A0A5K4F1T3_SCHMA Loading...

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AlphaFold DB , UniProt , Accession A0A5K4F1T3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,042 aa.

>A0A5K4F1T3_SCHMA|A0A5K4F1T3
MSSHHSLSPRKSCCNQSHPNIRSHEHSCNSEIIGVSTSSEINSSHNSEPEVIEDKPPSPLSLQQDGVFSLVQSPPFENDQLDSVSPENQLSNLLIHSNNQTLINLSGINSTVTDQKREHVPITNARNPNLQNMTSSERANSVSGDVSNPNCPDVVKSFRKPKYSPRDSVSQQPITDSVAASTIGSSDPVFSLTARETNLSLIASRKSVKELYGQPSWWGDGDSGYSYPHTSSFGNQETVHPVVASRKYSMKADINLTSEENSTRPPAEAFVIDFGSSKPRLERPASLSGSLSQCVPLKLRQGLDERERRIKEKQLEVKKQSTSGMVNKNTVTTMSNSKFSTTTTKSRTNMNEIQKTHSRGASLSAKGSTVRTNTATSNITSNVTATTTTTTSGRSSSTTINKKPQVTMTKLDKRITSKPDSSLRTGRVDCATNLTSNSTNASRSNLTDRSRGRLFSQTNNKEPTQSNRTNVKPPFSVGGRRISAGAASLTSQRTAPSQLNRSKISVVARGSLHLSTTGLTDSRSNLRGVSSATRQSTVKHRGVNRSFMTPTTSSDAKQVKTRESIRSMPNESPISSSPKCDSRRTYESPIGNSAKKPITSTFLRRGTAQGRIGIGRKLSTDNINQYSNSNKSSSCISDRIASVVSTIEAYDDPKAYLFYRMFQGVEEIETTTTDGIFQAFSPYSSVDFQKQFSPEFNDTNEQLNYHLHSYGIDETFPKFQTNSNVQNKYSGMLLSVDDEETPYQDLPSHHSDLTTISTSNSRTLATKTPVYLSKCYKNEIPTSQTQNIVKSSTVSNSKVHCTTNENDDATMDPTLKSMNLSMFVSTSVTSLAPSQTGTYVIDGGDGIDDDNDDNNNNTNQDFLQHSDEQNIHLYKDNDLITPRGSPKRDITAEGELLNRRSTNHLSNNQQTKQLPQFEKDFENSMLPVEHVQTLTAHHQYSGNKRLNDSISTVDLTKTPSNEKPLCITSSTVCLTETHDNKLQDSKNKKDVLSHLIDNLEDSDHVGISLTSLTPSHTGTYILDIDDTLIAQGVLPVIIRSHETLASSVTTIDSGLNIESAMNTHGVIVENITPRGSPISKETLWHIVENDNDDESRDNNDLVLVTSNQSGRPYNVSFDNCNNELSGQFTMESLRAEFEDTYKSLPSPNQFLGGADSSDNSMNIVESSTLLIKMDFTGILKFLSNRRNAQSESRKSQMKTMNAHPVQGKESNRTIPSVNTSNITLQHINYFVKPKSINCTEVSISNHLQNDLITKQNMINNTYTHKDEKYSSVHIPPNDGVSLPTTVSLKLPDSSSSKSSSSNSPSTSSSCSNHILKYNREVTDGLDLNNQNIEHFNLMHNLNNKNNNNMNEHHLAYNSYTGRRYSDNYEHSKFLSHNNSNLIPSTTGNPLYNVSETIGNHCHITISKRQDNTTITNLQSINNNSNCTKITSTTPFSLSYHDPNTMNQLLTRLNSMPATHYSRPDQSRNMIRTHSCSRGKSRYYSHGSASVPDPASPVRSWSSISSGTEHSLTNRIICKSRKQLNDQTDSGFIETRYLMKTLNTNKPLPQGSSSTYLENKSDHFLNSYDYNRTTNLSQYNEDIKFKKSNEIDSRTYTRRKHSRSNDQDDPQKYLTTLDAESYQTWVARMSELAQGLNSLAKEPLFQSDGSCSEENKNEFQPINRLYPDVKTINLPLINDNLQTMPTLPDSTTDPGLSEIVECSAFTTPLPHRTLETMLSVAPENLSNYQKFPLNNTKKLNLPTVQNGRDEKFTDFILSPQSFQLSSNFDPDSSDPNESAIYYSLMVDTIRYLSIKLRQFSDKLAYRLSYNQQQANASGSNTTELSSRYVSIQQNRDDVQSSTKYALHDTFENMKAVNQQLQVVGKLLFSKNNDNITNELNQIDNATSCEYLHKLEQFNQELYRFIPIEPANIHHHPNINTTISTTNKFIQIPNTNLQSVLTDEQHSNFVNKSTSVSTNQVMMNTTSALNTHFTTDDNTNTINNNSSTSRPLSHPFTSKSTTSTTTNTTTVTTVHSSNIHVISLTGKSNDNMINKQELLEDEYY
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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
1M34.2Very low31.2Very low237 Ų237153.8 Ų153.8100%1.16781%0.813SS**  094.40-55.2175.78300105.1
2S30.6Very low31Very low118 Ų118150.8 Ų150.883%0.82581%0.813SS**  74.4135.373.7-154.30000112.5
3S29.1Very low30.7Very low79 Ų79148.2 Ų148.255%0.55281%0.812SS**  trans-44.2153.2-177.242.80000114.9
4H34.1Very low30.7Very low149 Ų149146.7 Ų146.769%0.6982%0.816SS**  -165.7170.169-90.3-82.4000114.6
5H30.4Very low30.4Very low160 Ų160146.9 Ų146.974%0.74181%0.814SS**  trans-5.8138.2165.2-41-70.1000118
6S29.4Very low30.6Very low99 Ų99149.4 Ų149.469%0.69282%0.818SS**  170.4-176.271.354.20000112.3
7L31.2Very low30.5Very low148 Ų148146.6 Ų146.678%0.77581%0.812SS**  trans64.4105.1156.2-64.8166.4000119.8
8S33.7Very low30.3Very low128 Ų128148.6 Ų148.690%0.89581%0.814SS**  trans-164101.2135.2-87.20000112.2
9P31.1Very low30.7Very low118 Ų118146.2 Ų146.277%0.76681%0.806SS**  trans-98.8138.2175.635.2-30000112.5
10R31.6Very low30.6Very low249 Ų249145.6 Ų145.694%0.9480%0.802SS**  trans-145.8123.5161.1-118179.5-176.8-168.70.1112.6
11K27.6Very low30.4Very low207 Ų207144.4 Ų144.490%0.979%0.793SS**  trans-101.2144.5161-61.8177.9179.2-179.40108
12S29.6Very low30.1Very low117 Ų117144.7 Ų144.782%0.81878%0.781SS**  trans-162.3132.9155.251.70000110.5
13C26.2Very low30.4Very low118 Ų118143.9 Ų143.980%0.79778%0.775SS**  trans-106.3137.8175.8-47.90000110.2
14C31.1Very low30.5Very low127 Ų127147.3 Ų147.386%0.85878%0.782SS**  trans-126.9127.5153.6-66.10000105.2
15N27Very low30.4Very low149 Ų149147 Ų14780%0.79778%0.781SS**  cis58.883.428.3-80.8-1.8000114.3
16Q33.4Very low30.5Very low188 Ų188147.3 Ų147.388%0.87978%0.783SS**  trans-158.7122.9140.1-115.8163.79.900114.5
17S28.1Very low30.4Very low102 Ų102146.7 Ų146.771%0.71378%0.778SS**  trans44.3126.8135.963.90000123
18H27.4Very low30.1Very low182 Ų182144.4 Ų144.484%0.84377%0.773SS**  -15.5157.1125.2-73-45.4000116.4
19P37.9Very low30Very low102 Ų102141.2 Ų141.266%0.66275%0.746SS**  cis-150.4175.436.444.7-25.7000118.3
20N27.8Very low30Very low135 Ų135137.2 Ų137.272%0.72272%0.721SS**  trans56.6155.4138.6-69.9-3.3000122
21I28.1Very low30.1Very low120 Ų120131 Ų13162%0.61570%0.703SS**  cis-165.5139.3-20.1-110.3167.3000105.6
22R26.7Very low30.4Very low244 Ų244124.4 Ų124.492%0.92168%0.676SS**  trans57.8141.3172.6-71.1163.7171.6164.7-5.8114.8
23S36.6Very low30.7Very low100 Ų100123.9 Ų123.970%0.69966%0.663SS**  cis-152.5173.830.949.30000112.1
24H32.8Very low31.1Very low151 Ų151121.2 Ų121.270%0.69966%0.656SS**  trans43.2109.7166.1-70.7-74000119.8
25E31.3Very low31.2Very low142 Ų142121.2 Ų121.266%0.66465%0.652SS**  47.3112.8110.1-65.317415200117.1
26H31.7Very low31.4Very low168 Ų168118.7 Ų118.778%0.77865%0.646SS**  65.7122.286.2-59.4-28.6000112.7
27S28.4Very low31.2Very low86 Ų86116 Ų11660%0.60164%0.642SS**  cis-160.61171.3-168.60000112.8K798S27-K798 PolarHBondContact OG-NZ 3.37Å
28C25.2Very low31.3Very low100 Ų100115.6 Ų115.668%0.67664%0.64SS**  trans-63148.7149.3-47.90000109.4K798C28-K798 WeakPolarHBondContact O-CE 3.41Å; C28-K798 PolarHBondContact O-NZ 3.39Å
29N30.1Very low31.4Very low61 Ų61111.7 Ų111.733%0.32663%0.633SS.*  166.3131.2121.2-86.914.4000109.2K798 V799 H800N29-K798 HydrophobicContact CB-CG 4.37Å; N29-K798 WeakPolarHBondContact ND2-CE 3.27Å; N29-K798 PolarHBondContact ND2-O 2.95Å; N29-V799 HydrophobicContact CB-CB 4.32Å; N29-V799 HydrophobicContact CB-CG1 3.74Å; N29-H800 CarbonylContact O-C 3.23Å; N29-H800 WeakPolarHBondContact O-CB 3.2Å; N29-H800 PolarHBondContact O-N 3.28Å
30S30.9Very low31.1Very low33 Ų33114.8 Ų114.823%0.23164%0.638CS.*  trans-166.8122-174.3-105.60000114.8H800 C801 T802 T803S30-H800 CarbonylContact C-O 3.57Å; S30-H800 WeakPolarHBondContact CA-O 3.31Å; S30-C801 VanDerWaalsContact OG-C 3.27Å; S30-T802 VanDerWaalsContact CA-N 3.29Å; S30-T802 WeakPolarHBondContact CB-OG1 3.23Å; S30-T802 CarbonylContact O-C 3.51Å; S30-T802 WeakPolarHBondContact OG-CB 3.28Å; S30-T802 PolarHBondContact OG-N 3.3Å; S30-T802 PolarHBondContact OG-OG1 2.9Å; S30-T803 VanDerWaalsContact C-N 3.35Å; S30-T803 WeakPolarHBondContact O-CB 3.12Å; S30-T803 PolarHBondContact O-N 3.48Å; S30-T803 PolarHBondContact O-OG1 3.35Å
31E33.5Very low31.3Very low119 Ų119114.6 Ų114.656%0.55664%0.636SS**  trans-113.2128.4165.5-63.4156.113500113.3V799 H800 C801 T802 T803E31-V799 HydrophobicContact CG-CG1 4.44Å; E31-H800 PolarHBondContact N-O 2.8Å; E31-H800 VanDerWaalsContact N-O 3.16Å; E31-C801 CarbonylContact O-C 3.45Å; E31-C801 WeakPolarHBondContact O-CA 3.31Å; E31-C801 WeakPolarHBondContact O-CB 3.33Å; E31-T802 PolarHBondContact O-N 3.4Å; E31-T803 CarbonylContact C-O 3.53Å; E31-T803 VanDerWaalsContact C-O 3.28Å; E31-T803 WeakPolarHBondContact CA-O 3.41Å
32I34.1Very low31.3Very low68 Ų68115.9 Ų115.935%0.34964%0.644SS.*  trans-95.2151.9175.3-24.9168.1000106.8T802 T803 N804 E805I32-T802 WeakPolarHBondContact CG1-O 3.37Å; I32-T803 VanDerWaalsContact CG1-N 3.28Å; I32-T803 PolarHBondContact N-O 3.02Å; I32-N804 HydrophobicContact CB-CB 4.12Å; I32-N804 WeakPolarHBondContact CB-OD1 3.39Å; I32-N804 HydrophobicContact CD1-CB 3.88Å; I32-N804 HydrophobicContact CG1-CB 4.1Å; I32-N804 CarbonylContact O-C 2.84Å; I32-N804 VanDerWaalsContact O-C 3.31Å; I32-N804 WeakPolarHBondContact O-CA 3.38Å; I32-N804 PolarHBondContact O-OD1 3.08Å; I32-E805 PolarHBondContact O-N 3.28Å
33I36.2Very low31.4Very low106 Ų106109.5 Ų109.554%0.54464%0.637SS.*  trans-143.4153.4144-87.2112000106.4N806I33-N806 VanDerWaalsContact CG1-OD1 3.3Å; I33-N806 WeakPolarHBondContact CG1-OD1 3.44Å; I33-N806 WeakPolarHBondContact CG2-OD1 3.47Å
34G35.6Very low31.1Very low62 Ų62109.9 Ų109.964%0.63964%0.639SS**  trans71.798.6157.800000116.1
35V32.8Very low30.9Very low127 Ų127110.9 Ų110.977%0.7764%0.644SS**  trans-94.1137.9171.5166.40000110.8
36S30.2Very low31Very low97 Ų97110.9 Ų110.968%0.67865%0.648SS**  trans84.7133.2160.9-75.10000121.3
37T30.1Very low31.1Very low131 Ų131108.2 Ų108.280%0.80465%0.649SS**  trans69.8135.1145.650.20000119.9
38S30.5Very low31.2Very low94 Ų94112.8 Ų112.866%0.65766%0.661SS**  cis-169.8154.2-8450000112.8
39S29.2Very low31.9Very low99 Ų99112.5 Ų112.569%0.69266%0.658SS**  trans61152.5150.356.10000118.3
40E30.7Very low32Very low167 Ų167117.9 Ų117.978%0.7868%0.681SS**  cis-160.4-176.111.2-142.5160.7-132.800113.7
41I32Very low32.4Very low132 Ų132123.5 Ų123.568%0.67771%0.714SS**  trans86.4101154.6-70.3153.6000120.1
42N28Very low32.3Very low147 Ų147124.9 Ų124.979%0.78672%0.723SS**  trans62.7117.1136.4-59.2-9.2000123.5
43S30Very low32.7Very low109 Ų109131.2 Ų131.276%0.76275%0.751SS**  179150.393.447.30000115.2
44S29.8Very low32.5Very low108 Ų108132.2 Ų132.276%0.75576%0.758SS**  trans62.1125.6175.4630000118
45H28.5Very low32.5Very low172 Ų172138.2 Ų138.280%0.79677%0.766SS**  cis88.395.536.6-75.7-71.5000116.1
46N32.7Very low32.8Very low142 Ų142137.1 Ų137.176%0.75976%0.762SS**  168.1166.9104.4-84-21.6000113.5
47S34.1Very low33.3Very low113 Ų113138.7 Ų138.779%0.7977%0.77SS**  trans60.799.5-171.550.90000114.4
48E30.8Very low33.4Very low181 Ų181138.1 Ų138.185%0.84677%0.771SS**  cis81.714128.4-141-159.5155.200113.6
49P39.6Very low33.8Very low95 Ų95138.9 Ų138.962%0.61777%0.774SS**  -133.9177.6-55.942.8-30.4000115.4
50E32.8Very low33.8Very low173 Ų173141.4 Ų141.481%0.80878%0.779SS**  trans49.4120.5150.6-72.8-178.7130.500123.5
51V38.5Very low34.1Very low152 Ų152139.6 Ų139.692%0.92178%0.784SS**  trans-132146138.1176.80000107.9
52I32.6Very low34Very low148 Ų148139.9 Ų139.976%0.75979%0.787SS**  trans-93.4136.1-167.7-59.8152.4000111.2
53E42.3Very low34Very low200 Ų200139.2 Ų139.294%0.93578%0.779SS**  trans-148.6113.9149.5-137.2171.1-147.800115
54D32.4Very low34Very low128 Ų128140.5 Ų140.568%0.68477%0.773SS**  trans-58.2137176.1160.343.6000116.1
55K35.8Very low34Very low188 Ų188140.7 Ų140.782%0.81777%0.765SS**  trans-169.4160.1138.5-105.4151-171161.60114.7
56P37.8Very low34.1Very low104 Ų104136.4 Ų136.468%0.67577%0.767SS**  trans-97.2160-151.936.7-38.2000117
57P41.4Very low34Very low129 Ų129136 Ų13684%0.83877%0.77SS**  trans-75.5163.8172.9-13.530.3000114.8
58S32.5Very low33.9Very low119 Ų119140 Ų14083%0.83277%0.773SS**  trans-104.6167.3177-73.10000113
59P38Very low33.7Very low111 Ų111135 Ų13572%0.72176%0.759SS**  trans-115.1-173.8-150.443.7-36.9000116.2
60L30.2Very low33.2Very low152 Ų152135.1 Ų135.180%0.79675%0.754SS**  trans75.390.7160.3-61.5172.1000119.1
61S36.9Very low33.1Very low128 Ų128132.1 Ų132.190%0.89575%0.746SS**  -157.5161.2121.7-82.40000110
62L28.1Very low32.8Very low138 Ų138129 Ų12972%0.72372%0.722SS**  trans-112146.2-156.8-70.7158.2000113.7
63Q29.5Very low32.6Very low133 Ų133125.7 Ų125.762%0.62171%0.712SS**  trans41138.1131.9-56.1172.8-33.900118.6
64Q29.1Very low32.4Very low136 Ų136120.6 Ų120.664%0.63670%0.696SS**  -151.8140.852.3-76.1-172.2-86.800115.7T1956Q64-T1956 VanDerWaalsContact NE2-CG2 3.33Å
65D30.7Very low32.5Very low113 Ų113120.5 Ų120.560%0.60470%0.703SS**  48.5113.4127.8-44.1-29.4000120.5
66G29.9Very low32.6Very low81 Ų81119.8 Ų119.884%0.83570%0.7SS**  trans-171.923.7170.500000114.3
67V30.6Very low32.2Very low133 Ų133121.6 Ų121.681%0.80670%0.699SS**  trans-93.6129.8-169.4175.90000111.6
68F31.7Very low31.6Very low197 Ų197120.9 Ų120.986%0.86469%0.689SS**  trans-106.1119.2153.4-101.5-84.5000110.2
69S28.3Very low31.6Very low78 Ų78121 Ų12155%0.54568%0.68SS.*  trans64.4110.3148.1-62.40000116.8
70L28Very low31Very low97 Ų97122.8 Ų122.851%0.50868%0.679SS.*  176.3157.464.7-108.6-5.1000112.1P717 K718L70-P717 HydrophobicContact CB-CB 3.4Å; L70-P717 VanDerWaalsContact CB-CB 3.4Å; L70-P717 HydrophobicContact CB-CG 4.47Å; L70-P717 HydrophobicContact CD1-CB 3.84Å; L70-P717 HydrophobicContact CD1-CG 4.29Å; L70-P717 HydrophobicContact CG-CB 3.53Å; L70-P717 HydrophobicContact CG-CG 4.49Å; L70-K718 WeakPolarHBondContact O-CG 3.44Å
71V31Very low31.1Very low109 Ų109122 Ų12266%0.66168%0.675SS**  trans-117.6-1-170.771.20000128.5P717 K718V71-P717 HydrophobicContact CB-CG 4.22Å; V71-P717 HydrophobicContact CG1-CG 3.69Å; V71-K718 VanDerWaalsContact CA-CG 3.45Å; V71-K718 VanDerWaalsContact O-CD 3.26Å; V71-K718 WeakPolarHBondContact O-CD 3.37Å; V71-K718 VanDerWaalsContact O-CE 3.32Å; V71-K718 WeakPolarHBondContact O-CE 3.4Å; V71-K718 PolarHBondContact O-NZ 2.94Å
72Q31Very low30.7Very low86 Ų86123.1 Ų123.140%0.40267%0.67SS.*  trans-66.5129.2176-107.7-145.889.900119.7F716 P717 K718Q72-F716 HydrophobicContact CG-CB 4.17Å; Q72-F716 HydrophobicContact CG-CD1 3.64Å; Q72-F716 HydrophobicContact CG-CG 4.3Å; Q72-P717 HydrophobicContact CB-CB 4.2Å; Q72-P717 HydrophobicContact CB-CG 4.43Å; Q72-P717 WeakPolarHBondContact CB-O 3.34Å; Q72-P717 VanDerWaalsContact CG-CD 3.5Å; Q72-P717 VanDerWaalsContact N-CB 3.34Å; Q72-P717 PolarHBondContact NE2-O 3.39Å; Q72-P717 VanDerWaalsContact NE2-O 3.12Å; Q72-K718 VanDerWaalsContact C-CD 3.45Å; Q72-K718 HydrophobicContact CB-CB 3.82Å; Q72-K718 VanDerWaalsContact N-CB 3.26Å; Q72-K718 VanDerWaalsContact N-CG 3.26Å; Q72-K718 WeakPolarHBondContact O-CB 3.41Å; Q72-K718 WeakPolarHBondContact O-CD 3.42Å; Q72-K718 VanDerWaalsContact O-CG 3.29Å; Q72-K718 WeakPolarHBondContact O-CG 3.23Å
73S28.6Very low30.8Very low79 Ų79122.1 Ų122.155%0.55268%0.675SS**  91.6147.773.9-59.10000115
74P39.5Very low30.7Very low94 Ų94122.8 Ų122.861%0.6169%0.688SS**  -138.8171.8-85.530.6-8.2000115.2
75P34.9Very low30.8Very low125 Ų125121.4 Ų121.481%0.81269%0.693SS**  trans-81.4126.6165.332.3-31.4000111.7
76F37.4Very low31.2Very low173 Ų173121.4 Ų121.476%0.75970%0.699SS**  trans-81.6136.8152.8-72.1-91.9000107.7
77E28.6Very low31Very low142 Ų142126.2 Ų126.266%0.66470%0.7SS**  76.3125.161.5-130.6-160.4143.300113.8
78N29.5Very low30.9Very low115 Ų115127.2 Ų127.262%0.61570%0.701SS**  trans74.5110.6156.3-58.8-24.2000122.1
79D31.4Very low30.9Very low122 Ų122126.4 Ų126.465%0.65270%0.7SS**  97.5117.7115.6-83.4-45.1000122.7
80Q26.5Very low31.1Very low148 Ų148129 Ų12969%0.69271%0.707SS**  88.9127.2125.9-81.4169.159.800123.3
81L32.5Very low31Very low136 Ų136130.4 Ų130.471%0.71273%0.725SS**  trans80.1108.1140.9-66.6166.7000120.2
82D27.6Very low30.9Very low150 Ų150130.8 Ų130.880%0.80272%0.723SS**  trans-3.2118.6131.7-65-59.7000117.1
83S31.2Very low31Very low117 Ų117133.8 Ų133.882%0.81874%0.741SS**  -171.5135.4117.835.90000111.9
84V26Very low30.9Very low147 Ų147136.4 Ų136.489%0.89175%0.748SS**  trans-109.6104.3176176.50000109.5
85S31.9Very low30.4Very low108 Ų108138 Ų13876%0.75575%0.75SS**  trans68.1159.6170.2-129.60000115.5
86P40Very low30.3Very low113 Ų113140.9 Ų140.973%0.73475%0.753SS**  cis-125.3-173.74.242.8-27.6000115.3N88P86-N88 PolarHBondContact O-N 3.18Å
87E26Very low30.1Very low182 Ų182137.1 Ų137.185%0.8575%0.747SS**  trans-47.7124.7178.8-55.9171.313100114.2
88N26.6Very low30.1Very low153 Ų153137.2 Ų137.282%0.81875%0.752SS**  trans-172.5101.1151.5-107.9-61.2000111.3P86P86-N88 PolarHBondContact O-N 3.18Å
89Q32.5Very low30.2Very low180 Ų180138.6 Ų138.684%0.84176%0.76SS**  trans-177.3147.5144.1-105.8162.499.300115
90L32.9Very low30Very low134 Ų134140.2 Ų140.270%0.70276%0.764SS**  trans60.558.3147.6-59.8172.7000119.8N92L90-N92 HydrophobicContact CD2-CB 4.19Å
91S24.8Very low30.3Very low125 Ų125138.2 Ų138.287%0.87476%0.762SS**  trans-97.484.1138.1650000109.3
92N29.7Very low30.2Very low118 Ų118138.7 Ų138.763%0.63176%0.764SS**  trans-136.1128.1-171.9-135.1-6.1000109.3L90L90-N92 HydrophobicContact CD2-CB 4.19Å
93L33.3Very low30.4Very low148 Ų148137.9 Ų137.978%0.77576%0.759SS**  trans64154.3172.5-81.461.3000116.6
94L26.4Very low30.4Very low134 Ų134139.7 Ų139.770%0.70276%0.759SS**  cis-156.6120.7-31.7-157.765.1000111.6
95I28.4Very low30.5Very low128 Ų128140.3 Ų140.366%0.65676%0.757SS**  trans32.6123.2142.9-50.6169.3000119
96H34Very low30.3Very low186 Ų186140.5 Ų140.586%0.86176%0.758SS**  177.6119121-95.273.3000108.9
97S32.7Very low29.8Very low93 Ų93138.5 Ų138.565%0.6576%0.757SS**  cis-158.2149.4-15.452.40000112.1
98N29.1Very low30.1Very low144 Ų144137 Ų13777%0.7775%0.754SS**  trans54.193.9156.7-60-11.2000122.1
99N29.9Very low30.2Very low144 Ų144137.3 Ų137.377%0.7776%0.755SS**  166.8144.2120-87.8-22.4000111.4
100Q28.1Very low29.9Very low156 Ų156133.4 Ų133.473%0.72975%0.748SS**  cis-164142.8-20.2-148.9174.332.500110.4
101T33Very low29.6Very low107 Ų107133 Ų13366%0.65675%0.752SS**  trans63.4138.2152340000124.6
102L29.6Very low29.8Very low145 Ų145133 Ų13376%0.75975%0.745SS**  trans70.3154.4142.7-63.6154.8000121.2
103I32.6Very low29.8Very low134 Ų134132.5 Ų132.569%0.68775%0.747SS**  -166.6152.6-50.5-125.2164.9000112.6
104N30.2Very low29.8Very low155 Ų155132.2 Ų132.283%0.82975%0.746SS**  trans65148.9161.1-75.2-4.3000123.2
105L28.4Very low30.1Very low160 Ų160134.5 Ų134.584%0.83875%0.754SS**  trans-95.8169.3176.1-65.9149.8000111.5
106S27.7Very low30.1Very low112 Ų112137.4 Ų137.478%0.78376%0.761SS**  trans62.8153.6152.7730000119
107G29Very low29.9Very low70 Ų70140.3 Ų140.372%0.72277%0.765SS**  trans-99.9132.3177.300000112.4
108I32.3Very low29.7Very low152 Ų152143.1 Ų143.178%0.77977%0.767SS**  trans-126.9123.5149.2-65.289.3000106.5
109N30.3Very low29.8Very low158 Ų158144.6 Ų144.685%0.84577%0.769SS**  trans-87.2115.6-178.5-72.1-40.3000110.9
110S24.6Very low29.8Very low99 Ų99143.4 Ų143.469%0.69277%0.767SS**  trans-160.6113.9162.4-89.90000110
111T26.6Very low30.1Very low126 Ų126141.3 Ų141.377%0.77377%0.767SS**  791497964.80000114.8
112V29.6Very low29.9Very low123 Ų123142.3 Ų142.375%0.74577%0.767SS**  trans88.282.6165.9-167.20000118.7
113T29.8Very low30Very low108 Ų108142.3 Ų142.366%0.66377%0.773SS**  trans46.3127.7130.662.70000123.6
114D32.8Very low29.6Very low143 Ų143142.5 Ų142.577%0.76578%0.776SS**  56.2152.1125.6-55.5-56.7000121.3
115Q32.7Very low29.5Very low182 Ų182138.8 Ų138.885%0.8577%0.767SS**  cis-141.4125.227.5-66.4173.414.100115
116K30Very low29.4Very low189 Ų189142.2 Ų142.282%0.82277%0.768SS**  15.8114.3126.5-171.6-179.1-175.2179.40118.5
117R29.9Very low29.5Very low246 Ų246143.3 Ų143.393%0.92877%0.766SS**  trans-136.3152.3139-159.5166.7-171.7170.24.8111.3
118E26.8Very low29.7Very low152 Ų152144.8 Ų144.871%0.7176%0.763SS**  trans-112137.7-161.5169.2179.7-151.300111.2
119H32.3Very low29.5Very low175 Ų175144.7 Ų144.781%0.8176%0.763SS**  trans-154.8112.4153-101-62.7000111.4
120V29.8Very low29.4Very low120 Ų120143.8 Ų143.873%0.72776%0.758SS**  trans-108.5123157.4172.80000107.6I122V120-I122 HydrophobicContact CG1-CG1 4.07Å
121P33.3Very low29.4Very low112 Ų112147.5 Ų147.573%0.72776%0.764SS**  trans-107.9145.9146.1-10.229.6000111.1
