-E1528 HydrophobicContact CG-CG 4.27Å; K1524-E1528 IonicContact NZ-OE1 3.54Å; K1524-E1528 PolarHBondContact O-N 2.72Å; E1528-C1531 WeakPolarHBondContact O-CB 3.26Å; E1528-K1532 WeakPolarHBondContact O-CG 3.22Å; E1528-K1532 PolarHBondContact O-N 3.04Å; E1528-K1532 VanDerWaalsContact O-N 3.11Å
1529I86.3Confident85.1Confident24 Ų2454.8 Ų54.812%0.12325%0.253CS..Hα-helixtrans-82-35.4-179.4-74166.6000111.9Y1494 F1513 Y1525 Y1527 C1531 K1532 C1533Y1494-I1529 HydrophobicContact CE2-CD1 3.65Å; Y1494-I1529 WeakPolarHBondContact OH-CD1 3.43Å; F1513-I1529 HydrophobicContact CD1-CG2 4.15Å; F1513-I1529 HydrophobicContact CD2-CG2 4.35Å; F1513-I1529 HydrophobicContact CE1-CG2 3.5Å; F1513-I1529 HydrophobicContact CE2-CG2 3.74Å; F1513-I1529 HydrophobicContact CZ-CG2 3.26Å; Y1525-I1529 WeakPolarHBondContact O-CB 3.47Å; Y1525-I1529 PolarHBondContact O-N 3.04Å; Y1525-I1529 VanDerWaalsContact O-N 3.1Å; Y1527-I1529 VanDerWaalsContact C-N 3.28Å; Y1527-I1529 PolarHBondContact O-N 3.49Å; I1529-C1531 VanDerWaalsContact C-N 3.31Å; I1529-C1531 PolarHBondContact O-N 3.41Å; I1529-K1532 PolarHBondContact O-N 3.1Å; I1529-C1533 WeakPolarHBondContact O-CB 3.44Å; I1529-C1533 PolarHBondContact O-N 2.82Å
1530R89.3Confident85.2Confident29 Ų2955.6 Ų55.611%0.10926%0.261CS..Hα-helixtrans-64.7-37.1168.7-164.9174.370.3-169.23.3111.7E1510 F1513 L1517 F1526 Y1527 C1533 R1534 D1552E1510-R1530 HydrophobicContact CG-CG 4.3Å; F1513-R1530 HydrophobicContact CB-CB 4.12Å; F1513-R1530 HydrophobicContact CB-CG 4.15Å; L1517-R1530 HydrophobicContact CD1-CB 4.24Å; L1517-R1530 VanDerWaalsContact CD1-CZ 3.4Å; L1517-R1530 VanDerWaalsContact CD1-NH1 3.31Å; F1526-R1530 WeakPolarHBondContact O-CB 3.5Å; F1526-R1530 PolarHBondContact O-N 3.33Å; Y1527-R1530 PolarHBondContact O-N 3Å; R1530-C1533 PolarHBondContact O-N 3.21Å; R1530-R1534 HydrophobicContact CG-CG 4.43Å; R1530-R1534 WeakPolarHBondContact O-CB 3.4Å; R1530-R1534 WeakPolarHBondContact O-CG 3.45Å; R1530-R1534 PolarHBondContact O-N 2.81Å; R1530-D1552 WeakPolarHBondContact CG-OD2 3.29Å; R1530-D1552 IonicContact CZ-OD1 3.7Å; R1530-D1552 IonicContact CZ-OD2 3.56Å; R1530-D1552 IonicContact NE-OD1 3.8Å; R1530-D1552 PolarHBondContact NE-OD1 2.89Å; R1530-D1552 IonicContact NE-OD2 3.08Å; R1530-D1552 PolarHBondContact NE-OD2 2.99Å; R1530-D1552 IonicContact NH2-OD1 2.79Å; R1530-D1552 PolarHBondContact NH2-OD1 3.47Å; R1530-D1552 IonicContact NH2-OD2 3.88Å
1531C88.6Confident85.1Confident13 Ų1355.4 Ų55.49%0.08827%0.274CS..Hα-helixtrans-58-49.8172.4-175.10000111.1Y1527 E1528 I1529 R1534 E1535 V1549 D1552Y1527-C1531 WeakPolarHBondContact O-CB 3.25Å; Y1527-C1531 PolarHBondContact O-N 2.94Å; E1528-C1531 WeakPolarHBondContact O-CB 3.26Å; I1529-C1531 VanDerWaalsContact C-N 3.31Å; I1529-C1531 PolarHBondContact O-N 3.41Å; C1531-R1534 PolarHBondContact O-N 3.02Å; C1531-E1535 WeakPolarHBondContact O-CB 3.33Å; C1531-E1535 PolarHBondContact O-N 3.36Å; C1531-V1549 VanDerWaalsContact SG-CG1 3.54Å; C1531-D1552 HydrophobicContact CB-CB 3.91Å
