A0A5K4F0I8_SCHMA Loading...

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AlphaFold DB , UniProt , Accession A0A5K4F0I8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,949 aa.

>A0A5K4F0I8_SCHMA|A0A5K4F0I8
MSSHHSLSPRKSCCNQSHPNIRSHEHSCNSEIIGVSTSSEINSSHNSEPEVIEDKPPSPLSLQQDGVFSLVQSPPFENDQLDSVSPENQLSNLLIHSNNQTLINLSGINSTVTDQKREHVPITNARNPNLQNMTSSERANSVSGDVSNPNCPDVVKSFRKPKYSPRDSVSQQPITDSVAASTIGSSDPVFSLTARETNLSLIASRKSVKELYGQPSWWGDGDSGYSYPHTSSFGNQETVHPVVASRKYSMKADINLTSEENSTRPPAEAFVIDFGSSKPRLERPASLSGSLSQCVPLKLRQGLDERERRIKEKQLEVKKQSTSGMVNKNTVTTMSNSKFSTTTTKSRTNMNEIQKTHSRGASLSAKGSTVRTNTATSNITSNVTATTTTTTSGRSSSTTINKKPQVTMTKLDKRITSKPDSSLRTGRVDCATNLTSNSTNASRSNLTDRSRGRLFSQTNNKATVKHRGVNRSFMTPTTSSDAKQVKTRESIRSMPNESPISSSPKCDSRRTYESPIGNSAKKPITSTFLRRGTAQGRIGIGRKLSTDNINQYSNSNKSSSCISDRIASVVSTIEAYDDPKAYLFYRMFQGVEEIETTTTDGIFQAFSPYSSVDFQKQFSPEFNDTNEQLNYHLHSYGIDETFPKFQTNSNVQNKYSGMLLSVDDEETPYQDLPSHHSDLTTISTSNSRTLATKTPVYLSKCYKNEIPTSQTQNIVKSSTVSNSKVHCTTNENDDATMDPTLKSMNLSMFVSTSVTSLAPSQTGTYVIDGGDGIDDDNDDNNNNTNQDFLQHSDEQNIHLYKDNDLITPRGSPKRDITAEGELLNRRSTNHLSNNQQTKQLPQFEKDFENSMLPVEHVQTLTAHHQYSGNKRLNDSISTVDLTKTPSNEKPLCITSSTVCLTETHDNKLQDSKNKKDVLSHLIDNLEDSDHVGISLTSLTPSHTGTYILDIDDTLIAQGVLPVIIRSHETLASSVTTIDSGLNIESAMNTHGVIVENITPRGSPISKETLWHIVENDNDDESRDNNDLVLVTSNQSGRPYNVSFDNCNNELSGQFTMESLRAEFEDTYKSLPSPNQFLGGADSSDNSMNIVESSTLQSESRKSQMKTMNAHPVQGKESNRTIPSVNTSNITLQHINYFVKPKSINCTEVSISNHLQNDLITKQNMINNTYTHKDEKYSSVHIPPNDGVSLPTTVSLKLPDSSSSKSSSSNSPSTSSSCSNHILKYNREVTDGLDLNNQNIEHFNLMHNLNNKNNNNMNEHHLAYNSYTGRRYSDNYEHSKFLSHNNSNLIPSTTGNPLYNVSETIGNHCHITISKRQDNTTITNLQSINNNSNCTKITSTTPFSLSYHDPNTMNQLLTRLNSMPATHYSRPDQSRNMIRTHSCSRGKSRYYSHGSASVPDPASPVRSWSSISSGTEHSLTNRIICKSRKQLNDQTDSGFIETRYLMKTLNTNKPLPQGSSSTYLENKSDHFLNSYDYNRTTNLSQYNEDIKFKKSNEIDSRTYTRRKHSRSNDQDDPQKYLTTLDAESYQTWVARMSELAQGLNSLAKEPLFQSDGSCSEENKNEFQPINRLYPDVKTINLPLINDNLQTMPTLPDSTTDPGLSEIVECSAFTTPLPHRTLETMLSVAPENLSNYQKFPLNNTKKLNLPTVQNGRDEKFTDFILSPQSFQLSSNFDPDSSDPNESAIYYSLMVDTIRYLSIKLRQFSDKLAYRLSYNQQQANASGSNTTELSSRYVSIQQNRDDVQSSTKYALHDTFENMKAVNQQLQVVGKLLFSKNNDNITNELNQIDNATSCEYLHKLEQFNQELYRFIPIEPANIHHHPNINTTISTTNKFIQIPNTNLQSVLTDEQHSNFVNKSTSVSTNQVMMNTTSALNTHFTTDDNTNTINNNSSTSRPLSHPFTSKSTTSTTTNTTTVTTVHSSNIHVISLTGKSNDNMINKQELLEDEYY
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low35.3Very low243 Ų243151.1 Ų151.1100%1.19780%0.796SS**  01430-61.8171.482.800106.9
2S35.7Very low35.2Very low116 Ų116149.1 Ų149.181%0.81180%0.803SS**  trans-54.8131.1-156.6-47.10000114.5
3S35.1Very low35Very low92 Ų92145.8 Ų145.864%0.64380%0.797SS**  cis79.6130.437.778.10000114.9
4H38.8Very low34.9Very low163 Ų163143.4 Ų143.476%0.75579%0.794SS**  cis-162.3143.7-17-108-71.6000107.4
5H38.5Very low34.7Very low166 Ų166142.5 Ų142.577%0.76979%0.787SS**  trans31.2159.8134.4-68.9-120.9000123.1
6S31.9Very low34.6Very low82 Ų82144.4 Ų144.457%0.57379%0.789SS**  cis173.6154.3-26.261.10000109.9
7L35.5Very low34.8Very low160 Ų160143 Ų14384%0.83879%0.792SS**  trans70.9147.6163.7-58.6165.2000116.4
8S30Very low34.8Very low108 Ų108145.4 Ų145.476%0.75580%0.796SS**  cis106.3163.133.1-107.60000113.5
9P41.5Very low35.3Very low107 Ų107143.4 Ų143.470%0.69579%0.79SS**  -133.5-177.8-125.743.2-26.1000117.2
10R33.4Very low35.3Very low227 Ų227143.4 Ų143.486%0.85779%0.789SS**  trans66131.4155-88.1-178.9166.4-174.5-3.1119.3
11K33.2Very low35.6Very low198 Ų198143.6 Ų143.686%0.86179%0.788SS**  trans64.7123.1159.8-57.8176.4176.6-174.70117.7
12S33.8Very low35.9Very low127 Ų127143 Ų14389%0.88877%0.772SS**  -165.2173.8129.1-156.40000111.7
13C33.5Very low36.2Very low107 Ų107141.3 Ų141.372%0.72376%0.76SS**  trans-90.6149.4-164.3-58.50000115.6
14C32.6Very low36.4Very low112 Ų112144.3 Ų144.376%0.75776%0.764SS**  56.6146.4129.2-60.70000124
15N32.8Very low36.5Very low129 Ų129142.9 Ų142.969%0.6976%0.757SS**  trans91.5112.4146.1-67.3-5.4000121.8
16Q33.2Very low36.7Very low174 Ų174142.5 Ų142.581%0.81376%0.755SS**  65.2103.5124-62.2172.9-14.800120.5
17S36.9Very low37Very low120 Ų120143.5 Ų143.584%0.83976%0.762SS**  trans-158.7112.613659.90000113
18H36.2Very low37.1Very low187 Ų187141 Ų14187%0.86676%0.758SS**  trans-66.6169.8151.7-86.6-62.2000109.6
19P44Very low37.3Very low106 Ų106142 Ų14269%0.68875%0.754SS**  cis-151.5-179.736.144.1-22.8000119.5
20N35.2Very low36.9Very low143 Ų143140.8 Ų140.877%0.76575%0.748SS**  trans20.5146.8143.6-59.6-26000122
21I41.1Very low36.8Very low148 Ų148138 Ų13876%0.75975%0.745SS**  178.8125.1105-92.5160.5000112.3
22R40.3Very low36.9Very low232 Ų232135.2 Ų135.288%0.87574%0.738SS**  trans61.3154.4154.6-74.3-179.8177.4169.3-1.9120
23S42Very low36.9Very low79 Ų79136.9 Ų136.955%0.55274%0.735SS**  cis-176.6158.2-15.451.80000113.4
24H39.9Very low36.7Very low155 Ų155135.4 Ų135.472%0.71874%0.738SS**  trans66.7141.3157.3-66.8-68.5000116.9
25E41.2Very low36.6Very low134 Ų134136.3 Ų136.363%0.62674%0.74SS**  cis-162166.7-8-140.2154.1-153.900114.3
26H43.8Very low36.4Very low157 Ų157135 Ų13573%0.72774%0.741SS**  trans63.7132.8163.9-60.1-52.6000119.3
27S36.2Very low36.2Very low103 Ų103132.8 Ų132.872%0.7274%0.74SS**  cis91.1134.234174.80000113.1
28C38.3Very low35.9Very low109 Ų109131.6 Ų131.674%0.73673%0.731SS**  cis-172.8-176.8-16.6-107.60000107.3
29N35.4Very low35.6Very low128 Ų128126.9 Ų126.968%0.68472%0.719SS**  cis-157.9163.72.7-140.685.3000110
30S31.3Very low35Very low81 Ų81128.9 Ų128.957%0.56672%0.719SS**  trans64.2139.9151.8-75.60000121.1
31E32.4Very low35Very low170 Ų170125.3 Ų125.379%0.79470%0.699SS**  76.1136.764.5-130.1-176.6164.500111.1
32I35.3Very low34.7Very low139 Ų139120.2 Ų120.271%0.71367%0.674SS**  cis-150.6158.738.9-71.4167.9000112.3
33I33.1Very low34.4Very low161 Ų161112.8 Ų112.883%0.82666%0.658SS**  trans-29.6145.7161.1-54.4151.4000116.7
34G30.2Very low34Very low76 Ų76110.8 Ų110.878%0.78464%0.643SS**  trans-169.3125.3162.500000115.2
35V31Very low33.9Very low131 Ų131111.1 Ų111.179%0.79465%0.645SS**  trans-101.9158.4178.4-169.10000109.9
36S27.9Very low33.7Very low103 Ų103111.1 Ų111.172%0.7265%0.649SS**  trans75.9154.8169.5-49.50000114.8
37T28.7Very low33.2Very low127 Ų127108 Ų10878%0.77965%0.645SS**  cis-146.5-172.93.9-17.90000110.5
38S30.2Very low33.2Very low95 Ų95111.8 Ų111.866%0.66465%0.651SS**  trans-44.9171.2152.462.80000112.6
39S30.1Very low33.4Very low87 Ų87110.1 Ų110.161%0.60864%0.639SS**  cis-171.6161.331.5-14.70000109.6
40E32.6Very low33.3Very low149 Ų149106.6 Ų106.670%0.69662%0.619SS**  trans69.7152.2144-73.1-153127.800114.9K1857E40-K1857 IonicContact OE1-NZ 2.65Å; E40-K1857 PolarHBondContact OE1-NZ 3.16Å
41I33.8Very low33.8Very low67 Ų67105.2 Ų105.234%0.34461%0.607SS.*  cis-162.3152.66.5-128.5-176.1000111.3F1854I41-F1854 HydrophobicContact CG2-CE1 4.42Å; I41-F1854 WeakPolarHBondContact O-CE2 3.15Å; I41-F1854 VanDerWaalsContact O-CZ 3.3Å; I41-F1854 WeakPolarHBondContact O-CZ 3.37Å
42N34.7Very low34Very low41 Ų41103.5 Ų103.522%0.21960%0.602CS.*  trans80.4120.9140.4-7225.8000121.7F1854 V1855 N1856N42-F1854 WeakPolarHBondContact O-CA 3.27Å; N42-F1854 WeakPolarHBondContact O-CD2 3.46Å; N42-F1854 WeakPolarHBondContact O-CG 3.29Å; N42-V1855 HydrophobicContact CB-CB 4.27Å; N42-V1855 HydrophobicContact CB-CG2 3.82Å; N42-V1855 WeakPolarHBondContact CB-O 3.26Å; N42-V1855 VanDerWaalsContact CG-O 3.25Å; N42-V1855 WeakPolarHBondContact ND2-CG2 3.37Å; N42-V1855 PolarHBondContact ND2-O 3.47Å; N42-N1856 VanDerWaalsContact CA-CB 3.44Å; N42-N1856 HydrophobicContact CB-CB 3.64Å; N42-N1856 PolarHBondContact N-ND2 3.13Å; N42-N1856 WeakPolarHBondContact OD1-CB 3.22Å; N42-N1856 VanDerWaalsContact OD1-CG 3.26Å; N42-N1856 PolarHBondContact OD1-ND2 3.42Å
43S34.3Very low34.3Very low77 Ų77101.7 Ų101.754%0.53859%0.59SS.*  trans-69.7-103.3-167.648.10000122.8F1854 V1855 N1856S43-F1854 CarbonylContact C-O 3.57Å; S43-F1854 CarbonylContact O-C 3.24Å; S43-F1854 WeakPolarHBondContact O-CA 3.23Å; S43-V1855 PolarHBondContact O-N 3.25Å; S43-N1856 VanDerWaalsContact OG-CA 3.28Å; S43-N1856 WeakPolarHBondContact OG-CA 3.37Å; S43-N1856 PolarHBondContact OG-N 3.01Å
44S34.3Very low34.7Very low36 Ų36100.9 Ų100.925%0.25259%0.588SS.*  cis-163.6147.6-11.764.20000113F1854 V1855S44-F1854 PolarHBondContact N-O 3.45Å; S44-F1854 PolarHBondContact OG-O 3.05Å; S44-V1855 VanDerWaalsContact N-N 3.11Å; S44-V1855 PolarHBondContact OG-N 2.7Å
45H38.2Very low35.1Very low163 Ų163103.6 Ų103.676%0.75558%0.578SS**  trans70.1136.7162.8-58.2-61.4000120.1
46N35.1Very low35.8Very low133 Ų133102.9 Ų102.971%0.71158%0.576SS**  cis-157.5148.66-124.111.3000114.3
47S33.9Very low36.3Very low92 Ų92103.6 Ų103.664%0.64358%0.578SS**  trans51.9136.9145.159.10000122.7
48E37.4Very low36.6Very low182 Ų182102.6 Ų102.685%0.8558%0.576SS**  cis-153.6-159.9-8.9-124.1-174.4127.200111.8
49P40.9Very low36.9Very low75 Ų75104.1 Ų104.149%0.48758%0.584SS.*  trans-83.4174.2-15636.1-31000114.3
50E35Very low37Very low54 Ų54107.7 Ų107.725%0.25260%0.596SS.*  -179.6173.781.6-82.8-160.9118.200113.7T736 M737 D738E50-T736 HydrophobicContact CB-CG2 4.03Å; E50-T736 HydrophobicContact CG-CG2 4.17Å; E50-T736 WeakPolarHBondContact OE2-CB 3.46Å; E50-T736 WeakPolarHBondContact OE2-CG2 3.07Å; E50-M737 WeakPolarHBondContact OE1-CE 3.21Å; E50-M737 WeakPolarHBondContact OE2-CA 3.3Å; E50-M737 PolarHBondContact OE2-N 2.68Å; E50-D738 HydrophobicContact CB-CB 3.7Å; E50-D738 VanDerWaalsContact CD-N 3.26Å; E50-D738 HydrophobicContact CG-CB 4.13Å; E50-D738 PolarHBondContact OE1-N 3.02Å; E50-D738 WeakPolarHBondContact OE2-CB 3.4Å; E50-D738 PolarHBondContact OE2-N 3.13Å
51V40Very low37Very low51 Ų51105.4 Ų105.431%0.30960%0.596SS.*  -111.5176.1-64.2163.50000109.5D738 P739 T740 K742V51-D738 HydrophobicContact CG2-CB 4.39Å; V51-D738 PolarHBondContact N-OD2 2.96Å; V51-P739 HydrophobicContact CB-CB 3.76Å; V51-P739 HydrophobicContact CG1-CB 3.52Å; V51-P739 HydrophobicContact CG2-CB 4.2Å; V51-T740 WeakPolarHBondContact CA-OG1 3.39Å; V51-T740 VanDerWaalsContact CB-OG1 3.29Å; V51-T740 WeakPolarHBondContact CB-OG1 3.4Å; V51-T740 PolarHBondContact N-OG1 3.34Å; V51-T740 PolarHBondContact O-OG1 3.46Å; V51-K742 PolarHBondContact O-NZ 3.23Å
52I37Very low37.2Very low134 Ų134109.8 Ų109.869%0.68762%0.619SS**  trans-96.5111.8179.8-57.8159.5000109.6
53E41.9Very low37.3Very low102 Ų102114.9 Ų114.948%0.47764%0.642SS.*  trans-93.1135.3151.7-139.4-174-170.300108.2T740 L741 K742E53-T740 WeakPolarHBondContact CG-O 3.24Å; E53-L741 VanDerWaalsContact CD-N 3.35Å; E53-L741 VanDerWaalsContact OE2-C 3.26Å; E53-L741 WeakPolarHBondContact OE2-CA 3.46Å; E53-L741 PolarHBondContact OE2-N 2.93Å; E53-K742 HydrophobicContact CB-CB 3.89Å; E53-K742 WeakPolarHBondContact O-CB 3.45Å; E53-K742 PolarHBondContact OE2-N 3.39Å
54D40.8Very low37.4Very low144 Ų144118.6 Ų118.677%0.7765%0.651SS**  trans-97.3141.9-160.7-139.4-25.5000112.8P56D54-P56 WeakPolarHBondContact O-CD 3.4Å
55K39Very low37.5Very low132 Ų132124.2 Ų124.257%0.57468%0.678SS**  trans-108.9100.9-173.3-165.1178.4-171.7-177.20111.3M744K55-M744 HydrophobicContact CD-CE 3.98Å; K55-M744 HydrophobicContact CD-SD 4.06Å; K55-M744 PolarHBondContact NZ-SD 3.01Å
56P45.9Very low37.3Very low116 Ų116119.7 Ų119.775%0.75368%0.675SS**PPolyproline II helixtrans-66.5135.4-174.925.4-33.7000112.2D54D54-P56 WeakPolarHBondContact O-CD 3.4Å
57P39Very low37.3Very low118 Ų118120.3 Ų120.377%0.76668%0.683SS**PPolyproline II helixtrans-83.6151.3-176.233.4-35.9000112.7P59P57-P59 WeakPolarHBondContact O-CD 3.07Å
58S35.2Very low37.1Very low107 Ų107125.6 Ų125.675%0.74870%0.695SS**PPolyproline II helixtrans-79.7122.3171.9-46.60000111.7
59P36.3Very low36.9Very low127 Ų127122.2 Ų122.283%0.82569%0.692SS**  trans-106.2113.8174.331.2-17.1000111.6P57P57-P59 WeakPolarHBondContact O-CD 3.07Å
60L32.5Very low36.4Very low162 Ų162126.6 Ų126.685%0.84871%0.71SS**  trans-107127.3172-122.2174.1000109.9
61S32.7Very low36.3Very low101 Ų101130.1 Ų130.171%0.70674%0.735SS**  trans74.4164.7165.1-46.80000118.8
62L36.7Very low36Very low158 Ų158135.6 Ų135.683%0.82776%0.757SS**  trans75.2117.5-180-53.4173.4000114.4
63Q38Very low35.8Very low149 Ų149134.3 Ų134.370%0.69676%0.76SS**  cis104.8105.618.8-169.4179.8-5.200113.9
64Q35.7Very low35.8Very low155 Ų155135 Ų13572%0.72477%0.774SS**  trans55.898.2155.6-62.4177.3-89.900118.9
65D37Very low35.6Very low153 Ų153133.3 Ų133.382%0.81877%0.77SS**  171.5149.4113.6-82-16000107.8
66G32.5Very low35.3Very low69 Ų69136.4 Ų136.471%0.71178%0.784SS**  cis136.6723.900000112.2
67V36.1Very low34.8Very low145 Ų145139.2 Ų139.288%0.87979%0.787SS**  trans-169.1151.7161.3131.40000110.7
68F30.2Very low34.4Very low204 Ų204140 Ų14090%0.89579%0.785SS**  trans-87.2134-179.9-79.1-112.1000113.5
69S32.8Very low34.5Very low111 Ų111141.1 Ų141.178%0.77678%0.783SS**  trans-158.6118.6142.6-79.40000104.6
70L30.8Very low34.2Very low166 Ų166142.2 Ų142.287%0.86978%0.777SS**  55.513266.3-149.189000111.5
71V31.8Very low34.1Very low128 Ų128141.6 Ų141.678%0.77677%0.774SS**  trans86.6131.2-161.6177.50000112.5
72Q33.2Very low34Very low166 Ų166143.6 Ų143.678%0.77678%0.777SS**  cis-164.7138.8-25.3-161.5156.7-22.300107.7
73S33Very low33.5Very low107 Ų107141.4 Ų141.475%0.74877%0.774SS**PPolyproline II helixtrans-69.1133.1173.6-52.30000110.4
74P42.3Very low33.3Very low118 Ų118140.6 Ų140.677%0.76678%0.779SS**PPolyproline II helixtrans-62.3149.6162.928.2-32.6000109.7
75P38Very low33.1Very low107 Ų107137.6 Ų137.670%0.69578%0.775SS**PPolyproline II helixtrans-86.8153.6-150.332.6-37.1000115.1E77P75-E77 PolarHBondContact O-N 2.86Å
76F30.8Very low32.9Very low197 Ų197136.4 Ų136.486%0.86478%0.776SS**  trans-76.2109.2148.8-75.2-87.7000108.2N78F76-N78 PolarHBondContact O-N 2.7Å
77E36.5Very low32.7Very low175 Ų175140.5 Ų140.582%0.81878%0.777SS**  trans-77.9104.3177.2-155.9155.2-118.900109.3P75P75-E77 PolarHBondContact O-N 2.86Å
78N30.6Very low32.3Very low134 Ų134139.8 Ų139.872%0.71777%0.768SS**  trans-108.492.2177.6-78.6-78.7000109.7F76F76-N78 PolarHBondContact O-N 2.7Å
79D36.9Very low32.5Very low131 Ų131138.9 Ų138.970%0.70177%0.766SS**  trans-119.6108.8159.9-83-43.9000108.1
80Q31Very low32.3Very low150 Ų150140.5 Ų140.570%0.70177%0.766SS**  81.6106.467.8-78.7-167.996.600113.3
81L29.5Very low32.1Very low150 Ų150136.7 Ų136.779%0.78575%0.753SS**  trans68.2139.8154.8-48.7169.9000114.8
82D31.1Very low31.9Very low143 Ų143137.6 Ų137.677%0.76575%0.753SS**  cis-141.3158.525.8-129.3-26.8000113.1
83S26.8Very low32Very low111 Ų111136.9 Ų136.978%0.77675%0.754SS**  trans-101.7109.8179.762.30000112.2
84V32.1Very low31.7Very low133 Ų133138.1 Ų138.181%0.80675%0.751SS**  trans-133.3122.1172-169.10000111.3
85S31.3Very low31.5Very low91 Ų91139.7 Ų139.764%0.63675%0.752SS**  trans-89.2154.4172.1174.10000110.8E87S85-E87 PolarHBondContact OG-N 3.22Å; S85-E87 VanDerWaalsContact OG-N 3.08Å
86P34Very low31.2Very low129 Ų129140.9 Ų140.984%0.83875%0.748SS**  trans-123.589142.335.1-26.2000111.9
87E28.4Very low31.2Very low155 Ų155136.2 Ų136.272%0.72474%0.74SS**  trans-63.8155.3145.7-64.2-171.2142.400109.9S85S85-E87 PolarHBondContact OG-N 3.22Å; S85-E87 VanDerWaalsContact OG-N 3.08Å
88N28.3Very low31Very low129 Ų129135 Ų13569%0.6974%0.739SS**  trans61.898.6158.2-59.2-51.8000118.7
89Q32.5Very low30.8Very low185 Ų185135.6 Ų135.686%0.86474%0.742SS**  trans173.7140.1130.9-90.8157.1102.400108.3
90L28.9Very low30.6Very low146 Ų146137.6 Ų137.676%0.76475%0.747SS**  cis-149.8150.3-6-117.5160.1000110.7
91S27.1Very low30.5Very low86 Ų86135.5 Ų135.560%0.60175%0.745SS**  trans-60.9152.5175.950.80000115.6
92N28.2Very low30.4Very low147 Ų147134.5 Ų134.579%0.78674%0.74SS**  trans151.6121.2146.4-79.6-19.7000108.7
93L35Very low30.5Very low151 Ų151134.1 Ų134.179%0.79174%0.736SS**  cis-118.7158.25.9-85.746000108.8
94L27.3Very low30.6Very low132 Ų132132.5 Ų132.569%0.69172%0.719SS**  cis70.688.19.8-157.578000118.3
95I36.6Very low30.5Very low151 Ų151131.3 Ų131.377%0.77471%0.708SS**  trans-176.3133.5143.5-95.6149.1000105.6
96H32Very low30.3Very low132 Ų132132.2 Ų132.261%0.61171%0.714SS**  cis174.3142.2-20.8-108.413.5000105.1
97S30.4Very low30.2Very low100 Ų100129.9 Ų129.970%0.69971%0.713SS**  trans66.1151.2148.572.90000120.3
98N32.2Very low30.3Very low149 Ų149130 Ų13080%0.79772%0.717SS**  cis-157.9156.1-19.3-109.4-19.8000111
99N27.6Very low30.4Very low146 Ų146131 Ų13178%0.78172%0.722SS**  trans-68.6132.9170.3-53-72.4000111.7
100Q32Very low30.3Very low173 Ų173126.8 Ų126.881%0.80871%0.713SS**  trans-166.1120.7145.9-109.4134.190.600110.2
101T28.8Very low30.3Very low107 Ų107125.9 Ų125.966%0.65671%0.714SS**  82.590.285.8-63.90000110.9
102L28.3Very low30.5Very low129 Ų129127.9 Ų127.968%0.67572%0.722SS**  80.7162.7102.1-88.5163.4000113.9
103I32.6Very low30.7Very low135 Ų135126 Ų12669%0.69272%0.716SS**  trans70.7133.3161.3-71.2155.8000114.2
104N28.8Very low30.7Very low76 Ų76124.4 Ų124.441%0.40671%0.709SS.*  cis-171.3175.5-6.9-119.3-14.2000112I1134N104-I1134 WeakPolarHBondContact ND2-CD1 3.48Å; N104-I1134 WeakPolarHBondContact OD1-CD1 3.45Å
105L29.6Very low30.9Very low109 Ų109124.5 Ų124.557%0.57171%0.705SS**  trans41.8102.2141.5-61.3167.7000118.2
106S28.1Very low30.8Very low110 Ų110125 Ų12577%0.76970%0.702SS**  62.6109.489.776.70000116
107G32Very low30.8Very low79 Ų79128.2 Ų128.281%0.81471%0.709SS**  trans-161.394.2173.900000112.4
108I30.8Very low30.8Very low159 Ų159129.2 Ų129.282%0.81570%0.702SS**  trans-96.6158.9172.4-40.9174.8000108.2
109N30.5Very low31Very low148 Ų148130.4 Ų130.479%0.79170%0.703SS**  trans90.6128.5-179.1-49-41.6000113
110S28.7Very low31.3Very low97 Ų97128.7 Ų128.768%0.67870%0.697SS**  cis90.1141.836.9-168.70000113
111T28.8Very low31.7Very low128 Ų128126.4 Ų126.479%0.78570%0.698SS**  trans67.7152-175.777.10000114.1
112V32.9Very low31.9Very low127 Ų127127.4 Ų127.477%0.7770%0.697SS**  cis-151.1-172.3-11.6110.20000109.5
113T30.8Very low32.2Very low108 Ų108127.6 Ų127.666%0.66370%0.704SS**  trans-50.5153.2172.555.70000112.8
114D34.8Very low32.1Very low118 Ų118127.9 Ų127.963%0.63171%0.707SS**  -176.5157.771.7-115.1-72.9000115.1
115Q33.3Very low32.4Very low133 Ų133128.8 Ų128.862%0.62173%0.725SS**  trans31.1133.9146.7-76.5172.377.300124.7
116K33.5Very low32.6Very low162 Ų162135 Ų13570%0.70474%0.741SS**  trans86125.5130.8-80.2170.6179.5149.40122.4
117R32.8Very low32.9Very low199 Ų199136.6 Ų136.675%0.75174%0.741SS**  trans75130.6135.2-66.1-178.7100.1148.110120.2
118E30.3Very low33.6Very low122 Ų122137.2 Ų137.257%0.5773%0.73SS**  35.2119.9129.5-55.7171.1105.700118.2
119H35.8Very low33.6Very low174 Ų174135.6 Ų135.681%0.80672%0.723SS**  -164.6144.586.7-108.2-79.8000113.8
120V34.8Very low33.7Very low109 Ų109134.4 Ų134.466%0.66172%0.717SS**  trans-92.9134.9168.7-178.40000109.2I122V120-I122 HydrophobicContact CB-CG1 4.43Å; V120-I122 HydrophobicContact CG1-CG1 3.9Å; V120-I122 PolarHBondContact O-N 2.7Å
121P39.9Very low33.9Very low126 Ų126137 Ų13782%0.81872%0.718SS**  trans-83.6100163.831.5-28.7000110.3
122I33Very low34.1Very low127 Ų127136.9 Ų136.965%0.65171%0.712SS**  trans-91121.9173.5-59.9170.6000109.8V120V120-I122 HydrophobicContact CB-CG1 4.43Å; V120-I122 HydrophobicContact CG1-CG1 3.9Å; V120-I122 PolarHBondContact O-N 2.7Å
123T34.6Very low33.9Very low134 Ų134138.9 Ų138.982%0.82272%0.716SS**  trans-160.2151.1155.842.50000111.8
124N30.7Very low33.9Very low141 Ų141139.2 Ų139.275%0.75472%0.717SS**  cis176.1111.7-39.3-110.4-28.2000108.6
125A35.2Very low33.8Very low95 Ų95138.9 Ų138.979%0.78573%0.725SS**  trans-156.9104.6159.400000108.9
126R33.2Very low33.8Very low240 Ų240137.4 Ų137.491%0.90673%0.729SS**  77.489.480.3-163.8178.1-151.11695.3110.2
127N35.7Very low33.8Very low142 Ų142136.4 Ų136.476%0.75973%0.727SS**  61.7137.159.5-151.130.2000110.2
128P45.2Very low33.8Very low92 Ų92137.1 Ų137.160%0.59773%0.73SS**  cis-156.4-174.427.645-22.6000120.5
129N31.4Very low34.1Very low125 Ų125134.3 Ų134.367%0.66873%0.727SS**  trans88.1122.7131.8-82.6-7.7000125.7
130L33.1Very low34.1Very low124 Ų124133.2 Ų133.265%0.64973%0.727SS**  85.9135.4119.5-70.5171.7000124
131Q33.1Very low34Very low151 Ų151132.5 Ų132.571%0.70673%0.727SS**  trans69.9146145.2-68163.612.100117
132N32.7Very low33.9Very low125 Ų125132.7 Ų132.767%0.66873%0.726SS**  cis-148.3154.1-3.8-105.5-19000107.9
133M28.7Very low33.9Very low170 Ų170132 Ų13284%0.83773%0.732SS**  42.3123.788.5-93.4-170.3177.100113.1
134T31.3Very low34Very low114 Ų114129.1 Ų129.170%0.69973%0.728SS**  cis-161.1-178.924.551.70000112.2
135S31.8Very low34.1Very low112 Ų112129.4 Ų129.478%0.78373%0.73SS**  trans79.6147.4149.5-600000118.8
136S32.5Very low34.2Very low102 Ų102130.2 Ų130.271%0.71373%0.725SS**  cis-167.2169.2-20.3-169.20000110
137E35.1Very low34.2Very low140 Ų140123.6 Ų123.665%0.65472%0.715SS**  trans73.8123.4163.2-57.3-136.2101.200116
138R32.8Very low34Very low215 Ų215124.2 Ų124.281%0.81172%0.719SS**  cis99.8131.144.1173.2-173.9-168-171.41.8109.2
139A35.7Very low34.4Very low63 Ų63124.7 Ų124.752%0.52172%0.722SS.*  cis-158.1168.214.600000113.7
140N36.3Very low34.6Very low151 Ų151126.7 Ų126.781%0.80773%0.733SS**  trans68.8147.1141-63.3-1.8000119.4
141S32.8Very low34.6Very low94 Ų94126.1 Ų126.166%0.65774%0.738SS**  cis-169.5152.7-9-107.70000114.7
142V36.4Very low35Very low130 Ų130123.6 Ų123.679%0.78874%0.735SS**  trans75.699.5139.7174.20000120.5
143S33.9Very low35Very low113 Ų113124.6 Ų124.679%0.7974%0.74SS**  71.1146117.6-150.50000122.3
144G36.1Very low35.5Very low72 Ų72121.7 Ų121.774%0.74273%0.732SS**  trans-172-17178.800000120.8
145D34.1Very low35.6Very low147 Ų147121.8 Ų121.879%0.78673%0.732SS**  trans53136.4158.4-98.1-1.2000124.6
146V35.8Very low36Very low112 Ų112124.7 Ų124.768%0.67973%0.73SS**  trans80.278.7132.2178.50000121.3
147S34.5Very low35.8Very low101 Ų101123.8 Ų123.871%0.70672%0.724SS**  90.7151.110782.40000125.1
148N31.9Very low35.6Very low155 Ų155124.5 Ų124.583%0.82973%0.725SS**  trans99.6128.6135.6-124.920.1000120.2
149P53.3Low35.5Very low103 Ų103123.3 Ų123.367%0.66972%0.721SS**  trans-105.2177.1-179.441.9-35.4000113.3
150N34.8Very low35.5Very low167 Ų167128.7 Ų128.789%0.89373%0.732SS**  trans-159.3162.6139.9-118.9-46.5000115.5
151C32.6Very low35.7Very low111 Ų111126.6 Ų126.675%0.7573%0.727SS**  trans-107.2-160.7174-1460000107.3
152P42.7Very low35.4Very low99 Ų99130.8 Ų130.864%0.64373%0.733SS**  cis-143.8-179.1-11.846.3-28.9000116.4
153D31.7Very low35.6Very low145 Ų145135.4 Ų135.478%0.77574%0.738SS**  trans62.4-177.7138.1-121.7-51.4000124.5
154V38.9Very low35.7Very low110 Ų110135.1 Ų135.167%0.66774%0.736SS**  trans100.370.4162.5-160.80000117.8
155V33.6Very low35.7Very low115 Ų115136.4 Ų136.470%0.69773%0.732SS**  trans-26.9128.1143.4178.60000115.7
156K39.9Very low35.7Very low174 Ų174140 Ų14076%0.75773%0.734SS**  trans-174119.3143.2-90.1131.5-164.11670107.5
157S30.2Very low35.6Very low83 Ų83141.1 Ų141.158%0.5874%0.736SS**  53.1106.650.9-166.70000114
158F30.7Very low35.6Very low154 Ų154141.6 Ų141.668%0.67574%0.74SS**  179.9129.5111.2-88.9-48.8000115.8
159R30.9Very low35.9Very low191 Ų191140 Ų14072%0.72174%0.735SS**  trans55.9115.3134.3-65.9165.1-177.4-169.52.7122.5
160K33.9Very low35.2Very low175 Ų175140.1 Ų140.176%0.76174%0.738SS**  68.2170.8120.8-68.3174.4-177.8177.60117
161P40.6Very low35.2Very low107 Ų107140.9 Ų140.970%0.69574%0.736SS**  cis-111.6160.80.343.4-31.7000113.3
162K27.8Very low35.3Very low182 Ų182144.8 Ų144.879%0.79174%0.744SS**  59.187.954.7-91.4-152.7175.3-1610114.9
163Y40.3Very low35.3Very low227 Ų227145 Ų14589%0.8975%0.745SS**  trans-146.7133.5143.9-97.1-70.3000111.5
164S34.9Very low35.6Very low107 Ų107145.4 Ų145.475%0.74875%0.745SS**  trans-154.6141.4171.61670000105.8
165P37.2Very low35.6Very low100 Ų100145 Ų14565%0.64974%0.743SS**  -151.2154.3127.738.9-23.7000115.2
166R32.7Very low35.6Very low223 Ų223146 Ų14684%0.84275%0.745SS**  trans64.1147.7135-74.5178.3-173.8156.2-0.1119.4
167D34.8Very low35.1Very low134 Ų134142.9 Ų142.972%0.71775%0.745SS**  cis-146.8164.411.5-90.5-45.7000112.2
168S35Very low35.3Very low112 Ų112145.9 Ų145.978%0.78376%0.76SS**  trans72148.7161.5-530000119.7
169V37Very low35.3Very low120 Ų120143.4 Ų143.473%0.72777%0.768SS**  cis-160.6133.4-19.3130.80000108.2
170S38.3Very low35.4Very low106 Ų106138.7 Ų138.774%0.74177%0.77SS**  trans56.4151.9163.370.40000120.9
171Q35.1Very low35.1Very low183 Ų183135.3 Ų135.386%0.85577%0.768SS**  cis-163.8117-28-112.9-170.514.200107.8
172Q35.9Very low34.7Very low194 Ų194135.8 Ų135.891%0.90777%0.769SS**  trans-178.9148.4132.3-101176.311.600109.9
173P41.4Very low35Very low102 Ų102134.6 Ų134.666%0.66277%0.77SS**  trans-117.6144.7-155.79.315.7000115.9
174I38.6Very low34.6Very low154 Ų154127 Ų12779%0.7976%0.761SS**  trans73.7135.5130.3-63.9172.5000117.8
175T38.1Very low34.3Very low101 Ų101127.7 Ų127.762%0.6277%0.765SS**  cis-166.7151.6-17.532.60000111.3
176D33.6Very low34Very low137 Ų137128.4 Ų128.473%0.73377%0.772SS**  44.4114128-43.8-14.7000122.7
177S29.9Very low33.9Very low108 Ų108124.9 Ų124.976%0.75577%0.77SS**  21.6132.4129.566.80000122.7
178V35.1Very low34Very low147 Ų147123.8 Ų123.889%0.89177%0.77SS**  trans-136.2141.2133.6177.90000108.4
179A31.1Very low33.8Very low102 Ų102125.4 Ų125.484%0.84378%0.775SS**  trans-106.5124.1174.700000111
180A32Very low33.3Very low92 Ų92129.1 Ų129.176%0.7678%0.782SS**  trans-157.4117.316800000112.4
181S28.5Very low32.8Very low104 Ų104129.5 Ų129.573%0.72779%0.785SS**  trans40.9141.2137.1-162.50000122.4
182T30.8Very low32.5Very low116 Ų116128.3 Ų128.371%0.71278%0.783SS**  trans78.9136.5147.6160000120.5
183I34.3Very low32.3Very low158 Ų158125.1 Ų125.181%0.8178%0.777SS**  trans71.184.9155.9-52.6155.6000116.8
184G31.7Very low31.8Very low68 Ų68125.2 Ų125.270%0.70179%0.786SS**  61.4109.1103.300000120.7
185S29Very low31.3Very low120 Ų120129.4 Ų129.484%0.83979%0.792SS**  trans61.895.6143.7-172.60000118.2
186S31Very low30.7Very low115 Ų115132.6 Ų132.680%0.80480%0.8SS**  trans-129.7126.5165.959.20000112.5
187D30.9Very low30.4Very low150 Ų150131.2 Ų131.280%0.80280%0.797SS**  trans-60.5179.4163.2-65.3-69000112.6
188P36.2Very low30.3Very low110 Ų110132.6 Ų132.671%0.71480%0.796SS**  cis-134.5144.7-49.535.1-20.5000112.1
189V30.5Very low30Very low146 Ų146133 Ų13389%0.88579%0.792SS**  trans-133.4128.8172.3-1750000113.2
190F27.3Very low29.8Very low198 Ų198132.6 Ų132.687%0.86878%0.783SS**  trans-53.2135.2-179.5-74-108.9000115.1
191S28.5Very low30Very low114 Ų114135.8 Ų135.880%0.79779%0.786SS**  trans-122.5151.7144.757.60000109.4
192L27.8Very low29.9Very low159 Ų159138.3 Ų138.383%0.83279%0.79SS**  trans-79.7156.9-172.9-62.870.1000109.5
193T31.5Very low30Very low127 Ų127136.8 Ų136.878%0.77979%0.79SS**  cis-148.1147.433.840.30000115
194A31.3Very low29.9Very low103 Ų103134.2 Ų134.285%0.85179%0.785SS**  trans56.655.414200000120.3
195R27.6Very low30.4Very low243 Ų243142.7 Ų142.792%0.91780%0.796SS**  trans-89.895.8138.6-174.7-172.2-163.2174.27.7108.5
196E26.6Very low31.1Very low167 Ų167142.8 Ų142.878%0.7878%0.781SS**  trans-178.7104.3149.3-106.8170.1-161.300115.3
197T26.3Very low31.7Very low108 Ų108140 Ų14066%0.66376%0.762SS**  trans66.1170.813469.50000121.6
198N27.6Very low32.6Very low137 Ų137136.6 Ų136.673%0.73375%0.746SS**  trans57.6100.6149.1-66-37.1000116.3
199L29.2Very low33.5Very low157 Ų157139.7 Ų139.782%0.82275%0.749SS**  -166.9154.360.3-93.8155.8000113.6
200S27Very low34.8Very low93 Ų93138.3 Ų138.365%0.6573%0.732SS**  trans13.6140.5152.862.20000121.5
201L35.4Very low36.2Very low158 Ų158134 Ų13483%0.82772%0.718SS**  cis-122.9137.315-80.185.5000113A203L201-A203 VanDerWaalsContact C-N 3.26Å; L201-A203 PolarHBondContact O-N 3.26Å
202I27Very low37.3Very low158 Ų158134.5 Ų134.581%0.8170%0.703SS**  trans-7387.6156.1-58.5171.7000107.1S204I202-S204 VanDerWaalsContact C-N 3.27Å; I202-S204 PolarHBondContact O-N 2.96Å
203A32.5Very low38.2Very low84 Ų84129.8 Ų129.869%0.69469%0.693SS**  trans-7091.9159.300000107.1L201 R205L201-A203 VanDerWaalsContact C-N 3.26Å; L201-A203 PolarHBondContact O-N 3.26Å; A203-R205 PolarHBondContact O-N 2.87Å
204S32Very low39Very low103 Ų103132.1 Ų132.172%0.7270%0.695SS**  trans-55.6102.9176.8-62.40000109.2I202 K206I202-S204 VanDerWaalsContact C-N 3.27Å; I202-S204 PolarHBondContact O-N 2.96Å; S204-K206 VanDerWaalsContact C-N 3.34Å; S204-K206 PolarHBondContact O-N 2.87Å
205R44Very low39.7Very low247 Ų247131 Ų13193%0.93268%0.679SS**  trans-6298.3176.7-78.6-177169.2-178.4-3.9108A203 S207A203-R205 PolarHBondContact O-N 2.87Å; R205-S207 PolarHBondContact O-N 2.81Å
206K41.8Very low40.5Very low121 Ų121125 Ų12553%0.52667%0.674SS.*  trans-42.1130.6162.2-83178.5167.8-168.90108.2S204 E210 L211S204-K206 VanDerWaalsContact C-N 3.34Å; S204-K206 PolarHBondContact O-N 2.87Å; K206-E210 HydrophobicContact CB-CB 3.66Å; K206-E210 HydrophobicContact CD-CB 4.23Å; K206-E210 HydrophobicContact CG-CB 3.87Å; K206-L211 HydrophobicContact CB-CD2 4.14Å; K206-L211 HydrophobicContact CB-CG 3.8Å; K206-L211 HydrophobicContact CD-CD2 4.31Å; K206-L211 WeakPolarHBondContact O-CD1 3.28Å
207S44.5Very low41.8Very low56 Ų56127.5 Ų127.539%0.39268%0.677SS.*  trans-55.8162.2173.759.20000111R205 K209 E210 L211R205-S207 PolarHBondContact O-N 2.81Å; S207-K209 PolarHBondContact O-N 2.71Å; S207-E210 WeakPolarHBondContact CB-OE2 2.93Å; S207-E210 PolarHBondContact N-OE2 3.43Å; S207-E210 CarbonylContact O-C 3.59Å; S207-E210 WeakPolarHBondContact O-CA 3.41Å; S207-E210 PolarHBondContact O-N 3.33Å; S207-E210 WeakPolarHBondContact OG-CG 3.5Å; S207-E210 PolarHBondContact OG-N 2.73Å; S207-E210 PolarHBondContact OG-OE2 3.43Å; S207-L211 PolarHBondContact O-N 3.15Å
208V49Very low42.6Very low79 Ų79133.2 Ų133.248%0.47969%0.686SS.*Hα-helixtrans-52-32.7174.9178.50000111.3Y212V208-Y212 HydrophobicContact CG1-CD2 4.04Å; V208-Y212 WeakPolarHBondContact O-CB 3.42Å; V208-Y212 PolarHBondContact O-N 2.83Å
209K55.4Low43.1Very low175 Ų175130.4 Ų130.476%0.76169%0.69SS**Hα-helixtrans-76.9-16.5178.1-159.5166.7-175.3168.70114.5S207S207-K209 PolarHBondContact O-N 2.71Å
210E57.9Low43.6Very low117 Ų117130.5 Ų130.555%0.54769%0.691SS.*Hα-helixtrans-102.3-21.9173.2-71.9168.2104.500113.4K206 S207K206-E210 HydrophobicContact CB-CB 3.66Å; K206-E210 HydrophobicContact CD-CB 4.23Å; K206-E210 HydrophobicContact CG-CB 3.87Å; S207-E210 WeakPolarHBondContact CB-OE2 2.93Å; S207-E210 PolarHBondContact N-OE2 3.43Å; S207-E210 CarbonylContact O-C 3.59Å; S207-E210 WeakPolarHBondContact O-CA 3.41Å; S207-E210 PolarHBondContact O-N 3.33Å; S207-E210 WeakPolarHBondContact OG-CG 3.5Å; S207-E210 PolarHBondContact OG-N 2.73Å; S207-E210 PolarHBondContact OG-OE2 3.43Å
211L57.4Low44.2Very low107 Ų107129.5 Ų129.556%0.5670%0.695SS**Hα-helixtrans-79.7-39.3169.1-79.5169.3000111.4K206 S207K206-L211 HydrophobicContact CB-CD2 4.14Å; K206-L211 HydrophobicContact CB-CG 3.8Å; K206-L211 HydrophobicContact CD-CD2 4.31Å; K206-L211 WeakPolarHBondContact O-CD1 3.28Å; S207-L211 PolarHBondContact O-N 3.15Å
212Y50.8Low44.4Very low126 Ų126130.2 Ų130.249%0.49470%0.7SS.*SBendtrans-120.381.3178.1-54.4-62.7000109.3V208 K580V208-Y212 HydrophobicContact CG1-CD2 4.04Å; V208-Y212 WeakPolarHBondContact O-CB 3.42Å; V208-Y212 PolarHBondContact O-N 2.83Å; Y212-K580 HydrophobicContact CE1-CD 4.03Å; Y212-K580 VanDerWaalsContact CE1-CE 3.44Å
213G46.7Very low45.2Very low59 Ų59127.3 Ų127.361%0.60869%0.694SS**  trans-54.9150.8167.200000110.6
214Q49.1Very low45.4Very low177 Ų177127.1 Ų127.183%0.82770%0.7SS**  trans-55.5136.9-162.4-76.9-156.7-53.200113.7S216Q214-S216 PolarHBondContact O-N 2.88Å
215P45Very low45.6Very low79 Ų79133 Ų13351%0.51371%0.709SS.*  trans-68.593-175.526.4-33.9000111.8W217P215-W217 PolarHBondContact O-N 2.96Å
216S45.1Very low45.3Very low118 Ų118126.7 Ų126.783%0.82570%0.702SS**THydrogen-bonded Turntrans-71.243.2-177.7-172.70000114.5Q214Q214-S216 PolarHBondContact O-N 2.88Å
217W54.2Low44.9Very low218 Ų218130 Ų13083%0.82671%0.712SS**THydrogen-bonded Turntrans-1347.3-178.666.7-73.9000115P215P215-W217 PolarHBondContact O-N 2.96Å
218W42.3Very low44.6Very low228 Ų228133.1 Ų133.186%0.86473%0.732SS**SBendtrans-71.8131.2148.3-66.879.7000107.2D220W218-D220 PolarHBondContact O-N 3.2Å
219G38.9Very low43.6Very low79 Ų79137.3 Ų137.381%0.81475%0.745SS**  trans-76.6118.2-163.800000114.1G221G219-G221 PolarHBondContact O-N 2.84Å; G219-G221 VanDerWaalsContact O-N 3.08Å
220D39.6Very low42.6Very low159 Ų159134.9 Ų134.985%0.8575%0.746SS**  trans-62.9105.4162.6-82.5-38000109.8W218W218-D220 PolarHBondContact O-N 3.2Å
221G39.1Very low41.2Very low71 Ų71134.4 Ų134.473%0.73276%0.755SS**  trans-86.8103.117100000111G219 S223G219-G221 PolarHBondContact O-N 2.84Å; G219-G221 VanDerWaalsContact O-N 3.08Å; G221-S223 PolarHBondContact O-N 3.14Å
222D41.2Very low39.9Very low173 Ų173133.3 Ų133.393%0.92576%0.756SS**  trans-62.684.7176.9-94.8-36000112.9
223S43.2Very low38.9Very low97 Ų97137.2 Ų137.268%0.67878%0.776SS**SBendtrans-160.699.4155.362.20000115.3G221 Y225G221-S223 PolarHBondContact O-N 3.14Å; S223-Y225 PolarHBondContact O-N 3.42Å
224G35.4Very low38.3Very low81 Ų81137.7 Ų137.784%0.83578%0.782SS**  trans77.2-3.1130.800000121S226G224-S226 PolarHBondContact O-N 3.09Å
225Y36.7Very low37.4Very low227 Ų227136.5 Ų136.589%0.8978%0.781SS**  trans-75.399176.9-97.6-84.8000112.6S223 Y227S223-Y225 PolarHBondContact O-N 3.42Å; Y225-Y227 PolarHBondContact O-N 3.46Å
226S37.4Very low36.8Very low113 Ų113137.5 Ų137.579%0.7978%0.778SS**  trans-66116.5170-65.80000111.1G224G224-S226 PolarHBondContact O-N 3.09Å
227Y33.9Very low36.1Very low190 Ų190134.8 Ų134.875%0.74575%0.753SS**  trans-60.5138.3163.2-110.2-97.8000110.3Y225 H229Y225-Y227 PolarHBondContact O-N 3.46Å; Y227-H229 PolarHBondContact O-N 3.26Å
228P38.5Very low35.1Very low123 Ų123129.6 Ų129.680%0.79975%0.746SS**  trans-70.482.9162.529.7-32.8000109.9T230P228-T230 PolarHBondContact O-N 2.87Å; P228-T230 VanDerWaalsContact O-N 3.16Å
229H28.6Very low34.7Very low166 Ų166123 Ų12377%0.76973%0.73SS**  trans-75.491.8171.4-84.6-75.6000111.6Y227Y227-H229 PolarHBondContact O-N 3.26Å
230T33.4Very low34.4Very low125 Ų125127.3 Ų127.377%0.76773%0.729SS**  trans-157.8121.3141.242.30000107.5P228P228-T230 PolarHBondContact O-N 2.87Å; P228-T230 VanDerWaalsContact O-N 3.16Å
231S29Very low34.5Very low107 Ų107125 Ų12575%0.74872%0.722SS**  cis6197.536.791.90000114.4
232S29.1Very low34.1Very low83 Ų83127.4 Ų127.458%0.5872%0.723SS**  156.7151.298.5-166.90000112.2
233F31.1Very low33.7Very low208 Ų208125.7 Ų125.791%0.91272%0.718SS**  trans65.8151.2175.3-44.1-71.9000115.2
234G33.3Very low33.2Very low70 Ų70125.2 Ų125.272%0.72272%0.72SS**  cis-159170.8-2.200000112.1
235N30.3Very low33Very low151 Ų151126.7 Ų126.781%0.80772%0.717SS**  trans-79.3162.2-172.4-65.8-31.5000114.5
236Q31.9Very low32.8Very low100 Ų100127.2 Ų127.247%0.46772%0.718SS.*  trans102.1102.4153.6-58.2170.383.800118V1138 K1139 P1140Q236-V1138 PolarHBondContact OE1-O 3.22Å; Q236-V1138 VanDerWaalsContact OE1-O 3.13Å; Q236-K1139 PolarHBondContact OE1-O 3.23Å; Q236-P1140 HydrophobicContact CB-CB 3.79Å; Q236-P1140 HydrophobicContact CB-CG 3.87Å; Q236-P1140 HydrophobicContact CG-CB 4.48Å; Q236-P1140 WeakPolarHBondContact O-CD 3.41Å; Q236-P1140 WeakPolarHBondContact O-CG 3.44Å
237E31.8Very low32.5Very low61 Ų61129.3 Ų129.329%0.28571%0.713SS.*  54.389.3122.8-161.5178117.500118.1V1138 K1139E237-V1138 VanDerWaalsContact CD-N 3.31Å; E237-V1138 VanDerWaalsContact OE1-C 3.28Å; E237-V1138 PolarHBondContact OE1-N 3.46Å; E237-V1138 VanDerWaalsContact OE1-N 3.09Å; E237-V1138 VanDerWaalsContact OE2-C 3.25Å; E237-V1138 WeakPolarHBondContact OE2-CA 3.35Å; E237-V1138 PolarHBondContact OE2-N 3.02Å; E237-K1139 HydrophobicContact CG-CG 4.16Å; E237-K1139 WeakPolarHBondContact O-CE 3.44Å; E237-K1139 WeakPolarHBondContact OE1-CG 3.31Å; E237-K1139 PolarHBondContact OE1-N 3.4Å
238T33.1Very low32.3Very low110 Ų110129.7 Ų129.768%0.67571%0.714SS**  trans66.7178137.3-25.50000114.3K1139T238-K1139 WeakPolarHBondContact O-CE 3.3Å; T238-K1139 PolarHBondContact O-NZ 2.98Å
239V34.1Very low31.9Very low89 Ų89128 Ų12854%0.53971%0.706SS.*  cis-152.8157.126.91760000108.4K1139V239-K1139 HydrophobicContact CG2-CD 3.8Å
240H32.5Very low31.9Very low170 Ų170128.4 Ų128.479%0.78771%0.71SS**  trans-28.6168.1156.5-67.2-71.5000118.4
241P40.4Very low31.8Very low110 Ų110131.8 Ų131.871%0.71471%0.714SS**  cis-139.1-168.88.424.42.5000116.1
242V31.7Very low32Very low122 Ų122129.3 Ų129.374%0.73970%0.7SS**  trans81.1100.6153.9-165.40000119.6
243V32.4Very low32.1Very low136 Ų136129.9 Ų129.982%0.82470%0.697SS**  32.7138.7121.5-168.60000120.3
244A33.1Very low32.4Very low87 Ų87122 Ų12272%0.71966%0.663SS**  trans122.677.2150.700000116.8
245S30.1Very low32.5Very low112 Ų112124 Ų12478%0.78366%0.658SS**  20.8113.9125.3-45.60000119.8
246R32.2Very low32.7Very low239 Ų239122.7 Ų122.790%0.90265%0.65SS**  176124.4105.4-95.1174.2-173.7-151.41.4114.8
247K31.7Very low32.8Very low157 Ų157124.5 Ų124.568%0.68367%0.668SS**  29.2131.4124.4-80.3-179.2164.6-172.70121
248Y29.9Very low33.1Very low197 Ų197126.7 Ų126.777%0.77369%0.69SS**  trans72.4151.1144.3-60.6-35.4000118.4
249S29.7Very low33.3Very low89 Ų89129.8 Ų129.862%0.62270%0.697SS**  cis-165.6157-20.8-168.90000110.2
250M29.5Very low33.5Very low174 Ų174134.7 Ų134.786%0.85771%0.714SS**  trans27130153.3-66.1163.4167.600121
251K32Very low34Very low195 Ų195132.6 Ų132.685%0.84871%0.708SS**  -173.7167.796.2-95.9-169.9172.3-146.90112
252A31.6Very low33.8Very low55 Ų55133.3 Ų133.346%0.45572%0.716SS.*  trans-104.5-169.2174.700000110.7
253D32.2Very low34.2Very low96 Ų96133.8 Ų133.851%0.51372%0.72SS.*  -178.4154.8115.3-75-15.1000113.8D775 D776D253-D775 HydrophobicContact CB-CB 3.86Å; D253-D776 CarbonylContact C-O 3.42Å; D253-D776 VanDerWaalsContact C-O 3.24Å; D253-D776 PolarHBondContact N-O 3.41Å; D253-D776 CarbonylContact O-C 3.51Å; D253-D776 VanDerWaalsContact O-C 3.29Å
254I37.2Very low34.5Very low41 Ų41138.2 Ų138.221%0.2172%0.721CS.*  trans-103.2171.2-159.7-142.2168.5000117.7L256 D775 D776 N777I254-L256 HydrophobicContact CD1-CD1 4.15Å; I254-L256 HydrophobicContact CD1-CG 3.83Å; I254-D775 HydrophobicContact CB-CB 4.06Å; I254-D775 HydrophobicContact CG2-CB 4.01Å; I254-D775 WeakPolarHBondContact CG2-OD1 3.49Å; I254-D775 PolarHBondContact N-OD2 2.74Å; I254-D776 HydrophobicContact CB-CB 4.34Å; I254-D776 VanDerWaalsContact CB-N 3.31Å; I254-D776 HydrophobicContact CD1-CB 3.8Å; I254-D776 HydrophobicContact CG1-CB 3.97Å; I254-N777 HydrophobicContact CB-CB 4.24Å; I254-N777 HydrophobicContact CG1-CB 3.59Å
255N35.3Very low35.1Very low113 Ų113139.3 Ų139.360%0.60472%0.721SS**  -163112.9110.5-106.7-87.9000116.5N777N255-N777 PolarHBondContact O-ND2 3.4Å
256L34Very low35.7Very low123 Ų123139.5 Ų139.564%0.64472%0.72SS**  trans-40.9153165.5-72.6150.5000114.7I254I254-L256 HydrophobicContact CD1-CD1 4.15Å; I254-L256 HydrophobicContact CD1-CG 3.83Å
257T34.3Very low36.1Very low138 Ų138133 Ų13385%0.84772%0.717SS**  -177.2158.4124.719.80000117
258S38.3Very low36.3Very low107 Ų107133 Ų13375%0.74872%0.72SS**  trans81.8105.4152.163.50000122.1
259E38Very low36.6Very low175 Ų175127.9 Ų127.982%0.81872%0.718SS**  trans33.6128.6130.3-56.5-171.6-160.700122.7
260E38.5Very low37Very low193 Ų193132.3 Ų132.390%0.90273%0.727SS**  -155175.2105.7-127.9-167.5172.400113.7
261N41.4Very low37.6Very low125 Ų125130 Ų13067%0.66872%0.722SS**  trans-112.5138.8-157.6-73.7-87.6000115.2
262S37.5Very low38.2Very low125 Ų125126.8 Ų126.887%0.87471%0.713SS**  trans-153.188.6159.2-172.60000112
263T40Very low38.7Very low133 Ų133130.7 Ų130.782%0.81673%0.726SS**  trans-77.1127.1-170.7-30.60000112.9
264R37.6Very low39.2Very low228 Ų228134.9 Ų134.986%0.8674%0.74SS**  trans-118.7133.5160.7-165.4175.4-172.8-171.21.4108.3
265P46Very low39.2Very low110 Ų110135.6 Ų135.671%0.71476%0.757SS**PPolyproline II helixtrans-65.3142.6-16924.4-35000112.4
266P43.1Very low39.5Very low116 Ų116136.1 Ų136.175%0.75377%0.77SS**PPolyproline II helixtrans-65.5145.4172.429.4-34.7000110.3
267A39.8Very low39.9Very low103 Ų103135.8 Ų135.885%0.85178%0.778SS**PPolyproline II helixtrans-78.7119.4167.200000108.6A269A267-A269 PolarHBondContact O-N 3.26Å
268E36.2Very low40.5Very low157 Ų157138.9 Ų138.973%0.73478%0.78SS**PPolyproline II helixtrans-59.8132.6-177-62.9172.5152.200111.4F270E268-F270 PolarHBondContact O-N 3.42Å
269A36.8Very low40.5Very low90 Ų90140 Ų14074%0.74479%0.785SS**  trans-73.111217300000109.5A267 V271A267-A269 PolarHBondContact O-N 3.26Å; A269-V271 VanDerWaalsContact C-N 3.3Å; A269-V271 PolarHBondContact O-N 3.43Å
270F38.6Very low40.6Very low182 Ų182143.2 Ų143.280%0.79879%0.789SS**  trans-73.381.5178-60.1-69.8000111.4E268 I272E268-F270 PolarHBondContact O-N 3.42Å; F270-I272 PolarHBondContact O-N 2.64Å; F270-I272 VanDerWaalsContact O-N 3.14Å
271V41.3Very low40.8Very low126 Ų126141.6 Ų141.676%0.76479%0.786SS**  trans-67.2106.3166.4-179.60000108.3A269 D273A269-V271 VanDerWaalsContact C-N 3.3Å; A269-V271 PolarHBondContact O-N 3.43Å; V271-D273 PolarHBondContact O-N 2.86Å
272I45.4Very low40.7Very low126 Ų126145.1 Ų145.165%0.64680%0.798SS**  trans-85.189.7172.6-56.9-179.9000107.8F270 F274F270-I272 PolarHBondContact O-N 2.64Å; F270-I272 VanDerWaalsContact O-N 3.14Å; I272-F274 HydrophobicContact CB-CE2 4.3Å; I272-F274 HydrophobicContact CG2-CD2 4.12Å; I272-F274 HydrophobicContact CG2-CE1 4.5Å; I272-F274 HydrophobicContact CG2-CE2 3.59Å; I272-F274 HydrophobicContact CG2-CZ 3.82Å; I272-F274 WeakPolarHBondContact O-CD2 3.46Å; I272-F274 PolarHBondContact O-N 2.72Å
273D42.1Very low41Very low137 Ų137150.4 Ų150.473%0.73380%0.799SS**  trans-73.8115.4175-17812.3000110.7V271 G275V271-D273 PolarHBondContact O-N 2.86Å; D273-G275 PolarHBondContact O-N 3.04Å; D273-G275 VanDerWaalsContact O-N 3.09Å; D273-G275 PolarHBondContact OD1-N 2.96Å
274F40.9Very low41Very low185 Ų185149.2 Ų149.281%0.81179%0.794SS**  trans-85.546.9178.8-77.9-83.4000112.3I272 S276I272-F274 HydrophobicContact CB-CE2 4.3Å; I272-F274 HydrophobicContact CG2-CD2 4.12Å; I272-F274 HydrophobicContact CG2-CE1 4.5Å; I272-F274 HydrophobicContact CG2-CE2 3.59Å; I272-F274 HydrophobicContact CG2-CZ 3.82Å; I272-F274 WeakPolarHBondContact O-CD2 3.46Å; I272-F274 PolarHBondContact O-N 2.72Å; F274-S276 PolarHBondContact O-N 2.94Å
275G38.4Very low41Very low56 Ų56143.3 Ų143.358%0.57779%0.793SS**  trans-64.9113-179.600000113.9D273D273-G275 PolarHBondContact O-N 3.04Å; D273-G275 VanDerWaalsContact O-N 3.09Å; D273-G275 PolarHBondContact OD1-N 2.96Å
276S40.4Very low40.3Very low124 Ų124143.5 Ų143.587%0.86780%0.797SS**  trans-73.4136.9-177.975.10000113.9F274F274-S276 PolarHBondContact O-N 2.94Å
277S42.1Very low40.2Very low116 Ų116146.5 Ų146.581%0.81181%0.806SS**  trans-149.7154.9163.264.10000112.2
278K46.9Very low40.1Very low203 Ų203147.4 Ų147.488%0.88381%0.806SS**  trans-91.1145.8-159.8-68.7174.2179173.10113.7
279P38.7Very low40Very low131 Ų131143.4 Ų143.485%0.85181%0.807SS**  trans-79.8156.6-177.133.3-36.9000113.4
280R41.1Very low40.2Very low242 Ų242143.5 Ų143.591%0.91380%0.802SS**  trans-144.4128.7163.7-164.2170.7-177.3125.61.2112
281L42Very low40.4Very low159 Ų159143.4 Ų143.483%0.83281%0.809SS**  trans-24.8131.8178.3-79.754.9000117.4
282E39.8Very low40.7Very low198 Ų198141.5 Ų141.593%0.92580%0.801SS**  -158.6176100.1-105.5174.2-165.800111.5
283R42.9Very low41Very low237 Ų237144.2 Ų144.289%0.89481%0.811SS**  trans-143.2165.8-156.4-152-154.8165.1109.5-4.1111.2
284P40.2Very low41.5Very low108 Ų108143.3 Ų143.370%0.70181%0.814SS**  -118167.7-70.738.2-25.8000113.3
285A37.2Very low43.2Very low103 Ų103138.6 Ų138.685%0.85180%0.8SS**  trans-148.4155.7155.200000110.1
286S31.9Very low45.3Very low115 Ų115139.6 Ų139.680%0.80480%0.797SS**  trans-81.7143.3-174.845.10000113.6
287L40.4Very low47Very low178 Ų178139.8 Ų139.893%0.93279%0.787SS**  trans-163.9145.6151.9-109.7158.7000110.3
288S37.7Very low49Very low122 Ų122143 Ų14385%0.85379%0.787SS**  trans-88.1146.9-179-175.10000111.5
289G35.9Very low50.7Low73 Ų73138.5 Ų138.575%0.75377%0.772SS**  trans-141.8130.3177.900000111.4
290S39.8Very low53Low92 Ų92140.1 Ų140.164%0.64376%0.761SS**  trans-85.7136.3-167.155.10000114.1S292S290-S292 PolarHBondContact O-N 3.03Å; S290-S292 PolarHBondContact OG-OG 3.4Å
291L44.1Very low55.2Low181 Ų181134.3 Ų134.395%0.94874%0.744SS**SBendtrans-74.539.3-178.6-153.988.9000114