122I29.5Very low29.5Very low128 Ų128148.8 Ų148.866%0.65677%0.767SS**  trans-99.6143.8-177.5-66.3161.2000109.7V120V120-I122 HydrophobicContact CG1-CG1 4.07Å
123T31.2Very low29.3Very low145 Ų145151.2 Ų151.289%0.8977%0.772SS**  trans-139.792154.2-18.30000111.7
124N25.2Very low29.4Very low138 Ų138152.7 Ų152.774%0.73878%0.781SS**  trans-60.4163.4161.2-79-48.3000111.1
125A28.2Very low29.3Very low77 Ų77151.6 Ų151.664%0.63678%0.784SS**  cis-177.9-177.4-17.500000108.4
126R25.8Very low29.1Very low231 Ų231147.6 Ų147.687%0.87278%0.777SS**  trans71.2156.9169-76.9-179.6162128.4-3.4115.3
127N30.2Very low29.3Very low136 Ų136147.5 Ų147.573%0.72778%0.779SS**  cis-145.7141.312.4-142.518.2000112.5
128P31.9Very low29.1Very low101 Ų101147 Ų14766%0.65678%0.777SS**  trans-103.7139.4170.735.9-29.2000112.8
129N29.1Very low29.2Very low149 Ų149143.2 Ų143.280%0.79777%0.772SS**  trans-173.3164.6141.5-117.3-70.2000115.9
130L28.3Very low29Very low139 Ų139142.2 Ų142.273%0.72877%0.773SS**  trans61.178.3157-68.3163.4000118.7
131Q25.2Very low28.9Very low178 Ų178142.2 Ų142.283%0.83278%0.778SS**  16.2124.3118.2-62.7171.1-26.600117.4
132N28.1Very low28.7Very low153 Ų153144.1 Ų144.182%0.81879%0.787SS**  -153.7156.7127.7-125.9-13.1000114.5
133M25.8Very low28.7Very low173 Ų173143.9 Ų143.985%0.85280%0.797SS**  trans-41.3137.6-172.2-55.1161.485.400117.5
134T32.1Very low28.5Very low139 Ų139140.2 Ų140.285%0.85379%0.788SS**  trans-138.4131.9153.944.90000110.5
135S29.6Very low28.9Very low120 Ų120141.4 Ų141.484%0.83979%0.794SS**  trans-152.1142.1170.7-69.10000108.8
136S28.7Very low28.9Very low99 Ų99143.8 Ų143.869%0.69280%0.8SS**  trans53.7105.9176-83.80000119.4
137E33.7Very low29.3Very low187 Ų187138.5 Ų138.587%0.87480%0.799SS**  80.8172.5121.2-69.6165.3114.900120.5
138R25.9Very low29.2Very low235 Ų235139.1 Ų139.189%0.88780%0.802SS**  trans-144.7133.3-140.9166.9178.8172.5135.3-0.8111.5
139A29.2Very low29.7Very low73 Ų73139.1 Ų139.160%0.60380%0.802SS**  trans62.1124159.500000118.2
140N29Very low29.9Very low154 Ų154139.7 Ų139.782%0.82481%0.805SS**  -154.9159.489.1-97.8-32.5000113.3
141S28Very low29.9Very low119 Ų119138.2 Ų138.283%0.83281%0.806SS**  trans68.3123.6167.9-55.50000118.4
142V27.6Very low30.8Very low153 Ų153135 Ų13593%0.92780%0.8SS**  trans-136.7108.6178.5173.20000110.5
143S29.5Very low31Very low122 Ų122134.4 Ų134.485%0.85380%0.797SS**  trans172.3131.7157.1174.10000107.7
144G28.6Very low31.1Very low68 Ų68132 Ų13270%0.70179%0.792SS**  cis121.589.3-16.100000114.7
145D33.4Very low31.3Very low163 Ų163131.7 Ų131.787%0.87279%0.789SS**  trans-154.3168143.4-135.2-29.2000113.7
146V28Very low31.2Very low127 Ų127135 Ų13577%0.7779%0.788SS**  trans-105140.7-146.6173.90000115.7
147S33Very low31.3Very low120 Ų120135.5 Ų135.584%0.83979%0.792SS**  trans-154.4123.8145.665.40000114.1
148N29.6Very low30.9Very low150 Ų150135.3 Ų135.380%0.80279%0.789SS**  trans-114.2178.6168.8-148.316.4000106.7
149P41.8Very low31Very low100 Ų100135.4 Ų135.465%0.64979%0.789SS**  cis-137.6171.1-543.1-26.9000116.3
150N33.2Very low31.1Very low161 Ų161141.4 Ų141.486%0.86180%0.801SS**  -166.5163.8129.4-123.5-37.1000115.4
151C28.8Very low31.4Very low109 Ų109140.3 Ų140.374%0.73680%0.803SS**  trans-160.3173-179.4-150.30000107.9
152P44.1Very low31.3Very low110 Ų110144 Ų14471%0.71480%0.804SS**  cis-120.4-166.4-16.743.1-28.6000111.7
153D32.3Very low31.6Very low141 Ų141148 Ų14875%0.75480%0.804SS**  174.1166.2105.4-151.9-5.4000112.5
154V27.2Very low31.7Very low123 Ų123147 Ų14775%0.74580%0.797SS**  trans-137.4116.5-178.5177.10000111.8
155V35.5Very low32.1Very low132 Ų132148.9 Ų148.980%0.880%0.797SS**  trans-118131.7178.5-177.50000112.5
156K28.1Very low32.1Very low188 Ų188152.1 Ų152.182%0.81780%0.797SS**  trans-101.3134.5177-57.8166.2-177.1167.80110.3
157S30Very low32.1Very low110 Ų110153 Ų15377%0.76980%0.797SS**  trans-155.7104.8159.1-155.10000116.6
158F27Very low31.7Very low184 Ų184152.4 Ų152.481%0.80779%0.793SS**  trans34.4140134.4-71.5-76000126
159R27.7Very low31.6Very low236 Ų236151.3 Ų151.389%0.89179%0.791SS**  trans92119.8142.2-79.7172.5-175.2-169.42.7121.4
160K31.3Very low30.9Very low199 Ų199151.1 Ų151.187%0.86579%0.792SS**  trans-72.6158.2150.1-56.4174.4175174.50109.4
161P34Very low30.8Very low131 Ų131152 Ų15285%0.85179%0.791SS**  -144.9-177.683.738.4-20.7000115.4
162K26.2Very low30.9Very low196 Ų196154.2 Ų154.285%0.85279%0.791SS**  trans-82150.7-177.4-51.8171.6-179.7177.90112.7
163Y35.2Very low30.1Very low239 Ų239154.9 Ų154.994%0.93780%0.795SS**  trans-151.8167.8144-108.4-79.2000111.3
164S30.3Very low30.1Very low100 Ų100155.7 Ų155.770%0.69980%0.798SS**  trans-145.1159.2176.7-171.70000105.1
165P38Very low30Very low107 Ų107155 Ų15570%0.69579%0.794SS**  cis-148-15726.943.9-22000115.8
166R32.8Very low29.6Very low232 Ų232155.2 Ų155.288%0.87579%0.791SS**  trans102.6133.7148.2-98.5-177.3-176.8-164.50.8120.4
167D27.8Very low29.4Very low145 Ų145151.4 Ų151.478%0.77579%0.788SS**  trans-83.1155.5175.9-49-95.5000114.1
168S24.1Very low29.5Very low108 Ų108153 Ų15376%0.75579%0.792SS**  trans47.7122.6139.3-56.10000121
169V28.7Very low29.4Very low127 Ų127148.8 Ų148.877%0.7779%0.792SS**  170.1127.6103.1157.20000112
170S26.7Very low29.4Very low96 Ų96142 Ų14267%0.67179%0.786SS**  trans70.8164.8158.578.30000120.6
171Q32.1Very low29.2Very low178 Ų178137.8 Ų137.883%0.83278%0.782SS**  trans73.7137.4-178.7-54.9174.627.500115.4
172Q29.8Very low28.9Very low157 Ų157136.6 Ų136.673%0.73477%0.772SS**  cis-160.5138.5-23.3-172.8166.6-20.700107.9
173P27.4Very low28.9Very low124 Ų124135.5 Ų135.581%0.80577%0.774SS**  trans-79.9135.4-177.631.1-34.3000112.7
174I31.6Very low28.6Very low158 Ų158127 Ų12781%0.8176%0.759SS**  trans-135.8149.1168.3-63.5-178.9000107.6
175T26Very low28.5Very low109 Ų109127.9 Ų127.967%0.66977%0.765SS**  trans-108.9175.9-169.6520000113.2
176D26.3Very low28.1Very low135 Ų135127.7 Ų127.772%0.72277%0.767SS**  trans78.2102150.8-51-41000121.6
177S24.9Very low27.9Very low109 Ų109124 Ų12476%0.76276%0.764SS**  59.6109.3126.268.40000122.7
178V31Very low28Very low142 Ų142121.8 Ų121.886%0.86176%0.757SS**  trans-144.7129.2136.4-178.40000106.2
179A26Very low28.3Very low96 Ų96123.8 Ų123.879%0.79377%0.765SS**  cis96.172.218.500000116.6
180A27.6Very low28.2Very low94 Ų94125.3 Ų125.378%0.77776%0.762SS**  trans-153.3125.8159.500000107.8
181S25.9Very low28.3Very low110 Ų110126.4 Ų126.477%0.76977%0.769SS**  70.8131.183.3-1550000112
182T28Very low28.1Very low107 Ų107124.1 Ų124.166%0.65676%0.762SS**  -176.5129.658.6-68.40000113
183I26.3Very low27.8Very low172 Ų172122.7 Ų122.788%0.88276%0.764SS**  trans59.6140148.2-59.6169.1000122.7
184G30.2Very low27.8Very low60 Ų60121.6 Ų121.662%0.61977%0.766SS**  trans130.8106.7156.400000113.6
185S28.1Very low27.6Very low119 Ų119124.9 Ų124.983%0.83277%0.768SS**  60.3126.172.371.30000114.6
186S29.1Very low27.8Very low104 Ų104128.9 Ų128.973%0.72778%0.779SS**  cis-161167.82.543.70000112.4
187D28.8Very low28Very low155 Ų155126.5 Ų126.583%0.82977%0.769SS**  trans63.4123.1167.9-61.6-11.4000121.1
188P29.8Very low28.4Very low97 Ų97127.4 Ų127.463%0.6377%0.765SS**  trans-115.2149.6174.839.4-29.7000114.6F190P188-F190 HydrophobicContact CB-CD2 4.29Å; P188-F190 HydrophobicContact CB-CE2 4Å; P188-F190 HydrophobicContact CG-CE2 4.16Å
189V29.9Very low28.6Very low151 Ų151122.8 Ų122.892%0.91574%0.736SS**  trans-128.1128.3151.6178.60000108.4
190F26.4Very low29Very low159 Ų159123.7 Ų123.770%0.69774%0.736SS**PPolyproline II helixtrans-91.6138-172.1-77.7-110.6000112.4P188 L192P188-F190 HydrophobicContact CB-CD2 4.29Å; P188-F190 HydrophobicContact CB-CE2 4Å; P188-F190 HydrophobicContact CG-CE2 4.16Å; F190-L192 HydrophobicContact CB-CD1 4.03Å; F190-L192 HydrophobicContact CD1-CD1 3.98Å; F190-L192 HydrophobicContact CG-CD1 4.32Å
191S28.5Very low29.5Very low119 Ų119124.1 Ų124.183%0.83273%0.725SS**PPolyproline II helixtrans-94.9125.6139.347.50000108.6
192L28.4Very low30.1Very low130 Ų130124.7 Ų124.768%0.68172%0.718SS**PPolyproline II helixtrans-83.3167.6177.4-116.674.6000111.3F190F190-L192 HydrophobicContact CB-CD1 4.03Å; F190-L192 HydrophobicContact CD1-CD1 3.98Å; F190-L192 HydrophobicContact CG-CD1 4.32Å
193T24.6Very low30.5Very low127 Ų127123.9 Ų123.978%0.77972%0.722SS**  trans5576.8167.444.60000114.4
194A26.5Very low31.2Very low101 Ų101120.7 Ų120.784%0.83572%0.715SS**  58.399.874.700000113.8
195R26.4Very low32Very low227 Ų227129.5 Ų129.586%0.85773%0.73SS**  trans-146.449166.7-151.4176.3-169175.24.4113.4T197R195-T197 PolarHBondContact O-N 3.49Å
196E30.1Very low33.1Very low193 Ų193128.5 Ų128.590%0.90271%0.71SS**  trans-69.7104.1158-65-176.6147.700108.6
197T30.8Very low34.7Very low84 Ų84126.3 Ų126.352%0.51570%0.695SS.*  trans-177.846.8162.517.10000113.2R195 Q1577R195-T197 PolarHBondContact O-N 3.49Å; T197-Q1577 PolarHBondContact O-NE2 3.1Å
198N34Very low35.8Very low128 Ų128123.5 Ų123.568%0.68468%0.683SS**  trans-141.5107.3162.9-80.2-64.3000108.7S200N198-S200 PolarHBondContact O-N 3.45Å
199L34.2Very low37.2Very low46 Ų46124.5 Ų124.524%0.24168%0.677CS.*  68.242.387-76.7167000115.4L201 I202 Y1578 N1579L199-L201 PolarHBondContact O-N 3.19Å; L199-I202 HydrophobicContact CD2-CG1 4.36Å; L199-Y1578 HydrophobicContact CD1-CD1 3.72Å; L199-Y1578 HydrophobicContact CD1-CE1 4.4Å; L199-Y1578 HydrophobicContact CD1-CG 3.85Å; L199-Y1578 HydrophobicContact CD2-CD1 4.22Å; L199-N1579 VanDerWaalsContact CD2-OD1 3.24Å; L199-N1579 WeakPolarHBondContact CD2-OD1 3.48Å
200S36.5Very low39.2Very low115 Ų115122.7 Ų122.780%0.80466%0.659SS**SBendtrans-77.118.815152.10000113.5N198N198-S200 PolarHBondContact O-N 3.45Å
201L36.5Very low40.9Very low102 Ų102120 Ų12053%0.53465%0.652SS.*  trans-114.342.1167.7-100.5158.7000111.7L199 E1580L199-L201 PolarHBondContact O-N 3.19Å; L201-E1580 WeakPolarHBondContact CB-OE2 3.36Å; L201-E1580 WeakPolarHBondContact CD1-OE2 3.47Å
202I38.5Very low42.7Very low123 Ų123123.1 Ų123.163%0.63165%0.646SS**SBendtrans-106.5115.4153-62.5179.9000106.1L199 S204L199-I202 HydrophobicContact CD2-CG1 4.36Å; I202-S204 PolarHBondContact O-N 3.31Å
203A36.7Very low43.7Very low89 Ų89118.7 Ų118.774%0.73663%0.632SS**  trans-23.9110.3-170.100000114.6R205A203-R205 PolarHBondContact O-N 2.81Å
204S42.2Very low45.1Very low105 Ų105117.1 Ų117.173%0.73462%0.616SS**  trans-42117171.8-55.70000109I202 K206I202-S204 PolarHBondContact O-N 3.31Å; S204-K206 VanDerWaalsContact C-N 3.28Å; S204-K206 PolarHBondContact O-N 2.97Å
205R46.3Very low46.1Very low245 Ų245115.7 Ų115.793%0.92560%0.598SS**  trans-62.396.3-178.5-81.3-175.3172.2179.8-1.8107.9A203 S207A203-R205 PolarHBondContact O-N 2.81Å; R205-S207 PolarHBondContact O-N 2.94Å; R205-S207 VanDerWaalsContact O-N 3.11Å
206K50.9Low47.5Very low99 Ų99109.5 Ų109.543%0.4359%0.589SS.*  trans-44.8122.2173.7-80.4-162.1159-153.30107.8S204 E210 L211S204-K206 VanDerWaalsContact C-N 3.28Å; S204-K206 PolarHBondContact O-N 2.97Å; K206-E210 WeakPolarHBondContact CA-OE2 3.47Å; K206-E210 HydrophobicContact CB-CB 3.79Å; K206-E210 HydrophobicContact CD-CB 4.15Å; K206-E210 HydrophobicContact CG-CB 4.16Å; K206-E210 IonicContact NZ-OE1 3.98Å; K206-L211 HydrophobicContact CB-CD1 4.48Å; K206-L211 HydrophobicContact CB-CD2 3.79Å; K206-L211 HydrophobicContact CB-CG 3.71Å; K206-L211 HydrophobicContact CD-CD2 4.35Å; K206-L211 WeakPolarHBondContact O-CD1 3.28Å
207S61.7Low48.1Very low57 Ų57109.7 Ų109.740%0.39958%0.582SS.*  trans-56.3160.4-177.9630000109.7R205 K209 E210 L211R205-S207 PolarHBondContact O-N 2.94Å; R205-S207 VanDerWaalsContact O-N 3.11Å; S207-K209 PolarHBondContact O-N 3.17Å; S207-E210 PolarHBondContact N-OE2 2.97Å; S207-E210 WeakPolarHBondContact O-CA 3.36Å; S207-E210 WeakPolarHBondContact O-CB 3.44Å; S207-E210 PolarHBondContact O-N 2.68Å; S207-E210 PolarHBondContact OG-N 3.1Å; S207-L211 PolarHBondContact O-N 3.23Å
208V53.7Low48.4Very low97 Ų97114 Ų11459%0.58859%0.589SS**Hα-helixtrans-53.2-35.4176179.90000110.6E210 L211 Y212V208-E210 VanDerWaalsContact C-N 3.33Å; V208-E210 PolarHBondContact O-N 3.32Å; V208-L211 PolarHBondContact O-N 2.88Å; V208-Y212 HydrophobicContact CG1-CD2 4.15Å; V208-Y212 PolarHBondContact O-N 2.64Å
209K59.4Low48.5Very low117 Ų117110.3 Ų110.351%0.50958%0.581SS.*Hα-helixtrans-62.8-28173.4-174.8161.7-174.9163.40114.7S207 G213 Q214S207-K209 PolarHBondContact O-N 3.17Å; K209-G213 WeakPolarHBondContact CA-O 3.34Å; K209-G213 CarbonylContact O-C 3.3Å; K209-G213 VanDerWaalsContact O-C 3.23Å; K209-G213 WeakPolarHBondContact O-CA 3.32Å; K209-G213 PolarHBondContact O-N 3.23Å; K209-Q214 HydrophobicContact CD-CB 4.05Å; K209-Q214 VanDerWaalsContact CE-OE1 3.26Å; K209-Q214 HydrophobicContact CG-CB 4.03Å
210E70.1Confident48.8Very low113 Ų113113.9 Ų113.953%0.52860%0.6SS.*Hα-helixtrans-91.1-25.9174.5-76.6-179.886.100114.5K206 S207 V208K206-E210 WeakPolarHBondContact CA-OE2 3.47Å; K206-E210 HydrophobicContact CB-CB 3.79Å; K206-E210 HydrophobicContact CD-CB 4.15Å; K206-E210 HydrophobicContact CG-CB 4.16Å; K206-E210 IonicContact NZ-OE1 3.98Å; S207-E210 PolarHBondContact N-OE2 2.97Å; S207-E210 WeakPolarHBondContact O-CA 3.36Å; S207-E210 WeakPolarHBondContact O-CB 3.44Å; S207-E210 PolarHBondContact O-N 2.68Å; S207-E210 PolarHBondContact OG-N 3.1Å; V208-E210 VanDerWaalsContact C-N 3.33Å; V208-E210 PolarHBondContact O-N 3.32Å
211L63.1Low48.8Very low103 Ų103111.8 Ų111.854%0.53960%0.597SS.*Hα-helixtrans-82.4-35.6178.8-75.3176.2000112.6K206 S207 V208K206-L211 HydrophobicContact CB-CD1 4.48Å; K206-L211 HydrophobicContact CB-CD2 3.79Å; K206-L211 HydrophobicContact CB-CG 3.71Å; K206-L211 HydrophobicContact CD-CD2 4.35Å; K206-L211 WeakPolarHBondContact O-CD1 3.28Å; S207-L211 PolarHBondContact O-N 3.23Å; V208-L211 PolarHBondContact O-N 2.88Å
212Y65.2Low49Very low185 Ų185114.5 Ų114.573%0.72561%0.612SS**SBendtrans-122.82.3-172.2-63.6-83.1000113.8V208V208-Y212 HydrophobicContact CG1-CD2 4.15Å; V208-Y212 PolarHBondContact O-N 2.64Å
213G50.2Low49.1Very low37 Ų37113.9 Ų113.938%0.38162%0.619SS.*  trans68.8178.7-152.800000110.1K209 P215K209-G213 WeakPolarHBondContact CA-O 3.34Å; K209-G213 CarbonylContact O-C 3.3Å; K209-G213 VanDerWaalsContact O-C 3.23Å; K209-G213 WeakPolarHBondContact O-CA 3.32Å; K209-G213 PolarHBondContact O-N 3.23Å; G213-P215 WeakPolarHBondContact O-CD 3.08Å
214Q53.6Low49.1Very low93 Ų93112.6 Ų112.644%0.43561%0.614SS.*SBendtrans-73.4124.3164.8-167.4160.2-20.800107.6K209 S216K209-Q214 HydrophobicContact CD-CB 4.05Å; K209-Q214 VanDerWaalsContact CE-OE1 3.26Å; K209-Q214 HydrophobicContact CG-CB 4.03Å; Q214-S216 PolarHBondContact O-N 3.29Å
215P48.8Very low48.6Very low72 Ų72118.7 Ų118.747%0.46862%0.623SS.*  trans-65.8107.5179.325.1-33000109.2G213 W217G213-P215 WeakPolarHBondContact O-CD 3.08Å; P215-W217 PolarHBondContact O-N 3.02Å
216S55.7Low48Very low96 Ų96112 Ų11267%0.67161%0.613SS**THydrogen-bonded Turntrans-72.248.2-169.9-178.40000114Q214 W218Q214-S216 PolarHBondContact O-N 3.29Å; S216-W218 CarbonylContact C-O 3.46Å; S216-W218 VanDerWaalsContact C-O 3.3Å; S216-W218 VanDerWaalsContact CA-O 3.25Å; S216-W218 WeakPolarHBondContact CA-O 3.4Å
217W42.4Very low46.9Very low197 Ų197117.9 Ų117.975%0.74663%0.634SS**THydrogen-bonded Turntrans-95.2-33.6172.588.8-85.5000111.7P215P215-W217 PolarHBondContact O-N 3.02Å
218W37.7Very low45.4Very low176 Ų176119.8 Ų119.867%0.66765%0.645SS**SBendtrans-78.2110.6133.3-56.1111000105.9S216S216-W218 CarbonylContact C-O 3.46Å; S216-W218 VanDerWaalsContact C-O 3.3Å; S216-W218 VanDerWaalsContact CA-O 3.25Å; S216-W218 WeakPolarHBondContact CA-O 3.4Å
219G34.5Very low44.2Very low49 Ų49123.7 Ų123.751%0.50566%0.657SS.*  trans-55.6149.4161.200000109G221G219-G221 PolarHBondContact O-N 2.83Å
220D40.5Very low42.9Very low121 Ų121125 Ų12565%0.64768%0.675SS**  trans-52.5142.4165.8-93.3-54.2000108.7D222D220-D222 PolarHBondContact O-N 3.26Å
221G37.7Very low41Very low71 Ų71125 Ų12573%0.73269%0.687SS**  trans-7176.7175.900000110.3G219 S223G219-G221 PolarHBondContact O-N 2.83Å; G221-S223 PolarHBondContact O-N 3.44Å; G221-S223 VanDerWaalsContact O-N 3.07Å
222D40.9Very low39.3Very low159 Ų159124.5 Ų124.585%0.8569%0.692SS**  trans-50.1117.8165.5-100.4-27.8000107.4D220 G224D220-D222 PolarHBondContact O-N 3.26Å; D222-G224 VanDerWaalsContact C-N 3.28Å; D222-G224 PolarHBondContact O-N 3.46Å
223S39.3Very low37.6Very low111 Ų111125.6 Ų125.678%0.77670%0.701SS**SBendtrans-79.471.4-151.360.20000112.8G221G221-S223 PolarHBondContact O-N 3.44Å; G221-S223 VanDerWaalsContact O-N 3.07Å
224G36.6Very low36.5Very low62 Ų62127.3 Ų127.364%0.63972%0.718SS**  trans-89.2-29.7177.300000114.4D222D222-G224 VanDerWaalsContact C-N 3.28Å; D222-G224 PolarHBondContact O-N 3.46Å
225Y33.2Very low35.2Very low233 Ų233129.4 Ų129.491%0.91473%0.733SS**  trans-115.176.9179.9-79.2-79.6000112.2Y227Y225-Y227 PolarHBondContact O-N 3.23Å
226S32Very low34.3Very low104 Ų104134.3 Ų134.373%0.72775%0.749SS**PPolyproline II helixtrans-58.7120.4163.7-610000110.4
227Y28.8Very low33.1Very low223 Ų223138.2 Ų138.288%0.87576%0.757SS**PPolyproline II helixtrans-67.3134.9168.7-119.8-93.7000110Y225 H229Y225-Y227 PolarHBondContact O-N 3.23Å; Y227-H229 PolarHBondContact O-N 3.2Å
228P31Very low32.6Very low96 Ų96134.1 Ų134.162%0.62375%0.754SS**PPolyproline II helixtrans-71.5122.8180-17.831.4000112.4
229H28.1Very low32.2Very low179 Ų179131.2 Ų131.283%0.82976%0.756SS**  trans51101.4149.4-47-59.1000119.1Y227Y227-H229 PolarHBondContact O-N 3.2Å
230T32.1Very low31.8Very low146 Ų146137.1 Ų137.190%0.89677%0.769SS**  trans-92.6166.3130.553.20000110.3
231S29.6Very low31.7Very low112 Ų112136.3 Ų136.378%0.78377%0.771SS**  trans-85.1155.8-162.449.20000115.8
232S28.3Very low31.5Very low92 Ų92139.4 Ų139.464%0.64378%0.775SS**  trans75.4103.5135.4-177.40000121.4
233F29.5Very low30.9Very low209 Ų209137.9 Ų137.992%0.91777%0.771SS**  trans53.2133.7136.8-66.7-77.8000121.7
234G26.5Very low30.5Very low72 Ų72136.6 Ų136.674%0.74277%0.767SS**  trans-157.4-9.5-179.500000121
235N26.7Very low30.1Very low138 Ų138138 Ų13874%0.73877%0.768SS**  trans63.5135.9170.7-72.9-30.8000121.3
236Q28.9Very low30Very low174 Ų174137.2 Ų137.281%0.81376%0.763SS**  trans51.9109.7139.1-60.617774.400121
237E30.2Very low29.9Very low178 Ų178142.7 Ų142.783%0.83277%0.774SS**  -166.6153.6112.5-110.7-157.278.300114.5
238T32.5Very low30Very low112 Ų112142.5 Ų142.569%0.68777%0.773SS**  trans42.8132.5139.7-590000122.9
239V28.8Very low29.9Very low115 Ų115142.9 Ų142.970%0.69778%0.778SS**  cis-166.9130.3-35.1116.90000112.1
240H27.7Very low29.9Very low172 Ų172142.3 Ų142.380%0.79678%0.777SS**  trans57-176.2159-65-50.1000119.5
241P38.2Very low29.8Very low104 Ų104144.6 Ų144.668%0.67578%0.775SS**  -140.2146.2-89.241.7-22.8000118.6
242V32Very low29.8Very low136 Ų136143.2 Ų143.282%0.82477%0.771SS**  trans-141.7100.1156.6-178.50000108.2
243V29.9Very low29.9Very low127 Ų127145.7 Ų145.777%0.7778%0.777SS**  50.768.290-170.80000111.9
244A29.1Very low29.9Very low84 Ų84142.8 Ų142.869%0.69477%0.769SS**  88.4153.381.400000115.9