1532K88Confident84.8Confident114 Ų11454.9 Ų54.950%0.49627%0.266SS..Hα-helixtrans-60.1-44.4174.5-72.5169.7-178.1175.60112.6E1528 I1529 R1534 E1535 E1536E1528-K1532 WeakPolarHBondContact O-CG 3.22Å; E1528-K1532 PolarHBondContact O-N 3.04Å; E1528-K1532 VanDerWaalsContact O-N 3.11Å; I1529-K1532 PolarHBondContact O-N 3.1Å; K1532-R1534 VanDerWaalsContact C-N 3.34Å; K1532-R1534 PolarHBondContact O-N 3.11Å; K1532-E1535 PolarHBondContact O-N 3.06Å; K1532-E1536 PolarHBondContact O-N 3.22Å
1533C90.2Very high84.7Confident0 Ų053.4 Ų53.40%026%0.256CS..Hα-helixtrans-60.9-41.7176.6-165.30000112.1Y1501 Y1506 F1513 I1529 R1530 E1536 M1537Y1501-C1533 HydrophobicContact CD2-CB 4.1Å; Y1501-C1533 HydrophobicContact CE2-CB 4.38Å; Y1506-C1533 PolarHBondContact O-SG 3.47Å; Y1506-C1533 VanDerWaalsContact O-SG 3.35Å; F1513-C1533 HydrophobicContact CD2-CB 4.1Å; F1513-C1533 HydrophobicContact CE2-CB 4.06Å; I1529-C1533 WeakPolarHBondContact O-CB 3.44Å; I1529-C1533 PolarHBondContact O-N 2.82Å; R1530-C1533 PolarHBondContact O-N 3.21Å; C1533-E1536 PolarHBondContact O-N 2.86Å; C1533-M1537 VanDerWaalsContact O-CG 3.27Å; C1533-M1537 WeakPolarHBondContact O-CG 3.38Å; C1533-M1537 PolarHBondContact O-N 3.31Å
1534R88.1Confident83.9Confident28 Ų2859.4 Ų59.411%0.10629%0.288CS..Hα-helixtrans-71.1-33.1176.5-74.3171.2165.4-168-14.1112.9E1510 R1530 C1531 K1532 M1537 Y1538 N1548 V1549 D1552E1510-R1534 HydrophobicContact CG-CG 4.45Å; E1510-R1534 IonicContact OE1-CZ 3.15Å; E1510-R1534 IonicContact OE1-NE 2.72Å; E1510-R1534 PolarHBondContact OE1-NE 2.81Å; E1510-R1534 IonicContact OE1-NH2 2.72Å; E1510-R1534 PolarHBondContact OE1-NH2 3.44Å; R1530-R1534 HydrophobicContact CG-CG 4.43Å; R1530-R1534 WeakPolarHBondContact O-CB 3.4Å; R1530-R1534 WeakPolarHBondContact O-CG 3.45Å; R1530-R1534 PolarHBondContact O-N 2.81Å; C1531-R1534 PolarHBondContact O-N 3.02Å; K1532-R1534 VanDerWaalsContact C-N 3.34Å; K1532-R1534 PolarHBondContact O-N 3.11Å; R1534-M1537 PolarHBondContact O-N 3.35Å; R1534-Y1538 WeakPolarHBondContact O-CB 3.36Å; R1534-Y1538 PolarHBondContact O-N 3.06Å; R1534-N1548 PolarHBondContact NH1-O 2.81Å; R1534-V1549 HydrophobicContact CB-CG2 3.88Å; R1534-D1552 VanDerWaalsContact CD-OD2 3.24Å; R1534-D1552 WeakPolarHBondContact CD-OD2 3.43Å; R1534-D1552 IonicContact CZ-OD2 2.69Å; R1534-D1552 IonicContact NE-OD2 2.87Å; R1534-D1552 IonicContact NH1-OD1 3.13Å; R1534-D1552 PolarHBondContact NH1-OD1 3.4Å; R1534-D1552 VanDerWaalsContact NH1-OD1 3.13Å; R1534-D1552 IonicContact NH1-OD2 2.82Å; R1534-D1552 PolarHBondContact NH1-OD2 3.01Å
1535E87.8Confident83.6Confident59 Ų5958.9 Ų58.928%0.27629%0.291SS..Hα-helixtrans-64.6-45.9172.1-163.5-172.716400110.8C1531 K1532 M1537 Y1538 R1539 V1549C1531-E1535 WeakPolarHBondContact O-CB 3.33Å; C1531-E1535 PolarHBondContact O-N 3.36Å; K1532-E1535 PolarHBondContact O-N 3.06Å; E1535-M1537 VanDerWaalsContact C-N 3.35Å; E1535-M1537 PolarHBondContact O-N 3.41Å; E1535-Y1538 WeakPolarHBondContact O-CB 3.43Å; E1535-Y1538 PolarHBondContact O-N 3.48Å; E1535-Y1538 VanDerWaalsContact O-N 3.13Å; E1535-R1539 VanDerWaalsContact O-CG 3.29Å; E1535-R1539 WeakPolarHBondContact O-CG 3.29Å; E1535-R1539 PolarHBondContact O-N 2.94Å; E1535-R1539 IonicContact OE1-CZ 3.51Å; E1535-R1539 VanDerWaalsContact OE1-CZ 3.3Å; E1535-R1539 IonicContact OE1-NE 2.66Å; E1535-R1539 PolarHBondContact OE1-NE 3.07Å; E1535-R1539 IonicContact OE1-NH2 3.34Å; E1535-R1539 PolarHBondContact OE1-NH2 3.47Å; E1535-V1549 HydrophobicContact CB-CG1 4.28Å