292S46.4Very low57.6Low85 Ų85128.9 Ų128.959%0.59473%0.727SS**  trans-107.615.2-16659.80000114.6S290S290-S292 PolarHBondContact O-N 3.03Å; S290-S292 PolarHBondContact OG-OG 3.4Å
293Q52.1Low60Low184 Ų184124.6 Ų124.686%0.8671%0.709SS**  trans-96.2-4.5-173.5-67.4-174-14.600114.7
294C53.2Low62.3Low117 Ų117117.5 Ų117.579%0.79169%0.689SS**  trans-102.618-171.3-55.10000115.3
295V74.9Confident64.8Low86 Ų86115 Ų11552%0.52167%0.669SS.*SBendtrans-107111.3175.1-177.60000110L299 R300V295-L299 HydrophobicContact CG1-CB 4.22Å; V295-R300 HydrophobicContact CG1-CB 4.24Å
296P84Confident67.4Low78 Ų78118.7 Ų118.751%0.50666%0.66SS.*  trans-51.1138.5174.8-30.335.3000113.3K298 L299 R300P296-K298 PolarHBondContact O-N 3.49Å; P296-K298 VanDerWaalsContact O-N 3.16Å; P296-L299 HydrophobicContact CB-CD1 4.43Å; P296-L299 HydrophobicContact CG-CD1 4.21Å; P296-L299 WeakPolarHBondContact O-CB 3.47Å; P296-L299 PolarHBondContact O-N 2.95Å; P296-R300 PolarHBondContact O-N 3.19Å
297L76.5Confident70.3Confident127 Ų127118.1 Ų118.167%0.66565%0.645SS**Hα-helixtrans-61.1-32.1-170.8-150151.6000112.7R300 Q301L297-R300 PolarHBondContact O-N 3.35Å; L297-Q301 HydrophobicContact CD2-CG 4.27Å; L297-Q301 WeakPolarHBondContact O-CG 3.5Å; L297-Q301 PolarHBondContact O-N 3.41Å
298K83.9Confident72.8Confident183 Ų183115.8 Ų115.880%0.79662%0.624SS**Hα-helixtrans-61.5-45.1169.8-73.2-173175.7-176.20113P296 Q301 G302P296-K298 PolarHBondContact O-N 3.49Å; P296-K298 VanDerWaalsContact O-N 3.16Å; K298-Q301 PolarHBondContact O-N 3.07Å; K298-G302 PolarHBondContact O-N 3.06Å
299L82.4Confident75.5Confident110 Ų110117.2 Ų117.258%0.57661%0.61SS**Hα-helixtrans-67.5-38.2179.2-74.3176.7000111.3V295 P296 G302 L303V295-L299 HydrophobicContact CG1-CB 4.22Å; P296-L299 HydrophobicContact CB-CD1 4.43Å; P296-L299 HydrophobicContact CG-CD1 4.21Å; P296-L299 WeakPolarHBondContact O-CB 3.47Å; P296-L299 PolarHBondContact O-N 2.95Å; L299-G302 PolarHBondContact O-N 2.89Å; L299-L303 WeakPolarHBondContact O-CG 3.42Å; L299-L303 PolarHBondContact O-N 3.16Å
300R86Confident78.3Confident164 Ų164118 Ų11862%0.61960%0.597SS**Hα-helixtrans-60.2-49.5173.5-171.8174.9177.61792.2111.7V295 P296 L297 G302 L303 D304V295-R300 HydrophobicContact CG1-CB 4.24Å; P296-R300 PolarHBondContact O-N 3.19Å; L297-R300 PolarHBondContact O-N 3.35Å; R300-G302 VanDerWaalsContact C-N 3.29Å; R300-G302 PolarHBondContact O-N 3.26Å; R300-L303 PolarHBondContact O-N 2.95Å; R300-D304 VanDerWaalsContact O-CG 3.23Å; R300-D304 PolarHBondContact O-N 2.83Å
301Q88Confident80.8Confident120 Ų120119.2 Ų119.256%0.56159%0.59SS**Hα-helixtrans-59.2-38174.9-73.7175.9-16.500112.8L297 K298 D304 E305L297-Q301 HydrophobicContact CD2-CG 4.27Å; L297-Q301 WeakPolarHBondContact O-CG 3.5Å; L297-Q301 PolarHBondContact O-N 3.41Å; K298-Q301 PolarHBondContact O-N 3.07Å; Q301-D304 PolarHBondContact O-N 3.49Å; Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 3.35Å
302G91.4Very high83.1Confident45 Ų45115.8 Ų115.846%0.46457%0.569SS.*Hα-helixtrans-65.5-36.7176.100000113.8K298 L299 R300 R306K298-G302 PolarHBondContact O-N 3.06Å; L299-G302 PolarHBondContact O-N 2.89Å; R300-G302 VanDerWaalsContact C-N 3.29Å; R300-G302 PolarHBondContact O-N 3.26Å; G302-R306 WeakPolarHBondContact O-CB 3.35Å; G302-R306 PolarHBondContact O-N 3Å; G302-R306 VanDerWaalsContact O-N 3.13Å
303L90.6Very high85.4Confident108 Ų108119.5 Ų119.557%0.56558%0.575SS**Hα-helixtrans-70.6-46.5173.5-69.4171.6000111.5L299 R300 E305 R306 E307L299-L303 WeakPolarHBondContact O-CG 3.42Å; L299-L303 PolarHBondContact O-N 3.16Å; R300-L303 PolarHBondContact O-N 2.95Å; L303-E305 VanDerWaalsContact C-N 3.35Å; L303-E305 PolarHBondContact O-N 3.09Å; L303-R306 PolarHBondContact O-N 3.27Å; L303-E307 PolarHBondContact O-N 3.05Å
304D92.5Very high87.1Confident89 Ų89117.2 Ų117.248%0.47656%0.564SS.*Hα-helixtrans-58-44.1178.9-66.1-26.4000111.4R300 Q301 R308R300-D304 VanDerWaalsContact O-CG 3.23Å; R300-D304 PolarHBondContact O-N 2.83Å; Q301-D304 PolarHBondContact O-N 3.49Å; D304-R308 PolarHBondContact O-N 2.72Å
305E91.8Very high88.7Confident56 Ų56116.3 Ų116.326%0.26255%0.551SS.*Hα-helixtrans-71.5-34.3176.7174.762.8-175.200112.9Q301 L303 R308 R309Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 3.35Å; L303-E305 VanDerWaalsContact C-N 3.35Å; L303-E305 PolarHBondContact O-N 3.09Å; E305-R308 PolarHBondContact O-N 3.41Å; E305-R308 IonicContact OE1-CZ 3.26Å; E305-R308 IonicContact OE1-NH2 3.65Å; E305-R308 PolarHBondContact OE1-NH2 3.06Å; E305-R308 IonicContact OE2-CZ 2.64Å; E305-R308 VanDerWaalsContact OE2-CZ 3.26Å; E305-R308 IonicContact OE2-NE 3.93Å; E305-R308 PolarHBondContact OE2-NE 3.19Å; E305-R308 IonicContact OE2-NH2 3.26Å; E305-R308 PolarHBondContact OE2-NH2 3.39Å; E305-R309 WeakPolarHBondContact O-CG 3.02Å; E305-R309 PolarHBondContact O-N 3.04Å; E305-R309 VanDerWaalsContact O-N 3.12Å; E305-R309 IonicContact OE1-CZ 2.72Å; E305-R309 IonicContact OE1-NE 2.96Å; E305-R309 PolarHBondContact OE1-NE 3.49Å; E305-R309 IonicContact OE1-NH2 2.94Å; E305-R309 PolarHBondContact OE1-NH2 2.99Å
306R91.4Very high89.1Confident179 Ų179117.5 Ų117.568%0.67555%0.551SS**Hα-helixtrans-62.9-45173.3-179.1-179.2-76.9-165.3-3.1110.8G302 L303 R309 I310G302-R306 WeakPolarHBondContact O-CB 3.35Å; G302-R306 PolarHBondContact O-N 3Å; G302-R306 VanDerWaalsContact O-N 3.13Å; L303-R306 PolarHBondContact O-N 3.27Å; R306-R309 PolarHBondContact O-N 3.47Å; R306-I310 HydrophobicContact CG-CD1 4.32Å; R306-I310 WeakPolarHBondContact O-CG1 3.42Å; R306-I310 PolarHBondContact O-N 3.02Å
307E92.9Very high89Confident104 Ų104118.1 Ų118.149%0.48655%0.553SS.*Hα-helixtrans-65.5-38.7177.6-153.3-156.8176.600111.7L303 R309 I310 K311L303-E307 PolarHBondContact O-N 3.05Å; E307-R309 PolarHBondContact O-N 3.43Å; E307-I310 PolarHBondContact O-N 3.08Å; E307-K311 VanDerWaalsContact CD-CE 3.48Å; E307-K311 WeakPolarHBondContact O-CG 3.24Å; E307-K311 PolarHBondContact O-N 3.15Å; E307-K311 VanDerWaalsContact O-N 3.08Å; E307-K311 WeakPolarHBondContact OE1-CE 3.36Å; E307-K311 IonicContact OE1-NZ 3.22Å; E307-K311 PolarHBondContact OE1-NZ 3.12Å; E307-K311 IonicContact OE2-NZ 2.7Å; E307-K311 PolarHBondContact OE2-NZ 3.43Å
308R94.1Very high89.2Confident129 Ų129119.3 Ų119.349%0.48755%0.553SS.*Hα-helixtrans-57.2-46175-164.1177.472.279.66.5111.9D304 E305 K311 E312D304-R308 PolarHBondContact O-N 2.72Å; E305-R308 PolarHBondContact O-N 3.41Å; E305-R308 IonicContact OE1-CZ 3.26Å; E305-R308 IonicContact OE1-NH2 3.65Å; E305-R308 PolarHBondContact OE1-NH2 3.06Å; E305-R308 IonicContact OE2-CZ 2.64Å; E305-R308 VanDerWaalsContact OE2-CZ 3.26Å; E305-R308 IonicContact OE2-NE 3.93Å; E305-R308 PolarHBondContact OE2-NE 3.19Å; E305-R308 IonicContact OE2-NH2 3.26Å; E305-R308 PolarHBondContact OE2-NH2 3.39Å; R308-K311 PolarHBondContact O-N 2.92Å; R308-E312 IonicContact NH1-OE2 2.86Å; R308-E312 WeakPolarHBondContact O-CB 3.12Å; R308-E312 PolarHBondContact O-N 3.37Å
309R94.2Very high88.8Confident151 Ų151117.2 Ų117.257%0.5754%0.544SS*.Hα-helixtrans-66.9-33.9178.8-69.1177.6-170.1-168.94.7113.4E305 R306 E307 E312 K313E305-R309 WeakPolarHBondContact O-CG 3.02Å; E305-R309 PolarHBondContact O-N 3.04Å; E305-R309 VanDerWaalsContact O-N 3.12Å; E305-R309 IonicContact OE1-CZ 2.72Å; E305-R309 IonicContact OE1-NE 2.96Å; E305-R309 PolarHBondContact OE1-NE 3.49Å; E305-R309 IonicContact OE1-NH2 2.94Å; E305-R309 PolarHBondContact OE1-NH2 2.99Å; R306-R309 PolarHBondContact O-N 3.47Å; E307-R309 PolarHBondContact O-N 3.43Å; R309-E312 PolarHBondContact O-N 3.27Å; R309-K313 PolarHBondContact O-N 2.95Å
310I93.3Very high88.1Confident91 Ų91119 Ų11947%0.46755%0.549SS..Hα-helixtrans-66-46.3174.9-67.6167.1000110.2R306 E307 E312 K313 Q314R306-I310 HydrophobicContact CG-CD1 4.32Å; R306-I310 WeakPolarHBondContact O-CG1 3.42Å; R306-I310 PolarHBondContact O-N 3.02Å; E307-I310 PolarHBondContact O-N 3.08Å; I310-E312 VanDerWaalsContact C-N 3.32Å; I310-E312 PolarHBondContact O-N 3.21Å; I310-K313 PolarHBondContact O-N 3.14Å; I310-Q314 PolarHBondContact O-N 3.37Å
311K94.2Very high86.8Confident116 Ų116115.8 Ų115.850%0.50455%0.552SS.*Hα-helixtrans-62-38.6176.5-70.6169.6-178.7166.40112E307 R308 L315E307-K311 VanDerWaalsContact CD-CE 3.48Å; E307-K311 WeakPolarHBondContact O-CG 3.24Å; E307-K311 PolarHBondContact O-N 3.15Å; E307-K311 VanDerWaalsContact O-N 3.08Å; E307-K311 WeakPolarHBondContact OE1-CE 3.36Å; E307-K311 IonicContact OE1-NZ 3.22Å; E307-K311 PolarHBondContact OE1-NZ 3.12Å; E307-K311 IonicContact OE2-NZ 2.7Å; E307-K311 PolarHBondContact OE2-NZ 3.43Å; R308-K311 PolarHBondContact O-N 2.92Å; K311-L315 WeakPolarHBondContact O-CB 3.24Å; K311-L315 PolarHBondContact O-N 3.16Å
312E92.2Very high85Confident109 Ų109115.4 Ų115.451%0.50956%0.558SS.*Hα-helixtrans-64.6-47.9176.4-170.3155.6-142.100112.2R308 R309 I310 Q314 L315 E316R308-E312 IonicContact NH1-OE2 2.86Å; R308-E312 WeakPolarHBondContact O-CB 3.12Å; R308-E312 PolarHBondContact O-N 3.37Å; R309-E312 PolarHBondContact O-N 3.27Å; I310-E312 VanDerWaalsContact C-N 3.32Å; I310-E312 PolarHBondContact O-N 3.21Å; E312-Q314 PolarHBondContact O-N 3.4Å; E312-L315 WeakPolarHBondContact O-CB 3.29Å; E312-L315 PolarHBondContact O-N 3.46Å; E312-E316 PolarHBondContact O-N 2.76Å
313K93.4Very high82.6Confident163 Ų163118.7 Ų118.771%0.70957%0.573SS**Hα-helixtrans-61-42.8174.9-76.8-169.7174-170.20113R309 I310 L315 E316 V317R309-K313 PolarHBondContact O-N 2.95Å; I310-K313 PolarHBondContact O-N 3.14Å; K313-L315 VanDerWaalsContact C-N 3.29Å; K313-L315 PolarHBondContact O-N 2.8Å; K313-E316 PolarHBondContact O-N 3.13Å; K313-V317 PolarHBondContact O-N 3.18Å; K313-V317 VanDerWaalsContact O-N 3.08Å
314Q88.3Confident80.1Confident136 Ų136117 Ų11764%0.63658%0.582SS**Hα-helixtrans-63.1-36.2175.9-72.9-170.712.100112.3I310 E312 K318I310-Q314 PolarHBondContact O-N 3.37Å; E312-Q314 PolarHBondContact O-N 3.4Å; Q314-K318 VanDerWaalsContact O-CB 3.31Å; Q314-K318 WeakPolarHBondContact O-CB 3.41Å; Q314-K318 PolarHBondContact O-N 2.98Å
315L87.4Confident77.6Confident99 Ų99120.7 Ų120.752%0.51860%0.599SS.*Hα-helixtrans-68-36.1176.6-162.377.2000112.1K311 E312 K313 K319K311-L315 WeakPolarHBondContact O-CB 3.24Å; K311-L315 PolarHBondContact O-N 3.16Å; E312-L315 WeakPolarHBondContact O-CB 3.29Å; E312-L315 PolarHBondContact O-N 3.46Å; K313-L315 VanDerWaalsContact C-N 3.29Å; K313-L315 PolarHBondContact O-N 2.8Å; L315-K319 VanDerWaalsContact O-CG 3.28Å; L315-K319 WeakPolarHBondContact O-CG 3.36Å; L315-K319 PolarHBondContact O-N 3.1Å
316E82.7Confident75.2Confident111 Ų111124.9 Ų124.952%0.51963%0.628SS.*Hα-helixtrans-65.4-50.4174.9-174.1116.1-117.400111.9E312 K313 K318 K319 Q320E312-E316 PolarHBondContact O-N 2.76Å; K313-E316 PolarHBondContact O-N 3.13Å; E316-K318 VanDerWaalsContact C-N 3.29Å; E316-K318 PolarHBondContact O-N 3.49Å; E316-K319 WeakPolarHBondContact O-CB 3.41Å; E316-K319 PolarHBondContact O-N 3.07Å; E316-K319 VanDerWaalsContact O-N 3.09Å; E316-Q320 PolarHBondContact O-N 3.26Å; E316-Q320 VanDerWaalsContact O-N 3.07Å
317V82.5Confident73Confident91 Ų91121.8 Ų121.855%0.55263%0.625SS**Hα-helixtrans-56.3-45.7175.3174.80000110.4K313 K319 Q320 S321K313-V317 PolarHBondContact O-N 3.18Å; K313-V317 VanDerWaalsContact O-N 3.08Å; V317-K319 VanDerWaalsContact C-N 3.32Å; V317-K319 PolarHBondContact O-N 3.35Å; V317-Q320 PolarHBondContact O-N 3.05Å; V317-Q320 VanDerWaalsContact O-N 3.13Å; V317-S321 PolarHBondContact O-N 3.02Å; V317-S321 PolarHBondContact O-OG 3.15Å; V317-S321 VanDerWaalsContact O-OG 3.12Å
318K79.7Confident70.7Confident151 Ų151121.7 Ų121.766%0.65762%0.623SS**Hα-helixtrans-64.8-31.4178.6-165.1165.5-173.2168.10113.5Q314 E316 T322Q314-K318 VanDerWaalsContact O-CB 3.31Å; Q314-K318 WeakPolarHBondContact O-CB 3.41Å; Q314-K318 PolarHBondContact O-N 2.98Å; E316-K318 VanDerWaalsContact C-N 3.29Å; E316-K318 PolarHBondContact O-N 3.49Å; K318-T322 PolarHBondContact O-OG1 2.95Å
319K75.2Confident68.2Low140 Ų140120.6 Ų120.661%0.60963%0.626SS**Hα-helixtrans-66.9-42.1171.6-76.9166.8-177.6171.80111.7L315 E316 V317L315-K319 VanDerWaalsContact O-CG 3.28Å; L315-K319 WeakPolarHBondContact O-CG 3.36Å; L315-K319 PolarHBondContact O-N 3.1Å; E316-K319 WeakPolarHBondContact O-CB 3.41Å; E316-K319 PolarHBondContact O-N 3.07Å; E316-K319 VanDerWaalsContact O-N 3.09Å; V317-K319 VanDerWaalsContact C-N 3.32Å; V317-K319 PolarHBondContact O-N 3.35Å
320Q68.7Low65.6Low147 Ų147118.4 Ų118.469%0.68763%0.63SS**Hα-helixtrans-67.8-43.4178.9-64.3-174.417.800111.9E316 V317 T322E316-Q320 PolarHBondContact O-N 3.26Å; E316-Q320 VanDerWaalsContact O-N 3.07Å; V317-Q320 PolarHBondContact O-N 3.05Å; V317-Q320 VanDerWaalsContact O-N 3.13Å; Q320-T322 VanDerWaalsContact C-N 3.26Å; Q320-T322 PolarHBondContact O-N 2.91Å
321S57.7Low63Low97 Ų97120.3 Ų120.368%0.67865%0.646SS**THydrogen-bonded Turntrans-70.5-8.8-176.1-54.60000116V317V317-S321 PolarHBondContact O-N 3.02Å; V317-S321 PolarHBondContact O-OG 3.15Å; V317-S321 VanDerWaalsContact O-OG 3.12Å
322T51.8Low60.2Low112 Ų112118.7 Ų118.769%0.68765%0.646SS**THydrogen-bonded Turntrans-106.315-171.4-40.80000113.7K318 Q320K318-T322 PolarHBondContact O-OG1 2.95Å; Q320-T322 VanDerWaalsContact C-N 3.26Å; Q320-T322 PolarHBondContact O-N 2.91Å
323S40.6Very low57.5Low113 Ų113119.8 Ų119.879%0.7966%0.66SS**SBendtrans-110.169.3-172-176.40000115.4
324G37.2Very low54.7Low73 Ų73119.7 Ų119.775%0.75366%0.664SS**  trans121.893.5146.500000118.9
325M40Very low52Low166 Ų166117.4 Ų117.482%0.81866%0.663SS**  trans-143100.6160.3-86.6-172.964.300112.2
326V40.9Very low49.5Very low145 Ų145119.6 Ų119.688%0.87968%0.675SS**  trans-140.772158.8-167.60000111.6
327N46.9Very low47.2Very low114 Ų114119.1 Ų119.161%0.6168%0.684SS**  41.9132.6126.1-94.5-23.9000123.6
328K43Very low44.9Very low101 Ų101123.3 Ų123.344%0.43970%0.695SS.*  92.1105.3127.2-73.6178177.7-177.70122.8T389K328-T389 WeakPolarHBondContact CD-O 3.46Å; K328-T389 PolarHBondContact NZ-O 3.41Å; K328-T389 PolarHBondContact NZ-OG1 3.47Å
329N41.5Very low42.7Very low106 Ų106124.6 Ų124.657%0.56770%0.701SS**  118.9106.197.4-84.610.6000123T388N329-T388 PolarHBondContact ND2-O 3.08Å
330T40.9Very low40.7Very low106 Ų106122 Ų12265%0.6570%0.7SS**  86.5152.5116.3-38.10000122
331V37.6Very low38.9Very low130 Ų130121 Ų12179%0.78870%0.704SS**  trans80.2142.3167.6-162.20000116.6
332T37.1Very low37.9Very low82 Ų82121.8 Ų121.850%0.50371%0.705SS.*  -177.2139.9-65.2-82.90000108.1
333T35.4Very low37Very low132 Ų132122.2 Ų122.281%0.8171%0.708SS**  trans62.1164.9172.447.50000116.6
334M34.2Very low36.9Very low161 Ų161123.7 Ų123.779%0.79371%0.712SS**  cis-134.1145.110.8-112.9-150.7-66.700113.4
335S31.2Very low36.7Very low89 Ų89129.5 Ų129.562%0.62272%0.717SS**  trans57.6139.2130.2-50.60000124
336N35.9Very low36.4Very low145 Ų145127.1 Ų127.178%0.77572%0.717SS**  trans7785.1139.6-64.20.1000121.8
337S32.7Very low36Very low100 Ų100130.9 Ų130.970%0.69972%0.715SS**  86.4141.510476.60000122.3
338K34.7Very low35.3Very low180 Ų180131 Ų13178%0.78372%0.72SS**  trans89.6141.7131.1-101.5175.2-178.7179.40120.4
339F34Very low35Very low178 Ų178133.3 Ų133.378%0.78174%0.737SS**  trans67.1102.1166.2-78.2-89.7000120.8
340S33.1Very low34.6Very low85 Ų85135.1 Ų135.159%0.59474%0.744SS**  77.1107.3118.1-67.70000123.3
341T31.7Very low34.3Very low126 Ų126136 Ų13677%0.77375%0.745SS**  75174.7118.9-39.70000117.9
342T34.9Very low34.3Very low114 Ų114137.4 Ų137.470%0.69974%0.743SS**  trans64.793171.439.50000117.6
343T33.4Very low34.3Very low121 Ų121140 Ų14074%0.74275%0.752SS**  33122.3121.254.90000119.2
344T37.8Very low34.5Very low144 Ų144142.4 Ų142.488%0.88375%0.754SS**  -157.7150110.66.80000112.4
345K33.9Very low34.5Very low195 Ų195142.9 Ų142.985%0.84875%0.752SS**  trans-74.5140159.7-55.6170-177.1174.50107.6
346S33.3Very low35Very low116 Ų116143.8 Ų143.881%0.81175%0.754SS**  179.2146.7128.3-87.60000115.9
347R33.8Very low35.3Very low223 Ų223145 Ų14584%0.84276%0.755SS**  trans9.6122.8144.7-78177.5161164.2-5.3119.8
348T32.2Very low35.5Very low117 Ų117143.8 Ų143.872%0.71875%0.746SS**  17.6106.8114.557.90000118.3
349N36.6Very low35.7Very low150 Ų150146.1 Ų146.180%0.80275%0.75SS**  -158.5127.1117.1-93.9-23.2000107.2
350M31.6Very low36Very low144 Ų144139.7 Ų139.771%0.70973%0.733SS**  66.791.564.8-67.5-84-74.800113
351N36.4Very low36.4Very low125 Ų125139.8 Ų139.867%0.66874%0.739SS**  trans83.9153.3132.6-59.4-2.3000122.2
352E37.5Very low36.7Very low158 Ų158138.6 Ų138.674%0.73874%0.736SS**  trans75.276.9148.3-77.9169.2108.200122
353I36.4Very low37.1Very low136 Ų136141.7 Ų141.770%0.69775%0.747SS**  45.999103.1-53.5164.2000116.2K355I353-K355 HydrophobicContact CG2-CB 4.49Å
354Q38.5Very low37.5Very low183 Ų183142 Ų14286%0.85575%0.754SS**  trans-132.8126.3141.1-59-177.628.600105.9
355K35.5Very low37.6Very low172 Ų172139 Ų13975%0.74874%0.744SS**  cis81.358.626.4-156.3-156.7173.4-178.20115.4I353I353-K355 HydrophobicContact CG2-CB 4.49Å
356T40.9Very low37.8Very low107 Ų107139 Ų13966%0.65674%0.744SS**  trans-146.2118.5161.931.40000111.2
357H41.9Very low38Very low172 Ų172137.2 Ų137.280%0.79674%0.744SS**  trans59.4150.7148.8-54-51.3000119.4
358S38.2Very low38.7Very low73 Ų73131.1 Ų131.151%0.5174%0.736SS.*  cis-171.9160.3-15.751.20000109.2
359R38Very low39.3Very low230 Ų230129.8 Ų129.887%0.86873%0.727SS**  trans48.4112.8157.8-64.7166.3171.2168.7-5115.8
360G39.7Very low39.5Very low42 Ų42128.9 Ų128.943%0.43373%0.727SS.*  cis137.4162.739.400000108.3N382G360-N382 PolarHBondContact O-OD1 3.18Å
361A42.4Very low39.7Very low87 Ų87129.2 Ų129.272%0.71972%0.72SS**  trans66.5132.3-158.200000113.5
362S37.2Very low39.3Very low101 Ų101129.3 Ų129.371%0.70673%0.725SS**  cis-150.1132.7-14.352.30000111.3
363L44.3Very low38.7Very low179 Ų179123.3 Ų123.394%0.93770%0.698SS**  trans50.263.4156.2-57.2177.1000117.8
364S41.8Very low38.6Very low128 Ų128121.9 Ų121.990%0.89570%0.696SS**  trans-114.5102.4151.7-173.90000110
365A40.2Very low38.8Very low80 Ų80117.8 Ų117.866%0.66169%0.694SS**  trans-162.9131.7179.100000109.5
366K38.2Very low38.9Very low196 Ų196113.4 Ų113.485%0.85268%0.682SS**  cis-135.8147.8-10.2-84.6136.9-176.7175.30105.7
367G37.3Very low38.8Very low78 Ų78112.3 Ų112.380%0.80468%0.678SS**  78.657.451.700000110.1
368S47.8Very low38.8Very low96 Ų96109.1 Ų109.167%0.67167%0.667SS**  trans-148.266.1171.7-170.20000112.9V370S368-V370 VanDerWaalsContact C-N 3.3Å; S368-V370 PolarHBondContact OG-N 3.12Å
369T45.1Very low39.2Very low89 Ų89111.6 Ų111.655%0.54667%0.673SS.*  -71.4105.1111.818.80000106.2R371 N373T369-R371 WeakPolarHBondContact O-CG 3.44Å; T369-R371 PolarHBondContact O-N 2.98Å; T369-N373 VanDerWaalsContact CB-ND2 3.3Å; T369-N373 WeakPolarHBondContact CB-ND2 3.47Å; T369-N373 PolarHBondContact OG1-ND2 3.07Å
370V40.5Very low39.6Very low131 Ų131105.3 Ų105.379%0.79466%0.661SS**  trans-82.176.6135.31790000103.7S368S368-V370 VanDerWaalsContact C-N 3.3Å; S368-V370 PolarHBondContact OG-N 3.12Å
371R36.5Very low40Very low150 Ų150107.5 Ų107.557%0.56667%0.669SS**SBend93.1147.375.3-85-136.8160.5-175.7-18.3107.5T369 N373 T376T369-R371 WeakPolarHBondContact O-CG 3.44Å; T369-R371 PolarHBondContact O-N 2.98Å; R371-N373 HydrophobicContact CG-CB 4.1Å; R371-N373 PolarHBondContact NE-OD1 3.13Å; R371-N373 PolarHBondContact NH2-OD1 3.34Å; R371-T376 PolarHBondContact NH2-OG1 3.03Å
372T28.5Very low40.1Very low127 Ų127108 Ų10878%0.77966%0.66SS**SBendcis-109.4107.69.9-166.40000109.8
373N24.5Very low40.2Very low32 Ų32109.1 Ų109.117%0.17166%0.662CS.*  59.392.385.9-82.6-150.6000111.1T369 R371 T376T369-N373 VanDerWaalsContact CB-ND2 3.3Å; T369-N373 WeakPolarHBondContact CB-ND2 3.47Å; T369-N373 PolarHBondContact OG1-ND2 3.07Å; R371-N373 HydrophobicContact CG-CB 4.1Å; R371-N373 PolarHBondContact NE-OD1 3.13Å; R371-N373 PolarHBondContact NH2-OD1 3.34Å; N373-T376 PolarHBondContact OD1-OG1 3.44Å
374T34.9Very low40.3Very low106 Ų106106.9 Ų106.965%0.6566%0.656SS**SBendcis58.693.533.5-25.70000110.5
375A42.5Very low39.9Very low97 Ų97104.3 Ų104.380%0.80264%0.643SS**  trans49.3-140.8166.200000113.7
376T36.8Very low39.6Very low81 Ų81106.5 Ų106.550%0.49765%0.648SS.*  trans59101-179.864.90000114.3R371 N373R371-T376 PolarHBondContact NH2-OG1 3.03Å; N373-T376 PolarHBondContact OD1-OG1 3.44Å
377S39.4Very low39.5Very low83 Ų83102.5 Ų102.558%0.5864%0.64SS**  cis-167.6172.58.248.70000110.6
378N40.6Very low39.6Very low105 Ų105102.6 Ų102.656%0.56163%0.625SS**  172.2153.7113.5-76-21.1000109.9
379I48Very low39Very low125 Ų125101.4 Ų101.464%0.64161%0.614SS**  cis-178.2146.3-40.9-110.4168.3000106.6
380T46.5Very low38.5Very low99 Ų99102.6 Ų102.661%0.60762%0.621SS**  trans65.2157.9173.830.10000117.7
381S46.1Very low38.2Very low87 Ų87102.9 Ų102.961%0.60862%0.623SS**  cis-163.51564.330.90000114.1
382N45.6Very low38.1Very low99 Ų99101.6 Ų101.653%0.52964%0.637SS.*  trans51.3111.5149.1-503.1000119.6G360G360-N382 PolarHBondContact O-OD1 3.18Å
383V40.1Very low38.3Very low124 Ų12499.5 Ų99.575%0.75264%0.641SS**  89.111162.7169.20000115.6
384T44.7Very low38.5Very low132 Ų132109.1 Ų109.181%0.8168%0.675SS**  trans174.4145.8138.2-73.90000111.2
385A33.8Very low38.2Very low74 Ų74108.9 Ų108.961%0.61268%0.677SS**  trans50.797.1169.300000118.2
386T33.7Very low37.7Very low125 Ų125109.1 Ų109.177%0.76767%0.673SS**  52121.687.964.30000113.9
387T35.9Very low37.6Very low112 Ų112111.2 Ų111.269%0.68769%0.691SS**  cis-161.8-176.74.4-3.40000107.9
388T40.6Very low37.5Very low80 Ų80112.5 Ų112.549%0.49170%0.695SS.*  cis-145.31753.20.20000105.6N329N329-T388 PolarHBondContact ND2-O 3.08Å
389T35.8Very low37.6Very low72 Ų72112.9 Ų112.944%0.44270%0.702SS.*  cis-155.5131.67.53.10000103.6K328K328-T389 WeakPolarHBondContact CD-O 3.46Å; K328-T389 PolarHBondContact NZ-O 3.41Å; K328-T389 PolarHBondContact NZ-OG1 3.47Å
390T33.5Very low37.3Very low114 Ų114113.9 Ų113.970%0.69971%0.707SS**  cis60.4144.739.377.60000113.2
391T33.9Very low37Very low136 Ų136114.5 Ų114.583%0.83471%0.706SS**  cis-12613115.2430000115
392S35.4Very low36.8Very low123 Ų123118.8 Ų118.886%0.8671%0.714SS**  trans-126.3147.3140.966.10000107.8
393G32.9Very low36.4Very low83 Ų83123.7 Ų123.786%0.85673%0.731SS**  trans88.7104.4175.300000116.5
394R27.1Very low36.5Very low235 Ų235123 Ų12389%0.88773%0.729SS**  trans-142129.3140.8-179.6167.4171.2171.2-5.3108.2
395S29Very low36.1Very low100 Ų100125.1 Ų125.170%0.69973%0.73SS**  trans27.9128.4150-53.60000119.6
396S31.7Very low36.5Very low102 Ų102127.3 Ų127.371%0.71374%0.735SS**  cis-157136.912.1-75.30000112.5
397S35.5Very low36.7Very low125 Ų125126.7 Ų126.787%0.87473%0.731SS**  trans-140.176.1142-167.90000108.9T399S397-T399 PolarHBondContact O-N 3.41Å
398T38.2Very low36.6Very low110 Ų110129 Ų12968%0.67574%0.737SS**  trans-62.8119.8162.542.40000108.4
399T40.7Very low36.7Very low113 Ų113132 Ų13269%0.69376%0.755SS**  trans53.1117.2141.1-21.90000115.2S397S397-T399 PolarHBondContact O-N 3.41Å
400I42.2Very low36.9Very low147 Ų147137.6 Ų137.675%0.75477%0.773SS**  -167.5122.787.4-94.3165.2000111
401N40.5Very low37.3Very low111 Ų111138.9 Ų138.959%0.59478%0.775SS**  trans46.7128.9139.2-72-67000123.4
402K42.3Very low37.7Very low177 Ų177136.2 Ų136.277%0.7776%0.755SS**  80.3105.5126.2-68.1168.9-1701690120.3
403K37.1Very low38.1Very low202 Ų202136 Ų13688%0.87874%0.739SS**  89.6145.7126.9-87-164.5168.5-169.30118.7
404P41.5Very low38.4Very low110 Ų110136.1 Ų136.171%0.71471%0.714SS**  trans-98.4173.5179.441.3-36.4000111.9
405Q37.6Very low39.2Very low177 Ų177129.9 Ų129.983%0.82770%0.697SS**  -172.9151.8123.1-111-173.5-46.600113.4
406V42.6Very low39.8Very low120 Ų120127.5 Ų127.573%0.72768%0.678SS**  trans68.7144.2141166.70000118.4
407T36.6Very low40Very low111 Ų111126.5 Ų126.568%0.68167%0.671SS**  cis-163.8156.3-24.8-880000108
408M33.5Very low40Very low162 Ų162129.8 Ų129.880%0.79867%0.67SS**  trans-20142.5160.6-50.9-65.7177.800116.8
409T42.2Very low40.1Very low142 Ų142128.9 Ų128.987%0.87167%0.666SS**  -165160.4103.7150000115
410K41.6Very low39.7Very low189 Ų189130.1 Ų130.182%0.82267%0.668SS**  trans-57.7166.3169.9-50.2166.7-177.3175.50109.8
411L40.8Very low39.3Very low142 Ų142128.4 Ų128.474%0.74367%0.669SS**  cis-168.1125.437.3-172.266.6000113.2
412D42.4Very low38.8Very low79 Ų79128 Ų12842%0.42268%0.675SS.*  trans8.9125.8132.5-171.725.1000119R1427D412-R1427 VanDerWaalsContact CG-NH2 3.33Å; D412-R1427 IonicContact OD1-NH2 2.97Å; D412-R1427 PolarHBondContact OD1-NH2 3.1Å; D412-R1427 IonicContact OD2-CZ 2.7Å; D412-R1427 IonicContact OD2-NH1 3.35Å; D412-R1427 PolarHBondContact OD2-NH1 3.22Å; D412-R1427 IonicContact OD2-NH2 2.69Å; D412-R1427 PolarHBondContact OD2-NH2 3.16Å
413K44.3Very low38.5Very low120 Ų120126.6 Ų126.652%0.52268%0.675SS.*  145.275.5129.7-73.3179.6-170.71690120K1425K413-K1425 PolarHBondContact O-NZ 2.8Å
414R39.7Very low38.3Very low85 Ų85126.3 Ų126.332%0.32167%0.669SS.*  66.1169.796.7-152.9-177.5176.7-102.82116.2K1425 S1426 R1427R414-K1425 HydrophobicContact CB-CB 4.44Å; R414-K1425 HydrophobicContact CB-CD 4.29Å; R414-K1425 HydrophobicContact CB-CG 3.38Å; R414-K1425 HydrophobicContact CG-CB 3.98Å; R414-K1425 HydrophobicContact CG-CG 3.29Å; R414-K1425 PolarHBondContact O-NZ 2.62Å; R414-S1426 VanDerWaalsContact NH1-C 3.25Å; R414-S1426 PolarHBondContact NH1-O 3.24Å; R414-S1426 PolarHBondContact NH2-O 2.83Å; R414-R1427 VanDerWaalsContact NH1-CB 3.26Å
415I43.3Very low38.1Very low103 Ų103127 Ų12753%0.52867%0.671SS.*  trans99.4100.6178.9-135.2169.3000114I1423 K1425I415-I1423 CarbonylContact C-O 2.98Å; I415-I1423 WeakPolarHBondContact O-CG2 3.44Å; I415-K1425 HydrophobicContact CB-CB 3.83Å; I415-K1425 HydrophobicContact CB-CD 3.7Å; I415-K1425 HydrophobicContact CB-CG 3.84Å; I415-K1425 HydrophobicContact CD1-CD 4.04Å; I415-K1425 HydrophobicContact CG1-CB 3.85Å; I415-K1425 HydrophobicContact CG1-CD 3.97Å; I415-K1425 HydrophobicContact CG1-CG 4.26Å; I415-K1425 VanDerWaalsContact N-CG 3.3Å
416T42.5Very low37.9Very low50 Ų50122.5 Ų122.531%0.30767%0.672SS.*  49.6135.178.135.40000113.4I1423 C1424 K1425T416-I1423 PolarHBondContact N-O 3.17Å; T416-C1424 HydrophobicContact CG2-CB 3.47Å; T416-C1424 VanDerWaalsContact CG2-CB 3.47Å; T416-K1425 WeakPolarHBondContact CG2-O 3.46Å; T416-K1425 PolarHBondContact OG1-N 3.48Å; T416-K1425 PolarHBondContact OG1-O 3.13Å
417S35.2Very low37.7Very low82 Ų82127.9 Ų127.957%0.57368%0.679SS**  cis-177.8165.1-6.945.50000111.4
418K35.8Very low37.9Very low193 Ų193128.2 Ų128.284%0.83968%0.681SS**  trans67.6166.1150.2-81.3-173.8173.2-167.70114.6
419P41Very low37.9Very low91 Ų91127.1 Ų127.159%0.59168%0.678SS**  -138.4-157.3-54.841.3-23.8000110.3
420D32.2Very low37.6Very low139 Ų139125.3 Ų125.374%0.74367%0.67SS**  trans35.9118.2144.5-46.7-28.4000119.3
421S32.5Very low37.4Very low112 Ų112120.7 Ų120.778%0.78367%0.667SS**  -173.8149.493.939.10000114.5
422S31.2Very low37.3Very low103 Ų103119.6 Ų119.672%0.7267%0.666SS**  trans-0.4120.8159.558.40000119.8
423L34.8Very low36.9Very low146 Ų146122.6 Ų122.676%0.76468%0.683SS**  -166.2156.1123-85-149000108.1
424R32.7Very low36.3Very low197 Ų197123 Ų12374%0.74369%0.689SS**  cis-176.4146.9-25.3-156.8-170.4-159.4148.1-1.1107.4
425T37.6Very low35.9Very low124 Ų124123.1 Ų123.176%0.76170%0.7SS**  trans42.8110.6155.645.50000119.2
426G34.1Very low35.1Very low82 Ų82122.8 Ų122.885%0.84571%0.707SS**  trans-71.9163.1172.800000115
427R39Very low34.3Very low233 Ų233127.3 Ų127.388%0.87973%0.729SS**  trans-157.491.7173.3-157177.4-164.8173.14.8113.8
428V39.4Very low33.8Very low118 Ų118127.7 Ų127.772%0.71573%0.732SS**  trans24.5119.4136.4-175.80000118.9
429D33.7Very low33.6Very low140 Ų140123.7 Ų123.775%0.74972%0.724SS**  trans77.6119.3145.6-60.6-1.7000125.2
430C36.9Very low33Very low103 Ų103126.6 Ų126.670%0.69673%0.734SS**  trans81.495.6130.1-68.20000123.8
431A37.2Very low33.2Very low92 Ų92123.7 Ų123.776%0.7673%0.73SS**  81.2148.8117.800000123.6
432T37.6Very low33.4Very low119 Ų119122.5 Ų122.573%0.7372%0.721SS**  trans86.2102.9152.5-36.70000120.8
433N33.6Very low33.6Very low143 Ų143126 Ų12677%0.76572%0.719SS**  trans53.8143141.7-66.4-29.4000124.8
434L33.3Very low33.7Very low127 Ų127122 Ų12267%0.66570%0.703SS**  trans77.7148.4145.9-77.5163.2000121.8
435T30.4Very low33.8Very low88 Ų88116.6 Ų116.654%0.5469%0.689SS.*  trans66.9118.7157.334.40000121.2
436S25.6Very low33.7Very low97 Ų97116.4 Ų116.468%0.67868%0.683SS**  42.9142.9117.7-48.90000122.2
437N26.2Very low33.9Very low145 Ų145118 Ų11878%0.77568%0.676SS**  trans71.1119.3157.8-66.2-5.6000115
438S25.7Very low33.6Very low90 Ų90112.2 Ų112.263%0.62966%0.663SS**  78.9142.779.998.20000113.6
439T30.7Very low33.5Very low109 Ų109116.2 Ų116.267%0.66967%0.665SS**  trans1.7141.7145.551.40000119
440N29.6Very low33.7Very low152 Ų152113.6 Ų113.681%0.81366%0.657SS**  trans78.8160.4173.3-42.9-57.6000114.4
441A34.6Very low33.9Very low78 Ų78120 Ų12065%0.64567%0.667SS**  cis-175.9166-35.800000108
442S37.3Very low33.8Very low86 Ų86118.7 Ų118.760%0.60166%0.662SS**  trans67.7171.5154.2-67.40000117.2N824S442-N824 CarbonylContact C-O 3.55Å
443R36.3Very low33.7Very low177 Ų177124.1 Ų124.167%0.66867%0.669SS**  cis-165.5148.2-26.3-107168.2155.1-167-6.4111.3N824 R825R443-N824 WeakPolarHBondContact CA-O 3.5Å; R443-N824 PolarHBondContact N-O 3Å; R443-R825 CarbonylContact C-O 2.99Å; R443-R825 WeakPolarHBondContact CA-O 3.45Å; R443-R825 PolarHBondContact N-O 3.28Å
444S36.3Very low33.7Very low63 Ų63122.5 Ų122.544%0.44166%0.66SS.*  trans68.815415086.20000118.2N824 R825 R826S444-N824 PolarHBondContact N-OD1 3.3Å; S444-R825 WeakPolarHBondContact O-CB 3.42Å; S444-R826 VanDerWaalsContact O-CB 3.22Å; S444-R826 WeakPolarHBondContact O-CB 3.47Å
445N35Very low33.8Very low82 Ų82124.9 Ų124.944%0.43967%0.665SS.*  cis-140.3168.7-18.9-1573.2000109.9R825N445-R825 PolarHBondContact OD1-NH1 3.08Å; N445-R825 VanDerWaalsContact OD1-NH1 3.13Å; N445-R825 PolarHBondContact OD1-NH2 3.2Å; N445-R825 VanDerWaalsContact OD1-NH2 3.16Å
446L36.3Very low33.8Very low121 Ų121124.6 Ų124.663%0.63467%0.667SS**  trans69.9144.2162.5-58.9168.9000117.5R825L446-R825 VanDerWaalsContact N-NH2 3.11Å
447T37.5Very low34Very low115 Ų115127.9 Ų127.971%0.70667%0.671SS**  cis-174.7159.5-27.98.10000106
448D32.6Very low34.1Very low112 Ų112126.3 Ų126.360%0.59967%0.667SS**  cis-156.5-156.5-3.5-155.96.4000105.7
449R38Very low34.2Very low202 Ų202128 Ų12876%0.76267%0.669SS**  cis-153.5144.1-1.2-178.7155.8-72.7-174.40.3112.5
450S36.6Very low34.1Very low84 Ų84129 Ų12959%0.58767%0.671SS**  trans-13.8149.2150.2110.90000118.8
451R40.6Very low34Very low239 Ų239131.2 Ų131.290%0.90267%0.673SS**  cis-156.7161.18.3-84.9140.1-179.6-167.90.4107.1
452G35.2Very low33.6Very low63 Ų63131.9 Ų131.965%0.64968%0.679SS**  cis131.3143.8-1.100000113
453R36.1Very low33.2Very low233 Ų233134.1 Ų134.188%0.87969%0.689SS**  trans74.6152.7169.2-49.8-163.1172.8-159.1-2.6115.7
454L33.9Very low32.8Very low110 Ų110131.8 Ų131.858%0.57669%0.694SS**  cis-165.7156-9.1-134.448.4000110.7
455F34.8Very low32.5Very low177 Ų177136.8 Ų136.878%0.77671%0.708SS**  trans56.1164147.9-64.5-22.8000120.7
456S30.6Very low32.3Very low82 Ų82140.5 Ų140.557%0.57372%0.722SS**  cis-163.9151.3-32-96.80000111.3
457Q30.3Very low32.1Very low166 Ų166145.7 Ų145.778%0.77673%0.733SS**  trans41111140.7-63-179.8-49.100122
458T27.3Very low31.8Very low112 Ų112143 Ų14369%0.68773%0.729SS**  72.1160.1124.468.50000122.3
459N27.8Very low31.9Very low125 Ų125144.2 Ų144.267%0.66874%0.739SS**  trans84.4109.4143.3-73-24000120.8
460N28.8Very low31.7Very low131 Ų131139.8 Ų139.870%0.70173%0.731SS**  80.5138.4126-63.7-27.9000120.9
461K28.5Very low31.5Very low197 Ų197146.2 Ų146.286%0.85774%0.742SS**  trans66.1114.3161.5-63.3167.2-177.6-179.50114.8
462A25.9Very low31Very low93 Ų93138.4 Ų138.477%0.76973%0.725SS**  72.289.753.800000114.6
463T28.7Very low30.9Very low133 Ų133144.4 Ų144.482%0.81673%0.733SS**  trans-159.9118.7140.222.40000105.3
464V27.3Very low30.8Very low128 Ų128141.4 Ų141.478%0.77673%0.731SS**  55.9107.166.5-177.10000111.5
465K29.9Very low30.7Very low168 Ų168141.8 Ų141.873%0.7374%0.738SS**  -178.6125.5125.6-101.9177.7179.9-179.80113.5
466H31.8Very low30.7Very low159 Ų159139.6 Ų139.674%0.73674%0.742SS**  trans67.9157.6147.8-58-36.1000117.4
467R30.9Very low30.7Very low231 Ų231141.2 Ų141.287%0.87275%0.748SS**  cis175129.2-16.3171-167.6-152.2177.25.6104
468G32.1Very low31Very low59 Ų59138.8 Ų138.861%0.60875%0.745SS**  cis149.31708.800000107.3
469V34.5Very low31.2Very low136 Ų136138.5 Ų138.582%0.82475%0.748SS**  trans58.7146.5178.9-98.50000115.5
470N33.6Very low31.5Very low110 Ų110137.3 Ų137.359%0.58875%0.749SS**  cis-148.215723.4-96.6-58.8000111.2
471R32.8Very low31.8Very low218 Ų218138 Ų13882%0.82375%0.752SS**  trans43144.1130.1-55.5173.9-158.2-138.9-0.7120.6
472S31Very low31.9Very low76 Ų76132.2 Ų132.253%0.53174%0.741SS.*  cis179.2153.5-6.6-105.40000110.6
473F32Very low32.4Very low188 Ų188137.4 Ų137.483%0.82575%0.747SS**  trans62.3154.5151.4-52.7-39.6000117.8
474M34.7Very low32.6Very low171 Ų171139.3 Ų139.384%0.84275%0.746SS**  cis-147.4155.9-3.8-132157.574.400111
475T32.2Very low33Very low118 Ų118140 Ų14072%0.72475%0.751SS**  trans-113.1157.2174.647.40000111
476P33.2Very low33.1Very low131 Ų131140.6 Ų140.685%0.85175%0.753SS**  trans-95.2128.6147.3-8.227.2000111.4
477T31.8Very low33.3Very low116 Ų116138.9 Ų138.971%0.71275%0.754SS**  trans-88.4163.1156.448.60000108.7
478T36.7Very low33.6Very low114 Ų114137.7 Ų137.770%0.69975%0.749SS**  -158.1152.175.735.60000110.9
479S31.3Very low33.6Very low107 Ų107141.7 Ų141.775%0.74875%0.752SS**  cis86.1137.133.1-175.60000113.7
480S33.9Very low33.5Very low99 Ų99139.9 Ų139.969%0.69275%0.746SS**  cis-111.4-147.90.4600000110.9
481D34.1Very low33.4Very low145 Ų145140.9 Ų140.978%0.77575%0.75SS**  cis-147.3-145.24.7-150.3-94.7000113
482A32.1Very low33.6Very low76 Ų76141 Ų14163%0.62875%0.75SS**  trans-120.4161.5-16900000112
483K36.5Very low33.6Very low203 Ų203142.6 Ų142.688%0.88376%0.761SS**  -154.8155.261.9-84.2171.9179.1166.20114.3
484Q31.1Very low33.8Very low173 Ų173142 Ų14281%0.80876%0.763SS**  trans-98.9145.1168.8-56.4173.71700110.4
485V36.9Very low34Very low142 Ų142139 Ų13986%0.86176%0.757SS**  trans-131140148.9178.90000107.7
486K31.7Very low33.9Very low181 Ų181140.2 Ų140.279%0.78776%0.759SS**  trans-148.292.6-163.4179.5-172.2175.8179.80111.5
487T36.8Very low33.8Very low122 Ų122143 Ų14375%0.74876%0.76SS**  trans-164.8145.6179.726.40000109.4
488R36Very low33.8Very low206 Ų206142.6 Ų142.678%0.77776%0.762SS**  cis-160.3169.4-14.4-155173.9162.1171-5.5110.1
489E32.3Very low34.2Very low144 Ų144142.5 Ų142.567%0.67376%0.763SS**  trans-29.5147.6156.6-52.9156137.700113.1
490S32.6Very low34.3Very low98 Ų98144.2 Ų144.269%0.68576%0.763SS**  -174.6116.373.2166.10000116.6
491I32.2Very low34.3Very low130 Ų130144.9 Ų144.967%0.66777%0.767SS**  trans43.6138.5132.7-20.9164.3000121.9
492R37.1Very low34.2Very low221 Ų221143.4 Ų143.483%0.83477%0.768SS**  trans89.2141.8157.3-50.8178.5-161.7-113.4-3.9116
493S31.1Very low34.3Very low109 Ų109145.2 Ų145.276%0.76278%0.776SS**  cis164.8121.6-25-96.50000106.6
494M35.3Very low34.5Very low177 Ų177141.8 Ų141.887%0.87278%0.775SS**  trans11.2154.2141.6-68.6-67.6-159.200121
495P38.3Very low34.5Very low108 Ų108143.1 Ų143.170%0.70178%0.778SS**  cis-143.9-167.1-16.340.5-19.7000115.2
496N31.1Very low34.4Very low143 Ų143142.4 Ų142.477%0.76578%0.778SS**  trans-26.4147.9161.4-57-19.2000118.2
497E31.6Very low34.5Very low189 Ų189140 Ų14088%0.88377%0.773SS**  -164.6177.4101.9-106.2178.2-157.300112.7
498S31.9Very low34.5Very low108 Ų108140.1 Ų140.176%0.75578%0.779SS**  trans-163.5-178-169-47.90000110.6
499P43.7Very low34.4Very low111 Ų111140.6 Ų140.672%0.72178%0.781SS**  -124.8-155.4-62.632.6-12.7000110.8
500I34.8Very low34.6Very low144 Ų144144 Ų14474%0.73879%0.788SS**  trans132.2129.8142.4-67.8155.6000117.3
501S32.9Very low34.8Very low112 Ų112144.1 Ų144.178%0.78378%0.784SS**  trans73.3155.5159.577.50000118.2
502S32.7Very low34.9Very low114 Ų114146.6 Ų146.680%0.79779%0.787SS**  cis-145.5173.915.559.90000114
503S34Very low34.9Very low114 Ų114143.6 Ų143.680%0.79778%0.782SS**  trans-111.5165.7-178.8-42.50000112.7
504P39.5Very low35Very low132 Ų132143.7 Ų143.786%0.85778%0.783SS**  trans-134.8-176.6138.536.8-23.7000114.4
505K32Very low35.2Very low201 Ų201140.2 Ų140.287%0.87477%0.773SS**  trans-124154.2-172.2-53.3170.7-179.4174.70112.7
506C35.6Very low35.1Very low127 Ų127142.5 Ų142.586%0.85878%0.778SS**  trans-166.3134.7137.5-85.70000105.8
507D32.9Very low35.2Very low129 Ų129139.4 Ų139.469%0.6978%0.78SS**  cis77.7109.925.9-160.35.9000115.6
508S36.7Very low35.4Very low125 Ų125137.4 Ų137.487%0.87478%0.775SS**  trans-160.8143.9161-86.40000111.7
509R34.7Very low35.4Very low217 Ų217137.9 Ų137.982%0.81978%0.779SS**  trans-110.1153.7-162.7-50.4165.5179.1176.7-3.1113.5
510R36Very low34.8Very low216 Ų216136.8 Ų136.882%0.81578%0.779SS**  -172.5127.8123.7-98.7156.5-172.4-97.72.1108.5
511T36.5Very low34.7Very low99 Ų99140 Ų14061%0.60779%0.787SS**  51.1135.266.1490000114.4
512Y35.6Very low34.8Very low182 Ų182142.8 Ų142.871%0.71479%0.785SS**  cis-142.8169.810.9-54.1-100.7000109.1
513E35.9Very low34.7Very low159 Ų159143 Ų14374%0.74378%0.784SS**  cis-159.8178.8-7.5-133173-119.600111.2
514S33.4Very low34.5Very low111 Ų111142.6 Ų142.678%0.77677%0.772SS**  trans-141144.2163.5-67.10000110
515P40.4Very low34.3Very low103 Ų103141.5 Ų141.567%0.66976%0.763SS**  trans-144125.5145.330.1-10.9000117.2
516I34.6Very low34.3Very low157 Ų157135.7 Ų135.781%0.80575%0.748SS**  54.4119.1122-54.9159.3000118.8
517G34.6Very low34Very low78 Ų78134 Ų13480%0.80473%0.734SS**  trans-156.327.2-178.500000118.9
518N34.3Very low34.1Very low147 Ų147136.9 Ų136.979%0.78674%0.74SS**  trans16.2137.6163.7-61.6-20.2000122.9
519S33.5Very low33.8Very low118 Ų118136.8 Ų136.883%0.82573%0.729SS**  trans102.794.4141.3-152.10000120.9
520A30.8Very low33.4Very low87 Ų87135.8 Ų135.872%0.71973%0.725SS**  trans54106.813200000121.7
521K33.1Very low32.9Very low212 Ų212134.6 Ų134.692%0.92272%0.721SS**  trans-156151.9141.1-104.8150-172172.40110.5
522K34Very low32.5Very low170 Ų170133 Ų13374%0.73973%0.725SS**  trans-89.5151.9171.4-54.9179.8-177.8-179.90110.3I524K522-I524 VanDerWaalsContact C-N 3.31Å; K522-I524 HydrophobicContact CD-CD1 3.94Å; K522-I524 HydrophobicContact CD-CG1 3.95Å; K522-I524 PolarHBondContact O-N 3.17Å
523P31.2Very low32.2Very low119 Ų119128.8 Ų128.877%0.77372%0.718SS**  trans-90.472.1143.334.3-28.9000110.2T525P523-T525 PolarHBondContact O-N 3.16Å
524I29.2Very low31.9Very low105 Ų105124 Ų12454%0.53871%0.705SS.*  trans-77.797.2131-66.1179.8000104.1K522K522-I524 VanDerWaalsContact C-N 3.31Å; K522-I524 HydrophobicContact CD-CD1 3.94Å; K522-I524 HydrophobicContact CD-CG1 3.95Å; K522-I524 PolarHBondContact O-N 3.17Å
525T34.7Very low31.8Very low110 Ų110125.7 Ų125.768%0.67570%0.701SS**  trans-121.450.6154.850.60000107.3P523P523-T525 PolarHBondContact O-N 3.16Å
526S32Very low31.4Very low79 Ų79123.2 Ų123.255%0.55269%0.694SS**  -44.180.194.4-160.40000116.7F528S526-F528 WeakPolarHBondContact OG-CD2 3.39Å
527T30.9Very low31Very low91 Ų91126.6 Ų126.656%0.55870%0.697SS**  trans-133.8114.114347.70000104.3
528F33.8Very low31Very low189 Ų189130.3 Ų130.383%0.82970%0.696SS**  cis51.736.839.8-75.7-73.3000113.4S526S526-F528 WeakPolarHBondContact OG-CD2 3.39Å
529L29.9Very low30.9Very low124 Ų124126.6 Ų126.665%0.64969%0.692SS**  trans-115128.1147.1-60.9178.8000108
530R27.7Very low30.9Very low195 Ų195127.9 Ų127.974%0.73669%0.689SS**  cis-158.8152.4-21.7-123.5168.4-154.6-173.58.1106.9
531R24.7Very low30.9Very low192 Ų192126.7 Ų126.773%0.72568%0.684SS**  36.8135.4111.2-60.4-174.9-174.5-159.90.3115.5T533R531-T533 HydrophobicContact CB-CG2 4.1Å; R531-T533 HydrophobicContact CG-CG2 3.87Å
532G29Very low30.7Very low66 Ų66126.1 Ų126.168%0.6868%0.677SS**  cis-71.8158.815.700000116.3
533T28.7Very low30.6Very low93 Ų93125.7 Ų125.757%0.57168%0.675SS**  cis70.6129.122.975.10000114.9R531R531-T533 HydrophobicContact CB-CG2 4.1Å; R531-T533 HydrophobicContact CG-CG2 3.87Å
534A30.3Very low30.4Very low57 Ų57127.9 Ų127.947%0.47168%0.679SS.*  cis-82.8156.43.100000113.6F1063A534-F1063 HydrophobicContact CB-CD1 4.38Å; A534-F1063 HydrophobicContact CB-CD2 3.86Å; A534-F1063 HydrophobicContact CB-CE1 3.93Å; A534-F1063 HydrophobicContact CB-CE2 3.36Å; A534-F1063 HydrophobicContact CB-CG 4.36Å; A534-F1063 HydrophobicContact CB-CZ 3.4Å; A534-F1063 VanDerWaalsContact CB-CZ 3.4Å
535Q29.8Very low30.4Very low147 Ų147127.9 Ų127.969%0.68769%0.689SS**  cis87.745.83.2-145.9-168.1-54.400119.1
536G32Very low30.1Very low51 Ų51128.6 Ų128.653%0.52669%0.693SS.*  trans-140.3127.8154.600000108.6
537R27.9Very low30Very low229 Ų229131.8 Ų131.886%0.86470%0.704SS**  cis63.186.610.6-153.8-168.8-154.4-151.87.9111.4
538I34.3Very low29.9Very low156 Ų156134.8 Ų134.880%0.872%0.716SS**  -146.2150.279.4-75.9133.6000109.7I540I538-I540 HydrophobicContact CG2-CG1 4.29Å
539G31.3Very low29.8Very low68 Ų68132.4 Ų132.470%0.70171%0.711SS**  cis12237.79.300000114
540I33.4Very low29.8Very low146 Ų146133.2 Ų133.275%0.74972%0.716SS**  trans-129.2119.4173-50.2177.3000107.7I538I538-I540 HydrophobicContact CG2-CG1 4.29Å
541G30.4Very low30Very low61 Ų61132.3 Ų132.363%0.62972%0.72SS**  cis99.349.9-8.600000115.7
542R30.5Very low30.2Very low200 Ų200133.6 Ų133.676%0.75573%0.726SS**  trans-166.4120.6151.7-106150.4-84.3-167.81107.7
543K30.8Very low30.3Very low161 Ų161135.9 Ų135.970%0.773%0.732SS**  81.8125.572.1-80.6-164.2-175.7-175.40112.4
544L26.9Very low30.3Very low165 Ų165139.3 Ų139.386%0.86475%0.747SS**  20.1114.4128.9-58.7167.4000116.7
545S29.2Very low30.5Very low106 Ų106141.5 Ų141.574%0.74176%0.759SS**  -146.4116.2120.6-138.20000109.7
546T28.4Very low30.6Very low125 Ų125141.9 Ų141.977%0.76777%0.765SS**  trans-64.9127.8131.844.80000106
547D31.3Very low30.7Very low146 Ų146148.8 Ų148.878%0.78178%0.781SS**  trans-178.5123.8137.5-88.8-20.3000109.4
548N28.5Very low30.6Very low153 Ų153143.6 Ų143.682%0.81878%0.78SS**  trans6.4161.8152.4-139.8-19.1000122.1
549I31.8Very low30.6Very low139 Ų139140.7 Ų140.771%0.71377%0.774SS**  trans86.690.4168.8-48.1163.2000116.3
550N28.1Very low30.9Very low141 Ų141142.1 Ų142.175%0.75477%0.773SS**  trans22.9104.3133-56.6-14.4000118.9
551Q32.5Very low31.4Very low177 Ų177139.1 Ų139.183%0.82776%0.764SS**  trans-171.1115.8130.2-105.6148.510900114.3
552Y28.7Very low31.9Very low218 Ų218141.1 Ų141.186%0.85576%0.759SS**  trans52.5142139-79.7-93.9000124.3
553S31.9Very low32.6Very low114 Ų114135.9 Ų135.980%0.79775%0.753SS**  trans88106.4152.1-58.70000119.6
554N28.3Very low33.4Very low165 Ų165133.9 Ų133.988%0.88275%0.75SS**  trans-70145.7166.4-82.3-25000112.7
555S34.4Very low34.5Very low104 Ų104132.3 Ų132.373%0.72773%0.733SS**  trans-148.3123.7154.770.20000110.8K557S555-K557 PolarHBondContact O-N 3.47Å
556N31.2Very low35.7Very low154 Ų154130.5 Ų130.582%0.82471%0.714SS**  trans-72.9122.1-172.6-58.6-18.7000112
557K34.1Very low37Very low196 Ų196127 Ų12785%0.85270%0.698SS**  trans-145.579.3168.6-72.3-163.9176.6-176.20112.9S555S555-K557 PolarHBondContact O-N 3.47Å
558S26.6Very low38.1Very low121 Ų121123.5 Ų123.585%0.84669%0.685SS**  trans-103.684.1175.552.70000111.6
559S33.8Very low39.9Very low95 Ų95118.3 Ų118.366%0.66466%0.659SS**  trans-150.8-9175.159.50000116C561S559-C561 PolarHBondContact O-N 3.2Å
560S37.7Very low41.8Very low97 Ų97114.7 Ų114.768%0.67864%0.642SS**THydrogen-bonded Turntrans-80.9-14.6-168.6-163.80000115.7
561C43.9Very low43.5Very low84 Ų84111.4 Ų111.457%0.56863%0.631SS**Hα-helixtrans-88.5-7.2-167.455.50000115.5S559 R565S559-C561 PolarHBondContact O-N 3.2Å; C561-R565 WeakPolarHBondContact O-CG 3.34Å
562I41.5Very low45.4Very low103 Ų103105.6 Ų105.653%0.52861%0.607SS.*Hα-helixtrans-82.4-42.1-177.2-63.2168.7000110.9D564 R565 I566I562-D564 PolarHBondContact O-N 2.84Å; I562-R565 PolarHBondContact O-N 2.87Å; I562-I566 HydrophobicContact CG2-CD1 3.72Å; I562-I566 HydrophobicContact CG2-CG1 4.23Å; I562-I566 WeakPolarHBondContact O-CG1 3.38Å; I562-I566 PolarHBondContact O-N 3.03Å