245S29.4Very low30.1Very low93 Ų93145.6 Ų145.665%0.6577%0.767SS**  trans68.174.1155.7-570000119.7
246R31.3Very low30.2Very low216 Ų216146.9 Ų146.982%0.81577%0.773SS**  173.3107.896.4-93.4158.5-79.9-151.9-3.6113.5Y248R246-Y248 HydrophobicContact CG-CD2 4.42Å
247K28.6Very low30.3Very low218 Ų218144.9 Ų144.995%0.94877%0.773SS**  trans-99.998.2148-81.2-170.1175.3-176.70108.1
248Y31.8Very low30.6Very low220 Ų220141.9 Ų141.986%0.86377%0.772SS**  trans-85.8157.7152.4-95.6-83.1000108.9R246R246-Y248 HydrophobicContact CG-CD2 4.42Å
249S28.3Very low30.6Very low103 Ų103144 Ų14472%0.7277%0.774SS**  trans-95.9152.3-162.7-161.40000113.3
250M28.6Very low30.8Very low167 Ų167147.5 Ų147.582%0.82378%0.783SS**  trans36.8108.6149.1-67.4-72.9-171.700118.2
251K29.9Very low31.3Very low194 Ų194145.1 Ų145.184%0.84378%0.776SS**  -151.5135.297.3-108-171.2175.2-160.30111
252A29.4Very low30.8Very low84 Ų84145.7 Ų145.769%0.69478%0.782SS**  trans-92.1137.4166.600000108.6
253D30.7Very low31Very low143 Ų143144.8 Ų144.877%0.76578%0.777SS**  trans-169.7156160.4-90.1-42.9000106.9
254I29.2Very low31Very low149 Ų149149.8 Ų149.876%0.76478%0.782SS**SBendtrans73.395.2168.4-58.5166.5000117.2
255N31.3Very low31.1Very low130 Ų130150.2 Ų150.270%0.69578%0.778SS**  66.493.5129.9-54.8-2.9000121.7
256L27.9Very low31.8Very low166 Ų166150.3 Ų150.387%0.86978%0.776SS**  33.399.6110.9-66.1165.8000117.5
257T32.5Very low31.7Very low131 Ų131144.5 Ų144.580%0.80477%0.774SS**  trans-143.9150.6151.828.30000109.9
258S35Very low32Very low116 Ų116141.4 Ų141.481%0.81176%0.763SS**  trans50.271177.257.40000116.9
259E33.2Very low32.3Very low155 Ų155135.1 Ų135.172%0.72476%0.757SS**  trans-76.1112.4141.8-82.9-96.4143.600107.9N261E259-N261 VanDerWaalsContact CD-ND2 3.28Å; E259-N261 PolarHBondContact OE1-ND2 3.28Å; E259-N261 PolarHBondContact OE2-ND2 3.03Å
260E33.8Very low32.7Very low190 Ų190138.2 Ų138.289%0.88876%0.758SS**  trans-116.158.4163.9-166.5175178.100108.8S262E260-S262 PolarHBondContact O-N 2.94Å
261N36.8Very low33.1Very low122 Ų122136.2 Ų136.265%0.65275%0.754SS**  trans-81.8103.2-175.4-100.7-42.2000111.9E259 T263E259-N261 VanDerWaalsContact CD-ND2 3.28Å; E259-N261 PolarHBondContact OE1-ND2 3.28Å; E259-N261 PolarHBondContact OE2-ND2 3.03Å; N261-T263 VanDerWaalsContact C-N 3.34Å; N261-T263 PolarHBondContact O-N 3.29Å
262S27.3Very low33.5Very low116 Ų116133.8 Ų133.881%0.81175%0.749SS**  trans-71.885.2166.3170.90000111.1E260E260-S262 PolarHBondContact O-N 2.94Å
263T37.2Very low33.8Very low117 Ų117135.9 Ų135.972%0.71875%0.749SS**  trans-139.4110.6149.2-56.70000110.6N261N261-T263 VanDerWaalsContact C-N 3.34Å; N261-T263 PolarHBondContact O-N 3.29Å
264R29.4Very low34Very low232 Ų232137.5 Ų137.588%0.87575%0.749SS**  trans-66.4116.8161.7176.2-178.3-173.8-137.93.4107.2
265P32.3Very low34Very low93 Ų93132.5 Ų132.560%0.60474%0.735SS**  -151.4107.689.436.8-16.7000116A267P265-A267 PolarHBondContact O-N 3.42Å
266P43Very low34.1Very low94 Ų94132.2 Ų132.261%0.6174%0.743SS**  trans-7475145.8-20.334.8000109.9
267A30.6Very low34.3Very low94 Ų94128.9 Ų128.978%0.77773%0.733SS**  trans-97.921.3143.700000110.1P265 A269P265-A267 PolarHBondContact O-N 3.42Å; A267-A269 PolarHBondContact O-N 2.83Å
268E34.6Very low34.2Very low154 Ų154129.4 Ų129.472%0.7272%0.724SS**SBendtrans-48.9124.1144-67.2-164.7147.700107.5F270E268-F270 VanDerWaalsContact C-N 3.28Å; E268-F270 WeakPolarHBondContact O-CD1 3.33Å; E268-F270 PolarHBondContact O-N 3.34Å
269A36.9Very low34.2Very low87 Ų87128 Ų12872%0.71971%0.712SS**  trans-63.2100.5161.800000106.2A267 V271A267-A269 PolarHBondContact O-N 2.83Å; A269-V271 PolarHBondContact O-N 3.49Å
270F36.2Very low34.1Very low169 Ų169127.8 Ų127.874%0.74171%0.705SS**  trans-60.695.917217.4-89.6000107.3E268 I272E268-F270 VanDerWaalsContact C-N 3.28Å; E268-F270 WeakPolarHBondContact O-CD1 3.33Å; E268-F270 PolarHBondContact O-N 3.34Å; F270-I272 PolarHBondContact O-N 2.95Å; F270-I272 VanDerWaalsContact O-N 3.12Å
271V38.6Very low34.1Very low125 Ų125127 Ų12776%0.75871%0.706SS**  trans-53.9120.7175.4175.60000106.1A269 D273A269-V271 PolarHBondContact O-N 3.49Å; V271-D273 PolarHBondContact O-N 3.25Å
272I36.7Very low33.7Very low142 Ų142129.6 Ų129.673%0.72871%0.714SS**  trans-72.180.1170.6-59.5178.3000106.2F270 F274F270-I272 PolarHBondContact O-N 2.95Å; F270-I272 VanDerWaalsContact O-N 3.12Å; I272-F274 HydrophobicContact CG2-CD2 3.56Å; I272-F274 HydrophobicContact CG2-CE2 4.12Å; I272-F274 HydrophobicContact CG2-CG 4.46Å; I272-F274 PolarHBondContact O-N 3.04Å
273D36.2Very low33.9Very low129 Ų129134.8 Ų134.869%0.6972%0.716SS**  trans-73.977168.4-171.45.8000108.9V271 G275V271-D273 PolarHBondContact O-N 3.25Å; D273-G275 VanDerWaalsContact C-N 3.32Å; D273-G275 WeakPolarHBondContact OD1-CA 3.41Å; D273-G275 PolarHBondContact OD1-N 3.22Å
274F34.3Very low33.7Very low176 Ų176135.3 Ų135.377%0.77272%0.722SS**  trans-99.367.3147.9-71.3-58.1000109I272I272-F274 HydrophobicContact CG2-CD2 3.56Å; I272-F274 HydrophobicContact CG2-CE2 4.12Å; I272-F274 HydrophobicContact CG2-CG 4.46Å; I272-F274 PolarHBondContact O-N 3.04Å
275G29.4Very low33.8Very low45 Ų45128.5 Ų128.546%0.46471%0.714SS.*  trans-39.8146.3156.500000111.8D273 S277D273-G275 VanDerWaalsContact C-N 3.32Å; D273-G275 WeakPolarHBondContact OD1-CA 3.41Å; D273-G275 PolarHBondContact OD1-N 3.22Å; G275-S277 PolarHBondContact O-N 3.06Å
276S33.7Very low33.8Very low123 Ų123129.8 Ų129.886%0.8673%0.726SS**SBendtrans-62.486.4-146.850.90000116.9
277S31.8Very low33.3Very low96 Ų96133.4 Ų133.467%0.67174%0.739SS**  trans-111.851.5164.753.80000112.3G275 P279G275-S277 PolarHBondContact O-N 3.06Å; S277-P279 WeakPolarHBondContact O-CD 3.39Å
278K31.2Very low33.3Very low142 Ų142134.2 Ų134.262%0.61774%0.739SS**  trans-54.9123.3174.7-76.7-177.1177.4-179.70112.1R280 K1428K278-R280 HydrophobicContact CB-CB 4.35Å; K278-K1428 PolarHBondContact O-NZ 3.03Å
279P34.1Very low33.1Very low86 Ų86129.6 Ų129.656%0.55873%0.733SS**  -122.148.9122.438.1-34.4000113.9S277 K1428S277-P279 WeakPolarHBondContact O-CD 3.39Å; P279-K1428 HydrophobicContact CB-CD 3.87Å
280R31.7Very low32.9Very low152 Ų152130.2 Ų130.257%0.57473%0.732SS**  trans44.387.8130.8-173.8-172.3-178.7149.3-1115.5K278 I1429K278-R280 HydrophobicContact CB-CB 4.35Å; R280-I1429 VanDerWaalsContact NH1-CD1 3.27Å
281L34.3Very low32.8Very low174 Ų174129.3 Ų129.391%0.91173%0.734SS**  trans-132.470.1167.9-166.469.3000111.1
282E28.1Very low32.7Very low176 Ų176128 Ų12882%0.82273%0.73SS**  trans-95.489.7175.1-74.3176.7117.300111.4
283R31Very low33.1Very low225 Ų225129.3 Ų129.385%0.84973%0.733SS**  trans-158.1112.2137.2-171.8170.5-178.486.2-1107.6A285R283-A285 PolarHBondContact O-N 3.37Å; R283-A285 VanDerWaalsContact O-N 3.1Å
284P34.3Very low33.8Very low128 Ų128128.5 Ų128.583%0.83174%0.736SS**  trans-61.3115.9178.1-24.434.9000110.9
285A31.5Very low35Very low88 Ų88123.7 Ų123.773%0.72772%0.721SS**  trans-72.5140.6154.500000107.9R283 L287R283-A285 PolarHBondContact O-N 3.37Å; R283-A285 VanDerWaalsContact O-N 3.1Å; A285-L287 PolarHBondContact O-N 2.98Å
286S31Very low37.4Very low120 Ų120125.3 Ų125.384%0.83972%0.724SS**  trans-66.6100.2178.531.40000110.6S288S286-S288 PolarHBondContact O-N 3.27Å
287L33.8Very low39.2Very low170 Ų170126.3 Ų126.389%0.8972%0.719SS**  trans-71.878.6167.2-91.2169.4000110A285 G289A285-L287 PolarHBondContact O-N 2.98Å; L287-G289 PolarHBondContact O-N 2.91Å
288S29Very low41.6Very low112 Ų112130.5 Ų130.578%0.78373%0.725SS**  trans-67.166.3154.4-171.80000109S286S286-S288 PolarHBondContact O-N 3.27Å
289G30.5Very low44Very low57 Ų57128.9 Ų128.959%0.58872%0.722SS**  trans-104.878.1176.600000108.9L287 L291L287-G289 PolarHBondContact O-N 2.91Å; G289-L291 PolarHBondContact O-N 3.01Å; G289-L291 VanDerWaalsContact O-N 3.11Å
290S33.1Very low46.5Very low99 Ų99131.9 Ų131.969%0.69272%0.723SS**  trans-55.1116.2-173.4-47.80000111.3S292S290-S292 PolarHBondContact O-N 3.21Å
291L33.7Very low49.1Very low150 Ų150131 Ų13179%0.78573%0.725SS**  trans-74.484.1170.2-155.3165000107.7G289 Q293G289-L291 PolarHBondContact O-N 3.01Å; G289-L291 VanDerWaalsContact O-N 3.11Å; L291-Q293 HydrophobicContact CD2-CB 3.83Å; L291-Q293 HydrophobicContact CD2-CG 4.47Å; L291-Q293 PolarHBondContact O-N 3.14Å
292S38Very low51.9Low97 Ų97124.7 Ų124.768%0.67870%0.702SS**  trans-70.465.6177.256.90000110.4S290 C294S290-S292 PolarHBondContact O-N 3.21Å; S292-C294 PolarHBondContact O-N 3.27Å; S292-C294 PolarHBondContact O-SG 3.07Å; S292-C294 VanDerWaalsContact O-SG 3.39Å
293Q43.6Very low54.9Low171 Ų171121 Ų12180%0.79969%0.687SS**  trans-60.3109.6176.8-163.6163.811.600107.4L291 V295L291-Q293 HydrophobicContact CD2-CB 3.83Å; L291-Q293 HydrophobicContact CD2-CG 4.47Å; L291-Q293 PolarHBondContact O-N 3.14Å; Q293-V295 PolarHBondContact O-N 2.93Å; Q293-V295 VanDerWaalsContact O-N 3.12Å
294C52.1Low57.7Low111 Ų111114.3 Ų114.375%0.7567%0.668SS**PPolyproline II helixtrans-63.9119.1-153.4-66.30000111.5S292 P296S292-C294 PolarHBondContact O-N 3.27Å; S292-C294 PolarHBondContact O-SG 3.07Å; S292-C294 VanDerWaalsContact O-SG 3.39Å; C294-P296 WeakPolarHBondContact O-CD 3.49Å; C294-P296 VanDerWaalsContact O-N 3.09Å
295V60Low60.3Low75 Ų75111.1 Ų111.146%0.45564%0.642SS.*PPolyproline II helixtrans-48.2119.3163.71780000106.9Q293 L297 L299 R300 L303Q293-V295 PolarHBondContact O-N 2.93Å; Q293-V295 VanDerWaalsContact O-N 3.12Å; V295-L297 PolarHBondContact O-N 2.83Å; V295-L299 HydrophobicContact CG1-CB 3.65Å; V295-R300 HydrophobicContact CB-CB 4.43Å; V295-R300 HydrophobicContact CG1-CB 4.18Å; V295-L303 HydrophobicContact CG1-CD1 4.4Å
296P78.3Confident63.2Low80 Ų80115.1 Ų115.152%0.51964%0.638SS.*PPolyproline II helixtrans-50.3139-172.7-31.735.1000111.6C294 K298 L299 R300C294-P296 WeakPolarHBondContact O-CD 3.49Å; C294-P296 VanDerWaalsContact O-N 3.09Å; P296-K298 CarbonylContact O-C 3.6Å; P296-K298 PolarHBondContact O-N 3.49Å; P296-L299 HydrophobicContact CG-CD1 4.24Å; P296-L299 CarbonylContact O-C 3.28Å; P296-L299 WeakPolarHBondContact O-CA 3.47Å; P296-L299 WeakPolarHBondContact O-CB 3.02Å; P296-L299 PolarHBondContact O-N 3.41Å; P296-R300 PolarHBondContact O-N 2.8Å
297L73.1Confident66.1Low144 Ų144114 Ų11475%0.75462%0.62SS**Hα-helixtrans-50.1-34.6-169.7-90.3162.9000114.3V295 Q301V295-L297 PolarHBondContact O-N 2.83Å; L297-Q301 WeakPolarHBondContact O-CB 3.47Å; L297-Q301 PolarHBondContact O-N 3.27Å
298K80.6Confident69Low183 Ų183110.9 Ų110.980%0.79660%0.596SS**Hα-helixtrans-69.2-39.2173-72.3-172.2174.3-175.30114.3P296 G302P296-K298 CarbonylContact O-C 3.6Å; P296-K298 PolarHBondContact O-N 3.49Å; K298-G302 PolarHBondContact O-N 3.3Å
299L82Confident72Confident108 Ų108112.5 Ų112.557%0.56559%0.585SS**Hα-helixtrans-70.9-37.2173.6-77.1174.4000111V295 P296 G302 L303V295-L299 HydrophobicContact CG1-CB 3.65Å; P296-L299 HydrophobicContact CG-CD1 4.24Å; P296-L299 CarbonylContact O-C 3.28Å; P296-L299 WeakPolarHBondContact O-CA 3.47Å; P296-L299 WeakPolarHBondContact O-CB 3.02Å; P296-L299 PolarHBondContact O-N 3.41Å; L299-G302 PolarHBondContact O-N 2.89Å; L299-L303 WeakPolarHBondContact O-CB 3.38Å; L299-L303 WeakPolarHBondContact O-CG 3.46Å; L299-L303 PolarHBondContact O-N 3.48Å
300R86.5Confident74.9Confident150 Ų150114 Ų11457%0.56658%0.579SS**Hα-helixtrans-64.5-51.3173.8-174.8170.3178.2173.83.1111.1V295 P296 G302 L303 D304V295-R300 HydrophobicContact CB-CB 4.43Å; V295-R300 HydrophobicContact CG1-CB 4.18Å; P296-R300 PolarHBondContact O-N 2.8Å; R300-G302 VanDerWaalsContact C-N 3.26Å; R300-G302 PolarHBondContact O-N 3.28Å; R300-L303 PolarHBondContact O-N 3.3Å; R300-L303 VanDerWaalsContact O-N 3.16Å; R300-D304 WeakPolarHBondContact CG-OD2 3.48Å; R300-D304 IonicContact NE-OD2 3.74Å; R300-D304 WeakPolarHBondContact O-CB 3.19Å; R300-D304 PolarHBondContact O-N 3Å
301Q87Confident77.7Confident133 Ų133115.3 Ų115.362%0.62157%0.572SS**Hα-helixtrans-56.6-38.4170.7-82.3-175.5-44.600112.6L297 E305L297-Q301 WeakPolarHBondContact O-CB 3.47Å; L297-Q301 PolarHBondContact O-N 3.27Å; Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 3.46Å
302G92.9Very high80.4Confident41 Ų41112.8 Ų112.842%0.42356%0.556SS.*Hα-helixtrans-68.8-30.9178.500000114.2K298 L299 R300 R306K298-G302 PolarHBondContact O-N 3.3Å; L299-G302 PolarHBondContact O-N 2.89Å; R300-G302 VanDerWaalsContact C-N 3.26Å; R300-G302 PolarHBondContact O-N 3.28Å; G302-R306 WeakPolarHBondContact O-CB 3.42Å; G302-R306 PolarHBondContact O-N 3.03Å
303L91.6Very high82.7Confident100 Ų100115.1 Ų115.152%0.52455%0.554SS.*Hα-helixtrans-79-49.1172.1-70.7171.1000110.9V295 L299 R300 E305 R306 E307V295-L303 HydrophobicContact CG1-CD1 4.4Å; L299-L303 WeakPolarHBondContact O-CB 3.38Å; L299-L303 WeakPolarHBondContact O-CG 3.46Å; L299-L303 PolarHBondContact O-N 3.48Å; R300-L303 PolarHBondContact O-N 3.3Å; R300-L303 VanDerWaalsContact O-N 3.16Å; L303-E305 VanDerWaalsContact C-N 3.32Å; L303-E305 PolarHBondContact O-N 2.84Å; L303-R306 PolarHBondContact O-N 2.94Å; L303-R306 VanDerWaalsContact O-N 3.12Å; L303-E307 WeakPolarHBondContact O-CB 3.45Å; L303-E307 PolarHBondContact O-N 3.25Å
304D88.6Confident84.6Confident83 Ų83113.7 Ų113.744%0.44455%0.548SS..Hα-helixtrans-57.4-42.9177.5-64.6-16.9000110.9R300 R308R300-D304 WeakPolarHBondContact CG-OD2 3.48Å; R300-D304 IonicContact NE-OD2 3.74Å; R300-D304 WeakPolarHBondContact O-CB 3.19Å; R300-D304 PolarHBondContact O-N 3Å; D304-R308 VanDerWaalsContact O-CB 3.25Å; D304-R308 WeakPolarHBondContact O-CB 3.31Å; D304-R308 PolarHBondContact O-N 3.44Å
305E90.1Very high85.8Confident62 Ų62113.1 Ų113.129%0.2954%0.537SS..Hα-helixtrans-72-35.3175.9176.360.2-16900112.6Q301 L303 R308 R309Q301-E305 WeakPolarHBondContact O-CB 3.43Å; Q301-E305 PolarHBondContact O-N 3.46Å; L303-E305 VanDerWaalsContact C-N 3.32Å; L303-E305 PolarHBondContact O-N 2.84Å; E305-R308 PolarHBondContact O-N 3.26Å; E305-R308 IonicContact OE1-CZ 2.58Å; E305-R308 IonicContact OE1-NE 2.73Å; E305-R308 IonicContact OE1-NH2 2.9Å; E305-R308 PolarHBondContact OE1-NH2 2.78Å; E305-R308 IonicContact OE2-CZ 2.81Å; E305-R308 IonicContact OE2-NE 2.89Å; E305-R308 PolarHBondContact OE2-NE 3.5Å; E305-R308 IonicContact OE2-NH2 2.62Å; E305-R308 PolarHBondContact OE2-NH2 3.04Å; E305-R309 WeakPolarHBondContact O-CB 3.32Å; E305-R309 WeakPolarHBondContact O-CG 3.49Å; E305-R309 PolarHBondContact O-N 3.35Å; E305-R309 IonicContact OE1-CZ 2.98Å; E305-R309 IonicContact OE1-NE 2.76Å; E305-R309 PolarHBondContact OE1-NE 2.96Å; E305-R309 IonicContact OE1-NH2 2.67Å; E305-R309 PolarHBondContact OE1-NH2 2.88Å
306R91.8Very high86.5Confident171 Ų171114.7 Ų114.765%0.64554%0.539SS*.Hα-helixtrans-65.2-45.3173.5179.6-177.8-66.7-146.5-2110.4G302 L303 R309 I310G302-R306 WeakPolarHBondContact O-CB 3.42Å; G302-R306 PolarHBondContact O-N 3.03Å; L303-R306 PolarHBondContact O-N 2.94Å; L303-R306 VanDerWaalsContact O-N 3.12Å; R306-R309 PolarHBondContact O-N 2.71Å; R306-I310 HydrophobicContact CG-CD1 4.01Å; R306-I310 VanDerWaalsContact O-CG1 3.28Å; R306-I310 WeakPolarHBondContact O-CG1 3.5Å; R306-I310 PolarHBondContact O-N 2.89Å
307E92.6Very high86.2Confident96 Ų96115.5 Ų115.545%0.44954%0.542SS..Hα-helixtrans-67.9-38.1177.1-164-178.4146.100111.3L303 R309 I310 K311L303-E307 WeakPolarHBondContact O-CB 3.45Å; L303-E307 PolarHBondContact O-N 3.25Å; E307-R309 PolarHBondContact O-N 3.38Å; E307-I310 PolarHBondContact O-N 3.02Å; E307-K311 HydrophobicContact CG-CD 4.39Å; E307-K311 WeakPolarHBondContact O-CB 3.37Å; E307-K311 WeakPolarHBondContact O-CG 3.45Å; E307-K311 PolarHBondContact O-N 3.34Å; E307-K311 WeakPolarHBondContact OE1-CE 3.42Å; E307-K311 IonicContact OE1-NZ 3.41Å; E307-K311 PolarHBondContact OE1-NZ 3.08Å
308R93.2Very high86.2Confident105 Ų105115.3 Ų115.340%0.39654%0.535SS..Hα-helixtrans-57.6-47.8170.6-166.2-165.268.56712.8110.9D304 E305 I310 K311 E312D304-R308 VanDerWaalsContact O-CB 3.25Å; D304-R308 WeakPolarHBondContact O-CB 3.31Å; D304-R308 PolarHBondContact O-N 3.44Å; E305-R308 PolarHBondContact O-N 3.26Å; E305-R308 IonicContact OE1-CZ 2.58Å; E305-R308 IonicContact OE1-NE 2.73Å; E305-R308 IonicContact OE1-NH2 2.9Å; E305-R308 PolarHBondContact OE1-NH2 2.78Å; E305-R308 IonicContact OE2-CZ 2.81Å; E305-R308 IonicContact OE2-NE 2.89Å; E305-R308 PolarHBondContact OE2-NE 3.5Å; E305-R308 IonicContact OE2-NH2 2.62Å; E305-R308 PolarHBondContact OE2-NH2 3.04Å; R308-I310 PolarHBondContact O-N 3.46Å; R308-K311 PolarHBondContact O-N 3.37Å; R308-E312 IonicContact CZ-OE2 3.8Å; R308-E312 IonicContact NH1-OE1 3.4Å; R308-E312 PolarHBondContact NH1-OE1 3.47Å; R308-E312 IonicContact NH1-OE2 3.66Å; R308-E312 PolarHBondContact NH1-OE2 3.25Å; R308-E312 IonicContact NH2-OE2 3.21Å; R308-E312 PolarHBondContact NH2-OE2 3.45Å; R308-E312 VanDerWaalsContact NH2-OE2 3.16Å; R308-E312 WeakPolarHBondContact O-CB 3.4Å; R308-E312 PolarHBondContact O-N 2.99Å
309R92.9Very high85.4Confident146 Ų146113.2 Ų113.255%0.55153%0.526SS*.Hα-helixtrans-64.8-35.8176.3-73.4178.3-165.5-146.3-3.7113.3E305 R306 E307 K313E305-R309 WeakPolarHBondContact O-CB 3.32Å; E305-R309 WeakPolarHBondContact O-CG 3.49Å; E305-R309 PolarHBondContact O-N 3.35Å; E305-R309 IonicContact OE1-CZ 2.98Å; E305-R309 IonicContact OE1-NE 2.76Å; E305-R309 PolarHBondContact OE1-NE 2.96Å; E305-R309 IonicContact OE1-NH2 2.67Å; E305-R309 PolarHBondContact OE1-NH2 2.88Å; R306-R309 PolarHBondContact O-N 2.71Å; E307-R309 PolarHBondContact O-N 3.38Å; R309-K313 WeakPolarHBondContact O-CB 3.44Å; R309-K313 WeakPolarHBondContact O-CG 3.26Å; R309-K313 PolarHBondContact O-N 2.89Å
310I92.1Very high84Confident89 Ų89114.5 Ų114.546%0.45653%0.529SS..Hα-helixtrans-66.9-45174.9-70.2163.9000110.2R306 E307 R308 Q314R306-I310 HydrophobicContact CG-CD1 4.01Å; R306-I310 VanDerWaalsContact O-CG1 3.28Å; R306-I310 WeakPolarHBondContact O-CG1 3.5Å; R306-I310 PolarHBondContact O-N 2.89Å; E307-I310 PolarHBondContact O-N 3.02Å; R308-I310 PolarHBondContact O-N 3.46Å; I310-Q314 WeakPolarHBondContact O-CB 2.95Å; I310-Q314 WeakPolarHBondContact O-CG 3.28Å; I310-Q314 PolarHBondContact O-N 2.99Å
311K91Very high82.1Confident127 Ų127112.1 Ų112.155%0.55254%0.536SS*.Hα-helixtrans-67.8-37.1176.1-71.9176.6-176.7171.30112.4E307 R308 Q314 L315E307-K311 HydrophobicContact CG-CD 4.39Å; E307-K311 WeakPolarHBondContact O-CB 3.37Å; E307-K311 WeakPolarHBondContact O-CG 3.45Å; E307-K311 PolarHBondContact O-N 3.34Å; E307-K311 WeakPolarHBondContact OE1-CE 3.42Å; E307-K311 IonicContact OE1-NZ 3.41Å; E307-K311 PolarHBondContact OE1-NZ 3.08Å; R308-K311 PolarHBondContact O-N 3.37Å; K311-Q314 PolarHBondContact O-N 3.25Å; K311-L315 VanDerWaalsContact O-CB 3.26Å; K311-L315 WeakPolarHBondContact O-CB 3.47Å; K311-L315 PolarHBondContact O-N 2.9Å