1536E86.6Confident83.7Confident40 Ų4056.5 Ų56.519%0.18728%0.281CS..Hα-helixtrans-65.1-36173.3-67.4-54.6151.200112.6Y1501 Y1506 K1532 C1533 Y1538 R1539 T1540Y1501-E1536 HydrophobicContact CE2-CG 4.29Å; Y1506-E1536 HydrophobicContact CD1-CB 4.22Å; Y1506-E1536 HydrophobicContact CE1-CB 4.05Å; Y1506-E1536 HydrophobicContact CE1-CG 4.44Å; K1532-E1536 PolarHBondContact O-N 3.22Å; C1533-E1536 PolarHBondContact O-N 2.86Å; E1536-Y1538 VanDerWaalsContact C-N 3.29Å; E1536-Y1538 PolarHBondContact O-N 2.94Å; E1536-R1539 PolarHBondContact O-N 3.16Å; E1536-R1539 WeakPolarHBondContact OE1-CD 3.39Å; E1536-R1539 IonicContact OE1-CZ 3.2Å; E1536-R1539 IonicContact OE1-NE 3.85Å; E1536-R1539 IonicContact OE1-NH1 2.78Å; E1536-R1539 PolarHBondContact OE1-NH1 2.86Å; E1536-R1539 VanDerWaalsContact OE2-CD 3.29Å; E1536-R1539 WeakPolarHBondContact OE2-CD 3.49Å; E1536-R1539 IonicContact OE2-NH1 3.3Å; E1536-T1540 WeakPolarHBondContact O-CB 3.36Å; E1536-T1540 WeakPolarHBondContact O-CG2 3.49Å; E1536-T1540 PolarHBondContact O-N 2.88Å; E1536-T1540 PolarHBondContact O-OG1 3.47Å
1537M87Confident83.4Confident7 Ų763.4 Ų63.43%0.03431%0.313CS..Hα-helixtrans-65-30.3171.2-73.5174.362.500113.2Y1506 K1507 E1510 C1533 R1534 E1535 T1540 G1541 L1542 S1543Y1506-M1537 VanDerWaalsContact CB-CG 3.48Å; Y1506-M1537 HydrophobicContact CG-CG 4.43Å; K1507-M1537 HydrophobicContact CG-CE 3.98Å; E1510-M1537 HydrophobicContact CB-SD 3.96Å; E1510-M1537 VanDerWaalsContact OE2-CE 3.23Å; E1510-M1537 WeakPolarHBondContact OE2-CE 3.25Å; C1533-M1537 VanDerWaalsContact O-CG 3.27Å; C1533-M1537 WeakPolarHBondContact O-CG 3.38Å; C1533-M1537 PolarHBondContact O-N 3.31Å; R1534-M1537 PolarHBondContact O-N 3.35Å; E1535-M1537 VanDerWaalsContact C-N 3.35Å; E1535-M1537 PolarHBondContact O-N 3.41Å; M1537-T1540 WeakPolarHBondContact CA-OG1 3.35Å; M1537-G1541 PolarHBondContact O-N 2.94Å; M1537-L1542 HydrophobicContact CB-CB 4.04Å; M1537-L1542 HydrophobicContact CE-CB 4.42Å; M1537-L1542 HydrophobicContact CG-CB 4.19Å; M1537-L1542 HydrophobicContact CG-CD1 4.25Å; M1537-L1542 CarbonylContact O-C 3.58Å; M1537-L1542 WeakPolarHBondContact O-CA 3.26Å; M1537-L1542 WeakPolarHBondContact O-CB 3.47Å; M1537-L1542 PolarHBondContact O-N 3.21Å; M1537-S1543 PolarHBondContact O-N 3.4Å; M1537-S1543 VanDerWaalsContact O-N 3.07Å
1538Y85.5Confident83.2Confident109 Ų10965.3 Ų65.343%0.42733%0.325SS..Hα-helixtrans-74-46.8172.3-176.4-100.5000111R1534 E1535 E1536 T1540 G1541 Y1546R1534-Y1538 WeakPolarHBondContact O-CB 3.36Å; R1534-Y1538 PolarHBondContact O-N 3.06Å; E1535-Y1538 WeakPolarHBondContact O-CB 3.43Å; E1535-Y1538 PolarHBondContact O-N 3.48Å; E1535-Y1538 VanDerWaalsContact O-N 3.13Å; E1536-Y1538 VanDerWaalsContact C-N 3.29Å; E1536-Y1538 PolarHBondContact O-N 2.94Å; Y1538-T1540 VanDerWaalsContact C-N 3.27Å; Y1538-T1540 PolarHBondContact O-N 3.43Å; Y1538-G1541 PolarHBondContact O-N 3.36Å; Y1538-G1541 VanDerWaalsContact O-N 3.11Å; Y1538-Y1546 AromaticContact CD1-CD2 3.75Å; Y1538-Y1546 HydrophobicContact CD1-CD2 3.75Å; Y1538-Y1546 HydrophobicContact CD1-CE2 4.34Å; Y1538-Y1546 HydrophobicContact CD2-CD2 4.36Å; Y1538-Y1546 AromaticContact CE1-CD2 3.91Å; Y1538-Y1546 HydrophobicContact CE1-CD2 3.91Å; Y1538-Y1546 AromaticContact CG-CD2 3.98Å; Y1538-Y1546 HydrophobicContact CG-CD2 3.98Å