563S44.7Very low47.4Very low89 Ų8997.6 Ų97.662%0.62258%0.579SS**Hα-helixtrans-63.4-44-176.1-170.80000112.7R565 I566 A567S563-R565 VanDerWaalsContact C-N 3.32Å; S563-R565 PolarHBondContact O-N 3.32Å; S563-I566 PolarHBondContact O-N 3.06Å; S563-A567 WeakPolarHBondContact O-CB 3.47Å; S563-A567 PolarHBondContact O-N 2.86Å
564D48.5Very low49.5Very low120 Ų12099.5 Ų99.564%0.64258%0.575SS**Hα-helixtrans-63.3-36.5175.4-66.8-28.8000112.3I562 S568I562-D564 PolarHBondContact O-N 2.84Å; D564-S568 WeakPolarHBondContact O-CB 3.43Å; D564-S568 PolarHBondContact O-N 3.12Å
565R49.3Very low51.8Low132 Ų13295.4 Ų95.450%0.49856%0.564SS.*Hα-helixtrans-67-43.6175.1-77.1-177.9173.5-145.1-3.5111.2C561 I562 S563 S568 V569 T596C561-R565 WeakPolarHBondContact O-CG 3.34Å; I562-R565 PolarHBondContact O-N 2.87Å; S563-R565 VanDerWaalsContact C-N 3.32Å; S563-R565 PolarHBondContact O-N 3.32Å; R565-S568 PolarHBondContact O-N 3.38Å; R565-V569 WeakPolarHBondContact O-CG2 3.39Å; R565-V569 PolarHBondContact O-N 2.92Å; R565-T596 PolarHBondContact NH1-O 2.8Å; R565-T596 VanDerWaalsContact NH1-O 3.17Å
566I53.3Low54Low67 Ų6793.9 Ų93.934%0.34454%0.543SS..Hα-helixtrans-61.6-48.2174.4-68.1171.3000110.5I562 S563 S568 V569 V570 A605I562-I566 HydrophobicContact CG2-CD1 3.72Å; I562-I566 HydrophobicContact CG2-CG1 4.23Å; I562-I566 WeakPolarHBondContact O-CG1 3.38Å; I562-I566 PolarHBondContact O-N 3.03Å; S563-I566 PolarHBondContact O-N 3.06Å; I566-S568 VanDerWaalsContact C-N 3.27Å; I566-S568 PolarHBondContact O-N 3.44Å; I566-V569 PolarHBondContact O-N 2.87Å; I566-V569 VanDerWaalsContact O-N 3.16Å; I566-V570 HydrophobicContact CG2-CG2 4.19Å; I566-V570 WeakPolarHBondContact O-CB 3.44Å; I566-V570 WeakPolarHBondContact O-CG2 3.4Å; I566-V570 PolarHBondContact O-N 3.45Å; I566-A605 HydrophobicContact CD1-CB 4.22Å; I566-A605 HydrophobicContact CG1-CB 4.03Å
567A57.3Low56.2Low52 Ų5295.4 Ų95.443%0.4355%0.551SS.*Hα-helixtrans-59.1-38.5178.200000112.3S563 S571S563-A567 WeakPolarHBondContact O-CB 3.47Å; S563-A567 PolarHBondContact O-N 2.86Å; A567-S571 VanDerWaalsContact O-CB 3.28Å; A567-S571 WeakPolarHBondContact O-CB 3.43Å; A567-S571 PolarHBondContact O-N 3.27Å; A567-S571 PolarHBondContact O-OG 3.27Å
568S54.3Low58.3Low73 Ų7389.2 Ų89.251%0.5153%0.527SS..Hα-helixtrans-66.2-45.2174.1-170.50000112.6D564 R565 I566 S571 T572D564-S568 WeakPolarHBondContact O-CB 3.43Å; D564-S568 PolarHBondContact O-N 3.12Å; R565-S568 PolarHBondContact O-N 3.38Å; I566-S568 VanDerWaalsContact C-N 3.27Å; I566-S568 PolarHBondContact O-N 3.44Å; S568-S571 WeakPolarHBondContact O-CB 3.49Å; S568-S571 PolarHBondContact O-N 3.18Å; S568-T572 PolarHBondContact O-N 3.03Å; S568-T572 PolarHBondContact O-OG1 3.49Å
569V65Low60.7Low44 Ų4487 Ų8727%0.26751%0.51SS..Hα-helixtrans-66.3-41.7178.3170.50000111.8R565 I566 T572 I573R565-V569 WeakPolarHBondContact O-CG2 3.39Å; R565-V569 PolarHBondContact O-N 2.92Å; I566-V569 PolarHBondContact O-N 2.87Å; I566-V569 VanDerWaalsContact O-N 3.16Å; V569-T572 PolarHBondContact O-N 3.45Å; V569-T572 PolarHBondContact O-OG1 3.09Å; V569-I573 HydrophobicContact CG1-CD1 3.88Å; V569-I573 VanDerWaalsContact O-CG1 3.3Å; V569-I573 WeakPolarHBondContact O-CG1 3.36Å; V569-I573 PolarHBondContact O-N 3.2Å
570V72.2Confident62.6Low62 Ų6287.2 Ų87.238%0.37650%0.499SS..Hα-helixtrans-61.3-45.9172.61720000109.9I566 T572 I573 E574I566-V570 HydrophobicContact CG2-CG2 4.19Å; I566-V570 WeakPolarHBondContact O-CB 3.44Å; I566-V570 WeakPolarHBondContact O-CG2 3.4Å; I566-V570 PolarHBondContact O-N 3.45Å; V570-T572 VanDerWaalsContact C-N 3.29Å; V570-T572 PolarHBondContact O-N 2.75Å; V570-I573 PolarHBondContact O-N 2.93Å; V570-I573 VanDerWaalsContact O-N 3.1Å; V570-E574 HydrophobicContact CG1-CG 4.24Å; V570-E574 WeakPolarHBondContact O-CB 3.34Å; V570-E574 WeakPolarHBondContact O-CG 3.27Å; V570-E574 PolarHBondContact O-N 3.36Å
571S64.6Low64.3Low72 Ų7284.7 Ų84.750%0.50348%0.484SS..Hα-helixtrans-60.4-34.8176.2-59.70000113A567 S568 A575A567-S571 VanDerWaalsContact O-CB 3.28Å; A567-S571 WeakPolarHBondContact O-CB 3.43Å; A567-S571 PolarHBondContact O-N 3.27Å; A567-S571 PolarHBondContact O-OG 3.27Å; S568-S571 WeakPolarHBondContact O-CB 3.49Å; S568-S571 PolarHBondContact O-N 3.18Å; S571-A575 VanDerWaalsContact O-CB 3.28Å; S571-A575 WeakPolarHBondContact O-CB 3.27Å; S571-A575 PolarHBondContact O-N 3.28Å; S571-A575 VanDerWaalsContact O-N 3.08Å
572T71.3Confident65.7Low55 Ų5581.7 Ų81.734%0.33746%0.461SS..Hα-helixtrans-77.3-27.5174.853.20000113.3S568 V569 V570 Y576S568-T572 PolarHBondContact O-N 3.03Å; S568-T572 PolarHBondContact O-OG1 3.49Å; V569-T572 PolarHBondContact O-N 3.45Å; V569-T572 PolarHBondContact O-OG1 3.09Å; V570-T572 VanDerWaalsContact C-N 3.29Å; V570-T572 PolarHBondContact O-N 2.75Å; T572-Y576 VanDerWaalsContact O-CD2 3.27Å; T572-Y576 WeakPolarHBondContact O-CD2 3.4Å
573I72.1Confident67.2Low50 Ų5081.8 Ų81.826%0.25646%0.462SS..Hα-helixtrans-72-44.3171.4-67.5163.9000110.2V569 V570 A575 Y576 P579 Y582V569-I573 HydrophobicContact CG1-CD1 3.88Å; V569-I573 VanDerWaalsContact O-CG1 3.3Å; V569-I573 WeakPolarHBondContact O-CG1 3.36Å; V569-I573 PolarHBondContact O-N 3.2Å; V570-I573 PolarHBondContact O-N 2.93Å; V570-I573 VanDerWaalsContact O-N 3.1Å; I573-A575 PolarHBondContact O-N 3.27Å; I573-Y576 PolarHBondContact O-N 2.9Å; I573-Y576 VanDerWaalsContact O-N 3.13Å; I573-P579 HydrophobicContact CG2-CB 4.11Å; I573-Y582 HydrophobicContact CD1-CE1 4.3Å; I573-Y582 HydrophobicContact CG1-CD1 3.7Å; I573-Y582 HydrophobicContact CG1-CE1 3.67Å; I573-Y582 HydrophobicContact CG1-CG 4.34Å
574E76.1Confident68.4Low155 Ų15583.3 Ų83.372%0.72446%0.458SS*.Hα-helixtrans-65.7-21.2175-70.7-177.717200113.4V570 Y576V570-E574 HydrophobicContact CG1-CG 4.24Å; V570-E574 WeakPolarHBondContact O-CB 3.34Å; V570-E574 WeakPolarHBondContact O-CG 3.27Å; V570-E574 PolarHBondContact O-N 3.36Å; E574-Y576 VanDerWaalsContact C-N 3.3Å
575A75.3Confident69.5Low79 Ų7982.4 Ų82.465%0.65345%0.446SS*.THydrogen-bonded Turntrans-80.2-5.417400000114.2S571 I573S571-A575 VanDerWaalsContact O-CB 3.28Å; S571-A575 WeakPolarHBondContact O-CB 3.27Å; S571-A575 PolarHBondContact O-N 3.28Å; S571-A575 VanDerWaalsContact O-N 3.08Å; I573-A575 PolarHBondContact O-N 3.27Å
576Y80.4Confident70.4Confident71 Ų7181 Ų8128%0.27844%0.441SS..SBendtrans-107.1127.3171.2-80.9-118.4000108.9T572 I573 E574 D578 A581 Y582 Y585T572-Y576 VanDerWaalsContact O-CD2 3.27Å; T572-Y576 WeakPolarHBondContact O-CD2 3.4Å; I573-Y576 PolarHBondContact O-N 2.9Å; I573-Y576 VanDerWaalsContact O-N 3.13Å; E574-Y576 VanDerWaalsContact C-N 3.3Å; Y576-D578 PolarHBondContact O-N 2.95Å; Y576-A581 HydrophobicContact CD1-CB 4.43Å; Y576-Y582 HydrophobicContact CD1-CD2 4.47Å; Y576-Y582 AromaticContact CD2-CD2 3.91Å; Y576-Y582 HydrophobicContact CD2-CD2 3.91Å; Y576-Y582 HydrophobicContact CE1-CD2 4.42Å; Y576-Y582 AromaticContact CE2-CD2 3.85Å; Y576-Y582 HydrophobicContact CE2-CD2 3.85Å; Y576-Y582 HydrophobicContact CG-CD2 4.24Å; Y576-Y585 HydrophobicContact CE1-CD2 4.17Å; Y576-Y585 HydrophobicContact CE1-CG 4.06Å; Y576-Y585 WeakPolarHBondContact OH-CD1 3.44Å; Y576-Y585 WeakPolarHBondContact OH-CD2 3.13Å; Y576-Y585 WeakPolarHBondContact OH-CE1 3.41Å; Y576-Y585 VanDerWaalsContact OH-CE2 3.27Å; Y576-Y585 WeakPolarHBondContact OH-CE2 3.28Å; Y576-Y585 VanDerWaalsContact OH-CZ 3.28Å
577D79Confident70.9Confident187 Ų18782.2 Ų82.2100%145%0.446SS*.SBendtrans-59.9-17178.6-68-58.5000113.6
578D78.1Confident71.2Confident65 Ų6587.7 Ų87.735%0.34846%0.46SS..  trans-139.1122175.2169.826.9000110.8Y576 K580 A581 Y582Y576-D578 PolarHBondContact O-N 2.95Å; D578-K580 PolarHBondContact O-N 3.33Å; D578-K580 WeakPolarHBondContact OD1-CB 3.34Å; D578-K580 PolarHBondContact OD1-N 3.12Å; D578-K580 WeakPolarHBondContact OD2-CB 3.47Å; D578-A581 HydrophobicContact CB-CB 3.97Å; D578-A581 WeakPolarHBondContact O-CB 3.1Å; D578-A581 PolarHBondContact O-N 2.95Å; D578-A581 VanDerWaalsContact O-N 3.1Å; D578-A581 PolarHBondContact OD2-N 3.08Å; D578-Y582 PolarHBondContact O-N 3.38Å; D578-Y582 VanDerWaalsContact O-N 3.17Å
579P75.3Confident71.3Confident74 Ų7488.9 Ų88.948%0.48146%0.458SS..Hα-helixtrans-66.8-22.3175.828.1-35.5000113.1I573 Y582 L583I573-P579 HydrophobicContact CG2-CB 4.11Å; P579-Y582 PolarHBondContact O-N 2.89Å; P579-L583 PolarHBondContact O-N 2.99Å
580K74Confident70Confident100 Ų10090.1 Ų90.144%0.43548%0.479SS..Hα-helixtrans-68.2-41.4169.7-65.6176.5171.1176.70110.4Y212 D578 Y582 L583 F584Y212-K580 HydrophobicContact CE1-CD 4.03Å; Y212-K580 VanDerWaalsContact CE1-CE 3.44Å; D578-K580 PolarHBondContact O-N 3.33Å; D578-K580 WeakPolarHBondContact OD1-CB 3.34Å; D578-K580 PolarHBondContact OD1-N 3.12Å; D578-K580 WeakPolarHBondContact OD2-CB 3.47Å; K580-Y582 VanDerWaalsContact C-N 3.28Å; K580-Y582 PolarHBondContact O-N 3.16Å; K580-L583 PolarHBondContact O-N 3.3Å; K580-L583 VanDerWaalsContact O-N 3.12Å; K580-F584 WeakPolarHBondContact O-CD2 3.5Å; K580-F584 PolarHBondContact O-N 3.38Å
581A73.3Confident68.5Low44 Ų4492.5 Ų92.536%0.36449%0.494SS..Hα-helixtrans-59-37.5171.900000112.4Y576 D578 Y585Y576-A581 HydrophobicContact CD1-CB 4.43Å; D578-A581 HydrophobicContact CB-CB 3.97Å; D578-A581 WeakPolarHBondContact O-CB 3.1Å; D578-A581 PolarHBondContact O-N 2.95Å; D578-A581 VanDerWaalsContact O-N 3.1Å; D578-A581 PolarHBondContact OD2-N 3.08Å; A581-Y585 WeakPolarHBondContact O-CB 3.05Å; A581-Y585 PolarHBondContact O-N 3.05Å
582Y74.3Confident67.1Low22 Ų2295 Ų959%0.08650%0.498CS..Hα-helixtrans-64.4-44.2170.8179.4-104.4000112.5I573 Y576 D578 P579 K580 Y585 R586I573-Y582 HydrophobicContact CD1-CE1 4.3Å; I573-Y582 HydrophobicContact CG1-CD1 3.7Å; I573-Y582 HydrophobicContact CG1-CE1 3.67Å; I573-Y582 HydrophobicContact CG1-CG 4.34Å; Y576-Y582 HydrophobicContact CD1-CD2 4.47Å; Y576-Y582 AromaticContact CD2-CD2 3.91Å; Y576-Y582 HydrophobicContact CD2-CD2 3.91Å; Y576-Y582 HydrophobicContact CE1-CD2 4.42Å; Y576-Y582 AromaticContact CE2-CD2 3.85Å; Y576-Y582 HydrophobicContact CE2-CD2 3.85Å; Y576-Y582 HydrophobicContact CG-CD2 4.24Å; D578-Y582 PolarHBondContact O-N 3.38Å; D578-Y582 VanDerWaalsContact O-N 3.17Å; P579-Y582 PolarHBondContact O-N 2.89Å; K580-Y582 VanDerWaalsContact C-N 3.28Å; K580-Y582 PolarHBondContact O-N 3.16Å; Y582-Y585 PolarHBondContact O-N 2.95Å; Y582-R586 HydrophobicContact CD1-CG 4.4Å; Y582-R586 HydrophobicContact CD2-CG 4.35Å; Y582-R586 HydrophobicContact CE1-CG 4.02Å; Y582-R586 HydrophobicContact CE2-CG 3.94Å; Y582-R586 WeakPolarHBondContact O-CG 3.36Å; Y582-R586 PolarHBondContact O-N 2.77Å; Y582-R586 PolarHBondContact OH-NH1 3.3Å
583L72Confident65.3Low105 Ų105101.4 Ų101.455%0.5552%0.524SS..Hα-helixtrans-61.1-47.9174.2-103.182.2000112.1P579 K580 Y585 R586 M587P579-L583 PolarHBondContact O-N 2.99Å; K580-L583 PolarHBondContact O-N 3.3Å; K580-L583 VanDerWaalsContact O-N 3.12Å; L583-Y585 VanDerWaalsContact C-N 3.34Å; L583-Y585 PolarHBondContact O-N 3.05Å; L583-R586 CarbonylContact O-C 3.59Å; L583-R586 PolarHBondContact O-N 3.19Å; L583-R586 VanDerWaalsContact O-N 3.17Å; L583-M587 WeakPolarHBondContact O-CB 3.18Å; L583-M587 VanDerWaalsContact O-CG 3.32Å; L583-M587 WeakPolarHBondContact O-CG 3.3Å; L583-M587 PolarHBondContact O-N 3.47Å
584F71.5Confident63.4Low121 Ų121104.1 Ų104.153%0.53154%0.538SS..Hα-helixtrans-59.8-43.5176.4-90.8-84.9000111.5K580 R586 M587 F588K580-F584 WeakPolarHBondContact O-CD2 3.5Å; K580-F584 PolarHBondContact O-N 3.38Å; F584-R586 VanDerWaalsContact C-N 3.34Å; F584-R586 PolarHBondContact O-N 2.99Å; F584-M587 HydrophobicContact CD1-CE 4.03Å; F584-M587 HydrophobicContact CD2-CE 4.19Å; F584-M587 HydrophobicContact CE1-CE 4.26Å; F584-M587 HydrophobicContact CE2-CE 4.41Å; F584-M587 HydrophobicContact CG-CE 3.99Å; F584-M587 HydrophobicContact CZ-CE 4.44Å; F584-M587 PolarHBondContact O-N 3Å; F584-M587 VanDerWaalsContact O-N 3.17Å; F584-F588 AromaticContact CD1-CD2 3.99Å; F584-F588 HydrophobicContact CD1-CD2 3.99Å; F584-F588 AromaticContact CD1-CE2 3.72Å; F584-F588 HydrophobicContact CD1-CE2 3.72Å; F584-F588 HydrophobicContact CE1-CE2 4.06Å; F584-F588 WeakPolarHBondContact O-CD2 3.35Å; F584-F588 PolarHBondContact O-N 3.48Å
585Y70.5Confident61.3Low100 Ų100105.4 Ų105.439%0.39254%0.544SS..Hα-helixtrans-57.4-45173.5-178.5-84.2000111.8Y576 A581 Y582 L583 Q589Y576-Y585 HydrophobicContact CE1-CD2 4.17Å; Y576-Y585 HydrophobicContact CE1-CG 4.06Å; Y576-Y585 WeakPolarHBondContact OH-CD1 3.44Å; Y576-Y585 WeakPolarHBondContact OH-CD2 3.13Å; Y576-Y585 WeakPolarHBondContact OH-CE1 3.41Å; Y576-Y585 VanDerWaalsContact OH-CE2 3.27Å; Y576-Y585 WeakPolarHBondContact OH-CE2 3.28Å; Y576-Y585 VanDerWaalsContact OH-CZ 3.28Å; A581-Y585 WeakPolarHBondContact O-CB 3.05Å; A581-Y585 PolarHBondContact O-N 3.05Å; Y582-Y585 PolarHBondContact O-N 2.95Å; L583-Y585 VanDerWaalsContact C-N 3.34Å; L583-Y585 PolarHBondContact O-N 3.05Å; Y585-Q589 HydrophobicContact CE1-CG 4.41Å; Y585-Q589 VanDerWaalsContact CE2-NE2 3.3Å; Y585-Q589 WeakPolarHBondContact O-CB 3.41Å; Y585-Q589 PolarHBondContact O-N 3.24Å; Y585-Q589 PolarHBondContact OH-NE2 3.43Å; Y585-Q589 PolarHBondContact OH-OE1 2.98Å; Y585-Q589 VanDerWaalsContact OH-OE1 3.05Å
586R68.3Low59.4Low104 Ų104107 Ų10739%0.39255%0.545SS..Hα-helixtrans-75.5-16.7176.8-65-61.3-62.3-105.98.4114.6Y582 L583 F584Y582-R586 HydrophobicContact CD1-CG 4.4Å; Y582-R586 HydrophobicContact CD2-CG 4.35Å; Y582-R586 HydrophobicContact CE1-CG 4.02Å; Y582-R586 HydrophobicContact CE2-CG 3.94Å; Y582-R586 WeakPolarHBondContact O-CG 3.36Å; Y582-R586 PolarHBondContact O-N 2.77Å; Y582-R586 PolarHBondContact OH-NH1 3.3Å; L583-R586 CarbonylContact O-C 3.59Å; L583-R586 PolarHBondContact O-N 3.19Å; L583-R586 VanDerWaalsContact O-N 3.17Å; F584-R586 VanDerWaalsContact C-N 3.34Å; F584-R586 PolarHBondContact O-N 2.99Å
587M63.5Low57.1Low91 Ų91105.8 Ų105.845%0.44855%0.546SS..Hα-helixtrans-85.7-32.2173.1-75.1-171.7-63.200112.8L583 F584L583-M587 WeakPolarHBondContact O-CB 3.18Å; L583-M587 VanDerWaalsContact O-CG 3.32Å; L583-M587 WeakPolarHBondContact O-CG 3.3Å; L583-M587 PolarHBondContact O-N 3.47Å; F584-M587 HydrophobicContact CD1-CE 4.03Å; F584-M587 HydrophobicContact CD2-CE 4.19Å; F584-M587 HydrophobicContact CE1-CE 4.26Å; F584-M587 HydrophobicContact CE2-CE 4.41Å; F584-M587 HydrophobicContact CG-CE 3.99Å; F584-M587 HydrophobicContact CZ-CE 4.44Å; F584-M587 PolarHBondContact O-N 3Å; F584-M587 VanDerWaalsContact O-N 3.17Å
588F64Low55Low167 Ų167101.3 Ų101.373%0.73253%0.525SS*.Hα-helixtrans-104.5-10.4-175.4-77.5-86.2000114.9F584F584-F588 AromaticContact CD1-CD2 3.99Å; F584-F588 HydrophobicContact CD1-CD2 3.99Å; F584-F588 AromaticContact CD1-CE2 3.72Å; F584-F588 HydrophobicContact CD1-CE2 3.72Å; F584-F588 HydrophobicContact CE1-CE2 4.06Å; F584-F588 WeakPolarHBondContact O-CD2 3.35Å; F584-F588 PolarHBondContact O-N 3.48Å
589Q57.2Low53.2Low98 Ų98103 Ų10346%0.45854%0.538SS..SBendtrans-87124.7160.5-70.7-165.5-16.200110.3Y585Y585-Q589 HydrophobicContact CE1-CG 4.41Å; Y585-Q589 VanDerWaalsContact CE2-NE2 3.3Å; Y585-Q589 WeakPolarHBondContact O-CB 3.41Å; Y585-Q589 PolarHBondContact O-N 3.24Å; Y585-Q589 PolarHBondContact OH-NE2 3.43Å; Y585-Q589 PolarHBondContact OH-OE1 2.98Å; Y585-Q589 VanDerWaalsContact OH-OE1 3.05Å
590G37.6Very low51.5Low70 Ų70103.8 Ų103.872%0.72254%0.538SS*.  trans-60.5147.3167.700000111E592G590-E592 VanDerWaalsContact C-N 3.34Å; G590-E592 PolarHBondContact O-N 2.95Å
591V40.8Very low49.6Very low113 Ų113101.2 Ų101.269%0.68554%0.54SS*.  trans-83.579.7-176.3-173.50000110.1
592E33.9Very low48Very low125 Ų125101.5 Ų101.558%0.58454%0.535SS*.  trans-103.7146.6158.6-66.6-171.116300109.3G590G590-E592 VanDerWaalsContact C-N 3.34Å; G590-E592 PolarHBondContact O-N 2.95Å
593E33.4Very low46.3Very low189 Ų189105.2 Ų105.288%0.88355%0.552SS**SBendtrans61.351.9179.6-57.5-162.8154.700118.6
594I32.9Very low45Very low106 Ų106107 Ų10754%0.54456%0.557SS.*  -153.398.7124.4-53.9-170.5000109.9T597I594-T597 HydrophobicContact CG2-CG2 4.05Å; I594-T597 PolarHBondContact O-OG1 3.37Å
595E32.2Very low43.1Very low183 Ų183103.4 Ų103.486%0.85555%0.55SS**THydrogen-bonded Turntrans-67.3145.4158.5-69.2-179.4116.600109.7
596T34.7Very low41.5Very low112 Ų112106 Ų10669%0.68756%0.564SS**THydrogen-bonded Turntrans79.615.8-168.980.80000117.5R565R565-T596 PolarHBondContact NH1-O 2.8Å; R565-T596 VanDerWaalsContact NH1-O 3.17Å
597T31.9Very low40Very low46 Ų46104.7 Ų104.728%0.28257%0.57SS.*  trans-122.487.6156.354.10000111I594I594-T597 HydrophobicContact CG2-CG2 4.05Å; I594-T597 PolarHBondContact O-OG1 3.37Å
598T36.1Very low38.8Very low93 Ų93106.1 Ų106.157%0.57159%0.586SS**  trans-63.1155159.260.20000109.4D600 G601T598-D600 WeakPolarHBondContact CB-OD2 3.27Å; T598-D600 PolarHBondContact O-N 3.38Å; T598-D600 VanDerWaalsContact O-N 3.15Å; T598-D600 PolarHBondContact OG1-OD2 3Å; T598-G601 PolarHBondContact O-N 3.23Å; T598-G601 VanDerWaalsContact O-N 3.12Å
599T39Very low37.2Very low101 Ų101108.7 Ų108.762%0.6259%0.593SS**THydrogen-bonded Turntrans-54.6-33.3179.31.30000112.5G601 I602 F603T599-G601 VanDerWaalsContact C-N 3.27Å; T599-G601 PolarHBondContact O-N 3.4Å; T599-I602 PolarHBondContact O-N 2.83Å; T599-F603 WeakPolarHBondContact O-CD2 3.17Å
600D40.8Very low35.9Very low89 Ų89108 Ų10848%0.47660%0.599SS.*Hα-helixtrans-60.8-36.1-178.7-31-63.6000111.9T598 I602 F603 Q604T598-D600 WeakPolarHBondContact CB-OD2 3.27Å; T598-D600 PolarHBondContact O-N 3.38Å; T598-D600 VanDerWaalsContact O-N 3.15Å; T598-D600 PolarHBondContact OG1-OD2 3Å; D600-I602 PolarHBondContact O-N 3.12Å; D600-I602 VanDerWaalsContact O-N 3.14Å; D600-F603 PolarHBondContact O-N 3.01Å; D600-F603 VanDerWaalsContact O-N 3.11Å; D600-Q604 WeakPolarHBondContact O-CB 3.39Å; D600-Q604 WeakPolarHBondContact O-CG 3.47Å; D600-Q604 PolarHBondContact O-N 2.9Å
601G34.4Very low35.4Very low47 Ų47110.7 Ų110.749%0.48561%0.607SS.*Hα-helixtrans-67.7-10.8-179.700000114.9T598 T599T598-G601 PolarHBondContact O-N 3.23Å; T598-G601 VanDerWaalsContact O-N 3.12Å; T599-G601 VanDerWaalsContact C-N 3.27Å; T599-G601 PolarHBondContact O-N 3.4Å
602I39.1Very low35Very low50 Ų50109.7 Ų109.726%0.25660%0.601SS.*Hα-helixtrans-95.9-31.5172.8-60.9178000110.8T599 D600T599-I602 PolarHBondContact O-N 2.83Å; D600-I602 PolarHBondContact O-N 3.12Å; D600-I602 VanDerWaalsContact O-N 3.14Å
603F39.7Very low34.7Very low100 Ų100110.9 Ų110.944%0.43961%0.611SS.*Hα-helixtrans-85.5-29.4178.2-71.7-75.6000113.5T599 D600 A605 F606 S607T599-F603 WeakPolarHBondContact O-CD2 3.17Å; D600-F603 PolarHBondContact O-N 3.01Å; D600-F603 VanDerWaalsContact O-N 3.11Å; F603-A605 PolarHBondContact O-N 3.13Å; F603-A605 VanDerWaalsContact O-N 3.12Å; F603-F606 PolarHBondContact O-N 3.13Å; F603-S607 PolarHBondContact O-N 3Å
604Q42.7Very low34.4Very low142 Ų142111.6 Ų111.666%0.66461%0.611SS**THydrogen-bonded Turntrans-59.6-20.1169.9-77.6-178.3-800113.2D600 F606D600-Q604 WeakPolarHBondContact O-CB 3.39Å; D600-Q604 WeakPolarHBondContact O-CG 3.47Å; D600-Q604 PolarHBondContact O-N 2.9Å; Q604-F606 PolarHBondContact O-N 3.44Å
605A32.8Very low34.2Very low46 Ų46115 Ų11538%0.3863%0.625SS.*THydrogen-bonded Turntrans-75.5-8.517300000114I566 F603I566-A605 HydrophobicContact CD1-CB 4.22Å; I566-A605 HydrophobicContact CG1-CB 4.03Å; F603-A605 PolarHBondContact O-N 3.13Å; F603-A605 VanDerWaalsContact O-N 3.12Å
606F36.9Very low34.1Very low155 Ų155114.8 Ų114.868%0.6862%0.621SS**THydrogen-bonded Turntrans-118.2-3.4178.2-70.8-79.5000113.7F603 Q604F603-F606 PolarHBondContact O-N 3.13Å; Q604-F606 PolarHBondContact O-N 3.44Å
607S37.6Very low33.7Very low75 Ų75117.1 Ų117.152%0.52462%0.624SS.*SBendtrans-69.7126.7168.6-58.30000110.1F603F603-S607 PolarHBondContact O-N 3Å
608P36.5Very low33.5Very low121 Ų121125 Ų12579%0.78666%0.655SS**PPolyproline II helixtrans-60.6148.6161.628-33.1000109.3S610P608-S610 PolarHBondContact O-N 3.23Å
609Y31.9Very low33.1Very low222 Ų222126.3 Ų126.387%0.87167%0.668SS**SBendtrans-65.3126.9-170.4-84.4-97.3000112.6
610S30.1Very low32.7Very low83 Ų83126.6 Ų126.658%0.5867%0.672SS**  trans53.3107.3153.5550000118.3P608 V612P608-S610 PolarHBondContact O-N 3.23Å; S610-V612 PolarHBondContact O-N 3.08Å
611S26.5Very low32.2Very low127 Ų127130.6 Ų130.689%0.88869%0.687SS**  -72.1107.2120.1-172.80000107.4
612V31.1Very low31.8Very low92 Ų92136.6 Ų136.656%0.55870%0.7SS**  trans-107.5133.3160.7153.20000105S610 F614S610-V612 PolarHBondContact O-N 3.08Å; V612-F614 WeakPolarHBondContact O-CD2 3.45Å; V612-F614 PolarHBondContact O-N 3.26Å
613D28.1Very low31.5Very low150 Ų150142.3 Ų142.380%0.80273%0.732SS**  trans-58.595.7-176.4-69.9-61.9000112.6Q615D613-Q615 PolarHBondContact O-N 3.06Å
614F28.7Very low31Very low204 Ų204144 Ų14490%0.89575%0.746SS**  trans-78.939.6169.7-87.7-78.5000112.2V612V612-F614 WeakPolarHBondContact O-CD2 3.45Å; V612-F614 PolarHBondContact O-N 3.26Å
615Q28Very low30.6Very low176 Ų176144 Ų14482%0.82276%0.755SS**  trans-98.984172.7-167-175.784.300110.6D613D613-Q615 PolarHBondContact O-N 3.06Å
616K29.2Very low30.4Very low180 Ų180149 Ų14978%0.78378%0.775SS**  trans-160135.6161.4-117165.4-171.8165.80115.7
617Q27.4Very low30.2Very low161 Ų161150.3 Ų150.375%0.75278%0.784SS**  trans69.772.7148.9-73.7167.4-10.100119.3
618F28.2Very low29.8Very low210 Ų210154.8 Ų154.892%0.92180%0.796SS**  -129.6116.8120-83.7-75.6000110
619S27.2Very low29.4Very low121 Ų121155.9 Ų155.985%0.84680%0.795SS**  trans-169116.1170.2-710000110.1
620P30Very low29.2Very low107 Ų107152.5 Ų152.570%0.69579%0.792SS**  trans-112.3137.5158.434.6-24.8000111.9
621E30.4Very low29Very low173 Ų173158.7 Ų158.781%0.80880%0.804SS**  trans47.899.6140.8-64.6160.1150.600118.4
622F26.9Very low29.1Very low173 Ų173160.4 Ų160.476%0.75980%0.797SS**  63.2110.385.2-86.9-79.6000115.5
623N32.4Very low29Very low171 Ų171162.4 Ų162.491%0.91481%0.805SS**  trans-151.4124.3133.5-102.5-37.5000109
624D28.8Very low29.1Very low136 Ų136162.7 Ų162.773%0.72780%0.801SS**  trans-91.2124.3178.7-65.2-65.8000111
625T33.7Very low29Very low141 Ų141158 Ų15887%0.86579%0.793SS**  trans-140.4132.9157.6430000110.3
626N28.3Very low29.1Very low150 Ų150160.3 Ų160.380%0.80280%0.796SS**  trans-82.8152.4-179.8-54.1-84000111.7
627E34.4Very low29Very low184 Ų184155 Ų15586%0.8679%0.792SS**  trans172.8106.1130.7-94.6162.4-147.300107.3
628Q27.7Very low29.2Very low168 Ų168155.1 Ų155.179%0.78580%0.796SS**  61.8110.784-72.4-158.714.700115.8
629L28.4Very low29.1Very low144 Ų144152 Ų15275%0.75479%0.789SS**  trans46.7107.8135.6-56170.5000118.5
630N28.1Very low29.5Very low151 Ų151155.7 Ų155.781%0.80779%0.793SS**  -168.2166.999.3-118.3-45.2000115.7
631Y25.1Very low29.5Very low214 Ų214156 Ų15684%0.83979%0.793SS**  trans-67.2137.7160.6-55.9-105.6000110.5
632H28.2Very low29.3Very low162 Ų162155.7 Ų155.775%0.7579%0.789SS**  -160.7140118.1-14747.9000112.4H634H632-H634 AromaticContact CD2-ND1 3.53Å; H632-H634 AromaticContact NE2-CE1 3.84Å; H632-H634 AromaticContact NE2-ND1 3.48Å; H632-H634 PolarHBondContact NE2-ND1 2.82Å
633L30Very low29.9Very low135 Ų135152.8 Ų152.871%0.70779%0.788SS**  trans-66.9141.8159.6-168.679.4000108.4
634H30.5Very low29.6Very low156 Ų156152.8 Ų152.872%0.72278%0.779SS**  trans-177.2131.9141.8-104.884.4000111H632H632-H634 AromaticContact CD2-ND1 3.53Å; H632-H634 AromaticContact NE2-CE1 3.84Å; H632-H634 AromaticContact NE2-ND1 3.48Å; H632-H634 PolarHBondContact NE2-ND1 2.82Å
635S27Very low29.7Very low105 Ų105155.8 Ų155.873%0.73479%0.786SS**  trans-77.7137.1166.3177.20000110.2
636Y28.9Very low29.5Very low225 Ų225156.8 Ų156.888%0.88278%0.781SS**  trans-164.9133.2140-100.9-67.7000109.4
637G27.2Very low29.4Very low67 Ų67156.3 Ų156.369%0.69178%0.784SS**  trans-86.7157175.100000112.7
638I31.5Very low29.2Very low164 Ų164154.1 Ų154.184%0.84178%0.778SS**  trans-138.3132.2166.8-55.9-179.9000107.4
639D26Very low29.2Very low145 Ų145151.9 Ų151.978%0.77578%0.781SS**  trans-79.4132-175.7-54.2-88.2000113.5
640E35.1Very low29.3Very low199 Ų199152 Ų15293%0.9378%0.782SS**  trans-124.272.2155.7-73.5-152.2150.300111.8
641T30.1Very low29.3Very low114 Ų114151.6 Ų151.670%0.69979%0.785SS**  trans3.9123.6148.3-51.70000118.8
642F26.9Very low29.5Very low166 Ų166148.5 Ų148.573%0.72878%0.778SS**  trans8.1138.7150.7-71.2-89.9000119.6K644F642-K644 HydrophobicContact CD1-CG 3.95Å; F642-K644 HydrophobicContact CE1-CG 4.34Å
643P38.7Very low29.5Very low112 Ų112145.8 Ų145.873%0.72777%0.769SS**  -120.8124.2110.533.4-31.7000113.6F645P643-F645 HydrophobicContact CB-CD2 4.26Å; P643-F645 HydrophobicContact CB-CE2 4.26Å
644K27.5Very low29.5Very low170 Ų170146.5 Ų146.574%0.73977%0.767SS**  trans-67.4129.8158.8-63172.5180173.40108.3F642F642-K644 HydrophobicContact CD1-CG 3.95Å; F642-K644 HydrophobicContact CE1-CG 4.34Å
645F30.6Very low29.5Very low199 Ų199148.8 Ų148.887%0.87377%0.77SS**  trans-135.1122.9153.5-87.2-71000111.8P643P643-F645 HydrophobicContact CB-CD2 4.26Å; P643-F645 HydrophobicContact CB-CE2 4.26Å
646Q29.1Very low29.6Very low163 Ų163149.4 Ų149.476%0.76278%0.775SS**  trans-77.8138178.5-65.6163.5-79.200110N648Q646-N648 PolarHBondContact O-N 2.87Å
647T25.9Very low29.6Very low140 Ų140141.8 Ų141.886%0.85977%0.765SS**  trans-61.8111.6151.446.30000108.8
648N30.2Very low29.7Very low138 Ų138147.2 Ų147.274%0.73877%0.774SS**  trans-148.181.1164.9-106.7-29.1000110Q646 N650Q646-N648 PolarHBondContact O-N 2.87Å; N648-N650 PolarHBondContact O-N 3.48Å
649S27.8Very low29.6Very low121 Ų121145.8 Ų145.885%0.84677%0.768SS**  trans-71.4109169.5520000109.9
650N30.4Very low29.8Very low145 Ų145146 Ų14678%0.77577%0.768SS**  trans-142.5100.3161.7-149.5-18.9000111.9N648 Q652N648-N650 PolarHBondContact O-N 3.48Å; N650-Q652 PolarHBondContact O-N 3.36Å
651V28.7Very low29.4Very low143 Ų143141.6 Ų141.687%0.86776%0.759SS**  trans-85.6105.6174.2174.60000108.4
652Q28.5Very low29.4Very low149 Ų149141.5 Ų141.570%0.69676%0.758SS**  trans-164.4133.7162.1-122.8-178.479.200114.7N650N650-Q652 PolarHBondContact O-N 3.36Å
653N29.3Very low29.4Very low105 Ų105139.8 Ų139.856%0.56176%0.756SS**  trans65.3150.7161.5-58-66000116.7
654K29.4Very low29Very low150 Ų150140.9 Ų140.965%0.65276%0.756SS**  cis-169.3147.5-18.2-116.5168.1-174.5140.20107.9
655Y31Very low29.2Very low204 Ų204140.7 Ų140.780%0.876%0.758SS**  trans62.2141.4171.7-58.2-66.6000114.8
656S28.5Very low29.2Very low119 Ų119138.6 Ų138.683%0.83275%0.751SS**  cis64.663.715.1-170.50000115.4
657G30Very low29.3Very low65 Ų65136.7 Ų136.767%0.6775%0.751SS**  trans173.6119.4161.400000114.3
658M29Very low30Very low180 Ų180134.6 Ų134.689%0.88774%0.739SS**  trans65.1162.6162.3-64.4-179.96300117.5
659L28.7Very low29.8Very low135 Ų135137.9 Ų137.971%0.70774%0.743SS**  cis179.1143.3-46.4-117.7169.3000106
660L29.7Very low30Very low150 Ų150139.3 Ų139.379%0.78574%0.736SS**  trans69.6122.7173-51.9163000113.9
661S26.7Very low29.9Very low105 Ų105138.3 Ų138.373%0.73473%0.731SS**  cis90151.327.5-53.80000115
662V29.9Very low30.3Very low113 Ų113138.9 Ų138.969%0.68573%0.728SS**  trans84.8106169.1178.40000115.8
663D28.1Very low30.9Very low129 Ų129137.1 Ų137.169%0.6973%0.73SS**  44.1152.8110.8-31.8-23.6000118.3
664D30.8Very low31Very low135 Ų135136.5 Ų136.572%0.72273%0.733SS**  cis-165.8-166.4-12.6-110.4-29.1000105.7
665E31Very low31.3Very low167 Ų167136.6 Ų136.678%0.7874%0.736SS**  trans67.2162.8159.2-56.6-51.3-178.400119.1
666E30.1Very low31.4Very low155 Ų155134.4 Ų134.472%0.72473%0.733SS**  cis-157121-28.4172.2177.2-149.700110.3
667T31.8Very low31.9Very low123 Ų123132.6 Ų132.676%0.75572%0.72SS**  trans47.2-139.7158.168.20000120.4
668P39.9Very low32Very low95 Ų95134.7 Ų134.762%0.61772%0.716SS**  -134.4178.9-103.237.8-18.1000118.7
669Y26.8Very low32.2Very low208 Ų208133.1 Ų133.182%0.81671%0.71SS**  trans82.1150.4147.4-94.9-66.1000122.2
670Q30.6Very low32.5Very low150 Ų150131.6 Ų131.670%0.70171%0.707SS**  trans91.4112.4146.1-79.8160.96.200122.3
671D30.3Very low32.6Very low124 Ų124129.6 Ų129.666%0.66370%0.701SS**  trans75111.6132.7-55.2-12000120
672L36.1Very low32.8Very low155 Ų155131 Ų13181%0.81270%0.699SS**  63.8147.972.6-69.7171.4000113.7
673P41.2Very low32.7Very low113 Ų113129.7 Ų129.773%0.73469%0.694SS**  cis-113.4-15411.633-11.4000111
674S31.4Very low32.7Very low91 Ų91129.1 Ų129.164%0.63670%0.696SS**  cis-163.9158.313.974.30000114.4
675H35.3Very low32.5Very low153 Ų153126.8 Ų126.871%0.70869%0.69SS**  trans34.6140.2132.6-56.7-44.1000122.1
676H34Very low32.3Very low158 Ų158125.2 Ų125.273%0.73169%0.687SS**  cis-158.3153.8-1.1-126-58000112.7D678H676-D678 IonicContact CE1-OD1 3.8Å; H676-D678 IonicContact CE1-OD2 3.48Å; H676-D678 PolarHBondContact CE1-OD2 2.73Å
677S37.4Very low32.1Very low81 Ų81123 Ų12357%0.56669%0.688SS**  trans94.693.6139.4-70.90000122.5
678D32.9Very low32Very low109 Ų109127.6 Ų127.658%0.58369%0.692SS**  83.5107104.6-56.7-19.8000118.7H676H676-D678 IonicContact CE1-OD1 3.8Å; H676-D678 IonicContact CE1-OD2 3.48Å; H676-D678 PolarHBondContact CE1-OD2 2.73Å
679L34.1Very low31.4Very low146 Ų146128.5 Ų128.576%0.76470%0.696SS**  87141.2100.7-94.781.2000112
680T34Very low31.5Very low104 Ų104126.2 Ų126.264%0.63870%0.697SS**  cis-158.21771.81.40000107.1I682T680-I682 HydrophobicContact CG2-CD1 4.2Å
681T31.7Very low31.3Very low107 Ų107122.5 Ų122.566%0.65669%0.692SS**  cis-152.5129.717-128.10000107.3
682I31Very low31Very low135 Ų135122.5 Ų122.569%0.69270%0.697SS**  65.1121.395.2-71.4174.2000111.7T680T680-I682 HydrophobicContact CG2-CD1 4.2Å
683S27.3Very low30.4Very low85 Ų85124.1 Ų124.159%0.59470%0.697SS**  cis-169.1157.88.8-124.40000117.1
684T28.2Very low30Very low117 Ų117124.5 Ų124.572%0.71870%0.698SS**  12.6145.2124.370.20000119
685S27.7Very low29.8Very low86 Ų86125.8 Ų125.860%0.60170%0.704SS**  cis174.1-156.10.651.40000108.9
686N27.6Very low29.5Very low135 Ų135123.7 Ų123.772%0.72270%0.701SS**  trans80.881.8150.7-62.3-12.7000119.7
687S25.3Very low29.1Very low107 Ų107125.4 Ų125.475%0.74870%0.703SS**  71.8-171.6119.480.20000118.7
688R28.8Very low28.6Very low220 Ų220128.6 Ų128.683%0.8371%0.713SS**  trans70.2100.1164.1-87.9-172.3176.7-164.6-0.3119.1
689T27.6Very low28.2Very low114 Ų114127 Ų12770%0.69971%0.71SS**  60134.1119.456.80000121.7
690L28.2Very low27.9Very low160 Ų160128.3 Ų128.384%0.83871%0.71SS**  trans83.1143139.7-107.872.2000119.5
691A26.4Very low27.5Very low72 Ų72128.1 Ų128.160%0.59571%0.712SS**  trans61.6109.5144.200000117.1
692T24.7Very low27.2Very low124 Ų124132.3 Ų132.376%0.76172%0.717SS**  34.189.675.470.60000114
693K24.6Very low27.3Very low189 Ų189134.2 Ų134.282%0.82272%0.72SS**  179.8120.9123.9-96148.6-168175.40111.8P695K693-P695 VanDerWaalsContact O-CD 3.26Å; K693-P695 WeakPolarHBondContact O-CD 3.4Å
694T32Very low27.2Very low122 Ų122136.3 Ų136.375%0.74872%0.724SS**  trans-36124142.6-13.10000112.2
695P26.3Very low27.4Very low117 Ų117136.9 Ų136.976%0.7672%0.719SS**  trans-91.6125.4143.8-4.526.3000106.8K693K693-P695 VanDerWaalsContact O-CD 3.26Å; K693-P695 WeakPolarHBondContact O-CD 3.4Å
696V28.9Very low27.6Very low109 Ų109139.2 Ų139.266%0.66172%0.723SS**  cis51.197.424.6-173.10000108.4
697Y27.2Very low27.9Very low195 Ų195137.8 Ų137.877%0.76572%0.722SS**  cis-176.8-173.427-144.9-149000106.8
698L26.1Very low28.1Very low147 Ų147138.2 Ų138.277%0.7772%0.72SS**  trans65.6155.3158.7-57.4149.2000114
699S25.1Very low27.8Very low75 Ų75131.9 Ų131.952%0.52471%0.709SS.*  cis-179164-9.7-105.80000106.8
700K27.1Very low27.9Very low174 Ų174135.5 Ų135.576%0.75772%0.718SS**  trans43.8107.4139.8-59.3164.9-173.2177.90118.6
701C25.7Very low27.8Very low101 Ų101132.9 Ų132.968%0.68271%0.709SS**  67.1166.9124.9-51.60000119.1
702Y25.9Very low27.8Very low195 Ų195137 Ų13777%0.76572%0.716SS**  trans64.7104.1173.4-51-71.4000112.9
703K32.1Very low28Very low174 Ų174136.8 Ų136.876%0.75771%0.71SS**  cis46.76445.4-157.1-177.6-177.5176.90110.9E705K703-E705 WeakPolarHBondContact CE-OE1 3.45Å
704N25.8Very low28.2Very low129 Ų129134.7 Ų134.769%0.6971%0.706SS**  trans-146.897155.4-77.1-49.7000103.2
705E32.8Very low28Very low129 Ų129134 Ų13460%0.60370%0.702SS**  cis61.9143.241.1-144.1-172.5-82.400111K703K703-E705 WeakPolarHBondContact CE-OE1 3.45Å
706I30.7Very low28.2Very low135 Ų135136.7 Ų136.769%0.69270%0.702SS**  trans72.6139.8171.9-50.9165.5000114.6
707P35Very low28.2Very low106 Ų106137 Ų13769%0.68871%0.709SS**  cis-116.5-166.1-21.835.6-16.6000110.1
708T28.7Very low28.2Very low115 Ų115132.8 Ų132.871%0.70671%0.708SS**  cis-154.4110.913.3-170000104.6
709S23.4Very low28.4Very low88 Ų88131.1 Ų131.162%0.61570%0.704SS**  47.383.778.179.30000114.8
710Q29.1Very low28.5Very low190 Ų190133.3 Ų133.389%0.88871%0.713SS**  trans-143.169.7138.9-120.8169.812.400112
711T26.4Very low28.8Very low104 Ų104129.4 Ų129.464%0.63871%0.708SS**  16.6141.6110.5-26.60000117.3
712Q26.9Very low29.1Very low159 Ų159129.8 Ų129.874%0.74370%0.704SS**  trans73.3121.3172.4-40.5174.66.900112.4
713N29.1Very low29.2Very low120 Ų120122.8 Ų122.864%0.64268%0.683SS**  cis-143.2155.822.6-73.5-79.7000108.4
714I27.1Very low29.1Very low144 Ų144121.6 Ų121.674%0.73868%0.678SS**  52.9146.958.5-44.4172000110.7
715V29.7Very low29.2Very low109 Ų109117.7 Ų117.766%0.66166%0.659SS**  trans77.1120.1176.4-173.90000114.3
716K29.5Very low28.8Very low173 Ų173116.4 Ų116.475%0.75265%0.652SS**  cis-167.8170.4-9-120.1170.5-133.3162.90108.6
717S29.2Very low28.5Very low115 Ų115112.9 Ų112.980%0.80464%0.639SS**  trans66.4145.8155.435.90000117.9
718S27.7Very low27.9Very low107 Ų107112.2 Ų112.275%0.74863%0.633SS**  cis-171.6150.1-8.4158.50000110.3
719T28.7Very low27.7Very low112 Ų112112.3 Ų112.369%0.68763%0.634SS**  cis-170.1163.2-26.2-48.40000105.4
720V29Very low27.8Very low120 Ų120114.3 Ų114.373%0.72764%0.638SS**  trans67.798.8167.9-168.60000113
721S33Very low27.6Very low92 Ų92112.7 Ų112.764%0.64363%0.63SS**  cis57.2112.935.7175.70000115
722N31.7Very low27.6Very low110 Ų110113.8 Ų113.859%0.58863%0.632SS**  -158.975.8127.1-92.2-15.9000113.5
723S28Very low27.6Very low48 Ų48112.3 Ų112.334%0.33663%0.629SS.*  69.1104.3115.558.20000123.3V1919S723-V1919 WeakPolarHBondContact O-CG1 3.35Å; S723-V1919 VanDerWaalsContact OG-CG1 3.29Å; S723-V1919 WeakPolarHBondContact OG-CG1 3.27Å
724K30.7Very low27.6Very low148 Ų148113.8 Ų113.864%0.64364%0.637SS**  83162.5105-158.9-158.4179.6-166.60117.3H1920 S1921K724-H1920 PolarHBondContact NZ-O 2.87Å; K724-S1921 VanDerWaalsContact CE-CB 3.43Å
725V26.9Very low27.7Very low48 Ų48110.7 Ų110.729%0.29163%0.633SS.*  trans121.4143137.1-173.10000123.2V1919 H1920 S1921V725-V1919 HydrophobicContact CG2-CG1 4.21Å; V725-H1920 HydrophobicContact CB-CB 4.19Å; V725-H1920 WeakPolarHBondContact CB-CD2 3.33Å; V725-H1920 HydrophobicContact CG1-CB 4.03Å; V725-H1920 WeakPolarHBondContact CG1-CD2 3.44Å; V725-H1920 WeakPolarHBondContact CG1-ND1 3.43Å; V725-H1920 HydrophobicContact CG2-CB 3.43Å; V725-H1920 VanDerWaalsContact CG2-CB 3.43Å; V725-H1920 WeakPolarHBondContact CG2-CD2 3.26Å; V725-S1921 VanDerWaalsContact CG1-CA 3.49Å; V725-S1921 VanDerWaalsContact CG2-CB 3.49Å
726H24.6Very low27.8Very low101 Ų101109.5 Ų109.547%0.46863%0.626SS.*  trans53105.8151.8-81.2-69.3000122.9S1922H726-S1922 PolarHBondContact CE1-N 3.42Å; H726-S1922 PolarHBondContact NE2-N 3.48Å
727C23.1Very low28Very low61 Ų61109 Ų10941%0.41263%0.628SS.*  62.9137.1103.9-62.90000123.7N1923C727-N1923 PolarHBondContact SG-OD1 3.41Å
728T24.2Very low28.2Very low93 Ų93106.5 Ų106.557%0.57161%0.606SS**  trans75.5116.6134.548.80000121.3I1924T728-I1924 HydrophobicContact CG2-CD1 4.1Å; T728-I1924 HydrophobicContact CG2-CG1 4.43Å
729T24Very low28.8Very low117 Ų117106.1 Ų106.172%0.71860%0.601SS**  trans60.8135.4132.958.70000121.3
730N24.6Very low28.9Very low129 Ų129102.3 Ų102.369%0.6958%0.578SS**  trans70158.7149.6-82.933.5000117.6
731E25Very low29.3Very low156 Ų156103 Ų10373%0.72958%0.577SS**  trans54126.7149.9-71.1149.7-119.300116.4
732N26Very low29.1Very low127 Ų127103.4 Ų103.468%0.67957%0.567SS**  cis166.2-165.72.9-115.911.2000102.9
733D27.8Very low29Very low129 Ų129103.1 Ų103.169%0.6957%0.573SS**  trans60108.9151.2-52.3-20.6000118.5
734D28.9Very low28.9Very low150 Ų150106.5 Ų106.580%0.80259%0.585SS**  69.9113.7125.5-65.2-3.6000119
735A30.2Very low28.7Very low80 Ų80106.7 Ų106.766%0.66159%0.593SS**  93.1147.679.700000111
736T30.7Very low28.8Very low84 Ų84111.6 Ų111.652%0.51562%0.617SS.*  cis-156.4154.1-3.23.80000108.1E50E50-T736 HydrophobicContact CB-CG2 4.03Å; E50-T736 HydrophobicContact CG-CG2 4.17Å; E50-T736 WeakPolarHBondContact OE2-CB 3.46Å; E50-T736 WeakPolarHBondContact OE2-CG2 3.07Å
737M32.9Very low28.7Very low161 Ų161111.9 Ų111.979%0.79363%0.631SS**  trans-18077145-80.9-17.7-7900107.6E50E50-M737 WeakPolarHBondContact OE1-CE 3.21Å; E50-M737 WeakPolarHBondContact OE2-CA 3.3Å; E50-M737 PolarHBondContact OE2-N 2.68Å
738D34.4Very low28.9Very low63 Ų63116.7 Ų116.734%0.33765%0.649SS.*  trans-63.1174.6176.2-152.534.9000111E50 V51 T740E50-D738 HydrophobicContact CB-CB 3.7Å; E50-D738 VanDerWaalsContact CD-N 3.26Å; E50-D738 HydrophobicContact CG-CB 4.13Å; E50-D738 PolarHBondContact OE1-N 3.02Å; E50-D738 WeakPolarHBondContact OE2-CB 3.4Å; E50-D738 PolarHBondContact OE2-N 3.13Å; V51-D738 HydrophobicContact CG2-CB 4.39Å; V51-D738 PolarHBondContact N-OD2 2.96Å; D738-T740 PolarHBondContact OD1-N 3.49Å; D738-T740 WeakPolarHBondContact OD2-CB 3.32Å; D738-T740 WeakPolarHBondContact OD2-CG2 3.39Å; D738-T740 PolarHBondContact OD2-N 2.97Å; D738-T740 PolarHBondContact OD2-OG1 3.48Å
739P39.7Very low29.2Very low100 Ų100122 Ų12265%0.64967%0.665SS**  -134.911861.135.8-17.5000116.7V51V51-P739 HydrophobicContact CB-CB 3.76Å; V51-P739 HydrophobicContact CG1-CB 3.52Å; V51-P739 HydrophobicContact CG2-CB 4.2Å
740T32.3Very low29.3Very low31 Ų31122.4 Ų122.419%0.1967%0.666CS.*  trans17.2141.5131.829.70000119.6V51 E53 D738V51-T740 WeakPolarHBondContact CA-OG1 3.39Å; V51-T740 VanDerWaalsContact CB-OG1 3.29Å; V51-T740 WeakPolarHBondContact CB-OG1 3.4Å; V51-T740 PolarHBondContact N-OG1 3.34Å; V51-T740 PolarHBondContact O-OG1 3.46Å; E53-T740 WeakPolarHBondContact CG-O 3.24Å; D738-T740 PolarHBondContact OD1-N 3.49Å; D738-T740 WeakPolarHBondContact OD2-CB 3.32Å; D738-T740 WeakPolarHBondContact OD2-CG2 3.39Å; D738-T740 PolarHBondContact OD2-N 2.97Å; D738-T740 PolarHBondContact OD2-OG1 3.48Å
741L37.4Very low29.3Very low136 Ų136121 Ų12171%0.71267%0.667SS**  cis67.290.430.7-54.9172.7000116.6E53E53-L741 VanDerWaalsContact CD-N 3.35Å; E53-L741 VanDerWaalsContact OE2-C 3.26Å; E53-L741 WeakPolarHBondContact OE2-CA 3.46Å; E53-L741 PolarHBondContact OE2-N 2.93Å
742K28.7Very low29.4Very low100 Ų100119.2 Ų119.244%0.43567%0.667SS.*  trans-131.282.6146.4-110.2101.9-164.2176.50112.6V51 E53V51-K742 PolarHBondContact O-NZ 3.23Å; E53-K742 HydrophobicContact CB-CB 3.89Å; E53-K742 WeakPolarHBondContact O-CB 3.45Å; E53-K742 PolarHBondContact OE2-N 3.39Å
743S28.1Very low29.5Very low103 Ų103118.6 Ų118.672%0.7267%0.672SS**  trans-29.5135.1150.350.60000114.8
744M26.9Very low29.4Very low119 Ų119117.6 Ų117.659%0.58667%0.671SS**  trans-164.694.9149.6-115.3167.6-75.900113.4K55K55-M744 HydrophobicContact CD-CE 3.98Å; K55-M744 HydrophobicContact CD-SD 4.06Å; K55-M744 PolarHBondContact NZ-SD 3.01Å
745N25.5Very low29.3Very low152 Ų152115.7 Ų115.781%0.81367%0.665SS**  45.7153122-143.2-15.5000121.1
746L29.6Very low29.1Very low151 Ų151116.8 Ų116.879%0.79167%0.667SS**  trans-44156.7-170.3-94.459.2000118.1
747S23.9Very low28.9Very low108 Ų108121.3 Ų121.376%0.75569%0.688SS**  trans80.5107.1164.975.30000117.7
748M26.3Very low28.6Very low161 Ų161116.4 Ų116.479%0.79367%0.673SS**  -156.2121.2105.8-102.3-176.1-66.600110.9V750M748-V750 PolarHBondContact O-N 2.88Å
749F29.7Very low28.5Very low206 Ų206120.3 Ų120.390%0.90470%0.701SS**  trans-70.1121.3162.7-83.3-104.2000109.2
750V27.1Very low28Very low124 Ų124120.1 Ų120.175%0.75270%0.702SS**  trans-140.3117.7148.6-176.80000109.1M748M748-V750 PolarHBondContact O-N 2.88Å
751S24.7Very low27.8Very low101 Ų101126.1 Ų126.171%0.70673%0.728SS**  trans-75136.4177-38.70000111.7
752T26.1Very low27.3Very low117 Ų117126.5 Ų126.572%0.71874%0.737SS**  trans-130.869.4163.843.60000112.2V754T752-V754 HydrophobicContact CG2-CG2 4.2Å; T752-V754 PolarHBondContact O-N 3.45Å
753S29.5Very low27.2Very low114 Ų114123.8 Ų123.880%0.79774%0.737SS**  trans-66.478.3151.544.30000109.7
754V25.9Very low27.1Very low108 Ų108124.6 Ų124.666%0.65574%0.738SS**  trans-127.774.7179.8-176.70000107.9T752T752-V754 HydrophobicContact CG2-CG2 4.2Å; T752-V754 PolarHBondContact O-N 3.45Å
755T26.4Very low27.4Very low111 Ų111128 Ų12868%0.68175%0.745SS**  62.2118.896.263.80000115.3
756S26.4Very low27.6Very low102 Ų102126.3 Ų126.371%0.71374%0.74SS**  trans53.9100.614662.10000119
757L26.1Very low27.9Very low180 Ų180126.9 Ų126.994%0.94274%0.742SS**  -114.7105.9121.9-79.2175.7000108.5
758A26.9Very low28.3Very low58 Ų58128.9 Ų128.948%0.47974%0.744SS.*  trans-85.8151.5167.400000109.3S760A758-S760 PolarHBondContact O-N 2.95Å
759P32.1Very low28.6Very low144 Ų144124.7 Ų124.794%0.93574%0.743SS**SBendtrans-71.462.4157.933-34.3000109.4
760S27.9Very low28.8Very low96 Ų96118.5 Ų118.567%0.67174%0.737SS**  trans-121.342.9177.974.60000111.2A758A758-S760 PolarHBondContact O-N 2.95Å
761Q28.3Very low29.1Very low157 Ų157120.8 Ų120.873%0.73475%0.745SS**  trans-122.9113162.6-70-161.78.500110.3G763Q761-G763 PolarHBondContact O-N 2.9Å
762T27.1Very low29.6Very low145 Ų145119 Ų11989%0.8974%0.742SS**  trans-66.879.6152.4-510000107.2T764T762-T764 PolarHBondContact O-N 3.12Å
763G27.1Very low30.3Very low42 Ų42120.1 Ų120.143%0.43374%0.743SS.*  trans-91.982.3-169.800000113Q761 Y765Q761-G763 PolarHBondContact O-N 2.9Å; G763-Y765 PolarHBondContact O-N 2.98Å
764T26.8Very low30.8Very low121 Ų121120.6 Ų120.674%0.74274%0.736SS**  trans-73.990.7171-55.30000110.1T762 V766T762-T764 PolarHBondContact O-N 3.12Å; T764-V766 HydrophobicContact CG2-CG2 4.4Å; T764-V766 PolarHBondContact O-N 2.76Å
765Y31.5Very low31.6Very low190 Ų190117.9 Ų117.975%0.74572%0.718SS**  trans-81.697.3170.7-77.5-83.1000110.5G763G763-Y765 PolarHBondContact O-N 2.98Å
766V29.5Very low32.3Very low117 Ų117117.8 Ų117.871%0.70971%0.714SS**  trans-75.1118.9158.2178.70000107.2T764 D768T764-V766 HydrophobicContact CG2-CG2 4.4Å; T764-V766 PolarHBondContact O-N 2.76Å; V766-D768 HydrophobicContact CG1-CB 4.2Å
767I36.9Very low32.8Very low162 Ų162116 Ų11683%0.83170%0.696SS**  trans-109.4118.2158.5-63-178.6000105.6
768D32.5Very low33.4Very low150 Ų150112.9 Ų112.980%0.80268%0.68SS**  trans-108.8159-173.4-173.715.9000109.7V766V766-D768 HydrophobicContact CG1-CB 4.2Å
769G32.3Very low33.8Very low74 Ų74115.8 Ų115.876%0.76369%0.688SS**  trans87.4102.7175.400000115.2
770G33.4Very low33.9Very low76 Ų76115.5 Ų115.578%0.78468%0.678SS**  trans-175.467.2175.800000112.2
771D34Very low34.1Very low171 Ų171115.9 Ų115.991%0.91467%0.673SS**  trans-57.2142.8-176.6-71.8-54.3000113.8
772G35.9Very low34.5Very low63 Ų63116 Ų11665%0.64968%0.679SS**  trans155.881.6-174.100000109.4
773I39.8Very low34.7Very low141 Ų141115.1 Ų115.172%0.72367%0.668SS**  49.110565.6-52.8176.7000109.4
774D39.5Very low35.2Very low124 Ų124118.7 Ų118.766%0.66368%0.682SS**  cis-162.4164.5-0.2-117.7-5.1000108.4
775D43.7Very low35.6Very low51 Ų51119.1 Ų119.127%0.27368%0.679SS.*  trans91.5149.7140.1-75.132.9000124.5D253 I254D253-D775 HydrophobicContact CB-CB 3.86Å; I254-D775 HydrophobicContact CB-CB 4.06Å; I254-D775 HydrophobicContact CG2-CB 4.01Å; I254-D775 WeakPolarHBondContact CG2-OD1 3.49Å; I254-D775 PolarHBondContact N-OD2 2.74Å
776D40.5Very low35.8Very low110 Ų110117.5 Ų117.559%0.58868%0.679SS**  trans-165.3-101.6-161.9-168.275.7000115.6D253 I254D253-D776 CarbonylContact C-O 3.42Å; D253-D776 VanDerWaalsContact C-O 3.24Å; D253-D776 PolarHBondContact N-O 3.41Å; D253-D776 CarbonylContact O-C 3.51Å; D253-D776 VanDerWaalsContact O-C 3.29Å; I254-D776 HydrophobicContact CB-CB 4.34Å; I254-D776 VanDerWaalsContact CB-N 3.31Å; I254-D776 HydrophobicContact CD1-CB 3.8Å; I254-D776 HydrophobicContact CG1-CB 3.97Å
777N37.8Very low36.2Very low64 Ų64116.3 Ų116.334%0.34267%0.668SS.*  trans9163.7176.8-91.323.2000122.5I254 N255I254-N777 HydrophobicContact CB-CB 4.24Å; I254-N777 HydrophobicContact CG1-CB 3.59Å; N255-N777 PolarHBondContact O-ND2 3.4Å
778D37.1Very low36.1Very low115 Ų115116.4 Ų116.462%0.61566%0.663SS**  cis-151.517811.4-138.8-32000113.9