312E89.7Confident80Confident96 Ų96110.8 Ų110.845%0.44954%0.537SS..Hα-helixtrans-62.2-51.2173.8-179.8164.4-11400110.7R308 Q314 L315 E316R308-E312 IonicContact CZ-OE2 3.8Å; R308-E312 IonicContact NH1-OE1 3.4Å; R308-E312 PolarHBondContact NH1-OE1 3.47Å; R308-E312 IonicContact NH1-OE2 3.66Å; R308-E312 PolarHBondContact NH1-OE2 3.25Å; R308-E312 IonicContact NH2-OE2 3.21Å; R308-E312 PolarHBondContact NH2-OE2 3.45Å; R308-E312 VanDerWaalsContact NH2-OE2 3.16Å; R308-E312 WeakPolarHBondContact O-CB 3.4Å; R308-E312 PolarHBondContact O-N 2.99Å; E312-Q314 PolarHBondContact O-N 2.75Å; E312-L315 PolarHBondContact O-N 2.64Å; E312-L315 VanDerWaalsContact O-N 3.17Å; E312-E316 WeakPolarHBondContact O-CB 3.33Å; E312-E316 PolarHBondContact O-N 2.72Å
313K87.7Confident77.3Confident147 Ų147113.5 Ų113.564%0.63955%0.549SS*.Hα-helixtrans-61.7-40.9173.9-76.1-166.9171.7-161.10112.9R309 L315 E316 V317R309-K313 WeakPolarHBondContact O-CB 3.44Å; R309-K313 WeakPolarHBondContact O-CG 3.26Å; R309-K313 PolarHBondContact O-N 2.89Å; K313-L315 VanDerWaalsContact C-N 3.35Å; K313-E316 PolarHBondContact O-N 2.89Å; K313-V317 WeakPolarHBondContact O-CB 3.39Å; K313-V317 VanDerWaalsContact O-CG2 3.28Å; K313-V317 WeakPolarHBondContact O-CG2 3.27Å; K313-V317 PolarHBondContact O-N 2.76Å
314Q82.8Confident74.7Confident141 Ų141111.9 Ų111.966%0.65956%0.557SS**Hα-helixtrans-65.9-36.1174.2-79.8-156.93600112.5I310 K311 E312 K318I310-Q314 WeakPolarHBondContact O-CB 2.95Å; I310-Q314 WeakPolarHBondContact O-CG 3.28Å; I310-Q314 PolarHBondContact O-N 2.99Å; K311-Q314 PolarHBondContact O-N 3.25Å; E312-Q314 PolarHBondContact O-N 2.75Å; Q314-K318 WeakPolarHBondContact O-CB 3.39Å; Q314-K318 PolarHBondContact O-N 2.86Å
315L77.7Confident72.2Confident99 Ų99116.5 Ų116.552%0.51858%0.578SS.*Hα-helixtrans-73.4-31.5176.6-158.379.9000111.8K311 E312 K313 K319K311-L315 VanDerWaalsContact O-CB 3.26Å; K311-L315 WeakPolarHBondContact O-CB 3.47Å; K311-L315 PolarHBondContact O-N 2.9Å; E312-L315 PolarHBondContact O-N 2.64Å; E312-L315 VanDerWaalsContact O-N 3.17Å; K313-L315 VanDerWaalsContact C-N 3.35Å; L315-K319 VanDerWaalsContact O-CB 3.31Å; L315-K319 WeakPolarHBondContact O-CB 3.2Å; L315-K319 WeakPolarHBondContact O-CG 3.31Å; L315-K319 PolarHBondContact O-N 2.86Å
316E74.4Confident69.6Low107 Ų107119.6 Ų119.650%0.560%0.601SS.*Hα-helixtrans-69.7-49.9173-177.1166.7-141.400111.3E312 K313 K318 K319 Q320E312-E316 WeakPolarHBondContact O-CB 3.33Å; E312-E316 PolarHBondContact O-N 2.72Å; K313-E316 PolarHBondContact O-N 2.89Å; E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.25Å; E316-K319 PolarHBondContact O-N 2.72Å; E316-K319 VanDerWaalsContact O-N 3.1Å; E316-Q320 WeakPolarHBondContact O-CG 3.28Å; E316-Q320 PolarHBondContact O-N 3.15Å
317V72.8Confident66.9Low97 Ų97118.4 Ų118.459%0.58861%0.607SS**Hα-helixtrans-57.1-42.1170.8169.60000110.7K313 Q320 S321K313-V317 WeakPolarHBondContact O-CB 3.39Å; K313-V317 VanDerWaalsContact O-CG2 3.28Å; K313-V317 WeakPolarHBondContact O-CG2 3.27Å; K313-V317 PolarHBondContact O-N 2.76Å; V317-Q320 PolarHBondContact O-N 3Å; V317-S321 WeakPolarHBondContact O-CB 3.44Å; V317-S321 PolarHBondContact O-N 2.92Å
318K72.2Confident64.1Low141 Ų141122.5 Ų122.561%0.61362%0.624SS**Hα-helixtrans-68.3-34.6176-171.5164.7-175.51690112.6Q314 E316 T322Q314-K318 WeakPolarHBondContact O-CB 3.39Å; Q314-K318 PolarHBondContact O-N 2.86Å; E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.25Å; K318-T322 VanDerWaalsContact O-CB 3.23Å; K318-T322 WeakPolarHBondContact O-CB 3.12Å; K318-T322 PolarHBondContact O-N 3.33Å; K318-T322 PolarHBondContact O-OG1 3.11Å
319K63Low61.3Low139 Ų139124.7 Ų124.760%0.60464%0.643SS**Hα-helixtrans-67.7-44.4173.9-81.5170.5178.7-178.10111.8L315 E316 T322L315-K319 VanDerWaalsContact O-CB 3.31Å; L315-K319 WeakPolarHBondContact O-CB 3.2Å; L315-K319 WeakPolarHBondContact O-CG 3.31Å; L315-K319 PolarHBondContact O-N 2.86Å; E316-K319 PolarHBondContact O-N 2.72Å; E316-K319 VanDerWaalsContact O-N 3.1Å; K319-T322 CarbonylContact O-C 3.28Å; K319-T322 PolarHBondContact O-N 3.07Å
320Q53.1Low58.2Low134 Ų134123.6 Ų123.663%0.62665%0.653SS**Hα-helixtrans-64.2-42.8175-66.7-179.915.100110.9E316 V317 T322 S323E316-Q320 WeakPolarHBondContact O-CG 3.28Å; E316-Q320 PolarHBondContact O-N 3.15Å; V317-Q320 PolarHBondContact O-N 3Å; Q320-T322 VanDerWaalsContact C-N 3.28Å; Q320-T322 PolarHBondContact O-N 3.35Å; Q320-S323 PolarHBondContact O-OG 2.7Å
321S47.5Very low55Low100 Ų100125.2 Ų125.270%0.69967%0.666SS**Hα-helixtrans-71.4-14.8175.7-167.20000114.4V317V317-S321 WeakPolarHBondContact O-CB 3.44Å; V317-S321 PolarHBondContact O-N 2.92Å
322T41.6Very low52.2Low106 Ų106125.3 Ų125.365%0.6568%0.678SS**THydrogen-bonded Turntrans-113.143.2175.9-37.60000111.4K318 K319 Q320K318-T322 VanDerWaalsContact O-CB 3.23Å; K318-T322 WeakPolarHBondContact O-CB 3.12Å; K318-T322 PolarHBondContact O-N 3.33Å; K318-T322 PolarHBondContact O-OG1 3.11Å; K319-T322 CarbonylContact O-C 3.28Å; K319-T322 PolarHBondContact O-N 3.07Å; Q320-T322 VanDerWaalsContact C-N 3.28Å; Q320-T322 PolarHBondContact O-N 3.35Å
323S37.5Very low49.1Very low97 Ų97125.9 Ų125.968%0.67869%0.688SS**  trans-133.538.9175.966.20000114.1Q320Q320-S323 PolarHBondContact O-OG 2.7Å
324G37.5Very low46.4Very low66 Ų66127.1 Ų127.168%0.6870%0.698SS**  trans-170.6140.116800000109.9
325M35.7Very low43.7Very low180 Ų180123 Ų12389%0.88769%0.685SS**  cis-124.8144.13.3-74.3158.546.800111N327M325-N327 PolarHBondContact O-N 2.86Å
326V34.5Very low41.5Very low128 Ų128123.7 Ų123.778%0.77669%0.689SS**  trans-77.6114.9172.1175.30000109.6K328V326-K328 PolarHBondContact O-N 2.85Å
327N34.8Very low39.4Very low145 Ų145119.9 Ų119.978%0.77567%0.674SS**  trans-69.6124.2169-106.6-7.2000110.1M325 N329M325-N327 PolarHBondContact O-N 2.86Å; N327-N329 PolarHBondContact O-N 2.93Å
328K33.9Very low37.3Very low183 Ų183121.4 Ų121.480%0.79667%0.673SS**  trans-93.973-168.6-65.6177.3-177.7171.20112V326 T330V326-K328 PolarHBondContact O-N 2.85Å; K328-T330 VanDerWaalsContact C-N 3.31Å; K328-T330 PolarHBondContact O-N 3.39Å
329N34.2Very low35.2Very low151 Ų151119.9 Ų119.981%0.80767%0.666SS**  trans-77.483.5173.4-77.729000111.7N327N327-N329 PolarHBondContact O-N 2.93Å
330T28.4Very low33.8Very low122 Ų122117.1 Ų117.175%0.74867%0.665SS**  trans26.9111.6132.5-51.20000118.3K328K328-T330 VanDerWaalsContact C-N 3.31Å; K328-T330 PolarHBondContact O-N 3.39Å
331V25.7Very low32.6Very low123 Ų123114.7 Ų114.775%0.74566%0.659SS**  trans62.3109.9150.5-1790000117.6
332T31.3Very low31.6Very low129 Ų129111.2 Ų111.279%0.79163%0.634SS**  -152.9134.4109.1-76.40000111.4
333T25.5Very low31Very low109 Ų109112.8 Ų112.867%0.66964%0.644SS**  trans-21.6127.8162.6-40.40000116.3
334M29.8Very low30.5Very low173 Ų173112.5 Ų112.585%0.85264%0.638SS**  -170.9129.7117.1-99.5-59.6-96.100113.4N336M334-N336 PolarHBondContact O-N 3.46Å
335S26.4Very low30.1Very low54 Ų54118.2 Ų118.238%0.37864%0.644SS.*  trans-71.6114.9-174.6-50.80000113.1
336N32.2Very low29.7Very low113 Ų113114.8 Ų114.860%0.60464%0.638SS**  trans-159.5106.7145.8-83.1-60.3000108.9M334 K912M334-N336 PolarHBondContact O-N 3.46Å; N336-K912 VanDerWaalsContact OD1-CE 3.26Å; N336-K912 WeakPolarHBondContact OD1-CE 3.5Å; N336-K912 PolarHBondContact OD1-NZ 3.08Å
337S28.9Very low29.3Very low27 Ų27119.2 Ų119.219%0.18964%0.64CS.*  65.881.969.682.20000112.4Q910 K912S337-Q910 VanDerWaalsContact CA-O 3.28Å; S337-Q910 WeakPolarHBondContact CA-O 3.33Å; S337-K912 VanDerWaalsContact OG-CB 3.27Å; S337-K912 WeakPolarHBondContact OG-CB 3.38Å; S337-K912 WeakPolarHBondContact OG-CD 3.18Å; S337-K912 WeakPolarHBondContact OG-CG 3.32Å
338K30.6Very low29Very low130 Ų130117.9 Ų117.957%0.56564%0.638SS**  62.892.262.6-175.1-175.1163.2-177.50116T911 K912K338-T911 HydrophobicContact CD-CG2 3.7Å; K338-T911 HydrophobicContact CG-CG2 4.25Å; K338-K912 CarbonylContact C-O 3.06Å; K338-K912 VanDerWaalsContact C-O 3.28Å; K338-K912 CarbonylContact O-C 3.5Å; K338-K912 VanDerWaalsContact O-C 3.29Å; K338-K912 PolarHBondContact O-N 2.82Å
339F26.6Very low28.6Very low108 Ų108115.8 Ų115.847%0.47464%0.635SS.*  trans159.8175.3137.4-82.7-83.8000111.9T911 K912 Q913 L914F339-T911 HydrophobicContact CD2-CG2 4.04Å; F339-T911 HydrophobicContact CE2-CG2 3.58Å; F339-T911 HydrophobicContact CZ-CG2 4.41Å; F339-K912 WeakPolarHBondContact CB-O 3.47Å; F339-K912 PolarHBondContact N-O 2.93Å; F339-Q913 HydrophobicContact CD2-CB 4.28Å; F339-Q913 HydrophobicContact CD2-CG 3.7Å; F339-Q913 HydrophobicContact CE2-CG 3.54Å; F339-Q913 HydrophobicContact CZ-CG 4.24Å; F339-L914 WeakPolarHBondContact CB-O 3.45Å
340S34.5Very low28.2Very low81 Ų81115.4 Ų115.457%0.56663%0.63SS**  trans-156.6100.8-176.6-175.70000118.1P915 Q916S340-P915 CarbonylContact C-O 3.29Å; S340-P915 CarbonylContact O-C 3.53Å; S340-Q916 CarbonylContact O-C 3.56Å; S340-Q916 WeakPolarHBondContact O-CA 3.41Å; S340-Q916 PolarHBondContact O-N 3.05Å; S340-Q916 VanDerWaalsContact O-O 3.11Å
341T26.8Very low28.2Very low83 Ų83116.5 Ų116.551%0.50963%0.631SS.*  trans-116.3129.3-149.1-33.9000098.6L914 P915 Q916T341-L914 VanDerWaalsContact N-C 3.3Å; T341-L914 PolarHBondContact OG1-O 3.31Å; T341-P915 HydrophobicContact CG2-CB 2.7Å; T341-P915 HydrophobicContact CG2-CG 3.04Å; T341-P915 VanDerWaalsContact O-CD 3.25Å; T341-P915 WeakPolarHBondContact O-CD 3.32Å; T341-P915 WeakPolarHBondContact O-CG 3.45Å; T341-P915 WeakPolarHBondContact OG1-CA 3.49Å; T341-P915 WeakPolarHBondContact OG1-CB 3.43Å; T341-P915 VanDerWaalsContact OG1-CD 3.25Å; T341-P915 WeakPolarHBondContact OG1-CD 3.33Å; T341-Q916 CarbonylContact C-O 3.46Å; T341-Q916 VanDerWaalsContact C-O 3.31Å
342T26.5Very low28.1Very low28 Ų28119 Ų11917%0.17264%0.635CS.*  trans-47.8106.5135.732.90000113.9T344 P915 Q916 F917T342-T344 PolarHBondContact O-N 3.44Å; T342-P915 WeakPolarHBondContact O-CB 3.2Å; T342-P915 WeakPolarHBondContact O-CG 3.35Å; T342-P915 WeakPolarHBondContact OG1-CB 3.09Å; T342-Q916 PolarHBondContact N-O 3.48Å; T342-Q916 PolarHBondContact OG1-O 2.96Å; T342-Q916 VanDerWaalsContact OG1-O 3.11Å; T342-F917 HydrophobicContact CG2-CB 4.22Å; T342-F917 HydrophobicContact CG2-CD1 3.44Å; T342-F917 VanDerWaalsContact CG2-CD1 3.44Å; T342-F917 HydrophobicContact CG2-CD2 3.43Å; T342-F917 VanDerWaalsContact CG2-CD2 3.43Å; T342-F917 HydrophobicContact CG2-CE1 3.49Å; T342-F917 VanDerWaalsContact CG2-CE1 3.49Å; T342-F917 HydrophobicContact CG2-CE2 3.49Å; T342-F917 VanDerWaalsContact CG2-CE2 3.49Å; T342-F917 HydrophobicContact CG2-CG 3.41Å; T342-F917 VanDerWaalsContact CG2-CG 3.41Å; T342-F917 HydrophobicContact CG2-CZ 3.53Å
343T30.7Very low27.8Very low139 Ų139118.4 Ų118.485%0.85363%0.626SS**  trans-86.397.1147.529.20000107.6
344T25.6Very low27.8Very low91 Ų91120.2 Ų120.256%0.55863%0.627SS**  trans-60.1160.9173.367.20000111.5T342T342-T344 PolarHBondContact O-N 3.44Å
345K28.4Very low27.7Very low185 Ų185119.6 Ų119.680%0.80462%0.619SS**  trans76.4102.4156.4-63158.1-173.1165.90118.1
346S27.7Very low27.9Very low108 Ų108120.3 Ų120.376%0.75562%0.622SS**  108.3143101.675.50000121.1
347R27.1Very low27.8Very low221 Ų221120.5 Ų120.583%0.83462%0.619SS**  trans86.2127.9139.4-152.7-178.6-173.8161.92.2119.3
348T27.7Very low27.6Very low118 Ų118121.9 Ų121.972%0.72463%0.628SS**  trans59.1114.9162.136.80000116.9
349N26.3Very low27.7Very low138 Ų138127.6 Ų127.674%0.73865%0.646SS**  79.213160.2-169.132.2000113.6
350M26.1Very low27.5Very low144 Ų144125.9 Ų125.971%0.70966%0.659SS**  trans62.4104.2-172.8-49.6-60.4-86.200113.7
351N27.2Very low27.3Very low144 Ų144126.5 Ų126.577%0.7767%0.669SS**  58.810077.1-73.3-16.9000114.3
352E23.2Very low27.1Very low177 Ų177127.5 Ų127.583%0.82768%0.679SS**  -165.6135.6123.4-109.4-171.5130.500114
353I25Very low27.2Very low116 Ų116134.1 Ų134.160%0.59571%0.713SS**  trans82.5106.7139.1-78.7169.7000122.6
354Q26.2Very low27.3Very low146 Ų146132.6 Ų132.668%0.68271%0.707SS**  trans69.5152.6142.6-60.6170.737.500118.3
355K27.7Very low27.6Very low160 Ų160132.7 Ų132.770%0.69672%0.717SS**  cis-163151.826-152.1170.5-172.6163.40109.7
356T29.9Very low27.6Very low70 Ų70134.3 Ų134.343%0.42973%0.725SS.*  cis96.357.520.367.90000118.8T1691 D1692T356-T1691 VanDerWaalsContact CA-OG1 3.25Å; T356-T1691 WeakPolarHBondContact CA-OG1 3.02Å; T356-T1691 HydrophobicContact CG2-CG2 4.17Å; T356-T1691 PolarHBondContact N-OG1 3.14Å; T356-T1691 VanDerWaalsContact N-OG1 3.09Å; T356-D1692 VanDerWaalsContact CG2-OD2 3.3Å; T356-D1692 WeakPolarHBondContact CG2-OD2 3.2Å
357H30.4Very low27.8Very low117 Ų117133 Ų13354%0.54273%0.728SS.*  92.8138.6120.8-122.8-56.6000121.4T1691H357-T1691 WeakPolarHBondContact CA-OG1 3.28Å; H357-T1691 WeakPolarHBondContact CB-OG1 3.37Å; H357-T1691 PolarHBondContact CD2-N 3.29Å; H357-T1691 PolarHBondContact CD2-O 2.84Å; H357-T1691 VanDerWaalsContact CD2-O 3.23Å; H357-T1691 PolarHBondContact CE1-N 2.91Å; H357-T1691 PolarHBondContact N-OG1 3.2Å; H357-T1691 PolarHBondContact NE2-N 2.9Å; H357-T1691 PolarHBondContact NE2-O 2.93Å
358S26.5Very low28.2Very low55 Ų55128 Ų12839%0.38573%0.726SS.*  trans-55.3146.6165.448.20000113.7
359R31Very low28.2Very low251 Ų251128.1 Ų128.195%0.94773%0.727SS**  trans-89.2132.7-170.7-70165.568.5-177.61.7113
360G23.9Very low28.2Very low72 Ų72127.6 Ų127.674%0.74273%0.729SS**  trans-144.390.7166.800000112.4
361A28.9Very low28.2Very low93 Ų93131.3 Ų131.377%0.76974%0.735SS**  trans61.6160.7175.400000118.6
362S22.5Very low28.1Very low105 Ų105129.2 Ų129.273%0.73473%0.728SS**  trans29127.5150.850.20000120.2
363L28.7Very low28.2Very low167 Ų167127.3 Ų127.387%0.87472%0.723SS**  cis-164.216524.1-112.4162.1000111.8
364S33.3Very low28.3Very low106 Ų106128.6 Ų128.674%0.74174%0.737SS**  trans54.399.5171.9-114.80000116.2
365A31Very low28.6Very low93 Ų93125.4 Ų125.477%0.76974%0.735SS**  56125.357.200000114
366K28.4Very low28.8Very low220 Ų220124 Ų12496%0.95774%0.74SS**  trans-72.3137.8177.3-75.5178.3173.91770111.3
367G32.2Very low28.7Very low79 Ų79125.3 Ų125.381%0.81475%0.752SS**  trans167.6120.1170.300000108.6
368S35.8Very low29Very low116 Ų116127.3 Ų127.381%0.81177%0.767SS**  cis-136.61527.7-173.40000113
369T29Very low29.4Very low121 Ų121131.8 Ų131.874%0.74279%0.785SS**  trans-18.4119.6154.6-51.80000116.9
370V25.5Very low29.2Very low128 Ų128125.7 Ų125.778%0.77678%0.776SS**  trans19.4108.5130.3-175.50000117.1
371R25.2Very low29.6Very low221 Ų221127.8 Ų127.883%0.83478%0.779SS**  trans-179.8122.2133.5-103.5175.8133.5149.1-3.5111.4
372T25.7Very low29.8Very low101 Ų101130.6 Ų130.662%0.6278%0.781SS**  53.7131.8102.268.40000115.3
373N26.1Very low30Very low136 Ų136131.8 Ų131.873%0.72778%0.784SS**  cis-163.3171.46.1-99.9-8.8000109.7
374T27.3Very low29.8Very low143 Ų143130 Ų13088%0.87778%0.78SS**  trans68.4150.1163.215.30000116.3
375A31.4Very low29.4Very low79 Ų79129.3 Ų129.365%0.65378%0.781SS**  cis-148.7159.14.900000113.7
376T31.9Very low29Very low131 Ų131130.4 Ų130.480%0.80478%0.778SS**  trans51.6112.6146.8-46.80000121.2
377S28.1Very low28.8Very low97 Ų97125.5 Ų125.568%0.67877%0.767SS**  trans-36.1148.416152.80000118.9
378N36.7Very low28.4Very low160 Ų160127.1 Ų127.186%0.85676%0.761SS**  trans-153.499.5146.1-103.7-28.1000114.5
379I33.8Very low27.8Very low149 Ų149127.2 Ų127.276%0.76476%0.757SS**  trans19110.1148-49.9178.3000120.7
380T27.7Very low27.9Very low122 Ų122127.5 Ų127.575%0.74876%0.759SS**  trans11.4125.2132.2-43.70000122
381S32.9Very low28Very low117 Ų117127.5 Ų127.582%0.81876%0.759SS**  trans-177.8171.8136.753.10000111.7
382N31.9Very low28.3Very low152 Ų152123.1 Ų123.181%0.81376%0.762SS**  -156.9-174.1-67.9-132.29.9000109.2
383V27.5Very low28.2Very low130 Ų130121.3 Ų121.379%0.78876%0.764SS**  trans-96.4135.7-167.8166.30000115.4
384T24.8Very low28.2Very low128 Ų128126.2 Ų126.279%0.78577%0.772SS**  trans36.7124.5149.9-55.50000123
385A24.9Very low28Very low93 Ų93124.6 Ų124.677%0.76977%0.766SS**  trans-160.6113.5140.600000114.7
386T22.9Very low27.9Very low116 Ų116126 Ų12671%0.71277%0.772SS**  trans39.7149.6130-430000124.2
387T24.5Very low27.5Very low117 Ų117125 Ų12572%0.71877%0.77SS**  trans70.6143.4157.834.60000120
388T22.1Very low27.4Very low112 Ų112125.7 Ų125.769%0.68777%0.77SS**  cis-168.1158.1-22.313.60000111.7
389T24.2Very low26.8Very low119 Ų119123.4 Ų123.473%0.7376%0.762SS**  trans42.8122.615057.30000123
390T31.3Very low26.6Very low126 Ų126123.6 Ų123.677%0.77376%0.763SS**  -173.2102.9117.828.50000110
391T28.2Very low26.5Very low128 Ų128124.1 Ų124.179%0.78576%0.761SS**  76.8128.998.156.90000118.1
392S29.4Very low26.4Very low129 Ų129127 Ų12790%0.90276%0.759SS**  trans72.9137.8170.4-1600000117.4
393G24.6Very low26.2Very low63 Ų63129.3 Ų129.365%0.64976%0.762SS**  cis140.8145.8-9.300000114.3
394R25.3Very low27Very low240 Ų240128.5 Ų128.591%0.90676%0.759SS**  trans73.7109.5178.3-153.8175.6-168139.51.4113.7
395S24.6Very low27.2Very low108 Ų108131 Ų13176%0.75576%0.762SS**  cis95.9138.438.4-61.60000114.6
396S28.5Very low27.3Very low110 Ų110132.3 Ų132.377%0.76976%0.76SS**  trans107.7145.4151.2-56.80000120
397S24.1Very low27.7Very low108 Ų108132.2 Ų132.276%0.75576%0.759SS**  trans72.8149.8155.9-890000120.7
398T26Very low27.8Very low112 Ų112134.9 Ų134.969%0.68777%0.766SS**  cis-169.1123.3-33.6190000106
399T24.5Very low28.3Very low112 Ų112135.9 Ų135.969%0.68777%0.772SS**  79.3130.589.1-46.80000115.2
400I27.8Very low29.1Very low154 Ų154140.6 Ų140.679%0.7978%0.783SS**  trans57.3157.9162.160.6-178.8000121.4
401N27.4Very low29Very low133 Ų133142 Ų14271%0.71178%0.784SS**  cis-170168.6-40.5-149.8-23.5000110.4
402K30.1Very low29Very low177 Ų177140.7 Ų140.777%0.7777%0.773SS**  trans62.9108154.5-66.5173.3-176.9177.50122.7
403K28.1Very low29.2Very low201 Ų201142.6 Ų142.687%0.87477%0.765SS**  76.8-175.7118.4-135-176.6-178.6-177.50118.1
404P43Very low29.3Very low112 Ų112150.2 Ų150.273%0.72777%0.774SS**  -108.2179.5-106.141.1-28.5000115.9
405Q29.2Very low29.4Very low181 Ų181145.2 Ų145.285%0.84676%0.764SS**  167.4117.3129.3-177.6162.27.400116.2
406V27.7Very low29.4Very low120 Ų120145.8 Ų145.873%0.72776%0.763SS**  trans44.7110.6142.1-175.10000123.2
407T31.2Very low29.2Very low114 Ų114145.9 Ų145.970%0.69976%0.764SS**  34.5124.8124-35.40000123.2
408M26.7Very low29.5Very low174 Ų174150 Ų15086%0.85777%0.768SS**  154.9147.4128.6-89.3-63178.300112.9
409T32.5Very low30.3Very low133 Ų133149.7 Ų149.782%0.81677%0.768SS**  trans-90.7120.9167.8460000111.5
410K41.5Very low30.7Very low218 Ų218151.9 Ų151.995%0.94878%0.775SS**  trans-153165.6162.7-110.2168-174.9178.70110.5
411L28.1Very low31.1Very low154 Ų154149.6 Ų149.681%0.80677%0.773SS**  trans-120.4159.6-151.2-161.475.4000113.6
412D29.7Very low31.3Very low102 Ų102148.5 Ų148.555%0.54578%0.776SS.*  trans87.5132147.9-102.3-21.9000122.6
413K33.2Very low31.9Very low169 Ų169147.3 Ų147.374%0.73578%0.777SS**  trans60.7112.2138.9-69.6155.2-169.7150.50123.1
414R25.4Very low31.9Very low222 Ų222148.3 Ų148.384%0.83878%0.775SS**  81.496.2115.6-161.5-179.9-162.5-150.75.7121.9
415I27.5Very low31.6Very low135 Ų135149.6 Ų149.669%0.69278%0.781SS**  65.6127.9128.6-55.9175.3000120.9
416T25.1Very low31.5Very low120 Ų120144.9 Ų144.974%0.73678%0.781SS**  trans73.4134.5155.949.10000124.1