1539R83.9Confident83.1Confident154 Ų15462.6 Ų62.658%0.58131%0.313SS*.Hα-helixtrans-58.2-35.8176.2-68.9165.9178.5-158.7-2.2112.9E1535 E1536E1535-R1539 VanDerWaalsContact O-CG 3.29Å; E1535-R1539 WeakPolarHBondContact O-CG 3.29Å; E1535-R1539 PolarHBondContact O-N 2.94Å; E1535-R1539 IonicContact OE1-CZ 3.51Å; E1535-R1539 VanDerWaalsContact OE1-CZ 3.3Å; E1535-R1539 IonicContact OE1-NE 2.66Å; E1535-R1539 PolarHBondContact OE1-NE 3.07Å; E1535-R1539 IonicContact OE1-NH2 3.34Å; E1535-R1539 PolarHBondContact OE1-NH2 3.47Å; E1536-R1539 PolarHBondContact O-N 3.16Å; E1536-R1539 WeakPolarHBondContact OE1-CD 3.39Å; E1536-R1539 IonicContact OE1-CZ 3.2Å; E1536-R1539 IonicContact OE1-NE 3.85Å; E1536-R1539 IonicContact OE1-NH1 2.78Å; E1536-R1539 PolarHBondContact OE1-NH1 2.86Å; E1536-R1539 VanDerWaalsContact OE2-CD 3.29Å; E1536-R1539 WeakPolarHBondContact OE2-CD 3.49Å; E1536-R1539 IonicContact OE2-NH1 3.3Å
1540T81.7Confident83Confident70 Ų7064.8 Ų64.843%0.42932%0.324SS..THydrogen-bonded Turntrans-90.23179.154.80000114.4Y1506 E1536 M1537 Y1538 L1542Y1506-T1540 HydrophobicContact CE2-CG2 4.32Å; E1536-T1540 WeakPolarHBondContact O-CB 3.36Å; E1536-T1540 WeakPolarHBondContact O-CG2 3.49Å; E1536-T1540 PolarHBondContact O-N 2.88Å; E1536-T1540 PolarHBondContact O-OG1 3.47Å; M1537-T1540 WeakPolarHBondContact CA-OG1 3.35Å; Y1538-T1540 VanDerWaalsContact C-N 3.27Å; Y1538-T1540 PolarHBondContact O-N 3.43Å; T1540-L1542 VanDerWaalsContact C-N 3.27Å; T1540-L1542 PolarHBondContact O-N 3.02Å; T1540-L1542 WeakPolarHBondContact OG1-CD1 3.26Å; T1540-L1542 WeakPolarHBondContact OG1-CG 2.96Å
1541G79Confident82.8Confident57 Ų5766.1 Ų66.159%0.58834%0.336SS*.THydrogen-bonded Turntrans70.518.2179.600000114.9M1537 Y1538M1537-G1541 PolarHBondContact O-N 2.94Å; Y1538-G1541 PolarHBondContact O-N 3.36Å; Y1538-G1541 VanDerWaalsContact O-N 3.11Å
1542L74.9Confident82.6Confident72 Ų7265.5 Ų65.538%0.37733%0.332SS..SBendtrans-84.1-14.1177.1-61.3175.9000113.5Y1506 M1537 T1540Y1506-L1542 HydrophobicContact CD2-CD1 4.23Å; M1537-L1542 HydrophobicContact CB-CB 4.04Å; M1537-L1542 HydrophobicContact CE-CB 4.42Å; M1537-L1542 HydrophobicContact CG-CB 4.19Å; M1537-L1542 HydrophobicContact CG-CD1 4.25Å; M1537-L1542 CarbonylContact O-C 3.58Å; M1537-L1542 WeakPolarHBondContact O-CA 3.26Å; M1537-L1542 WeakPolarHBondContact O-CB 3.47Å; M1537-L1542 PolarHBondContact O-N 3.21Å; T1540-L1542 VanDerWaalsContact C-N 3.27Å; T1540-L1542 PolarHBondContact O-N 3.02Å; T1540-L1542 WeakPolarHBondContact OG1-CD1 3.26Å; T1540-L1542 WeakPolarHBondContact OG1-CG 2.96Å
1543S73.3Confident82.4Confident24 Ų2466.4 Ų66.417%0.16833%0.333CS..  trans-145143.2171.683.40000112.4M1537M1537-S1543 PolarHBondContact O-N 3.4Å; M1537-S1543 VanDerWaalsContact O-N 3.07Å