779D35.5Very low36.4Very low118 Ų118115.1 Ų115.163%0.63166%0.656SS**  trans-18.9143.2153.1-92.6-16.9000117.8
780N35.6Very low36.6Very low138 Ų138118.1 Ų118.174%0.73865%0.65SS**  -166.4124.9100.8-109-83.1000116.2
781N32Very low36.8Very low104 Ų104122.1 Ų122.156%0.55665%0.648SS**  trans21.6126.9133.9-67.8-67.4000120.2
782N35.9Very low36.7Very low161 Ų161118.1 Ų118.186%0.86163%0.633SS**  -150.976.9115.9-106.9-54.5000113.4
783N32Very low36.8Very low125 Ų125122.4 Ų122.467%0.66864%0.641SS**  trans-9.7134.4143.6-176.65.4000116.7
784T36.1Very low36.4Very low117 Ų117123.7 Ų123.772%0.71864%0.644SS**  trans-155106.9154-8.60000112.4
785N35.2Very low36.3Very low130 Ų130126.3 Ų126.370%0.69565%0.652SS**  54.1121.7129.6-63.2-0.5000118.3
786Q37Very low35.7Very low157 Ų157130.4 Ų130.473%0.73467%0.674SS**  cis-164.3155.541.7-84.4-149.4-104.900115.6
787D36.5Very low35.5Very low91 Ų91131.5 Ų131.549%0.48768%0.679SS.*  trans75.6108134.4-67.114000124.5
788F35.9Very low35.3Very low164 Ų164136 Ų13672%0.71970%0.697SS**  79.6143.9122.1-59.7-21.5000121.1
789L37.6Very low35.2Very low124 Ų124136.1 Ų136.165%0.64970%0.697SS**  cis-158.7140.3-15.8-99.6169.3000110.1
790Q37.4Very low35.2Very low137 Ų137138.9 Ų138.964%0.6470%0.7SS**  trans73.9123.1135.9-74.1176.4-42.400125.6
791H38.1Very low35.2Very low159 Ų159138.5 Ų138.574%0.73669%0.692SS**  81.5104.6127.6-61.8-34.1000121.6
792S31.3Very low35.5Very low88 Ų88138.8 Ų138.862%0.61569%0.694SS**  34140.896.5-34.50000117.9
793D37.4Very low35.6Very low152 Ų152136.9 Ų136.981%0.81368%0.684SS**  -162.3173.652.8-103.2-48.1000114.4
794E31.5Very low35.8Very low169 Ų169137.3 Ų137.379%0.7969%0.686SS**  trans-72.3149.4171.4-49.9178.8145.600112.9
795Q37.2Very low35.9Very low178 Ų178138.1 Ų138.183%0.83269%0.685SS**  177120.3123.9-97.7162.586.400115.5
796N32.4Very low36Very low137 Ų137138.2 Ų138.273%0.73368%0.684SS**  65.9158.9111.6-141.9-1.3000122.3
797I36.6Very low35.8Very low133 Ų133137 Ų13768%0.68269%0.687SS**  trans79.192.8154.4-74.5156.8000120.4
798H32.8Very low35.9Very low158 Ų158138 Ų13873%0.73170%0.699SS**  88.9102.1103.8-135.7-129000122.8
799L34.8Very low35.6Very low118 Ų118142 Ų14262%0.61871%0.709SS**  75.1154.2127.4-71.1-169.7000124.5
800Y35Very low35.5Very low176 Ų176139.9 Ų139.969%0.6972%0.718SS**  trans81.6139.9146-86.1-159.3000118.5
801K37.6Very low35.4Very low130 Ų130139 Ų13957%0.56573%0.727SS**  cis-168.1177.4-11.9-140.6-178.6178172.50111.9
802D37.7Very low35.6Very low110 Ų110136.5 Ų136.559%0.58873%0.725SS**  trans70.6147.8151.5-60-24.6000119
803N37.3Very low35.6Very low122 Ų122140.5 Ų140.565%0.65273%0.731SS**  cis-166.9-179.5-24.8-105.6-17.7000110.6
804D36.6Very low35.3Very low133 Ų133143 Ų14371%0.71173%0.729SS**  trans74.7140.7152.5-64.6-11.4000120.5
805L37.2Very low35.4Very low134 Ų134141 Ų14170%0.70272%0.723SS**  cis-162.8163.6-17.3-116.3169.1000110.7
806I37.4Very low35.1Very low133 Ų133139.7 Ų139.768%0.68272%0.721SS**  trans7787154.2-65.1157.5000119.6
807T33.2Very low35.3Very low130 Ų130139.4 Ų139.480%0.79872%0.724SS**  38.9159.9111.7450000124.1
808P38.5Very low35Very low113 Ų113136.6 Ų136.673%0.73472%0.721SS**  trans-131.9-142.1-151.445.2-26.3000114.1
809R30.7Very low35.1Very low247 Ų247137.4 Ų137.493%0.93273%0.725SS**  trans89.8142.9176.2-59.1170.2154.4171.5-7115.1
810G34.2Very low35.2Very low80 Ų80135.1 Ų135.183%0.82573%0.73SS**  trans168.727.2175.200000120.7
811S36.1Very low35.4Very low119 Ų119134.5 Ų134.583%0.83273%0.733SS**  trans-74.8143.2159.4-46.10000108.5
812P41.5Very low35.4Very low107 Ų107135 Ų13570%0.69574%0.741SS**  -160.5177.881.643.5-23.7000118.1
813K32.3Very low35.2Very low171 Ų171137.2 Ų137.274%0.74375%0.752SS**  trans57114.8137.2-79.6169.3-177.61740121.7
814R31.2Very low35.1Very low205 Ų205135.2 Ų135.277%0.77474%0.741SS**  85.1163115.2-85.7-168.6-178.4163.6-1.3121.6
815D32.8Very low35Very low126 Ų126134.2 Ų134.267%0.67473%0.728SS**  trans63.2107.6162.9-49.9-28.9000115.2
816I32.1Very low34.8Very low152 Ų152136.7 Ų136.778%0.77973%0.728SS**  cis63.995.348.8-46.6169.4000112.4
817T34.9Very low34.4Very low131 Ų131134.4 Ų134.480%0.80472%0.723SS**  trans177.6118.5146-72.60000105.3
818A32.2Very low34.2Very low73 Ų73133.2 Ų133.260%0.60372%0.716SS**  cis92.8153.334.100000114.4
819E34.2Very low33.8Very low175 Ų175133.7 Ų133.782%0.81871%0.713SS**  trans71.4156.8173.5-47.6-45.5125.700120.2
820G37.7Very low33.9Very low70 Ų70129.4 Ų129.472%0.72270%0.703SS**  trans101.559.5169.800000117
821E37.7Very low33.7Very low164 Ų164131.8 Ų131.877%0.76670%0.696SS**  92.2121.570.1-76.5-141.4123.300117.6
822L37.9Very low33.5Very low139 Ų139129.7 Ų129.773%0.72868%0.681SS**  trans67.2103.8136-60.4176.7000123.5
823L34.2Very low32.9Very low157 Ų157130 Ų13082%0.82268%0.677SS**  trans-24.5140.8146.2-67.2159000116.9
824N34.1Very low32.7Very low80 Ų80127.7 Ų127.743%0.42867%0.673SS.*  trans-153.175.9159.3-124.8-44000116.8S442 R443 S444S442-N824 CarbonylContact C-O 3.55Å; R443-N824 WeakPolarHBondContact CA-O 3.5Å; R443-N824 PolarHBondContact N-O 3Å; S444-N824 PolarHBondContact N-OD1 3.3Å
825R35.7Very low32.7Very low112 Ų112125.6 Ų125.642%0.42367%0.672SS.*  trans53.3139.9136-46.3165.7-178.3138.6-23.6121.6R443 S444 N445 L446R443-R825 CarbonylContact C-O 2.99Å; R443-R825 WeakPolarHBondContact CA-O 3.45Å; R443-R825 PolarHBondContact N-O 3.28Å; S444-R825 WeakPolarHBondContact O-CB 3.42Å; N445-R825 PolarHBondContact OD1-NH1 3.08Å; N445-R825 VanDerWaalsContact OD1-NH1 3.13Å; N445-R825 PolarHBondContact OD1-NH2 3.2Å; N445-R825 VanDerWaalsContact OD1-NH2 3.16Å; L446-R825 VanDerWaalsContact N-NH2 3.11Å
826R31.9Very low32.5Very low187 Ų187127.1 Ų127.171%0.70668%0.675SS**  trans56.5143140.3-110.6-175.3-173.4170.32.2118.2S444S444-R826 VanDerWaalsContact O-CB 3.22Å; S444-R826 WeakPolarHBondContact O-CB 3.47Å
827S29.5Very low32.4Very low84 Ų84125.3 Ų125.359%0.58767%0.671SS**  cis179.316229-1550000110.5
828T29.5Very low32.2Very low105 Ų105126.6 Ų126.664%0.64467%0.666SS**  trans51.712115147.80000121.7
829N30.1Very low32Very low124 Ų124130.6 Ų130.666%0.66367%0.672SS**  trans44127.7130.9-38.8-5.7000120.2
830H31.4Very low31.7Very low156 Ų156128.2 Ų128.272%0.72266%0.664SS**  162150.590.7-99.1-59.8000113.6
831L30.3Very low31.8Very low130 Ų130130.4 Ų130.468%0.68167%0.666SS**  trans64.5152.8159.1-91.366.8000116.1
832S32.7Very low31.3Very low75 Ų75129.1 Ų129.152%0.52466%0.659SS.*  cis-145.8134-11.6-1550000105.6
833N29Very low31.2Very low113 Ų113131.2 Ų131.260%0.60466%0.663SS**  cis64.3117.748-149.518.2000113
834N28.2Very low31Very low124 Ų124129.4 Ų129.466%0.66365%0.65SS**  trans47.7116.9164.5-57.7-40.7000119.9
835Q30.4Very low30.8Very low161 Ų161132 Ų13275%0.75266%0.658SS**  -172.7119.7112.3-99.1149.2103.100109.4
836Q29.3Very low30.5Very low157 Ų157132.6 Ų132.673%0.73467%0.669SS**  73.1152.995.8-70-175.18.700114.9
837T29.4Very low30.7Very low114 Ų114132.2 Ų132.270%0.69967%0.673SS**  trans73.4146.9164.876.20000117.2
838K30Very low30.8Very low159 Ų159134.7 Ų134.769%0.69168%0.675SS**  cis-160.2147.2-19.4-113.3166.1-170.5172.20108.2
839Q28.4Very low31Very low157 Ų157134.8 Ų134.873%0.73467%0.672SS**  trans59.9127.3143.8-67160.9-2300120.3
840L28.7Very low30.9Very low125 Ų125133.2 Ų133.265%0.65467%0.671SS**  trans-6.8142.7132.3-51.4116.6000115.6Q842L840-Q842 HydrophobicContact CB-CB 3.91Å; L840-Q842 HydrophobicContact CD2-CB 3.73Å; L840-Q842 HydrophobicContact CD2-CG 4.33Å; L840-Q842 HydrophobicContact CG-CB 4.45Å
841P39.2Very low31Very low116 Ų116133 Ų13375%0.75367%0.672SS**  -101.6152.864.1-11.729.9000113.2F843P841-F843 HydrophobicContact CB-CD2 4.31Å
842Q27.9Very low31.1Very low136 Ų136133.4 Ų133.464%0.63667%0.674SS**  cis63.460.712.5-153.117814.800116L840L840-Q842 HydrophobicContact CB-CB 3.91Å; L840-Q842 HydrophobicContact CD2-CB 3.73Å; L840-Q842 HydrophobicContact CD2-CG 4.33Å; L840-Q842 HydrophobicContact CG-CB 4.45Å
843F34.5Very low31.2Very low183 Ų183135 Ų13580%0.80368%0.682SS**  -134.2107.8129.9-78.3-71.6000106.1P841P841-F843 HydrophobicContact CB-CD2 4.31Å
844E30.3Very low31.1Very low119 Ų119134.7 Ų134.756%0.55668%0.684SS**  cis72.6144.546.6-154.1-147.5-167.400112.3
845K31.1Very low31.2Very low135 Ų135135.7 Ų135.759%0.58769%0.685SS**  trans69.7101.6-172.9-80.791.1-158.9-176.10116.3
846D29.6Very low31.4Very low124 Ų124135.7 Ų135.766%0.66369%0.685SS**  46.1121.1103.1-39.5-18.8000116.3
847F35.5Very low31.7Very low180 Ų180133.6 Ų133.679%0.78968%0.683SS**  -141.1127.391.6-118.5-96.6000106
848E31.4Very low31.8Very low135 Ų135136.2 Ų136.263%0.63169%0.687SS**  42.8114.276.9-101.7-160.6-135.900110.3
849N32.8Very low31.6Very low108 Ų108134.3 Ų134.358%0.57869%0.689SS**  cis-138.3172.821.1-95.5-71000107.6
850S29.7Very low31.6Very low90 Ų90132.8 Ų132.863%0.62969%0.685SS**  48148.458.6120.80000110.7
851M32.6Very low31.5Very low152 Ų152133.8 Ų133.875%0.74970%0.696SS**  cis-163.9174.437.3-157.4-173178.200108.4
852L32.1Very low31Very low138 Ų138131.8 Ų131.872%0.72369%0.69SS**  trans76.9138.7161.1-56174.9000114.7
853P34.3Very low30.8Very low108 Ų108134 Ų13470%0.70170%0.7SS**  -133.9-106-81.326.4-3.6000108.3
854V28.7Very low30.4Very low107 Ų107133.3 Ų133.365%0.64870%0.699SS**  trans59.3108.4152.2169.10000116.4
855E29.1Very low30.2Very low145 Ų145135.4 Ų135.468%0.67871%0.708SS**  cis-167.9171.7-9.6-128.6157.6-140.400109.6
856H34.9Very low29.9Very low162 Ų162139.5 Ų139.575%0.7572%0.722SS**  trans42.5133.8150.4-75.8-60.1000121.2
857V36.2Very low29.9Very low113 Ų113139 Ų13969%0.68573%0.728SS**  cis-134.4134.914.2-178.20000110.9T859V857-T859 HydrophobicContact CG1-CG2 4.45Å
858Q31.5Very low29.6Very low169 Ų169133.9 Ų133.979%0.7973%0.726SS**  trans-89.3101.3165.8-180178.8-1.400110.2
859T26Very low29.7Very low118 Ų118134.9 Ų134.972%0.72474%0.735SS**  trans-143.7125.1163.528.40000110.2V857V857-T859 HydrophobicContact CG1-CG2 4.45Å
860L27.6Very low30Very low125 Ų125139.2 Ų139.265%0.65475%0.749SS**  cis-179.5112.2-26.5-118.9164.1000104.7A862L860-A862 PolarHBondContact O-N 3.08Å
861T27.2Very low30.5Very low146 Ų146145.7 Ų145.790%0.89676%0.76SS**  trans-75.2113.9158.2-51.60000107.7
862A27.3Very low30.9Very low75 Ų75144.7 Ų144.762%0.6276%0.757SS**  trans-178.4131.7150.800000113.7L860L860-A862 PolarHBondContact O-N 3.08Å
863H24.5Very low31.2Very low182 Ų182144 Ų14484%0.84375%0.754SS**  trans-77.3113.7149.8-97-122.1000109.6
864H26.4Very low31.3Very low168 Ų168145 Ų14578%0.77875%0.753SS**  trans-141.7113.2145.5-89-60.4000106
865Q25.9Very low31.6Very low163 Ų163144.3 Ų144.376%0.76275%0.753SS**  51.948.361.1-64.9-160.2-11.400114.4
866Y24.9Very low31.7Very low222 Ų222145.1 Ų145.187%0.87176%0.76SS**  -112.7119.2109.7-91.9-107.1000106.5
867S29.2Very low31.5Very low114 Ų114142.7 Ų142.780%0.79776%0.762SS**  69.688.376.3-164.70000111.5
868G29.8Very low31.3Very low71 Ų71143.3 Ų143.373%0.73277%0.766SS**  trans173.334.2-172.100000117.6
869N32.7Very low31.4Very low157 Ų157142.1 Ų142.184%0.8477%0.77SS**  trans29.2113.5164.3-57.4-27.1000117.8
870K40.3Very low31.5Very low198 Ų198143 Ų14386%0.86177%0.77SS**  -16213065.7-71.9147.9-177.4176.90112.1
871R38.6Very low31.9Very low227 Ų227144.7 Ų144.786%0.85778%0.779SS**  trans41136.2133.3-69.7-171.6166.5-179.2-5.9120.8
872L42.8Very low31.9Very low131 Ų131143 Ų14369%0.68677%0.769SS**  cis-163.5146.61.5-87.1152000110.6
873N38.5Very low32.2Very low123 Ų123149.4 Ų149.466%0.65878%0.782SS**  trans54152.4137.5-59.337.5000122.5
874D35.6Very low32.6Very low130 Ų130144.9 Ų144.970%0.69577%0.768SS**  cis-165.8155.9-13.6-109.1-34.7000114.5
875S34.9Very low33.1Very low91 Ų91139.8 Ų139.864%0.63675%0.749SS**  trans44.1128.1147.8-59.80000122.9
876I31.9Very low33.3Very low163 Ų163136 Ų13684%0.83674%0.741SS**  73.6120.256.1-58.7163.3000112.1
877S30.6Very low33.9Very low111 Ų111133.7 Ų133.778%0.77674%0.744SS**  -167.9159.277.2-169.50000115.4
878T30.3Very low34.1Very low126 Ų126136.4 Ų136.477%0.77374%0.744SS**  trans-94.2169.9171.254.70000113.3
879V34.3Very low34.4Very low144 Ų144143.3 Ų143.387%0.87375%0.754SS**  trans-172.2149139.9137.30000112.3
880D28.1Very low34.4Very low137 Ų137140.8 Ų140.873%0.73375%0.746SS**  trans-76.1165.1178.1-106.2-62.7000115.2
881L35.8Very low34Very low159 Ų159138.7 Ų138.783%0.83274%0.743SS**  174.3125.1117.2-92.6167.2000116
882T27.7Very low33.3Very low112 Ų112133.1 Ų133.169%0.68774%0.738SS**  trans-41.5142.8172570000118.8
883K34.4Very low32.8Very low208 Ų208133.5 Ų133.590%0.90474%0.739SS**  trans-171.6143.5137.6-106.4155.3-172171.90115.6
884T31.7Very low32.2Very low88 Ų88132.7 Ų132.754%0.5474%0.739SS.*  trans-135178.5177.237.20000108.6Q1372 S1373T884-Q1372 PolarHBondContact OG1-O 3.34Å; T884-S1373 PolarHBondContact OG1-O 3.37Å
885P38.2Very low31.8Very low60 Ų60132.1 Ų132.139%0.3975%0.745SS.*  cis-135.5-170.3-24.428.9-5.4000113.7R1374P885-R1374 VanDerWaalsContact CD-O 3.24Å; P885-R1374 WeakPolarHBondContact CD-O 3.49Å; P885-R1374 WeakPolarHBondContact CG-O 3.46Å
886S30Very low31.4Very low84 Ų84133 Ų13359%0.58775%0.751SS**  trans45.3130.6141.362.80000122.6
887N37.3Very low31.1Very low173 Ų173131.4 Ų131.493%0.92575%0.749SS**  trans-135.7136.2147.3-111.3-32.7000109.5
888E32.7Very low30.9Very low172 Ų172131.9 Ų131.980%0.80475%0.747SS**  trans-100.1158.3-176.4-58.5177.815300112
889K35.7Very low30.6Very low216 Ų216130.6 Ų130.694%0.93974%0.742SS**  trans-157.991.5154.7-124.7179.6-175.3-176.80113.8
890P33.1Very low30.2Very low104 Ų104130.8 Ų130.868%0.67574%0.738SS**  trans-103.7140.5171.336.1-29.2000112.8
891L31.3Very low30.4Very low153 Ų153131 Ų13180%0.80174%0.744SS**  trans-161.8122.1161-135.670.1000105.7
892C24.5Very low30.1Very low110 Ų110131.9 Ų131.974%0.74374%0.744SS**  cis74.6152.437.8-147.20000113.5
893I32.9Very low30.4Very low139 Ų139131.9 Ų131.971%0.71374%0.744SS**  trans8796.1-156.2-54.7159.3000110.7
894T26.2Very low30.5Very low107 Ų107129.5 Ų129.566%0.65674%0.735SS**  cis79.1141.945.376.40000116.1
895S26.8Very low30.6Very low118 Ų118130.7 Ų130.783%0.82574%0.739SS**  trans87.6134.1159.3-51.70000118.5
896S25.5Very low30.4Very low109 Ų109133.5 Ų133.576%0.76275%0.75SS**  trans-74.7144.1160.747.20000110.9
897T27Very low30.7Very low130 Ų130137.3 Ų137.380%0.79876%0.756SS**  178122.6129.332.70000111.7
898V24.9Very low30.4Very low120 Ų120135.4 Ų135.473%0.72775%0.746SS**  38.7136.8115.41780000119.9
899C24.2Very low30.4Very low99 Ų99134.5 Ų134.567%0.66974%0.741SS**  trans94.4118156.1-87.20000121.3
900L26.5Very low30.2Very low149 Ų149130 Ų13078%0.7873%0.727SS**  trans65.1113.4132.4-59168.3000120.1
901T31.9Very low30.2Very low141 Ų141129.8 Ų129.887%0.86573%0.729SS**  -147.4111.8101.345.10000110.3
902E30Very low30.2Very low178 Ų178130.7 Ų130.783%0.83273%0.726SS**  trans-103133.6162.2175.5-178.6-15500107.3
903T33.8Very low30.5Very low111 Ų111132.2 Ų132.268%0.68173%0.727SS**  trans-145.3107.4172.552.70000111.4
904H35.8Very low30.6Very low158 Ų158134.5 Ų134.573%0.73173%0.732SS**  trans56.3136.5134.3-60.8-66.2000119.5
905D34.7Very low30.8Very low114 Ų114137.7 Ų137.761%0.6174%0.736SS**  cis-166.1154.88.5-129.68.6000111.9
906N34.5Very low31Very low118 Ų118137.5 Ų137.563%0.63173%0.726SS**  trans47.9139.6142.4-70.1-47.2000120.5
907K35.5Very low31.2Very low165 Ų165138 Ų13872%0.71772%0.724SS**  cis-172.1157.317.2-129.7171.7-175.21770110.4
908L31Very low31.3Very low133 Ų133139 Ų13970%0.69672%0.724SS**  trans41.7148.3136.6-100.557000121.1
909Q32Very low31.3Very low152 Ų152137.9 Ų137.971%0.7172%0.721SS**  cis-159179.918.1-159.6148.73.500113
910D31.4Very low31.4Very low121 Ų121141.2 Ų141.265%0.64773%0.727SS**  trans-43167.1164.3-47-97.6000114.5
911S33.6Very low31.4Very low101 Ų101141 Ų14171%0.70673%0.726SS**  cis-171138.236.163.90000117.2
912K31.8Very low31.3Very low171 Ų171140.2 Ų140.274%0.74372%0.715SS**  34.4137.1126.7-63.2177.4176.5166.80122.7
913N30.9Very low31.2Very low143 Ų143137.4 Ų137.477%0.76571%0.706SS**  trans108.8137133.4-70.3-21.7000120.7
914K34.8Very low30.8Very low187 Ų187138.6 Ų138.681%0.81371%0.708SS**  trans65.9127.1164.9-65.6-179.7177.9-170.80115.8
915K30.4Very low30.6Very low173 Ų173138.9 Ų138.975%0.75271%0.714SS**  cis79.9138.825.6-153.6-142.4169.7-141.10113.9
916D31.5Very low30.3Very low114 Ų114141 Ų14161%0.6172%0.72SS**  trans81.2138.3-177.8-46.4-33.8000111.8
917V28.9Very low30Very low120 Ų120142.8 Ų142.873%0.72773%0.729SS**  cis172.9169.8-14.3128.90000104.4
918L29.8Very low29.5Very low152 Ų152139.6 Ų139.680%0.79673%0.728SS**  trans77.5123.9-173-58.2123.1000113.6
919S25Very low29.3Very low95 Ų95139.5 Ų139.566%0.66473%0.728SS**  cis92.9121.927-58.20000114.2
920H25.8Very low29Very low170 Ų170140 Ų14079%0.78773%0.731SS**  trans54127.5174-48.7-71.4000115
921L27.5Very low28.8Very low144 Ų144141.3 Ų141.375%0.75474%0.742SS**  -161.9132.267.1-107.196.6000107.3
922I28.9Very low28.6Very low124 Ų124139.8 Ų139.864%0.63674%0.743SS**  81.2101.887.3-81.8178.8000112.6
923D26.9Very low28.3Very low120 Ų120139.5 Ų139.564%0.64275%0.748SS**  71.7140.2125.5-49.8-7.5000122.2
924N26.8Very low28Very low136 Ų136138.4 Ų138.473%0.72775%0.751SS**  trans54.8112.9146.6-51.8-13000119
925L31.2Very low27.6Very low164 Ų164137.2 Ų137.286%0.85975%0.753SS**  -151.4161.989.5-129.976.3000111.3
926E28.2Very low27.3Very low159 Ų159135.4 Ų135.474%0.74376%0.757SS**  trans-80.2-172.2178.8-61.3115.5121.200114.4
927D27.6Very low26.9Very low154 Ų154135.5 Ų135.582%0.82477%0.766SS**  trans84.1138.9161-73.9-19.4000121.4
928S25.4Very low26.7Very low99 Ų99138.2 Ų138.269%0.69278%0.776SS**  trans64.488.7157.2-57.50000118.5
929D26.2Very low26.6Very low130 Ų130136.5 Ų136.570%0.69577%0.772SS**  130.413297.8-89.9-36.2000118
930H25.9Very low26.9Very low164 Ų164137.9 Ų137.976%0.75978%0.778SS**  trans54.9105.6143.9-70.259.5000119.2
931V28.7Very low26.9Very low147 Ų147134.5 Ų134.589%0.89177%0.774SS**  -178.4131.9104.61480000111.3
932G28.4Very low27.1Very low70 Ų70135.9 Ų135.972%0.72278%0.776SS**SBendtrans114.74.3137.100000121.8
933I26.6Very low27.1Very low164 Ų164134.5 Ų134.584%0.84177%0.773SS**  trans-135.968.3-179.4-36.7177.4000112.9
934S24.4Very low27.3Very low120 Ų120131.1 Ų131.184%0.83977%0.766SS**  trans-97.2126.3179-59.90000112.5
935L26.5Very low27.7Very low162 Ų162129.2 Ų129.285%0.84876%0.76SS**  trans-76134174.1-61.686000110.8
936T23.1Very low27.7Very low136 Ų136131.5 Ų131.583%0.83476%0.759SS**  trans-178.499.5147.314.50000112
937S23Very low28.3Very low115 Ų115131 Ų13180%0.80476%0.759SS**SBendtrans178.488147.128.50000112.5T939S937-T939 PolarHBondContact O-N 3.41Å
938L25.8Very low29.1Very low178 Ų178130 Ų13093%0.93275%0.753SS**  trans24.485.2150.4-59.8172.7000117.5
939T26.9Very low30.2Very low116 Ų116133.4 Ų133.471%0.71276%0.764SS**  trans-70.7135.7154.843.40000109.7S937 S941S937-T939 PolarHBondContact O-N 3.41Å; T939-S941 VanDerWaalsContact C-N 3.32Å; T939-S941 PolarHBondContact O-N 3.46Å
940P30.6Very low31.5Very low124 Ų124130.2 Ų130.281%0.80575%0.746SS**  trans-73.984.817629.2-33.7000110.8H942P940-H942 PolarHBondContact O-N 3.08Å
941S25.6Very low32.5Very low98 Ų98128 Ų12869%0.68574%0.74SS**  trans-79.778.4-175.559.10000112.8T939T939-S941 VanDerWaalsContact C-N 3.32Å; T939-S941 PolarHBondContact O-N 3.46Å
942H32.3Very low33.8Very low174 Ų174127.7 Ų127.781%0.80673%0.734SS**  trans5879.8148.6-55.43.2000115.6P940 G944P940-H942 PolarHBondContact O-N 3.08Å; H942-G944 PolarHBondContact O-N 2.95Å
943T29.5Very low35.2Very low95 Ų95128.6 Ų128.658%0.58373%0.725SS**  trans-7157.9164.4-36.20000111.2T945 S966 E968T943-T945 PolarHBondContact O-N 3.23Å; T943-S966 WeakPolarHBondContact CG2-OG 2.97Å; T943-E968 PolarHBondContact OG1-OE1 3.37Å
944G31.1Very low36.7Very low48 Ų48124.2 Ų124.250%0.49570%0.703SS.*  trans-67.9125.7173.400000109.8H942 Y946H942-G944 PolarHBondContact O-N 2.95Å; G944-Y946 PolarHBondContact O-N 3.2Å
945T33.9Very low38.4Very low97 Ų97123.8 Ų123.860%0.59569%0.69SS**  trans-70.4104.6166.8-60.80000107.3T943 I947 I963T943-T945 PolarHBondContact O-N 3.23Å; T945-I947 VanDerWaalsContact C-N 3.31Å; T945-I947 PolarHBondContact O-N 3.36Å; T945-I963 HydrophobicContact CG2-CG2 4.27Å
946Y31.4Very low39.7Very low211 Ų211120.2 Ų120.283%0.82768%0.684SS**  trans-65.392.2174.3-70.8-84000109.6G944 L948G944-Y946 PolarHBondContact O-N 3.2Å; Y946-L948 PolarHBondContact O-N 2.75Å
947I41.7Very low41.4Very low148 Ų148120.5 Ų120.576%0.75968%0.676SS**  trans-69.2108.4157.3-57.7176.4000105T945 D949T945-I947 VanDerWaalsContact C-N 3.31Å; T945-I947 PolarHBondContact O-N 3.36Å; I947-D949 PolarHBondContact O-N 2.62Å
948L43.3Very low42.4Very low133 Ų133118 Ų11870%0.69667%0.669SS**  trans-64.3125.2165.2-70.4171.5000107Y946 I950Y946-L948 PolarHBondContact O-N 2.75Å; L948-I950 HydrophobicContact CB-CD1 4.18Å; L948-I950 HydrophobicContact CB-CG1 4.07Å; L948-I950 WeakPolarHBondContact O-CG1 3.41Å; L948-I950 PolarHBondContact O-N 2.96Å; L948-I950 VanDerWaalsContact O-N 3.11Å
949D48.8Very low43.7Very low172 Ų172113.7 Ų113.792%0.9265%0.65SS**  trans-70.6107.1173.8-145.46.1000106.9I947I947-D949 PolarHBondContact O-N 2.62Å
950I53.6Low44.8Very low62 Ų62115.3 Ų115.332%0.31865%0.653SS.*  trans-113.7119-171.4-74.7171.1000106.6L948 L954 I955L948-I950 HydrophobicContact CB-CD1 4.18Å; L948-I950 HydrophobicContact CB-CG1 4.07Å; L948-I950 WeakPolarHBondContact O-CG1 3.41Å; L948-I950 PolarHBondContact O-N 2.96Å; L948-I950 VanDerWaalsContact O-N 3.11Å; I950-L954 HydrophobicContact CG2-CB 3.56Å; I950-L954 HydrophobicContact CG2-CD1 3.94Å; I950-L954 HydrophobicContact CG2-CG 4.4Å; I950-I955 HydrophobicContact CG2-CG1 4.44Å
951D47.5Very low45.6Very low119 Ų119114 Ų11464%0.63665%0.645SS**  trans-48142.6-178.8-66-54.2000112.2T953 L954D951-T953 WeakPolarHBondContact CB-OG1 3.47Å; D951-T953 PolarHBondContact O-N 3.45Å; D951-L954 PolarHBondContact O-N 3.48Å
952D56.4Low46.5Very low140 Ų140115.3 Ų115.375%0.74965%0.648SS**Hα-helixtrans-49.5-28176.5-71.5-45.3000113L954 I955 A956D952-L954 VanDerWaalsContact C-N 3.31Å; D952-L954 PolarHBondContact O-N 3.14Å; D952-I955 PolarHBondContact O-N 3.23Å; D952-A956 WeakPolarHBondContact O-CB 3.38Å; D952-A956 PolarHBondContact O-N 2.79Å
953T57.7Low47Very low89 Ų89113 Ų11355%0.54664%0.64SS.*Hα-helixtrans-67.3-22.417852.60000114.7D951 Q957D951-T953 WeakPolarHBondContact CB-OG1 3.47Å; D951-T953 PolarHBondContact O-N 3.45Å; T953-Q957 WeakPolarHBondContact O-CG 3.28Å; T953-Q957 PolarHBondContact O-NE2 3.5Å
954L57.5Low47.4Very low72 Ų72115.2 Ų115.238%0.37765%0.648SS.*Hα-helixtrans-92.2-33.6176.2-74.4169.9000111.8I950 D951 D952 A956 Q957I950-L954 HydrophobicContact CG2-CB 3.56Å; I950-L954 HydrophobicContact CG2-CD1 3.94Å; I950-L954 HydrophobicContact CG2-CG 4.4Å; D951-L954 PolarHBondContact O-N 3.48Å; D952-L954 VanDerWaalsContact C-N 3.31Å; D952-L954 PolarHBondContact O-N 3.14Å; L954-A956 VanDerWaalsContact C-N 3.28Å; L954-A956 PolarHBondContact O-N 3.44Å; L954-Q957 PolarHBondContact O-N 3.21Å
955I59.4Low47.6Very low110 Ų110123.4 Ų123.456%0.56466%0.664SS**Hα-helixtrans-61-43168.5-58.8177.1000109.3I950 D952 Q957 G958I950-I955 HydrophobicContact CG2-CG1 4.44Å; D952-I955 PolarHBondContact O-N 3.23Å; I955-Q957 PolarHBondContact O-N 3.05Å; I955-Q957 VanDerWaalsContact O-N 3.08Å; I955-G958 PolarHBondContact O-N 3.47Å
956A55.5Low47.5Very low88 Ų88122.5 Ų122.573%0.72766%0.661SS**THydrogen-bonded Turntrans-63.9-8.5173.500000115.1D952 L954D952-A956 WeakPolarHBondContact O-CB 3.38Å; D952-A956 PolarHBondContact O-N 2.79Å; L954-A956 VanDerWaalsContact C-N 3.28Å; L954-A956 PolarHBondContact O-N 3.44Å
957Q58.5Low47.6Very low141 Ų141120.6 Ų120.666%0.65966%0.659SS**THydrogen-bonded Turntrans-1014.2174.5-72.5173.452.300113.3T953 L954 I955 V959T953-Q957 WeakPolarHBondContact O-CG 3.28Å; T953-Q957 PolarHBondContact O-NE2 3.5Å; L954-Q957 PolarHBondContact O-N 3.21Å; I955-Q957 PolarHBondContact O-N 3.05Å; I955-Q957 VanDerWaalsContact O-N 3.08Å; Q957-V959 HydrophobicContact CB-CG2 4.47Å
958G43.9Very low47.1Very low64 Ų64120.6 Ų120.666%0.6666%0.656SS**THydrogen-bonded Turntrans7720.1177.200000114.5I955 L960I955-G958 PolarHBondContact O-N 3.47Å; G958-L960 PolarHBondContact O-N 3.36Å
959V52.5Low46.6Very low87 Ų87119.3 Ų119.353%0.52765%0.654SS.*  trans-83.3108.7176.6-175.60000109.5Q957Q957-V959 HydrophobicContact CB-CG2 4.47Å
960L50.8Low45.7Very low149 Ų149119.4 Ų119.478%0.7865%0.653SS**  trans-70.3138.5179.3-70170.6000112G958 V962G958-L960 PolarHBondContact O-N 3.36Å; L960-V962 PolarHBondContact O-N 2.69Å
961P46Very low44.5Very low97 Ų97121.3 Ų121.363%0.6368%0.678SS**  trans-69.9125.9177.927.8-34000111.7I963P961-I963 PolarHBondContact O-N 3.31Å
962V45.9Very low43.5Very low126 Ų126121 Ų12176%0.76469%0.686SS**  trans-84105.8-177.5-179.40000110.7L960 I964L960-V962 PolarHBondContact O-N 2.69Å; V962-I964 HydrophobicContact CG1-CG1 4.14Å; V962-I964 PolarHBondContact O-N 2.91Å
963I42.5Very low42.1Very low124 Ų124119.5 Ų119.564%0.63669%0.686SS**  trans-79.798176.9-55.5176.1000110T945 P961 R965T945-I963 HydrophobicContact CG2-CG2 4.27Å; P961-I963 PolarHBondContact O-N 3.31Å; I963-R965 HydrophobicContact CG2-CG 4.46Å; I963-R965 PolarHBondContact O-N 3.27Å
964I37.2Very low40.7Very low143 Ų143122 Ų12273%0.73370%0.701SS**  trans-81108.8173.3-55.8178.8000109.3V962V962-I964 HydrophobicContact CG1-CG1 4.14Å; V962-I964 PolarHBondContact O-N 2.91Å
965R35.5Very low39.3Very low220 Ų220124.4 Ų124.483%0.8372%0.719SS**  trans-87.8119.4169.7-71.7-179.5174.4164.2-2.2110.3I963 H967I963-R965 HydrophobicContact CG2-CG 4.46Å; I963-R965 PolarHBondContact O-N 3.27Å; R965-H967 PolarHBondContact O-N 3.08Å
966S32.6Very low37.9Very low78 Ų78125.1 Ų125.155%0.54573%0.729SS.*  trans-70.3110.7169.149.20000110.4T943 E968T943-S966 WeakPolarHBondContact CG2-OG 2.97Å; S966-E968 PolarHBondContact O-N 3.28Å
967H33.1Very low36.8Very low170 Ų170128.9 Ų128.979%0.78774%0.735SS**  trans-86.795.4178.7-144.9-69.9000109.5R965 T969R965-H967 PolarHBondContact O-N 3.08Å; H967-T969 VanDerWaalsContact C-N 3.3Å; H967-T969 PolarHBondContact O-N 2.93Å
968E31.4Very low35.4Very low149 Ų149129.5 Ų129.570%0.69674%0.743SS**  trans-72.881.2-176.8-71.3-179.8-139.300111.7T943 S966T943-E968 PolarHBondContact OG1-OE1 3.37Å; S966-E968 PolarHBondContact O-N 3.28Å
969T31.6Very low34.9Very low105 Ų105132.3 Ų132.364%0.64475%0.752SS**  trans-153.1131168.5-46.80000107.8H967H967-T969 VanDerWaalsContact C-N 3.3Å; H967-T969 PolarHBondContact O-N 2.93Å
970L29.7Very low34Very low174 Ų174131.8 Ų131.891%0.91176%0.764SS**SBendtrans87.1168.5-161.8-53.3167.7000114
971A28.8Very low32.9Very low102 Ų102132.5 Ų132.584%0.84377%0.768SS**  trans69.650.2177.100000118.1
972S26.2Very low32.1Very low113 Ų113134.3 Ų134.379%0.7977%0.772SS**SBendtrans-81.3144.2134.9-175.60000108.7
973S27.3Very low31.4Very low108 Ų108134.8 Ų134.876%0.75577%0.769SS**  trans5284.5175.164.10000118
974V29.1Very low30.6Very low141 Ų141137.2 Ų137.286%0.85578%0.777SS**  -139.3128.3127.8179.70000108
975T27.6Very low30.1Very low124 Ų124136 Ų13676%0.76178%0.782SS**  trans-138149.416848.10000108.7
976T29.9Very low29.7Very low125 Ų125129.2 Ų129.277%0.76777%0.773SS**  trans58.7113.6-18059.80000116.6
977I33.8Very low29.3Very low167 Ų167133.9 Ų133.986%0.85679%0.788SS**  -170.2127.7114.3-91152.8000107.4
978D28.9Very low29.1Very low154 Ų154132 Ų13282%0.82478%0.784SS**  trans-77.6146170.3-69.4-77.9000111.6
979S33.4Very low28.9Very low123 Ų123130.4 Ų130.486%0.8679%0.785SS**  trans152.7157.6134.7540000113.4
980G32.2Very low28.6Very low75 Ų75134.4 Ų134.477%0.77380%0.796SS**  trans100.796.5153.300000117.6
981L29.2Very low28.4Very low165 Ų165129.8 Ų129.886%0.86479%0.79SS**  trans-69.5173.2146-60.2128.3000107.9
982N28.8Very low28.4Very low134 Ų134131.1 Ų131.172%0.71779%0.787SS**  cis-171.1-171.829-158.71.2000111.6
983I31.4Very low28.4Very low136 Ų136133.9 Ų133.970%0.69779%0.791SS**  trans85.995.4154.2-62.3150.4000117.8
984E25Very low28.5Very low175 Ų175134.6 Ų134.682%0.81879%0.791SS**  trans-6.9146.9133.5-54.1169.8107.800119.1
985S26.3Very low28.4Very low117 Ų117135.1 Ų135.182%0.81878%0.784SS**  149.7154.1105.3-162.80000115.5
986A27.2Very low28.3Very low79 Ų79136.3 Ų136.365%0.65379%0.786SS**  trans68.491.6151.200000122.7
987M25.5Very low28.2Very low175 Ų175138.1 Ų138.186%0.86279%0.789SS**  81.4150.1113.8-76.1-175.5165.400124.3
988N26.9Very low27.9Very low131 Ų131135 Ų13570%0.70178%0.778SS**  trans72.497.1151.9-71-0.5000121.8
989T27.1Very low28.1Very low116 Ų116133.4 Ų133.471%0.71278%0.776SS**  25.8100.1116.657.90000118.6
990H27.2Very low27.6Very low189 Ų189138.9 Ų138.988%0.87578%0.778SS**  -169.7152.598.9-107.5-81000110.3
991G24.7Very low27.4Very low76 Ų76138.2 Ų138.278%0.78477%0.771SS**  trans-76.4147.9-173.500000114.5
992V28.6Very low27.3Very low130 Ų130135 Ų13579%0.78876%0.763SS**  trans-135.3140.3170.3-175.50000109.4V994V992-V994 HydrophobicContact CG1-CG2 4.1Å
993I25.9Very low27.6Very low171 Ų171134.6 Ų134.688%0.87777%0.767SS**  trans-88.8116.3179.4-60.2159.5000109
994V28.9Very low27.4Very low124 Ų124134.7 Ų134.775%0.75277%0.767SS**  trans-153142.4172-174.10000109.1V992V992-V994 HydrophobicContact CG1-CG2 4.1Å
995E27.4Very low27.7Very low151 Ų151132.2 Ų132.271%0.70677%0.769SS**  cis-164.4167.5-34.5-168.9160-145.200107.1I997E995-I997 PolarHBondContact O-N 2.83Å
996N25.6Very low27.7Very low149 Ų149133.3 Ų133.380%0.79776%0.76SS**  trans-66.1103.9176.4-79.5-56.7000112.5T998N996-T998 PolarHBondContact O-N 3.1Å
997I29.2Very low27.7Very low163 Ų163136.4 Ų136.484%0.83676%0.76SS**  trans-94.279.7165.3-44.7-179.2000109.4E995 P999E995-I997 PolarHBondContact O-N 2.83Å; I997-P999 WeakPolarHBondContact O-CD 3.45Å
998T25.6Very low27.8Very low101 Ų101133.3 Ų133.362%0.6275%0.752SS**  trans-82.6111.4171.9-49.30000109.8N996 R1000N996-T998 PolarHBondContact O-N 3.1Å; T998-R1000 HydrophobicContact CG2-CB 4.04Å; T998-R1000 PolarHBondContact O-N 3.01Å
999P33.4Very low27.9Very low122 Ų122133 Ų13379%0.79275%0.749SS**  trans-73.772.5165.732.7-35.3000109.1I997 G1001I997-P999 WeakPolarHBondContact O-CD 3.45Å; P999-G1001 PolarHBondContact O-N 3.36Å
1000R24.3Very low28.4Very low238 Ų238138.4 Ų138.490%0.89876%0.757SS**  trans-75.165174.2-166.6179.9178.5-172.3-0.8109.1T998T998-R1000 HydrophobicContact CG2-CB 4.04Å; T998-R1000 PolarHBondContact O-N 3.01Å
1001G27.1Very low28.9Very low61 Ų61136.5 Ų136.563%0.62975%0.748SS**  trans-133.374.6-165.900000112.2P999 P1003P999-G1001 PolarHBondContact O-N 3.36Å; G1001-P1003 WeakPolarHBondContact O-CD 3.02Å
1002S27.9Very low29.2Very low98 Ų98139.2 Ų139.269%0.68574%0.743SS**  trans-64.1133.6155.9-52.80000108.8I1004S1002-I1004 WeakPolarHBondContact O-CD1 3.39Å; S1002-I1004 VanDerWaalsContact O-CG1 3.26Å; S1002-I1004 WeakPolarHBondContact O-CG1 3.49Å; S1002-I1004 PolarHBondContact O-N 3.04Å
1003P34.7Very low29.3Very low125 Ų125137.2 Ų137.281%0.81273%0.731SS**  trans-72.685.714330.1-27.4000105.9G1001G1001-P1003 WeakPolarHBondContact O-CD 3.02Å
1004I26.1Very low29.4Very low137 Ų137134.7 Ų134.770%0.70372%0.715SS**  46.49289-67.9159.9000109.6S1002 K1006S1002-I1004 WeakPolarHBondContact O-CD1 3.39Å; S1002-I1004 VanDerWaalsContact O-CG1 3.26Å; S1002-I1004 WeakPolarHBondContact O-CG1 3.49Å; S1002-I1004 PolarHBondContact O-N 3.04Å; I1004-K1006 PolarHBondContact O-N 3.3Å; I1004-K1006 VanDerWaalsContact O-N 3.12Å
1005S31.4Very low29.4Very low123 Ų123133.9 Ų133.986%0.8671%0.707SS**  trans-62.6105.6168.853.10000110.6
1006K26.3Very low29.7Very low141 Ų141132.3 Ų132.361%0.61370%0.704SS**  trans-136.7124.1159.6-88-167165.2-74.40106.8I1004I1004-K1006 PolarHBondContact O-N 3.3Å; I1004-K1006 VanDerWaalsContact O-N 3.12Å
1007E27.9Very low29.8Very low143 Ų143130.2 Ų130.267%0.66869%0.692SS**  63.5112.7103-63.8159.4-160.600111
1008T28.2Very low30.2Very low111 Ų111130.5 Ų130.568%0.68170%0.695SS**  cis-157.3162.910.5-24.90000112W1010T1008-W1010 PolarHBondContact O-N 2.93Å
1009L28.6Very low30.5Very low124 Ų124132.4 Ų132.465%0.64970%0.702SS**  trans-15.9113.8158.8-75.4133.3000115.8H1011L1009-H1011 HydrophobicContact CD2-CB 3.95Å
1010W37.6Very low30.4Very low230 Ų230133.6 Ų133.687%0.87170%0.697SS**  trans-114.752.3142.4-69.8109.9000110.2T1008 I1012T1008-W1010 PolarHBondContact O-N 2.93Å; W1010-I1012 HydrophobicContact CE3-CD1 4.17Å; W1010-I1012 HydrophobicContact CZ3-CD1 3.95Å; W1010-I1012 PolarHBondContact O-N 3.17Å
1011H38.3Very low30.7Very low149 Ų149125.8 Ų125.869%0.6968%0.679SS**  -54.8125.3126.9-94.2-110.6000105.9L1009L1009-H1011 HydrophobicContact CD2-CB 3.95Å
1012I30.8Very low30.9Very low132 Ų132131.5 Ų131.568%0.67768%0.681SS**  trans-165.4145.3134.9-101.5145.4000110.5W1010W1010-I1012 HydrophobicContact CE3-CD1 4.17Å; W1010-I1012 HydrophobicContact CZ3-CD1 3.95Å; W1010-I1012 PolarHBondContact O-N 3.17Å
1013V31.2Very low31.2Very low89 Ų89133.3 Ų133.354%0.53968%0.683SS.*  cis-167.3-157-35.583.60000106.7
1014E28Very low31.2Very low117 Ų117132.9 Ų132.955%0.54767%0.674SS.*  trans69.495.2161.5-87.5129.2-140.200115P1349E1014-P1349 HydrophobicContact CB-CG 3.8Å
1015N28.7Very low31.6Very low108 Ų108132.2 Ų132.258%0.57867%0.672SS**  72.8110.573.2-64.5-7.3000110.6
1016D32.9Very low31.6Very low118 Ų118133 Ų13363%0.63167%0.666SS**  -119.3131.4121.1-106.3-28.5000108.7N1350D1016-N1350 VanDerWaalsContact CG-ND2 3.33Å; D1016-N1350 PolarHBondContact OD1-ND2 3.43Å; D1016-N1350 PolarHBondContact OD2-ND2 3.38Å; D1016-N1350 PolarHBondContact OD2-OD1 3.49Å
1017N28.5Very low31.8Very low104 Ų104133.6 Ų133.656%0.55668%0.676SS**  trans-75.9162.2173.8-38.9-85.2000108.1
1018D37.7Very low32.1Very low169 Ų169132 Ų13290%0.90468%0.676SS**  -146.8122.4117.1-109.9-23.8000109.3
1019D31Very low32Very low141 Ų141134 Ų13475%0.75468%0.681SS**  trans-69.2140.6167.7-69.7-77.1000109.9
1020E32.2Very low32.3Very low147 Ų147134.4 Ų134.469%0.68769%0.688SS**  175.6108.3124-92.1-93.8149.100106.6R1022E1020-R1022 IonicContact OE1-NH1 2.62Å; E1020-R1022 PolarHBondContact OE1-NH1 3.17Å; E1020-R1022 VanDerWaalsContact OE1-NH1 3.09Å; E1020-R1022 IonicContact OE2-NH1 2.75Å; E1020-R1022 PolarHBondContact OE2-NH1 2.82Å
1021S28.7Very low31.8Very low74 Ų74129 Ų12952%0.51768%0.681SS.*  104.3167.363.591.30000110.3
1022R31.8Very low31.5Very low182 Ų182127.2 Ų127.269%0.68769%0.686SS**  trans42.495.4152.3-64.4172.9-175.4104.41.3117.5E1020E1020-R1022 IonicContact OE1-NH1 2.62Å; E1020-R1022 PolarHBondContact OE1-NH1 3.17Å; E1020-R1022 VanDerWaalsContact OE1-NH1 3.09Å; E1020-R1022 IonicContact OE2-NH1 2.75Å; E1020-R1022 PolarHBondContact OE2-NH1 2.82Å
1023D35.3Very low31.4Very low135 Ų135127.9 Ų127.972%0.72269%0.69SS**  158.9149.593.6-89.9-10.4000112.7
1024N34.2Very low31.5Very low117 Ų117132.8 Ų132.863%0.62671%0.707SS**  cis-165.2169.8-31.9-141.9-35.3000108.9
1025N34.1Very low31.6Very low123 Ų123132.7 Ų132.766%0.65872%0.72SS**  trans59.9109160.5-54.6-40000118.1
1026D31.4Very low31.8Very low138 Ų138131 Ų13174%0.73873%0.728SS**  38.7136.7103.5-61.8-23.2000119.4
1027L31.2Very low31.7Very low154 Ų154136.6 Ų136.681%0.80674%0.74SS**  -170.3132.588.3-90.8168.7000113.6
1028V33.9Very low31.8Very low111 Ų111137 Ų13767%0.67375%0.749SS**  trans76.8106.4141.61760000119V1030V1028-V1030 HydrophobicContact CG1-CG2 4.08Å
1029L25.9Very low31.4Very low151 Ų151140.1 Ų140.179%0.79175%0.749SS**  trans-55.7141.2148.7-66.663.3000110.7
1030V34.7Very low31.4Very low133 Ų133139.8 Ų139.881%0.80675%0.747SS**  trans-131.5108.6140.8-177.50000109.1V1028V1028-V1030 HydrophobicContact CG1-CG2 4.08Å
1031T27.4Very low31.3Very low118 Ų118138.4 Ų138.472%0.72475%0.749SS**  trans-85.4143.6165.347.70000109.7
1032S31.7Very low31.3Very low111 Ų111139 Ų13978%0.77675%0.753SS**  trans-153.7137.5153.256.80000110.8
1033N27.9Very low31.4Very low145 Ų145138.7 Ų138.778%0.77576%0.757SS**  trans-95.7148.5175.9-49.8-67.2000108.9
1034Q35Very low31.2Very low193 Ų193138.3 Ų138.390%0.90276%0.755SS**  trans-164.9130.6135.1-109.9147106.300116.1
1035S29.7Very low31.1Very low115 Ų115139.7 Ų139.780%0.80476%0.762SS**  trans-25.2137.1152.6-179.30000116.4
1036G33.4Very low30.9Very low72 Ų72139.5 Ų139.574%0.74277%0.769SS**  trans-137.9-12-175.400000119.5
1037R29.8Very low30.8Very low235 Ų235139.8 Ų139.889%0.88777%0.771SS**  trans60.7162178.6-80.6-173.7176.2-132.8-1.7117.4
1038P31.2Very low31Very low114 Ų114140 Ų14074%0.7477%0.773SS**  trans-98.3157-169.937.6-34.8000114
1039Y30.1Very low30.7Very low233 Ų233143.5 Ų143.591%0.91478%0.782SS**  trans-104.8121.4157.9-86-83.6000110.3
1040N29Very low30.8Very low135 Ų135143.4 Ų143.472%0.72278%0.781SS**  trans-98.6124.1177.9-179.620.8000109.1S1042N1040-S1042 PolarHBondContact OD1-OG 3.41Å
1041V32Very low30.7Very low117 Ų117142.2 Ų142.271%0.70978%0.779SS**  trans-132.492.1169.3-176.90000107.6F1043V1041-F1043 HydrophobicContact CG1-CD2 4.08Å; V1041-F1043 HydrophobicContact CG1-CE2 4.08Å
1042S27.6Very low30.7Very low87 Ų87138.9 Ų138.961%0.60877%0.767SS**  trans-75.9139.1168.6-54.90000110N1040N1040-S1042 PolarHBondContact OD1-OG 3.41Å
1043F33.2Very low30.5Very low175 Ų175141.4 Ų141.477%0.76877%0.767SS**  trans-136.4106.6151.6-87.6-76.2000109.3V1041V1041-F1043 HydrophobicContact CG1-CD2 4.08Å; V1041-F1043 HydrophobicContact CG1-CE2 4.08Å
1044D33Very low30.5Very low128 Ų128144.3 Ų144.368%0.68477%0.773SS**  trans56.870.6139.1-51.7-19.5000119.3C1046D1044-C1046 PolarHBondContact O-N 3.47Å
1045N30.6Very low30.1Very low146 Ų146139.2 Ų139.278%0.78176%0.755SS**  6.595.9121.3-173.685.1000116.4
1046C29.8Very low30Very low118 Ų118140.5 Ų140.580%0.79775%0.75SS**  trans-133.261.6168.1-81.90000111.7D1044 N1048D1044-C1046 PolarHBondContact O-N 3.47Å; C1046-N1048 PolarHBondContact O-N 3.31Å
1047N30.3Very low29.9Very low145 Ų145143 Ų14378%0.77574%0.742SS**  trans-71110.9158.6-73.36.9000108.1
1048N34.2Very low29.9Very low159 Ų159135.9 Ų135.985%0.8573%0.729SS**  trans-163157.2160.7-105.5-16000110.6C1046 L1050C1046-N1048 PolarHBondContact O-N 3.31Å; N1048-L1050 PolarHBondContact O-N 3.37Å
1049E28Very low29.9Very low184 Ų184139.3 Ų139.386%0.8674%0.74SS**  trans-69.5109.6-175-64.6166.5103.800112.7
1050L28.7Very low30.2Very low149 Ų149138.1 Ų138.178%0.7873%0.734SS**  trans-120.6115.4145.1-80.3152.6000104.8N1048 G1052N1048-L1050 PolarHBondContact O-N 3.37Å; L1050-G1052 PolarHBondContact O-N 3.17Å
1051S31.5Very low30.5Very low108 Ų108134.3 Ų134.376%0.75572%0.722SS**  42.71851.280.40000113.9Q1053S1051-Q1053 VanDerWaalsContact C-N 3.35Å; S1051-Q1053 PolarHBondContact O-N 3.38Å
1052G27.8Very low30.7Very low47 Ų47136.2 Ų136.249%0.48572%0.722SS.*  trans-71.784.8174.900000111.3L1050 F1054L1050-G1052 PolarHBondContact O-N 3.17Å; G1052-F1054 VanDerWaalsContact C-N 3.35Å; G1052-F1054 PolarHBondContact O-N 3.02Å
1053Q27.5Very low31Very low165 Ų165139.7 Ų139.777%0.77173%0.727SS**  trans-56.496.5162.6-86.5-177.3-36.500109.8S1051 T1055S1051-Q1053 VanDerWaalsContact C-N 3.35Å; S1051-Q1053 PolarHBondContact O-N 3.38Å; Q1053-T1055 PolarHBondContact O-N 3.1Å
1054F27.6Very low31.2Very low206 Ų206138.2 Ų138.290%0.90472%0.722SS**  trans-82.341.1160.3-87.8-78.3000111.5G1052 M1056G1052-F1054 VanDerWaalsContact C-N 3.35Å; G1052-F1054 PolarHBondContact O-N 3.02Å; F1054-M1056 PolarHBondContact O-N 3.33Å
1055T27.5Very low31.2Very low86 Ų86139.2 Ų139.253%0.52873%0.728SS.*  trans-63.6108.4145.444.30000107.6Q1053Q1053-T1055 PolarHBondContact O-N 3.1Å
1056M27.1Very low31.5Very low141 Ų141138.1 Ų138.170%0.69573%0.727SS**  trans-156.780.3156.2-105-70.8-7900108F1054 S1058F1054-M1056 PolarHBondContact O-N 3.33Å; M1056-S1058 VanDerWaalsContact C-N 3.29Å; M1056-S1058 WeakPolarHBondContact O-CB 3.41Å; M1056-S1058 PolarHBondContact O-N 2.85Å
1057E32.5Very low31.7Very low124 Ų124141.8 Ų141.858%0.57973%0.725SS**  21.468.7119-81.665.2-156.700114.2A1061E1057-A1061 HydrophobicContact CB-CB 4Å
1058S29.9Very low31.8Very low86 Ų86144 Ų14460%0.60173%0.728SS**SBendtrans-147.1-0.3178.1-77.40000115.6M1056M1056-S1058 VanDerWaalsContact C-N 3.29Å; M1056-S1058 WeakPolarHBondContact O-CB 3.41Å; M1056-S1058 PolarHBondContact O-N 2.85Å
1059L31.2Very low31.9Very low186 Ų186141.3 Ų141.397%0.97472%0.722SS**SBendtrans-133.814152.5-77.9-176.8000113.4
1060R35.4Very low32Very low208 Ų208140.2 Ų140.279%0.78572%0.721SS**SBendtrans-131.942.7168.1-160.5-178.5178.8167.31.7110.6
1061A35.3Very low32.2Very low56 Ų56138.9 Ų138.946%0.46372%0.721SS.*  trans-141.931-173.100000113.4E1057E1057-A1061 HydrophobicContact CB-CB 4Å
1062E35.7Very low32.1Very low156 Ų156137.5 Ų137.573%0.72971%0.712SS**SBendtrans-107.1121.3145.1-79.4-158.6148.500107.3
1063F34.3Very low32.4Very low160 Ų160141.6 Ų141.670%0.70273%0.729SS**SBendtrans73.346.9176.4-61.3-80.3000118.9A534A534-F1063 HydrophobicContact CB-CD1 4.38Å; A534-F1063 HydrophobicContact CB-CD2 3.86Å; A534-F1063 HydrophobicContact CB-CE1 3.93Å; A534-F1063 HydrophobicContact CB-CE2 3.36Å; A534-F1063 HydrophobicContact CB-CG 4.36Å; A534-F1063 HydrophobicContact CB-CZ 3.4Å; A534-F1063 VanDerWaalsContact CB-CZ 3.4Å
1064E37.9Very low32.6Very low144 Ų144139.5 Ų139.567%0.67372%0.723SS**SBendtrans-131.1136.2136.3-105.3149.4-176.100109
1065D33.2Very low32.8Very low149 Ų149138.8 Ų138.880%0.79772%0.723SS**  trans38.978.7173.5-69.69.3000121.2
1066T35.4Very low32.9Very low123 Ų123142.4 Ų142.476%0.75573%0.732SS**  trans-86.4126.7142.2-49.80000108.9
1067Y34.8Very low32.9Very low195 Ų195143.1 Ų143.177%0.76574%0.737SS**  trans67.5104.9-171.6-59.1-72.6000112.1
1068K33.2Very low32.7Very low191 Ų191141.1 Ų141.183%0.8375%0.751SS**  cis50.3136.239.4-88.2-173.3179.9-179.40113.3
1069S36.5Very low32.6Very low104 Ų104139.5 Ų139.573%0.72775%0.747SS**  trans62.792.9-170.5500000116.3
1070L29.7Very low32.4Very low160 Ų160134.6 Ų134.684%0.83873%0.734SS**  36.9138.3112.8-59.3173000118.1
1071P32.9Very low32.2Very low121 Ų121132 Ų13279%0.78674%0.735SS**  cis-127.9165.533.240.9-28.7000116.5
1072S28.1Very low32Very low80 Ų80133.9 Ų133.956%0.55975%0.745SS**  trans-66.1150.5170.5-34.60000112.6N1074S1072-N1074 PolarHBondContact O-N 2.97Å
1073P34.5Very low31.9Very low132 Ų132130.2 Ų130.286%0.85774%0.737SS**SBendtrans-74.574153.4-10.127.9000110
1074N32.8Very low31.8Very low121 Ų121128.7 Ų128.765%0.64774%0.736SS**  trans51.797.2161.6-53.8-16000116.6S1072 F1076S1072-N1074 PolarHBondContact O-N 2.97Å; N1074-F1076 VanDerWaalsContact C-N 3.35Å; N1074-F1076 VanDerWaalsContact CA-N 3.29Å; N1074-F1076 HydrophobicContact CB-CB 4.06Å
1075Q30.9Very low31.6Very low191 Ų191128.6 Ų128.689%0.89374%0.74SS**  -60.993.181.8-72.7-169.98.200113.7
1076F28.6Very low31.3Very low162 Ų162125.5 Ų125.571%0.71173%0.73SS**  trans-155.882.4161.9-114.5-71.4000110.5N1074 G1078N1074-F1076 VanDerWaalsContact C-N 3.35Å; N1074-F1076 VanDerWaalsContact CA-N 3.29Å; N1074-F1076 HydrophobicContact CB-CB 4.06Å; F1076-G1078 PolarHBondContact O-N 2.81Å; F1076-G1078 VanDerWaalsContact O-N 3.11Å
1077L28.3Very low31.2Very low156 Ų156126.6 Ų126.682%0.81773%0.728SS**  53.146.8128.7-148.669.6000118.4
1078G27.1Very low31.1Very low83 Ų83122.6 Ų122.686%0.85672%0.72SS**  trans-106.282.4137.100000108.1F1076F1076-G1078 PolarHBondContact O-N 2.81Å; F1076-G1078 VanDerWaalsContact O-N 3.11Å
1079G28.1Very low31Very low51 Ų51120.3 Ų120.353%0.52672%0.716SS.*  cis94.4123.614.700000110
1080A28.3Very low30.8Very low84 Ų84120.2 Ų120.269%0.69471%0.71SS**  trans65.8115.3-162.100000114.3
1081D30.3Very low31Very low152 Ų152120 Ų12081%0.81371%0.705SS**  51.5137110.3-41.8-26.1000118.6
1082S32.2Very low31.1Very low96 Ų96119 Ų11967%0.67170%0.701SS**  cis-166.8-161.1-6.739.30000108.2
1083S33Very low31.3Very low80 Ų80120.2 Ų120.256%0.55971%0.71SS**  12.4133.896.7103.30000115.5
1084D31.2Very low31.2Very low127 Ų127120 Ų12068%0.67971%0.706SS**  cis-143.1140.421.4-88.3-68.6000114.1S1086D1084-S1086 PolarHBondContact O-N 3.12Å
1085N33.4Very low31Very low142 Ų142122.3 Ų122.376%0.75972%0.717SS**  36.254.7105.7-133.63.4000118.4M1087N1085-M1087 WeakPolarHBondContact O-CB 3.48Å
1086S27.1Very low31Very low84 Ų84122.1 Ų122.159%0.58772%0.716SS**  trans-85.8111.8150.2148.10000107.9D1084 N1088D1084-S1086 PolarHBondContact O-N 3.12Å; S1086-N1088 WeakPolarHBondContact CA-O 3.28Å; S1086-N1088 WeakPolarHBondContact CB-O 3.42Å; S1086-N1088 PolarHBondContact OG-N 3.21Å; S1086-N1088 PolarHBondContact OG-O 2.9Å
1087M33.3Very low31Very low146 Ų146119.8 Ų119.872%0.71972%0.72SS**SBendcis48.245.25.5-131.6-62.1-71.600115.5N1085N1085-M1087 WeakPolarHBondContact O-CB 3.48Å