417S25.2Very low31.5Very low113 Ų113150.6 Ų150.679%0.7979%0.79SS**  trans71.4154.9147.280.70000117.3
418K29.4Very low31.6Very low195 Ų195150 Ų15085%0.84879%0.785SS**  cis-157.8-168.3-14.8-113.1-84.3-177.4170.70106.3
419P43Very low31.5Very low104 Ų104148.6 Ų148.668%0.67578%0.781SS**  trans-103.5-171.3-135.445.5-38.9000116.8
420D33.2Very low31.4Very low159 Ų159149 Ų14985%0.8579%0.788SS**  trans-61.4160.8-175.2-45.1-93.6000117.7
421S35.2Very low30.7Very low105 Ų105143.1 Ų143.173%0.73478%0.78SS**  trans-157.3121160.863.50000114.8
422S33.3Very low30.9Very low111 Ų111142.6 Ų142.678%0.77678%0.784SS**  trans65.3155167.476.20000116.9
423L42.2Very low30.8Very low151 Ų151145.2 Ų145.279%0.79180%0.798SS**  cis-136.4136.916.4-70.2159000109.2
424R27.1Very low30.6Very low223 Ų223145 Ų14584%0.84280%0.803SS**  82.2126.378.4-155.5-169-177.9-157.20.7115.3
425T37.1Very low30.6Very low138 Ų138140.6 Ų140.685%0.84780%0.802SS**  trans75.7143.3175.981.50000118.6
426G27.3Very low30.8Very low82 Ų82139.2 Ų139.285%0.84580%0.804SS**  cis150.269.6-36.200000120.5
427R28.4Very low31Very low241 Ų241141 Ų14191%0.90981%0.809SS**  trans-166.2152.4155.8-143.6-170.2165.9170.5-3.4115
428V32.2Very low31.2Very low101 Ų101140.3 Ų140.361%0.61280%0.804SS**  trans69.591.1162.1-162.80000119.7
429D26.1Very low31.4Very low144 Ų144138 Ų13877%0.7781%0.807SS**  45.4101.4120.8-41.5-31.4000121.9
430C30Very low30.5Very low141 Ų141139.8 Ų139.895%0.95381%0.811SS**  trans-157.9141.3132.2-100.30000109.7
431A26Very low30.5Very low96 Ų96136.3 Ų136.379%0.79380%0.804SS**  trans-118.4135.8-170.900000113.2
432T32.8Very low30.3Very low143 Ų143137 Ų13788%0.87781%0.808SS**  trans-150.3135.4162.1-54.70000108.5
433N27.5Very low29.9Very low157 Ų157143 Ų14384%0.8481%0.814SS**  trans-75.6136.5-164.9-64.6-63.1000113.8
434L27.9Very low29.3Very low163 Ų163140.2 Ų140.285%0.85381%0.807SS**  trans-112.4128.3153.5-81.5173.5000109.1
435T27Very low29.4Very low131 Ų131136.7 Ų136.780%0.80481%0.805SS**  trans-84.8114.2167.8-58.80000109
436S31.1Very low29.1Very low106 Ų106137.7 Ų137.774%0.74181%0.805SS**  trans-136.3118.1170.8-70.90000109.4
437N28.7Very low29.2Very low156 Ų156140 Ų14083%0.83480%0.802SS**  trans-77.1146178.4-72.9-2000111.2
438S30.4Very low29.2Very low99 Ų99134 Ų13469%0.69279%0.789SS**  trans-83.5171164.764.50000111
439T33.5Very low29.2Very low148 Ų148139.6 Ų139.691%0.90880%0.799SS**  trans-116.6119.9137.2-64.90000106.5
440N23.9Very low29.5Very low141 Ų141137.8 Ų137.875%0.75480%0.797SS**  trans-145.7136.7166.9-153.7-1.6000110.4S442N440-S442 PolarHBondContact O-N 3.13Å
441A32.7Very low29.6Very low86 Ų86143.2 Ų143.271%0.71180%0.798SS**SBendtrans2971.4161.500000119.4
442S31.4Very low29.7Very low118 Ų118142.7 Ų142.783%0.82580%0.802SS**SBendtrans-171.3122.2132.5-88.20000114.5N440N440-S442 PolarHBondContact O-N 3.13Å
443R24.7Very low29.6Very low237 Ų237147.1 Ų147.189%0.89480%0.802SS**  trans58.785.1160.1-68-172.4160.1-167.7-7.6119.1
444S29.4Very low29.6Very low93 Ų93145.5 Ų145.565%0.6579%0.793SS**  3.3131.5121.557.30000118.5
445N29.5Very low29.8Very low149 Ų149146.4 Ų146.480%0.79779%0.791SS**  -168.8157.9100.5-97.8-20.5000115.9
446L31.2Very low29.8Very low159 Ų159145.1 Ų145.183%0.83279%0.787SS**  trans-33.9153.9-179.8-73.1148.2000120.3
447T27.8Very low29.7Very low130 Ų130148.5 Ų148.580%0.79879%0.791SS**  trans-62.2141.9157.146.70000113.2
448D29.8Very low29.7Very low117 Ų117146.3 Ų146.363%0.62678%0.783SS**  156.3153113.3-171.434.3000113.1
449R32.4Very low29.6Very low218 Ų218147.7 Ų147.782%0.82378%0.783SS**  trans60169.5163.8-86167.7173.692.2-2.3118.9
450S32.2Very low29.5Very low105 Ų105147.4 Ų147.473%0.73478%0.776SS**  trans-127.7145.6-157.153.20000113.6
451R31Very low29.9Very low255 Ų255148.1 Ų148.196%0.96277%0.772SS**  trans47.894.5156.9-65.4178169.8178-3.7117.5
452G28Very low29.7Very low86 Ų86151 Ų15189%0.88777%0.771SS**  trans-145.7123.8163.800000111.6
453R30.7Very low29.8Very low235 Ų235150.8 Ų150.889%0.88777%0.767SS**  trans-100.9152.5-166.5-160.8-171.7-162.2-155.88.3112
454L28.5Very low30.1Very low123 Ų123146.4 Ų146.464%0.64477%0.767SS**  trans112.8123135.8-148.573.3000120.2
455F31.1Very low30.1Very low182 Ų182150.1 Ų150.180%0.79877%0.774SS**  trans19.9133.1158.6-60.3-53.2000124.4
456S27.9Very low30.1Very low104 Ų104148.1 Ų148.173%0.72777%0.771SS**  171.3133109.3-72.70000111
457Q28.6Very low30.3Very low177 Ų177147.1 Ų147.183%0.82777%0.767SS**  65.6133.4103.3-160.4170.760.100113.5
458T29.4Very low30.3Very low110 Ų110151.3 Ų151.368%0.67577%0.768SS**  cis-165.4173.5199.70000106.4
459N28.9Very low30.3Very low129 Ų129152.1 Ų152.169%0.6978%0.777SS**  cis-171.6173.6-25.3-106.823.4000108.1
460N30.7Very low30.2Very low142 Ų142148.6 Ų148.676%0.75978%0.775SS**  trans69.6151.6164.7-57.4-22.1000116.1
461K32.4Very low30.2Very low155 Ų155149.2 Ų149.267%0.67477%0.774SS**  cis-164.3165.8-3.3-116.7-177.8-173.8-74.10106
462E28.5Very low30.2Very low146 Ų146146.6 Ų146.668%0.68277%0.77SS**  cis-160.6150.2-9-166.5127-100.600107.9
463P34.1Very low30.5Very low115 Ų115146.5 Ų146.575%0.74775%0.754SS**  trans-117.7140.6-172.538.5-27.7000117
464T30Very low30.6Very low144 Ų144141.4 Ų141.488%0.88375%0.751SS**  trans-157.4151.7158.91.10000107.2
465Q29.9Very low30.7Very low172 Ų172144.8 Ų144.880%0.80476%0.761SS**  cis-147.9144.821.7-170.8177.959.400111.1
466S29.9Very low30.6Very low106 Ų106141.8 Ų141.874%0.74176%0.763SS**  trans-93.2143.2-177.459.10000113.3
467N34.1Very low30.8Very low138 Ų138143.9 Ų143.974%0.73877%0.77SS**  trans-138.295.4167.3-111.5-37.8000113.9
468R27.5Very low30.7Very low218 Ų218139.2 Ų139.282%0.82377%0.77SS**  trans48.1156.9139.3-64.5-179.4167.5-171.3-3.5121.8
469T31.2Very low30.5Very low134 Ų134137.7 Ų137.782%0.82278%0.776SS**  trans75.9141.2168.771.90000116.8
470N29.2Very low30.4Very low145 Ų145143.8 Ų143.878%0.77579%0.789SS**  cis-157.8165.3-32.1-140.2-22.7000111.5
471V32.7Very low30.1Very low117 Ų117147.1 Ų147.171%0.70979%0.791SS**  trans59.685.3162.9-168.30000118.7
472K31.7Very low30Very low200 Ų200147 Ų14787%0.8780%0.797SS**  trans69.5161.3130.7-84.4-158.7168.6-1800121.2
473P33.1Very low30.2Very low85 Ų85145.9 Ų145.955%0.55281%0.805SS**  trans-126.8173.6-138.942.3-27.9000115.6F475P473-F475 HydrophobicContact CG-CD2 4.18Å; P473-F475 PolarHBondContact O-N 2.93Å
474P33.9Very low30Very low128 Ų128144.9 Ų144.983%0.83181%0.806SS**  trans-68.2115.5169.228.4-35.4000112
475F30.4Very low30Very low194 Ų194141.9 Ų141.985%0.85180%0.804SS**  trans-132.4146.1163.3-101.7-80.1000110.3P473P473-F475 HydrophobicContact CG-CD2 4.18Å; P473-F475 PolarHBondContact O-N 2.93Å
476S28.8Very low29.9Very low119 Ų119138.6 Ų138.683%0.83281%0.806SS**  trans-96.4116.5-173.6-171.10000112.6
477V31.3Very low29.9Very low147 Ų147138.3 Ų138.389%0.89181%0.81SS**  trans-160.9148.3156.8-100.20000106.9
478G26.2Very low29.6Very low79 Ų79136.7 Ų136.781%0.81481%0.81SS**  cis155.280.31.800000111.2
479G25.8Very low29.7Very low79 Ų79134.1 Ų134.181%0.81481%0.812SS**  trans118.5158.4-175.400000112.6
480R26.4Very low29.5Very low256 Ų256134 Ų13497%0.96681%0.811SS**  cis-130.8173.32.8-134.3178.8-170.1-168.53.7111.1
481R26.1Very low29.6Very low212 Ų212133.1 Ų133.180%0.882%0.816SS**  trans-97.2162.3-167-62.8163.863.3-165.62.2113
482I28.5Very low29.3Very low153 Ų153135.1 Ų135.179%0.78582%0.817SS**  trans62.5145.9157.256.5169.5000116.3
483S33.1Very low29Very low123 Ų123136 Ų13686%0.8682%0.815SS**  cis-123.6126.838.547.90000117.3
484A30.7Very low29Very low93 Ų93137.5 Ų137.577%0.76982%0.823SS**  trans-126125.1149.300000106.9
485G29.6Very low28.7Very low81 Ų81135.9 Ų135.984%0.83582%0.82SS**PPolyproline II helixtrans-75.6136.8176.100000110.8
486A28.8Very low29.1Very low103 Ų103132.6 Ų132.685%0.85182%0.819SS**PPolyproline II helixtrans-80.1163.7176.600000112
487A28.7Very low29.2Very low100 Ų100131.9 Ų131.983%0.82681%0.814SS**PPolyproline II helixtrans-75.6172-179.500000113.6
488S27.2Very low29.7Very low104 Ų104133.1 Ų133.173%0.72781%0.81SS**PPolyproline II helixtrans-51.8145.3170.8-177.90000113.3
489L31.6Very low29.8Very low165 Ų165136.2 Ų136.286%0.86481%0.807SS**  -171.4146.6125.4-102.5168.6000112
490T26.4Very low30.2Very low132 Ų132139.1 Ų139.181%0.8180%0.804SS**  trans-103.5116173.638.70000111.1
491S29.9Very low30.5Very low125 Ų125139 Ų13987%0.87480%0.803SS**  trans-168.4176.7147-154.30000112.4
492Q27.2Very low30.7Very low159 Ų159133.9 Ų133.974%0.74380%0.8SS**  trans-97.7160.1-154.7-48.91788.300116.5
493R25.1Very low31Very low218 Ų218135.4 Ų135.482%0.82380%0.801SS**  trans84.2134.3132.5-98.2175.8173.1-129.6-2.1123.1
494T32.7Very low30.9Very low117 Ų117137.3 Ų137.372%0.71880%0.8SS**  trans91.7100.9141.6-50.30000121.9
495A28Very low30.9Very low94 Ų94137.4 Ų137.478%0.77780%0.795SS**  47.8157.1126.100000124.4
496P39.1Very low31Very low126 Ų126139.4 Ų139.482%0.81879%0.791SS**  trans-122.3170-158.843.2-30.6000117.6
497S32.1Very low31.2Very low103 Ų103140.7 Ų140.772%0.7279%0.787SS**  trans-162176.4158.563.50000112.2
498Q40Very low31.3Very low173 Ų173140 Ų14081%0.80878%0.781SS**  trans66.8107.9-179.6-43.9-68.80.300115.3
499L29.5Very low31.4Very low145 Ų145147 Ų14776%0.75979%0.792SS**  cis102.6128.76.7-148.978.7000117.6
500N33.5Very low31.2Very low139 Ų139143 Ų14374%0.74379%0.79SS**  trans67.797160.2-71.1-22.4000122.7
501R32.9Very low31.5Very low255 Ų255142.6 Ų142.696%0.96279%0.793SS**  -160.7166112.2-107.3177.1-171.8-130.50.8111.6
502S30.4Very low31.5Very low104 Ų104144.4 Ų144.473%0.72779%0.792SS**  trans-156.5177.5-151.359.10000115.4
503K34.4Very low31.6Very low184 Ų184144.5 Ų144.580%0.879%0.792SS**  trans98.2110.7173.1-58.3-173.4179.3-175.60114.1
504I30.6Very low31.8Very low163 Ų163141 Ų14184%0.83679%0.789SS**  86.4133.469.8-80.5168.4000110.4
505S31.4Very low31.8Very low95 Ų95139.9 Ų139.966%0.66479%0.785SS**  cis-160.3161.4-3.7-176.80000107.5
506V32.2Very low31.8Very low124 Ų124140.5 Ų140.575%0.75278%0.78SS**  -177.2135.186.3158.70000110.9
507V32.6Very low31.5Very low129 Ų129141.5 Ų141.578%0.78278%0.784SS**  trans12.5132.3142.6-171.20000117.4
508A31.6Very low31.2Very low85 Ų85140.2 Ų140.270%0.70279%0.787SS**  cis-164.9-173.9-8.800000106.6
509R29Very low30.6Very low253 Ų253139.9 Ų139.996%0.95579%0.79SS**  cis-139.6169.916.4-72.4-179.4178.2178.4-0.5109
510G27.4Very low30.6Very low79 Ų79138.8 Ų138.881%0.81479%0.789SS**  cis145.462.8-1.100000113.2
511S32Very low30.3Very low124 Ų124139.2 Ų139.287%0.86779%0.791SS**  trans-143.3146.6154.763.40000108.9
512L30.3Very low30.1Very low164 Ų164132.5 Ų132.586%0.85978%0.784SS**  trans-157.5123.7-166.5175.483.1000109
513H29.6Very low30.1Very low161 Ų161139.5 Ų139.575%0.74579%0.794SS**  trans-157.1157.9134-148.5-112.4000112.9S515H513-S515 PolarHBondContact CE1-OG 3.32Å; H513-S515 PolarHBondContact ND1-OG 3.44Å
514L29.4Very low30Very low145 Ų145135.3 Ų135.376%0.75979%0.788SS**  trans-139.5116.6-179.618074000108.5
515S32.3Very low29.9Very low92 Ų92133.7 Ų133.764%0.64378%0.781SS**  trans-159.2124.8171.2-58.60000106.4H513H513-S515 PolarHBondContact CE1-OG 3.32Å; H513-S515 PolarHBondContact ND1-OG 3.44Å
516T27.2Very low29.8Very low108 Ų108135 Ų13566%0.66378%0.78SS**  cis80.3127.725.9-36.90000113.7
517T32.1Very low29.6Very low147 Ų147134.8 Ų134.890%0.90277%0.766SS**  trans75.4154.7177.476.60000117.8
518G26.5Very low29.4Very low75 Ų75131 Ų13177%0.77375%0.752SS**  trans117.583.7164.100000116.5
519L27.5Very low29.2Very low167 Ų167132.3 Ų132.387%0.87475%0.752SS**  trans-94.8174.7159.4-79.2171.8000110.5
520T28.8Very low29.3Very low122 Ų122126.5 Ų126.575%0.74875%0.75SS**  trans77.6106.117064.90000118
521D28.6Very low29.3Very low148 Ų148127.3 Ų127.379%0.79174%0.743SS**  33.6106.7128.4-48.4-41000119.7
522S27.8Very low29.3Very low114 Ų114126.1 Ų126.180%0.79774%0.741SS**  177.7110.5126.2-83.70000112.5
523R30.1Very low29.3Very low250 Ų250125 Ų12594%0.94374%0.741SS**  trans163.7127.6130.2-91.4159.6-179.3-160.2-3.3112.7
524S33.1Very low29.1Very low97 Ų97128.2 Ų128.268%0.67875%0.746SS**  trans-73.3153.9151.757.60000110.3
525N28.2Very low29.3Very low128 Ų128130.7 Ų130.768%0.68475%0.754SS**  162.9160.1125.6-78.3-6.9000110.8
526L29.2Very low29Very low124 Ų124131 Ų13165%0.64976%0.756SS**  trans77.9112.4171.7-50.4173.4000117.9E1557L526-E1557 VanDerWaalsContact CD2-OE2 3.23Å; L526-E1557 WeakPolarHBondContact CD2-OE2 3.25Å
527R28.9Very low29.2Very low119 Ų119132.3 Ų132.345%0.44976%0.764SS.*  68.4128.9119-161.5164.7-62.2-1764.4119.4T1554 Y1555 L1556 E1557R527-T1554 VanDerWaalsContact CD-O 3.27Å; R527-T1554 WeakPolarHBondContact CD-O 3.32Å; R527-T1554 VanDerWaalsContact NH1-C 3.26Å; R527-T1554 PolarHBondContact NH1-O 2.88Å; R527-Y1555 WeakPolarHBondContact CD-O 3.24Å; R527-Y1555 VanDerWaalsContact NE-C 3.35Å; R527-L1556 WeakPolarHBondContact CA-O 3.5Å; R527-L1556 VanDerWaalsContact CB-O 3.23Å; R527-L1556 WeakPolarHBondContact CB-O 2.73Å; R527-L1556 WeakPolarHBondContact CG-O 3.46Å; R527-L1556 VanDerWaalsContact NE-N 3.15Å; R527-L1556 PolarHBondContact NE-O 3.29Å; R527-E1557 IonicContact CZ-OE2 3.67Å; R527-E1557 IonicContact NE-OE2 3.97Å; R527-E1557 IonicContact NH2-OE2 2.65Å; R527-E1557 PolarHBondContact NH2-OE2 2.73Å
528G27.1Very low29Very low48 Ų48131.2 Ų131.250%0.49576%0.757SS.*  cis99153.4-5.500000116
529V28.4Very low29.2Very low114 Ų114137.4 Ų137.469%0.69176%0.763SS**  cis-149.286.5-18.6-169.20000109.9S531V529-S531 PolarHBondContact O-OG 3.45Å
530S30.5Very low29.1Very low131 Ų131138.2 Ų138.292%0.91676%0.761SS**  trans-99.296.7160.2-64.30000107.2
531S27.5Very low28.9Very low95 Ų95142.9 Ų142.966%0.66477%0.765SS**  75.413050.5-60.60000113.6V529V529-S531 PolarHBondContact O-OG 3.45Å
532A31.6Very low28.9Very low100 Ų100139.7 Ų139.783%0.82677%0.767SS**  trans65.6129.8-164.800000114.1
533T31.2Very low29.1Very low141 Ų141138.5 Ų138.587%0.86576%0.755SS**  cis-130.3148.32.1-72.50000111.1
534R25.4Very low29Very low227 Ų227134.1 Ų134.186%0.85775%0.75SS**  trans-82.8154.8-176.4-55.3161.291.8-172.47.6108.8
535Q32.5Very low28.8Very low198 Ų198140.4 Ų140.493%0.92576%0.759SS**  -141.916765-66.9-174.9-4.800113.8
536S25.9Very low28.7Very low98 Ų98139.3 Ų139.369%0.68576%0.762SS**  trans-146.4119.9-174.458.10000112.8
537T32Very low28.6Very low136 Ų136143.3 Ų143.383%0.83477%0.774SS**  trans-166.9123.9154.722.10000105.4
538V27.5Very low28.6Very low123 Ų123145.7 Ų145.775%0.74579%0.792SS**  cis6485.933.8-166.10000113.2
539K31Very low28.7Very low206 Ų206149.4 Ų149.490%0.89681%0.805SS**  -148.7122.5121.8-107.6171.6-175.4175.20109.6
540H26Very low28.8Very low183 Ų183150 Ų15085%0.84781%0.812SS**  trans-65.3148.4158-65.3-94.9000108.5
541R25.5Very low28.8Very low221 Ų221149.8 Ų149.883%0.83481%0.805SS**  170110110.2-168.4174.8-144.8156.34109.5V543R541-V543 HydrophobicContact CG-CG2 3.89Å; R541-V543 PolarHBondContact O-N 3.3Å
542G27.8Very low28.7Very low80 Ų80152 Ų15283%0.82581%0.814SS**  trans-65.7129.7162.200000109.1
543V31Very low28.5Very low90 Ų90153.1 Ų153.155%0.54582%0.817SS.*  trans-12796.2170.4-177.10000107.6R541 R545R541-V543 HydrophobicContact CG-CG2 3.89Å; R541-V543 PolarHBondContact O-N 3.3Å; V543-R545 HydrophobicContact CG1-CG 3.99Å; V543-R545 PolarHBondContact O-N 2.98Å
544N28.4Very low28.4Very low158 Ų158152.1 Ų152.185%0.84582%0.815SS**  trans-61.1118.4162.2-70.7-23.3000107.6
545R29Very low28.7Very low229 Ų229149.4 Ų149.486%0.86482%0.818SS**  trans-10573.1161.4-62.4-166.2-162-120.89.1108.8V543V543-R545 HydrophobicContact CG1-CG 3.99Å; V543-R545 PolarHBondContact O-N 2.98Å
546S26.8Very low28.7Very low105 Ų105144 Ų14473%0.73481%0.807SS**  trans-65148150.1-61.70000108.2
547F26.5Very low29Very low207 Ų207149.4 Ų149.491%0.90882%0.818SS**  trans-61.7135.9-174.9-59-93.7000112.3
548M28.3Very low29.1Very low170 Ų170152 Ų15284%0.83782%0.821SS**  trans-137.9115.3156.8-86.6-170.766.600108.8
549T30.5Very low29.2Very low125 Ų125151.8 Ų151.877%0.76782%0.819SS**  trans-70.1152.4163.4-4.90000109.4
550P29.1Very low29.3Very low128 Ų128152 Ų15283%0.83182%0.821SS**  trans-65.8142.2-176-20.633.5000112.6
551T30.7Very low29.6Very low126 Ų126148.9 Ų148.977%0.77381%0.814SS**  trans-127.1131.6164.334.60000109.4
552T26.1Very low29.9Very low140 Ų140150.1 Ų150.186%0.85982%0.819SS**  trans-86.3133176.942.40000110.6
553S27.4Very low30.1Very low125 Ų125154.5 Ų154.587%0.87482%0.818SS**  trans-172.5145.5144.528.60000110.3
554S29.6Very low30.1Very low119 Ų119155.7 Ų155.783%0.83283%0.83SS**  trans-101.2149.5175.446.80000110.3
555D32.2Very low30.4Very low171 Ų171154.7 Ų154.791%0.91482%0.824SS**  trans-154.2152.4141.3-144.6-17.6000111.2
556A30.5Very low30.4Very low84 Ų84155 Ų15569%0.69482%0.824SS**  trans-115.5151.5-169.800000112.8
557K33Very low30.5Very low212 Ų212154.8 Ų154.892%0.92282%0.823SS**  trans-134141.4165.4-74.8-168.6175.1177.70111.7
558Q34Very low30.8Very low190 Ų190153.5 Ų153.589%0.88882%0.822SS**  trans-89.1138-162-65.5174.2-10.100114
559V30.3Very low31.1Very low118 Ų118151 Ų15172%0.71582%0.819SS**  trans22.7130.1133.2-171.20000118.7
560K33.7Very low31.1Very low212 Ų212152.5 Ų152.592%0.92282%0.822SS**  trans-129.6124.5142.2-84.7-168.8173.9-177.70110.7
561T31.4Very low31Very low116 Ų116154.5 Ų154.571%0.71282%0.82SS**  trans-81.4149-178.7-47.30000112.2
562R32.5Very low31Very low247 Ų247154.3 Ų154.393%0.93282%0.824SS**  trans-148.3158.2150.6-125.8174.9-179.7167.50.2110.4
563E30.9Very low31.2Very low172 Ų172153 Ų15380%0.80482%0.818SS**  trans-123.3155.8-150-49.6166.9116.200114.1
564S30.4Very low31.2Very low115 Ų115154.8 Ų154.880%0.80482%0.816SS**  trans69.4154.4153.1-143.40000115
565I35.8Very low31.1Very low138 Ų138154 Ų15471%0.70881%0.811SS**  cis-157.5144.241.2-76.8176.4000109.7
566R28.7Very low30.8Very low234 Ų234150.8 Ų150.888%0.88380%0.802SS**  trans26.9153.1145-58.4176.2-172.9-164.10.7121.4
567S29.1Very low30.8Very low101 Ų101152.4 Ų152.471%0.70681%0.808SS**  cis-175.5146.91.238.10000113.4
568M32Very low31.4Very low180 Ų180147.9 Ų147.989%0.88780%0.8SS**  trans52.2143144.8-63.5-58.9174.400123.8
569P34.9Very low31.1Very low119 Ų119148.7 Ų148.777%0.77380%0.801SS**  trans-100.7176173.841.6-36.1000114.3
570N30.8Very low31.1Very low155 Ų155149.7 Ų149.783%0.82981%0.811SS**  trans-157.1165.7155.9-154.91.2000112.4
571E26.1Very low31Very low170 Ų170146.6 Ų146.679%0.79481%0.805SS**  trans-104.5167.9-163.3-51.4170.1100.300115.8
572S30.9Very low31Very low123 Ų123146.5 Ų146.586%0.8681%0.809SS**  trans170.6134.1133.1-77.50000113.4
573P31.7Very low30.8Very low112 Ų112146.1 Ų146.173%0.72781%0.807SS**  trans-131.6173.4-179.745.1-32.6000117.2
574I26Very low30.8Very low162 Ų162149.8 Ų149.883%0.83181%0.814SS**  trans75.5123.2162.6-48.5162.9000119.3
575S28.6Very low30.6Very low104 Ų104150.2 Ų150.273%0.72781%0.812SS**  162.3107.3120.172.60000118.2
576S26.6Very low30.3Very low103 Ų103153.3 Ų153.372%0.7282%0.816SS**  trans43.9123.2131.662.70000126.6
577S29.2Very low30.3Very low117 Ų117149.9 Ų149.982%0.81881%0.81SS**  85.7175.9129-48.30000120.5