1544N65.2Low82.1Confident157 Ų15774.2 Ų74.284%0.8436%0.362SS*.SBendtrans-93.3-8.5-175.8-66.8-1.5000114.1
1545S75.7Confident81.9Confident41 Ų4175.9 Ų75.929%0.28737%0.373SS..  trans-113.887.2-165.256.40000112.2E1547 N1548S1545-E1547 PolarHBondContact O-N 3Å; S1545-E1547 VanDerWaalsContact O-N 3.11Å; S1545-N1548 WeakPolarHBondContact O-CB 3.31Å; S1545-N1548 PolarHBondContact O-N 3.27Å; S1545-N1548 PolarHBondContact OG-ND2 3.27Å; S1545-N1548 VanDerWaalsContact OG-ND2 3.15Å
1546Y84.7Confident81.6Confident98 Ų9873.3 Ų73.338%0.38436%0.362SS..THydrogen-bonded Turntrans-58.9-20.3173-165.9-103.3000112.7Y1538 N1548 V1549 L1550Y1538-Y1546 AromaticContact CD1-CD2 3.75Å; Y1538-Y1546 HydrophobicContact CD1-CD2 3.75Å; Y1538-Y1546 HydrophobicContact CD1-CE2 4.34Å; Y1538-Y1546 HydrophobicContact CD2-CD2 4.36Å; Y1538-Y1546 AromaticContact CE1-CD2 3.91Å; Y1538-Y1546 HydrophobicContact CE1-CD2 3.91Å; Y1538-Y1546 AromaticContact CG-CD2 3.98Å; Y1538-Y1546 HydrophobicContact CG-CD2 3.98Å; Y1546-N1548 PolarHBondContact O-N 2.96Å; Y1546-V1549 HydrophobicContact CD2-CB 4.28Å; Y1546-V1549 HydrophobicContact CD2-CG2 4.04Å; Y1546-V1549 HydrophobicContact CE2-CB 4.27Å; Y1546-V1549 HydrophobicContact CE2-CG1 4.29Å; Y1546-V1549 HydrophobicContact CE2-CG2 4.29Å; Y1546-V1549 WeakPolarHBondContact O-CB 3.33Å; Y1546-V1549 PolarHBondContact O-N 2.94Å; Y1546-L1550 HydrophobicContact CD1-CD1 3.9Å; Y1546-L1550 HydrophobicContact CD1-CD2 4.49Å; Y1546-L1550 HydrophobicContact CD1-CG 3.91Å; Y1546-L1550 HydrophobicContact CE1-CD1 4.15Å; Y1546-L1550 HydrophobicContact CE1-CD2 3.96Å; Y1546-L1550 HydrophobicContact CE1-CG 3.88Å; Y1546-L1550 PolarHBondContact O-N 3.25Å; Y1546-L1550 VanDerWaalsContact O-N 3.11Å
1547E82.3Confident81.2Confident148 Ų14875.7 Ų75.769%0.69238%0.375SS*.Hα-helixtrans-52.2-36.3168.9-62.2-169.9131.200113S1545 V1549 L1550 T1551S1545-E1547 PolarHBondContact O-N 3Å; S1545-E1547 VanDerWaalsContact O-N 3.11Å; E1547-V1549 VanDerWaalsContact C-N 3.29Å; E1547-V1549 PolarHBondContact O-N 3.03Å; E1547-L1550 CarbonylContact O-C 3.59Å; E1547-L1550 PolarHBondContact O-N 3Å; E1547-T1551 WeakPolarHBondContact O-CG2 3.26Å; E1547-T1551 PolarHBondContact O-N 2.92Å; E1547-T1551 PolarHBondContact O-OG1 3.11Å
1548N82.8Confident80.5Confident65 Ų6580.7 Ų80.735%0.34840%0.401SS..Hα-helixtrans-69.3-26.5178.6-74.5-11.1000113.1R1534 S1545 Y1546 T1551 D1552R1534-N1548 PolarHBondContact NH1-O 2.81Å; S1545-N1548 WeakPolarHBondContact O-CB 3.31Å; S1545-N1548 PolarHBondContact O-N 3.27Å; S1545-N1548 PolarHBondContact OG-ND2 3.27Å; S1545-N1548 VanDerWaalsContact OG-ND2 3.15Å; Y1546-N1548 PolarHBondContact O-N 2.96Å; N1548-T1551 WeakPolarHBondContact CA-OG1 3.29Å; N1548-T1551 PolarHBondContact O-OG1 2.94Å; N1548-T1551 VanDerWaalsContact O-OG1 3.06Å; N1548-D1552 PolarHBondContact O-N 3.1Å