1088N32.9Very low31Very low112 Ų112121.7 Ų121.760%0.59973%0.725SS**SBendtrans69.8153.5-176.2-42-75.6000114.7S1086S1086-N1088 WeakPolarHBondContact CA-O 3.28Å; S1086-N1088 WeakPolarHBondContact CB-O 3.42Å; S1086-N1088 PolarHBondContact OG-N 3.21Å; S1086-N1088 PolarHBondContact OG-O 2.9Å
1089I31.7Very low31.1Very low143 Ų143122.8 Ų122.873%0.73372%0.719SS**  trans72.9127.2150.2-74.1158000115.2
1090V31.6Very low31.4Very low101 Ų101131.9 Ų131.961%0.61274%0.738SS**  cis-165.7-169.6-10.568.80000109.1S1092V1090-S1092 PolarHBondContact O-N 3.08Å
1091E35.6Very low31.7Very low157 Ų157137.6 Ų137.673%0.73475%0.747SS**  trans-9.1118.2147.5-65.2150.4-167.100115.2
1092S34.2Very low31.8Very low100 Ų100136.3 Ų136.370%0.69975%0.75SS**  90.5141.194.6-61.20000115.8V1090V1090-S1092 PolarHBondContact O-N 3.08Å
1093S33.3Very low32.1Very low105 Ų105140.7 Ų140.773%0.73476%0.76SS**  trans38.2116.1146.361.40000121.4
1094T31Very low32.2Very low127 Ų127145.4 Ų145.478%0.77978%0.775SS**  -171.4147.6119.319.60000108.1
1095L30Very low33.1Very low170 Ų170147.6 Ų147.689%0.8978%0.778SS**  cis69.662.716.6-75.1-178.9000117.5
1096Q29.8Very low33.2Very low187 Ų187147 Ų14787%0.87478%0.781SS**  trans-144.3146.2145-61.1-168.112.400107.7
1097S29Very low33.7Very low113 Ų113149.5 Ų149.579%0.7978%0.784SS**  cis-140.1154.1-7.667.40000108.1
1098E28.2Very low34Very low196 Ų196149.4 Ų149.492%0.91679%0.787SS**  -140.9126.879.5-176.6177.9-132.700110.8
1099S28.7Very low34.1Very low105 Ų105148.1 Ų148.173%0.73479%0.791SS**  trans-116.4118.5179.774.90000111.9
1100R35.3Very low34Very low243 Ų243150 Ų15092%0.91780%0.797SS**  trans-170.177.4158.1-108156.9-162.8-1333114.3
1101K33.7Very low33.9Very low204 Ų204150.1 Ų150.189%0.88780%0.8SS**SBend177.967.3128.6-95.1166-178.1179.40115.2
1102S32.6Very low33.5Very low125 Ų125148.3 Ų148.387%0.87480%0.799SS**  trans42.882.3135.1-161.10000120.3
1103Q37.9Very low33.2Very low187 Ų187152.6 Ų152.687%0.87481%0.808SS**  trans-142.7121.2149.9-62.6-170.35.600106.4
1104M36.4Very low33.3Very low180 Ų180150.8 Ų150.889%0.88781%0.806SS**  80.483.863.6-169.4163143.200115.2
1105K50.2Low33.4Very low172 Ų172152.7 Ų152.775%0.74880%0.803SS**  trans6384.7137.6-158.5169.8-173.4174.60118.6
1106T34.9Very low33.5Very low131 Ų131151.5 Ų151.580%0.80479%0.793SS**  trans-47.6140.5142.9-22.60000111
1107M38.3Very low33.8Very low136 Ų136147.5 Ų147.567%0.6779%0.786SS**  trans176.8158.5133.8-107.1-173.3-64.400113.6
1108N39Very low34.1Very low144 Ų144148.3 Ų148.377%0.7778%0.781SS**  trans79146.7150.6-68.8-10000121.2
1109A35.7Very low34.7Very low84 Ų84150 Ų15069%0.69478%0.779SS**  trans77137.5157.900000115.7
1110H27.7Very low34.9Very low184 Ų184150.3 Ų150.385%0.85278%0.777SS**  cis61.9145.142.8-71.2-68.9000113.2
1111P31.1Very low35Very low103 Ų103146.5 Ų146.567%0.66977%0.773SS**  cis-137.5-170.3-18.937.6-17.5000112.8
1112V26.4Very low34.9Very low119 Ų119141.7 Ų141.772%0.72176%0.763SS**  trans37.9141.5130.11680000120.6
1113Q28.8Very low34.7Very low190 Ų190141 Ų14189%0.88876%0.758SS**  trans83.9133.9178-67.7155.824.900114.9
1114G33.7Very low34.4Very low66 Ų66138.1 Ų138.168%0.6875%0.753SS**  cis138.1166.3-1200000114
1115K33.9Very low34Very low168 Ų168135.8 Ų135.873%0.7374%0.744SS**  trans69.5149.7174.5-57.3179.8154.6-770115.1
1116E33Very low32.9Very low144 Ų144133 Ų13367%0.67374%0.742SS**  cis-165163.8-21.5-113.5147.9-167.800107.7
1117S35.6Very low32.6Very low104 Ų104131 Ų13173%0.72773%0.733SS**  trans67140169-71.10000117.9
1118N34.4Very low32.2Very low130 Ų130131.7 Ų131.770%0.69574%0.739SS**  cis-155.4131.30.8-103.2-36000111.1
1119R41.4Very low31.8Very low231 Ų231132 Ų13287%0.87274%0.74SS**  trans61.8141.6155.3-60.8-179.7-179.4-170.7-1.8118.3
1120T33.5Very low31.5Very low111 Ų111133.7 Ų133.768%0.68174%0.741SS**  cis-165.6124.9-7.3-93.30000110.9
1121I36.5Very low31.6Very low163 Ų163132.6 Ų132.684%0.83674%0.741SS**  trans74.9149.7151.8-73.2174.9000118.7
1122P32.2Very low31.8Very low104 Ų104136.1 Ų136.168%0.67575%0.748SS**  trans-100.5174.2-144.740.5-34.9000114.9
1123S27.9Very low32.1Very low110 Ų110136.4 Ų136.477%0.76974%0.741SS**  cis75.716132-163.70000115.6
1124V31.9Very low32.3Very low127 Ų127131.1 Ų131.177%0.7772%0.718SS**  trans72.2108.5-172.6-167.30000114.2
1125N27.3Very low32.4Very low130 Ų130133.9 Ų133.970%0.69572%0.718SS**  cis89.9125.815.2-156.936.7000117.1
1126T27.8Very low32.2Very low115 Ų115136 Ų13671%0.70672%0.723SS**  trans61.5157.7159.436.70000118.7
1127S28.7Very low32.4Very low89 Ų89138 Ų13862%0.62273%0.729SS**  cis-166.4149.10.732.80000113.5
1128N28.7Very low32.4Very low150 Ų150136.8 Ų136.880%0.80272%0.718SS**  trans63.8176.5142.3-57.73000121.4
1129I32Very low32.4Very low151 Ų151135.5 Ų135.577%0.77471%0.706SS**  trans74.678.3175.9-50.1177.5000113.6
1130T29.9Very low32.1Very low119 Ų119127.2 Ų127.273%0.7368%0.682SS**  84125.473.859.60000116.4
1131L29.8Very low32.2Very low161 Ų161131.1 Ų131.184%0.84369%0.69SS**  trans59.8107.4153.6-60.3168.4000119.1
1132Q33.5Very low31.9Very low177 Ų177127.7 Ų127.783%0.82768%0.68SS**  -179.7146.999.7-93.9-179.924.700113.6
1133H32.7Very low32Very low124 Ų124129.7 Ų129.757%0.57468%0.683SS**  trans49.6115.5151.4-77.2-171.6000124.4
1134I34.6Very low32.1Very low79 Ų79131 Ų13141%0.40568%0.681SS.*  73.6119.6119.4-59.8163.2000120.4N104N104-I1134 WeakPolarHBondContact ND2-CD1 3.48Å; N104-I1134 WeakPolarHBondContact OD1-CD1 3.45Å
1135N34.7Very low31.9Very low124 Ų124129.6 Ų129.666%0.66368%0.677SS**  trans47.6123.9150.4-58.6-2.1000121.1
1136Y31Very low32.1Very low213 Ų213128.3 Ų128.384%0.83567%0.674SS**  trans-92.7138.8173.2-74.9-107000112.2V1138Y1136-V1138 HydrophobicContact CD1-CG2 4.38Å
1137F35.2Very low32.2Very low186 Ų186130.9 Ų130.982%0.81668%0.678SS**  trans-135.9142.8150.5-100.8-94.2000106
1138V37.5Very low32.3Very low79 Ų79132.4 Ų132.448%0.47968%0.683SS.*  trans-12869.2-161.8-170.20000111.1Q236 E237 Y1136Q236-V1138 PolarHBondContact OE1-O 3.22Å; Q236-V1138 VanDerWaalsContact OE1-O 3.13Å; E237-V1138 VanDerWaalsContact CD-N 3.31Å; E237-V1138 VanDerWaalsContact OE1-C 3.28Å; E237-V1138 PolarHBondContact OE1-N 3.46Å; E237-V1138 VanDerWaalsContact OE1-N 3.09Å; E237-V1138 VanDerWaalsContact OE2-C 3.25Å; E237-V1138 WeakPolarHBondContact OE2-CA 3.35Å; E237-V1138 PolarHBondContact OE2-N 3.02Å; Y1136-V1138 HydrophobicContact CD1-CG2 4.38Å
1139K33.4Very low32.3Very low102 Ų102129.5 Ų129.544%0.44367%0.674SS.*  trans-67.9144.7172-95.4-134.11081790112.2Q236 E237 T238 V239 K1141Q236-K1139 PolarHBondContact OE1-O 3.23Å; E237-K1139 HydrophobicContact CG-CG 4.16Å; E237-K1139 WeakPolarHBondContact O-CE 3.44Å; E237-K1139 WeakPolarHBondContact OE1-CG 3.31Å; E237-K1139 PolarHBondContact OE1-N 3.4Å; T238-K1139 WeakPolarHBondContact O-CE 3.3Å; T238-K1139 PolarHBondContact O-NZ 2.98Å; V239-K1139 HydrophobicContact CG2-CD 3.8Å; K1139-K1141 PolarHBondContact O-N 2.8Å
1140P35.6Very low32.3Very low58 Ų58129.4 Ų129.438%0.37767%0.674SS.*  trans-69.1130.5-178.925.8-27.6000112.2Q236Q236-P1140 HydrophobicContact CB-CB 3.79Å; Q236-P1140 HydrophobicContact CB-CG 3.87Å; Q236-P1140 HydrophobicContact CG-CB 4.48Å; Q236-P1140 WeakPolarHBondContact O-CD 3.41Å; Q236-P1140 WeakPolarHBondContact O-CG 3.44Å
1141K34.7Very low32.2Very low193 Ų193128.1 Ų128.184%0.83967%0.67SS**  trans-148142.5168-83-163.41781790110.4K1139K1139-K1141 PolarHBondContact O-N 2.8Å
1142S31.3Very low32.2Very low90 Ų90127.1 Ų127.163%0.62967%0.665SS**  cis-176.6-157.3-12.939.30000107.6
1143I33.1Very low32Very low147 Ų147126 Ų12675%0.75466%0.66SS**  trans85.1120157.2-48.9-168000113.3
1144N29.8Very low31.9Very low136 Ų136125.7 Ų125.773%0.72766%0.662SS**  cis-155.1171.18.3-140.21.6000116.2
1145C29.4Very low31.6Very low99 Ų99128.7 Ų128.767%0.66967%0.674SS**  trans69.2147.7152.4-68.90000119.1
1146T31.4Very low31.5Very low103 Ų103128 Ų12863%0.63267%0.67SS**  cis-166.3107-18.5-900000104.4
1147E29.2Very low31.6Very low169 Ų169123.3 Ų123.379%0.7966%0.659SS**  83.9161.497.2-153.4-176.9-162.300113.6
1148V30.2Very low31.5Very low120 Ų120120.6 Ų120.673%0.72765%0.653SS**  trans71.2122.7166.9-177.40000116
1149S29.6Very low31.3Very low89 Ų89123.6 Ų123.662%0.62267%0.665SS**  cis-175.5164.3-0.8-112.20000114.9
1150I32.2Very low31.3Very low150 Ų150124.8 Ų124.877%0.76968%0.681SS**  trans62.297.8141.3-64.1163.9000117.9
1151S27.8Very low31.4Very low92 Ų92130 Ų13064%0.64370%0.697SS**  80.8123.980-87.40000118
1152N29.6Very low31.4Very low140 Ų140127.2 Ų127.275%0.74969%0.687SS**  trans67.7156.4143.6-48.5-19.2000116.6
1153H28.6Very low31.6Very low154 Ų154129 Ų12971%0.71369%0.69SS**  cis-166.7175.617.5-148.5-8.7000110.8
1154L30.6Very low31.6Very low117 Ų117128.7 Ų128.761%0.61369%0.687SS**  trans65.2113.5152.8-59.6175.4000121.1
1155Q29.6Very low32Very low141 Ų141129.5 Ų129.566%0.65969%0.69SS**  100.2143.3110.3-83.8-174.1-91.600123.1
1156N32Very low32.2Very low109 Ų109130.1 Ų130.158%0.58369%0.686SS**  trans72.5146.4145.3-69.530.5000118
1157D32.9Very low32.4Very low115 Ų115132.5 Ų132.562%0.61570%0.695SS**  cis-158.5163-4.3-115.4-13.8000115.5
1158L32.7Very low32.5Very low129 Ų129130.8 Ų130.868%0.67570%0.696SS**  trans39.5117148.9-88.273.3000120.8
1159I34.1Very low32.6Very low143 Ų143135.6 Ų135.673%0.73370%0.703SS**  101.7118.969.8-88.9-173.9000113.9
1160T33.7Very low32.7Very low127 Ų127136.4 Ų136.478%0.77970%0.704SS**  trans168.7150.6140.433.20000108.9
1161K37.4Very low32.7Very low167 Ų167136.6 Ų136.673%0.72670%0.702SS**  cis-154.8165.2-13.5-130.6-175.3-177.1-147.10112.6
1162Q34.3Very low33.1Very low134 Ų134140.1 Ų140.163%0.62671%0.705SS**  trans4.5138145.4-71.6175.3-54.600119.8
1163N35.8Very low33.3Very low128 Ų128139 Ų13968%0.68470%0.7SS**  cis-138.9140.85.2-72.6-46.8000109
1164M33.8Very low33.5Very low140 Ų140139.1 Ų139.169%0.6970%0.7SS**  52.6134.673.7-61.3-155.476.200113.9N1166M1164-N1166 HydrophobicContact CE-CB 4.2Å
1165I37.6Very low33.6Very low153 Ų153140 Ų14079%0.78570%0.699SS**  cis-141.1126.837.7-69.2161.9000109
1166N33.9Very low33.6Very low112 Ų112142.8 Ų142.860%0.59971%0.705SS**  63.8104.267.8-98.729.3000117.8M1164M1164-N1166 HydrophobicContact CE-CB 4.2Å
1167N34.2Very low33.5Very low154 Ų154142.8 Ų142.882%0.82471%0.714SS**  179.9145.1111.7-91.4-15.8000113.5
1168T33.1Very low33.3Very low132 Ų132142.2 Ų142.281%0.8172%0.719SS**  trans-128.3137.2161.4-51.20000107.1
1169Y30.9Very low33.1Very low221 Ų221141.2 Ų141.287%0.86772%0.718SS**  trans-144.3151167-141.9-95.2000111.2
1170T32.7Very low33.1Very low106 Ų106142.5 Ų142.565%0.6572%0.72SS**  trans-97.5179.6-170.8500000112.6
1171H32.2Very low33.1Very low155 Ų155142.2 Ų142.272%0.71871%0.713SS**  trans98.7131146.2-118-53.8000118.3
1172K35.5Very low33.4Very low165 Ų165138.9 Ų138.972%0.71771%0.708SS**  trans76.9154.2157.3-55.1-167.2173.3-168.80117.6
1173D34.1Very low33.6Very low117 Ų117137.9 Ų137.963%0.62671%0.713SS**  cis-168.5143.7-26.1-95.2-25.3000105.9
1174E32.6Very low33.4Very low156 Ų156137.6 Ų137.673%0.72971%0.712SS**  trans61.8166161.6-64.4-170.1151.300116.3
1175K32.4Very low33.4Very low135 Ų135137.9 Ų137.959%0.58772%0.716SS**  cis-160.1170.3-10.3-119.3164.1-167.3150.50107.7
1176Y30.4Very low33Very low200 Ų200133.4 Ų133.478%0.78471%0.708SS**  trans32.3116.1156.3-63.8-63.3000120
1177S28.4Very low32.8Very low110 Ų110134.9 Ų134.977%0.76972%0.72SS**  79.515773.6-168.60000114.7
1178S29.1Very low32.5Very low102 Ų102132 Ų13271%0.71371%0.712SS**  trans72.8104-178.5-1500000114.3
1179V29.1Very low32.8Very low108 Ų108131.8 Ų131.866%0.65571%0.706SS**  68.695.969.8-179.50000113.6I1181V1179-I1181 HydrophobicContact CG1-CD1 3.75Å; V1179-I1181 HydrophobicContact CG1-CG1 4.21Å
1180H33.9Very low32.9Very low171 Ų171127.5 Ų127.579%0.79271%0.705SS**  -158.9128.5125.6-125.5-89.8000107.3
1181I34.3Very low32.9Very low121 Ų121126.2 Ų126.262%0.62170%0.697SS**  cis76.1125.437.5-59.5-175.5000111.5V1179V1179-I1181 HydrophobicContact CG1-CD1 3.75Å; V1179-I1181 HydrophobicContact CG1-CG1 4.21Å
1182P42.8Very low32.7Very low97 Ų97126.1 Ų126.163%0.6371%0.707SS**  -108.3-158.3-120.639.8-33.3000113.7
1183P39Very low32.9Very low112 Ų112123.7 Ų123.773%0.72771%0.706SS**  -131165.190.341.4-29.4000112.1
1184N30.8Very low32.5Very low122 Ų122123.7 Ų123.765%0.65272%0.715SS**  56.7138.352.1-82.466.3000111.5
1185D34.4Very low32.2Very low147 Ų147124.5 Ų124.579%0.78672%0.724SS**  cis-122.8179.3-6.4-61.3-74.3000107.2
1186G28.9Very low32Very low59 Ų59128.2 Ų128.261%0.60874%0.74SS**  cis152138.72800000105.3
1187V29.7Very low32.1Very low142 Ų142126.2 Ų126.286%0.86174%0.742SS**  58.311673177.10000110.8
1188S28Very low33.1Very low93 Ų93125.8 Ų125.865%0.6574%0.736SS**  cis-169.6-174.6-1.5520000111.9
1189L39.2Very low33.3Very low129 Ų129127.9 Ų127.968%0.67574%0.739SS**  trans-14151.1154.8-73.871000117.6T1191L1189-T1191 WeakPolarHBondContact CB-OG1 3.23Å
1190P34.2Very low33.5Very low130 Ų130127.9 Ų127.984%0.84475%0.745SS**  -105.8135.593.9-16.532.5000112.6
1191T31.3Very low33.5Very low80 Ų80124.8 Ų124.849%0.49174%0.742SS.*  cis87.5109.932.4-58.90000113.8L1189 V1193L1189-T1191 WeakPolarHBondContact CB-OG1 3.23Å; T1191-V1193 VanDerWaalsContact CG2-O 3.27Å; T1191-V1193 WeakPolarHBondContact CG2-O 3.32Å
1192T29.5Very low33.5Very low152 Ų152124.4 Ų124.493%0.93375%0.75SS**SBendtrans-124.762.7152-17.30000109.7
1193V38.8Very low33.1Very low115 Ų115124 Ų12470%0.69775%0.75SS**  trans-137.3145.5168.1-174.50000107.6T1191T1191-V1193 VanDerWaalsContact CG2-O 3.27Å; T1191-V1193 WeakPolarHBondContact CG2-O 3.32Å
1194S25.8Very low32.9Very low116 Ų116128 Ų12881%0.81176%0.756SS**  trans92.1155173.4-44.30000117.5
1195L25.6Very low32.9Very low174 Ų174127.3 Ų127.391%0.91176%0.76SS**  trans-91.3162178-62146.5000110.7
1196K28.8Very low32.9Very low212 Ų212125.1 Ų125.192%0.92276%0.756SS**  trans101.2163.2160.2-132156.5-174.6170.40118.2
1197L33.3Very low33.1Very low158 Ų158127.6 Ų127.683%0.82776%0.764SS**  trans-111.7178.1-150.8-66.9153.5000113
1198P48.6Very low33.2Very low101 Ų101125.5 Ų125.566%0.65676%0.756SS**  cis-141.3-170.1-33.537.1-15.6000116.3
1199D32.6Very low33.6Very low146 Ų146128.9 Ų128.978%0.78177%0.767SS**  trans88.5115147.3-65.9-24.6000127.5
1200S33.9Very low33.4Very low109 Ų109128 Ų12876%0.76277%0.772SS**  102.5101.5128.572.60000127
1201S34.6Very low33.9Very low106 Ų106127 Ų12774%0.74177%0.765SS**  92.6116.4125.174.20000127.4
1202S34.7Very low34.1Very low113 Ų113127.6 Ų127.679%0.7977%0.772SS**  trans71.8154.9138.775.50000123.3
1203S33.2Very low34.3Very low88 Ų88126.8 Ų126.862%0.61577%0.767SS**  cis-173.6156.2-28.665.30000114.1
1204K34.3Very low34Very low196 Ų196126.4 Ų126.485%0.85277%0.77SS**  trans70.2159159.7-64162-175.1170.40117.5
1205S32.4Very low34.2Very low108 Ų108126.2 Ų126.276%0.75577%0.768SS**  cis179160.4-14.350.90000108.7
1206S33.2Very low34.5Very low100 Ų100123.6 Ų123.670%0.69977%0.765SS**  cis-177.6-178.3-11.751.60000110.2
1207S33.1Very low34.4Very low111 Ų111119.6 Ų119.678%0.77676%0.762SS**  trans65.9146.8164.142.70000119.7
1208S32.8Very low34.2Very low98 Ų98117.3 Ų117.369%0.68576%0.76SS**  cis-170152-11.149.90000114
1209N35.5Very low33.2Very low164 Ų164119.4 Ų119.488%0.87777%0.765SS**  trans80.8141.9154.1-61.8-2.9000121.7
1210S36.2Very low33.1Very low111 Ų111121.3 Ų121.378%0.77677%0.769SS**  trans-109.1-167.7-178.4580000109.6
1211P44.5Very low32.9Very low108 Ų108123 Ų12370%0.70177%0.768SS**  cis-144.5-156.312.244.8-22.8000116.7
1212S33.9Very low32.8Very low93 Ų93125.2 Ų125.265%0.6577%0.771SS**  trans72.4103.7164.332.30000118.2
1213T34Very low32.6Very low135 Ų135126.7 Ų126.783%0.82876%0.763SS**  58.5133.478.6630000114.7
1214S32.2Very low32.4Very low108 Ų108130.8 Ų130.876%0.75577%0.766SS**  cis-154.6153.37.339.70000113.9
1215S30.6Very low32.1Very low111 Ų111127.8 Ų127.878%0.77676%0.759SS**  trans-31.7131.916949.10000118.1
1216S31.3Very low31.9Very low120 Ų120132.1 Ų132.184%0.83976%0.759SS**  trans-128.1140.5136.7-178.60000107.8
1217C27.4Very low31.8Very low128 Ų128133.7 Ų133.787%0.86576%0.756SS**  trans-90.7118.6-169.5-650000111.2
1218S28.5Very low31.6Very low110 Ų110134 Ų13477%0.76975%0.752SS**  trans-136.1155.7170.1-169.50000110.8
1219N28Very low31.4Very low144 Ų144134.8 Ų134.877%0.7775%0.753SS**  trans-44135.6-173.8-56.2-79.5000114.1
1220H31.2Very low31.1Very low187 Ų187134.6 Ų134.687%0.86675%0.752SS**  trans-151.7119143-119.3-69.5000115
1221I29.9Very low30.8Very low144 Ų144132.8 Ų132.874%0.73875%0.751SS**  trans-64.2129.1159.4-64.7158000108.9
1222L32.3Very low30.1Very low153 Ų153135.5 Ų135.580%0.80176%0.759SS**  trans-166.1124.6143.6-90.5-177.7000107.5
1223K30.3Very low29.8Very low144 Ų144137.2 Ų137.263%0.62676%0.76SS**  cis110.5137.714.9-171.5-174.1-177.3174.80111.8
1224Y28.3Very low29.8Very low174 Ų174137.8 Ų137.868%0.68276%0.758SS**  trans78.7139.9-174.1-61.4-86.1000116
1225N28.5Very low29.9Very low132 Ų132139.2 Ų139.271%0.70676%0.757SS**  cis134.8160.8-11.2-87-28.4000109.5
1226R28.4Very low29.9Very low199 Ų199140.6 Ų140.675%0.75176%0.755SS**  trans76.6140.9155.1-164.4-177.2-67.6-92.93.9115.1
1227E31Very low30.4Very low134 Ų134143.2 Ų143.263%0.62676%0.755SS**  cis-140.8148.6-5.1-119133.4-153.700105.3
1228V29.5Very low30.8Very low116 Ų116144.2 Ų144.270%0.70375%0.751SS**  cis80.4128.946176.50000114.2
1229T28.6Very low31Very low116 Ų116146.4 Ų146.471%0.71275%0.753SS**  trans63.5152.7171.547.50000117.8
1230D28.1Very low31.4Very low160 Ų160147 Ų14786%0.85675%0.751SS**  cis-157.1164.9-5.6-119.8-29.3000110.3
1231G30.5Very low31.3Very low72 Ų72145 Ų14574%0.74274%0.742SS**  trans16189168.900000118.6
1232L28.6Very low31.3Very low166 Ų166145.4 Ų145.487%0.86974%0.738SS**  trans-33.4147.4163-58.9163.4000114.7
1233D29.2Very low31.1Very low128 Ų128144 Ų14468%0.68473%0.731SS**  -164.2155.458.3-121.7-13.5000115.1
1234L32.7Very low31Very low148 Ų148143.9 Ų143.978%0.77574%0.737SS**  trans35121.9146.2-56.7164.6000119.1
1235N34.6Very low30.9Very low137 Ų137142.8 Ų142.873%0.73374%0.74SS**  175.7140.558.6-170.47.4000111.4
1236N30.5Very low30.8Very low140 Ų140143.7 Ų143.775%0.74974%0.74SS**  trans-1.8130.3165.1-58.4-57.8000119.2
1237Q41.6Very low30.9Very low176 Ų176141.7 Ų141.782%0.82274%0.744SS**  -158.6148.169.9-89.5-178.6-5.600115.6
1238N36.6Very low30.8Very low148 Ų148141.7 Ų141.779%0.79175%0.748SS**  trans63.672.7154.5-66.535.9000120.1
1239I32.2Very low30.8Very low156 Ų156142.7 Ų142.780%0.875%0.749SS**  -74.5146.2122.2-63.4166.3000107.5
1240E37.1Very low30.9Very low158 Ų158142.8 Ų142.874%0.73875%0.745SS**  trans161.4131.7148.7-88.6158.8-139.400108.2F1242E1240-F1242 HydrophobicContact CG-CE2 4.25Å
1241H27.9Very low31Very low145 Ų145142.9 Ų142.967%0.67174%0.738SS**  cis8216440.1-159-97.1000113.4
1242F30.5Very low31.1Very low151 Ų151145 Ų14566%0.66273%0.732SS**  trans70.6115.9-168.7-52.4-79.9000114.4E1240E1240-F1242 HydrophobicContact CG-CE2 4.25Å
1243N27.7Very low31.5Very low123 Ų123144.1 Ų144.166%0.65873%0.728SS**  cis62.6120.77.7-153.62.6000115.4
1244L28Very low31.6Very low142 Ų142144 Ų14474%0.74373%0.727SS**  trans62152.2-170.2-9260.4000113.6
1245M26.8Very low31.7Very low152 Ų152143.9 Ų143.975%0.74973%0.728SS**  cis-145.7168.311.2-124.4-53.7-136.900111.2
1246H27.2Very low31.4Very low151 Ų151143.5 Ų143.570%0.69972%0.723SS**  trans-50.6142.7161.7-74.9-107.5000112.6
1247N29.1Very low31.6Very low156 Ų156144 Ų14483%0.83473%0.726SS**  -153.5151.2107.2-119.1-54.5000115.8
1248L29.5Very low30.9Very low135 Ų135143.1 Ų143.171%0.70772%0.722SS**  trans-84.2163.2173.7-70.9153.5000110.3
1249N29.7Very low30.7Very low137 Ų137143.8 Ų143.873%0.73372%0.72SS**  trans102.8144.2159.8-64.6-68.2000117.1
1250N30.1Very low30.6Very low117 Ų117143.6 Ų143.663%0.62672%0.715SS**  cis-172.4161.9-24.6-151.1-42.8000107
1251K31.7Very low30.2Very low162 Ų162143 Ų14370%0.70472%0.717SS**  trans58.7113160.8-80155.8-175.7176.70119.7
1252N31.9Very low30.1Very low116 Ų116140.1 Ų140.162%0.6272%0.718SS**  44.7124.1111.8-48.610.3000118.8
1253N36.8Very low29.9Very low148 Ų148142.6 Ų142.679%0.79172%0.724SS**  -167.3121.891.9-79.5-35.1000108
1254N31.5Very low29.9Very low125 Ų125143.1 Ų143.167%0.66873%0.727SS**  63.986.366.9-68.619.8000113.8
1255N34Very low29.9Very low146 Ų146141.4 Ų141.478%0.78173%0.727SS**  -164.4125.5122.1-92.3-19.6000107.7
1256M29.2Very low29.9Very low129 Ų129143.9 Ų143.964%0.63573%0.729SS**  72.198.552.2-62.7-61.6-68.100113.3E1258M1256-E1258 HydrophobicContact CE-CG 4.38Å
1257N33.8Very low30.2Very low152 Ų152143.3 Ų143.381%0.81374%0.736SS**  trans-179.5100.4143.9-88.7-11.2000103.5
1258E27.3Very low30.3Very low157 Ų157138.5 Ų138.573%0.73472%0.724SS**  40.689.865-65.8-158.6145.100112.4M1256M1256-E1258 HydrophobicContact CE-CG 4.38Å
1259H33.6Very low30.3Very low162 Ų162143.2 Ų143.275%0.7573%0.732SS**  trans-166.3117.9136.9-103-66.5000107.3
1260H28.3Very low30.4Very low151 Ų151146.2 Ų146.270%0.69973%0.733SS**  71.3129.1105.6-91.3-121.9000116.8
1261L29.4Very low30.5Very low147 Ų147150.1 Ų150.177%0.7774%0.741SS**  trans57108139.3-59.5172.2000119.5
1262A26.9Very low30.4Very low84 Ų84146.6 Ų146.669%0.69474%0.736SS**  71.4138.3119.100000121.8
1263Y25.8Very low30.4Very low203 Ų203147.1 Ų147.180%0.79674%0.739SS**  trans63.1115.1139.5-92-113.6000121.2
1264N27.1Very low30.1Very low133 Ų133146.6 Ų146.671%0.71174%0.737SS**  42.5107.9122.6-600.5000119.2
1265S27.4Very low30.1Very low107 Ų107149.6 Ų149.675%0.74874%0.74SS**  trans-166.3142.1156.3-78.20000108.2
1266Y27.6Very low30Very low204 Ų204151.9 Ų151.980%0.875%0.746SS**  cis-163.5131.6-16.6-116.2-69.8000103.2
1267T33.1Very low30.2Very low138 Ų138153.3 Ų153.385%0.84775%0.75SS**  177.1146.977.9460000108.1
1268G31.1Very low30.1Very low56 Ų56150.8 Ų150.858%0.57775%0.745SS**  cis165.4179-9.600000112.2
1269R29.9Very low30.3Very low234 Ų234151.4 Ų151.488%0.88375%0.745SS**  trans73.1125.4-180-49.4-175.6-142.4-107.99.6112.6
1270R32Very low30Very low200 Ų200152.1 Ų152.176%0.75575%0.746SS**  cis-159.8143.28.7-108.7171.4-155.6-165.58.5109.8
1271Y32.6Very low30.1Very low199 Ų199152.8 Ų152.878%0.7875%0.754SS**  trans49.1118.4163.3-54.1-68.5000117.1
1272S28.6Very low30.1Very low87 Ų87149.8 Ų149.861%0.60875%0.745SS**  64.8139.45897.90000112.7
1273D33.2Very low30.3Very low128 Ų128153.1 Ų153.168%0.68475%0.746SS**  cis-140.1144.816.2-92.8-69.8000115.4
1274N29.3Very low30.6Very low137 Ų137149.2 Ų149.273%0.73374%0.739SS**  trans18.7156.3132.2-73.4-61.5000123.9
1275Y32.7Very low30.8Very low188 Ų188149 Ų14974%0.73774%0.738SS**  trans78.3103.1154.9-96.8-127.7000118.5H1277Y1275-H1277 HydrophobicContact CD1-CB 4.2Å; Y1275-H1277 AromaticContact CD1-CD2 3.63Å; Y1275-H1277 AromaticContact CE1-CD2 3.64Å; Y1275-H1277 PolarHBondContact O-N 2.91Å
1276E31Very low31.2Very low194 Ų194148.8 Ų148.891%0.90774%0.736SS**  trans-63.3109.5139.2-77.6-154.6144.600108.8
1277H32.6Very low31.5Very low158 Ų158145.6 Ų145.673%0.73173%0.733SS**  trans-141.1102.1153.2-118.6-86.6000109.5Y1275Y1275-H1277 HydrophobicContact CD1-CB 4.2Å; Y1275-H1277 AromaticContact CD1-CD2 3.63Å; Y1275-H1277 AromaticContact CE1-CD2 3.64Å; Y1275-H1277 PolarHBondContact O-N 2.91Å
1278S32.1Very low31.6Very low100 Ų100145.8 Ų145.870%0.69973%0.728SS**  trans-72.6146.417281.70000110.8
1279K31.6Very low31.5Very low170 Ų170150 Ų15074%0.73974%0.736SS**  trans78.9111.4157.4-75.9173.9176.1170.30120.8
1280F28.7Very low31.8Very low176 Ų176144.2 Ų144.277%0.77273%0.729SS**  trans97.8137.3134.8-70.4-55.8000120.5
1281L29Very low31.6Very low166 Ų166138.7 Ų138.787%0.86972%0.721SS**  trans64.9140.9179.8-58.7113.8000116.4
1282S28.9Very low31.5Very low83 Ų83135.4 Ų135.458%0.5872%0.722SS**  cis-162.1156.6-29.777.30000110.3
1283H32Very low31.7Very low154 Ų154137.1 Ų137.171%0.71373%0.729SS**  trans62.9112.9158.5-63.1104.8000120.6
1284N31.4Very low31.8Very low121 Ų121134 Ų13465%0.64773%0.727SS**  80109.4120.7-64.36.7000121.6
1285N32.6Very low32Very low130 Ų130134.9 Ų134.970%0.69573%0.732SS**  84.9134.6122.6-60.4-7.2000120.5
1286S34.4Very low32.4Very low101 Ų101130.4 Ų130.471%0.70673%0.725SS**  trans71143.4138.863.30000118.6
1287N34Very low32.4Very low138 Ų138127.2 Ų127.274%0.73871%0.714SS**  cis-169.2161.5-8.5-111-9.5000109.6
1288L36.1Very low32.4Very low141 Ų141128.3 Ų128.374%0.73871%0.713SS**  trans65.3139.6150.7-94.472.7000117.9
1289I28.2Very low32.3Very low144 Ų144129.9 Ų129.974%0.73871%0.714SS**  cis67.3137.415.8-51.2178.2000114
1290P36.4Very low32.4Very low114 Ų114127 Ų12774%0.7471%0.71SS**  cis-101.8-113.8-2.115.310.1000110.9
1291S28.7Very low32.3Very low84 Ų84123 Ų12359%0.58770%0.704SS**  cis-164.9124.6-550.90000114.3
1292T30.3Very low32.4Very low129 Ų129123.5 Ų123.579%0.79170%0.702SS**  trans61.4166.8138.965.70000118.4
1293T33.8Very low32.6Very low123 Ų123124.2 Ų124.276%0.75570%0.703SS**  cis-155.4133.518.2-330000113.7
1294G33.7Very low32.5Very low63 Ų63124.1 Ų124.165%0.64971%0.706SS**  trans70.3169.9142.200000120
1295N33.6Very low32.5Very low156 Ų156121.4 Ų121.483%0.83471%0.706SS**  cis-156.9171.9-10.4-120.914.7000110.3
1296P41Very low32.5Very low93 Ų93121.5 Ų121.560%0.60471%0.707SS**  -133.5-150.7-125.334.2-9.9000114.1
1297L30.7Very low32.2Very low128 Ų128125 Ų12567%0.6771%0.712SS**  trans87.1154.8166.8-47.2158.9000114.3
1298Y32.5Very low32.1Very low181 Ų181123.4 Ų123.471%0.7171%0.711SS**  cis-148.214114.3-113.5-57.5000112.3
1299N31.1Very low31.6Very low133 Ų133125 Ų12571%0.71171%0.714SS**  trans47.4161.1140.4-7615.2000122
1300V32.5Very low31.7Very low108 Ų108125.4 Ų125.466%0.65572%0.716SS**  cis-150.3137.22.2107.30000106.1
1301S26.8Very low31.4Very low94 Ų94125.9 Ų125.966%0.65772%0.717SS**  55.4148.590.6-31.30000113.6
1302E32Very low31.5Very low175 Ų175129 Ų12982%0.81873%0.725SS**  cis-153.8171.918.9-82.9-158.810300107.6
1303T32.9Very low31.2Very low98 Ų98127.3 Ų127.360%0.60172%0.719SS**  cis-166.4168.60.216.10000110.5
1304I31Very low31Very low153 Ų153130.3 Ų130.379%0.78572%0.721SS**  trans38.8130140.9-56.8156.9000119.5
1305G31.1Very low30.6Very low63 Ų63138 Ų13865%0.64973%0.731SS**  cis150.5-172.1-0.200000113.3
1306N32.1Very low30.3Very low132 Ų132137 Ų13771%0.70672%0.721SS**  trans71.8111.7166.2-58.3-13000116.6
1307H28.7Very low29.6Very low174 Ų174138 Ų13881%0.80672%0.721SS**  73.9131.185.7-74.933.4000113.5
1308C30.2Very low29.4Very low106 Ų106138.8 Ų138.872%0.71673%0.726SS**  cis-133.9153.83.5-690000109.4
1309H25.9Very low29.2Very low175 Ų175134.4 Ų134.481%0.8172%0.718SS**  47.786.668.3-95.6-60.3000116.1
1310I31.1Very low29.1Very low151 Ų151133.9 Ų133.977%0.77472%0.72SS**  trans-135.6131.1139.6-63.3-172.7000108.2I1312I1310-I1312 HydrophobicContact CG2-CD1 4.11Å; I1310-I1312 HydrophobicContact CG2-CG1 3.96Å
1311T30.8Very low28.9Very low124 Ų124135.1 Ų135.176%0.76172%0.722SS**  trans-134.5100.2174-540000109.1
1312I29.8Very low29Very low149 Ų149135.6 Ų135.676%0.76472%0.721SS**  trans-140.8108.5175.1-49.8179.5000104.9I1310I1310-I1312 HydrophobicContact CG2-CD1 4.11Å; I1310-I1312 HydrophobicContact CG2-CG1 3.96Å
1313S23.8Very low28.9Very low95 Ų95132.6 Ų132.666%0.66471%0.71SS**  cis84.399.142.2-164.90000113.9
1314K30.7Very low28.7Very low185 Ų185133.9 Ų133.980%0.80471%0.713SS**  trans41.6134.4150.9-68-175174.3-179.10119.9
1315R24.6Very low28.6Very low226 Ų226133.4 Ų133.485%0.85371%0.707SS**  trans69.6169.7177.1-38176-179.7160-3.2110.7
1316Q27.3Very low28.4Very low133 Ų133134.3 Ų134.362%0.62170%0.704SS**  cis-152.8134.16.6-169.2142.7-18.600112
1317D26.6Very low28.3Very low115 Ų115135 Ų13562%0.61571%0.706SS**  trans49.8-178.8158.2-49.1-19.8000118
1318N26.9Very low28.4Very low145 Ų145132.6 Ų132.678%0.77570%0.699SS**  trans50.1143.6140.6-66-7000121.2
1319T28.6Very low28.5Very low88 Ų88133.5 Ų133.554%0.5470%0.697SS.*  cis-172.5119.6-0.9-100.90000107.4
1320T28.1Very low28.8Very low123 Ų123131.9 Ų131.976%0.75569%0.694SS**  58.9-162.5129-38.40000116.6
1321I28.9Very low28.7Very low133 Ų133128.5 Ų128.568%0.68268%0.684SS**  trans66.173.3170.3-51179.4000112.6
1322T29.2Very low28.8Very low104 Ų104129.7 Ų129.764%0.63869%0.686SS**  70169.375.377.80000112.6
1323N29.5Very low28.8Very low112 Ų112127.5 Ų127.560%0.59968%0.682SS**  cis-149168.821.5-121.4-15.9000109.5
1324L28.3Very low29.2Very low125 Ų125128.5 Ų128.565%0.65469%0.685SS**  34.2145.4102.1-49.2174.1000115.1
1325Q29Very low29.2Very low143 Ų143128.5 Ų128.567%0.66869%0.685SS**  cis-152.113133.3-114103.70.500107.9
1326S27.5Very low29.4Very low83 Ų83122.7 Ų122.758%0.5867%0.67SS**  77160.275.283.60000115.3
1327I29.8Very low29.9Very low145 Ų145123.1 Ų123.174%0.74468%0.681SS**  trans79.9130.2173.3-52147.3000111.4
1328N31Very low30Very low125 Ų125121.6 Ų121.667%0.66868%0.68SS**  cis-149.7163.318.9-134.1-7.8000113.6
1329N31Very low30Very low124 Ų124120.4 Ų120.466%0.66368%0.678SS**  trans8.1146.3142.6-53.5-12.7000118.9
1330N31.6Very low30.3Very low142 Ų142121.9 Ų121.976%0.75969%0.687SS**  cis-173.9176.514.3-113.97.5000107.7
1331S30.6Very low30.9Very low79 Ų79120.8 Ų120.855%0.55268%0.682SS**  cis-175.4161.3-14.448.30000109.4
1332N33.2Very low30.7Very low150 Ų150124 Ų12480%0.80269%0.691SS**  trans69.8116.4175.1-53.6-21.2000114.8
1333C28.5Very low30.6Very low102 Ų102123.8 Ų123.869%0.68969%0.694SS**  cis71.8135.327.2-1380000112.9
1334T31.8Very low30.6Very low116 Ų116126.3 Ų126.371%0.71271%0.707SS**  cis-141.1172.721.4-24.10000107.5I1336T1334-I1336 HydrophobicContact CG2-CD1 4.09Å
1335K31.3Very low30.4Very low186 Ų186125.6 Ų125.681%0.80971%0.712SS**  cis-158.9-174.216.7-165.9173.8176.1-177.50109.4
1336I30Very low30.3Very low104 Ų104128.8 Ų128.853%0.53372%0.719SS.*  -167.8124.4-92.2-89162000109.9T1334 S1338T1334-I1336 HydrophobicContact CG2-CD1 4.09Å; I1336-S1338 WeakPolarHBondContact CG2-OG 3.46Å
1337T36.5Very low30.2Very low142 Ų142133.1 Ų133.187%0.87173%0.73SS**  trans178.979.6156.633.60000106.3
1338S28.3Very low30.2Very low83 Ų83131.8 Ų131.858%0.5873%0.725SS**  cis72.1124.631.989.20000113.9I1336I1336-S1338 WeakPolarHBondContact CG2-OG 3.46Å
1339T27.8Very low30.3Very low119 Ų119129.9 Ų129.973%0.7372%0.719SS**  cis-138.8149.86.148.70000109.8
1340T34.8Very low30.4Very low119 Ų119127.4 Ų127.473%0.7371%0.706SS**  cis71.4158.836.182.50000113.2
1341P40.4Very low30.5Very low100 Ų100125.7 Ų125.765%0.64970%0.7SS**  -112.2-160.9-119.428-4.8000111.9
1342F25.6Very low30.4Very low201 Ų201129.1 Ų129.188%0.88271%0.709SS**  172.3168.1127.4-95.4-62.8000113.9
1343S26.8Very low30.5Very low99 Ų99128.4 Ų128.469%0.69271%0.706SS**  trans-103167.7175.9-43.10000111.9
1344L28Very low31.1Very low166 Ų166130.6 Ų130.687%0.86971%0.706SS**  trans77.9157.4167.4-83.278.6000119.5
1345S25.7Very low31.1Very low109 Ų109130.9 Ų130.976%0.76270%0.702SS**  trans77.898.6166.2520000120.8
1346Y25.5Very low31.2Very low210 Ų210128.4 Ų128.482%0.82470%0.697SS**  37.5137.3122.8-83.4-93000122.5
1347H26.9Very low31.4Very low174 Ų174127.5 Ų127.581%0.80670%0.697SS**  trans60.5113.8168.4-58.4-69000114.7
1348D30Very low31.1Very low118 Ų118130.2 Ų130.263%0.63169%0.691SS**  -167.8132.855.3-178.8-16.7000109.1N1350D1348-N1350 PolarHBondContact O-N 3.44Å; D1348-N1350 VanDerWaalsContact OD1-CB 3.25Å; D1348-N1350 WeakPolarHBondContact OD1-CB 3.39Å; D1348-N1350 PolarHBondContact OD1-N 2.72Å
1349P32.5Very low31.3Very low84 Ų84134 Ų13455%0.54570%0.704SS.*SBendtrans-64.4-18.2177.7-19.931.9000114.9E1014 T1351E1014-P1349 HydrophobicContact CB-CG 3.8Å; P1349-T1351 PolarHBondContact O-N 2.87Å
1350N31.9Very low31.5Very low73 Ų73134.9 Ų134.939%0.3970%0.704SS.*  trans-100.738.1-148.7-146.7-26.6000116.1D1016 D1348D1016-N1350 VanDerWaalsContact CG-ND2 3.33Å; D1016-N1350 PolarHBondContact OD1-ND2 3.43Å; D1016-N1350 PolarHBondContact OD2-ND2 3.38Å; D1016-N1350 PolarHBondContact OD2-OD1 3.49Å; D1348-N1350 PolarHBondContact O-N 3.44Å; D1348-N1350 VanDerWaalsContact OD1-CB 3.25Å; D1348-N1350 WeakPolarHBondContact OD1-CB 3.39Å; D1348-N1350 PolarHBondContact OD1-N 2.72Å
1351T35.2Very low31.3Very low106 Ų106133.1 Ų133.165%0.6570%0.697SS**  trans-151.349.8176.9-30.80000117.4P1349P1349-T1351 PolarHBondContact O-N 2.87Å
1352M28.4Very low30.8Very low150 Ų150135.6 Ų135.674%0.73970%0.702SS**  trans-130.317.7160.5-140.4-176.5-6900116.8Q1354M1352-Q1354 PolarHBondContact O-N 2.85Å
1353N35.6Very low31.1Very low135 Ų135131.2 Ų131.272%0.72269%0.693SS**THydrogen-bonded Turntrans-69.339.8166.5-77.3-44.9000113.6T1357N1353-T1357 PolarHBondContact O-OG1 3.31Å
1354Q40Very low31.4Very low148 Ų148129.5 Ų129.569%0.69269%0.685SS**THydrogen-bonded Turntrans-133.8-11-179-63.1-165.731.200116M1352 T1357M1352-Q1354 PolarHBondContact O-N 2.85Å; Q1354-T1357 PolarHBondContact N-OG1 3.4Å
1355L32.5Very low31.5Very low123 Ų123127.7 Ų127.764%0.64468%0.681SS**THydrogen-bonded Turntrans-107.2-44.4177.2-93.5165.6000114.1T1357 R1358L1355-T1357 PolarHBondContact O-N 3.46Å; L1355-R1358 PolarHBondContact O-N 3.07Å; L1355-R1358 VanDerWaalsContact O-N 3.16Å
1356L32.7Very low31.8Very low134 Ų134131.1 Ų131.170%0.70269%0.685SS**G310 helixtrans-63.3-24.6166.9-96.963.4000111.7R1358 L1359 N1360L1356-R1358 PolarHBondContact O-N 3.39Å; L1356-R1358 VanDerWaalsContact O-N 3.1Å; L1356-L1359 PolarHBondContact O-N 2.9Å; L1356-N1360 PolarHBondContact O-N 3.08Å
1357T34.5Very low32.1Very low85 Ų85132 Ų13252%0.52169%0.688SS.*G310 helixtrans-71.69.6173.7-25.30000114.2N1353 Q1354 L1355N1353-T1357 PolarHBondContact O-OG1 3.31Å; Q1354-T1357 PolarHBondContact N-OG1 3.4Å; L1355-T1357 PolarHBondContact O-N 3.46Å
1358R30.1Very low32.3Very low199 Ų199129.7 Ų129.775%0.75169%0.691SS**G310 helixtrans-121.5-5.1174-82.7-173.1170.8174.50.6115.8L1355 L1356L1355-R1358 PolarHBondContact O-N 3.07Å; L1355-R1358 VanDerWaalsContact O-N 3.16Å; L1356-R1358 PolarHBondContact O-N 3.39Å; L1356-R1358 VanDerWaalsContact O-N 3.1Å
1359L31.9Very low32.5Very low162 Ų162134.9 Ų134.985%0.84870%0.702SS**THydrogen-bonded Turntrans-125.1-16.4174.1-71.3174.8000114.1L1356L1356-L1359 PolarHBondContact O-N 2.9Å
1360N31.8Very low32.5Very low137 Ų137136.6 Ų136.673%0.73371%0.713SS**SBendtrans-98.325.6171.3-75.2-45.6000113.7L1356 M1362L1356-N1360 PolarHBondContact O-N 3.08Å; N1360-M1362 PolarHBondContact O-N 3.27Å
1361S30.8Very low32.3Very low83 Ų83138.3 Ų138.358%0.5872%0.723SS**  trans-96.986.1171.159.80000111.4
1362M31.2Very low32.2Very low152 Ų152139.4 Ų139.475%0.74972%0.72SS**  trans-0.5139.2145.2-83.3-76.311600117N1360 A1364N1360-M1362 PolarHBondContact O-N 3.27Å; M1362-A1364 HydrophobicContact CE-CB 4.09Å; M1362-A1364 HydrophobicContact SD-CB 3.87Å; M1362-A1364 PolarHBondContact SD-N 2.87Å
1363P31.7Very low32.2Very low108 Ų108134.9 Ų134.970%0.70170%0.704SS**  -135.3129.660.935.3-19.7000116.7T1365P1363-T1365 PolarHBondContact O-N 3.01Å
1364A31.8Very low32Very low64 Ų64137.2 Ų137.253%0.52970%0.702SS.*  trans-58.3126.6142.900000108.2M1362 H1366M1362-A1364 HydrophobicContact CE-CB 4.09Å; M1362-A1364 HydrophobicContact SD-CB 3.87Å; M1362-A1364 PolarHBondContact SD-N 2.87Å; A1364-H1366 VanDerWaalsContact C-N 3.33Å; A1364-H1366 PolarHBondContact O-N 3.39Å
1365T31Very low31.7Very low128 Ų128135.1 Ų135.179%0.78570%0.696SS**  trans-79.274.4-16637.80000113P1363 Y1367P1363-T1365 PolarHBondContact O-N 3.01Å; T1365-Y1367 PolarHBondContact O-N 3.12Å
1366H31.4Very low31.6Very low181 Ų181136 Ų13684%0.83870%0.698SS**  trans-59125.6169.3-100.4-87.1000111.4A1364 S1368A1364-H1366 VanDerWaalsContact C-N 3.33Å; A1364-H1366 PolarHBondContact O-N 3.39Å; H1366-S1368 PolarHBondContact O-N 3.03Å
1367Y31.4Very low31.7Very low229 Ų229134.9 Ų134.990%0.89869%0.692SS**  trans-61.9120.9174.3-93.8-114.8000111.1T1365T1365-Y1367 PolarHBondContact O-N 3.12Å
1368S31.8Very low31.7Very low124 Ų124140.8 Ų140.887%0.86771%0.705SS**  trans-154.8120.6158-83.80000110.5H1366H1366-S1368 PolarHBondContact O-N 3.03Å
1369R34.5Very low31.9Very low227 Ų227136.6 Ų136.686%0.85770%0.701SS**  trans-118120.2-173.7-175.7-173.1-173.8-173.84.7108.3
1370P31.5Very low32.2Very low121 Ų121136.3 Ų136.379%0.78670%0.695SS**  -135.2138.9110.833.1-20.6000111.3
1371D29.6Very low32.2Very low109 Ų109134.3 Ų134.358%0.58369%0.692SS**  cis89147.647.3-164.637.3000114.7
1372Q32Very low32.4Very low128 Ų128136 Ų13660%0.59870%0.702SS**  trans66.465.1164.1-83.9174.185.800122.2T884T884-Q1372 PolarHBondContact OG1-O 3.34Å
1373S27.7Very low32.6Very low56 Ų56133.1 Ų133.139%0.39270%0.697SS.*  72.6155.8103.378.90000123.6T884T884-S1373 PolarHBondContact OG1-O 3.37Å
1374R32.6Very low32.8Very low183 Ų183140 Ų14069%0.69171%0.709SS**  trans78.2135.5136.2-87.6169.5-173.81582.9121.6P885P885-R1374 VanDerWaalsContact CD-O 3.24Å; P885-R1374 WeakPolarHBondContact CD-O 3.49Å; P885-R1374 WeakPolarHBondContact CG-O 3.46Å
1375N33.1Very low33Very low104 Ų104140.2 Ų140.256%0.55672%0.718SS**  trans102.5131.8150.2-60.5-24.7000115.8
1376M31.6Very low33.5Very low142 Ų142144.1 Ų144.170%0.772%0.724SS**  cis-170.1176.7-3.4-129.2-168-54.500115.1
1377I33.7Very low33.6Very low111 Ų111140.3 Ų140.357%0.56972%0.718SS**  trans91.698.7142.4-81.8156.9000119.1
1378R35.1Very low33.9Very low208 Ų208139.9 Ų139.979%0.78571%0.714SS**  trans68.2139.9134.4-58.5178.4-170.5169.33.8116.8
1379T33.7Very low34.2Very low111 Ų111142.6 Ų142.668%0.68171%0.707SS**  -147.413651.235.50000116.1
1380H37.6Very low34.4Very low157 Ų157141.1 Ų141.173%0.72770%0.703SS**  trans57.6139142-56.1-45.9000121.3
1381S32.3Very low34.4Very low94 Ų94140.7 Ų140.766%0.65770%0.703SS**  cis-168.1160.2-6.6-102.40000111.7
1382C34.8Very low34.9Very low118 Ų118144.1 Ų144.180%0.79772%0.715SS**  trans69.9145.2164.2-68.80000119.1
1383S34.9Very low34.9Very low93 Ų93141.1 Ų141.165%0.6572%0.718SS**  cis-168.4132-17.4-108.20000112.6
1384R37Very low35.1Very low251 Ų251144.4 Ų144.495%0.94774%0.741SS**  trans62.7133156.6-54.3159.5105158.82.6117.6
1385G36.9Very low35.2Very low69 Ų69140.3 Ų140.371%0.71175%0.747SS**  cis155.1167.2-8.100000114.1
1386K41.1Very low35.3Very low210 Ų210140.4 Ų140.491%0.91376%0.755SS**  trans76.7115.6-177.6-51171.8-177.2175.80113.4
1387S33Very low35.5Very low101 Ų101139.6 Ų139.671%0.70676%0.758SS**  cis86.3114.734.6-171.10000114.7
1388R38.2Very low35.7Very low220 Ų220139.7 Ų139.783%0.8377%0.766SS**  -175.5148100.9-92.4-168.6-109.5-154-2.1113.8
1389Y37.2Very low35.4Very low182 Ų182136.1 Ų136.171%0.71476%0.762SS**  trans8.9145.7151.6-52.7-111.2000119.5
1390Y38.6Very low35.7Very low196 Ų196136.7 Ų136.777%0.76977%0.768SS**  cis-153.1160.445.1-96.2-84.8000114.1
1391S30.9Very low35.4Very low112 Ų112133 Ų13378%0.78376%0.764SS**  trans-119118.1173.3-55.30000112
1392H40.1Very low35.6Very low181 Ų181133.9 Ų133.984%0.83877%0.771SS**  trans-148.1146.4156-64.2-75.8000107.6
1393G32.6Very low35.8Very low65 Ų65134 Ų13467%0.6777%0.77SS**  cis141.6117.1-700000112.5
1394S31.5Very low35.6Very low125 Ų125134.7 Ų134.787%0.87477%0.77SS**  trans71.4146.9164.4-51.70000118.9
1395A34.8Very low35.2Very low97 Ų97133.9 Ų133.980%0.80277%0.767SS**  trans64.5146.5159.200000118.1
1396S35.6Very low34.7Very low106 Ų106134.4 Ų134.474%0.74176%0.76SS**  cis-161.1160.7-16.343.40000109.3P1398S1396-P1398 WeakPolarHBondContact O-CD 3.47Å
1397V36.5Very low34Very low124 Ų124135.3 Ų135.375%0.75276%0.758SS**  trans-56.5137.1174.6-178.70000110.8
1398P38.5Very low33.7Very low114 Ų114135 Ų13574%0.7476%0.756SS**  -127.3143.4119.736-31.2000112.2S1396S1396-P1398 WeakPolarHBondContact O-CD 3.47Å
1399D27.1Very low33.1Very low132 Ų132130.3 Ų130.371%0.70676%0.756SS**  trans-66.4139.2167.8-65.6-69.3000111.5A1401D1399-A1401 VanDerWaalsContact O-CB 3.24Å; D1399-A1401 WeakPolarHBondContact O-CB 3.35Å
1400P41.4Very low32.7Very low123 Ų123128.7 Ų128.780%0.79976%0.759SS**  trans-85.687.3147.832.4-24.5000107.4
1401A30.1Very low32.1Very low79 Ų79125.7 Ų125.765%0.65377%0.766SS**  49.3107.863.600000112.4D1399D1399-A1401 VanDerWaalsContact O-CB 3.24Å; D1399-A1401 WeakPolarHBondContact O-CB 3.35Å
1402S37.7Very low32.1Very low114 Ų114124.6 Ų124.680%0.79776%0.759SS**  trans-65.3125.9-174.2-179.80000113.3V1404S1402-V1404 PolarHBondContact O-N 2.97Å; S1402-V1404 VanDerWaalsContact O-N 3.12Å
1403P39.2Very low31.6Very low119 Ų119118.9 Ų118.977%0.77375%0.749SS**  trans-85.986-177.733.3-34000113.3
1404V30.3Very low31.5Very low109 Ų109121.9 Ų121.966%0.66176%0.755SS**  45.1104.1128.6-176.40000118.5S1402 S1406S1402-V1404 PolarHBondContact O-N 2.97Å; S1402-V1404 VanDerWaalsContact O-N 3.12Å; V1404-S1406 VanDerWaalsContact CG1-OG 3.29Å; V1404-S1406 WeakPolarHBondContact CG1-OG 3.38Å; V1404-S1406 PolarHBondContact O-N 2.9Å
1405R28.5Very low31.3Very low234 Ų234122.8 Ų122.888%0.88375%0.745SS**  trans-61.672.4162.2-175.2-163.7-164.4-107.19.9114.1
1406S26.1Very low31.2Very low80 Ų80126.8 Ų126.856%0.55975%0.747SS**  trans-168.7155.5167.860.70000113.2V1404V1404-S1406 VanDerWaalsContact CG1-OG 3.29Å; V1404-S1406 WeakPolarHBondContact CG1-OG 3.38Å; V1404-S1406 PolarHBondContact O-N 2.9Å
1407W26.2Very low30.9Very low229 Ų229126 Ų12687%0.86774%0.741SS**  cis-169.3-173.4-12.6-105.99.5000106.7
1408S27Very low30.9Very low95 Ų95127.4 Ų127.466%0.66474%0.744SS**  trans72.1112.2163.7-500000115.2
1409S26.1Very low30.5Very low120 Ų120127.4 Ų127.484%0.83974%0.742SS**  cis58.389.241.4-46.30000113.7
1410I29.2Very low30.9Very low148 Ų148129.3 Ų129.376%0.75975%0.752SS**  trans-133.173.7160.6-48-179.7000109.5S1412I1410-S1412 VanDerWaalsContact C-N 3.32Å; I1410-S1412 VanDerWaalsContact CG2-O 3.24Å; I1410-S1412 WeakPolarHBondContact CG2-O 3.47Å
1411S25.7Very low30.6Very low133 Ų133132.9 Ų132.993%0.9375%0.75SS**  trans-99.461.6164.1-165.50000110.1
1412S30.1Very low30.9Very low89 Ų89136.9 Ų136.962%0.62276%0.758SS**  trans-169.4105.1170.252.60000104.3I1410I1410-S1412 VanDerWaalsContact C-N 3.32Å; I1410-S1412 VanDerWaalsContact CG2-O 3.24Å; I1410-S1412 WeakPolarHBondContact CG2-O 3.47Å
1413G29.7Very low30.8Very low62 Ų62135 Ų13564%0.63974%0.738SS**  93.3161.853.800000108
1414T29.8Very low30.7Very low128 Ų128133.4 Ų133.479%0.78573%0.729SS**  trans62.5132.1-169.415.80000113
1415E28.8Very low31.1Very low143 Ų143131.3 Ų131.367%0.66871%0.711SS**  cis-167.2152.5-11-133.1169.7-154.800109.5
1416H32.7Very low31.4Very low182 Ų182125.1 Ų125.184%0.84370%0.704SS**  trans63.8162.4159.2-60-35.3000117.6
1417S29.4Very low31.9Very low90 Ų90126.1 Ų126.163%0.62970%0.695SS**  cis-160.8-173.8-26.9-178.50000107.9
1418L35.1Very low32.5Very low152 Ų152125.1 Ų125.180%0.79670%0.697SS**  trans62.874.4168.2-49.5-178.1000115.2
1419T30.5Very low32.9Very low115 Ų115125.6 Ų125.671%0.70669%0.689SS**  59.6110.978.5-53.50000115.3
1420N36.1Very low33.3Very low172 Ų172127.8 Ų127.892%0.9269%0.69SS**  trans-141151.3141.4-110.8-38.7000110.3
1421R33.8Very low33.7Very low198 Ų198125.5 Ų125.575%0.74768%0.68SS**  trans-98.5150.1-168-74.3172.2167.8174.6-1.9112.9I1423R1421-I1423 HydrophobicContact CB-CD1 4Å; R1421-I1423 HydrophobicContact CB-CG1 4.18Å; R1421-I1423 HydrophobicContact CG-CD1 3.99Å; R1421-I1423 HydrophobicContact CG-CG1 4.44Å
1422I36.3Very low34.2Very low162 Ų162126.5 Ų126.583%0.83168%0.675SS**  trans173.185130.7-82.6146.8000105.4
1423I37.2Very low34.4Very low75 Ų75129.1 Ų129.139%0.38568%0.677SS.*  70.999.169.6-58.5-173.5000113.7I415 T416 R1421I415-I1423 CarbonylContact C-O 2.98Å; I415-I1423 WeakPolarHBondContact O-CG2 3.44Å; T416-I1423 PolarHBondContact N-O 3.17Å; R1421-I1423 HydrophobicContact CB-CD1 4Å; R1421-I1423 HydrophobicContact CB-CG1 4.18Å; R1421-I1423 HydrophobicContact CG-CD1 3.99Å; R1421-I1423 HydrophobicContact CG-CG1 4.44Å
1424C35.9Very low34.7Very low86 Ų86132.9 Ų132.958%0.58169%0.688SS**  trans-139.4126.7172.3-77.10000112.2T416T416-C1424 HydrophobicContact CG2-CB 3.47Å; T416-C1424 VanDerWaalsContact CG2-CB 3.47Å
1425K39Very low34.9Very low65 Ų65133.3 Ų133.328%0.28369%0.685SS.*  trans-105.1147.9173.5-92.1-179.8-160.5100.90110.2K413 R414 I415 T416K413-K1425 PolarHBondContact O-NZ 2.8Å; R414-K1425 HydrophobicContact CB-CB 4.44Å; R414-K1425 HydrophobicContact CB-CD 4.29Å; R414-K1425 HydrophobicContact CB-CG 3.38Å; R414-K1425 HydrophobicContact CG-CB 3.98Å; R414-K1425 HydrophobicContact CG-CG 3.29Å; R414-K1425 PolarHBondContact O-NZ 2.62Å; I415-K1425 HydrophobicContact CB-CB 3.83Å; I415-K1425 HydrophobicContact CB-CD 3.7Å; I415-K1425 HydrophobicContact CB-CG 3.84Å; I415-K1425 HydrophobicContact CD1-CD 4.04Å; I415-K1425 HydrophobicContact CG1-CB 3.85Å; I415-K1425 HydrophobicContact CG1-CD 3.97Å; I415-K1425 HydrophobicContact CG1-CG 4.26Å; I415-K1425 VanDerWaalsContact N-CG 3.3Å; T416-K1425 WeakPolarHBondContact CG2-O 3.46Å; T416-K1425 PolarHBondContact OG1-N 3.48Å; T416-K1425 PolarHBondContact OG1-O 3.13Å