578P45.6Very low30.4Very low118 Ų118150.5 Ų150.577%0.76681%0.814SS**  -137.7162-99.338.5-17.7000118.3
579K28.3Very low30.5Very low207 Ų207147.2 Ų147.290%0.981%0.807SS**  trans-173.7139.8161.9-115.9165.6-175.6172.80114.5
580C30.9Very low30.2Very low138 Ų138149.7 Ų149.793%0.93281%0.811SS**  trans164.6157.8138.2-93.80000112.8
581D29.8Very low30.1Very low147 Ų147145.7 Ų145.779%0.78681%0.807SS**  trans-146.9139-173.6163.534000110.4
582S32.9Very low30Very low114 Ų114145.4 Ų145.480%0.79781%0.811SS**  trans-175122153.2-87.80000115.9
583R28.5Very low29.9Very low239 Ų239144.9 Ų144.990%0.90281%0.808SS**  trans-12.8131154.9-52.3169.5-174.6174.9-0119.2
584R30.9Very low30Very low249 Ų249144.2 Ų144.294%0.9481%0.811SS**  -163.6157.6121.4-114.1-179.2-166.5-1092.3112.7
585T25.3Very low30.2Very low125 Ų125146 Ų14677%0.76781%0.813SS**  trans-120.8139.6-179-490000109
586Y30.1Very low30.3Very low203 Ų203150.7 Ų150.780%0.79682%0.82SS**  trans-173.7164.5134.2-120.1-95.1000112.5
587E28.2Very low30.6Very low162 Ų162151.5 Ų151.576%0.75782%0.823SS**  trans-47.9159.4-163.1-66.9160.3177.500122.1
588S30.6Very low30.6Very low113 Ų113153.7 Ų153.779%0.7982%0.824SS**  trans-94.9152.9159.7-47.10000109.8
589P34.3Very low29.6Very low112 Ų112154.5 Ų154.573%0.72783%0.827SS**  -154.9159.688.639.4-20.5000118.1
590I29Very low29.6Very low170 Ų170149.1 Ų149.187%0.87282%0.815SS**  trans39.9118.7139.1-55.6167.2000119.4
591G28.1Very low29.5Very low72 Ų72147.9 Ų147.974%0.74280%0.804SS**  trans-179116.6162.100000113.5
592N24.5Very low29.5Very low163 Ų163150.8 Ų150.887%0.87281%0.81SS**  trans-110.571.3-16455.4-37.6000115.1
593S29.2Very low29.2Very low113 Ų113153.3 Ų153.379%0.7981%0.813SS**  trans-154.9-177.9165.6-163.80000113
594A32.6Very low29.2Very low97 Ų97153.9 Ų153.980%0.80282%0.816SS**  trans62.453.5175.900000116.8
595K31.4Very low28.8Very low201 Ų201154.1 Ų154.187%0.87482%0.816SS**  trans-75.7131.1177.4-64.9178.8179.6177.10113.2
596K30.9Very low28.8Very low202 Ų202151.3 Ų151.388%0.87881%0.812SS**  trans-120.2124.8155.5-69.7-176.8-180-179.30109.2
597P32Very low28.8Very low120 Ų120148.3 Ų148.378%0.77982%0.815SS**  trans-99.2143.5160.6-020.7000110.7
598I29.7Very low28.6Very low163 Ų163145.5 Ų145.584%0.83682%0.82SS**  trans-91.9159.9165-67170000107.9
599T25.2Very low28.7Very low135 Ų135149 Ų14983%0.82882%0.824SS**  trans-57.9-176.9169.2-7.80000112.9
600S28.1Very low28.3Very low94 Ų94147.3 Ų147.366%0.65783%0.827SS**  trans86.597.3175.7179.20000116.8
601T27.8Very low28Very low112 Ų112150 Ų15069%0.68783%0.826SS**  33.5124.9122.123.10000120
602F30.1Very low28Very low208 Ų208154.2 Ų154.291%0.91283%0.83SS**  -150.2124.9113.7-93.7-66.4000111.3
603L26.4Very low28.2Very low167 Ų167149.5 Ų149.587%0.87482%0.82SS**  trans-74130160.4-76.2164.5000108.5
604R28.4Very low28Very low251 Ų251152.1 Ų152.195%0.94782%0.824SS**  trans-142.3131.6160-131.8177.5-171-154.2-0.4112.2
605R23.1Very low27.7Very low253 Ų253151.1 Ų151.196%0.95582%0.823SS**  trans-96.6144.1-172.3-168-173-163.9-162.58.1109.9
606G25.7Very low27.5Very low66 Ų66152.5 Ų152.568%0.6882%0.823SS**  trans89.5160.2177.300000113.8
607T29.5Very low27.4Very low140 Ų140152 Ų15286%0.85982%0.82SS**  cis-142.9154.85.936.80000111.5
608A24.2Very low27.2Very low104 Ų104154.3 Ų154.386%0.8683%0.825SS**  trans-78.9124.5179.600000112.8
609Q31.6Very low27Very low185 Ų185150.9 Ų150.986%0.86482%0.816SS**  trans-147.4120.9154.9-95.2163.4-2400104
610G26.2Very low27Very low78 Ų78149.8 Ų149.880%0.80481%0.809SS**  72.8120.988.900000110
611R24.4Very low27Very low225 Ų225152 Ų15285%0.84981%0.813SS**  cis-176.3128.936.4172.3-171.8-162.6-150.28.1110.9
612I27Very low27Very low161 Ų161153.5 Ų153.583%0.82682%0.817SS**  trans64.2138.5161.7-60.4168.4000115.4
613G28.5Very low26.8Very low64 Ų64150.9 Ų150.966%0.6681%0.811SS**  cis-141.2166.2900000114.1
614I26.4Very low26.8Very low169 Ų169148.6 Ų148.687%0.86780%0.8SS**  trans-84.6119.5179.5-64.8170000108.8
615G26.3Very low26.7Very low76 Ų76144.3 Ų144.378%0.78479%0.791SS**  trans-116.629.7-176.700000114.7K617G615-K617 VanDerWaalsContact C-N 3.27Å; G615-K617 PolarHBondContact O-N 3.47Å
616R27.1Very low26.6Very low230 Ų230143 Ų14387%0.86879%0.787SS**  trans-71.580.5173.2-70.5-170-170.81693.3110.5L618R616-L618 PolarHBondContact O-N 2.81Å
617K28.2Very low26.7Very low191 Ų191145.5 Ų145.583%0.8379%0.794SS**  trans-73.882.1158.4-87-157.9171.7-164.70109.4G615G615-K617 VanDerWaalsContact C-N 3.27Å; G615-K617 PolarHBondContact O-N 3.47Å
618L27.2Very low26.4Very low169 Ų169144.7 Ų144.789%0.88579%0.785SS**  trans-74.1110.5138.1-74.1169.1000105R616R616-L618 PolarHBondContact O-N 2.81Å
619S26.3Very low26.6Very low91 Ų91144.9 Ų144.964%0.63678%0.779SS**  trans-110.6131.6173.7-1610000108.2
620T24.9Very low26.4Very low111 Ų111141.8 Ų141.868%0.68177%0.769SS**  trans-60.8-177.8174.9-28.30000111.9
621D28.6Very low26.4Very low140 Ų140148.6 Ų148.675%0.74978%0.776SS**  trans87.267.8157.1-46.1-38000117.5
622N26.8Very low26.6Very low144 Ų144142.4 Ų142.477%0.7777%0.768SS**  -150.811799.2-158.4-22.3000111.4
623I25.7Very low26.9Very low153 Ų153139.6 Ų139.679%0.78576%0.762SS**  trans-106.6112.4165.4-65.6175.1000107.2
624N26.9Very low27.3Very low120 Ų120140.9 Ų140.964%0.64276%0.761SS**  trans-150.4119.9154.8-105-63.6000110.4
625Q26.4Very low27.6Very low161 Ų161135.5 Ų135.575%0.75274%0.738SS**  trans48.189.9152.7-58.4175.154.400115.8
626Y21.6Very low28.3Very low226 Ų226138.4 Ų138.489%0.88673%0.734SS**  44.186.696.9-88.8-95.1000114.4
627S27.2Very low29.3Very low117 Ų117131.2 Ų131.282%0.81872%0.719SS**  trans-139102.1142-82.30000108.4S629S627-S629 PolarHBondContact O-N 3.34Å
628N23.3Very low30.5Very low124 Ų124126 Ų12666%0.66370%0.7SS**  trans-66.3114.8-170.41795.4000111.3N630N628-N630 PolarHBondContact OD1-N 2.9Å; N628-N630 PolarHBondContact OD1-ND2 2.89Å; N628-N630 PolarHBondContact OD1-OD1 3.49Å
629S28.2Very low31.6Very low107 Ų107127.3 Ų127.375%0.74869%0.693SS**  trans-132.274.516345.70000109S627 K631S627-S629 PolarHBondContact O-N 3.34Å; S629-K631 PolarHBondContact O-N 3.13Å
630N26.4Very low33.5Very low121 Ų121127.4 Ų127.465%0.64769%0.686SS**  trans-55.5119.1-176.7-84.6-25.2000112.6N628 S632N628-N630 PolarHBondContact OD1-N 2.9Å; N628-N630 PolarHBondContact OD1-ND2 2.89Å; N628-N630 PolarHBondContact OD1-OD1 3.49Å; N630-S632 PolarHBondContact O-N 2.89Å
631K27.7Very low35.5Very low221 Ų221124.4 Ų124.496%0.96167%0.672SS**  trans-71.767.9166-69.2178175.9175.70110.3S629S629-K631 PolarHBondContact O-N 3.13Å
632S28.5Very low37.5Very low95 Ų95121.3 Ų121.366%0.66466%0.661SS**  trans-135.519.2-176.465.60000115N630N630-S632 PolarHBondContact O-N 2.89Å
633S32.6Very low39.4Very low101 Ų101117.4 Ų117.471%0.70664%0.643SS**  trans-156.2108.1144.453.60000109.5C635S633-C635 VanDerWaalsContact C-N 3.26Å; S633-C635 PolarHBondContact O-N 3.07Å
634S36.2Very low41.8Very low91 Ų91112.9 Ų112.964%0.63662%0.622SS**  trans-70.397.6159.9179.50000105.5D638S634-D638 WeakPolarHBondContact CA-OD2 3.4Å; S634-D638 WeakPolarHBondContact CB-OD2 3.39Å; S634-D638 WeakPolarHBondContact OG-CB 3.47Å; S634-D638 PolarHBondContact OG-OD2 3.04Å
635C34.5Very low44Very low57 Ų57110.4 Ų110.439%0.38561%0.614SS.*  trans-63.8160.4-168.366.50000109.9S633 S637 D638S633-C635 VanDerWaalsContact C-N 3.26Å; S633-C635 PolarHBondContact O-N 3.07Å; C635-S637 PolarHBondContact O-N 2.99Å; C635-S637 WeakPolarHBondContact SG-CB 3.45Å; C635-D638 PolarHBondContact N-OD2 3.37Å; C635-D638 PolarHBondContact O-N 3.13Å
636I40.5Very low46.2Very low137 Ų137105.4 Ų105.470%0.70360%0.595SS**Hα-helixtrans-57.9-22.6178.5-60.1172.7000110.6D638 R639 I640I636-D638 PolarHBondContact O-N 3.04Å; I636-R639 PolarHBondContact O-N 3.35Å; I636-I640 HydrophobicContact CG2-CD1 3.81Å; I636-I640 HydrophobicContact CG2-CG1 4.15Å; I636-I640 WeakPolarHBondContact O-CB 3.5Å; I636-I640 VanDerWaalsContact O-CG1 3.29Å; I636-I640 WeakPolarHBondContact O-CG1 3.44Å; I636-I640 PolarHBondContact O-N 2.98Å
637S48Very low48.8Very low78 Ų7897 Ų9755%0.54557%0.565SS.*Hα-helixtrans-61.1-33.6170.7-142.80000114.4C635 A641C635-S637 PolarHBondContact O-N 2.99Å; C635-S637 WeakPolarHBondContact SG-CB 3.45Å; S637-A641 WeakPolarHBondContact O-CB 3.38Å; S637-A641 PolarHBondContact O-N 3.42Å
638D52.9Low51.2Low82 Ų8298.1 Ų98.144%0.43956%0.557SS.*Hα-helixtrans-69-42.1176.4-66-26.1000111.1S634 C635 I636 A641 S642S634-D638 WeakPolarHBondContact CA-OD2 3.4Å; S634-D638 WeakPolarHBondContact CB-OD2 3.39Å; S634-D638 WeakPolarHBondContact OG-CB 3.47Å; S634-D638 PolarHBondContact OG-OD2 3.04Å; C635-D638 PolarHBondContact N-OD2 3.37Å; C635-D638 PolarHBondContact O-N 3.13Å; I636-D638 PolarHBondContact O-N 3.04Å; D638-A641 PolarHBondContact O-N 3.48Å; D638-S642 VanDerWaalsContact O-CB 3.31Å; D638-S642 WeakPolarHBondContact O-CB 3.1Å; D638-S642 PolarHBondContact O-N 3.36Å
639R50.6Low53.8Low196 Ų19696 Ų9674%0.7456%0.557SS**Hα-helixtrans-69.9-38.3175.7-73.7-169175.8-153.9-0.6111.5I636 V643I636-R639 PolarHBondContact O-N 3.35Å; R639-V643 WeakPolarHBondContact O-CB 3.46Å; R639-V643 VanDerWaalsContact O-CG2 3.25Å; R639-V643 WeakPolarHBondContact O-CG2 3.41Å; R639-V643 PolarHBondContact O-N 2.93Å
640I65.2Low56.1Low93 Ų9394.2 Ų94.248%0.47753%0.534SS..Hα-helixtrans-63.6-46.9172.2-72.4171000109.9I636 S642 V643 V644I636-I640 HydrophobicContact CG2-CD1 3.81Å; I636-I640 HydrophobicContact CG2-CG1 4.15Å; I636-I640 WeakPolarHBondContact O-CB 3.5Å; I636-I640 VanDerWaalsContact O-CG1 3.29Å; I636-I640 WeakPolarHBondContact O-CG1 3.44Å; I636-I640 PolarHBondContact O-N 2.98Å; I640-S642 PolarHBondContact O-N 3.24Å; I640-V643 PolarHBondContact O-N 3.37Å; I640-V644 HydrophobicContact CG2-CG2 4.11Å; I640-V644 VanDerWaalsContact O-CB 3.31Å; I640-V644 WeakPolarHBondContact O-CB 3.41Å; I640-V644 VanDerWaalsContact O-CG2 3.24Å; I640-V644 WeakPolarHBondContact O-CG2 3.4Å; I640-V644 PolarHBondContact O-N 3.42Å
641A68.9Low58.7Low49 Ų4997.3 Ų97.341%0.40555%0.55SS.*Hα-helixtrans-59.7-47.5176.600000111.4S637 D638 V643 V644 S645S637-A641 WeakPolarHBondContact O-CB 3.38Å; S637-A641 PolarHBondContact O-N 3.42Å; D638-A641 PolarHBondContact O-N 3.48Å; A641-V643 VanDerWaalsContact C-N 3.34Å; A641-V643 PolarHBondContact O-N 2.88Å; A641-V644 PolarHBondContact O-N 2.91Å; A641-S645 WeakPolarHBondContact O-CB 3.4Å; A641-S645 PolarHBondContact O-N 3.39Å; A641-S645 PolarHBondContact O-OG 3.32Å; A641-S645 VanDerWaalsContact O-OG 3.06Å
642S68.8Low61.3Low74 Ų7489.5 Ų89.552%0.51752%0.519SS..Hα-helixtrans-61.7-38.4176.1-179.10000113.1D638 I640 T646D638-S642 VanDerWaalsContact O-CB 3.31Å; D638-S642 WeakPolarHBondContact O-CB 3.1Å; D638-S642 PolarHBondContact O-N 3.36Å; I640-S642 PolarHBondContact O-N 3.24Å; S642-T646 WeakPolarHBondContact O-CB 3.48Å; S642-T646 WeakPolarHBondContact O-CG2 3.39Å; S642-T646 PolarHBondContact O-N 2.89Å; S642-T646 PolarHBondContact O-OG1 3.38Å
643V67.1Low63.9Low62 Ų6288.7 Ų88.738%0.37651%0.512SS..Hα-helixtrans-70.5-40.8174.5168.50000111.4R639 I640 A641 T646 I647R639-V643 WeakPolarHBondContact O-CB 3.46Å; R639-V643 VanDerWaalsContact O-CG2 3.25Å; R639-V643 WeakPolarHBondContact O-CG2 3.41Å; R639-V643 PolarHBondContact O-N 2.93Å; I640-V643 PolarHBondContact O-N 3.37Å; A641-V643 VanDerWaalsContact C-N 3.34Å; A641-V643 PolarHBondContact O-N 2.88Å; V643-T646 WeakPolarHBondContact CA-OG1 3.26Å; V643-T646 PolarHBondContact O-N 3.12Å; V643-T646 PolarHBondContact O-OG1 3.25Å; V643-I647 HydrophobicContact CG1-CD1 3.79Å; V643-I647 WeakPolarHBondContact O-CD1 3.33Å; V643-I647 VanDerWaalsContact O-CG1 3.23Å; V643-I647 WeakPolarHBondContact O-CG1 3.37Å; V643-I647 PolarHBondContact O-N 3.44Å
644V77.4Confident66.3Low58 Ų5889.8 Ų89.835%0.35250%0.504SS..Hα-helixtrans-64.3-51.1175.9166.90000110.1I640 A641 T646 I647 E648I640-V644 HydrophobicContact CG2-CG2 4.11Å; I640-V644 VanDerWaalsContact O-CB 3.31Å; I640-V644 WeakPolarHBondContact O-CB 3.41Å; I640-V644 VanDerWaalsContact O-CG2 3.24Å; I640-V644 WeakPolarHBondContact O-CG2 3.4Å; I640-V644 PolarHBondContact O-N 3.42Å; A641-V644 PolarHBondContact O-N 2.91Å; V644-T646 PolarHBondContact O-N 3.16Å; V644-I647 CarbonylContact O-C 3.31Å; V644-I647 WeakPolarHBondContact O-CA 3.33Å; V644-I647 WeakPolarHBondContact O-CB 3.33Å; V644-I647 PolarHBondContact O-N 3.41Å; V644-E648 VanDerWaalsContact CG1-CD 3.45Å; V644-E648 HydrophobicContact CG1-CG 4.22Å; V644-E648 VanDerWaalsContact CG1-OE1 3.31Å; V644-E648 WeakPolarHBondContact CG1-OE1 3.41Å; V644-E648 WeakPolarHBondContact O-CB 3.44Å; V644-E648 VanDerWaalsContact O-CG 3.3Å; V644-E648 WeakPolarHBondContact O-CG 3.25Å; V644-E648 PolarHBondContact O-N 3.37Å
645S71.9Confident68.4Low69 Ų6987.6 Ų87.648%0.48349%0.491SS..Hα-helixtrans-61.2-29175.3-58.80000113.4A641 A649A641-S645 WeakPolarHBondContact O-CB 3.4Å; A641-S645 PolarHBondContact O-N 3.39Å; A641-S645 PolarHBondContact O-OG 3.32Å; A641-S645 VanDerWaalsContact O-OG 3.06Å; S645-A649 VanDerWaalsContact O-CB 3.23Å; S645-A649 WeakPolarHBondContact O-CB 3.26Å; S645-A649 PolarHBondContact O-N 3.08Å
646T73.9Confident70.7Confident55 Ų5585.8 Ų85.834%0.33748%0.476SS..Hα-helixtrans-83.3-19.3172.3520000114S642 V643 V644 Y650 Y656S642-T646 WeakPolarHBondContact O-CB 3.48Å; S642-T646 WeakPolarHBondContact O-CG2 3.39Å; S642-T646 PolarHBondContact O-N 2.89Å; S642-T646 PolarHBondContact O-OG1 3.38Å; V643-T646 WeakPolarHBondContact CA-OG1 3.26Å; V643-T646 PolarHBondContact O-N 3.12Å; V643-T646 PolarHBondContact O-OG1 3.25Å; V644-T646 PolarHBondContact O-N 3.16Å; T646-Y650 WeakPolarHBondContact O-CD2 3.29Å; T646-Y656 WeakPolarHBondContact O-CD2 3.47Å; T646-Y656 VanDerWaalsContact O-CE2 3.27Å; T646-Y656 WeakPolarHBondContact O-CE2 3.3Å; T646-Y656 PolarHBondContact OG1-OH 3.07Å
647I74.9Confident72.6Confident50 Ų5084.1 Ų84.126%0.25647%0.469SS..Hα-helixtrans-74.9-42.9165.4-70.1160.5000110.2V643 V644 A649 Y650 P653 Y656V643-I647 HydrophobicContact CG1-CD1 3.79Å; V643-I647 WeakPolarHBondContact O-CD1 3.33Å; V643-I647 VanDerWaalsContact O-CG1 3.23Å; V643-I647 WeakPolarHBondContact O-CG1 3.37Å; V643-I647 PolarHBondContact O-N 3.44Å; V644-I647 CarbonylContact O-C 3.31Å; V644-I647 WeakPolarHBondContact O-CA 3.33Å; V644-I647 WeakPolarHBondContact O-CB 3.33Å; V644-I647 PolarHBondContact O-N 3.41Å; I647-A649 VanDerWaalsContact C-N 3.34Å; I647-Y650 PolarHBondContact O-N 3.32Å; I647-P653 HydrophobicContact CG2-CB 3.73Å; I647-P653 HydrophobicContact CG2-CG 3.95Å; I647-Y656 HydrophobicContact CB-CD1 4.41Å; I647-Y656 HydrophobicContact CD1-CD1 4.42Å; I647-Y656 HydrophobicContact CD1-CE1 4.25Å; I647-Y656 HydrophobicContact CG1-CD1 3.41Å; I647-Y656 VanDerWaalsContact CG1-CD1 3.41Å; I647-Y656 HydrophobicContact CG1-CE1 3.47Å; I647-Y656 VanDerWaalsContact CG1-CE1 3.47Å; I647-Y656 HydrophobicContact CG1-CG 3.96Å
648E77.3Confident74.2Confident141 Ų14186.1 Ų86.166%0.65947%0.468SS*.Hα-helixtrans-70.4-27.1179.4-69.6169.1161.100112.7V644 Y650V644-E648 VanDerWaalsContact CG1-CD 3.45Å; V644-E648 HydrophobicContact CG1-CG 4.22Å; V644-E648 VanDerWaalsContact CG1-OE1 3.31Å; V644-E648 WeakPolarHBondContact CG1-OE1 3.41Å; V644-E648 WeakPolarHBondContact O-CB 3.44Å; V644-E648 VanDerWaalsContact O-CG 3.3Å; V644-E648 WeakPolarHBondContact O-CG 3.25Å; V644-E648 PolarHBondContact O-N 3.37Å; E648-Y650 PolarHBondContact O-N 3.38Å; E648-Y650 VanDerWaalsContact O-N 3.14Å
649A78Confident75.5Confident79 Ų7987 Ų8765%0.65347%0.466SS*.THydrogen-bonded Turntrans-69.42170.800000114.3S645 I647S645-A649 VanDerWaalsContact O-CB 3.23Å; S645-A649 WeakPolarHBondContact O-CB 3.26Å; S645-A649 PolarHBondContact O-N 3.08Å; I647-A649 VanDerWaalsContact C-N 3.34Å
650Y77.3Confident76.9Confident69 Ų6984.3 Ų84.327%0.27146%0.455SS..SBendtrans-121.9123.9176.3-76.4-117000109.7T646 I647 E648 D652 A655 Y656 Y659T646-Y650 WeakPolarHBondContact O-CD2 3.29Å; I647-Y650 PolarHBondContact O-N 3.32Å; E648-Y650 PolarHBondContact O-N 3.38Å; E648-Y650 VanDerWaalsContact O-N 3.14Å; Y650-D652 CarbonylContact O-C 2.95Å; Y650-D652 PolarHBondContact O-N 2.94Å; Y650-A655 HydrophobicContact CD1-CB 4.32Å; Y650-Y656 AromaticContact CD2-CD2 3.8Å; Y650-Y656 HydrophobicContact CD2-CD2 3.8Å; Y650-Y656 AromaticContact CE2-CD2 3.82Å; Y650-Y656 HydrophobicContact CE2-CD2 3.82Å; Y650-Y656 HydrophobicContact CG-CD2 4.27Å; Y650-Y659 HydrophobicContact CE1-CD1 4.18Å; Y650-Y659 HydrophobicContact CE1-CD2 4.3Å; Y650-Y659 AromaticContact CE1-CG 3.89Å; Y650-Y659 HydrophobicContact CE1-CG 3.89Å; Y650-Y659 AromaticContact CZ-CD1 3.92Å; Y650-Y659 VanDerWaalsContact OH-CD1 3.28Å; Y650-Y659 WeakPolarHBondContact OH-CD1 3.43Å; Y650-Y659 WeakPolarHBondContact OH-CE1 3.44Å
651D79.7Confident77.5Confident186 Ų18684.9 Ų84.9100%0.99546%0.457SS*.SBendtrans-55.8-17.1-177.4-61.3-45.1000115.1
652D82.4Confident77.5Confident58 Ų5890.7 Ų90.731%0.3147%0.474SS..SBendtrans-133124.4164.7-174.4-11000108.8Y650 K654 A655 Y656Y650-D652 CarbonylContact O-C 2.95Å; Y650-D652 PolarHBondContact O-N 2.94Å; D652-K654 PolarHBondContact O-N 3.27Å; D652-K654 WeakPolarHBondContact OD1-CB 3.36Å; D652-K654 PolarHBondContact OD1-N 3.32Å; D652-K654 IonicContact OD1-NZ 2.66Å; D652-K654 PolarHBondContact OD1-NZ 3.07Å; D652-K654 IonicContact OD2-NZ 2.68Å; D652-K654 PolarHBondContact OD2-NZ 3.2Å; D652-A655 HydrophobicContact CB-CB 4.08Å; D652-A655 WeakPolarHBondContact O-CA 3.4Å; D652-A655 VanDerWaalsContact O-CB 3.24Å; D652-A655 WeakPolarHBondContact O-CB 3.41Å; D652-A655 PolarHBondContact O-N 3.08Å; D652-Y656 PolarHBondContact O-N 3.05Å
653P84.1Confident77.2Confident78 Ų7891.9 Ų91.951%0.50647%0.471SS..Hα-helixtrans-53.4-25.3169.6-31.238.1000113.9I647 Y656 L657I647-P653 HydrophobicContact CG2-CB 3.73Å; I647-P653 HydrophobicContact CG2-CG 3.95Å; P653-Y656 PolarHBondContact O-N 3.49Å; P653-L657 WeakPolarHBondContact O-CB 3.34Å; P653-L657 PolarHBondContact O-N 2.94Å
654K83Confident76Confident124 Ų12491.4 Ų91.454%0.53948%0.478SS..Hα-helixtrans-73.9-28.5170.6-62.9176.6-11561.10112.8D652 L657 F658D652-K654 PolarHBondContact O-N 3.27Å; D652-K654 WeakPolarHBondContact OD1-CB 3.36Å; D652-K654 PolarHBondContact OD1-N 3.32Å; D652-K654 IonicContact OD1-NZ 2.66Å; D652-K654 PolarHBondContact OD1-NZ 3.07Å; D652-K654 IonicContact OD2-NZ 2.68Å; D652-K654 PolarHBondContact OD2-NZ 3.2Å; K654-L657 PolarHBondContact O-N 3.11Å; K654-F658 WeakPolarHBondContact O-CB 3.47Å; K654-F658 WeakPolarHBondContact O-CD2 3.06Å; K654-F658 PolarHBondContact O-N 3.42Å
655A80.7Confident74.3Confident45 Ų4594.3 Ų94.337%0.37250%0.496SS..Hα-helixtrans-68.2-40.5170.100000110.4Y650 D652 F658 Y659Y650-A655 HydrophobicContact CD1-CB 4.32Å; D652-A655 HydrophobicContact CB-CB 4.08Å; D652-A655 WeakPolarHBondContact O-CA 3.4Å; D652-A655 VanDerWaalsContact O-CB 3.24Å; D652-A655 WeakPolarHBondContact O-CB 3.41Å; D652-A655 PolarHBondContact O-N 3.08Å; A655-F658 PolarHBondContact O-N 3.32Å; A655-Y659 WeakPolarHBondContact O-CB 3.28Å; A655-Y659 PolarHBondContact O-N 3Å