1549V84Confident79.6Confident5 Ų575.9 Ų75.93%0.0338%0.384CS..Hα-helixtrans-72-47.3170.9-172.70000108.7C1531 R1534 E1535 Y1546 E1547 T1551 D1552 Y1553C1531-V1549 VanDerWaalsContact SG-CG1 3.54Å; R1534-V1549 HydrophobicContact CB-CG2 3.88Å; E1535-V1549 HydrophobicContact CB-CG1 4.28Å; Y1546-V1549 HydrophobicContact CD2-CB 4.28Å; Y1546-V1549 HydrophobicContact CD2-CG2 4.04Å; Y1546-V1549 HydrophobicContact CE2-CB 4.27Å; Y1546-V1549 HydrophobicContact CE2-CG1 4.29Å; Y1546-V1549 HydrophobicContact CE2-CG2 4.29Å; Y1546-V1549 WeakPolarHBondContact O-CB 3.33Å; Y1546-V1549 PolarHBondContact O-N 2.94Å; E1547-V1549 VanDerWaalsContact C-N 3.29Å; E1547-V1549 PolarHBondContact O-N 3.03Å; V1549-T1551 PolarHBondContact O-N 3.45Å; V1549-D1552 PolarHBondContact O-N 3.39Å; V1549-Y1553 WeakPolarHBondContact O-CB 3.49Å; V1549-Y1553 PolarHBondContact O-N 2.92Å
1550L84.7Confident78.3Confident70 Ų7071 Ų7137%0.36637%0.37SS..Hα-helixtrans-64.8-33.7178.7-66.6174.1000113.4Y1546 E1547 R1554Y1546-L1550 HydrophobicContact CD1-CD1 3.9Å; Y1546-L1550 HydrophobicContact CD1-CD2 4.49Å; Y1546-L1550 HydrophobicContact CD1-CG 3.91Å; Y1546-L1550 HydrophobicContact CE1-CD1 4.15Å; Y1546-L1550 HydrophobicContact CE1-CD2 3.96Å; Y1546-L1550 HydrophobicContact CE1-CG 3.88Å; Y1546-L1550 PolarHBondContact O-N 3.25Å; Y1546-L1550 VanDerWaalsContact O-N 3.11Å; E1547-L1550 CarbonylContact O-C 3.59Å; E1547-L1550 PolarHBondContact O-N 3Å; L1550-R1554 WeakPolarHBondContact O-CG 3.33Å; L1550-R1554 PolarHBondContact O-N 3.34Å; L1550-R1554 WeakPolarHBondContact O-CD 3.36Å; L1550-R1554 WeakPolarHBondContact O-CB 3.21Å
1551T84.3Confident76.9Confident57 Ų5774.3 Ų74.335%0.3539%0.385SS..Hα-helixtrans-68.5-41.9173.552.50000111.6E1547 N1548 V1549 R1554 L1555E1547-T1551 WeakPolarHBondContact O-CG2 3.26Å; E1547-T1551 PolarHBondContact O-N 2.92Å; E1547-T1551 PolarHBondContact O-OG1 3.11Å; N1548-T1551 WeakPolarHBondContact CA-OG1 3.29Å; N1548-T1551 PolarHBondContact O-OG1 2.94Å; N1548-T1551 VanDerWaalsContact O-OG1 3.06Å; V1549-T1551 PolarHBondContact O-N 3.45Å; T1551-R1554 PolarHBondContact O-N 2.94Å; T1551-L1555 WeakPolarHBondContact O-CB 3.22Å; T1551-L1555 VanDerWaalsContact O-CG 3.22Å; T1551-L1555 WeakPolarHBondContact O-CG 3.33Å; T1551-L1555 PolarHBondContact O-N 3.24Å
1552D84.3Confident75.4Confident1 Ų176.5 Ų76.51%0.00539%0.387CS..Hα-helixtrans-69.6-35.9178.5-74.6-6.4000111.9Y1527 R1530 C1531 R1534 N1548 V1549 L1555 S1556Y1527-D1552 HydrophobicContact CD1-CB 4.5Å; R1530-D1552 WeakPolarHBondContact CG-OD2 3.29Å; R1530-D1552 IonicContact CZ-OD1 3.7Å; R1530-D1552 IonicContact CZ-OD2 3.56Å; R1530-D1552 IonicContact NE-OD1 3.8Å; R1530-D1552 PolarHBondContact NE-OD1 2.89Å; R1530-D1552 IonicContact NE-OD2 3.08Å; R1530-D1552 PolarHBondContact NE-OD2 2.99Å; R1530-D1552 IonicContact NH2-OD1 2.79Å; R1530-D1552 PolarHBondContact NH2-OD1 3.47Å; R1530-D1552 IonicContact NH2-OD2 3.88Å; C1531-D1552 HydrophobicContact CB-CB 3.91Å; R1534-D1552 VanDerWaalsContact CD-OD2 3.24Å; R1534-D1552 WeakPolarHBondContact CD-OD2 3.43Å; R1534-D1552 IonicContact CZ-OD2 2.69Å; R1534-D1552 IonicContact NE-OD2 2.87Å; R1534-D1552 IonicContact NH1-OD1 3.13Å; R1534-D1552 PolarHBondContact NH1-OD1 3.4Å; R1534-D1552 VanDerWaalsContact NH1-OD1 3.13Å; R1534-D1552 IonicContact NH1-OD2 2.82Å; R1534-D1552 PolarHBondContact NH1-OD2 3.01Å; N1548-D1552 PolarHBondContact O-N 3.1Å; V1549-D1552 PolarHBondContact O-N 3.39Å; D1552-L1555 PolarHBondContact O-N 2.73Å; D1552-S1556 PolarHBondContact O-N 2.8Å; D1552-S1556 PolarHBondContact O-OG 3.36Å