1426S35.1Very low35.2Very low104 Ų104131.7 Ų131.773%0.72769%0.69SS**  -149.8147.7119.850.30000108.7R414R414-S1426 VanDerWaalsContact NH1-C 3.25Å; R414-S1426 PolarHBondContact NH1-O 3.24Å; R414-S1426 PolarHBondContact NH2-O 2.83Å
1427R36.9Very low35.1Very low100 Ų100126 Ų12638%0.37768%0.681SS.*  trans-140.1143-174.4-134.1-176.5-148-179.422.1111.5D412 R414 Q1429D412-R1427 VanDerWaalsContact CG-NH2 3.33Å; D412-R1427 IonicContact OD1-NH2 2.97Å; D412-R1427 PolarHBondContact OD1-NH2 3.1Å; D412-R1427 IonicContact OD2-CZ 2.7Å; D412-R1427 IonicContact OD2-NH1 3.35Å; D412-R1427 PolarHBondContact OD2-NH1 3.22Å; D412-R1427 IonicContact OD2-NH2 2.69Å; D412-R1427 PolarHBondContact OD2-NH2 3.16Å; R414-R1427 VanDerWaalsContact NH1-CB 3.26Å; R1427-Q1429 VanDerWaalsContact CD-OE1 3.3Å; R1427-Q1429 HydrophobicContact CG-CB 4.13Å
1428K37.4Very low35.3Very low209 Ų209130.8 Ų130.891%0.90969%0.69SS**  trans-165.1122.4132.6-88.9162.4-176.4-172.30102
1429Q37.2Very low35.4Very low104 Ų104129.6 Ų129.649%0.48668%0.684SS.*  cis63.893.120.5-136.1-172.6-3.200114.6R1427 N1431R1427-Q1429 VanDerWaalsContact CD-OE1 3.3Å; R1427-Q1429 HydrophobicContact CG-CB 4.13Å; Q1429-N1431 HydrophobicContact CG-CB 4.2Å
1430L33.8Very low35.4Very low166 Ų166129.7 Ų129.787%0.86968%0.676SS**  trans-107.7148.2136.8-100.1162.1000107.1
1431N37.1Very low35.4Very low101 Ų101127.4 Ų127.454%0.5467%0.668SS.*  trans-167.695.1-168.5178.5119000108.6Q1429Q1429-N1431 HydrophobicContact CG-CB 4.2Å
1432D37.2Very low35.2Very low154 Ų154126.9 Ų126.982%0.82467%0.666SS**  trans-96.6131.8173-66.8-45.7000110.7
1433Q34.5Very low35.1Very low143 Ų143128.5 Ų128.567%0.66866%0.663SS**  trans-95.1151.9172.5-73171.9-113.900109.6D1435Q1433-D1435 PolarHBondContact NE2-OD2 3.02Å
1434T35Very low35.1Very low142 Ų142131.2 Ų131.287%0.87168%0.678SS**  trans-138.4111.8145.4-38.60000109.1
1435D33.7Very low34.7Very low136 Ų136134.8 Ų134.873%0.72769%0.688SS**  trans-94.5123.2177.9-86.9-75.5000111.3Q1433Q1433-D1435 PolarHBondContact NE2-OD2 3.02Å
1436S36.1Very low34.5Very low110 Ų110141 Ų14177%0.76972%0.715SS**  trans-165.7136.4156.250.30000107.1
1437G30.5Very low34.3Very low63 Ų63141.3 Ų141.365%0.64971%0.713SS**  cis80.6110.249.600000107.3
1438F33.8Very low34.1Very low190 Ų190144.1 Ų144.183%0.83373%0.734SS**  -158.2151.455.6-106.7-115.7000113.6
1439I36.9Very low33.8Very low127 Ų127140.8 Ų140.865%0.65173%0.727SS**  trans31.4111.5132.7-59.2-171000117.2
1440E30.1Very low33.6Very low116 Ų116140.9 Ų140.954%0.54273%0.734SS.*  79.8116.163.1175.3178.6-128.500116.2R1442E1440-R1442 HydrophobicContact CG-CG 4.27Å; E1440-R1442 IonicContact OE1-CZ 3.1Å; E1440-R1442 IonicContact OE1-NE 3.87Å; E1440-R1442 PolarHBondContact OE1-NE 3.17Å; E1440-R1442 IonicContact OE1-NH2 2.68Å; E1440-R1442 PolarHBondContact OE1-NH2 2.98Å; E1440-R1442 IonicContact OE2-NH2 4Å
1441T35.7Very low33.5Very low124 Ų124139.9 Ų139.976%0.76173%0.73SS**  trans-176.3119.4137.913.60000106.4
1442R29.6Very low33.2Very low188 Ų188144.7 Ų144.771%0.70975%0.746SS**  65.9150.455.4-61.9-157.5-159-172.915.7114.6E1440E1440-R1442 HydrophobicContact CG-CG 4.27Å; E1440-R1442 IonicContact OE1-CZ 3.1Å; E1440-R1442 IonicContact OE1-NE 3.87Å; E1440-R1442 PolarHBondContact OE1-NE 3.17Å; E1440-R1442 IonicContact OE1-NH2 2.68Å; E1440-R1442 PolarHBondContact OE1-NH2 2.98Å; E1440-R1442 IonicContact OE2-NH2 4Å
1443Y34.4Very low33.1Very low195 Ų195143.1 Ų143.177%0.76574%0.744SS**  trans89.5138172.6-64.8-89.8000118.5
1444L37.1Very low33.3Very low132 Ų132143.4 Ų143.469%0.69175%0.749SS**  cis-160.6113.6-38.8-118.3-165.3000110
1445M28.9Very low33.4Very low161 Ų161141.8 Ų141.879%0.79374%0.741SS**  trans5.6114.6136.6-179-178.4-176.300119.5
1446K34.6Very low33.3Very low196 Ų196144.1 Ų144.185%0.85275%0.748SS**  trans-167.8133142.6-95.7143.3-175.8-1790108.1
1447T29.7Very low33Very low110 Ų110142 Ų14268%0.67574%0.744SS**  cis97.7137.338.8-53.50000112.1
1448L33.4Very low33.3Very low160 Ų160145.2 Ų145.284%0.83876%0.756SS**  trans73.1131.3-175.4-44177.1000113.5
1449N30.9Very low33.4Very low139 Ų139140.8 Ų140.874%0.74375%0.749SS**  cis9614120-157.728.5000115.4
1450T32.7Very low33.2Very low105 Ų105139.2 Ų139.264%0.64475%0.749SS**  trans71.5115.4174.155.80000122.2
1451N31Very low33.6Very low145 Ų145138.8 Ų138.878%0.77576%0.755SS**  71.5103.8128.7-56.3-11000124.7
1452K32.1Very low33.7Very low203 Ų203142 Ų14288%0.88375%0.754SS**  trans60.1-174148.9-63.6-169.3173.9-1760116.1
1453P35.2Very low34Very low120 Ų120138.9 Ų138.978%0.77975%0.751SS**  -121.8-160.3-78.440.6-26.6000113.6
1454L37.2Very low34.1Very low149 Ų149136.7 Ų136.778%0.7875%0.747SS**  trans-35157.9165.8-99.271.9000115.6
1455P37.5Very low34Very low108 Ų108134.5 Ų134.570%0.70174%0.737SS**  cis-146.81754042.1-22.1000120.2
1456Q31.6Very low34.2Very low185 Ų185134.8 Ų134.886%0.86473%0.733SS**  trans-9.4154.6151.6-56.8162.5-41.400121.2
1457G30.6Very low34Very low67 Ų67130 Ų13069%0.69173%0.725SS**  trans159.7119.3135.600000117.8
1458S36.4Very low33.9Very low129 Ų129132 Ų13290%0.90273%0.731SS**  trans66.8146.2154.3-57.30000119.2
1459S35Very low33.7Very low98 Ų98130.6 Ų130.669%0.68572%0.72SS**  cis-161.7156.5-14.4-177.30000110.1
1460S34.1Very low33.6Very low93 Ų93132.1 Ų132.165%0.6572%0.72SS**  trans37.3138.8145.661.30000120.6
1461T38.8Very low33.5Very low108 Ų108133.5 Ų133.566%0.66372%0.723SS**  cis-175.5178.621.77.70000107.7
1462Y37.5Very low33.4Very low192 Ų192133.7 Ų133.775%0.75372%0.724SS**  cis-141146.811.7-121.4-73.6000110
1463L36.2Very low33.4Very low122 Ų122129 Ų12964%0.63972%0.717SS**  trans5.6154.7161.1-61174.1000121.5
1464E36.4Very low33.1Very low148 Ų148132.7 Ų132.769%0.69272%0.717SS**  cis-147.7132.521.5-164.7124.9-167.200115.9
1465N34.5Very low32.9Very low87 Ų87131.3 Ų131.347%0.46571%0.71SS.*  trans37.8123.3144.7-70.9-40.2000123.5
1466K33.3Very low32.6Very low166 Ų166135.1 Ų135.172%0.72271%0.712SS**  69116.3123.6-64.2168.8-168147.50117.3
1467S29.4Very low32.6Very low96 Ų96132 Ų13267%0.67170%0.701SS**  cis58.5135.238.9-41.30000114
1468D28.4Very low32.6Very low151 Ų151138.9 Ų138.981%0.80771%0.706SS**  trans68.1147.3167.7-55.4-28.3000114.4
1469H29.5Very low32.2Very low131 Ų131138.7 Ų138.761%0.60670%0.699SS**  cis-163.3173.2-1.3-142.2-96.8000108.8
1470F28.3Very low32.1Very low171 Ų171139.6 Ų139.675%0.7570%0.701SS**  trans70.1154.3154.2-67.2-53.8000122.5
1471L31.6Very low32Very low135 Ų135141.8 Ų141.871%0.70771%0.706SS**  trans44.7115.1145.9-87.268000118.6
1472N28.6Very low31.7Very low148 Ų148143.6 Ų143.679%0.79171%0.71SS**  90.9148.469.8-88.211.3000112.5
1473S31.6Very low31.4Very low104 Ų104138.4 Ų138.473%0.72770%0.702SS**  trans71.4123173.3-132.90000112.6
1474Y29.1Very low31.3Very low199 Ų199140 Ų14078%0.7871%0.706SS**  51.1130.253.4-62.2-83.9000111.7
1475D31.7Very low31.1Very low120 Ų120141.8 Ų141.864%0.64271%0.708SS**  cis-150.1168.327.8-134.1-28.3000116
1476Y32.8Very low31.1Very low188 Ų188144.2 Ų144.274%0.73772%0.721SS**  trans-17.1145.2144.2-81.6-137.6000115
1477N31.5Very low31.3Very low119 Ų119145 Ų14564%0.63673%0.727SS**  -171150.786.1-106.3-72.9000116.9
1478R29.7Very low31.6Very low212 Ų212147.6 Ų147.680%0.873%0.733SS**  trans61.3116.2151.4-74.3160.9-174.9-125.8-7.4118.1
1479T29.1Very low32.1Very low124 Ų124147.9 Ų147.976%0.76173%0.734SS**  cis67.9112.949.9-51.50000112.5
1480T32.6Very low32.5Very low117 Ų117149.3 Ų149.372%0.71874%0.738SS**  -161.9142.1117.523.40000110.2
1481N31.5Very low32.7Very low140 Ų140148.6 Ų148.675%0.74974%0.735SS**  trans67.9148.1155.6-60.7-15.1000119.1
1482L31.7Very low33.1Very low146 Ų146149.9 Ų149.976%0.76474%0.735SS**  cis-161.8154.8-28.7-168.557.1000107.9
1483S31.2Very low33.5Very low82 Ų82151.6 Ų151.657%0.57374%0.735SS**  trans51.9123.115555.30000121
1484Q34.2Very low33.4Very low156 Ų156150.4 Ų150.473%0.72973%0.727SS**  trans89.6133.7130.4-78.9173.6-49.300122.2
1485Y32Very low33.7Very low185 Ų185147.4 Ų147.473%0.72572%0.724SS**  trans68.887160.5-64.1-63.4000120.5
1486N35.8Very low33.8Very low139 Ų139148.8 Ų148.874%0.74373%0.727SS**  54.5123.3120.9-58.718.7000120.5
1487E36.3Very low33.8Very low181 Ų181146.6 Ų146.685%0.84673%0.726SS**  trans-1.1135.2132.9-59.7170.3177.700116
1488D36.6Very low34Very low151 Ų151147.8 Ų147.881%0.80773%0.733SS**  cis-143157.240.2-133-30000116.5
1489I39.4Very low34Very low158 Ų158142 Ų14281%0.8172%0.724SS**  trans-100.596.8-176.3-65.2176.9000112.3
1490K36.5Very low34Very low161 Ų161147.3 Ų147.370%0.773%0.731SS**  16.4129.5120.8-91.4172.2173.5164.30120.1
1491F33.9Very low34Very low156 Ų156148.2 Ų148.268%0.68474%0.736SS**  92.2129.5127.7-83-38.9000123.4
1492K39.3Very low34.1Very low161 Ų161152.4 Ų152.470%0.774%0.743SS**  98.9111.4123.4-82.3169.1-171.5175.70122.3
1493K36.1Very low34Very low184 Ų184151.4 Ų151.480%0.874%0.743SS**  80.1106.8123-89.3-157.5162.5-160.80121.6
1494S30.9Very low34.1Very low80 Ų80157.5 Ų157.556%0.55975%0.754SS**  46.6118.5110.173.90000120.2
1495N35.8Very low34Very low135 Ų135158.7 Ų158.772%0.72275%0.751SS**  175.1157.8105.8-89.436000105.8
1496E33.8Very low34.2Very low149 Ų149160 Ų16070%0.69676%0.761SS**  cis165.5176.3-9.5-169.3-175.9164.300103.9
1497I32.9Very low34Very low142 Ų142161.5 Ų161.573%0.72876%0.763SS**  trans76.895.9162.1-51.8-175.2000118.1
1498D33.9Very low33.9Very low145 Ų145158.9 Ų158.978%0.77577%0.765SS**  78.9175.5127-152.219000121.4
1499S29.9Very low33.5Very low89 Ų89163 Ų16362%0.62277%0.769SS**  -132.9120.4-126.9-45.40000114.4
1500R30.8Very low33.1Very low237 Ų237160.5 Ų160.589%0.89477%0.766SS**  trans176.7128.9136.2-96.4150.9-169.2-1420.2112.2
1501T31.2Very low32.8Very low135 Ų135159.4 Ų159.483%0.82877%0.768SS**  trans48.875.6150-40.40000117.4
1502Y33.2Very low33Very low228 Ų228158.7 Ų158.789%0.89477%0.771SS**  trans-146.2150.9163.4-118.9-82.5000113.6
1503T31.1Very low32.6Very low125 Ų125160.2 Ų160.277%0.76778%0.781SS**  trans-94.2132.4-174.143.40000113.2
1504R32.7Very low32.7Very low211 Ų211157.7 Ų157.780%0.79678%0.776SS**  trans-164.3146.9158.4-124.3172-175.7-113.36.8117.2
1505R31.6Very low33.2Very low180 Ų180158.1 Ų158.168%0.67977%0.772SS**  trans-30.3146.8164-64.1166.6-117.2171.6-8.3116.5
1506K36.3Very low33.3Very low213 Ų213157 Ų15793%0.92677%0.772SS**  trans-127.1144.9136.3-80.2-165.9174.9-176.30110.3
1507H32.2Very low33.3Very low170 Ų170156 Ų15679%0.78777%0.767SS**  trans-99.8143.3161.4-64.8-88.7000108.4
1508S33.7Very low33.5Very low127 Ų127157 Ų15789%0.88877%0.766SS**  trans-145.7136.9142-820000106.8
1509R28.4Very low33.4Very low236 Ų236158.7 Ų158.789%0.89176%0.763SS**  trans-95.5133.2168.2-78.3176.6167166.8-9108.5
1510S32.1Very low33.8Very low106 Ų106158.8 Ų158.874%0.74176%0.756SS**  trans-117.2147.1142.948.20000106.6
1511N28.7Very low34.1Very low139 Ų139150.5 Ų150.574%0.74373%0.732SS**  trans-100.6115.7177.8-61.9-16.4000108
1512D38.5Very low34.7Very low141 Ų141150 Ų15075%0.75473%0.729SS**  trans-132.3139.8154-67.2-67.2000105.6
1513Q31.6Very low35.5Very low193 Ų193143.4 Ų143.490%0.90271%0.709SS**  trans-12856.2-158.5-162.9-178.4-60.900111.5
1514D38Very low36.8Very low130 Ų130141.5 Ų141.570%0.69569%0.694SS**  trans-71.6131.2178.4-58.8-52.1000111.6
1515D40.4Very low38Very low90 Ų90133.6 Ų133.648%0.48167%0.674SS.*  trans-80.1119.4-175.5-165.9-34.2000111.1Q1517 K1518D1515-Q1517 PolarHBondContact O-N 3.31Å; D1515-Q1517 VanDerWaalsContact O-N 3.14Å; D1515-Q1517 WeakPolarHBondContact OD1-CB 3.47Å; D1515-Q1517 PolarHBondContact OD1-N 2.87Å; D1515-K1518 PolarHBondContact O-N 3.35Å
1516P37.6Very low39.5Very low112 Ų112132.4 Ų132.473%0.72768%0.676SS**G310 helixtrans-66.7-10.4179.129.5-36.5000114.2
1517Q35.5Very low40.9Very low126 Ų126124.6 Ų124.659%0.58965%0.648SS**G310 helixtrans-75.4-22.7174.3-61.7-167.1-109.100112.8D1515 Y1519D1515-Q1517 PolarHBondContact O-N 3.31Å; D1515-Q1517 VanDerWaalsContact O-N 3.14Å; D1515-Q1517 WeakPolarHBondContact OD1-CB 3.47Å; D1515-Q1517 PolarHBondContact OD1-N 2.87Å; Q1517-Y1519 VanDerWaalsContact C-N 3.31Å; Q1517-Y1519 PolarHBondContact O-N 2.95Å
1518K35.2Very low42.4Very low164 Ų164116.9 Ų116.971%0.71361%0.612SS**G310 helixtrans-80.1-1.6-170-136.9-165.4-179.7-152.90116D1515D1515-K1518 PolarHBondContact O-N 3.35Å
1519Y33Very low44.1Very low181 Ų181114 Ų11471%0.7159%0.585SS**G310 helixtrans-111.221.8-172.9-73.2-77.6000113.9Q1517Q1517-Y1519 VanDerWaalsContact C-N 3.31Å; Q1517-Y1519 PolarHBondContact O-N 2.95Å
1520L37.8Very low46.1Very low90 Ų90105.9 Ų105.947%0.47156%0.562SS.*SBendtrans-1432.1-169.9-14185000116.4Y1688L1520-Y1688 WeakPolarHBondContact CD1-OH 3Å; L1520-Y1688 HydrophobicContact CD2-CD2 4.38Å; L1520-Y1688 HydrophobicContact CD2-CE2 3.46Å; L1520-Y1688 VanDerWaalsContact CD2-CE2 3.46Å
1521T37Very low47.8Very low64 Ų64103.2 Ų103.239%0.39354%0.535SS..  trans-92.8-0.4-165.748.10000115.4
1522T43.2Very low49.8Very low125 Ų12598.1 Ų98.177%0.76751%0.509SS*.  trans-116.639.4-172.251.30000114.4
1523L50.6Low51.3Low88 Ų8893.7 Ų93.746%0.46149%0.492SS..  trans-103.698.2158.8-88.7160.8000108.3Y1687L1523-Y1687 HydrophobicContact CB-CE1 4.36Å; L1523-Y1687 HydrophobicContact CB-CE2 4.36Å; L1523-Y1687 HydrophobicContact CD1-CE1 3.88Å
1524D58.8Low53Low86 Ų8688.9 Ų88.946%0.4647%0.465SS..  trans-65.9162.8178.759.457.3000112.8E1526 S1527 Y1528D1524-E1526 PolarHBondContact O-N 3.19Å; D1524-E1526 PolarHBondContact OD1-N 2.83Å; D1524-S1527 PolarHBondContact O-N 3.42Å; D1524-S1527 WeakPolarHBondContact OD1-CB 3.37Å; D1524-S1527 PolarHBondContact OD1-N 2.95Å; D1524-S1527 PolarHBondContact OD1-OG 3.16Å; D1524-S1527 PolarHBondContact OD2-OG 3.28Å; D1524-Y1528 PolarHBondContact O-N 3.1Å
1525A58.5Low54.3Low45 Ų4583.8 Ų83.837%0.37244%0.438SS..Hα-helixtrans-64-27.8-177.900000112.7Q1529 L1670A1525-Q1529 VanDerWaalsContact O-CG 3.27Å; A1525-Q1529 WeakPolarHBondContact O-CG 3.44Å; A1525-Q1529 PolarHBondContact O-N 3.23Å; A1525-L1670 HydrophobicContact CB-CD1 4.01Å
1526E62.8Low55.8Low154 Ų15481.2 Ų81.272%0.7243%0.427SS*.Hα-helixtrans-75-41.4-178.5-174.2164.1-163.700111.6D1524 Y1528 Q1529 T1530D1524-E1526 PolarHBondContact O-N 3.19Å; D1524-E1526 PolarHBondContact OD1-N 2.83Å; E1526-Y1528 VanDerWaalsContact C-N 3.32Å; E1526-Y1528 PolarHBondContact O-N 3.24Å; E1526-Q1529 PolarHBondContact O-N 2.92Å; E1526-T1530 VanDerWaalsContact O-CB 3.24Å; E1526-T1530 WeakPolarHBondContact O-CB 3.48Å; E1526-T1530 PolarHBondContact O-N 3.32Å; E1526-T1530 PolarHBondContact O-OG1 3.45Å
1527S64.9Low57.3Low50 Ų5082 Ų8235%0.3542%0.421SS..Hα-helixtrans-59-42.5170.4-64.50000111.4D1524 W1531D1524-S1527 PolarHBondContact O-N 3.42Å; D1524-S1527 WeakPolarHBondContact OD1-CB 3.37Å; D1524-S1527 PolarHBondContact OD1-N 2.95Å; D1524-S1527 PolarHBondContact OD1-OG 3.16Å; D1524-S1527 PolarHBondContact OD2-OG 3.28Å; S1527-W1531 WeakPolarHBondContact O-CB 3.45Å; S1527-W1531 PolarHBondContact O-N 2.9Å
1528Y63.9Low59Low7 Ų778.3 Ų78.33%0.02741%0.405CS..Hα-helixtrans-66-48.1175.5172.8-98.2000112.7D1524 E1526 T1530 W1531 V1532 L1670 Y1687 L1690D1524-Y1528 PolarHBondContact O-N 3.1Å; E1526-Y1528 VanDerWaalsContact C-N 3.32Å; E1526-Y1528 PolarHBondContact O-N 3.24Å; Y1528-T1530 VanDerWaalsContact C-N 3.33Å; Y1528-T1530 PolarHBondContact O-N 3.31Å; Y1528-W1531 HydrophobicContact CD2-CE3 4.37Å; Y1528-W1531 HydrophobicContact CE2-CE3 4.23Å; Y1528-W1531 HydrophobicContact CE2-CZ3 4.3Å; Y1528-W1531 PolarHBondContact O-N 2.69Å; Y1528-V1532 HydrophobicContact CD1-CG2 4.43Å; Y1528-V1532 HydrophobicContact CD2-CG2 4.37Å; Y1528-V1532 HydrophobicContact CE1-CG2 3.81Å; Y1528-V1532 HydrophobicContact CE2-CG2 3.74Å; Y1528-V1532 WeakPolarHBondContact O-CG2 3.12Å; Y1528-V1532 PolarHBondContact O-N 3.22Å; Y1528-V1532 WeakPolarHBondContact OH-CG2 3.48Å; Y1528-L1670 HydrophobicContact CD1-CD1 4.06Å; Y1528-Y1687 HydrophobicContact CD2-CD2 4.4Å; Y1528-Y1687 AromaticContact CD2-CE2 3.71Å; Y1528-Y1687 HydrophobicContact CD2-CE2 3.71Å; Y1528-Y1687 AromaticContact CD2-CZ 3.97Å; Y1528-Y1687 AromaticContact CG-CE2 3.91Å; Y1528-Y1687 HydrophobicContact CG-CE2 3.91Å; Y1528-L1690 HydrophobicContact CE1-CD1 4.44Å; Y1528-L1690 HydrophobicContact CE2-CB 4.02Å; Y1528-L1690 WeakPolarHBondContact OH-CB 3.37Å
1529Q68.5Low60.8Low67 Ų6770.5 Ų70.531%0.31337%0.371SS..Hα-helixtrans-63.3-39.7177.1-66.6-69-10.500111.4A1525 E1526 W1531 V1532 A1533 F1668A1525-Q1529 VanDerWaalsContact O-CG 3.27Å; A1525-Q1529 WeakPolarHBondContact O-CG 3.44Å; A1525-Q1529 PolarHBondContact O-N 3.23Å; E1526-Q1529 PolarHBondContact O-N 2.92Å; Q1529-W1531 VanDerWaalsContact C-N 3.33Å; Q1529-W1531 PolarHBondContact O-N 3.34Å; Q1529-V1532 PolarHBondContact O-N 3.16Å; Q1529-A1533 WeakPolarHBondContact O-CB 2.77Å; Q1529-A1533 PolarHBondContact O-N 3.31Å; Q1529-F1668 PolarHBondContact NE2-O 2.88Å; Q1529-F1668 VanDerWaalsContact NE2-O 3.12Å
1530T70.6Confident62.6Low66 Ų6667.9 Ų67.941%0.40537%0.365SS..Hα-helixtrans-60.4-41.4174.1-62.20000111.8E1526 Y1528 A1533 R1534E1526-T1530 VanDerWaalsContact O-CB 3.24Å; E1526-T1530 WeakPolarHBondContact O-CB 3.48Å; E1526-T1530 PolarHBondContact O-N 3.32Å; E1526-T1530 PolarHBondContact O-OG1 3.45Å; Y1528-T1530 VanDerWaalsContact C-N 3.33Å; Y1528-T1530 PolarHBondContact O-N 3.31Å; T1530-A1533 PolarHBondContact O-N 2.84Å; T1530-R1534 WeakPolarHBondContact O-CG 3.44Å; T1530-R1534 PolarHBondContact O-N 2.98Å
1531W68.9Low64.4Low50 Ų5065.5 Ų65.519%0.18936%0.363CS..Hα-helixtrans-66.3-45.2175.7179.479.5000112.2S1527 Y1528 Q1529 A1533 R1534 M1535 M1691 T1694 I1695S1527-W1531 WeakPolarHBondContact O-CB 3.45Å; S1527-W1531 PolarHBondContact O-N 2.9Å; Y1528-W1531 HydrophobicContact CD2-CE3 4.37Å; Y1528-W1531 HydrophobicContact CE2-CE3 4.23Å; Y1528-W1531 HydrophobicContact CE2-CZ3 4.3Å; Y1528-W1531 PolarHBondContact O-N 2.69Å; Q1529-W1531 VanDerWaalsContact C-N 3.33Å; Q1529-W1531 PolarHBondContact O-N 3.34Å; W1531-A1533 VanDerWaalsContact C-N 3.32Å; W1531-A1533 PolarHBondContact O-N 2.97Å; W1531-R1534 PolarHBondContact O-N 2.74Å; W1531-M1535 HydrophobicContact CD2-CG 4.15Å; W1531-M1535 HydrophobicContact CG-CG 4.47Å; W1531-M1535 HydrophobicContact CH2-CE 4.45Å; W1531-M1535 HydrophobicContact CZ2-CE 3.95Å; W1531-M1535 HydrophobicContact CZ2-CG 4.14Å; W1531-M1535 HydrophobicContact CZ2-SD 4.36Å; W1531-M1535 WeakPolarHBondContact O-CB 3.38Å; W1531-M1535 WeakPolarHBondContact O-CG 3.45Å; W1531-M1535 PolarHBondContact O-N 3.35Å; W1531-M1691 HydrophobicContact CH2-CB 4.15Å; W1531-M1691 HydrophobicContact CH2-CG 3.62Å; W1531-M1691 WeakPolarHBondContact CH2-O 3.42Å; W1531-M1691 HydrophobicContact CZ2-CG 3.96Å; W1531-M1691 HydrophobicContact CZ3-CB 4.38Å; W1531-M1691 HydrophobicContact CZ3-CG 4.19Å; W1531-T1694 HydrophobicContact CH2-CG2 4.29Å; W1531-T1694 HydrophobicContact CZ3-CG2 4.21Å; W1531-T1694 WeakPolarHBondContact CZ3-OG1 3.46Å; W1531-I1695 HydrophobicContact CH2-CG1 4.18Å; W1531-I1695 HydrophobicContact CZ2-CD1 4.4Å; W1531-I1695 HydrophobicContact CZ2-CG1 3.95Å
1532V70.5Confident66.1Low32 Ų3263.4 Ų63.419%0.19435%0.349CS..Hα-helixtrans-61.2-39.9174.6173.40000111.6Y1528 Q1529 S1536Y1528-V1532 HydrophobicContact CD1-CG2 4.43Å; Y1528-V1532 HydrophobicContact CD2-CG2 4.37Å; Y1528-V1532 HydrophobicContact CE1-CG2 3.81Å; Y1528-V1532 HydrophobicContact CE2-CG2 3.74Å; Y1528-V1532 WeakPolarHBondContact O-CG2 3.12Å; Y1528-V1532 PolarHBondContact O-N 3.22Å; Y1528-V1532 WeakPolarHBondContact OH-CG2 3.48Å; Q1529-V1532 PolarHBondContact O-N 3.16Å; V1532-S1536 WeakPolarHBondContact O-CB 3.36Å; V1532-S1536 PolarHBondContact O-N 3.02Å; V1532-S1536 PolarHBondContact O-OG 3.45Å
1533A70.8Confident67.5Low47 Ų4759.4 Ų59.439%0.38832%0.323SS..Hα-helixtrans-62.1-56176.400000111.5Q1529 T1530 W1531 M1535 S1536 E1537Q1529-A1533 WeakPolarHBondContact O-CB 2.77Å; Q1529-A1533 PolarHBondContact O-N 3.31Å; T1530-A1533 PolarHBondContact O-N 2.84Å; W1531-A1533 VanDerWaalsContact C-N 3.32Å; W1531-A1533 PolarHBondContact O-N 2.97Å; A1533-M1535 VanDerWaalsContact C-N 3.3Å; A1533-M1535 PolarHBondContact O-N 3.03Å; A1533-S1536 CarbonylContact O-C 3.47Å; A1533-S1536 WeakPolarHBondContact O-CA 3.38Å; A1533-S1536 WeakPolarHBondContact O-CB 3.49Å; A1533-S1536 PolarHBondContact O-N 3.27Å; A1533-E1537 WeakPolarHBondContact O-CG 3.48Å; A1533-E1537 PolarHBondContact O-N 2.84Å
1534R66.5Low68.5Low92 Ų9258.3 Ų58.335%0.34732%0.323SS..Hα-helixtrans-58.5-39.1178.2-70.7-173.8-176.2-158.43.8112.5T1530 W1531 S1536 E1537 L1538 L1807T1530-R1534 WeakPolarHBondContact O-CG 3.44Å; T1530-R1534 PolarHBondContact O-N 2.98Å; W1531-R1534 PolarHBondContact O-N 2.74Å; R1534-S1536 VanDerWaalsContact C-N 3.3Å; R1534-S1536 PolarHBondContact O-N 2.97Å; R1534-E1537 PolarHBondContact O-N 2.85Å; R1534-L1538 WeakPolarHBondContact O-CB 3.3Å; R1534-L1538 PolarHBondContact O-N 3.07Å; R1534-L1807 PolarHBondContact NH1-O 3.08Å; R1534-L1807 PolarHBondContact NH2-O 3.19Å
1535M65.2Low68.9Low24 Ų2457.9 Ų57.912%0.11832%0.32CS..Hα-helixtrans-65.9-32.5175.2-70.4-75.8-76.400112.4W1531 A1533 A1539 T1694 I1695 L1698W1531-M1535 HydrophobicContact CD2-CG 4.15Å; W1531-M1535 HydrophobicContact CG-CG 4.47Å; W1531-M1535 HydrophobicContact CH2-CE 4.45Å; W1531-M1535 HydrophobicContact CZ2-CE 3.95Å; W1531-M1535 HydrophobicContact CZ2-CG 4.14Å; W1531-M1535 HydrophobicContact CZ2-SD 4.36Å; W1531-M1535 WeakPolarHBondContact O-CB 3.38Å; W1531-M1535 WeakPolarHBondContact O-CG 3.45Å; W1531-M1535 PolarHBondContact O-N 3.35Å; A1533-M1535 VanDerWaalsContact C-N 3.3Å; A1533-M1535 PolarHBondContact O-N 3.03Å; M1535-A1539 WeakPolarHBondContact O-CB 3.39Å; M1535-A1539 PolarHBondContact O-N 3.42Å; M1535-A1539 VanDerWaalsContact O-N 3.16Å; M1535-T1694 HydrophobicContact CB-CG2 3.72Å; M1535-T1694 HydrophobicContact CE-CG2 4.2Å; M1535-T1694 HydrophobicContact CG-CG2 4.23Å; M1535-I1695 HydrophobicContact CE-CG1 4.36Å; M1535-L1698 HydrophobicContact CE-CB 3.8Å; M1535-L1698 HydrophobicContact CE-CD2 3.7Å; M1535-L1698 HydrophobicContact CE-CG 4.4Å; M1535-L1698 HydrophobicContact SD-CD2 3.76Å
1536S71.4Confident69.3Low36 Ų3656.1 Ų56.125%0.25231%0.306SS..Hα-helixtrans-75-41.3176.2-60.20000112.2V1532 A1533 R1534 A1539 Q1540V1532-S1536 WeakPolarHBondContact O-CB 3.36Å; V1532-S1536 PolarHBondContact O-N 3.02Å; V1532-S1536 PolarHBondContact O-OG 3.45Å; A1533-S1536 CarbonylContact O-C 3.47Å; A1533-S1536 WeakPolarHBondContact O-CA 3.38Å; A1533-S1536 WeakPolarHBondContact O-CB 3.49Å; A1533-S1536 PolarHBondContact O-N 3.27Å; R1534-S1536 VanDerWaalsContact C-N 3.3Å; R1534-S1536 PolarHBondContact O-N 2.97Å; S1536-A1539 PolarHBondContact O-N 3.34Å; S1536-Q1540 WeakPolarHBondContact O-CG 3.13Å; S1536-Q1540 PolarHBondContact O-N 3.15Å
1537E70.5Confident69.5Low127 Ų12756.4 Ų56.459%0.59330%0.304SS*.Hα-helixtrans-59.6-48.5173.4-70.2172.3161.900111.3A1533 R1534 A1539 Q1540 G1541A1533-E1537 WeakPolarHBondContact O-CG 3.48Å; A1533-E1537 PolarHBondContact O-N 2.84Å; R1534-E1537 PolarHBondContact O-N 2.85Å; E1537-A1539 VanDerWaalsContact C-N 3.3Å; E1537-A1539 PolarHBondContact O-N 2.89Å; E1537-Q1540 WeakPolarHBondContact O-CA 3.48Å; E1537-Q1540 WeakPolarHBondContact O-CB 3.47Å; E1537-Q1540 PolarHBondContact O-N 3.01Å; E1537-G1541 PolarHBondContact O-N 3.14Å
1538L71.3Confident69.1Low50 Ų5058.5 Ų58.526%0.26231%0.308SS..Hα-helixtrans-63.1-38.1178.5-164.1153.1000111.3R1534 Q1540 G1541 L1542 L1698R1534-L1538 WeakPolarHBondContact O-CB 3.3Å; R1534-L1538 PolarHBondContact O-N 3.07Å; L1538-Q1540 VanDerWaalsContact C-N 3.34Å; L1538-Q1540 PolarHBondContact O-N 3.37Å; L1538-G1541 PolarHBondContact O-N 3.23Å; L1538-L1542 HydrophobicContact CD2-CD1 3.88Å; L1538-L1542 HydrophobicContact CD2-CG 4.38Å; L1538-L1542 WeakPolarHBondContact O-CG 3.41Å; L1538-L1542 PolarHBondContact O-N 3.46Å; L1538-L1542 VanDerWaalsContact O-N 3.13Å; L1538-L1698 HydrophobicContact CD2-CD1 3.46Å; L1538-L1698 VanDerWaalsContact CD2-CD1 3.46Å; L1538-L1698 HydrophobicContact CD2-CD2 4.19Å; L1538-L1698 HydrophobicContact CD2-CG 4.48Å
1539A72.2Confident68.1Low0 Ų062.8 Ų62.80%034%0.337CS..Hα-helixtrans-64.8-33.4171.600000113.2M1535 S1536 E1537 N1543 Y1697 K1701M1535-A1539 WeakPolarHBondContact O-CB 3.39Å; M1535-A1539 PolarHBondContact O-N 3.42Å; M1535-A1539 VanDerWaalsContact O-N 3.16Å; S1536-A1539 PolarHBondContact O-N 3.34Å; E1537-A1539 VanDerWaalsContact C-N 3.3Å; E1537-A1539 PolarHBondContact O-N 2.89Å; A1539-N1543 PolarHBondContact O-N 2.98Å; A1539-N1543 PolarHBondContact O-ND2 2.94Å; A1539-Y1697 HydrophobicContact CB-CD1 4.33Å; A1539-Y1697 HydrophobicContact CB-CE1 3.52Å; A1539-K1701 HydrophobicContact CB-CG 4.15Å
1540Q71.5Confident67.2Low125 Ų12562.2 Ų62.258%0.58434%0.336SS*.Hα-helixtrans-69.9-45.3173.3-72179.14300111.8S1536 E1537 L1538 L1542 N1543 S1544S1536-Q1540 WeakPolarHBondContact O-CG 3.13Å; S1536-Q1540 PolarHBondContact O-N 3.15Å; E1537-Q1540 WeakPolarHBondContact O-CA 3.48Å; E1537-Q1540 WeakPolarHBondContact O-CB 3.47Å; E1537-Q1540 PolarHBondContact O-N 3.01Å; L1538-Q1540 VanDerWaalsContact C-N 3.34Å; L1538-Q1540 PolarHBondContact O-N 3.37Å; Q1540-L1542 VanDerWaalsContact C-N 3.31Å; Q1540-L1542 PolarHBondContact O-N 2.99Å; Q1540-N1543 WeakPolarHBondContact O-CA 3.5Å; Q1540-N1543 WeakPolarHBondContact O-CB 3.38Å; Q1540-N1543 PolarHBondContact O-N 3.4Å; Q1540-S1544 PolarHBondContact O-N 2.96Å; Q1540-S1544 PolarHBondContact O-OG 2.83Å
1541G75.8Confident65.6Low41 Ų4163 Ų6342%0.42333%0.334SS..Hα-helixtrans-55.4-43.9175.400000112.8E1537 L1538 N1543 S1544 L1545E1537-G1541 PolarHBondContact O-N 3.14Å; L1538-G1541 PolarHBondContact O-N 3.23Å; G1541-N1543 VanDerWaalsContact C-N 3.29Å; G1541-N1543 PolarHBondContact O-N 3.46Å; G1541-S1544 PolarHBondContact O-N 2.98Å; G1541-S1544 VanDerWaalsContact O-N 3.13Å; G1541-L1545 PolarHBondContact O-N 3.09Å
1542L72.7Confident64Low19 Ų1968.3 Ų68.310%0.09936%0.361CS..Hα-helixtrans-61.2-33.1172.8-69.9170.8000113.2L1538 Q1540 A1546 L1698 K1701 L1702 F1705L1538-L1542 HydrophobicContact CD2-CD1 3.88Å; L1538-L1542 HydrophobicContact CD2-CG 4.38Å; L1538-L1542 WeakPolarHBondContact O-CG 3.41Å; L1538-L1542 PolarHBondContact O-N 3.46Å; L1538-L1542 VanDerWaalsContact O-N 3.13Å; Q1540-L1542 VanDerWaalsContact C-N 3.31Å; Q1540-L1542 PolarHBondContact O-N 2.99Å; L1542-A1546 WeakPolarHBondContact O-CB 3.39Å; L1542-A1546 PolarHBondContact O-N 2.72Å; L1542-L1698 HydrophobicContact CD1-CD1 3.8Å; L1542-K1701 HydrophobicContact CD1-CB 4.24Å; L1542-L1702 HydrophobicContact CD1-CD2 3.61Å; L1542-L1702 HydrophobicContact CD1-CG 3.85Å; L1542-L1702 HydrophobicContact CD2-CD2 3.99Å; L1542-L1702 HydrophobicContact CG-CD2 4.47Å; L1542-F1705 HydrophobicContact CD2-CB 4.19Å; L1542-F1705 HydrophobicContact CD2-CD1 4.23Å; L1542-F1705 HydrophobicContact CD2-CD2 4.44Å; L1542-F1705 HydrophobicContact CD2-CG 4.01Å
1543N72.5Confident62Low42 Ų4272 Ų7223%0.22539%0.388CS..Hα-helixtrans-73-31.8174.6-68.1-52.8000112.4A1539 Q1540 G1541 K1547 K1701A1539-N1543 PolarHBondContact O-N 2.98Å; A1539-N1543 PolarHBondContact O-ND2 2.94Å; Q1540-N1543 WeakPolarHBondContact O-CA 3.5Å; Q1540-N1543 WeakPolarHBondContact O-CB 3.38Å; Q1540-N1543 PolarHBondContact O-N 3.4Å; G1541-N1543 VanDerWaalsContact C-N 3.29Å; G1541-N1543 PolarHBondContact O-N 3.46Å; N1543-K1547 WeakPolarHBondContact O-CG 3.42Å; N1543-K1701 WeakPolarHBondContact OD1-CD 3.49Å; N1543-K1701 PolarHBondContact OD1-NZ 3.08Å
1544S70Confident60.1Low65 Ų6577.9 Ų77.946%0.45541%0.413SS..Hα-helixtrans-73.7-49.8177.6-63.30000111.8Q1540 G1541 A1546 K1547 E1548Q1540-S1544 PolarHBondContact O-N 2.96Å; Q1540-S1544 PolarHBondContact O-OG 2.83Å; G1541-S1544 PolarHBondContact O-N 2.98Å; G1541-S1544 VanDerWaalsContact O-N 3.13Å; S1544-A1546 PolarHBondContact O-N 2.94Å; S1544-A1546 VanDerWaalsContact O-N 3.16Å; S1544-K1547 WeakPolarHBondContact O-CA 3.34Å; S1544-K1547 WeakPolarHBondContact O-CB 3.43Å; S1544-K1547 PolarHBondContact O-N 2.8Å; S1544-E1548 PolarHBondContact O-N 3.05Å
1545L67.1Low58.4Low76 Ų7676.9 Ų76.940%0.39843%0.431SS..Hα-helixtrans-62.2-25175.8-163.665.5000112.1G1541 K1547 F1705 R1712G1541-L1545 PolarHBondContact O-N 3.09Å; L1545-K1547 VanDerWaalsContact C-N 3.33Å; L1545-F1705 HydrophobicContact CB-CD2 4.48Å; L1545-F1705 HydrophobicContact CB-CE2 3.8Å; L1545-F1705 HydrophobicContact CD2-CE2 3.67Å; L1545-F1705 HydrophobicContact CD2-CZ 3.55Å; L1545-F1705 HydrophobicContact CG-CE2 3.63Å; L1545-F1705 HydrophobicContact CG-CZ 3.95Å; L1545-R1712 PolarHBondContact O-NH1 3.01Å
1546A67.9Low56.7Low9 Ų981 Ų817%0.07446%0.463CS..THydrogen-bonded Turntrans-75.8-9170.800000115.4L1542 S1544 F1705 K1708 R1712L1542-A1546 WeakPolarHBondContact O-CB 3.39Å; L1542-A1546 PolarHBondContact O-N 2.72Å; S1544-A1546 PolarHBondContact O-N 2.94Å; S1544-A1546 VanDerWaalsContact O-N 3.16Å; A1546-F1705 HydrophobicContact CB-CD2 4.11Å; A1546-K1708 HydrophobicContact CB-CD 3.72Å; A1546-R1712 PolarHBondContact O-NH2 3.43Å
1547K67.4Low54.6Low159 Ų15985.8 Ų85.869%0.69149%0.494SS*.THydrogen-bonded Turntrans-102.3-44.6-179.9-75.9171.4179-179.50112.5N1543 S1544 L1545 R1712N1543-K1547 WeakPolarHBondContact O-CG 3.42Å; S1544-K1547 WeakPolarHBondContact O-CA 3.34Å; S1544-K1547 WeakPolarHBondContact O-CB 3.43Å; S1544-K1547 PolarHBondContact O-N 2.8Å; L1545-K1547 VanDerWaalsContact C-N 3.33Å; K1547-R1712 VanDerWaalsContact C-NH2 3.32Å; K1547-R1712 PolarHBondContact O-NH2 3.32Å
1548E56.9Low52.9Low94 Ų9485.1 Ų85.144%0.43950%0.504SS..SBendtrans-57.4138.8-173.8-66.6-179.6162.100113S1544 R1712S1544-E1548 PolarHBondContact O-N 3.05Å; E1548-R1712 PolarHBondContact O-NH1 2.89Å; E1548-R1712 PolarHBondContact O-NH2 3.28Å
1549P41.6Very low51Low97 Ų9791.5 Ų91.563%0.6353%0.532SS*.  trans-73.4129.4178.930.5-33.7000110.9F1551P1549-F1551 PolarHBondContact O-N 2.61Å; P1549-F1551 VanDerWaalsContact O-N 3.12Å
1550L49.8Very low49.1Very low55 Ų55100 Ų10029%0.28857%0.572SS.*SBendtrans-69.6-9.4-176.6-141.4145.1000113.4A1751L1550-A1751 HydrophobicContact CD2-CB 4.32Å
1551F38Very low47.3Very low82 Ų82102.1 Ų102.136%0.3659%0.587SS.*SBendtrans-142.9130.7169.8-63.7-71.4000108.5P1549 N1716P1549-F1551 PolarHBondContact O-N 2.61Å; P1549-F1551 VanDerWaalsContact O-N 3.12Å; F1551-N1716 HydrophobicContact CE2-CB 4.43Å; F1551-N1716 WeakPolarHBondContact CE2-ND2 3.39Å
1552Q34.3Very low45.4Very low163 Ų163108.9 Ų108.976%0.76261%0.605SS**  trans-77117.8158-67.4-175.5700107.3
1553S29.6Very low43.6Very low109 Ų109115.8 Ų115.876%0.76264%0.642SS**  trans-90.3110.517456.60000109.5G1555S1553-G1555 PolarHBondContact O-N 3.17Å
1554D30Very low41.6Very low171 Ų171122.5 Ų122.591%0.91467%0.672SS**  trans-65.279.8171.7-71-30.6000110.5
1555G31.8Very low39.5Very low70 Ų70128.2 Ų128.272%0.72269%0.689SS**  trans-143.929.8-167.600000113.1S1553S1553-G1555 PolarHBondContact O-N 3.17Å
1556S28.2Very low37.9Very low112 Ų112132.5 Ų132.578%0.78371%0.707SS**  trans-126.790.8178.6-173.50000111
1557C28.6Very low36.2Very low136 Ų136136.6 Ų136.692%0.91973%0.733SS**  trans-131.6121.2158.8-79.20000106.9
1558S33.1Very low34.5Very low113 Ų113135.9 Ų135.979%0.7974%0.735SS**  trans-85.1124.3-160.742.90000113.9E1560S1558-E1560 PolarHBondContact O-N 3.45Å
1559E31.4Very low33.3Very low183 Ų183137.7 Ų137.786%0.85575%0.748SS**  trans-80.385.2150.2-79.3-156.9107.700109.3
1560E33Very low32.8Very low179 Ų179144 Ų14484%0.83676%0.759SS**  trans-171.686.4147.1-110.6169.4-152.300111.8S1558S1558-E1560 PolarHBondContact O-N 3.45Å
1561N34.6Very low32Very low170 Ų170148.7 Ų148.791%0.90978%0.784SS**  trans-155.287.9156.5-122-28.6000110
1562K34.3Very low31.6Very low183 Ų183155.1 Ų155.180%0.79681%0.807SS**  trans-117.4100.1175.4-73.1173.1-177.6157.30108.9
1563N36.1Very low31.7Very low163 Ų163152.9 Ų152.987%0.87281%0.807SS**  trans-174.3164.7145.6-94.3-23000112.4
1564E30Very low31.9Very low183 Ų183153.9 Ų153.986%0.85580%0.804SS**  trans65.294.2168.6-143.483.9-114.800118.1
1565F26.9Very low32.1Very low185 Ų185151.6 Ų151.681%0.81180%0.795SS**  trans-82.7140.9161.7-91.2-114.7000111.2
1566Q32.8Very low32.2Very low166 Ų166156.9 Ų156.978%0.77680%0.798SS**  trans-147.8101.3145.8-90.9-59.1-18.900111.2
1567P31.3Very low32.3Very low95 Ų95156.7 Ų156.762%0.61779%0.793SS**  trans-98.7126.217934.7-29.6000112.7
1568I33.4Very low32.6Very low144 Ų144158.2 Ų158.274%0.73879%0.79SS**  trans-127.496-179.9-56.2-175.8000112.6
1569N30.1Very low32.5Very low133 Ų133159.5 Ų159.571%0.71179%0.788SS**  32.2101.7129.9-70.9-49.5000117.4
1570R31.7Very low32.8Very low228 Ų228157.8 Ų157.886%0.8678%0.784SS**  165.8159.485.1-86146.6179.9-161.41.4107.4
1571L32.7Very low32.9Very low154 Ų154155.3 Ų155.381%0.80678%0.784SS**  cis-154.7143.50.6-119.7158.7000108
1572Y30.1Very low32.7Very low217 Ų217154 Ų15485%0.85178%0.776SS**  trans-94.2153.2175.8-116.7-89.7000111.8
1573P36.9Very low32.6Very low116 Ų116152.2 Ų152.275%0.75377%0.774SS**  trans-142.6162.1131.138.3-26.2000113.2
1574D32.5Very low32.4Very low131 Ų131150.7 Ų150.770%0.70177%0.765SS**  cis-162157.9-28.7-176.124.8000107
1575V34.8Very low32.5Very low122 Ų122148.7 Ų148.774%0.73976%0.76SS**  trans-119.7127-170.8-178.80000112.4
1576K33.9Very low32.8Very low181 Ų181146.3 Ų146.379%0.78776%0.756SS**  trans-13394171.6-73.8-172.6177170.30115
1577T29.8Very low32.6Very low108 Ų108145.2 Ų145.266%0.66376%0.755SS**  26.2128.7127.8-23.50000120
1578I35.7Very low32.7Very low168 Ų168148.4 Ų148.486%0.86276%0.762SS**  trans-152.4144.9136-95.4138.7000110.3
1579N31.7Very low32.5Very low140 Ų140147.6 Ų147.675%0.74976%0.763SS**  trans-66.7162.5-159.7-54.7-62.1000119
1580L36.6Very low32.7Very low147 Ų147148.7 Ų148.777%0.7777%0.766SS**  trans-75.1168.3160.7-62.483.2000112.2
1581P34.9Very low32.7Very low128 Ų128143.3 Ų143.383%0.83176%0.761SS**  trans-111.9135.6136.734.4-27.9000112.5
1582L30.4Very low32.6Very low141 Ų141141.8 Ų141.874%0.73876%0.758SS**  trans-90.7172.6167-73.5128.3000110.9
1583I31.7Very low33.1Very low147 Ų147138.7 Ų138.775%0.75476%0.755SS**  150.6129.4125.5-78.6169.5000114.4
1584N33.4Very low33.1Very low131 Ų131138.6 Ų138.670%0.70176%0.755SS**  trans61.2100.4158.3-64-1.3000122.8
1585D30.4Very low32.9Very low140 Ų140139.3 Ų139.375%0.74976%0.758SS**  31.3128.9102-56.8-12.2000120.7
1586N33.2Very low32.5Very low136 Ų136138 Ų13873%0.72776%0.755SS**  -170.9138101.9-102.5-75.4000114
1587L30.4Very low32.3Very low143 Ų143135.4 Ų135.475%0.74975%0.754SS**  trans18.5132.1145.1-65.4162.4000118.5
1588Q31.6Very low32.5Very low162 Ų162136.6 Ų136.676%0.75776%0.762SS**  -176.6147.761.2-137.416438.100114.8
1589T30.9Very low32.4Very low126 Ų126135.6 Ų135.677%0.77376%0.758SS**  trans61.5129.3151.940.20000124
1590M33Very low32.7Very low157 Ų157134.4 Ų134.477%0.77376%0.758SS**  trans-75164.4155.9-59.1-101.379.300111.4
1591P33.1Very low32.4Very low115 Ų115130.3 Ų130.375%0.74775%0.752SS**  -126.6150.584.911.110.5000112.4
1592T30.4Very low32.4Very low122 Ų122132.3 Ų132.375%0.74875%0.754SS**  77.7125.453.5-46.20000113.6
1593L39.7Very low32.3Very low151 Ų151130.2 Ų130.279%0.79175%0.752SS**  trans-67.8168.8-177.1-64.6160000113.5
1594P36.4Very low32.1Very low114 Ų114131.4 Ų131.474%0.7475%0.754SS**  trans-118135.7134.234.6-30.3000113.5
1595D28.2Very low32Very low146 Ų146133 Ų13378%0.78176%0.761SS**  trans-78.6151-176.5-110.1-54.7000115.5
1596S27.6Very low32Very low94 Ų94131.2 Ų131.266%0.65775%0.754SS**  69.1154.4127.8-156.40000123.4
1597T29.4Very low31.8Very low127 Ų127133.3 Ų133.378%0.77976%0.76SS**  trans62.5134171.964.80000116.7
1598T34.3Very low31.9Very low134 Ų134132.5 Ų132.582%0.82277%0.765SS**  cis-149.9149.730.3-460000112.2
1599D32.6Very low31.7Very low146 Ų146129.5 Ų129.578%0.78176%0.762SS**  trans-66.6-177.7170.5-139.426.8000112.2
1600P38.8Very low31.6Very low115 Ų115127.4 Ų127.475%0.74776%0.757SS**  cis-139.4174.60.543.1-26000117.6
1601G30.5Very low31.4Very low62 Ų62130 Ų13064%0.63977%0.765SS**  trans138.5134.3138.200000118.3
1602L33.8Very low31.3Very low169 Ų169129.6 Ų129.689%0.88576%0.76SS**  trans66.596.2169.9-47.5179.9000114.7
1603S28Very low31.4Very low98 Ų98130 Ų13069%0.68576%0.763SS**  cis81.3135.627.2930000117.2
1604E29.1Very low31.1Very low172 Ų172128.8 Ų128.880%0.80476%0.764SS**  trans76.2166.5172.2-64.1-174.2116.300119.5
1605I31.3Very low31.1Very low165 Ų165129.4 Ų129.485%0.84676%0.76SS**  trans66.786.4-161-45.1174.8000111.6
1606V30.2Very low31.4Very low101 Ų101127.3 Ų127.361%0.61275%0.754SS**  cis64.1111.619.6-175.60000114.2
1607E28.7Very low31.6Very low181 Ų181131.9 Ų131.985%0.84677%0.765SS**  trans31.8125.3150.7-57178.2132.700120.7
1608C32.2Very low31.8Very low126 Ų126136.3 Ų136.385%0.85177%0.767SS**  trans-15357.1146-138.30000112.3A1610C1608-A1610 PolarHBondContact O-N 2.98Å; C1608-A1610 VanDerWaalsContact O-N 3.14Å
1609S28.3Very low31.8Very low99 Ų99135.5 Ų135.569%0.69276%0.762SS**  trans-73.698.1166.7-175.30000109.3F1611S1609-F1611 PolarHBondContact O-N 3.26Å; S1609-F1611 VanDerWaalsContact O-N 3.16Å
1610A28.5Very low31.7Very low81 Ų81137 Ų13767%0.66977%0.769SS**THydrogen-bonded Turntrans-90.852.1-167.100000114.2C1608C1608-A1610 PolarHBondContact O-N 2.98Å; C1608-A1610 VanDerWaalsContact O-N 3.14Å
1611F27.7Very low31.3Very low213 Ų213139.5 Ų139.593%0.93477%0.771SS**THydrogen-bonded Turntrans-161.446159.8-95.4-56.4000113.8S1609S1609-F1611 PolarHBondContact O-N 3.26Å; S1609-F1611 VanDerWaalsContact O-N 3.16Å
1612T31.8Very low31.4Very low106 Ų106143 Ų14365%0.6578%0.781SS**  trans-150.2130.6163.4170.30000110.4
1613T32.9Very low31.3Very low131 Ų131143.8 Ų143.880%0.80478%0.782SS**  trans-94.2113.6173.545.60000108.9L1615T1613-L1615 PolarHBondContact O-N 3.26Å
1614P33.1Very low31.2Very low125 Ų125147.7 Ų147.781%0.81279%0.794SS**  trans-71131.4-174.427.5-34.2000112.1
1615L35.4Very low31.1Very low127 Ų127145 Ų14567%0.66579%0.794SS**  trans-79.5143.5171.2-74.9167.6000111T1613 H1617T1613-L1615 PolarHBondContact O-N 3.26Å; L1615-H1617 PolarHBondContact O-N 3.43Å
1616P35.8Very low31.2Very low101 Ų101144.1 Ų144.166%0.65680%0.796SS**  trans-83.8106.9-177.132.4-33.2000112.4R1618P1616-R1618 PolarHBondContact O-N 3.1Å
1617H32.3Very low31.2Very low191 Ų191143.5 Ų143.588%0.88480%0.802SS**  trans-49.2131.8172.7-93.2-95.7000113.4L1615L1615-H1617 PolarHBondContact O-N 3.43Å
1618R33Very low31.3Very low220 Ų220140.8 Ų140.883%0.8380%0.8SS**  trans-135.8137.5154.9-74.9-166.8176151.19.1110.7P1616P1616-R1618 PolarHBondContact O-N 3.1Å
1619T33.6Very low31.3Very low116 Ų116142.9 Ų142.971%0.71280%0.797SS**  trans-84.6137.3-169-38.80000112.5E1621T1619-E1621 HydrophobicContact CG2-CG 4.08Å; T1619-E1621 PolarHBondContact O-N 3.16Å
1620L30.4Very low31.3Very low178 Ų178144 Ų14493%0.93280%0.795SS**  trans-94.173.8179.6-73.6168.5000112.1
1621E30.8Very low31.4Very low167 Ų167147 Ų14778%0.7880%0.8SS**  trans-131.838.5-178.7-72.9-170.9148.900113.8T1619T1619-E1621 HydrophobicContact CG2-CG 4.08Å; T1619-E1621 PolarHBondContact O-N 3.16Å
1622T32.1Very low31.3Very low137 Ų137140.7 Ų140.784%0.8478%0.782SS**SBendtrans-149.320.6-179.5-270000116.5
1623M31.6Very low31.2Very low184 Ų184141.3 Ų141.391%0.90678%0.781SS**SBendtrans-129.65.5175.7-67.2-164.170.900115.7
1624L27.2Very low31Very low180 Ų180144.7 Ų144.794%0.94278%0.781SS**SBendtrans-11155.5176.6-70.9174000112.5
1625S26.5Very low30.8Very low117 Ų117145.4 Ų145.482%0.81877%0.773SS**  trans-15866.5169.6-149.40000115.2
1626V33Very low30.6Very low145 Ų145146.9 Ų146.988%0.87977%0.774SS**  trans-139.9112.4151.1-177.90000107.5
1627A30Very low30.1Very low89 Ų89150.5 Ų150.574%0.73678%0.78SS**  trans-85.1146.5175.300000110.9
1628P31.9Very low30Very low124 Ų124147.7 Ų147.781%0.80578%0.778SS**  trans-91.7125.7-179.233.8-31.2000111.9
1629E32.4Very low29.7Very low169 Ų169144 Ų14479%0.7977%0.774SS**  trans-138.8127.4170.5-88.5-155.7-164.800115.1
1630N28.7Very low29.6Very low122 Ų122145.2 Ų145.265%0.65278%0.777SS**  trans84.8127.8133.1-83-46.4000124.1
1631L28.6Very low29.6Very low146 Ų146142.6 Ų142.676%0.76476%0.763SS**  trans79.785.6142.2-63.7167.4000121.4
1632S25.9Very low29.5Very low80 Ų80140.7 Ų140.756%0.55976%0.764SS**  46.1131.911466.20000121.2
1633N29.7Very low29.6Very low119 Ų119143.9 Ų143.964%0.63677%0.766SS**  178162.396.3-92.1-59.2000114
1634Y30Very low29.5Very low202 Ų202144.2 Ų144.279%0.79276%0.762SS**  trans71.4142.2162.5-56.4-58.5000121.5
1635Q29.3Very low29.4Very low140 Ų140143 Ų14365%0.65476%0.756SS**  177.9131.6-58.8167.1178.6-61.500112.1
1636K30Very low29.5Very low157 Ų157143.6 Ų143.668%0.68375%0.75SS**  trans67.5117.1160.6-72.8175.6-176.3176.60117.4
1637F25.3Very low29.3Very low177 Ų177143.6 Ų143.678%0.77674%0.744SS**  88.8147.376.8-79-19.3000113.1
1638P29.8Very low29.3Very low132 Ų132145.4 Ų145.486%0.85775%0.748SS**  -122170.851.340.7-29.8000117.8
1639L26.9Very low29Very low143 Ų143144.9 Ų144.975%0.74974%0.743SS**  trans-122.9143.4-178.7-165.285.4000109.2
1640N31Very low28.8Very low142 Ų142144 Ų14476%0.75975%0.749SS**  trans-166.6133.5163.3-88.7-30.7000106.8
1641N31.2Very low28.9Very low122 Ų122146 Ų14665%0.65275%0.754SS**  cis-153.1151.5-12.4-98.6-38.2000109.5
1642T28.8Very low28.9Very low128 Ų128147.1 Ų147.179%0.78576%0.761SS**  trans46.8126.5157.155.80000119.5
1643K33.3Very low29.1Very low204 Ų204147.1 Ų147.189%0.88777%0.774SS**  cis-140.7161.318.4-58.8176.5-177.3173.80110.5
1644K29.3Very low29Very low191 Ų191152 Ų15283%0.8378%0.783SS**  trans-88.8145.3171.3-56.5178.2178.4-179.40110.2
1645L26.9Very low28.9Very low155 Ų155149.7 Ų149.781%0.81278%0.784SS**  177.6159.699.3-111.354.8000106.3
1646N28.1Very low29Very low129 Ų129152 Ų15269%0.6980%0.795SS**  cis-163.7164.3-26.1-126.951.4000108.3
1647L27.7Very low29.1Very low144 Ų144153.4 Ų153.475%0.75480%0.801SS**  trans-129.1148.8169.4-86.477.3000110.6
1648P29.7Very low29.1Very low127 Ų127154.3 Ų154.383%0.82581%0.806SS**  trans-72.2128.9158.331.3-31.2000109.5
1649T25.7Very low29.1Very low113 Ų113152.9 Ų152.969%0.69379%0.794SS**  trans-108.1118.2176.1-55.20000108.8Q1651T1649-Q1651 HydrophobicContact CG2-CB 4.31Å
1650V29.7Very low29.3Very low151 Ų151152.4 Ų152.492%0.91579%0.792SS**  trans-101.2127.6163.7-179.70000107.6
1651Q29.4Very low29.2Very low163 Ų163155 Ų15576%0.76280%0.797SS**  trans-134111.8-165.7-174.2174.2-6.300109.9T1649T1649-Q1651 HydrophobicContact CG2-CB 4.31Å
1652N29.1Very low29.1Very low171 Ų171155.8 Ų155.891%0.91480%0.8SS**  trans22.789.4170.2-63.32.3000117.3
1653G29.7Very low29.3Very low80 Ų80156.7 Ų156.783%0.82580%0.8SS**  trans-112.5162.7164.200000111.9
1654R27.5Very low29.2Very low222 Ų222150.5 Ų150.584%0.83878%0.782SS**  trans-82.7150.8-175.8-86.8-174.5178.5120.5-3.7113.8
1655D27.6Very low29.4Very low152 Ų152147 Ų14781%0.81378%0.779SS**  trans57.560.8144.6-48.8-22.8000119.2
1656E32.8Very low29.5Very low188 Ų188147.5 Ų147.588%0.87978%0.777SS**  trans-117.5154.2168.3-66.7-166.7160.700113.8
1657K31.8Very low29.6Very low187 Ų187145.1 Ų145.181%0.81377%0.77SS**  trans-83138.8-170.8-67.1174.5-179.3170.70112.2T1659K1657-T1659 VanDerWaalsContact C-N 3.25Å; K1657-T1659 PolarHBondContact O-N 3.34Å
1658F25.7Very low29.8Very low197 Ų197145.2 Ų145.286%0.86477%0.765SS**  trans-72.178165.5-91.1-90.9000111.6
1659T29.3Very low29.9Very low101 Ų101147.6 Ų147.662%0.6277%0.765SS**  trans-128.6150.4162.140.10000108.9K1657K1657-T1659 VanDerWaalsContact C-N 3.25Å; K1657-T1659 PolarHBondContact O-N 3.34Å
1660D30.9Very low30.5Very low133 Ų133144.5 Ų144.571%0.71174%0.744SS**  trans67.267.7174.1-49.5-31.2000116.3I1662D1660-I1662 HydrophobicContact CB-CG1 4.29Å; D1660-I1662 PolarHBondContact O-N 3.47Å; D1660-I1662 VanDerWaalsContact O-N 3.09Å
1661F28.5Very low30.7Very low196 Ų196140.9 Ų140.986%0.8673%0.726SS**  trans-66.999148.5-111.1-86.3000108.4L1663F1661-L1663 PolarHBondContact O-N 2.74Å
1662I29.5Very low31Very low139 Ų139138.9 Ų138.971%0.71373%0.73SS**  trans-75.888.4-176.6-59.6172.3000109.8D1660 S1664D1660-I1662 HydrophobicContact CB-CG1 4.29Å; D1660-I1662 PolarHBondContact O-N 3.47Å; D1660-I1662 VanDerWaalsContact O-N 3.09Å; I1662-S1664 PolarHBondContact O-N 3.48Å