656Y83.3Confident72.8Confident18 Ų1899.3 Ų99.37%0.07151%0.512CS..Hα-helixtrans-60.5-44.6167.7-179.6-96.6000111.8T646 I647 Y650 D652 P653 F658 Y659 R660T646-Y656 WeakPolarHBondContact O-CD2 3.47Å; T646-Y656 VanDerWaalsContact O-CE2 3.27Å; T646-Y656 WeakPolarHBondContact O-CE2 3.3Å; T646-Y656 PolarHBondContact OG1-OH 3.07Å; I647-Y656 HydrophobicContact CB-CD1 4.41Å; I647-Y656 HydrophobicContact CD1-CD1 4.42Å; I647-Y656 HydrophobicContact CD1-CE1 4.25Å; I647-Y656 HydrophobicContact CG1-CD1 3.41Å; I647-Y656 VanDerWaalsContact CG1-CD1 3.41Å; I647-Y656 HydrophobicContact CG1-CE1 3.47Å; I647-Y656 VanDerWaalsContact CG1-CE1 3.47Å; I647-Y656 HydrophobicContact CG1-CG 3.96Å; Y650-Y656 AromaticContact CD2-CD2 3.8Å; Y650-Y656 HydrophobicContact CD2-CD2 3.8Å; Y650-Y656 AromaticContact CE2-CD2 3.82Å; Y650-Y656 HydrophobicContact CE2-CD2 3.82Å; Y650-Y656 HydrophobicContact CG-CD2 4.27Å; D652-Y656 PolarHBondContact O-N 3.05Å; P653-Y656 PolarHBondContact O-N 3.49Å; Y656-F658 PolarHBondContact O-N 3.02Å; Y656-Y659 PolarHBondContact O-N 2.85Å; Y656-R660 HydrophobicContact CD1-CG 3.89Å; Y656-R660 HydrophobicContact CD2-CG 4.4Å; Y656-R660 HydrophobicContact CE1-CG 3.52Å; Y656-R660 HydrophobicContact CE2-CG 4.08Å; Y656-R660 HydrophobicContact CG-CG 4.35Å; Y656-R660 WeakPolarHBondContact O-CB 3.32Å; Y656-R660 WeakPolarHBondContact O-CG 3.49Å; Y656-R660 PolarHBondContact O-N 2.81Å; Y656-R660 PolarHBondContact OH-NH1 3.19Å
657L80Confident71.2Confident103 Ų103104.8 Ų104.854%0.53953%0.534SS..Hα-helixtrans-65.4-40.3179.9-147.379.2000112.4P653 K654 R660 M661P653-L657 WeakPolarHBondContact O-CB 3.34Å; P653-L657 PolarHBondContact O-N 2.94Å; K654-L657 PolarHBondContact O-N 3.11Å; L657-R660 PolarHBondContact O-N 2.64Å; L657-M661 HydrophobicContact CB-CE 4.42Å; L657-M661 HydrophobicContact CD2-CE 4.24Å; L657-M661 HydrophobicContact CG-CE 4.21Å; L657-M661 WeakPolarHBondContact O-CB 3.36Å; L657-M661 WeakPolarHBondContact O-CE 3.25Å; L657-M661 VanDerWaalsContact O-CG 3.29Å; L657-M661 WeakPolarHBondContact O-CG 3.45Å; L657-M661 PolarHBondContact O-N 3.23Å
658F81.8Confident69.2Low120 Ų120109.5 Ų109.553%0.52656%0.558SS.*Hα-helixtrans-67.8-41173.1-86.1-59.4000111.9K654 A655 Y656 M661 F662K654-F658 WeakPolarHBondContact O-CB 3.47Å; K654-F658 WeakPolarHBondContact O-CD2 3.06Å; K654-F658 PolarHBondContact O-N 3.42Å; A655-F658 PolarHBondContact O-N 3.32Å; Y656-F658 PolarHBondContact O-N 3.02Å; F658-M661 HydrophobicContact CD1-CE 3.83Å; F658-M661 HydrophobicContact CE1-CE 4.16Å; F658-M661 HydrophobicContact CG-CE 4.33Å; F658-M661 PolarHBondContact O-N 2.86Å; F658-M661 VanDerWaalsContact O-N 3.14Å; F658-F662 HydrophobicContact CB-CD2 4.45Å; F658-F662 HydrophobicContact CD1-CD2 4.13Å; F658-F662 AromaticContact CD1-CE2 3.71Å; F658-F662 HydrophobicContact CD1-CE2 3.71Å; F658-F662 HydrophobicContact CE1-CE2 4.27Å; F658-F662 WeakPolarHBondContact O-CB 3.34Å; F658-F662 WeakPolarHBondContact O-CD2 3.49Å; F658-F662 PolarHBondContact O-N 2.93Å
659Y79.5Confident67Low101 Ų101110.7 Ų110.740%0.39656%0.563SS.*Hα-helixtrans-57.9-50.5172.4178.1-96.6000110.1Y650 A655 Y656 M661 F662 Q663Y650-Y659 HydrophobicContact CE1-CD1 4.18Å; Y650-Y659 HydrophobicContact CE1-CD2 4.3Å; Y650-Y659 AromaticContact CE1-CG 3.89Å; Y650-Y659 HydrophobicContact CE1-CG 3.89Å; Y650-Y659 AromaticContact CZ-CD1 3.92Å; Y650-Y659 VanDerWaalsContact OH-CD1 3.28Å; Y650-Y659 WeakPolarHBondContact OH-CD1 3.43Å; Y650-Y659 WeakPolarHBondContact OH-CE1 3.44Å; A655-Y659 WeakPolarHBondContact O-CB 3.28Å; A655-Y659 PolarHBondContact O-N 3Å; Y656-Y659 PolarHBondContact O-N 2.85Å; Y659-M661 PolarHBondContact O-N 2.72Å; Y659-F662 PolarHBondContact O-N 2.68Å; Y659-Q663 VanDerWaalsContact CZ-NE2 3.27Å; Y659-Q663 WeakPolarHBondContact O-CA 3.11Å; Y659-Q663 WeakPolarHBondContact O-CB 3.46Å; Y659-Q663 PolarHBondContact O-N 2.67Å; Y659-Q663 PolarHBondContact OH-NE2 3.3Å; Y659-Q663 PolarHBondContact OH-OE1 2.87Å
660R79.6Confident64.9Low139 Ų139113.4 Ų113.453%0.52557%0.572SS.*Hα-helixtrans-64.4-18.6174.2-71.1-67.2-60.4-91.93.3115.1Y656 L657Y656-R660 HydrophobicContact CD1-CG 3.89Å; Y656-R660 HydrophobicContact CD2-CG 4.4Å; Y656-R660 HydrophobicContact CE1-CG 3.52Å; Y656-R660 HydrophobicContact CE2-CG 4.08Å; Y656-R660 HydrophobicContact CG-CG 4.35Å; Y656-R660 WeakPolarHBondContact O-CB 3.32Å; Y656-R660 WeakPolarHBondContact O-CG 3.49Å; Y656-R660 PolarHBondContact O-N 2.81Å; Y656-R660 PolarHBondContact OH-NH1 3.19Å; L657-R660 PolarHBondContact O-N 2.64Å
661M77.5Confident62.7Low105 Ų105116.8 Ų116.852%0.51760%0.6SS.*Hα-helixtrans-91.6-31.1174.8-78.8-173.7-71.100113.4L657 F658 Y659L657-M661 HydrophobicContact CB-CE 4.42Å; L657-M661 HydrophobicContact CD2-CE 4.24Å; L657-M661 HydrophobicContact CG-CE 4.21Å; L657-M661 WeakPolarHBondContact O-CB 3.36Å; L657-M661 WeakPolarHBondContact O-CE 3.25Å; L657-M661 VanDerWaalsContact O-CG 3.29Å; L657-M661 WeakPolarHBondContact O-CG 3.45Å; L657-M661 PolarHBondContact O-N 3.23Å; F658-M661 HydrophobicContact CD1-CE 3.83Å; F658-M661 HydrophobicContact CE1-CE 4.16Å; F658-M661 HydrophobicContact CG-CE 4.33Å; F658-M661 PolarHBondContact O-N 2.86Å; F658-M661 VanDerWaalsContact O-N 3.14Å; Y659-M661 PolarHBondContact O-N 2.72Å
662F70.3Confident60.3Low170 Ų170113.9 Ų113.975%0.74659%0.589SS**Hα-helixtrans-97.2-16.7178.4-75.4-63.9000113.7F658 Y659 G664F658-F662 HydrophobicContact CB-CD2 4.45Å; F658-F662 HydrophobicContact CD1-CD2 4.13Å; F658-F662 AromaticContact CD1-CE2 3.71Å; F658-F662 HydrophobicContact CD1-CE2 3.71Å; F658-F662 HydrophobicContact CE1-CE2 4.27Å; F658-F662 WeakPolarHBondContact O-CB 3.34Å; F658-F662 WeakPolarHBondContact O-CD2 3.49Å; F658-F662 PolarHBondContact O-N 2.93Å; Y659-F662 PolarHBondContact O-N 2.68Å; F662-G664 PolarHBondContact O-N 3.37Å
663Q61.3Low57.8Low100 Ų100117.1 Ų117.147%0.46761%0.611SS.*SBendtrans-71.875.3158.7-171.1144.787.200107.8Y659Y659-Q663 VanDerWaalsContact CZ-NE2 3.27Å; Y659-Q663 WeakPolarHBondContact O-CA 3.11Å; Y659-Q663 WeakPolarHBondContact O-CB 3.46Å; Y659-Q663 PolarHBondContact O-N 2.67Å; Y659-Q663 PolarHBondContact OH-NE2 3.3Å; Y659-Q663 PolarHBondContact OH-OE1 2.87Å
664G43.3Very low55.4Low51 Ų51120.9 Ų120.953%0.52663%0.627SS.*  trans-50.3143.2157.300000108.5F662 E666F662-G664 PolarHBondContact O-N 3.37Å; G664-E666 PolarHBondContact O-N 3.04Å
665V41.4Very low52.9Low119 Ų119118.5 Ų118.572%0.72164%0.638SS**  trans-72.991.1-167.8-176.80000109.5E667V665-E667 HydrophobicContact CG1-CB 3.84Å; V665-E667 HydrophobicContact CG1-CG 3.58Å; V665-E667 PolarHBondContact O-N 3.26Å
666E39.9Very low50.5Low174 Ų174122.1 Ų122.181%0.81365%0.65SS**  trans-7256.4163.5-68.6-173.3179.600109.9G664 I668G664-E666 PolarHBondContact O-N 3.04Å; E666-I668 PolarHBondContact O-N 2.96Å
667E39.8Very low47.9Very low171 Ų171130.8 Ų130.880%0.79969%0.688SS**  trans-72.881.6158.5-84.8179.3-156.500107.4V665 E669V665-E667 HydrophobicContact CG1-CB 3.84Å; V665-E667 HydrophobicContact CG1-CG 3.58Å; V665-E667 PolarHBondContact O-N 3.26Å; E667-E669 PolarHBondContact O-N 2.71Å
668I33.7Very low45.4Very low149 Ų149135.2 Ų135.276%0.76471%0.706SS**  trans-52.2125.3168.4-63.8168.2000107.4E666E666-I668 PolarHBondContact O-N 2.96Å
669E31.3Very low42.8Very low165 Ų165133.3 Ų133.377%0.77171%0.713SS**SBendtrans-51.1136.6-171.7-56.7164.9107.400112.7E667E667-E669 PolarHBondContact O-N 2.71Å
670T33.3Very low40.3Very low136 Ų136137.6 Ų137.683%0.83473%0.733SS**  171.385.8122.132.40000112.3
671T30.6Very low37.8Very low140 Ų140136.3 Ų136.386%0.85975%0.746SS**SBendtrans-145.8134154.4-62.70000108.7
672T30.5Very low35.3Very low125 Ų125137.2 Ų137.277%0.76776%0.76SS**  trans-80.7130.9-157.844.80000114.4D674T672-D674 PolarHBondContact O-N 3.21Å
673T30.3Very low33.2Very low127 Ų127139.3 Ų139.378%0.77976%0.764SS**SBendtrans-80.269.6-175.7-440000113.5
674D31.8Very low31.4Very low157 Ų157139.4 Ų139.484%0.8478%0.776SS**  trans-125.9-1.7175.6-83.9-53.6000114.4T672T672-D674 PolarHBondContact O-N 3.21Å
675G31.4Very low30.5Very low74 Ų74142.1 Ų142.176%0.76379%0.787SS**SBendtrans-97.5-7.7-168.800000117.9
676I31.1Very low29.8Very low121 Ų121141.8 Ų141.862%0.62179%0.785SS**SBendtrans-95.5-19.9-159.4-63.4177.2000114
677F26.9Very low29Very low199 Ų199139.8 Ų139.887%0.87378%0.779SS**SBendtrans-115.651.6-169.7-67.5-68.6000115.4
678Q28.3Very low28.5Very low196 Ų196141.5 Ų141.592%0.91679%0.785SS**SBendtrans-140.914.1162.6-146166.51300115.3F680Q678-F680 PolarHBondContact O-N 2.98Å
679A27.5Very low27.9Very low81 Ų81142 Ų14267%0.66978%0.784SS**SBendtrans-90.215.2-175.500000115.7
680F27.1Very low27.7Very low190 Ų190142.6 Ų142.683%0.83378%0.784SS**  trans-139.687.9-176.6-68.1-71.5000113.6Q678Q678-F680 PolarHBondContact O-N 2.98Å
681S26.6Very low27.4Very low113 Ų113142.3 Ų142.379%0.7977%0.773SS**  trans-164.4102.4161.2-81.50000111.2
682P25.5Very low27.2Very low123 Ų123144.7 Ų144.780%0.79977%0.772SS**  trans-98.9116.4-179.534.2-29.3000113.3
683Y25.8Very low27Very low214 Ų214144 Ų14484%0.83977%0.773SS**  trans-147.9122.5166.3-77.4-81.7000105.3
684S23.4Very low27Very low103 Ų103143 Ų14372%0.7277%0.768SS**  cis118140.335.761.20000108.8
685S24.8Very low26.6Very low107 Ų107142.5 Ų142.575%0.74876%0.76SS**  trans109.8105.7154-158.50000120.3
686V26.3Very low26.3Very low112 Ų112146.9 Ų146.968%0.67976%0.759SS**  trans75.2109.1130.8177.50000121.8
687D24Very low26Very low132 Ų132147.2 Ų147.271%0.70676%0.762SS**  trans35.6138.8131.2-53.7-60.6000124.2
688F28.3Very low26Very low207 Ų207144.7 Ų144.791%0.90876%0.758SS**  -165.6150.7101.3-111.5-75.2000113.2
689Q22.2Very low25.9Very low159 Ų159140.4 Ų140.474%0.74375%0.745SS**  trans-100.4147.6178.5-74.1-161.85.200114.8
690K27Very low25.8Very low179 Ų179143.7 Ų143.778%0.77875%0.751SS**  179124.3122.6-97.3178.4175.9-177.50109.6
691Q25.2Very low25.9Very low129 Ų129143.6 Ų143.660%0.60375%0.753SS**  52.7105.585.4-64.6-178-22.700114
692F26.4Very low25.8Very low190 Ų190146.9 Ų146.983%0.83376%0.756SS**  -166.2162.585-95.1-73.5000111.3
693S26.6Very low26.1Very low112 Ų112149.3 Ų149.378%0.78376%0.761SS**  trans-110.7-152.1-176.7-52.60000111.1
694P30.4Very low26.1Very low104 Ų104146 Ų14668%0.67576%0.758SS**  -129-163.2-96.238.8-20.1000114.7
695E23.8Very low26.3Very low147 Ų147151.4 Ų151.469%0.68776%0.764SS**  trans91.6145.9144.3-123.468.3-125.900122.6
696F25.1Very low26.4Very low166 Ų166154.2 Ų154.273%0.72877%0.765SS**  trans60.9109.7161.2-72.9-64.7000123.6
697N24.4Very low26.5Very low128 Ų128155.4 Ų155.468%0.68477%0.767SS**  40136.6116.9-63.614000120.7
698D28.1Very low26.7Very low147 Ų147157.8 Ų157.879%0.78677%0.774SS**  -163.7173.877.9-130.5-39.8000115.3
699T24.9Very low26.6Very low106 Ų106152.1 Ų152.165%0.6576%0.76SS**  trans-101145.8-172.151.60000113.6
700N25.1Very low26.8Very low149 Ų149155.7 Ų155.780%0.79777%0.768SS**  167.7175.9116.5-96.1-64.6000116.1
701E31Very low26.9Very low189 Ų189150.4 Ų150.488%0.88376%0.764SS**  trans91.1106.6161.1-53.6-139.6149.400118.9
702Q23.9Very low27Very low182 Ų182151.8 Ų151.885%0.8577%0.774SS**  trans-77.1158.8174.1-60.1159.7-47.700111.4
703L30.8Very low27Very low173 Ų173149.8 Ų149.891%0.90677%0.772SS**  trans-117.5145148.3-77.8175.4000109.6
704N25.7Very low27.3Very low144 Ų144151.9 Ų151.977%0.7777%0.77SS**  trans-126.2133.2-165.6179.81.8000110.4
705Y29.3Very low27Very low217 Ų217152.1 Ų152.185%0.85177%0.769SS**  trans-128.9112.5173.7-84.9-78000111.8
706H26.7Very low27.2Very low167 Ų167152.6 Ų152.677%0.77377%0.769SS**  trans4.8114.9144.3-136.671.4000116.1
707L27.2Very low27.3Very low136 Ų136146 Ų14671%0.71274%0.743SS**  cis87.7106.943.5-166.474.1000115.3
708H28.9Very low27.3Very low183 Ų183143.8 Ų143.885%0.84773%0.727SS**  trans-142.9164.3149.3-86.628.1000105.5
709S25.4Very low27.1Very low88 Ų88143.3 Ų143.362%0.61572%0.719SS**  cis170.4152.1-29.9-172.50000104.9
710Y27.4Very low27Very low234 Ų234146 Ų14692%0.91872%0.724SS**  trans65.8137.3-163.7-47.4-81.6000114.2
711G27.9Very low27Very low68 Ų68144.2 Ų144.270%0.70172%0.718SS**  cis172132.3-13.400000115.3
712I28.7Very low26.8Very low158 Ų158141.8 Ų141.881%0.8171%0.712SS**  trans68.996.2150.6-34.2-178.3000119.8
713D25.6Very low26.9Very low147 Ų147138.2 Ų138.279%0.78671%0.706SS**  trans61.1149.4132.3-58.6-39.5000127.5
714E32.7Very low26.6Very low157 Ų157137.3 Ų137.373%0.73470%0.702SS**  trans54.193.2150.7-71.6-171.3-179.700123.2
715T25.3Very low26.7Very low109 Ų109135.4 Ų135.467%0.66970%0.696SS**  20.6101104.3-41.30000117.4
716F27.3Very low26.5Very low156 Ų156133 Ų13368%0.68469%0.692SS**  -161.8165.6129.8-107.4-84000111.3Q72Q72-F716 HydrophobicContact CG-CB 4.17Å; Q72-F716 HydrophobicContact CG-CD1 3.64Å; Q72-F716 HydrophobicContact CG-CG 4.3Å
717P26.2Very low26.5Very low27 Ų27130.8 Ų130.818%0.17569%0.687CS.*  trans-107.4-151.2-162.3-7.131.1000119.7L70 V71 Q72L70-P717 HydrophobicContact CB-CB 3.4Å; L70-P717 VanDerWaalsContact CB-CB 3.4Å; L70-P717 HydrophobicContact CB-CG 4.47Å; L70-P717 HydrophobicContact CD1-CB 3.84Å; L70-P717 HydrophobicContact CD1-CG 4.29Å; L70-P717 HydrophobicContact CG-CB 3.53Å; L70-P717 HydrophobicContact CG-CG 4.49Å; V71-P717 HydrophobicContact CB-CG 4.22Å; V71-P717 HydrophobicContact CG1-CG 3.69Å; Q72-P717 HydrophobicContact CB-CB 4.2Å; Q72-P717 HydrophobicContact CB-CG 4.43Å; Q72-P717 WeakPolarHBondContact CB-O 3.34Å; Q72-P717 VanDerWaalsContact CG-CD 3.5Å; Q72-P717 VanDerWaalsContact N-CB 3.34Å; Q72-P717 PolarHBondContact NE2-O 3.39Å; Q72-P717 VanDerWaalsContact NE2-O 3.12Å
718K24.5Very low26.5Very low82 Ų82132.8 Ų132.836%0.35769%0.689SS.*  cis-157.8-176.922.4-147.2-177.1-176.5147.20117.3L70 V71 Q72L70-K718 WeakPolarHBondContact O-CG 3.44Å; V71-K718 VanDerWaalsContact CA-CG 3.45Å; V71-K718 VanDerWaalsContact O-CD 3.26Å; V71-K718 WeakPolarHBondContact O-CD 3.37Å; V71-K718 VanDerWaalsContact O-CE 3.32Å; V71-K718 WeakPolarHBondContact O-CE 3.4Å; V71-K718 PolarHBondContact O-NZ 2.94Å; Q72-K718 VanDerWaalsContact C-CD 3.45Å; Q72-K718 HydrophobicContact CB-CB 3.82Å; Q72-K718 VanDerWaalsContact N-CB 3.26Å; Q72-K718 VanDerWaalsContact N-CG 3.26Å; Q72-K718 WeakPolarHBondContact O-CB 3.41Å; Q72-K718 WeakPolarHBondContact O-CD 3.42Å; Q72-K718 VanDerWaalsContact O-CG 3.29Å; Q72-K718 WeakPolarHBondContact O-CG 3.23Å
719F25.1Very low26.3Very low137 Ų137134.6 Ų134.660%0.60169%0.69SS**  trans21.2138.1133.9-85.46.1000117.9
720Q23Very low26.3Very low164 Ų164135.7 Ų135.777%0.76670%0.698SS**  trans64.9132147.1-65.2172.5-9.200115.6
721T24.9Very low26.4Very low110 Ų110128 Ų12868%0.67569%0.689SS**  cis-157.2157.32.5-3.60000110.2
722N26.4Very low26.5Very low139 Ų139132.7 Ų132.774%0.74370%0.695SS**  trans44.3111.1147.3-57.7-11000120.7
723S26.4Very low26.7Very low106 Ų106131.5 Ų131.574%0.74169%0.69SS**  trans60.4123.6132.366.50000122.2
724N24.9Very low27.1Very low154 Ų154131.9 Ų131.982%0.82469%0.691SS**  trans67.3140.7144-102.5-15000117.9
725V26.7Very low26.8Very low105 Ų105128.8 Ų128.864%0.63669%0.687SS**  cis-150.9142.610.4-160.50000110.2
726Q25.6Very low27Very low165 Ų165129.5 Ų129.577%0.77169%0.691SS**  trans53.4135150.2-83.1176.118.800125
727N27.5Very low27.1Very low122 Ų122128.6 Ų128.665%0.65269%0.693SS**  101.1132.9124.6-96-45.1000124.9
728K25.7Very low27.4Very low177 Ų177134.3 Ų134.377%0.7772%0.722SS**  trans84.6166.1147.4-71.8175-179.4-179.80120.9
729Y24.9Very low27.8Very low222 Ų222138.9 Ų138.987%0.87175%0.745SS**  trans76.1145.4-164.1-67.6-92.3000115.9
730S26.3Very low28.2Very low110 Ų110141.2 Ų141.277%0.76976%0.758SS**  cis-177.1149.8-32.7-1060000110.3
731G30Very low28.3Very low72 Ų72139.7 Ų139.774%0.74276%0.759SS**  trans150.5117.515500000120.2
732M29.1Very low28.5Very low168 Ų168138.8 Ų138.883%0.82876%0.756SS**  trans69.2116.6130.8-156.5177.768.700121.9
733L32.6Very low28.5Very low133 Ų133141.7 Ų141.770%0.69676%0.758SS**  160.2132.2121.6-83.2173.6000113.1
734L34.3Very low28.5Very low154 Ų154143 Ų14381%0.80675%0.752SS**  trans43.8156.7141.6-54.5172.8000122.9
735S26.8Very low28.9Very low92 Ų92141.6 Ų141.664%0.64374%0.744SS**  cis-178.2119.7-26.61790000112.5
736V28.9Very low29Very low124 Ų124144 Ų14475%0.75275%0.753SS**  trans75.2150.4145.5171.70000121.2
737D28.8Very low29.5Very low138 Ų138142 Ų14274%0.73875%0.754SS**  trans75.599.6169.7-64.6-14.5000123.1
738D32.2Very low29.5Very low147 Ų147140 Ų14079%0.78675%0.75SS**  65.2134.2123.6-68.43.9000127.1
739E34Very low29.7Very low178 Ų178139.1 Ų139.183%0.83275%0.748SS**  trans79.1152.3155.9-71.6-61.6163.300123.6
740E32.5Very low29.7Very low186 Ų186138 Ų13887%0.86975%0.75SS**  trans56.559.7-178.7-65.3-152.1150.200119.1
741T27Very low29.7Very low131 Ų131136.6 Ų136.680%0.80474%0.741SS**  trans-65.6156.9138.6570000110.5
742P28.6Very low29.6Very low92 Ų92140.5 Ų140.560%0.59775%0.745SS**  cis-151177.335.245.2-25.5000119.2
743Y25Very low29.3Very low199 Ų199138.4 Ų138.478%0.7874%0.736SS**  trans73.8134.6152.2-61.5-26.1000119
744Q27.9Very low28.8Very low133 Ų133139.3 Ų139.362%0.62175%0.747SS**  cis-157.5165-6.2-130.9170.7-60.100114.7
745D32.9Very low28.2Very low125 Ų125136.3 Ų136.367%0.66874%0.736SS**  trans61.7100.3154.2-58.8-28.5000119.5
746L29.3Very low28Very low156 Ų156138.5 Ų138.582%0.81774%0.739SS**  trans-57.2153.3131.6-63.384.3000108.3
747P34.5Very low27.6Very low122 Ų122137.3 Ų137.379%0.79274%0.736SS**  -127.1129.1106.41.618.4000112.7
748S28.5Very low27.4Very low82 Ų82136.7 Ų136.757%0.57374%0.737SS**  trans-61.7139.1141.352.20000109
749H29.5Very low26.8Very low158 Ų158132.6 Ų132.673%0.73172%0.72SS**  -168.9119.3120.7-104.1-69.2000112.2S751H749-S751 PolarHBondContact O-N 3.28Å
750H24.9Very low26.3Very low197 Ų197131 Ų13191%0.91272%0.717SS**  trans-69.5105.4142-83.4-95000107
751S27Very low25.7Very low81 Ų81127 Ų12757%0.56671%0.71SS**  trans-170.746.8158.359.80000112.6H749H749-S751 PolarHBondContact O-N 3.28Å
752D28.4Very low25.6Very low155 Ų155132.1 Ų132.183%0.82972%0.715SS**  trans-130.996.7151.1-107-36000110.9
753L21.6Very low25.4Very low123 Ų123133.1 Ų133.164%0.64472%0.719SS**  trans-5.2133135.4-75.954.4000114.9T755L753-T755 PolarHBondContact O-N 3.44Å
754T23.2Very low25.3Very low152 Ų152131.3 Ų131.393%0.93372%0.722SS**SBendtrans-70.472.5156.650.80000109.7
755T20.3Very low25.1Very low92 Ų92128.8 Ų128.856%0.56472%0.724SS**  trans-141.795.2-175.8-67.30000107.7L753L753-T755 PolarHBondContact O-N 3.44Å
756I22.6Very low24.6Very low138 Ų138128.6 Ų128.671%0.70873%0.727SS**  -137.7132.766-84.5156.1000112.2T758I756-T758 HydrophobicContact CG2-CG2 4.14Å; I756-T758 PolarHBondContact O-N 2.92Å
757S20Very low24.6Very low99 Ų99130.6 Ų130.669%0.69273%0.73SS**  trans-80.492.6166.4-153.10000109.6S759S757-S759 VanDerWaalsContact C-OG 3.3Å; S757-S759 VanDerWaalsContact O-CB 3.26Å; S757-S759 WeakPolarHBondContact O-CB 3.38Å; S757-S759 PolarHBondContact O-OG 3.19Å; S757-S759 WeakPolarHBondContact OG-CB 3.2Å
758T24.6Very low24.2Very low124 Ų124130.7 Ų130.776%0.76173%0.728SS**  trans-121.976.9156.332.40000108.2I756I756-T758 HydrophobicContact CG2-CG2 4.14Å; I756-T758 PolarHBondContact O-N 2.92Å