1553Y84.9Confident73.6Confident132 Ų13276 Ų7652%0.51839%0.387SS..Hα-helixtrans-64.9-38.6171.7-170.7-99.6000112.4V1549 S1556 L1557V1549-Y1553 WeakPolarHBondContact O-CB 3.49Å; V1549-Y1553 PolarHBondContact O-N 2.92Å; Y1553-S1556 PolarHBondContact O-OG 3.29Å; Y1553-S1556 VanDerWaalsContact O-OG 3.04Å; Y1553-L1557 HydrophobicContact CE1-CG 4.43Å; Y1553-L1557 VanDerWaalsContact O-N 3.17Å; Y1553-L1557 PolarHBondContact O-N 3.42Å; Y1553-L1557 WeakPolarHBondContact O-CG 3.23Å; Y1553-L1557 HydrophobicContact CE1-CD1 3.61Å; Y1553-L1557 HydrophobicContact CD1-CD1 3.93Å; Y1553-L1557 VanDerWaalsContact O-CG 3.31Å
1554R83.7Confident71.8Confident164 Ų16482.1 Ų82.162%0.61942%0.416SS*.Hα-helixtrans-67.3-38.1172.2-74.3168.3-178.5176.92.1112L1550 T1551 L1557 L1558L1550-R1554 WeakPolarHBondContact O-CG 3.33Å; L1550-R1554 PolarHBondContact O-N 3.34Å; L1550-R1554 WeakPolarHBondContact O-CD 3.36Å; L1550-R1554 WeakPolarHBondContact O-CB 3.21Å; T1551-R1554 PolarHBondContact O-N 2.94Å; R1554-L1557 PolarHBondContact O-N 3.17Å; R1554-L1558 WeakPolarHBondContact O-CB 3.16Å; R1554-L1558 VanDerWaalsContact O-CG 3.31Å; R1554-L1558 WeakPolarHBondContact O-CG 3.36Å; R1554-L1558 PolarHBondContact O-N 3.4Å
1555L83.2Confident69.9Low63 Ų6386.7 Ų86.733%0.3343%0.432SS..Hα-helixtrans-72.8-35.3178.8-70.7166.5000112.4Y1527 T1551 D1552 L1557 L1558 A1559Y1527-L1555 HydrophobicContact CD1-CB 3.71Å; Y1527-L1555 HydrophobicContact CD1-CD1 4.21Å; Y1527-L1555 HydrophobicContact CD2-CB 4.22Å; Y1527-L1555 HydrophobicContact CE1-CB 3.65Å; Y1527-L1555 HydrophobicContact CE1-CD1 3.59Å; Y1527-L1555 HydrophobicContact CE1-CG 4.19Å; Y1527-L1555 HydrophobicContact CE2-CB 4.15Å; Y1527-L1555 HydrophobicContact CG-CB 4Å; T1551-L1555 WeakPolarHBondContact O-CB 3.22Å; T1551-L1555 VanDerWaalsContact O-CG 3.22Å; T1551-L1555 WeakPolarHBondContact O-CG 3.33Å; T1551-L1555 PolarHBondContact O-N 3.24Å; D1552-L1555 PolarHBondContact O-N 2.73Å; L1555-L1557 VanDerWaalsContact C-N 3.3Å; L1555-L1557 PolarHBondContact O-N 2.77Å; L1555-L1558 PolarHBondContact O-N 3.01Å; L1555-A1559 VanDerWaalsContact O-CB 3.28Å; L1555-A1559 WeakPolarHBondContact O-CB 3.45Å; L1555-A1559 PolarHBondContact O-N 2.73Å
1556S81.4Confident69.6Low5 Ų589 Ų894%0.03544%0.439CS..Hα-helixtrans-68.3-29.8171.971.50000112.6D1552 Y1553 N1560D1552-S1556 PolarHBondContact O-N 2.8Å; D1552-S1556 PolarHBondContact O-OG 3.36Å; Y1553-S1556 PolarHBondContact O-OG 3.29Å; Y1553-S1556 VanDerWaalsContact O-OG 3.04Å; S1556-N1560 PolarHBondContact O-ND2 3.16Å