1663L33.4Very low31.3Very low148 Ų148137.2 Ų137.278%0.77572%0.721SS**  trans-74.890.8141.7-75.6177.7000106.6F1661F1661-L1663 PolarHBondContact O-N 2.74Å
1664S31.4Very low31.7Very low73 Ų73136.4 Ų136.451%0.5170%0.695SS.*  trans-59.6140.4171.7-1710000108.7I1662 Q1666I1662-S1664 PolarHBondContact O-N 3.48Å; S1664-Q1666 PolarHBondContact O-N 3.27Å
1665P31.9Very low32.7Very low119 Ų119130.1 Ų130.177%0.77368%0.677SS**  trans-74.847.2174.434.5-37.1000111.2S1667P1665-S1667 PolarHBondContact O-N 2.92Å
1666Q30.5Very low33.4Very low164 Ų164126 Ų12677%0.76666%0.659SS**  trans-78.7101.1169.6-167.8162.122.200106.5S1664 F1668S1664-Q1666 PolarHBondContact O-N 3.27Å; Q1666-F1668 PolarHBondContact O-N 2.91Å
1667S30.4Very low34Very low79 Ų79123.1 Ų123.155%0.55265%0.65SS**  trans-53.9128.7-175.138.50000111P1665 Q1669P1665-S1667 PolarHBondContact O-N 2.92Å; S1667-Q1669 VanDerWaalsContact C-N 3.31Å; S1667-Q1669 PolarHBondContact O-N 3.14Å
1668F30.8Very low34.6Very low146 Ų146116.5 Ų116.564%0.6463%0.627SS**  trans-63.698.9163.8-71.8-79.1000107.3Q1529 Q1666 L1670 L1690Q1529-F1668 PolarHBondContact NE2-O 2.88Å; Q1529-F1668 VanDerWaalsContact NE2-O 3.12Å; Q1666-F1668 PolarHBondContact O-N 2.91Å; F1668-L1670 VanDerWaalsContact C-N 3.33Å; F1668-L1670 PolarHBondContact O-N 3.11Å; F1668-L1690 HydrophobicContact CD2-CD2 3.99Å; F1668-L1690 HydrophobicContact CE2-CD2 4.08Å
1669Q31.8Very low35.3Very low178 Ų178112.3 Ų112.383%0.83262%0.622SS**  trans-66.397.8165.9-72.7-173.8-2100107.2S1667 S1671S1667-Q1669 VanDerWaalsContact C-N 3.31Å; S1667-Q1669 PolarHBondContact O-N 3.14Å; Q1669-S1671 PolarHBondContact O-N 3.18Å
1670L39.3Very low36.2Very low47 Ų47111 Ų11125%0.24661%0.611CS.*  trans-54133.5158.4-63.7172.4000106.9A1525 Y1528 F1668 F1674A1525-L1670 HydrophobicContact CB-CD1 4.01Å; Y1528-L1670 HydrophobicContact CD1-CD1 4.06Å; F1668-L1670 VanDerWaalsContact C-N 3.33Å; F1668-L1670 PolarHBondContact O-N 3.11Å; L1670-F1674 HydrophobicContact CD2-CD2 4.38Å; L1670-F1674 HydrophobicContact CD2-CE2 4.39Å
1671S33.3Very low37Very low76 Ų76108.6 Ų108.653%0.53160%0.603SS.*  trans-60.3146.8-17945.80000110.2Q1669 N1673 F1674Q1669-S1671 PolarHBondContact O-N 3.18Å; S1671-N1673 PolarHBondContact O-N 2.84Å; S1671-F1674 WeakPolarHBondContact O-CB 3.38Å; S1671-F1674 PolarHBondContact O-N 3.12Å
1672S36.5Very low38.6Very low121 Ų121104.1 Ų104.185%0.84659%0.588SS**THydrogen-bonded Turntrans-60.4-4.1176.255.70000114.7
1673N35.1Very low39.8Very low136 Ų136100 Ų10073%0.72757%0.566SS**THydrogen-bonded Turntrans-113.821.1-178.1-5514.1000110.9S1671 D1675S1671-N1673 PolarHBondContact O-N 2.84Å; N1673-D1675 PolarHBondContact O-N 3.32Å; N1673-D1675 VanDerWaalsContact O-N 3.1Å
1674F38.1Very low40.9Very low63 Ų6395.7 Ų95.728%0.27655%0.548SS..  trans-72.797.2175.5-167.4-89.8000109.4L1670 S1671 E1683L1670-F1674 HydrophobicContact CD2-CD2 4.38Å; L1670-F1674 HydrophobicContact CD2-CE2 4.39Å; S1671-F1674 WeakPolarHBondContact O-CB 3.38Å; S1671-F1674 PolarHBondContact O-N 3.12Å; F1674-E1683 HydrophobicContact CE2-CB 4.24Å; F1674-E1683 HydrophobicContact CZ-CB 4.36Å
1675D47.2Very low42.6Very low89 Ų8994.5 Ų94.548%0.47654%0.543SS..  trans-92.3112.5-179.8-179.5-5.6000109.3N1673 D1677 S1678N1673-D1675 PolarHBondContact O-N 3.32Å; N1673-D1675 VanDerWaalsContact O-N 3.1Å; D1675-D1677 PolarHBondContact O-N 3.15Å; D1675-D1677 PolarHBondContact OD1-N 3.03Å; D1675-S1678 WeakPolarHBondContact O-CB 3.47Å; D1675-S1678 PolarHBondContact O-N 2.98Å
1676P42.9Very low44.6Very low67 Ų6793.3 Ų93.344%0.43553%0.529SS..THydrogen-bonded Turntrans-71-12.9-178.830-35.3000114.1S1678P1676-S1678 VanDerWaalsContact C-N 3.33Å
1677D46.1Very low46.1Very low127 Ų12787.4 Ų87.468%0.67950%0.5SS*.THydrogen-bonded Turntrans-87.6-4.4170.1-71-39.6000112.2D1675 S1679D1675-D1677 PolarHBondContact O-N 3.15Å; D1675-D1677 PolarHBondContact OD1-N 3.03Å; D1677-S1679 PolarHBondContact O-N 2.92Å; D1677-S1679 VanDerWaalsContact O-N 3.09Å; D1677-S1679 PolarHBondContact O-OG 2.88Å
1678S44.8Very low48Very low48 Ų4889.3 Ų89.334%0.33650%0.496SS..  trans-53.1114.9167.4175.80000110D1675 P1676 D1680 E1683D1675-S1678 WeakPolarHBondContact O-CB 3.47Å; D1675-S1678 PolarHBondContact O-N 2.98Å; P1676-S1678 VanDerWaalsContact C-N 3.33Å; S1678-D1680 PolarHBondContact O-N 3.37Å; S1678-E1683 WeakPolarHBondContact CB-OE2 3.45Å; S1678-E1683 PolarHBondContact OG-OE2 3.43Å
1679S40.1Very low50.2Low109 Ų10985.6 Ų85.676%0.76249%0.488SS*.  trans-8019.6-173.5-51.30000113.9D1677 P1681D1677-S1679 PolarHBondContact O-N 2.92Å; D1677-S1679 VanDerWaalsContact O-N 3.09Å; D1677-S1679 PolarHBondContact O-OG 2.88Å; S1679-P1681 WeakPolarHBondContact O-CD 3.14Å
1680D48.6Very low52.3Low72 Ų7278.3 Ų78.339%0.38546%0.455SS..  trans-81.6115.9-179.1-166.4-33.3000111S1678 N1682 E1683S1678-D1680 PolarHBondContact O-N 3.37Å; D1680-N1682 PolarHBondContact O-N 3.49Å; D1680-N1682 WeakPolarHBondContact OD1-CB 3.47Å; D1680-N1682 VanDerWaalsContact OD1-CG 3.27Å; D1680-N1682 PolarHBondContact OD1-N 3.25Å; D1680-N1682 PolarHBondContact OD1-ND2 3.08Å; D1680-E1683 HydrophobicContact CB-CG 4.48Å; D1680-E1683 PolarHBondContact O-N 3.09Å
1681P47.6Very low53.8Low83 Ų8377.3 Ų77.354%0.53945%0.449SS..Hα-helixtrans-61-19.2179.326.5-35.9000113.8S1679 S1684 A1685S1679-P1681 WeakPolarHBondContact O-CD 3.14Å; P1681-S1684 PolarHBondContact O-OG 3.22Å; P1681-A1685 PolarHBondContact O-N 2.84Å
1682N61.1Low56Low103 Ų10377.4 Ų77.455%0.55145%0.446SS*.Hα-helixtrans-65.7-35178.3-64.2-61.5000112.7D1680 A1685 I1686D1680-N1682 PolarHBondContact O-N 3.49Å; D1680-N1682 WeakPolarHBondContact OD1-CB 3.47Å; D1680-N1682 VanDerWaalsContact OD1-CG 3.27Å; D1680-N1682 PolarHBondContact OD1-N 3.25Å; D1680-N1682 PolarHBondContact OD1-ND2 3.08Å; N1682-A1685 WeakPolarHBondContact O-CB 3.16Å; N1682-A1685 PolarHBondContact O-N 2.86Å; N1682-I1686 WeakPolarHBondContact O-CG1 3.36Å; N1682-I1686 PolarHBondContact O-N 3Å
1683E55.5Low57.8Low52 Ų5275.2 Ų75.224%0.24343%0.425CS..Hα-helixtrans-71.6-41-175.2-62.1-172.3114.400111.2F1674 S1678 D1680 A1685 I1686 Y1687F1674-E1683 HydrophobicContact CE2-CB 4.24Å; F1674-E1683 HydrophobicContact CZ-CB 4.36Å; S1678-E1683 WeakPolarHBondContact CB-OE2 3.45Å; S1678-E1683 PolarHBondContact OG-OE2 3.43Å; D1680-E1683 HydrophobicContact CB-CG 4.48Å; D1680-E1683 PolarHBondContact O-N 3.09Å; E1683-A1685 VanDerWaalsContact C-N 3.26Å; E1683-A1685 PolarHBondContact O-N 2.84Å; E1683-I1686 PolarHBondContact O-N 3.45Å; E1683-Y1687 PolarHBondContact O-N 3.12Å
1684S55.6Low59.6Low57 Ų5769.7 Ų69.740%0.39940%0.396SS..Hα-helixtrans-60.9-33.4170.776.40000113.1P1681 Y1687 Y1688P1681-S1684 PolarHBondContact O-OG 3.22Å; S1684-Y1687 PolarHBondContact O-N 3.13Å; S1684-Y1688 WeakPolarHBondContact O-CD2 3.39Å; S1684-Y1688 PolarHBondContact O-N 3.48Å; S1684-Y1688 VanDerWaalsContact O-N 3.08Å
1685A68.1Low61.5Low49 Ų4970.1 Ų70.141%0.40540%0.401SS..Hα-helixtrans-73.1-34.1177.400000112.2P1681 N1682 E1683 S1689P1681-A1685 PolarHBondContact O-N 2.84Å; N1682-A1685 WeakPolarHBondContact O-CB 3.16Å; N1682-A1685 PolarHBondContact O-N 2.86Å; E1683-A1685 VanDerWaalsContact C-N 3.26Å; E1683-A1685 PolarHBondContact O-N 2.84Å; A1685-S1689 WeakPolarHBondContact O-CB 3.2Å; A1685-S1689 PolarHBondContact O-N 3.34Å; A1685-S1689 PolarHBondContact O-OG 3.48Å
1686I74.1Confident63.1Low93 Ų9369.8 Ų69.848%0.47739%0.392SS..Hα-helixtrans-64.4-47.2171.1-68.1164.1000109.8N1682 E1683 Y1688 S1689 L1690N1682-I1686 WeakPolarHBondContact O-CG1 3.36Å; N1682-I1686 PolarHBondContact O-N 3Å; E1683-I1686 PolarHBondContact O-N 3.45Å; I1686-Y1688 PolarHBondContact O-N 2.93Å; I1686-S1689 PolarHBondContact O-N 3.38Å; I1686-S1689 VanDerWaalsContact O-N 3.14Å; I1686-L1690 HydrophobicContact CG2-CD1 3.79Å; I1686-L1690 HydrophobicContact CG2-CG 4.35Å; I1686-L1690 WeakPolarHBondContact O-CB 3.29Å; I1686-L1690 WeakPolarHBondContact O-CG 3.42Å; I1686-L1690 PolarHBondContact O-N 3.03Å
1687Y61.6Low64.7Low40 Ų4070.1 Ų70.116%0.15739%0.386CS..Hα-helixtrans-56.4-49.1177.9-167-87.9000112.4L1523 Y1528 E1683 S1684 S1689 L1690 M1691L1523-Y1687 HydrophobicContact CB-CE1 4.36Å; L1523-Y1687 HydrophobicContact CB-CE2 4.36Å; L1523-Y1687 HydrophobicContact CD1-CE1 3.88Å; Y1528-Y1687 HydrophobicContact CD2-CD2 4.4Å; Y1528-Y1687 AromaticContact CD2-CE2 3.71Å; Y1528-Y1687 HydrophobicContact CD2-CE2 3.71Å; Y1528-Y1687 AromaticContact CD2-CZ 3.97Å; Y1528-Y1687 AromaticContact CG-CE2 3.91Å; Y1528-Y1687 HydrophobicContact CG-CE2 3.91Å; E1683-Y1687 PolarHBondContact O-N 3.12Å; S1684-Y1687 PolarHBondContact O-N 3.13Å; Y1687-S1689 PolarHBondContact O-N 3.16Å; Y1687-L1690 PolarHBondContact O-N 3.34Å; Y1687-M1691 HydrophobicContact CD1-CE 4.3Å; Y1687-M1691 HydrophobicContact CE1-CE 3.62Å; Y1687-M1691 PolarHBondContact O-N 3.35Å
1688Y70.6Confident66.4Low120 Ų12064.5 Ų64.547%0.47136%0.356SS..Hα-helixtrans-62.6-40.4175.2-88.9-56.9000113.2L1520 S1684 I1686 M1691 V1692L1520-Y1688 WeakPolarHBondContact CD1-OH 3Å; L1520-Y1688 HydrophobicContact CD2-CD2 4.38Å; L1520-Y1688 HydrophobicContact CD2-CE2 3.46Å; L1520-Y1688 VanDerWaalsContact CD2-CE2 3.46Å; S1684-Y1688 WeakPolarHBondContact O-CD2 3.39Å; S1684-Y1688 PolarHBondContact O-N 3.48Å; S1684-Y1688 VanDerWaalsContact O-N 3.08Å; I1686-Y1688 PolarHBondContact O-N 2.93Å; Y1688-M1691 PolarHBondContact O-N 3Å; Y1688-V1692 WeakPolarHBondContact O-CB 3.2Å; Y1688-V1692 VanDerWaalsContact O-CG2 3.3Å; Y1688-V1692 WeakPolarHBondContact O-CG2 3.41Å; Y1688-V1692 PolarHBondContact O-N 3.3Å
1689S75.4Confident68Low67 Ų6765.3 Ų65.347%0.46936%0.361SS..Hα-helixtrans-63.4-45.6179.9-60.70000111.1A1685 I1686 Y1687 V1692 D1693A1685-S1689 WeakPolarHBondContact O-CB 3.2Å; A1685-S1689 PolarHBondContact O-N 3.34Å; A1685-S1689 PolarHBondContact O-OG 3.48Å; I1686-S1689 PolarHBondContact O-N 3.38Å; I1686-S1689 VanDerWaalsContact O-N 3.14Å; Y1687-S1689 PolarHBondContact O-N 3.16Å; S1689-V1692 PolarHBondContact O-N 3.43Å; S1689-D1693 WeakPolarHBondContact O-CB 3.46Å; S1689-D1693 PolarHBondContact O-N 3.03Å
1690L76.8Confident69.9Low26 Ų2664 Ų6414%0.13635%0.345CS..Hα-helixtrans-60.1-46.1175.1-73.4169.3000111.9Y1528 F1668 I1686 Y1687 V1692 D1693 T1694Y1528-L1690 HydrophobicContact CE1-CD1 4.44Å; Y1528-L1690 HydrophobicContact CE2-CB 4.02Å; Y1528-L1690 WeakPolarHBondContact OH-CB 3.37Å; F1668-L1690 HydrophobicContact CD2-CD2 3.99Å; F1668-L1690 HydrophobicContact CE2-CD2 4.08Å; I1686-L1690 HydrophobicContact CG2-CD1 3.79Å; I1686-L1690 HydrophobicContact CG2-CG 4.35Å; I1686-L1690 WeakPolarHBondContact O-CB 3.29Å; I1686-L1690 WeakPolarHBondContact O-CG 3.42Å; I1686-L1690 PolarHBondContact O-N 3.03Å; Y1687-L1690 PolarHBondContact O-N 3.34Å; L1690-V1692 PolarHBondContact O-N 2.92Å; L1690-D1693 PolarHBondContact O-N 3.48Å; L1690-T1694 PolarHBondContact O-N 3.13Å; L1690-T1694 PolarHBondContact O-OG1 3.01Å; L1690-T1694 VanDerWaalsContact O-OG1 3.04Å
1691M71.6Confident71.5Confident26 Ų2662 Ų6213%0.12833%0.333CS..Hα-helixtrans-60.8-44.4176.6-169.8-166.5-65.700112W1531 Y1687 Y1688 D1693 I1695 L1773W1531-M1691 HydrophobicContact CH2-CB 4.15Å; W1531-M1691 HydrophobicContact CH2-CG 3.62Å; W1531-M1691 WeakPolarHBondContact CH2-O 3.42Å; W1531-M1691 HydrophobicContact CZ2-CG 3.96Å; W1531-M1691 HydrophobicContact CZ3-CB 4.38Å; W1531-M1691 HydrophobicContact CZ3-CG 4.19Å; Y1687-M1691 HydrophobicContact CD1-CE 4.3Å; Y1687-M1691 HydrophobicContact CE1-CE 3.62Å; Y1687-M1691 PolarHBondContact O-N 3.35Å; Y1688-M1691 PolarHBondContact O-N 3Å; M1691-D1693 VanDerWaalsContact C-N 3.3Å; M1691-D1693 PolarHBondContact O-N 2.95Å; M1691-I1695 HydrophobicContact CG-CD1 4.02Å; M1691-I1695 WeakPolarHBondContact O-CB 3.4Å; M1691-I1695 WeakPolarHBondContact O-CD1 3.41Å; M1691-I1695 VanDerWaalsContact O-CG1 3.26Å; M1691-I1695 WeakPolarHBondContact O-CG1 3.37Å; M1691-I1695 PolarHBondContact O-N 3.47Å; M1691-I1695 VanDerWaalsContact O-N 3.12Å; M1691-L1773 HydrophobicContact CE-CD2 4.49Å; M1691-L1773 HydrophobicContact SD-CD2 4.48Å
1692V78.7Confident73Confident78 Ų7860.7 Ų60.747%0.47332%0.321SS..Hα-helixtrans-63.1-37.7176.7169.80000111.3Y1688 S1689 L1690 R1696Y1688-V1692 WeakPolarHBondContact O-CB 3.2Å; Y1688-V1692 VanDerWaalsContact O-CG2 3.3Å; Y1688-V1692 WeakPolarHBondContact O-CG2 3.41Å; Y1688-V1692 PolarHBondContact O-N 3.3Å; S1689-V1692 PolarHBondContact O-N 3.43Å; L1690-V1692 PolarHBondContact O-N 2.92Å; V1692-R1696 WeakPolarHBondContact O-CB 3.43Å; V1692-R1696 PolarHBondContact O-N 2.89Å
1693D75.1Confident73.9Confident75 Ų7562.3 Ų62.340%0.40132%0.319SS..Hα-helixtrans-71.5-40.5-179.3-78.22.7000113.1S1689 L1690 M1691 R1696 Y1697S1689-D1693 WeakPolarHBondContact O-CB 3.46Å; S1689-D1693 PolarHBondContact O-N 3.03Å; L1690-D1693 PolarHBondContact O-N 3.48Å; M1691-D1693 VanDerWaalsContact C-N 3.3Å; M1691-D1693 PolarHBondContact O-N 2.95Å; D1693-R1696 WeakPolarHBondContact O-CB 3.37Å; D1693-R1696 PolarHBondContact O-N 3.36Å; D1693-R1696 IonicContact OD1-CZ 2.76Å; D1693-R1696 IonicContact OD1-NH1 2.8Å; D1693-R1696 PolarHBondContact OD1-NH1 3.05Å; D1693-R1696 IonicContact OD1-NH2 2.95Å; D1693-R1696 PolarHBondContact OD1-NH2 2.93Å; D1693-R1696 IonicContact OD2-NH1 3.22Å; D1693-Y1697 PolarHBondContact O-N 3.05Å
1694T70.8Confident75.1Confident19 Ų1963.7 Ų63.712%0.11733%0.326CS..Hα-helixtrans-71.1-34.8175.8-33.80000111.9W1531 M1535 L1690 R1696 Y1697 L1698W1531-T1694 HydrophobicContact CH2-CG2 4.29Å; W1531-T1694 HydrophobicContact CZ3-CG2 4.21Å; W1531-T1694 WeakPolarHBondContact CZ3-OG1 3.46Å; M1535-T1694 HydrophobicContact CB-CG2 3.72Å; M1535-T1694 HydrophobicContact CE-CG2 4.2Å; M1535-T1694 HydrophobicContact CG-CG2 4.23Å; L1690-T1694 PolarHBondContact O-N 3.13Å; L1690-T1694 PolarHBondContact O-OG1 3.01Å; L1690-T1694 VanDerWaalsContact O-OG1 3.04Å; T1694-R1696 VanDerWaalsContact C-N 3.34Å; T1694-Y1697 PolarHBondContact O-N 3.26Å; T1694-L1698 PolarHBondContact O-N 3.35Å
1695I78.9Confident76.3Confident73 Ų7362.9 Ų62.937%0.37432%0.315SS..Hα-helixtrans-62.1-42.5169.6-68.9169.3000110.4W1531 M1535 M1691 L1698 S1699W1531-I1695 HydrophobicContact CH2-CG1 4.18Å; W1531-I1695 HydrophobicContact CZ2-CD1 4.4Å; W1531-I1695 HydrophobicContact CZ2-CG1 3.95Å; M1535-I1695 HydrophobicContact CE-CG1 4.36Å; M1691-I1695 HydrophobicContact CG-CD1 4.02Å; M1691-I1695 WeakPolarHBondContact O-CB 3.4Å; M1691-I1695 WeakPolarHBondContact O-CD1 3.41Å; M1691-I1695 VanDerWaalsContact O-CG1 3.26Å; M1691-I1695 WeakPolarHBondContact O-CG1 3.37Å; M1691-I1695 PolarHBondContact O-N 3.47Å; M1691-I1695 VanDerWaalsContact O-N 3.12Å; I1695-L1698 PolarHBondContact O-N 3.46Å; I1695-S1699 WeakPolarHBondContact O-CB 3.36Å; I1695-S1699 PolarHBondContact O-N 2.85Å
1696R79.9Confident76.9Confident81 Ų8163.8 Ų63.831%0.30632%0.319SS..Hα-helixtrans-60.6-47175.3-165.6-169.4-56127.711.1111V1692 D1693 T1694 L1698 S1699 I1700V1692-R1696 WeakPolarHBondContact O-CB 3.43Å; V1692-R1696 PolarHBondContact O-N 2.89Å; D1693-R1696 WeakPolarHBondContact O-CB 3.37Å; D1693-R1696 PolarHBondContact O-N 3.36Å; D1693-R1696 IonicContact OD1-CZ 2.76Å; D1693-R1696 IonicContact OD1-NH1 2.8Å; D1693-R1696 PolarHBondContact OD1-NH1 3.05Å; D1693-R1696 IonicContact OD1-NH2 2.95Å; D1693-R1696 PolarHBondContact OD1-NH2 2.93Å; D1693-R1696 IonicContact OD2-NH1 3.22Å; T1694-R1696 VanDerWaalsContact C-N 3.34Å; R1696-L1698 PolarHBondContact O-N 3.04Å; R1696-S1699 PolarHBondContact O-N 3.31Å; R1696-S1699 PolarHBondContact O-OG 3.2Å; R1696-I1700 HydrophobicContact CG-CD1 4.27Å; R1696-I1700 WeakPolarHBondContact O-CG1 3.41Å; R1696-I1700 PolarHBondContact O-N 3.44Å; R1696-I1700 VanDerWaalsContact O-N 3.1Å
1697Y78.6Confident77.3Confident74 Ų7463.9 Ų63.929%0.2932%0.32SS..Hα-helixtrans-57.5-48.7177.7175.6-112.9000112.4A1539 D1693 T1694 S1699 I1700 K1701A1539-Y1697 HydrophobicContact CB-CD1 4.33Å; A1539-Y1697 HydrophobicContact CB-CE1 3.52Å; D1693-Y1697 PolarHBondContact O-N 3.05Å; T1694-Y1697 PolarHBondContact O-N 3.26Å; Y1697-S1699 VanDerWaalsContact C-N 3.34Å; Y1697-S1699 PolarHBondContact O-N 3.24Å; Y1697-I1700 PolarHBondContact O-N 2.9Å; Y1697-K1701 HydrophobicContact CE1-CG 4.45Å; Y1697-K1701 HydrophobicContact CE2-CG 4.15Å; Y1697-K1701 PolarHBondContact O-N 3.18Å; Y1697-K1701 VanDerWaalsContact O-N 3.08Å
1698L81.4Confident78.2Confident10 Ų1066.3 Ų66.35%0.05233%0.331CS..Hα-helixtrans-62.8-40.1176.7177.157.1000112.1M1535 L1538 L1542 T1694 I1695 R1696 I1700 K1701 L1702M1535-L1698 HydrophobicContact CE-CB 3.8Å; M1535-L1698 HydrophobicContact CE-CD2 3.7Å; M1535-L1698 HydrophobicContact CE-CG 4.4Å; M1535-L1698 HydrophobicContact SD-CD2 3.76Å; L1538-L1698 HydrophobicContact CD2-CD1 3.46Å; L1538-L1698 VanDerWaalsContact CD2-CD1 3.46Å; L1538-L1698 HydrophobicContact CD2-CD2 4.19Å; L1538-L1698 HydrophobicContact CD2-CG 4.48Å; L1542-L1698 HydrophobicContact CD1-CD1 3.8Å; T1694-L1698 PolarHBondContact O-N 3.35Å; I1695-L1698 PolarHBondContact O-N 3.46Å; R1696-L1698 PolarHBondContact O-N 3.04Å; L1698-I1700 VanDerWaalsContact C-N 3.26Å; L1698-I1700 PolarHBondContact O-N 2.75Å; L1698-K1701 PolarHBondContact O-N 3.05Å; L1698-K1701 VanDerWaalsContact O-N 3.09Å; L1698-L1702 HydrophobicContact CD1-CD1 4.16Å; L1698-L1702 HydrophobicContact CD1-CG 4.05Å; L1698-L1702 HydrophobicContact CG-CD1 4Å; L1698-L1702 HydrophobicContact CG-CG 4.39Å; L1698-L1702 PolarHBondContact O-N 2.8Å
1699S77.4Confident78.7Confident64 Ų6462.4 Ų62.445%0.44832%0.318SS..Hα-helixtrans-60.9-35.117879.70000112.8I1695 R1696 Y1697 R1703I1695-S1699 WeakPolarHBondContact O-CB 3.36Å; I1695-S1699 PolarHBondContact O-N 2.85Å; R1696-S1699 PolarHBondContact O-N 3.31Å; R1696-S1699 PolarHBondContact O-OG 3.2Å; Y1697-S1699 VanDerWaalsContact C-N 3.34Å; Y1697-S1699 PolarHBondContact O-N 3.24Å; S1699-R1703 PolarHBondContact O-N 3.16Å
1700I81Confident78.9Confident82 Ų8261.8 Ų61.842%0.42132%0.317SS..Hα-helixtrans-70-41.5174.6-66.5164.1000110.3R1696 Y1697 L1698 R1703 Q1704R1696-I1700 HydrophobicContact CG-CD1 4.27Å; R1696-I1700 WeakPolarHBondContact O-CG1 3.41Å; R1696-I1700 PolarHBondContact O-N 3.44Å; R1696-I1700 VanDerWaalsContact O-N 3.1Å; Y1697-I1700 PolarHBondContact O-N 2.9Å; L1698-I1700 VanDerWaalsContact C-N 3.26Å; L1698-I1700 PolarHBondContact O-N 2.75Å; I1700-R1703 PolarHBondContact O-N 3.09Å; I1700-Q1704 HydrophobicContact CG2-CG 4.47Å; I1700-Q1704 WeakPolarHBondContact O-CG 3.26Å; I1700-Q1704 PolarHBondContact O-N 2.65Å
1701K81.4Confident79.1Confident30 Ų3067.9 Ų67.913%0.1334%0.34CS..Hα-helixtrans-66.2-41.3178.6-75.2-75.7167.9-1610113.1A1539 L1542 N1543 Y1697 L1698 R1703 Q1704 F1705A1539-K1701 HydrophobicContact CB-CG 4.15Å; L1542-K1701 HydrophobicContact CD1-CB 4.24Å; N1543-K1701 WeakPolarHBondContact OD1-CD 3.49Å; N1543-K1701 PolarHBondContact OD1-NZ 3.08Å; Y1697-K1701 HydrophobicContact CE1-CG 4.45Å; Y1697-K1701 HydrophobicContact CE2-CG 4.15Å; Y1697-K1701 PolarHBondContact O-N 3.18Å; Y1697-K1701 VanDerWaalsContact O-N 3.08Å; L1698-K1701 PolarHBondContact O-N 3.05Å; L1698-K1701 VanDerWaalsContact O-N 3.09Å; K1701-R1703 VanDerWaalsContact C-N 3.32Å; K1701-R1703 PolarHBondContact O-N 3.35Å; K1701-Q1704 PolarHBondContact O-N 2.92Å; K1701-F1705 PolarHBondContact O-N 3.43Å
1702L79.1Confident79.4Confident55 Ų5569.3 Ų69.329%0.28834%0.344SS..Hα-helixtrans-61.1-39.8173.2-75.2166.3000112L1542 L1698 F1705 S1706L1542-L1702 HydrophobicContact CD1-CD2 3.61Å; L1542-L1702 HydrophobicContact CD1-CG 3.85Å; L1542-L1702 HydrophobicContact CD2-CD2 3.99Å; L1542-L1702 HydrophobicContact CG-CD2 4.47Å; L1698-L1702 HydrophobicContact CD1-CD1 4.16Å; L1698-L1702 HydrophobicContact CD1-CG 4.05Å; L1698-L1702 HydrophobicContact CG-CD1 4Å; L1698-L1702 HydrophobicContact CG-CG 4.39Å; L1698-L1702 PolarHBondContact O-N 2.8Å; L1702-F1705 PolarHBondContact O-N 3.12Å; L1702-S1706 WeakPolarHBondContact O-CB 3.45Å; L1702-S1706 PolarHBondContact O-N 3.44Å
1703R80.9Confident79.3Confident137 Ų13769 Ų6952%0.51734%0.339SS..Hα-helixtrans-65-49.5173.8-175.2174.9-68.3173.4-4.2111.9S1699 I1700 K1701 F1705 S1706 D1707S1699-R1703 PolarHBondContact O-N 3.16Å; I1700-R1703 PolarHBondContact O-N 3.09Å; K1701-R1703 VanDerWaalsContact C-N 3.32Å; K1701-R1703 PolarHBondContact O-N 3.35Å; R1703-F1705 PolarHBondContact O-N 2.92Å; R1703-S1706 WeakPolarHBondContact O-CB 3.37Å; R1703-S1706 PolarHBondContact O-N 2.69Å; R1703-S1706 VanDerWaalsContact O-N 3.08Å; R1703-D1707 WeakPolarHBondContact CG-OD2 3.43Å; R1703-D1707 VanDerWaalsContact O-CG 3.24Å; R1703-D1707 PolarHBondContact O-N 2.98Å
1704Q80.4Confident79.5Confident81 Ų8167.7 Ų67.738%0.37934%0.335SS..Hα-helixtrans-56.3-34.7176.3-74.7179.2-4.800113I1700 K1701 K1708I1700-Q1704 HydrophobicContact CG2-CG 4.47Å; I1700-Q1704 WeakPolarHBondContact O-CG 3.26Å; I1700-Q1704 PolarHBondContact O-N 2.65Å; K1701-Q1704 PolarHBondContact O-N 2.92Å; Q1704-K1708 WeakPolarHBondContact O-CD 3.16Å; Q1704-K1708 VanDerWaalsContact O-CG 3.3Å; Q1704-K1708 WeakPolarHBondContact O-CG 3.3Å; Q1704-K1708 PolarHBondContact O-N 3.38Å
1705F80.2Confident79.9Confident40 Ų4072.2 Ų72.218%0.17535%0.351CS..Hα-helixtrans-68.7-50.7173.2176.9-100.9000111.7L1542 L1545 A1546 K1701 L1702 R1703 D1707 K1708 L1709L1542-F1705 HydrophobicContact CD2-CB 4.19Å; L1542-F1705 HydrophobicContact CD2-CD1 4.23Å; L1542-F1705 HydrophobicContact CD2-CD2 4.44Å; L1542-F1705 HydrophobicContact CD2-CG 4.01Å; L1545-F1705 HydrophobicContact CB-CD2 4.48Å; L1545-F1705 HydrophobicContact CB-CE2 3.8Å; L1545-F1705 HydrophobicContact CD2-CE2 3.67Å; L1545-F1705 HydrophobicContact CD2-CZ 3.55Å; L1545-F1705 HydrophobicContact CG-CE2 3.63Å; L1545-F1705 HydrophobicContact CG-CZ 3.95Å; A1546-F1705 HydrophobicContact CB-CD2 4.11Å; K1701-F1705 PolarHBondContact O-N 3.43Å; L1702-F1705 PolarHBondContact O-N 3.12Å; R1703-F1705 PolarHBondContact O-N 2.92Å; F1705-D1707 PolarHBondContact O-N 2.95Å; F1705-K1708 PolarHBondContact O-N 3.45Å; F1705-L1709 HydrophobicContact CE1-CD1 3.85Å; F1705-L1709 HydrophobicContact CZ-CD1 3.67Å; F1705-L1709 WeakPolarHBondContact O-CB 3.47Å; F1705-L1709 PolarHBondContact O-N 3.19Å
1706S80.4Confident79.6Confident69 Ų6970.8 Ų70.848%0.48334%0.344SS..Hα-helixtrans-55.6-46.8178.2-178.80000112.6L1702 R1703 K1708 L1709 A1710L1702-S1706 WeakPolarHBondContact O-CB 3.45Å; L1702-S1706 PolarHBondContact O-N 3.44Å; R1703-S1706 WeakPolarHBondContact O-CB 3.37Å; R1703-S1706 PolarHBondContact O-N 2.69Å; R1703-S1706 VanDerWaalsContact O-N 3.08Å; S1706-K1708 PolarHBondContact O-N 3.03Å; S1706-L1709 PolarHBondContact O-N 3.32Å; S1706-A1710 WeakPolarHBondContact O-CB 3.02Å; S1706-A1710 PolarHBondContact O-N 3.04Å
1707D82.9Confident79.3Confident94 Ų9473.4 Ų73.450%0.50336%0.36SS..Hα-helixtrans-65.2-40.4-177.7-61.4-24.2000111.6R1703 F1705 Y1711R1703-D1707 WeakPolarHBondContact CG-OD2 3.43Å; R1703-D1707 VanDerWaalsContact O-CG 3.24Å; R1703-D1707 PolarHBondContact O-N 2.98Å; F1705-D1707 PolarHBondContact O-N 2.95Å; D1707-Y1711 WeakPolarHBondContact O-CB 3.05Å; D1707-Y1711 PolarHBondContact O-N 3.46Å
1708K81.6Confident78.8Confident92 Ų9275.9 Ų75.940%0.437%0.374SS..Hα-helixtrans-66-38.3174.3-74.8174.9178.3-1780112.4A1546 Q1704 F1705 S1706 Y1711 R1712A1546-K1708 HydrophobicContact CB-CD 3.72Å; Q1704-K1708 WeakPolarHBondContact O-CD 3.16Å; Q1704-K1708 VanDerWaalsContact O-CG 3.3Å; Q1704-K1708 WeakPolarHBondContact O-CG 3.3Å; Q1704-K1708 PolarHBondContact O-N 3.38Å; F1705-K1708 PolarHBondContact O-N 3.45Å; S1706-K1708 PolarHBondContact O-N 3.03Å; K1708-Y1711 PolarHBondContact O-N 2.96Å; K1708-R1712 WeakPolarHBondContact O-CB 3.42Å; K1708-R1712 WeakPolarHBondContact O-CD 3.4Å; K1708-R1712 VanDerWaalsContact O-CG 3.23Å; K1708-R1712 WeakPolarHBondContact O-CG 3.45Å; K1708-R1712 PolarHBondContact O-N 3.29Å
1709L80.3Confident78Confident37 Ų3780.3 Ų80.319%0.19440%0.395CS..Hα-helixtrans-68.2-43.5178.1-169.5145.1000111F1705 S1706 R1712 L1713 T1755F1705-L1709 HydrophobicContact CE1-CD1 3.85Å; F1705-L1709 HydrophobicContact CZ-CD1 3.67Å; F1705-L1709 WeakPolarHBondContact O-CB 3.47Å; F1705-L1709 PolarHBondContact O-N 3.19Å; S1706-L1709 PolarHBondContact O-N 3.32Å; L1709-R1712 PolarHBondContact O-N 2.96Å; L1709-L1713 HydrophobicContact CD2-CD1 3.68Å; L1709-L1713 HydrophobicContact CD2-CG 4.3Å; L1709-L1713 WeakPolarHBondContact O-CG 3.4Å; L1709-L1713 PolarHBondContact O-N 2.98Å; L1709-T1755 HydrophobicContact CD1-CG2 3.85Å
1710A80.3Confident77.4Confident54 Ų5480.9 Ų80.945%0.44640%0.403SS..Hα-helixtrans-60.9-44.3172.700000112.2S1706 R1712 L1713 S1714S1706-A1710 WeakPolarHBondContact O-CB 3.02Å; S1706-A1710 PolarHBondContact O-N 3.04Å; A1710-R1712 PolarHBondContact O-N 3.48Å; A1710-L1713 PolarHBondContact O-N 2.99Å; A1710-S1714 PolarHBondContact O-N 2.89Å
1711Y79.4Confident76Confident155 Ų15582.8 Ų82.861%0.60841%0.414SS*.Hα-helixtrans-57.6-49.6174.5-178.1-92.9000111.5D1707 K1708 L1713 S1714 Y1715D1707-Y1711 WeakPolarHBondContact O-CB 3.05Å; D1707-Y1711 PolarHBondContact O-N 3.46Å; K1708-Y1711 PolarHBondContact O-N 2.96Å; Y1711-L1713 PolarHBondContact O-N 2.98Å; Y1711-S1714 PolarHBondContact O-N 2.77Å; Y1711-S1714 PolarHBondContact O-OG 3.07Å; Y1711-Y1715 WeakPolarHBondContact O-CB 3.08Å; Y1711-Y1715 PolarHBondContact O-N 3.02Å
1712R77.8Confident74.8Confident56 Ų5685.1 Ų85.121%0.21144%0.439CS..Hα-helixtrans-58.4-46.2178.1-75.4164.2167.5-149.6-17.1112.6L1545 A1546 K1547 E1548 K1708 L1709 A1710 S1714 Y1715 N1716L1545-R1712 PolarHBondContact O-NH1 3.01Å; A1546-R1712 PolarHBondContact O-NH2 3.43Å; K1547-R1712 VanDerWaalsContact C-NH2 3.32Å; K1547-R1712 PolarHBondContact O-NH2 3.32Å; E1548-R1712 PolarHBondContact O-NH1 2.89Å; E1548-R1712 PolarHBondContact O-NH2 3.28Å; K1708-R1712 WeakPolarHBondContact O-CB 3.42Å; K1708-R1712 WeakPolarHBondContact O-CD 3.4Å; K1708-R1712 VanDerWaalsContact O-CG 3.23Å; K1708-R1712 WeakPolarHBondContact O-CG 3.45Å; K1708-R1712 PolarHBondContact O-N 3.29Å; L1709-R1712 PolarHBondContact O-N 2.96Å; A1710-R1712 PolarHBondContact O-N 3.48Å; R1712-S1714 PolarHBondContact O-N 3.45Å; R1712-Y1715 PolarHBondContact O-N 3.24Å; R1712-N1716 WeakPolarHBondContact O-CB 3.14Å; R1712-N1716 PolarHBondContact O-N 3.17Å; R1712-N1716 PolarHBondContact O-ND2 3.47Å
1713L77.4Confident73.2Confident71 Ų7187.9 Ų87.937%0.37246%0.463SS..Hα-helixtrans-60.4-43.6175.7-70.9175.1000111.9L1709 A1710 Y1711 N1716 Q1717 L1752L1709-L1713 HydrophobicContact CD2-CD1 3.68Å; L1709-L1713 HydrophobicContact CD2-CG 4.3Å; L1709-L1713 WeakPolarHBondContact O-CG 3.4Å; L1709-L1713 PolarHBondContact O-N 2.98Å; A1710-L1713 PolarHBondContact O-N 2.99Å; Y1711-L1713 PolarHBondContact O-N 2.98Å; L1713-N1716 PolarHBondContact O-N 2.88Å; L1713-Q1717 WeakPolarHBondContact O-CB 3.3Å; L1713-Q1717 PolarHBondContact O-N 3.23Å; L1713-L1752 HydrophobicContact CD2-CD2 4.03Å
1714S79Confident71.3Confident47 Ų4784.8 Ų84.833%0.32947%0.474SS..Hα-helixtrans-65.5-40.6178.5780000112.6A1710 Y1711 R1712 Q1717 Q1718A1710-S1714 PolarHBondContact O-N 2.89Å; Y1711-S1714 PolarHBondContact O-N 2.77Å; Y1711-S1714 PolarHBondContact O-OG 3.07Å; R1712-S1714 PolarHBondContact O-N 3.45Å; S1714-Q1717 PolarHBondContact O-N 3.37Å; S1714-Q1718 WeakPolarHBondContact O-CG 3.43Å; S1714-Q1718 PolarHBondContact O-N 3.13Å
1715Y78.8Confident69.2Low115 Ų11585.5 Ų85.545%0.45149%0.488SS..Hα-helixtrans-65.8-42.8178-177.5-110.1000111.8Y1711 R1712 Q1718 Q1719Y1711-Y1715 WeakPolarHBondContact O-CB 3.08Å; Y1711-Y1715 PolarHBondContact O-N 3.02Å; R1712-Y1715 PolarHBondContact O-N 3.24Å; Y1715-Q1718 PolarHBondContact O-N 3.48Å; Y1715-Q1719 HydrophobicContact CE1-CG 4.42Å; Y1715-Q1719 PolarHBondContact O-N 2.86Å
1716N73.2Confident67.1Low42 Ų4291.8 Ų91.823%0.22552%0.523CS..Hα-helixtrans-66.8-38176.7-66.4-20.7000111.6F1551 R1712 L1713 Q1718 Q1719 A1720F1551-N1716 HydrophobicContact CE2-CB 4.43Å; F1551-N1716 WeakPolarHBondContact CE2-ND2 3.39Å; R1712-N1716 WeakPolarHBondContact O-CB 3.14Å; R1712-N1716 PolarHBondContact O-N 3.17Å; R1712-N1716 PolarHBondContact O-ND2 3.47Å; L1713-N1716 PolarHBondContact O-N 2.88Å; N1716-Q1718 VanDerWaalsContact C-N 3.35Å; N1716-Q1719 PolarHBondContact O-N 3.45Å; N1716-A1720 WeakPolarHBondContact O-CB 3.44Å; N1716-A1720 PolarHBondContact O-N 3.33Å
1717Q73.2Confident64.9Low136 Ų13694.7 Ų94.764%0.63654%0.538SS*.Hα-helixtrans-65.5-35.6173.1-174.1170.468.900112.5L1713 S1714 N1721L1713-Q1717 WeakPolarHBondContact O-CB 3.3Å; L1713-Q1717 PolarHBondContact O-N 3.23Å; S1714-Q1717 PolarHBondContact O-N 3.37Å; Q1717-N1721 PolarHBondContact O-N 3.03Å; Q1717-N1721 PolarHBondContact O-ND2 3.24Å
1718Q69.3Low62.7Low126 Ų12696.5 Ų96.559%0.58955%0.553SS**Hα-helixtrans-67.5-44.9174.1-73.3174.920.300112.1S1714 Y1715 N1716 A1720 N1721 A1722S1714-Q1718 WeakPolarHBondContact O-CG 3.43Å; S1714-Q1718 PolarHBondContact O-N 3.13Å; Y1715-Q1718 PolarHBondContact O-N 3.48Å; N1716-Q1718 VanDerWaalsContact C-N 3.35Å; Q1718-A1720 PolarHBondContact O-N 2.93Å; Q1718-N1721 PolarHBondContact O-N 3.33Å; Q1718-A1722 WeakPolarHBondContact O-CB 3.48Å; Q1718-A1722 PolarHBondContact O-N 2.88Å
1719Q64.8Low60.5Low104 Ų104100.4 Ų100.449%0.48657%0.572SS.*Hα-helixtrans-59.6-43.7175.2-74.7-166.580.400112.5Y1715 N1716 N1721 A1722 S1723Y1715-Q1719 HydrophobicContact CE1-CG 4.42Å; Y1715-Q1719 PolarHBondContact O-N 2.86Å; N1716-Q1719 PolarHBondContact O-N 3.45Å; Q1719-N1721 PolarHBondContact O-N 2.88Å; Q1719-A1722 PolarHBondContact O-N 2.98Å; Q1719-S1723 PolarHBondContact O-N 3.2Å
1720A63.7Low58.5Low76 Ų76102 Ų10263%0.62858%0.58SS**Hα-helixtrans-59.9-33.217800000112.9N1716 Q1718N1716-A1720 WeakPolarHBondContact O-CB 3.44Å; N1716-A1720 PolarHBondContact O-N 3.33Å; Q1718-A1720 PolarHBondContact O-N 2.93Å
1721N53.1Low56.5Low122 Ų122105.2 Ų105.265%0.65260%0.6SS**Hα-helixtrans-82-36.3177.5-70.5-26.4000113Q1717 Q1718 Q1719 S1723 G1724Q1717-N1721 PolarHBondContact O-N 3.03Å; Q1717-N1721 PolarHBondContact O-ND2 3.24Å; Q1718-N1721 PolarHBondContact O-N 3.33Å; Q1719-N1721 PolarHBondContact O-N 2.88Å; N1721-S1723 VanDerWaalsContact C-N 3.33Å; N1721-S1723 PolarHBondContact O-N 3.46Å; N1721-G1724 PolarHBondContact O-N 2.75Å
1722A55.4Low54.6Low79 Ų79102.3 Ų102.365%0.65360%0.602SS**Hα-helixtrans-67.5-29.8-176.900000113.7Q1718 Q1719 G1724Q1718-A1722 WeakPolarHBondContact O-CB 3.48Å; Q1718-A1722 PolarHBondContact O-N 2.88Å; Q1719-A1722 PolarHBondContact O-N 2.98Å; A1722-G1724 PolarHBondContact O-N 3.08Å; A1722-G1724 VanDerWaalsContact O-N 3.1Å
1723S44.5Very low52.9Low113 Ų113106.6 Ų106.679%0.7962%0.619SS**THydrogen-bonded Turntrans-68-6.7-178.7-160.10000114.4Q1719 N1721 S1725Q1719-S1723 PolarHBondContact O-N 3.2Å; N1721-S1723 VanDerWaalsContact C-N 3.33Å; N1721-S1723 PolarHBondContact O-N 3.46Å; S1723-S1725 PolarHBondContact O-N 3.41Å
1724G42.4Very low51.1Low72 Ų72111.7 Ų111.774%0.74263%0.634SS**THydrogen-bonded Turntrans-79.9-2.3-174.900000117.2N1721 A1722N1721-G1724 PolarHBondContact O-N 2.75Å; A1722-G1724 PolarHBondContact O-N 3.08Å; A1722-G1724 VanDerWaalsContact O-N 3.1Å
1725S35.1Very low49.3Very low96 Ų96114.4 Ų114.467%0.67165%0.649SS**  trans-126.576.5-164.8-179.20000115S1723S1723-S1725 PolarHBondContact O-N 3.41Å
1726N37.4Very low47.4Very low172 Ų172112.8 Ų112.892%0.9265%0.654SS**  trans-151128.4151.5-95.5-44.2000109.9
1727T34.4Very low46Very low129 Ų129114.8 Ų114.879%0.79166%0.664SS**  trans-105.2158.2-167.952.50000113.6
1728T34.8Very low44.3Very low132 Ų132114.9 Ų114.981%0.8166%0.664SS**SBendtrans8144.5159.3-29.50000117.5
1729E36.9Very low42.9Very low174 Ų174115.4 Ų115.481%0.81367%0.667SS**  trans-157.1173149.5-124.1172.4-136.900112.3
1730L37.2Very low41.9Very low70 Ų70115.4 Ų115.437%0.36667%0.67SS.*  trans67.660.5164.9-54.1132000118S1732 R1733L1730-S1732 PolarHBondContact O-N 3.36Å; L1730-R1733 HydrophobicContact CB-CB 4.46Å; L1730-R1733 HydrophobicContact CB-CG 4.03Å; L1730-R1733 HydrophobicContact CD2-CG 4.3Å; L1730-R1733 PolarHBondContact O-N 3.21Å; L1730-R1733 VanDerWaalsContact O-N 3.15Å
1731S38.2Very low40.9Very low122 Ų122120 Ų12085%0.85367%0.671SS**THydrogen-bonded Turntrans-58-4.6163.7-171.30000114.7
1732S40.2Very low40.4Very low94 Ų94119.4 Ų119.466%0.65767%0.668SS**THydrogen-bonded Turntrans-91.8-20.2176.649.80000114.6L1730 Y1734L1730-S1732 PolarHBondContact O-N 3.36Å; S1732-Y1734 VanDerWaalsContact C-N 3.31Å; S1732-Y1734 PolarHBondContact O-N 3.33Å
1733R42.6Very low39.8Very low147 Ų147120.3 Ų120.356%0.55566%0.662SS**THydrogen-bonded Turntrans-77.4-14.1180-73.9-174.6-171.2175.510.3114L1730 V1735 S1736 I1737L1730-R1733 HydrophobicContact CB-CB 4.46Å; L1730-R1733 HydrophobicContact CB-CG 4.03Å; L1730-R1733 HydrophobicContact CD2-CG 4.3Å; L1730-R1733 PolarHBondContact O-N 3.21Å; L1730-R1733 VanDerWaalsContact O-N 3.15Å; R1733-V1735 VanDerWaalsContact C-N 3.26Å; R1733-V1735 PolarHBondContact O-N 2.85Å; R1733-V1735 VanDerWaalsContact O-N 3.16Å; R1733-S1736 PolarHBondContact O-N 3.32Å; R1733-I1737 HydrophobicContact CB-CD1 3.93Å; R1733-I1737 WeakPolarHBondContact O-CG1 3.36Å; R1733-I1737 PolarHBondContact O-N 2.98Å
1734Y38.5Very low39.8Very low177 Ų177118.9 Ų118.969%0.69465%0.648SS**THydrogen-bonded Turntrans-64.3-23.5-167.3-115.3-90.1000115.2S1732S1732-Y1734 VanDerWaalsContact C-N 3.31Å; S1732-Y1734 PolarHBondContact O-N 3.33Å
1735V42.4Very low39.9Very low105 Ų105122 Ų12264%0.63664%0.643SS**THydrogen-bonded Turntrans-78-48.4177.2-177.80000110.9R1733 I1737 Q1738 Q1739R1733-V1735 VanDerWaalsContact C-N 3.26Å; R1733-V1735 PolarHBondContact O-N 2.85Å; R1733-V1735 VanDerWaalsContact O-N 3.16Å; V1735-I1737 PolarHBondContact O-N 3.26Å; V1735-Q1738 PolarHBondContact O-N 3.41Å; V1735-Q1738 VanDerWaalsContact O-N 3.1Å; V1735-Q1739 PolarHBondContact O-N 3.45Å
1736S39.2Very low40.2Very low81 Ų81119.8 Ų119.857%0.56663%0.628SS**Hα-helixtrans-61-31.1179.4-48.30000113R1733 Q1738 N1740R1733-S1736 PolarHBondContact O-N 3.32Å; S1736-Q1738 VanDerWaalsContact C-N 3.35Å; S1736-N1740 WeakPolarHBondContact O-CB 3.34Å; S1736-N1740 PolarHBondContact O-N 2.79Å
1737I42.8Very low40.6Very low83 Ų83114.4 Ų114.443%0.42660%0.604SS.*Hα-helixtrans-74.5-21.9179.1-66.6168.2000112.5R1733 V1735 R1741R1733-I1737 HydrophobicContact CB-CD1 3.93Å; R1733-I1737 WeakPolarHBondContact O-CG1 3.36Å; R1733-I1737 PolarHBondContact O-N 2.98Å; V1735-I1737 PolarHBondContact O-N 3.26Å; I1737-R1741 WeakPolarHBondContact O-CG 3.4Å
1738Q38.5Very low41.3Very low138 Ų138110.7 Ų110.765%0.64558%0.581SS**Hα-helixtrans-74.6-47.4171.3-67.7-165-88.500110.9V1735 S1736 N1740 R1741V1735-Q1738 PolarHBondContact O-N 3.41Å; V1735-Q1738 VanDerWaalsContact O-N 3.1Å; S1736-Q1738 VanDerWaalsContact C-N 3.35Å; Q1738-N1740 PolarHBondContact O-N 2.7Å; Q1738-R1741 WeakPolarHBondContact O-CB 3.42Å; Q1738-R1741 PolarHBondContact O-N 3.21Å; Q1738-R1741 VanDerWaalsContact O-N 3.16Å
1739Q39.8Very low42.6Very low138 Ų138111.5 Ų111.565%0.64557%0.573SS**Hα-helixtrans-62.6-46.6-176.3-153.6161.5-4.800111.7V1735 R1741 D1742V1735-Q1739 PolarHBondContact O-N 3.45Å; Q1739-R1741 PolarHBondContact O-N 3.37Å; Q1739-D1742 PolarHBondContact O-N 3.47Å
1740N42.1Very low43.4Very low104 Ų104110.1 Ų110.156%0.55656%0.561SS**Hα-helixtrans-66.7-17.5178.8-155.6-55.2000113.5S1736 Q1738 V1744S1736-N1740 WeakPolarHBondContact O-CB 3.34Å; S1736-N1740 PolarHBondContact O-N 2.79Å; Q1738-N1740 PolarHBondContact O-N 2.7Å; N1740-V1744 WeakPolarHBondContact O-CG2 3.13Å; N1740-V1744 PolarHBondContact O-N 3Å
1741R44.6Very low44.2Very low172 Ų172108.2 Ų108.265%0.64956%0.556SS**Hα-helixtrans-74.5-34.3174.7-89.1-179.9169.4-178.1-2.1113.1I1737 Q1738 Q1739 Q1745I1737-R1741 WeakPolarHBondContact O-CG 3.4Å; Q1738-R1741 WeakPolarHBondContact O-CB 3.42Å; Q1738-R1741 PolarHBondContact O-N 3.21Å; Q1738-R1741 VanDerWaalsContact O-N 3.16Å; Q1739-R1741 PolarHBondContact O-N 3.37Å; R1741-Q1745 WeakPolarHBondContact O-CB 3.37Å; R1741-Q1745 WeakPolarHBondContact O-CG 3.33Å; R1741-Q1745 PolarHBondContact O-N 3.33Å; R1741-Q1745 VanDerWaalsContact O-N 3.08Å
1742D41.6Very low45.2Very low110 Ų110105.3 Ų105.359%0.58853%0.531SS*.Hα-helixtrans-75-34.5-178.9-62.7-24.1000110.6Q1739 S1746Q1739-D1742 PolarHBondContact O-N 3.47Å; D1742-S1746 WeakPolarHBondContact O-CB 3.48Å; D1742-S1746 PolarHBondContact O-N 3.02Å; D1742-S1746 PolarHBondContact O-OG 3.2Å
1743D43.6Very low46.4Very low98 Ų98105.7 Ų105.752%0.52452%0.522SS..Hα-helixtrans-65.8-47.2173.3-60.6-35.6000111.9Q1745 S1746 S1747D1743-Q1745 PolarHBondContact O-N 3.47Å; D1743-S1746 WeakPolarHBondContact CA-OG 3.48Å; D1743-S1746 PolarHBondContact O-N 2.93Å; D1743-S1746 PolarHBondContact O-OG 3.02Å; D1743-S1747 WeakPolarHBondContact O-CB 3.49Å; D1743-S1747 PolarHBondContact O-N 3.14Å
1744V43.8Very low47.4Very low82 Ų82102.9 Ų102.950%0.49752%0.518SS..Hα-helixtrans-66.2-36.8177.6172.20000112.1N1740 T1748N1740-V1744 WeakPolarHBondContact O-CG2 3.13Å; N1740-V1744 PolarHBondContact O-N 3Å; V1744-T1748 WeakPolarHBondContact O-CB 3.35Å; V1744-T1748 PolarHBondContact O-N 3.43Å; V1744-T1748 VanDerWaalsContact O-N 3.09Å; V1744-T1748 PolarHBondContact O-OG1 3.08Å
1745Q45.3Very low48.3Very low139 Ų13996.2 Ų96.265%0.6550%0.496SS*.Hα-helixtrans-69.2-37.1175.5-77-169.912.500112.8R1741 D1743 K1749R1741-Q1745 WeakPolarHBondContact O-CB 3.37Å; R1741-Q1745 WeakPolarHBondContact O-CG 3.33Å; R1741-Q1745 PolarHBondContact O-N 3.33Å; R1741-Q1745 VanDerWaalsContact O-N 3.08Å; D1743-Q1745 PolarHBondContact O-N 3.47Å; Q1745-K1749 WeakPolarHBondContact O-CB 3.27Å; Q1745-K1749 PolarHBondContact O-N 3.47Å; Q1745-K1749 VanDerWaalsContact O-N 3.12Å
1746S40.3Very low49.2Very low48 Ų4897.2 Ų97.234%0.33649%0.491SS..Hα-helixtrans-71-45.6176.753.80000112D1742 D1743 T1748 K1749 Y1750D1742-S1746 WeakPolarHBondContact O-CB 3.48Å; D1742-S1746 PolarHBondContact O-N 3.02Å; D1742-S1746 PolarHBondContact O-OG 3.2Å; D1743-S1746 WeakPolarHBondContact CA-OG 3.48Å; D1743-S1746 PolarHBondContact O-N 2.93Å; D1743-S1746 PolarHBondContact O-OG 3.02Å; S1746-T1748 PolarHBondContact O-N 2.74Å; S1746-K1749 WeakPolarHBondContact O-CB 3.08Å; S1746-K1749 PolarHBondContact O-N 3.31Å; S1746-Y1750 WeakPolarHBondContact O-CD2 3.33Å; S1746-Y1750 PolarHBondContact O-N 2.98Å; S1746-Y1750 VanDerWaalsContact O-N 3.08Å
1747S45.1Very low50.6Low60 Ų6097.2 Ų97.242%0.4248%0.482SS..Hα-helixtrans-53.4-50172.4174.70000112.2D1743 K1749 Y1750 A1751D1743-S1747 WeakPolarHBondContact O-CB 3.49Å; D1743-S1747 PolarHBondContact O-N 3.14Å; S1747-K1749 VanDerWaalsContact C-N 3.25Å; S1747-K1749 PolarHBondContact O-N 3.37Å; S1747-Y1750 PolarHBondContact O-N 3.21Å; S1747-A1751 PolarHBondContact O-N 2.86Å; S1747-A1751 VanDerWaalsContact O-N 3.13Å
1748T51Low51.4Low51 Ų5196.5 Ų96.531%0.31348%0.479SS..Hα-helixtrans-59.8-35.2177.4-55.20000112.3V1744 S1746 L1752V1744-T1748 WeakPolarHBondContact O-CB 3.35Å; V1744-T1748 PolarHBondContact O-N 3.43Å; V1744-T1748 VanDerWaalsContact O-N 3.09Å; V1744-T1748 PolarHBondContact O-OG1 3.08Å; S1746-T1748 PolarHBondContact O-N 2.74Å; T1748-L1752 HydrophobicContact CG2-CD1 4.08Å; T1748-L1752 WeakPolarHBondContact O-CB 3.43Å; T1748-L1752 WeakPolarHBondContact O-CD1 3.37Å; T1748-L1752 VanDerWaalsContact O-CG 3.27Å; T1748-L1752 WeakPolarHBondContact O-CG 3.41Å; T1748-L1752 PolarHBondContact O-N 2.93Å
1749K60.3Low52.3Low149 Ų14995 Ų9565%0.64847%0.474SS*.Hα-helixtrans-69.2-40.3179-175.9-170.9173.6-165.40112.5Q1745 S1746 S1747 H1753Q1745-K1749 WeakPolarHBondContact O-CB 3.27Å; Q1745-K1749 PolarHBondContact O-N 3.47Å; Q1745-K1749 VanDerWaalsContact O-N 3.12Å; S1746-K1749 WeakPolarHBondContact O-CB 3.08Å; S1746-K1749 PolarHBondContact O-N 3.31Å; S1747-K1749 VanDerWaalsContact C-N 3.25Å; S1747-K1749 PolarHBondContact O-N 3.37Å; K1749-H1753 WeakPolarHBondContact O-CB 3.33Å; K1749-H1753 PolarHBondContact O-N 3.19Å; K1749-H1753 VanDerWaalsContact O-N 3.12Å
1750Y54.2Low53.5Low144 Ų14493.2 Ų93.257%0.56546%0.464SS*.Hα-helixtrans-69.5-51.6178-70.8-69.1000111.4S1746 S1747 L1752 H1753 D1754S1746-Y1750 WeakPolarHBondContact O-CD2 3.33Å; S1746-Y1750 PolarHBondContact O-N 2.98Å; S1746-Y1750 VanDerWaalsContact O-N 3.08Å; S1747-Y1750 PolarHBondContact O-N 3.21Å; Y1750-L1752 PolarHBondContact O-N 3.46Å; Y1750-L1752 VanDerWaalsContact O-N 3.13Å; Y1750-H1753 WeakPolarHBondContact O-CA 3.43Å; Y1750-H1753 WeakPolarHBondContact O-CB 3.31Å; Y1750-H1753 PolarHBondContact O-N 3.14Å; Y1750-D1754 VanDerWaalsContact O-CG 3.3Å; Y1750-D1754 PolarHBondContact O-N 3.45Å
1751A54.2Low54.5Low30 Ų3090 Ų9025%0.24845%0.452CS..Hα-helixtrans-57.6-34.1179.100000113.4L1550 S1747 T1755L1550-A1751 HydrophobicContact CD2-CB 4.32Å; S1747-A1751 PolarHBondContact O-N 2.86Å; S1747-A1751 VanDerWaalsContact O-N 3.13Å; A1751-T1755 WeakPolarHBondContact O-CB 3.33Å; A1751-T1755 PolarHBondContact O-N 3.19Å; A1751-T1755 PolarHBondContact O-OG1 3.36Å
1752L59.3Low55.2Low62 Ų6283.1 Ų83.133%0.32543%0.429SS..Hα-helixtrans-69.9-39.2171-75.3173.3000112.8L1713 T1748 Y1750 T1755 F1756L1713-L1752 HydrophobicContact CD2-CD2 4.03Å; T1748-L1752 HydrophobicContact CG2-CD1 4.08Å; T1748-L1752 WeakPolarHBondContact O-CB 3.43Å; T1748-L1752 WeakPolarHBondContact O-CD1 3.37Å; T1748-L1752 VanDerWaalsContact O-CG 3.27Å; T1748-L1752 WeakPolarHBondContact O-CG 3.41Å; T1748-L1752 PolarHBondContact O-N 2.93Å; Y1750-L1752 PolarHBondContact O-N 3.46Å; Y1750-L1752 VanDerWaalsContact O-N 3.13Å; L1752-T1755 WeakPolarHBondContact O-CB 3.48Å; L1752-T1755 PolarHBondContact O-N 3.44Å; L1752-F1756 WeakPolarHBondContact O-CD2 3.39Å; L1752-F1756 PolarHBondContact O-N 2.88Å
1753H66Low56.3Low101 Ų10182.1 Ų82.147%0.46842%0.424SS..Hα-helixtrans-62.6-46.6178.3-173.511.8000111.7K1749 Y1750 T1755 F1756 E1757K1749-H1753 WeakPolarHBondContact O-CB 3.33Å; K1749-H1753 PolarHBondContact O-N 3.19Å; K1749-H1753 VanDerWaalsContact O-N 3.12Å; Y1750-H1753 WeakPolarHBondContact O-CA 3.43Å; Y1750-H1753 WeakPolarHBondContact O-CB 3.31Å; Y1750-H1753 PolarHBondContact O-N 3.14Å; H1753-T1755 VanDerWaalsContact C-N 3.32Å; H1753-T1755 PolarHBondContact O-N 2.77Å; H1753-F1756 PolarHBondContact O-N 2.78Å; H1753-F1756 VanDerWaalsContact O-N 3.08Å; H1753-E1757 PolarHBondContact O-N 3.42Å
1754D62.7Low57.5Low88 Ų8883 Ų8347%0.47142%0.424SS..Hα-helixtrans-64.4-40.3180-51.6-30.1000110.4Y1750 F1756 E1757 N1758Y1750-D1754 VanDerWaalsContact O-CG 3.3Å; Y1750-D1754 PolarHBondContact O-N 3.45Å; D1754-F1756 VanDerWaalsContact C-N 3.33Å; D1754-F1756 PolarHBondContact O-N 3.39Å; D1754-E1757 PolarHBondContact O-N 3.28Å; D1754-N1758 WeakPolarHBondContact O-CB 3.48Å; D1754-N1758 PolarHBondContact O-N 2.94Å; D1754-N1758 PolarHBondContact O-ND2 3.47Å
1755T57.6Low58.1Low38 Ų3880.9 Ų80.923%0.23341%0.409CS..Hα-helixtrans-58-41.7171.4-61.60000112.2L1709 A1751 L1752 H1753 M1759L1709-T1755 HydrophobicContact CD1-CG2 3.85Å; A1751-T1755 WeakPolarHBondContact O-CB 3.33Å; A1751-T1755 PolarHBondContact O-N 3.19Å; A1751-T1755 PolarHBondContact O-OG1 3.36Å; L1752-T1755 WeakPolarHBondContact O-CB 3.48Å; L1752-T1755 PolarHBondContact O-N 3.44Å; H1753-T1755 VanDerWaalsContact C-N 3.32Å; H1753-T1755 PolarHBondContact O-N 2.77Å; T1755-M1759 WeakPolarHBondContact O-CB 3.41Å; T1755-M1759 PolarHBondContact O-N 2.83Å; T1755-M1759 VanDerWaalsContact O-N 3.08Å
1756F60.7Low59.2Low125 Ų12578.2 Ų78.255%0.54840%0.399SS..Hα-helixtrans-71.1-39178.6-85.3-62.9000113.1L1752 H1753 D1754 M1759 K1760L1752-F1756 WeakPolarHBondContact O-CD2 3.39Å; L1752-F1756 PolarHBondContact O-N 2.88Å; H1753-F1756 PolarHBondContact O-N 2.78Å; H1753-F1756 VanDerWaalsContact O-N 3.08Å; D1754-F1756 VanDerWaalsContact C-N 3.33Å; D1754-F1756 PolarHBondContact O-N 3.39Å; F1756-M1759 HydrophobicContact CD1-CE 4.03Å; F1756-M1759 HydrophobicContact CE1-CE 4.15Å; F1756-M1759 PolarHBondContact O-N 3.41Å; F1756-K1760 VanDerWaalsContact O-CB 3.32Å; F1756-K1760 WeakPolarHBondContact O-CB 3.46Å; F1756-K1760 PolarHBondContact O-N 3.06Å
1757E68.2Low60.4Low81 Ų8181.1 Ų81.138%0.37941%0.407SS..Hα-helixtrans-69.2-39.5176.9-72.2-64.5137.100111.6H1753 D1754 M1759 K1760 A1761H1753-E1757 PolarHBondContact O-N 3.42Å; D1754-E1757 PolarHBondContact O-N 3.28Å; E1757-M1759 PolarHBondContact O-N 3.14Å; E1757-K1760 WeakPolarHBondContact O-CB 3.43Å; E1757-K1760 PolarHBondContact O-N 3.25Å; E1757-K1760 WeakPolarHBondContact OE1-CD 3.39Å; E1757-K1760 IonicContact OE1-NZ 2.85Å; E1757-K1760 PolarHBondContact OE1-NZ 3.19Å; E1757-K1760 WeakPolarHBondContact OE2-CD 3.19Å; E1757-K1760 WeakPolarHBondContact OE2-CE 3.49Å; E1757-K1760 IonicContact OE2-NZ 3.09Å; E1757-K1760 PolarHBondContact OE2-NZ 2.81Å; E1757-A1761 PolarHBondContact O-N 3.36Å
1758N61.1Low61.1Low68 Ų6881.3 Ų81.336%0.36441%0.406SS..Hα-helixtrans-60.6-43.3171.2-75.9-24.8000112.3D1754 K1760 A1761 V1762D1754-N1758 WeakPolarHBondContact O-CB 3.48Å; D1754-N1758 PolarHBondContact O-N 2.94Å; D1754-N1758 PolarHBondContact O-ND2 3.47Å; N1758-K1760 VanDerWaalsContact C-N 3.3Å; N1758-K1760 PolarHBondContact O-N 3.17Å; N1758-A1761 PolarHBondContact O-N 3.35Å; N1758-V1762 WeakPolarHBondContact O-CG2 3.45Å; N1758-V1762 PolarHBondContact O-N 3.08Å; N1758-V1762 VanDerWaalsContact O-N 3.07Å
1759M55.9Low61.3Low108 Ų10881.2 Ų81.253%0.53241%0.405SS..Hα-helixtrans-62.3-36.9175.6-168.6-165.4-50.200112.4T1755 F1756 E1757 N1763T1755-M1759 WeakPolarHBondContact O-CB 3.41Å; T1755-M1759 PolarHBondContact O-N 2.83Å; T1755-M1759 VanDerWaalsContact O-N 3.08Å; F1756-M1759 HydrophobicContact CD1-CE 4.03Å; F1756-M1759 HydrophobicContact CE1-CE 4.15Å; F1756-M1759 PolarHBondContact O-N 3.41Å; E1757-M1759 PolarHBondContact O-N 3.14Å; M1759-N1763 WeakPolarHBondContact O-CB 3.39Å; M1759-N1763 PolarHBondContact O-N 3.28Å; M1759-N1763 VanDerWaalsContact O-N 3.08Å
1760K66.4Low61.2Low99 Ų9975.4 Ų75.443%0.4339%0.387SS..Hα-helixtrans-69.8-38.9176.9171.3-176.6163.7-1510111.8F1756 E1757 N1758 N1763 Q1764F1756-K1760 VanDerWaalsContact O-CB 3.32Å; F1756-K1760 WeakPolarHBondContact O-CB 3.46Å; F1756-K1760 PolarHBondContact O-N 3.06Å; E1757-K1760 WeakPolarHBondContact O-CB 3.43Å; E1757-K1760 PolarHBondContact O-N 3.25Å; E1757-K1760 WeakPolarHBondContact OE1-CD 3.39Å; E1757-K1760 IonicContact OE1-NZ 2.85Å; E1757-K1760 PolarHBondContact OE1-NZ 3.19Å; E1757-K1760 WeakPolarHBondContact OE2-CD 3.19Å; E1757-K1760 WeakPolarHBondContact OE2-CE 3.49Å; E1757-K1760 IonicContact OE2-NZ 3.09Å; E1757-K1760 PolarHBondContact OE2-NZ 2.81Å; N1758-K1760 VanDerWaalsContact C-N 3.3Å; N1758-K1760 PolarHBondContact O-N 3.17Å; K1760-N1763 PolarHBondContact O-N 2.87Å; K1760-Q1764 WeakPolarHBondContact O-CG 3.35Å; K1760-Q1764 PolarHBondContact O-N 3.3Å
1761A62.1Low61.4Low38 Ų3875.4 Ų75.431%0.31439%0.39SS..Hα-helixtrans-62.4-47.8172.500000112E1757 N1758 N1763 Q1764 Q1765E1757-A1761 PolarHBondContact O-N 3.36Å; N1758-A1761 PolarHBondContact O-N 3.35Å; A1761-N1763 VanDerWaalsContact C-N 3.29Å; A1761-N1763 PolarHBondContact O-N 3.22Å; A1761-Q1764 PolarHBondContact O-N 3.01Å; A1761-Q1764 VanDerWaalsContact O-N 3.12Å; A1761-Q1765 PolarHBondContact O-N 3.41Å
1762V60.3Low61.1Low26 Ų2677.8 Ų77.816%0.15840%0.398CS..Hα-helixtrans-59.3-39.3175.6172.70000111.6N1758 Q1765 L1766 I1813N1758-V1762 WeakPolarHBondContact O-CG2 3.45Å; N1758-V1762 PolarHBondContact O-N 3.08Å; N1758-V1762 VanDerWaalsContact O-N 3.07Å; V1762-Q1765 PolarHBondContact O-N 3.11Å; V1762-L1766 HydrophobicContact CG1-CD1 4.1Å; V1762-L1766 WeakPolarHBondContact O-CG 3.41Å; V1762-L1766 PolarHBondContact O-N 3.49Å; V1762-I1813 HydrophobicContact CG2-CD1 4.11Å
1763N63.7Low60.5Low89 Ų8977.8 Ų77.848%0.47640%0.399SS..Hα-helixtrans-64.6-41.2175.5-169.6-18.7000112.1M1759 K1760 A1761 L1766 Q1767M1759-N1763 WeakPolarHBondContact O-CB 3.39Å; M1759-N1763 PolarHBondContact O-N 3.28Å; M1759-N1763 VanDerWaalsContact O-N 3.08Å; K1760-N1763 PolarHBondContact O-N 2.87Å; A1761-N1763 VanDerWaalsContact C-N 3.29Å; A1761-N1763 PolarHBondContact O-N 3.22Å; N1763-L1766 PolarHBondContact O-N 3.37Å; N1763-Q1767 WeakPolarHBondContact O-CG 3.37Å; N1763-Q1767 PolarHBondContact O-N 2.98Å; N1763-Q1767 PolarHBondContact OD1-NE2 3.41Å
1764Q68.6Low59.8Low116 Ų11680.2 Ų80.254%0.54241%0.408SS..Hα-helixtrans-63.1-43.9174.2-71.3178.15.400112.2K1760 A1761 L1766 Q1767 V1768K1760-Q1764 WeakPolarHBondContact O-CG 3.35Å; K1760-Q1764 PolarHBondContact O-N 3.3Å; A1761-Q1764 PolarHBondContact O-N 3.01Å; A1761-Q1764 VanDerWaalsContact O-N 3.12Å; Q1764-L1766 PolarHBondContact O-N 3.06Å; Q1764-Q1767 WeakPolarHBondContact O-CB 3.48Å; Q1764-Q1767 PolarHBondContact O-N 3.08Å; Q1764-Q1767 VanDerWaalsContact O-N 3.14Å; Q1764-V1768 PolarHBondContact O-N 2.87Å
1765Q57.5Low58.8Low39 Ų3979.4 Ų79.418%0.18241%0.409CS..Hα-helixtrans-59.9-44.4175.5-70.1177.8-7.100111.7A1761 V1762 Q1767 V1768 V1769 F1810 I1811A1761-Q1765 PolarHBondContact O-N 3.41Å; V1762-Q1765 PolarHBondContact O-N 3.11Å; Q1765-Q1767 VanDerWaalsContact C-N 3.29Å; Q1765-Q1767 PolarHBondContact O-N 3.48Å; Q1765-V1768 PolarHBondContact O-N 2.9Å; Q1765-V1768 VanDerWaalsContact O-N 3.15Å; Q1765-V1769 WeakPolarHBondContact O-CG2 3.24Å; Q1765-V1769 PolarHBondContact O-N 3.13Å; Q1765-F1810 HydrophobicContact CB-CE1 4.26Å; Q1765-F1810 HydrophobicContact CG-CD1 4.15Å; Q1765-F1810 HydrophobicContact CG-CE1 4.22Å; Q1765-I1811 PolarHBondContact NE2-O 2.98Å
1766L67.1Low58Low83 Ų8385.1 Ų85.144%0.43543%0.431SS..Hα-helixtrans-62.9-32.4175-72169.8000113V1762 N1763 Q1764 G1770V1762-L1766 HydrophobicContact CG1-CD1 4.1Å; V1762-L1766 WeakPolarHBondContact O-CG 3.41Å; V1762-L1766 PolarHBondContact O-N 3.49Å; N1763-L1766 PolarHBondContact O-N 3.37Å; Q1764-L1766 PolarHBondContact O-N 3.06Å; L1766-G1770 PolarHBondContact O-N 3.23Å
1767Q66.1Low56.9Low109 Ų10985.8 Ų85.851%0.50944%0.44SS..Hα-helixtrans-71.1-34.8173-72.117544.600112.8N1763 Q1764 Q1765 G1770 K1771N1763-Q1767 WeakPolarHBondContact O-CG 3.37Å; N1763-Q1767 PolarHBondContact O-N 2.98Å; N1763-Q1767 PolarHBondContact OD1-NE2 3.41Å; Q1764-Q1767 WeakPolarHBondContact O-CB 3.48Å; Q1764-Q1767 PolarHBondContact O-N 3.08Å; Q1764-Q1767 VanDerWaalsContact O-N 3.14Å; Q1765-Q1767 VanDerWaalsContact C-N 3.29Å; Q1765-Q1767 PolarHBondContact O-N 3.48Å; Q1767-G1770 PolarHBondContact O-N 2.83Å; Q1767-K1771 WeakPolarHBondContact O-CG 3.32Å; Q1767-K1771 PolarHBondContact O-N 3.11Å
1768V59.4Low55.5Low64 Ų6485.7 Ų85.739%0.38844%0.442SS..Hα-helixtrans-66.5-47.9173.51740000110.4Q1764 Q1765 G1770 K1771 L1772 F1810Q1764-V1768 PolarHBondContact O-N 2.87Å; Q1765-V1768 PolarHBondContact O-N 2.9Å; Q1765-V1768 VanDerWaalsContact O-N 3.15Å; V1768-G1770 VanDerWaalsContact C-N 3.27Å; V1768-G1770 PolarHBondContact O-N 2.94Å; V1768-K1771 WeakPolarHBondContact O-CB 3.42Å; V1768-K1771 PolarHBondContact O-N 3.47Å; V1768-K1771 VanDerWaalsContact O-N 3.07Å; V1768-L1772 HydrophobicContact CG1-CD1 3.99Å; V1768-L1772 PolarHBondContact O-N 3.4Å; V1768-F1810 HydrophobicContact CB-CZ 4.4Å; V1768-F1810 HydrophobicContact CG1-CE2 4.3Å; V1768-F1810 HydrophobicContact CG1-CZ 3.85Å
1769V55.8Low54.5Low48 Ų4888.1 Ų88.129%0.29146%0.455SS..Hα-helixtrans-58.2-40.3173.1173.80000111.3Q1765 K1771 L1772 L1773Q1765-V1769 WeakPolarHBondContact O-CG2 3.24Å; Q1765-V1769 PolarHBondContact O-N 3.13Å; V1769-K1771 VanDerWaalsContact C-N 3.35Å; V1769-K1771 PolarHBondContact O-N 3.32Å; V1769-L1772 PolarHBondContact O-N 2.73Å; V1769-L1773 HydrophobicContact CG1-CD1 3.71Å; V1769-L1773 HydrophobicContact CG1-CG 4.29Å; V1769-L1773 WeakPolarHBondContact O-CB 3.4Å; V1769-L1773 WeakPolarHBondContact O-CG 3.48Å; V1769-L1773 PolarHBondContact O-N 3.44Å
1770G58Low53.8Low27 Ų2788.9 Ų88.928%0.27846%0.462SS..Hα-helixtrans-65-31.7174.900000114.5L1766 Q1767 V1768 F1774L1766-G1770 PolarHBondContact O-N 3.23Å; Q1767-G1770 PolarHBondContact O-N 2.83Å; V1768-G1770 VanDerWaalsContact C-N 3.27Å; V1768-G1770 PolarHBondContact O-N 2.94Å; G1770-F1774 WeakPolarHBondContact O-CB 3.42Å; G1770-F1774 WeakPolarHBondContact O-CD2 3.49Å; G1770-F1774 PolarHBondContact O-N 3.25Å
1771K57.9Low52.7Low145 Ų14588.1 Ų88.163%0.6346%0.461SS*.Hα-helixtrans-71.5-47.3171.9-73.7171.3-179.4-179.70111.1Q1767 V1768 V1769 L1773 F1774 S1775Q1767-K1771 WeakPolarHBondContact O-CG 3.32Å; Q1767-K1771 PolarHBondContact O-N 3.11Å; V1768-K1771 WeakPolarHBondContact O-CB 3.42Å; V1768-K1771 PolarHBondContact O-N 3.47Å; V1768-K1771 VanDerWaalsContact O-N 3.07Å; V1769-K1771 VanDerWaalsContact C-N 3.35Å; V1769-K1771 PolarHBondContact O-N 3.32Å; K1771-L1773 PolarHBondContact O-N 3.31Å; K1771-F1774 PolarHBondContact O-N 3.22Å; K1771-S1775 WeakPolarHBondContact O-CB 3.19Å; K1771-S1775 PolarHBondContact O-N 2.84Å
1772L49.2Very low51.6Low79 Ų7989.3 Ų89.341%0.41446%0.464SS..Hα-helixtrans-59.2-44.9179.2-73.5162.7000112.1V1768 V1769 F1803 L1807V1768-L1772 HydrophobicContact CG1-CD1 3.99Å; V1768-L1772 PolarHBondContact O-N 3.4Å; V1769-L1772 PolarHBondContact O-N 2.73Å; L1772-F1803 HydrophobicContact CD2-CE2 3.66Å; L1772-F1803 HydrophobicContact CD2-CZ 4.13Å; L1772-L1807 HydrophobicContact CD1-CD2 4.03Å
1773L45.9Very low50.4Low63 Ų6392.7 Ų92.733%0.3348%0.482SS..Hα-helixtrans-82.1-21.7-177-66.2176.3000114.8M1691 V1769 K1771M1691-L1773 HydrophobicContact CE-CD2 4.49Å; M1691-L1773 HydrophobicContact SD-CD2 4.48Å; V1769-L1773 HydrophobicContact CG1-CD1 3.71Å; V1769-L1773 HydrophobicContact CG1-CG 4.29Å; V1769-L1773 WeakPolarHBondContact O-CB 3.4Å; V1769-L1773 WeakPolarHBondContact O-CG 3.48Å; V1769-L1773 PolarHBondContact O-N 3.44Å; K1771-L1773 PolarHBondContact O-N 3.31Å
1774F51Low49.3Very low151 Ų15193.2 Ų93.266%0.66248%0.482SS*.Hα-helixtrans-137.14.8-167.8-50-63.9000116.4G1770 K1771 K1776G1770-F1774 WeakPolarHBondContact O-CB 3.42Å; G1770-F1774 WeakPolarHBondContact O-CD2 3.49Å; G1770-F1774 PolarHBondContact O-N 3.25Å; K1771-F1774 PolarHBondContact O-N 3.22Å; F1774-K1776 PolarHBondContact O-N 3.06Å
1775S42.7Very low48.1Very low71 Ų7191.7 Ų91.750%0.49748%0.477SS..  trans-65.5122.4176.2-172.10000111.2K1771K1771-S1775 WeakPolarHBondContact O-CB 3.19Å; K1771-S1775 PolarHBondContact O-N 2.84Å
1776K41.6Very low47.3Very low159 Ų15994.4 Ų94.469%0.69149%0.492SS*.  trans-121.95.9-168.1-154.7158.9-170.1142.30114.5F1774F1774-K1776 PolarHBondContact O-N 3.06Å
1777N37.6Very low46.1Very low138 Ų13896.3 Ų96.374%0.73850%0.499SS*.  trans-131.531.9-165.9-69.717.1000113
1778N38.5Very low45.2Very low80 Ų8093.2 Ų93.243%0.42849%0.485SS..  trans-10474.3177.9-74.6-14.6000110.7N1780 I1781 T1782N1778-N1780 PolarHBondContact O-N 2.92Å; N1778-I1781 HydrophobicContact CB-CB 3.81Å; N1778-I1781 HydrophobicContact CB-CD1 4.04Å; N1778-I1781 HydrophobicContact CB-CG1 3.85Å; N1778-I1781 WeakPolarHBondContact ND2-CD1 3.34Å; N1778-I1781 PolarHBondContact O-N 2.98Å; N1778-T1782 PolarHBondContact O-N 3.12Å; N1778-T1782 PolarHBondContact O-OG1 3.44Å; N1778-T1782 VanDerWaalsContact O-OG1 3.05Å
1779D38.7Very low44.4Very low118 Ų11896.1 Ų96.163%0.63150%0.499SS*.Hα-helixtrans-62.3-24.1174.8-62-16.6000111.6T1782 N1783D1779-T1782 VanDerWaalsContact CA-OG1 3.3Å; D1779-T1782 WeakPolarHBondContact CA-OG1 3.39Å; D1779-T1782 PolarHBondContact O-OG1 3.29Å; D1779-N1783 PolarHBondContact O-N 2.73Å; D1779-N1783 PolarHBondContact O-ND2 3.3Å
1780N42.2Very low43.7Very low125 Ų125100.8 Ų100.867%0.66852%0.522SS*.Hα-helixtrans-72.6-44.6169.4-72.99.1000112.1N1778 T1782 N1783 E1784N1778-N1780 PolarHBondContact O-N 2.92Å; N1780-T1782 VanDerWaalsContact C-N 3.32Å; N1780-T1782 PolarHBondContact O-N 2.84Å; N1780-N1783 CarbonylContact O-C 3.29Å; N1780-N1783 PolarHBondContact O-N 3.23Å; N1780-N1783 VanDerWaalsContact O-N 3.16Å; N1780-E1784 PolarHBondContact O-N 3.22Å
1781I42.6Very low43.1Very low83 Ų83100.8 Ų100.843%0.42652%0.52SS..Hα-helixtrans-69.2-31.2178.4-58.6-174.9000110.9N1778 E1784 L1785N1778-I1781 HydrophobicContact CB-CB 3.81Å; N1778-I1781 HydrophobicContact CB-CD1 4.04Å; N1778-I1781 HydrophobicContact CB-CG1 3.85Å; N1778-I1781 WeakPolarHBondContact ND2-CD1 3.34Å; N1778-I1781 PolarHBondContact O-N 2.98Å; I1781-E1784 CarbonylContact O-C 3.5Å; I1781-E1784 PolarHBondContact O-N 3.27Å; I1781-L1785 HydrophobicContact CG2-CD1 3.88Å; I1781-L1785 HydrophobicContact CG2-CG 4.16Å; I1781-L1785 VanDerWaalsContact O-CB 3.31Å; I1781-L1785 WeakPolarHBondContact O-CB 3.41Å; I1781-L1785 VanDerWaalsContact O-CG 3.27Å; I1781-L1785 WeakPolarHBondContact O-CG 3.41Å; I1781-L1785 PolarHBondContact O-N 3.19Å
1782T38.7Very low43Very low62 Ų6298 Ų9838%0.3852%0.515SS..Hα-helixtrans-69.3-3317133.90000112.8N1778 D1779 N1780 E1784 L1785 N1786N1778-T1782 PolarHBondContact O-N 3.12Å; N1778-T1782 PolarHBondContact O-OG1 3.44Å; N1778-T1782 VanDerWaalsContact O-OG1 3.05Å; D1779-T1782 VanDerWaalsContact CA-OG1 3.3Å; D1779-T1782 WeakPolarHBondContact CA-OG1 3.39Å; D1779-T1782 PolarHBondContact O-OG1 3.29Å; N1780-T1782 VanDerWaalsContact C-N 3.32Å; N1780-T1782 PolarHBondContact O-N 2.84Å; T1782-E1784 VanDerWaalsContact C-N 3.34Å; T1782-L1785 PolarHBondContact O-N 3Å; T1782-N1786 WeakPolarHBondContact O-CB 3.21Å; T1782-N1786 PolarHBondContact O-N 3.01Å; T1782-N1786 PolarHBondContact O-ND2 3.12Å; T1782-N1786 PolarHBondContact O-OD1 3.43Å
1783N36.5Very low42.6Very low98 Ų9898.5 Ų98.552%0.52453%0.525SS..Hα-helixtrans-69.4-29168-77.3-55.3000113D1779 N1780 Q1787D1779-N1783 PolarHBondContact O-N 2.73Å; D1779-N1783 PolarHBondContact O-ND2 3.3Å; N1780-N1783 CarbonylContact O-C 3.29Å; N1780-N1783 PolarHBondContact O-N 3.23Å; N1780-N1783 VanDerWaalsContact O-N 3.16Å; N1783-Q1787 WeakPolarHBondContact O-CG 3.4Å; N1783-Q1787 PolarHBondContact O-N 3.18Å; N1783-Q1787 PolarHBondContact O-NE2 3.42Å
1784E40.5Very low42.3Very low100 Ų10099.8 Ų99.847%0.46754%0.538SS..Hα-helixtrans-82.1-20.7173.6-72.3177.5-156.500114.2N1780 I1781 T1782 I1788 K1799N1780-E1784 PolarHBondContact O-N 3.22Å; I1781-E1784 CarbonylContact O-C 3.5Å; I1781-E1784 PolarHBondContact O-N 3.27Å; T1782-E1784 VanDerWaalsContact C-N 3.34Å; E1784-I1788 WeakPolarHBondContact O-CG1 3.25Å; E1784-I1788 PolarHBondContact O-N 3.38Å; E1784-K1799 PolarHBondContact O-NZ 3.36Å
1785L41.9Very low42.5Very low84 Ų8497.5 Ų97.544%0.4453%0.53SS..Hα-helixtrans-81.3-41.1170.4-78.4162.1000111.6I1781 T1782 Q1787 I1788 D1789I1781-L1785 HydrophobicContact CG2-CD1 3.88Å; I1781-L1785 HydrophobicContact CG2-CG 4.16Å; I1781-L1785 VanDerWaalsContact O-CB 3.31Å; I1781-L1785 WeakPolarHBondContact O-CB 3.41Å; I1781-L1785 VanDerWaalsContact O-CG 3.27Å; I1781-L1785 WeakPolarHBondContact O-CG 3.41Å; I1781-L1785 PolarHBondContact O-N 3.19Å; T1782-L1785 PolarHBondContact O-N 3Å; L1785-Q1787 PolarHBondContact O-N 2.92Å; L1785-Q1787 VanDerWaalsContact O-N 3.17Å; L1785-I1788 HydrophobicContact CD2-CD1 3.82Å; L1785-I1788 HydrophobicContact CG-CD1 4.49Å; L1785-I1788 WeakPolarHBondContact O-CA 3.34Å; L1785-I1788 WeakPolarHBondContact O-CB 3.39Å; L1785-I1788 PolarHBondContact O-N 2.76Å; L1785-D1789 PolarHBondContact O-N 3.46Å
1786N41.6Very low42.4Very low96 Ų9699.9 Ų99.951%0.51353%0.529SS..THydrogen-bonded Turntrans-65.1-16.9170.5-66.2-13.3000112.1T1782 N1790T1782-N1786 WeakPolarHBondContact O-CB 3.21Å; T1782-N1786 PolarHBondContact O-N 3.01Å; T1782-N1786 PolarHBondContact O-ND2 3.12Å; T1782-N1786 PolarHBondContact O-OD1 3.43Å; N1786-N1790 PolarHBondContact O-ND2 3.45Å
1787Q42.7Very low43Very low123 Ų12397.6 Ų97.658%0.57552%0.523SS*.THydrogen-bonded Turntrans-86.6-21.4165.7-76.517296.700113.3N1783 L1785 N1790 A1791N1783-Q1787 WeakPolarHBondContact O-CG 3.4Å; N1783-Q1787 PolarHBondContact O-N 3.18Å; N1783-Q1787 PolarHBondContact O-NE2 3.42Å; L1785-Q1787 PolarHBondContact O-N 2.92Å; L1785-Q1787 VanDerWaalsContact O-N 3.17Å; Q1787-N1790 CarbonylContact O-C 3.46Å; Q1787-N1790 PolarHBondContact O-N 3.06Å; Q1787-A1791 WeakPolarHBondContact O-CB 3.27Å; Q1787-A1791 PolarHBondContact O-N 2.84Å
1788I45.7Very low44.2Very low43 Ų4397.3 Ų97.322%0.22152%0.517CS..G310 helixtrans-67.9-37170.3-76.8160.7000111.1E1784 L1785 N1790 A1791 Y1796 K1799E1784-I1788 WeakPolarHBondContact O-CG1 3.25Å; E1784-I1788 PolarHBondContact O-N 3.38Å; L1785-I1788 HydrophobicContact CD2-CD1 3.82Å; L1785-I1788 HydrophobicContact CG-CD1 4.49Å; L1785-I1788 WeakPolarHBondContact O-CA 3.34Å; L1785-I1788 WeakPolarHBondContact O-CB 3.39Å; L1785-I1788 PolarHBondContact O-N 2.76Å; I1788-N1790 PolarHBondContact O-N 3.05Å; I1788-A1791 WeakPolarHBondContact O-CB 3.37Å; I1788-A1791 PolarHBondContact O-N 2.92Å; I1788-Y1796 HydrophobicContact CG2-CD2 3.81Å; I1788-Y1796 HydrophobicContact CG2-CE2 4.27Å; I1788-K1799 HydrophobicContact CD1-CD 3.68Å; I1788-K1799 HydrophobicContact CG1-CD 3.83Å
1789D43Very low45.1Very low126 Ų12696.6 Ų96.667%0.67451%0.51SS*.G310 helixtrans-58.7-15.5172.8-81.96.9000113.9L1785L1785-D1789 PolarHBondContact O-N 3.46Å
1790N41.9Very low45.5Very low145 Ų14594.4 Ų94.478%0.77550%0.498SS*.G310 helixtrans-121.96.8175.7-65.2-86.1000113N1786 Q1787 I1788N1786-N1790 PolarHBondContact O-ND2 3.45Å; Q1787-N1790 CarbonylContact O-C 3.46Å; Q1787-N1790 PolarHBondContact O-N 3.06Å; I1788-N1790 PolarHBondContact O-N 3.05Å
1791A44.8Very low46.5Very low28 Ų2893.7 Ų93.723%0.23149%0.491CS..  trans-75.4146.8-176.600000111.1Q1787 I1788 E1795Q1787-A1791 WeakPolarHBondContact O-CB 3.27Å; Q1787-A1791 PolarHBondContact O-N 2.84Å; I1788-A1791 WeakPolarHBondContact O-CB 3.37Å; I1788-A1791 PolarHBondContact O-N 2.92Å; A1791-E1795 HydrophobicContact CB-CB 3.94Å
1792T55.2Low47.3Very low85 Ų8595.4 Ų95.452%0.52150%0.497SS..  trans-68.3154.2165.555.70000110.3C1794 E1795 Y1796T1792-C1794 PolarHBondContact O-N 3.09Å; T1792-E1795 PolarHBondContact N-OE2 3.34Å; T1792-E1795 WeakPolarHBondContact O-CB 3.17Å; T1792-E1795 PolarHBondContact O-N 2.85Å; T1792-E1795 PolarHBondContact OG1-OE2 3.49Å; T1792-Y1796 PolarHBondContact O-N 3.25Å
1793S40.5Very low47.7Very low90 Ų9097 Ų9763%0.62950%0.499SS*.Hα-helixtrans-55.9-29.9-177.149.90000113.5L1797S1793-L1797 WeakPolarHBondContact O-CG 2.94Å; S1793-L1797 PolarHBondContact O-N 2.71Å; S1793-L1797 VanDerWaalsContact O-N 3.12Å
1794C41.3Very low48.2Very low90 Ų9095.6 Ų95.661%0.60849%0.491SS*.Hα-helixtrans-65.8-40.5173.7-580000113.1T1792 L1797 H1798T1792-C1794 PolarHBondContact O-N 3.09Å; C1794-L1797 PolarHBondContact O-N 3.43Å; C1794-H1798 WeakPolarHBondContact O-CB 3.39Å; C1794-H1798 PolarHBondContact O-N 2.89Å
1795E53.3Low49Very low104 Ų10496.2 Ų96.249%0.48649%0.494SS..Hα-helixtrans-71.1-32.5178.2-70.3168117.800111.9A1791 T1792 K1799A1791-E1795 HydrophobicContact CB-CB 3.94Å; T1792-E1795 PolarHBondContact N-OE2 3.34Å; T1792-E1795 WeakPolarHBondContact O-CB 3.17Å; T1792-E1795 PolarHBondContact O-N 2.85Å; T1792-E1795 PolarHBondContact OG1-OE2 3.49Å; E1795-K1799 PolarHBondContact O-N 3.02Å
1796Y42.5Very low49.3Very low121 Ų12198.4 Ų98.448%0.47550%0.502SS..Hα-helixtrans-62.4-52170.7180-103.7000111.1I1788 T1792 H1798 K1799 L1800I1788-Y1796 HydrophobicContact CG2-CD2 3.81Å; I1788-Y1796 HydrophobicContact CG2-CE2 4.27Å; T1792-Y1796 PolarHBondContact O-N 3.25Å; Y1796-H1798 PolarHBondContact O-N 2.82Å; Y1796-K1799 PolarHBondContact O-N 3.09Å; Y1796-L1800 HydrophobicContact CD1-CD1 4.34Å; Y1796-L1800 HydrophobicContact CE1-CD1 3.58Å; Y1796-L1800 PolarHBondContact O-N 2.98Å; Y1796-L1800 VanDerWaalsContact O-N 3.08Å
1797L53.8Low49.4Very low110 Ų11095.9 Ų95.958%0.57649%0.488SS*.Hα-helixtrans-58-45178.3-71.8168.3000112S1793 C1794 K1799 L1800 E1801S1793-L1797 WeakPolarHBondContact O-CG 2.94Å; S1793-L1797 PolarHBondContact O-N 2.71Å; S1793-L1797 VanDerWaalsContact O-N 3.12Å; C1794-L1797 PolarHBondContact O-N 3.43Å; L1797-K1799 VanDerWaalsContact C-N 3.32Å; L1797-K1799 PolarHBondContact O-N 2.63Å; L1797-L1800 PolarHBondContact O-N 3.29Å; L1797-L1800 VanDerWaalsContact O-N 3.14Å; L1797-E1801 PolarHBondContact O-N 2.89Å
1798H62.3Low49.4Very low132 Ų13298.6 Ų98.661%0.61150%0.495SS*.Hα-helixtrans-65.3-31.9-178.2-163.3-45.1000113.2C1794 Y1796 Q1802C1794-H1798 WeakPolarHBondContact O-CB 3.39Å; C1794-H1798 PolarHBondContact O-N 2.89Å; Y1796-H1798 PolarHBondContact O-N 2.82Å; H1798-Q1802 PolarHBondContact O-N 3.17Å
1799K56.9Low49.4Very low66 Ų66106.8 Ų106.829%0.28752%0.523SS..Hα-helixtrans-75.1-34.6172.7-74.3-178.7176.91730112.4E1784 I1788 E1795 Y1796 L1797 Q1802 F1803E1784-K1799 PolarHBondContact O-NZ 3.36Å; I1788-K1799 HydrophobicContact CD1-CD 3.68Å; I1788-K1799 HydrophobicContact CG1-CD 3.83Å; E1795-K1799 PolarHBondContact O-N 3.02Å; Y1796-K1799 PolarHBondContact O-N 3.09Å; L1797-K1799 VanDerWaalsContact C-N 3.32Å; L1797-K1799 PolarHBondContact O-N 2.63Å; K1799-Q1802 PolarHBondContact O-N 3.38Å; K1799-F1803 PolarHBondContact O-N 3.02Å; K1799-F1803 VanDerWaalsContact O-N 3.08Å
1800L48.4Very low49Very low71 Ų71103.8 Ų103.837%0.37250%0.504SS..Hα-helixtrans-69.3-37.8176.8-141.1159.2000111.1Y1796 L1797 F1803 N1804Y1796-L1800 HydrophobicContact CD1-CD1 4.34Å; Y1796-L1800 HydrophobicContact CE1-CD1 3.58Å; Y1796-L1800 PolarHBondContact O-N 2.98Å; Y1796-L1800 VanDerWaalsContact O-N 3.08Å; L1797-L1800 PolarHBondContact O-N 3.29Å; L1797-L1800 VanDerWaalsContact O-N 3.14Å; L1800-F1803 PolarHBondContact O-N 3.47Å; L1800-N1804 PolarHBondContact O-N 3Å; L1800-N1804 PolarHBondContact O-ND2 3.25Å
1801E62.2Low49Very low111 Ų111103.4 Ų103.452%0.51950%0.501SS..Hα-helixtrans-62.6-45.8171-169.2-178.4164.800112L1797 F1803 N1804 Q1805L1797-E1801 PolarHBondContact O-N 2.89Å; E1801-F1803 VanDerWaalsContact C-N 3.3Å; E1801-F1803 PolarHBondContact O-N 2.92Å; E1801-N1804 WeakPolarHBondContact O-CB 3.48Å; E1801-N1804 PolarHBondContact O-N 2.96Å; E1801-N1804 VanDerWaalsContact O-N 3.13Å; E1801-Q1805 WeakPolarHBondContact O-CG 3.13Å; E1801-Q1805 PolarHBondContact O-N 3.42Å; E1801-Q1805 PolarHBondContact OE1-NE2 2.87Å
1802Q59.2Low48.5Very low119 Ų119107.2 Ų107.256%0.55652%0.523SS*.Hα-helixtrans-58.6-40.8176.2-173.7180-000112.3H1798 K1799 Q1805 E1806H1798-Q1802 PolarHBondContact O-N 3.17Å; K1799-Q1802 PolarHBondContact O-N 3.38Å; Q1802-Q1805 PolarHBondContact O-N 3.1Å; Q1802-E1806 PolarHBondContact O-N 3.23Å
1803F47.6Very low47.5Very low96 Ų96107.6 Ų107.642%0.42152%0.521SS..Hα-helixtrans-64.2-42.4174.6-177.9-107.4000112.2L1772 K1799 L1800 E1801 Q1805 E1806 L1807L1772-F1803 HydrophobicContact CD2-CE2 3.66Å; L1772-F1803 HydrophobicContact CD2-CZ 4.13Å; K1799-F1803 PolarHBondContact O-N 3.02Å; K1799-F1803 VanDerWaalsContact O-N 3.08Å; L1800-F1803 PolarHBondContact O-N 3.47Å; E1801-F1803 VanDerWaalsContact C-N 3.3Å; E1801-F1803 PolarHBondContact O-N 2.92Å; F1803-Q1805 PolarHBondContact O-N 3.33Å; F1803-E1806 PolarHBondContact O-N 3.01Å; F1803-L1807 HydrophobicContact CD1-CD1 3.93Å; F1803-L1807 HydrophobicContact CE1-CD1 3.55Å; F1803-L1807 HydrophobicContact CE1-CG 4.32Å; F1803-L1807 HydrophobicContact CZ-CD1 4.11Å; F1803-L1807 PolarHBondContact O-N 3.17Å
1804N46.2Very low47.5Very low68 Ų68111.3 Ų111.336%0.36453%0.528SS..Hα-helixtrans-62.2-40.5173.7-79.3-34.7000112.1L1800 E1801 E1806 L1807 Y1808L1800-N1804 PolarHBondContact O-N 3Å; L1800-N1804 PolarHBondContact O-ND2 3.25Å; E1801-N1804 WeakPolarHBondContact O-CB 3.48Å; E1801-N1804 PolarHBondContact O-N 2.96Å; E1801-N1804 VanDerWaalsContact O-N 3.13Å; N1804-E1806 VanDerWaalsContact C-N 3.3Å; N1804-E1806 PolarHBondContact O-N 3.23Å; N1804-L1807 CarbonylContact O-C 3.49Å; N1804-L1807 WeakPolarHBondContact O-CA 3.47Å; N1804-L1807 WeakPolarHBondContact O-CB 3.17Å; N1804-L1807 PolarHBondContact O-N 2.8Å; N1804-Y1808 HydrophobicContact CB-CE2 4.33Å; N1804-Y1808 WeakPolarHBondContact O-CD2 3.14Å; N1804-Y1808 PolarHBondContact O-N 3.31Å
1805Q58.2Low47Very low113 Ų113111.8 Ų111.853%0.52853%0.53SS..Hα-helixtrans-61.5-34.5175.4-69.1178.618.400112.6E1801 Q1802 F1803 Y1808E1801-Q1805 WeakPolarHBondContact O-CG 3.13Å; E1801-Q1805 PolarHBondContact O-N 3.42Å; E1801-Q1805 PolarHBondContact OE1-NE2 2.87Å; Q1802-Q1805 PolarHBondContact O-N 3.1Å; F1803-Q1805 PolarHBondContact O-N 3.33Å; Q1805-Y1808 PolarHBondContact O-N 3.04Å
1806E48.7Very low46.1Very low130 Ų130111 Ų11161%0.60754%0.542SS*.Hα-helixtrans-67.6-39169.3-68.4-155.7130.700112.4Q1802 F1803 N1804 Y1808 R1809Q1802-E1806 PolarHBondContact O-N 3.23Å; F1803-E1806 PolarHBondContact O-N 3.01Å; N1804-E1806 VanDerWaalsContact C-N 3.3Å; N1804-E1806 PolarHBondContact O-N 3.23Å; E1806-Y1808 VanDerWaalsContact C-N 3.25Å; E1806-Y1808 PolarHBondContact O-N 3.12Å; E1806-R1809 PolarHBondContact O-N 3.19Å
1807L42.5Very low45.6Very low42 Ų42112.4 Ų112.422%0.2256%0.557CS.*Hα-helixtrans-70.4-14.3175.7-69178.5000114.7R1534 L1772 F1803 N1804 F1810R1534-L1807 PolarHBondContact NH1-O 3.08Å; R1534-L1807 PolarHBondContact NH2-O 3.19Å; L1772-L1807 HydrophobicContact CD1-CD2 4.03Å; F1803-L1807 HydrophobicContact CD1-CD1 3.93Å; F1803-L1807 HydrophobicContact CE1-CD1 3.55Å; F1803-L1807 HydrophobicContact CE1-CG 4.32Å; F1803-L1807 HydrophobicContact CZ-CD1 4.11Å; F1803-L1807 PolarHBondContact O-N 3.17Å; N1804-L1807 CarbonylContact O-C 3.49Å; N1804-L1807 WeakPolarHBondContact O-CA 3.47Å; N1804-L1807 WeakPolarHBondContact O-CB 3.17Å; N1804-L1807 PolarHBondContact O-N 2.8Å; L1807-F1810 HydrophobicContact CD2-CE2 4.43Å; L1807-F1810 WeakPolarHBondContact O-CD2 3.38Å
1808Y42.8Very low44.8Very low180 Ų180113.3 Ų113.371%0.70656%0.561SS**THydrogen-bonded Turntrans-88.2-10.2172.1-78.7-64.4000114N1804 Q1805 E1806 F1810N1804-Y1808 HydrophobicContact CB-CE2 4.33Å; N1804-Y1808 WeakPolarHBondContact O-CD2 3.14Å; N1804-Y1808 PolarHBondContact O-N 3.31Å; Q1805-Y1808 PolarHBondContact O-N 3.04Å; E1806-Y1808 VanDerWaalsContact C-N 3.25Å; E1806-Y1808 PolarHBondContact O-N 3.12Å; Y1808-F1810 PolarHBondContact O-N 2.8Å
1809R45.5Very low43.4Very low216 Ų216115.2 Ų115.282%0.81557%0.57SS**  trans-74.413.9175.6-71.6-175.8168.1-138.3-3.6114.9E1806E1806-R1809 PolarHBondContact O-N 3.19Å
1810F35Very low42.4Very low62 Ų62119.9 Ų119.927%0.27259%0.592SS.*  trans-88109.5178.4-79.2-102.4000110.9Q1765 V1768 L1807 Y1808Q1765-F1810 HydrophobicContact CB-CE1 4.26Å; Q1765-F1810 HydrophobicContact CG-CD1 4.15Å; Q1765-F1810 HydrophobicContact CG-CE1 4.22Å; V1768-F1810 HydrophobicContact CB-CZ 4.4Å; V1768-F1810 HydrophobicContact CG1-CE2 4.3Å; V1768-F1810 HydrophobicContact CG1-CZ 3.85Å; L1807-F1810 HydrophobicContact CD2-CE2 4.43Å; L1807-F1810 WeakPolarHBondContact O-CD2 3.38Å; Y1808-F1810 PolarHBondContact O-N 2.8Å
1811I41.4Very low41.8Very low138 Ų138124.9 Ų124.971%0.70861%0.614SS**  trans-75130.1179-53175.4000110.2Q1765Q1765-I1811 PolarHBondContact NE2-O 2.98Å
1812P34.7Very low40.5Very low107 Ų107125.4 Ų125.470%0.69563%0.626SS**  trans-63151.9170.8-21.833.9000113.1
1813I35.1Very low39.2Very low93 Ų93125.9 Ų125.948%0.47763%0.633SS.*  trans-93.7103.7173.1-55.6176000108.4V1762V1762-I1813 HydrophobicContact CG2-CD1 4.11Å
1814E39.1Very low38.5Very low169 Ų169128.6 Ų128.679%0.7965%0.65SS**  trans-76.4146.1175.4-66.6-169.215100112.4
1815P31.1Very low37.7Very low99 Ų99131.4 Ų131.464%0.64367%0.665SS**  trans-77.212517431-33.1000111.5N1817P1815-N1817 PolarHBondContact O-N 3.39Å
1816A34.4Very low36.4Very low89 Ų89131.8 Ų131.874%0.73668%0.675SS**  trans-78.488.3-174.100000113I1818A1816-I1818 PolarHBondContact O-N 2.76Å
1817N33.2Very low35.4Very low150 Ų150131.9 Ų131.980%0.80269%0.685SS**  trans-74107.4172.7-109.7-38.5000111.3P1815 H1819P1815-N1817 PolarHBondContact O-N 3.39Å; N1817-H1819 PolarHBondContact O-N 3.07Å; N1817-H1819 VanDerWaalsContact O-N 3.17Å
1818I35.6Very low34.8Very low128 Ų128137.2 Ų137.266%0.65671%0.712SS**  trans-73.9106.2178.5-58.8176000109.8A1816 H1820A1816-I1818 PolarHBondContact O-N 2.76Å; I1818-H1820 WeakPolarHBondContact CG2-CE1 3.48Å; I1818-H1820 WeakPolarHBondContact CG2-ND1 3.4Å
1819H34Very low34.2Very low173 Ų173133.8 Ų133.880%0.80172%0.715SS**  trans-80.6122.9169.3-125.756.6000110N1817N1817-H1819 PolarHBondContact O-N 3.07Å; N1817-H1819 VanDerWaalsContact O-N 3.17Å
1820H36.1Very low33.3Very low163 Ų163129.6 Ų129.676%0.75571%0.713SS**  trans-124.4122.5174.5-86.17.8000110.3I1818I1818-H1820 WeakPolarHBondContact CG2-CE1 3.48Å; I1818-H1820 WeakPolarHBondContact CG2-ND1 3.4Å
1821H35Very low33.1Very low177 Ų177133 Ų13382%0.81974%0.739SS**PPolyproline II helixtrans-74139.8175.6-78.8-79.3000111.1
1822P36Very low32.6Very low121 Ų121132.8 Ų132.879%0.78674%0.74SS**PPolyproline II helixtrans-71.2156.5-177.828.5-34.8000113.6
1823N31.4Very low32.4Very low129 Ų129136.3 Ų136.369%0.6974%0.744SS**PPolyproline II helixtrans-83136.7-164.5-174.5-3.7000113.7
1824I32.3Very low32.2Very low153 Ų153141.4 Ų141.479%0.78576%0.763SS**  trans-112.6102.2165.6-61-179.1000109.1
1825N29.3Very low31.7Very low128 Ų128140.5 Ų140.568%0.68476%0.762SS**  trans-70.8131.1173.3-73.1-67.6000111.3
1826T30.9Very low31.7Very low120 Ų120145 Ų14574%0.73677%0.774SS**  trans-145.7111.9157.6-66.30000110.6
1827T27.4Very low31.4Very low132 Ų132147.4 Ų147.481%0.8177%0.774SS**  trans-88.1120.5-178.3-59.70000110.7
1828I31.5Very low31.3Very low155 Ų155145.3 Ų145.380%0.79577%0.768SS**  trans-131.6121.9160.7-60.5-175.9000109.5
1829S29.6Very low31Very low108 Ų108145.4 Ų145.476%0.75577%0.77SS**  trans-94.2155.3176.6-172.20000111.3
1830T27Very low30.7Very low128 Ų128143.3 Ų143.379%0.78577%0.769SS**  trans-91.8119.4-175.549.60000112.5
1831T29.3Very low30.2Very low132 Ų132142.9 Ų142.981%0.8177%0.773SS**  trans179.5158.4139.421.10000113.9
1832N31.3Very low29.9Very low135 Ų135141 Ų14172%0.72277%0.768SS**  trans71.882.9159.2-66.3-34.8000121.7
1833K30.4Very low29.4Very low180 Ų180144 Ų14478%0.78377%0.771SS**  40.694.6120.7-59.6-179.7-179.8176.70120
1834F31.2Very low29.2Very low201 Ų201143.7 Ų143.788%0.88278%0.779SS**  trans-157.7101135.2-91.9-78.4000105.3
1835I29.4Very low29Very low149 Ų149141.9 Ų141.976%0.76478%0.775SS**  33.483.378.5-46.2-178.2000113.4
1836Q31.3Very low29.1Very low194 Ų194143.7 Ų143.791%0.90778%0.784SS**  trans-148135.9131.5-156148.1-11.700111.2
1837I27.6Very low29.1Very low140 Ų140142.8 Ų142.872%0.71878%0.779SS**  trans-100.6137.9-178.4-70.9162.1000105.4
1838P31.2Very low29.2Very low106 Ų106143.9 Ų143.969%0.68878%0.78SS**  -153.9164.879.439.2-17.6000119.6
1839N28.7Very low29.2Very low130 Ų130143.6 Ų143.670%0.69578%0.775SS**  trans34.7120137.3-48.1-3.8000118.3
1840T26.8Very low29.4Very low128 Ų128144.9 Ų144.979%0.78577%0.769SS**  44.913066.272.70000116.3
1841N26.2Very low29.7Very low155 Ų155146.7 Ų146.783%0.82977%0.768SS**  trans82.7155.9162.2-138.7-5.8000117.3
1842L28.6Very low29.8Very low138 Ų138144.2 Ų144.272%0.72376%0.756SS**  trans7592.4175.2-55.9175.2000118.9
1843Q26.6Very low29.8Very low182 Ų182143.8 Ų143.885%0.8575%0.754SS**  21.6122.9120-64.1167.5-29.900118.8
1844S27Very low29.9Very low123 Ų123140 Ų14086%0.8674%0.738SS**  trans-140.790.6150.564.60000110.5
1845V28.5Very low30Very low115 Ų115134.4 Ų134.470%0.69772%0.72SS**  trans-84.3137.1167.2170.90000108.8T1847V1845-T1847 HydrophobicContact CG1-CG2 3.8Å
1846L31.1Very low30.4Very low167 Ų167130.5 Ų130.587%0.87470%0.7SS**  trans-136.894.2156-71.4170.9000104.8
1847T30.2Very low30.7Very low101 Ų101127.8 Ų127.862%0.6269%0.685SS**  40.8103.973.259.10000114.9V1845V1845-T1847 HydrophobicContact CG1-CG2 3.8Å
1848D28.8Very low31Very low155 Ų155125.6 Ų125.683%0.82968%0.682SS**  trans-162.9133.1136.4-89.6-25.5000105
1849E32.8Very low31.2Very low148 Ų148126.3 Ų126.369%0.69269%0.685SS**  cis-146.1151.56.2-101.5-166.8119.500113.8
1850Q32.9Very low31.5Very low136 Ų136124.7 Ų124.764%0.63668%0.684SS**  trans63.9114.3141.5-67.3-168.241.200125.2
1851H33.4Very low31.8Very low165 Ų165124.6 Ų124.676%0.76468%0.683SS**  trans65.8152.3135.7-63.2-62.8000123.3
1852S31.3Very low32.2Very low80 Ų80121.7 Ų121.756%0.55968%0.675SS**  cis-178.7139.6-45.952.70000112.8
1853N31.6Very low32.5Very low126 Ų126120.2 Ų120.267%0.67467%0.672SS**  trans72.2161.6159.6-56.3-17.4000118.4
1854F33.1Very low32.9Very low102 Ų102117.7 Ų117.745%0.44766%0.664SS.*  cis-158.6-179.1-11-95.6-179.6000107.7I41 N42 S43 S44I41-F1854 HydrophobicContact CG2-CE1 4.42Å; I41-F1854 WeakPolarHBondContact O-CE2 3.15Å; I41-F1854 VanDerWaalsContact O-CZ 3.3Å; I41-F1854 WeakPolarHBondContact O-CZ 3.37Å; N42-F1854 WeakPolarHBondContact O-CA 3.27Å; N42-F1854 WeakPolarHBondContact O-CD2 3.46Å; N42-F1854 WeakPolarHBondContact O-CG 3.29Å; S43-F1854 CarbonylContact C-O 3.57Å; S43-F1854 CarbonylContact O-C 3.24Å; S43-F1854 WeakPolarHBondContact O-CA 3.23Å; S44-F1854 PolarHBondContact N-O 3.45Å; S44-F1854 PolarHBondContact OG-O 3.05Å
1855V33.7Very low33.3Very low83 Ų83119.7 Ų119.750%0.50366%0.66SS.*  cis-162.736.438.784.70000124.9N42 S43 S44N42-V1855 HydrophobicContact CB-CB 4.27Å; N42-V1855 HydrophobicContact CB-CG2 3.82Å; N42-V1855 WeakPolarHBondContact CB-O 3.26Å; N42-V1855 VanDerWaalsContact CG-O 3.25Å; N42-V1855 WeakPolarHBondContact ND2-CG2 3.37Å; N42-V1855 PolarHBondContact ND2-O 3.47Å; S43-V1855 PolarHBondContact O-N 3.25Å; S44-V1855 VanDerWaalsContact N-N 3.11Å; S44-V1855 PolarHBondContact OG-N 2.7Å
1856N37Very low33.5Very low67 Ų67119.3 Ų119.336%0.35866%0.657SS.*  trans69.4-175.6166.9-108.5-2.7000118.1N42 S43N42-N1856 VanDerWaalsContact CA-CB 3.44Å; N42-N1856 HydrophobicContact CB-CB 3.64Å; N42-N1856 PolarHBondContact N-ND2 3.13Å; N42-N1856 WeakPolarHBondContact OD1-CB 3.22Å; N42-N1856 VanDerWaalsContact OD1-CG 3.26Å; N42-N1856 PolarHBondContact OD1-ND2 3.42Å; S43-N1856 VanDerWaalsContact OG-CA 3.28Å; S43-N1856 WeakPolarHBondContact OG-CA 3.37Å; S43-N1856 PolarHBondContact OG-N 3.01Å
1857K37.1Very low33.7Very low136 Ų136118.8 Ų118.859%0.59165%0.653SS**  cis-145.6173.17-148.9151.9-173.5165.70112.6E40E40-K1857 IonicContact OE1-NZ 2.65Å; E40-K1857 PolarHBondContact OE1-NZ 3.16Å
1858S34.1Very low33.8Very low94 Ų94120.6 Ų120.666%0.65766%0.655SS**  trans-50.2173.5178.8-37.90000116.9
1859T36.5Very low33.9Very low121 Ų121119.3 Ų119.374%0.74265%0.649SS**  cis-170.8146.940.3-21.60000113.8
1860S33.3Very low33.8Very low96 Ų96117.9 Ų117.967%0.67165%0.65SS**  trans29.7150.8139.569.80000122.5
1861V34.8Very low33.7Very low126 Ų126117.2 Ų117.276%0.76466%0.655SS**  cis-157.612742.3171.50000112.3
1862S34Very low33.5Very low95 Ų95114.3 Ų114.366%0.66465%0.654SS**  trans34.3145.2133.3-158.60000125.3
1863T34.8Very low33.5Very low106 Ų106115.1 Ų115.165%0.6567%0.665SS**  trans89.7119138.321.70000123.3
1864N34.1Very low33.6Very low129 Ų129116.3 Ų116.369%0.6967%0.671SS**  trans86.4115.2133.2-75.7-10.9000122.9
1865Q35.4Very low33.6Very low166 Ų166118.1 Ų118.178%0.77669%0.685SS**  87126.9123.8-78-171.4-4.800121.8
1866V34Very low33.7Very low106 Ų106119.7 Ų119.764%0.64270%0.695SS**  102.3120.3124.2155.90000120.3
1867M34.6Very low33.4Very low157 Ų157124.5 Ų124.577%0.77372%0.715SS**  trans71.7123.9150.5-82.2-168.9-7000123.1
1868M32.1Very low33.2Very low138 Ų138126.7 Ų126.768%0.6873%0.725SS**  74.2108.3126.3-63.2-73.5-171.300120.7
1869N32.3Very low33.2Very low129 Ų129127.1 Ų127.169%0.6972%0.724SS**  80.1129.5118.6-67.69.1000122.6
1870T29.1Very low33Very low117 Ų117126.7 Ų126.772%0.71872%0.721SS**  trans71.9111.8135.452.50000121.4
1871T30.8Very low33Very low122 Ų122128.5 Ų128.575%0.74872%0.723SS**  87.1146.2120.6-57.30000119
1872S30.4Very low33Very low105 Ų105128.9 Ų128.973%0.73472%0.721SS**  trans62.4112.9174.639.90000115.5
1873A31.2Very low33Very low96 Ų96130.7 Ų130.779%0.79372%0.723SS**  cis79.2161.549.200000114.4
1874L32.9Very low32.8Very low152 Ų152131.4 Ų131.480%0.79673%0.727SS**  trans83.3121.3-178.1-60.8166.6000117.3
1875N33Very low32.6Very low139 Ų139131.9 Ų131.974%0.74373%0.73SS**  trans69.4146.1140.5-65.2-10.4000119
1876T35.5Very low32.5Very low117 Ų117129.9 Ų129.972%0.71873%0.73SS**  cis-145160.77.6-19.30000111
1877H31.2Very low32.3Very low167 Ų167131.9 Ų131.977%0.77374%0.735SS**  trans-47.7151.8156.1-67.4-85.2000111.2
1878F33.4Very low32.1Very low183 Ų183131.1 Ų131.180%0.80373%0.734SS**  -162.4118.7113.4-104.3-65.3000112.8
1879T33.2Very low32.3Very low102 Ų102130.9 Ų130.963%0.62674%0.735SS**  trans53103140.444.50000121.7
1880T33Very low32.2Very low112 Ų112132.5 Ų132.569%0.68774%0.744SS**  67.8131.2111.857.50000122.7
1881D32.5Very low32.6Very low135 Ų135131.6 Ų131.672%0.72274%0.742SS**  trans94.1132.8134-60.3-6.2000121.9
1882D36.5Very low32.5Very low134 Ų134130.2 Ų130.272%0.71774%0.738SS**  trans6391147.6-63.8-13.5000121.2
1883N32.4Very low32.5Very low133 Ų133131.6 Ų131.671%0.71174%0.742SS**  42.4103.6110-69.5-22.2000117.8N1885N1883-N1885 PolarHBondContact O-N 3.22Å
1884T31.1Very low32.4Very low120 Ų120131.3 Ų131.374%0.73673%0.734SS**  34.192125.9590000117.2
1885N30.5Very low32.4Very low140 Ų140135.2 Ų135.275%0.74974%0.739SS**  -159.9105.8125.9-112.8-72.4000113.7N1883 I1887N1883-N1885 PolarHBondContact O-N 3.22Å; N1885-I1887 PolarHBondContact O-N 3.48Å
1886T33.2Very low32.7Very low124 Ų124133.4 Ų133.476%0.76173%0.734SS**  23.890.5119.9-29.30000117.2
1887I29.5Very low32.6Very low147 Ų147134.8 Ų134.875%0.75474%0.737SS**  trans-160.1116.2148.1-91.7133.4000108.6N1885N1885-I1887 PolarHBondContact O-N 3.48Å
1888N31Very low32.7Very low142 Ų142130.7 Ų130.776%0.75973%0.726SS**  trans-16195.2134.4-120.6-34000113N1890N1888-N1890 PolarHBondContact O-N 3.18Å
1889N35Very low32.8Very low132 Ų132130.1 Ų130.171%0.70673%0.726SS**  trans39.780.7131.8-61.6-54.8000117.6
1890N31.5Very low33.1Very low164 Ų164130.4 Ų130.488%0.87773%0.729SS**  trans-71.9132.9143.2-147-16.8000108.1N1888 S1892N1888-N1890 PolarHBondContact O-N 3.18Å; N1890-S1892 PolarHBondContact O-N 3.5Å; N1890-S1892 VanDerWaalsContact O-N 3.13Å
1891S36.4Very low32.9Very low97 Ų97134.3 Ų134.368%0.67874%0.737SS**  trans-76.1107.5-161.158.80000113.4
1892S29.4Very low32.8Very low93 Ų93133.7 Ų133.765%0.6574%0.739SS**  trans49.4137.614061.70000120.8N1890N1890-S1892 PolarHBondContact O-N 3.5Å; N1890-S1892 VanDerWaalsContact O-N 3.13Å
1893T30.3Very low32.4Very low134 Ų134132.4 Ų132.482%0.82274%0.74SS**  trans67.7132157.845.40000117.9
1894S28.6Very low32.4Very low91 Ų91135.5 Ų135.564%0.63675%0.747SS**  cis-172.4142.22.955.10000114.9
1895R34.2Very low32.6Very low234 Ų234134.6 Ų134.688%0.88375%0.746SS**  64.3159.9128.9-75.6-175.8166.7-177-4120.6
1896P38.7Very low33Very low100 Ų100133.8 Ų133.865%0.64975%0.746SS**  cis-147.8177.7-26.739.7-21.2000117
1897L32.5Very low33.4Very low147 Ų147134 Ų13477%0.7775%0.748SS**  trans61.9117.4138.5-75.2159.2000121.7
1898S34.6Very low33.8Very low80 Ų80131.5 Ų131.556%0.55974%0.743SS**  trans-0.4148.5131.363.10000120.4
1899H35.8Very low34.2Very low172 Ų172130.3 Ų130.380%0.79674%0.741SS**  -161.5159.8108.3-100.2-62.7000111.5
1900P39.1Very low34.3Very low107 Ų107129.4 Ų129.470%0.69574%0.74SS**  trans-80.7-172.7177.437-36.4000111.3T1902P1900-T1902 PolarHBondContact O-N 3.29Å
1901F29.1Very low34.5Very low194 Ų194126.9 Ų126.985%0.85173%0.731SS**SBendtrans-45138.5160.8-77.1-100.1000111.9
1902T29.4Very low34.4Very low123 Ų123128.8 Ų128.876%0.75573%0.734SS**SBendtrans64.589.6161.956.30000119.7P1900P1900-T1902 PolarHBondContact O-N 3.29Å
1903S27.9Very low34.5Very low106 Ų106130 Ų13074%0.74174%0.738SS**  74.2132.9128.973.70000123
1904K32.3Very low34.6Very low198 Ų198129.2 Ų129.286%0.86173%0.733SS**  trans8492.5155.8-61.1173.5-179175.10121.4
1905S36.8Very low34.7Very low102 Ų102130.6 Ų130.671%0.71374%0.737SS**  64.5112.8129.1-155.50000123.2
1906T37.8Very low34.5Very low123 Ų123125.1 Ų125.176%0.75573%0.73SS**  trans68.2166.1144.9500000118.1
1907T42Very low34.2Very low129 Ų129126.2 Ų126.279%0.79174%0.735SS**  cis-138.7-108.414.4-350000115
1908S37.2Very low34.3Very low94 Ų94123 Ų12366%0.65772%0.721SS**  trans-168-171.9-164.963.40000112
1909T39.9Very low34.2Very low116 Ų116122.4 Ų122.471%0.71271%0.714SS**  cis-164.614015.5-5.90000113
1910T37.2Very low34.2Very low113 Ų113120.3 Ų120.369%0.69370%0.704SS**  trans67.4122.4140.5-22.60000125.2
1911T35.8Very low34Very low112 Ų112117 Ų11769%0.68768%0.684SS**  trans69.8136.2140.4470000127.5
1912N34.7Very low34.3Very low137 Ų137111.1 Ų111.173%0.73367%0.666SS**  105135.5128.2-80.23.4000124.3
1913T31.4Very low34.6Very low119 Ų119110.6 Ų110.673%0.7366%0.659SS**  trans77.8104143.143.20000124.3
1914T31.8Very low34.8Very low117 Ų117110.9 Ų110.972%0.71865%0.651SS**  92.2142.5117.9-44.40000122.2
1915T30.5Very low34.8Very low119 Ų119109.2 Ų109.273%0.7365%0.646SS**  trans80.193.5156.427.50000122.9
1916V29.4Very low34.7Very low120 Ų120109.2 Ų109.273%0.72764%0.642SS**  81.1122107162.30000122.4
1917T32.5Very low34.6Very low123 Ų123109.8 Ų109.876%0.75564%0.639SS**  trans79.6124.9153.441.10000124.9
1918T34.3Very low34Very low78 Ų78108.2 Ų108.248%0.47963%0.633SS.*  trans87.464.1133.4-480000121.3
1919V32.5Very low33.8Very low68 Ų68110.3 Ų110.341%0.41264%0.636SS.*  80.591.3111.8-179.70000120.8S723 V725S723-V1919 WeakPolarHBondContact O-CG1 3.35Å; S723-V1919 VanDerWaalsContact OG-CG1 3.29Å; S723-V1919 WeakPolarHBondContact OG-CG1 3.27Å; V725-V1919 HydrophobicContact CG2-CG1 4.21Å
1920H36.3Very low33.4Very low129 Ų129110.7 Ų110.760%0.59764%0.638SS**  74159.3104.8-150.331.8000118.1K724 V725K724-H1920 PolarHBondContact NZ-O 2.87Å; V725-H1920 HydrophobicContact CB-CB 4.19Å; V725-H1920 WeakPolarHBondContact CB-CD2 3.33Å; V725-H1920 HydrophobicContact CG1-CB 4.03Å; V725-H1920 WeakPolarHBondContact CG1-CD2 3.44Å; V725-H1920 WeakPolarHBondContact CG1-ND1 3.43Å; V725-H1920 HydrophobicContact CG2-CB 3.43Å; V725-H1920 VanDerWaalsContact CG2-CB 3.43Å; V725-H1920 WeakPolarHBondContact CG2-CD2 3.26Å
1921S34.6Very low33.5Very low37 Ų37108.7 Ų108.726%0.25964%0.64SS.*  trans100.1116.1167.4-142.50000121.2K724 V725K724-S1921 VanDerWaalsContact CE-CB 3.43Å; V725-S1921 VanDerWaalsContact CG1-CA 3.49Å; V725-S1921 VanDerWaalsContact CG2-CB 3.49Å
1922S36.6Very low33.3Very low70 Ų70112.7 Ų112.749%0.4965%0.648SS.*  trans53.9130.114450.20000118.2H726H726-S1922 PolarHBondContact CE1-N 3.42Å; H726-S1922 PolarHBondContact NE2-N 3.48Å
1923N35.7Very low33.3Very low112 Ų112111.5 Ų111.560%0.59965%0.65SS**  cis-154.6171.617.2-133.5-9.8000113.7C727C727-N1923 PolarHBondContact SG-OD1 3.41Å
1924I31.8Very low33.4Very low113 Ų113111.8 Ų111.858%0.57965%0.647SS**  trans-18.4131.2164.1-61.3155.1000116.2T728T728-I1924 HydrophobicContact CG2-CD1 4.1Å; T728-I1924 HydrophobicContact CG2-CG1 4.43Å
1925H32.8Very low33.6Very low162 Ų162111.8 Ų111.875%0.7564%0.643SS**  trans-109.3128.5152.9-116-84.4000105.4
1926V33Very low33.9Very low103 Ų103112.1 Ų112.162%0.62464%0.641SS**  cis54.811949.9-1580000108.9
1927I35.9Very low34.1Very low135 Ų135113.7 Ų113.769%0.69264%0.642SS**  -155.7179.253.8-19.3-179.1000108.8
1928S30.6Very low34.5Very low96 Ų96113.9 Ų113.967%0.67164%0.637SS**  179.9127.981.6-99.80000116.7
1929L33.5Very low34.7Very low138 Ų138115.7 Ų115.772%0.72364%0.643SS**  trans91.799.5132.1-61.9168.6000123.1
1930T31.5Very low35Very low123 Ų123119.9 Ų119.976%0.75566%0.656SS**  86.4130.6120.955.60000123.1
1931G37.8Very low35Very low71 Ų71119.1 Ų119.173%0.73265%0.653SS**  trans156.138.1166.400000115
1932K32.3Very low35.1Very low196 Ų196124.5 Ų124.585%0.85267%0.674SS**  53.5137108.5-80.7-170.4174.9-178.20117.4
1933S34.8Very low35.3Very low112 Ų112127.1 Ų127.178%0.78368%0.682SS**  trans83.6128.1157.4-160.80000116.9
1934N33.8Very low35.5Very low125 Ų125128.3 Ų128.367%0.66869%0.688SS**  cis-167.9169.2-20.9-12736.7000111.1
1935D35.4Very low36Very low118 Ų118130.8 Ų130.863%0.63170%0.696SS**  trans68.1111.3144.6-64.2-27000123.3
1936N36.2Very low36.1Very low126 Ų126128.5 Ų128.567%0.67469%0.69SS**  94.998.8120.9-69.8-24.3000122.7
1937M34.9Very low36.2Very low152 Ų152130.3 Ų130.375%0.74969%0.691SS**  100.6147.4107.5-79-176.6100.100120.9
1938I39.3Very low36Very low127 Ų127131.9 Ų131.965%0.65169%0.69SS**  trans79.182.3150.2-75.3163.4000116.3
1939N38.5Very low36.3Very low116 Ų116141.2 Ų141.262%0.6271%0.713SS**  103.4107.2109.5-78.4-5000120.2
1940K39.5Very low36.4Very low157 Ų157141.4 Ų141.468%0.68371%0.712SS**  86.5142.8113.6-70.5179.2174.8-90.80118.9
1941Q35.7Very low36.7Very low113 Ų113142.4 Ų142.453%0.52871%0.71SS.*  cis-171.7143.6-13.1174.2158-1.300109.8
1942E38.3Very low36.6Very low149 Ų149146.3 Ų146.370%0.69671%0.709SS**  trans63.8143.6162-74.8157-168.700117.1
1943L39.2Very low36.9Very low126 Ų126143.4 Ų143.466%0.6670%0.7SS**  cis-142.7151.8-16-86.2143.3000104.6
1944L40Very low37Very low137 Ų137145.4 Ų145.472%0.71770%0.695SS**  48.7135.270.4-66.2158.7000111.4
1945E42.2Very low37.3Very low164 Ų164146.7 Ų146.777%0.76670%0.697SS**  cis-137.9135.433.5-70.2166162.900111.9
1946D35.5Very low37.4Very low115 Ų115148.8 Ų148.862%0.61570%0.702SS**  68.4124.7125.2-53.21.1000120.2
1947E35Very low37.5Very low140 Ų140150.5 Ų150.565%0.65470%0.704SS**  64.9117.579-102.4-175.4166.500111.4
1948Y33.1Very low37.7Very low169 Ų169150.4 Ų150.466%0.66370%0.7SS**  cis-158.3153.742.5-108.6-79.8000113.6
1949Y36.1Very low37.5Very low292 Ų292152.5 Ų152.5100%1.14570%0.704SS**  trans63.40170.7-77.7-80000117.6

Retrieved 1,949 of 1,949 residues in 2420.5 ms (Link to these results)