1557L79.2Confident68.8Low91 Ų9188.5 Ų88.548%0.47644%0.442SS..Hα-helixtrans-70.1-48.9169.9-73.9171.4000111.9Y1553 R1554 L1555 A1559 N1560Y1553-L1557 HydrophobicContact CE1-CG 4.43Å; Y1553-L1557 VanDerWaalsContact O-N 3.17Å; Y1553-L1557 PolarHBondContact O-N 3.42Å; Y1553-L1557 WeakPolarHBondContact O-CG 3.23Å; Y1553-L1557 HydrophobicContact CE1-CD1 3.61Å; Y1553-L1557 HydrophobicContact CD1-CD1 3.93Å; Y1553-L1557 VanDerWaalsContact O-CG 3.31Å; R1554-L1557 PolarHBondContact O-N 3.17Å; L1555-L1557 VanDerWaalsContact C-N 3.3Å; L1555-L1557 PolarHBondContact O-N 2.77Å; L1557-A1559 VanDerWaalsContact C-N 3.28Å; L1557-A1559 PolarHBondContact O-N 3.12Å; L1557-N1560 WeakPolarHBondContact CA-ND2 2.95Å; L1557-N1560 PolarHBondContact O-N 2.8Å; L1557-N1560 PolarHBondContact O-ND2 3.3Å
1558L72Confident68.1Low111 Ų11185.2 Ų85.258%0.58143%0.428SS*.Hα-helixtrans-64.6-29.7178-72.1166.2000113.3R1554 L1555 N1560 D1561R1554-L1558 WeakPolarHBondContact O-CB 3.16Å; R1554-L1558 VanDerWaalsContact O-CG 3.31Å; R1554-L1558 WeakPolarHBondContact O-CG 3.36Å; R1554-L1558 PolarHBondContact O-N 3.4Å; L1555-L1558 PolarHBondContact O-N 3.01Å; L1558-N1560 PolarHBondContact O-N 3.39Å; L1558-D1561 PolarHBondContact O-N 3.28Å
1559A66.3Low67.2Low8 Ų886.4 Ų86.47%0.06643%0.433CS..G310 helixtrans-62.6-27.1178.300000113.6K1524 L1555 L1557 D1561 V1562 T1563K1524-A1559 HydrophobicContact CB-CB 3.86Å; L1555-A1559 VanDerWaalsContact O-CB 3.28Å; L1555-A1559 WeakPolarHBondContact O-CB 3.45Å; L1555-A1559 PolarHBondContact O-N 2.73Å; L1557-A1559 VanDerWaalsContact C-N 3.28Å; L1557-A1559 PolarHBondContact O-N 3.12Å; A1559-D1561 PolarHBondContact O-N 2.69Å; A1559-V1562 PolarHBondContact O-N 2.99Å; A1559-V1562 VanDerWaalsContact O-N 3.15Å; A1559-T1563 PolarHBondContact O-N 3.37Å; A1559-T1563 PolarHBondContact O-OG1 3.37Å
1560N56.9Low66.2Low51 Ų5191.4 Ų91.427%0.27346%0.458SS..G310 helixtrans-57-36.3-178.8-65.7-77.4000112.7K1524 S1556 L1557 L1558 V1562K1524-N1560 VanDerWaalsContact CD-OD1 3.27Å; K1524-N1560 WeakPolarHBondContact CD-OD1 3.27Å; K1524-N1560 WeakPolarHBondContact CE-OD1 3.31Å; K1524-N1560 PolarHBondContact NZ-OD1 2.83Å; S1556-N1560 PolarHBondContact O-ND2 3.16Å; L1557-N1560 WeakPolarHBondContact CA-ND2 2.95Å; L1557-N1560 PolarHBondContact O-N 2.8Å; L1557-N1560 PolarHBondContact O-ND2 3.3Å; L1558-N1560 PolarHBondContact O-N 3.39Å; N1560-V1562 PolarHBondContact O-N 3.39Å
1561D52.2Low64.9Low141 Ų14192.9 Ų92.975%0.75447%0.465SS*.G310 helixtrans-74.5-11.9-174.9-64.6-21.2000113.1L1558 A1559L1558-D1561 PolarHBondContact O-N 3.28Å; A1559-D1561 PolarHBondContact O-N 2.69Å
1562V47.4Very low63.6Low103 Ų10395.4 Ų95.462%0.62447%0.473SS*.THydrogen-bonded Turntrans-110.1-24.7-176.2-1730000112.3A1559 N1560 I1564A1559-V1562 PolarHBondContact O-N 2.99Å; A1559-V1562 VanDerWaalsContact O-N 3.15Å; N1560-V1562 PolarHBondContact O-N 3.39Å; V1562-I1564 PolarHBondContact O-N 2.93Å
1563T37.6Very low62Low62 Ų62102.7 Ų102.738%0.3851%0.509SS..THydrogen-bonded Turntrans-95.639.4-172.261.10000114.6S1522 A1559S1522-T1563 WeakPolarHBondContact O-CG2 3.32Å; A1559-T1563 PolarHBondContact O-N 3.37Å; A1559-T1563 PolarHBondContact O-OG1 3.37Å
1564I34.1Very low60.1Low151 Ų151100.3 Ų100.377%0.77451%0.508SS*.THydrogen-bonded Turntrans-108.68.4175.4-59.6177.6000111.1V1562V1562-I1564 PolarHBondContact O-N 2.93Å
1565Q26.7Very low57.9Low253 Ų25394.5 Ų94.5100%1.18250%0.498SS*.  trans-1260168.9-66.9-174-5.200110.4

Retrieved 1,565 of 1,565 residues in 591.8 ms (Link to these results)