759S19.7Very low24.3Very low62 Ų62132.7 Ų132.743%0.43474%0.739SS.*  cis52.7117.740110.90000112.3S757S757-S759 VanDerWaalsContact C-OG 3.3Å; S757-S759 VanDerWaalsContact O-CB 3.26Å; S757-S759 WeakPolarHBondContact O-CB 3.38Å; S757-S759 PolarHBondContact O-OG 3.19Å; S757-S759 WeakPolarHBondContact OG-CB 3.2Å
760N23.6Very low24.1Very low143 Ų143130.5 Ų130.577%0.76574%0.737SS**  trans44.184.3158.7-52-39.2000115.8
761S20.8Very low24.4Very low103 Ų103131.2 Ų131.272%0.7273%0.733SS**  -163.314077.329.80000112
762R24.4Very low24.4Very low239 Ų239131.3 Ų131.390%0.90273%0.727SS**  cis74.44632.8-155.8-155.9-174.1-147.34.5114.3
763T24.4Very low24.3Very low113 Ų113128.6 Ų128.669%0.69372%0.719SS**  trans-154.1173.9170.3-4.80000111.6
764L23.2Very low24.6Very low161 Ų161130.5 Ų130.584%0.84372%0.723SS**  trans60.259.5169.6-91.162.1000116.1
765A23Very low24.5Very low79 Ų79127.3 Ų127.365%0.65371%0.705SS**  trans-46.7163.9131.100000112.4
766T22.9Very low24.7Very low121 Ų121132.1 Ų132.174%0.74272%0.715SS**  trans68.3115.5169.670.70000118
767K29Very low24.8Very low199 Ų199133.3 Ų133.387%0.86572%0.715SS**  -159.197.3105.2-103.9158.2-172.41710112.1P769K767-P769 WeakPolarHBondContact O-CD 3.36Å
768T26.4Very low25.1Very low123 Ų123133.5 Ų133.576%0.75571%0.708SS**  trans-62.3132.1164.727.60000111.2V770T768-V770 VanDerWaalsContact C-N 3.34Å; T768-V770 PolarHBondContact O-N 3.13Å
769P31.5Very low25.1Very low124 Ų124134.8 Ų134.881%0.80571%0.705SS**  trans-83.688.9142.231.9-28.3000108.2K767 Y771K767-P769 WeakPolarHBondContact O-CD 3.36Å; P769-Y771 PolarHBondContact O-N 3.47Å; P769-Y771 VanDerWaalsContact O-N 3.1Å
770V25.5Very low25.6Very low113 Ų113139.9 Ų139.969%0.68573%0.726SS**  trans7.595.4133.8-173.30000114.4T768T768-V770 VanDerWaalsContact C-N 3.34Å; T768-V770 PolarHBondContact O-N 3.13Å
771Y31.1Very low25.7Very low212 Ų212137.6 Ų137.683%0.83172%0.719SS**  -120106.4124.3-130.7-107.2000108.9P769P769-Y771 PolarHBondContact O-N 3.47Å; P769-Y771 VanDerWaalsContact O-N 3.1Å
772L26.4Very low25.8Very low83 Ų83137.8 Ų137.844%0.43572%0.716SS.*  trans31.3114.7139.7-69160.8000115.3
773S25.4Very low25.6Very low97 Ų97131.8 Ų131.868%0.67871%0.71SS**  47.8123.280.5-51.90000111.4
774K28Very low25.6Very low164 Ų164134.1 Ų134.171%0.71371%0.714SS**  -148.3144.574-117.994173-170.10113.3
775C22.1Very low25.7Very low84 Ų84130.7 Ų130.757%0.56870%0.699SS**  trans60.899.1135.9-65.90000117.4
776Y23.8Very low25.8Very low194 Ų194134.7 Ų134.776%0.76170%0.704SS**  80.3135.5104.4-74.2-39.2000118
777K25Very low26.2Very low162 Ų162135.6 Ų135.670%0.70471%0.705SS**  trans71.9127.1132.6-67.3178.2175.7-163.60116.5
778N26.2Very low26.1Very low104 Ų104133 Ų13356%0.55670%0.699SS**  cis-157.1163.7-2.1-129.410.9000114.4
779E23.9Very low26.4Very low151 Ų151133.3 Ų133.371%0.70670%0.7SS**  8.3115.4124.7-58.1165.5159.400113.9
780I31Very low26.1Very low169 Ų169137 Ų13787%0.86770%0.704SS**SBendtrans-37123.1154.5-51.1153.3000107.7
781P25.8Very low26.1Very low94 Ų94136.2 Ų136.261%0.6170%0.703SS**  cis-127.4-170.73245.7-30.3000112.1
782T22.2Very low25.8Very low108 Ų108131 Ų13166%0.66370%0.698SS**  -154.5112.378.6-60.70000110.5Q784T782-Q784 HydrophobicContact CG2-CB 4.11Å; T782-Q784 PolarHBondContact O-N 2.9Å
783S21.8Very low25.8Very low112 Ų112133.9 Ų133.978%0.78372%0.719SS**  trans-64.574.1162.142.50000110.4T785S783-T785 PolarHBondContact O-N 3.43Å
784Q23.7Very low26.2Very low163 Ų163134.8 Ų134.876%0.76272%0.72SS**  trans-80.476.8177.5-162.8144.918.500111.7T782T782-Q784 HydrophobicContact CG2-CB 4.11Å; T782-Q784 PolarHBondContact O-N 2.9Å
785T25.5Very low26.1Very low89 Ų89131.8 Ų131.855%0.54672%0.72SS.*  71.999.3127.4-55.70000116.5S783S783-T785 PolarHBondContact O-N 3.43Å
786Q24.2Very low26.4Very low162 Ų162134.6 Ų134.676%0.75773%0.729SS**  46.5108.8125.9-54.8161.72.300116.2
787N31Very low26.4Very low141 Ų141129.5 Ų129.575%0.75472%0.722SS**  -153115.999.2-96.7-42.9000113.4
788I28.6Very low26.3Very low144 Ų144126.6 Ų126.674%0.73871%0.709SS**  trans60.6100.7134.1-58.4171.8000116.7
789V32Very low26.3Very low130 Ų130125.8 Ų125.879%0.78871%0.708SS**  trans64.870.2153.1-165.50000115.7
790K25.3Very low26.3Very low202 Ų202125.1 Ų125.188%0.87870%0.704SS**SBend-92.2110.8121.9-83.9-173.1176.4179.80109.7
791S25.4Very low26Very low96 Ų96120.9 Ų120.967%0.67169%0.689SS**  63.866.4125.2-48.80000118.1T793S791-T793 PolarHBondContact O-N 3.1Å
792S23.7Very low26.1Very low103 Ų103120.8 Ų120.872%0.7269%0.687SS**  trans-72.285.6161.256.80000111.3V794S792-V794 PolarHBondContact O-N 3.47Å
793T28.1Very low26.4Very low143 Ų143120.5 Ų120.588%0.87769%0.685SS**  trans-75.698.4151.3-53.60000105.4S791 S795S791-T793 PolarHBondContact O-N 3.1Å; T793-S795 PolarHBondContact O-N 3.27Å
794V33Very low26.7Very low115 Ų115118.7 Ų118.770%0.69767%0.667SS**  trans-68.6117.9-162176.10000111.5S792 N796S792-V794 PolarHBondContact O-N 3.47Å; V794-N796 PolarHBondContact O-N 3.26Å
795S25.4Very low27.1Very low102 Ų102117.7 Ų117.771%0.71366%0.662SS**  trans-74.696.516556.90000110.3T793T793-S795 PolarHBondContact O-N 3.27Å
796N27.9Very low27.3Very low143 Ų143117.3 Ų117.377%0.76566%0.656SS**  trans-82.3123.5136.7-89.8-17.7000105.7V794V794-N796 PolarHBondContact O-N 3.26Å
797S24.4Very low27.6Very low86 Ų86116 Ų11660%0.60166%0.655SS**  cis67.7116.932.5114.10000112.7
798K23.2Very low27.5Very low102 Ų102116.7 Ų116.744%0.44366%0.659SS.*  trans50.382.2149.1-165.5-173.7132.6144.10116.5S27 C28 N29S27-K798 PolarHBondContact OG-NZ 3.37Å; C28-K798 WeakPolarHBondContact O-CE 3.41Å; C28-K798 PolarHBondContact O-NZ 3.39Å; N29-K798 HydrophobicContact CB-CG 4.37Å; N29-K798 WeakPolarHBondContact ND2-CE 3.27Å; N29-K798 PolarHBondContact ND2-O 2.95Å
799V26.9Very low27.5Very low87 Ų87113.7 Ų113.753%0.52766%0.655SS.*  -128.3131.2118.9-1600000106.2N29 E31N29-V799 HydrophobicContact CB-CB 4.32Å; N29-V799 HydrophobicContact CB-CG1 3.74Å; E31-V799 HydrophobicContact CG-CG1 4.44Å
800H22.3Very low27.5Very low136 Ų136112.9 Ų112.963%0.6365%0.651SS**  trans-94.7-169.8168.2-178.4-83.9000107.9N29 S30 E31N29-H800 CarbonylContact O-C 3.23Å; N29-H800 WeakPolarHBondContact O-CB 3.2Å; N29-H800 PolarHBondContact O-N 3.28Å; S30-H800 CarbonylContact C-O 3.57Å; S30-H800 WeakPolarHBondContact CA-O 3.31Å; E31-H800 PolarHBondContact N-O 2.8Å; E31-H800 VanDerWaalsContact N-O 3.16Å
801C25.6Very low27.6Very low81 Ų81110.2 Ų110.255%0.54764%0.643SS.*SBendtrans-129.4101.5-162.1-56.90000117.1S30 E31S30-C801 VanDerWaalsContact OG-C 3.27Å; E31-C801 CarbonylContact O-C 3.45Å; E31-C801 WeakPolarHBondContact O-CA 3.31Å; E31-C801 WeakPolarHBondContact O-CB 3.33Å
802T27Very low27.7Very low91 Ų91111 Ų11156%0.55864%0.64SS**  trans-166.635166.976.40000119.1S30 E31 I32S30-T802 VanDerWaalsContact CA-N 3.29Å; S30-T802 WeakPolarHBondContact CB-OG1 3.23Å; S30-T802 CarbonylContact O-C 3.51Å; S30-T802 WeakPolarHBondContact OG-CB 3.28Å; S30-T802 PolarHBondContact OG-N 3.3Å; S30-T802 PolarHBondContact OG-OG1 2.9Å; E31-T802 PolarHBondContact O-N 3.4Å; I32-T802 WeakPolarHBondContact CG1-O 3.37Å
803T29.2Very low28.1Very low102 Ų102111.4 Ų111.463%0.62664%0.64SS**SBendtrans-134.7123.7163.3-39.90000113.4S30 E31 I32S30-T803 VanDerWaalsContact C-N 3.35Å; S30-T803 WeakPolarHBondContact O-CB 3.12Å; S30-T803 PolarHBondContact O-N 3.48Å; S30-T803 PolarHBondContact O-OG1 3.35Å; E31-T803 CarbonylContact C-O 3.53Å; E31-T803 VanDerWaalsContact C-O 3.28Å; E31-T803 WeakPolarHBondContact CA-O 3.41Å; I32-T803 VanDerWaalsContact CG1-N 3.28Å; I32-T803 PolarHBondContact N-O 3.02Å
804N28.7Very low28.4Very low75 Ų75110.3 Ų110.340%0.40163%0.633SS.*  trans-75.3166.3-144.6-149.322000120.9I32I32-N804 HydrophobicContact CB-CB 4.12Å; I32-N804 WeakPolarHBondContact CB-OD1 3.39Å; I32-N804 HydrophobicContact CD1-CB 3.88Å; I32-N804 HydrophobicContact CG1-CB 4.1Å; I32-N804 CarbonylContact O-C 2.84Å; I32-N804 VanDerWaalsContact O-C 3.31Å; I32-N804 WeakPolarHBondContact O-CA 3.38Å; I32-N804 PolarHBondContact O-OD1 3.08Å
805E31.7Very low28.4Very low141 Ų141112.1 Ų112.166%0.65964%0.638SS**  trans80.8152156.1-71.3132.7-133.700120.2I32I32-E805 PolarHBondContact O-N 3.28Å
806N29.7Very low28.5Very low81 Ų81117.7 Ų117.743%0.43365%0.65SS.*  cis-172.7163.7-38.8-133.244.5000107.4I33I33-N806 VanDerWaalsContact CG1-OD1 3.3Å; I33-N806 WeakPolarHBondContact CG1-OD1 3.44Å; I33-N806 WeakPolarHBondContact CG2-OD1 3.47Å
807D31.3Very low28.7Very low134 Ų134115.2 Ų115.272%0.71764%0.643SS**  trans46.298.7157.4-44.8-35.8000118.3
808D27.6Very low28.9Very low157 Ų157119.7 Ų119.784%0.8466%0.657SS**  79.9116.677.6-171.829.5000115.1
809A29.5Very low29.2Very low81 Ų81121.3 Ų121.367%0.66967%0.671SS**  trans-179.9129.4148.700000114.3
810T30.8Very low29.2Very low113 Ų113123.7 Ų123.769%0.69368%0.68SS**  trans5698.6147.251.90000122.2
811M28Very low29.5Very low146 Ų146122.1 Ų122.172%0.71968%0.684SS**  38.2119.3110.3-57.3-69.3-175.800120.6
812D28.2Very low29.6Very low112 Ų112124.9 Ų124.960%0.59969%0.69SS**  179119.790.9176.741.4000113T814D812-T814 PolarHBondContact OD1-N 3.4Å; D812-T814 VanDerWaalsContact OD2-CB 3.27Å; D812-T814 WeakPolarHBondContact OD2-CB 3.23Å; D812-T814 VanDerWaalsContact OD2-CG2 3.27Å; D812-T814 WeakPolarHBondContact OD2-CG2 3.19Å; D812-T814 PolarHBondContact OD2-N 3.22Å; D812-T814 PolarHBondContact OD2-OG1 3.07Å
813P31.1Very low29.6Very low111 Ų111129.6 Ų129.672%0.72170%0.703SS**  trans-96.371.2168.137.2-31.7000112.4L815P813-L815 PolarHBondContact O-N 2.76Å; P813-L815 VanDerWaalsContact O-N 3.09Å
814T34Very low29.5Very low120 Ų120130.5 Ų130.574%0.73671%0.709SS**  trans-62114.1-178.23.10000112.9D812 K816D812-T814 PolarHBondContact OD1-N 3.4Å; D812-T814 VanDerWaalsContact OD2-CB 3.27Å; D812-T814 WeakPolarHBondContact OD2-CB 3.23Å; D812-T814 VanDerWaalsContact OD2-CG2 3.27Å; D812-T814 WeakPolarHBondContact OD2-CG2 3.19Å; D812-T814 PolarHBondContact OD2-N 3.22Å; D812-T814 PolarHBondContact OD2-OG1 3.07Å; T814-K816 PolarHBondContact O-N 3.41Å
815L33.2Very low29.3Very low154 Ų154131.9 Ų131.981%0.80672%0.724SS**  trans-67126.3-171.6-79166000114P813 S817P813-L815 PolarHBondContact O-N 2.76Å; P813-L815 VanDerWaalsContact O-N 3.09Å; L815-S817 PolarHBondContact O-N 2.9Å
816K28.9Very low29.1Very low219 Ų219131.7 Ų131.795%0.95273%0.732SS**  trans-78.860.5173.8-164.4176.2-177172.40112.6T814T814-K816 PolarHBondContact O-N 3.41Å
817S32.1Very low29Very low90 Ų90133.4 Ų133.463%0.62975%0.751SS**  trans-127.498.7177.761.40000113.4L815L815-S817 PolarHBondContact O-N 2.9Å
818M27.8Very low28.5Very low181 Ų181133.6 Ų133.689%0.89276%0.757SS**  trans38.796.6149.3-152.9171.7-60.400117.7L820M818-L820 PolarHBondContact O-N 3.02Å; M818-L820 VanDerWaalsContact O-N 3.08Å
819N29.9Very low28.6Very low136 Ų136132.5 Ų132.573%0.72776%0.756SS**  trans-52.1112.2166.1179-18000110.9S821N819-S821 WeakPolarHBondContact OD1-CB 3.25Å; N819-S821 PolarHBondContact OD1-N 2.72Å; N819-S821 PolarHBondContact OD1-OG 3.45Å
820L26.3Very low28.5Very low137 Ų137134 Ų13472%0.71776%0.761SS**  trans-123.772163.6-165.276.6000109.4M818 M822M818-L820 PolarHBondContact O-N 3.02Å; M818-L820 VanDerWaalsContact O-N 3.08Å; L820-M822 HydrophobicContact CD2-CE 4.26Å; L820-M822 HydrophobicContact CG-CG 4.49Å; L820-M822 PolarHBondContact O-N 3.03Å
821S29.6Very low28.3Very low102 Ų102137 Ų13771%0.71377%0.772SS**  trans-59.797.8173.526.70000111.3N819N819-S821 WeakPolarHBondContact OD1-CB 3.25Å; N819-S821 PolarHBondContact OD1-N 2.72Å; N819-S821 PolarHBondContact OD1-OG 3.45Å
822M27Very low28.3Very low139 Ų139134.7 Ų134.769%0.68578%0.776SS**  trans-132.869.7169.3-70.7-158-52.700110.7L820L820-M822 HydrophobicContact CD2-CE 4.26Å; L820-M822 HydrophobicContact CG-CG 4.49Å; L820-M822 PolarHBondContact O-N 3.03Å
823F27.9Very low28.5Very low191 Ų191135.6 Ų135.684%0.83879%0.788SS**  trans-149.2148.1169.3-106-65.5000114.2
824V26.6Very low28.5Very low121 Ų121135.5 Ų135.573%0.73379%0.79SS**  trans64.386.1168.8-166.90000117.2
825S25.2Very low28.3Very low103 Ų103138.5 Ų138.572%0.7280%0.796SS**  40.5128.5111.8-47.30000121.4
826T26.7Very low28.1Very low137 Ų137137.7 Ų137.784%0.8480%0.798SS**  trans-10.3128.8148.650.40000118.2
827S26.4Very low28.1Very low117 Ų117130.6 Ų130.682%0.81879%0.786SS**PPolyproline II helixtrans-59.8148.5179.1-31.80000115.2
828V22.4Very low27.9Very low139 Ų139131.7 Ų131.784%0.84279%0.79SS**PPolyproline II helixtrans-87132.8158.4-179.40000108.5
829T29.1Very low27.9Very low134 Ų134133.8 Ų133.882%0.82279%0.789SS**PPolyproline II helixtrans-97.9116.1173.846.30000111.3
830S26.8Very low27.9Very low112 Ų112133.2 Ų133.278%0.78379%0.79SS**  trans-123.8130.4160.546.30000108.9
831L26.7Very low28Very low176 Ų176134.4 Ų134.492%0.92180%0.796SS**  trans-132132.2176-86166.9000108.2
832A28.9Very low28.3Very low97 Ų97135.6 Ų135.680%0.80279%0.794SS**  trans-117.8137.2178.800000110.2
833P33Very low28.8Very low131 Ų131132.5 Ų132.585%0.85180%0.798SS**  trans-87.9153.5174.7-9.328.2000113.9
834S29.5Very low29Very low110 Ų110126.6 Ų126.677%0.76979%0.791SS**  trans-75.8159.2-176.2176.50000115.2
835Q31.1Very low29.6Very low182 Ų182128.9 Ų128.985%0.8580%0.799SS**  trans-124.4121.4154.5-58.7179.626.200106
836T28.5Very low30Very low138 Ų138127.4 Ų127.485%0.84780%0.8SS**  76.9109.181.7-55.50000114.1
837G29.4Very low30.8Very low69 Ų69128.9 Ų128.971%0.71180%0.801SS**  trans-166156.5175.100000110.9
838T28.1Very low31.3Very low114 Ų114128.8 Ų128.870%0.69979%0.791SS**  trans-161.2109.7-161.6-650000114.9
839Y25.9Very low32.4Very low224 Ų224129.5 Ų129.588%0.87879%0.791SS**  trans58.6171.4171.1-53.6-62.3000115.3
840V30.6Very low33Very low124 Ų124130.2 Ų130.275%0.75279%0.79SS**  cis-154.4136.434.5165.50000113
841I29.7Very low33.5Very low163 Ų163131.3 Ų131.384%0.83679%0.787SS**  trans43.8127.4149-60.9172.7000122.5
842D34.2Very low34.1Very low126 Ų126129.4 Ų129.467%0.67478%0.777SS**  trans-80.6147164.7165.936.7000112.5K1655D842-K1655 IonicContact OD2-NZ 2.68Å; D842-K1655 PolarHBondContact OD2-NZ 2.94Å
843G37.3Very low34.8Very low74 Ų74132.1 Ų132.176%0.76378%0.778SS**  trans160.8126.216900000117
844G33.4Very low35.1Very low68 Ų68132.5 Ų132.570%0.70177%0.773SS**  trans113.394.7-178.600000110.9
845D37.9Very low35.4Very low168 Ų168133.5 Ų133.590%0.89877%0.77SS**  cis43.111249.5-74.9-13000111.6
846G35.4Very low35.5Very low72 Ų72133 Ų13374%0.74277%0.773SS**  cis117.3102.29.300000109.5
847I42.3Very low35.6Very low169 Ų169132 Ų13287%0.86776%0.763SS**  trans-141.8118.5-177.7-44.3177.3000108.4
848D37.7Very low35.8Very low114 Ų114133.2 Ų133.261%0.6176%0.756SS**  trans-142.9108.8173.5-178.649.6000103.9K1372D848-K1372 IonicContact OD1-NZ 2.87Å; D848-K1372 PolarHBondContact OD1-NZ 3.35Å; D848-K1372 IonicContact OD2-NZ 3.49Å; D848-K1372 PolarHBondContact OD2-NZ 3.27Å
849D45Very low35.8Very low155 Ų155134.2 Ų134.283%0.82976%0.757SS**  trans-152.8152.1179.5-139.6-19.3000110.4
850D42Very low35.9Very low149 Ų149130.6 Ų130.680%0.79775%0.748SS**  trans-94.8176-156.9-87.6-52.8000116
851N36.1Very low35.9Very low135 Ų135129.7 Ų129.772%0.72274%0.739SS**  trans-67.1146.7-166.8-98.840.5000118.5
852D40.9Very low36Very low135 Ų135130.1 Ų130.172%0.72274%0.736SS**  trans70.4149.3139-60.9-31.9000123.8
853D43.4Very low35.9Very low154 Ų154130.3 Ų130.382%0.82474%0.736SS**  trans64.567.7160.1-73.1-14.9000121.4
854N38Very low35.5Very low139 Ų139133.2 Ų133.274%0.74373%0.729SS**  54.795.8115.6-17140.1000119.8
855N36.8Very low35.4Very low131 Ų131137.9 Ų137.970%0.70173%0.733SS**  trans6297.3134.9-169.15.1000118.8
856N32.2Very low35.1Very low171 Ų171135.5 Ų135.591%0.91473%0.729SS**  trans-123.8144.3149.8-160.4-1.4000109.1
857N32Very low35Very low119 Ų119138.9 Ų138.964%0.63673%0.731SS**  trans-113.1163.2-150.2-174.425.2000114.8
858T33.1Very low34.8Very low93 Ų93139 Ų13957%0.57173%0.728SS**  trans92.1129.6146.77.70000120.7
859N28Very low34.8Very low135 Ų135141.3 Ų141.372%0.72274%0.735SS**  trans75.2145.1152.8-60.1-30.1000118
860Q28.7Very low34Very low148 Ų148140.5 Ų140.569%0.69273%0.73SS**  cis-165.5175.7-8.1-110-72.216.200109.9
861D30.2Very low33.4Very low106 Ų106140.3 Ų140.357%0.56773%0.728SS**  trans78.4139.9151.6-63.7-45.1000123.2
862F32.1Very low33.1Very low172 Ų172142 Ų14275%0.75473%0.731SS**  trans78108.6169.2-51-63.3000117.4
863L30.9Very low32.6Very low129 Ų129142.7 Ų142.768%0.67573%0.734SS**  cis65.9143.142-43.4163.6000111.8
864Q29Very low31.8Very low135 Ų135143.2 Ų143.263%0.63173%0.725SS**  cis-165.1153.423.1-157.4125.717.100113.5
865H31.3Very low31.6Very low166 Ų166145.7 Ų145.777%0.76973%0.73SS**  trans18.6138.3159.2-48.9-37.9000123.8
866S32Very low31.3Very low119 Ų119144.2 Ų144.283%0.83272%0.722SS**  -176152.6107.1-730000112.6
867D32.5Very low31.4Very low143 Ų143144 Ų14477%0.76572%0.721SS**  trans-109.7-173-171.8-61.2-87.4000114
868E38.3Very low31.4Very low172 Ų172145.2 Ų145.280%0.80473%0.727SS**  trans74.3142162.9-71.6-167.5-140.900118.2
869Q37.5Very low31.2Very low162 Ų162148 Ų14876%0.75774%0.737SS**  cis-143.1146.1-5.8-54.9-169-6.600108.2
870N30Very low31.4Very low138 Ų138148 Ų14874%0.73874%0.736SS**  65.290.872.3-155.319.1000119.6
871I29.1Very low31.4Very low145 Ų145147.5 Ų147.574%0.74474%0.743SS**  trans30.9121.9143.6-51.1173.9000121.6
872H28.7Very low31.4Very low170 Ų170147.4 Ų147.479%0.78775%0.749SS**  trans-178.4148134.8-102.7-69.2000108.6
873L31.4Very low31.4Very low150 Ų150150.7 Ų150.779%0.78576%0.756SS**  cis-129166.1-6.6-56.888.5000107.4
874Y25.3Very low31.4Very low164 Ų164147.2 Ų147.264%0.64375%0.751SS**  cis80.593.219.3-166.7-100.9000118.8D876Y874-D876 PolarHBondContact OH-OD2 3.18Å
875K34.7Very low31.6Very low192 Ų192145.7 Ų145.784%0.83576%0.755SS**  trans-169.1152.2136.9-111.5-175.2-176.7-169.40114.5
876D30Very low32Very low100 Ų100143.8 Ų143.854%0.53576%0.757SS.*  trans-99173-167-26.6-101000113.7Y874Y874-D876 PolarHBondContact OH-OD2 3.18Å
877N34.7Very low32Very low167 Ų167147.8 Ų147.889%0.89376%0.76SS**  trans-175.6133.1137.9-93.8-57.8000111.7
878D31.9Very low31.9Very low144 Ų144152.1 Ų152.177%0.7777%0.766SS**  trans-77172.6175.6-49.1-91.2000113.8
879L29.1Very low31.3Very low151 Ų151151.1 Ų151.179%0.79177%0.766SS**  -172.9123.8116.4-118.458.5000116.1
880I31.8Very low30.9Very low135 Ų135151.8 Ų151.869%0.69277%0.773SS**  trans73.8120.4144-68.3161.3000121.4
881T28.9Very low30.8Very low138 Ų138150.8 Ų150.885%0.84777%0.772SS**  trans-113142.4138.9-48.30000108
882P29.4Very low30.7Very low104 Ų104148.2 Ų148.268%0.67577%0.772SS**  trans-93.3120.3-160.933-35.5000117.8
883R32.3Very low30.6Very low241 Ų241148.8 Ų148.891%0.90978%0.775SS**  trans64.5131141.1-79.2-176163.6146.5-0.3122.9
884G30.9Very low30.4Very low55 Ų55145 Ų14557%0.56777%0.773SS**  trans-131.5-178.3149.900000111.7
885S34.8Very low30.6Very low103 Ų103145.5 Ų145.572%0.7278%0.781SS**  trans-126.4176-171.3-62.70000112.4
886P38.5Very low30.5Very low126 Ų126142.6 Ų142.682%0.81877%0.773SS**  trans-93.6160.6-133.537-40.8000117.4
887K31.8Very low30.4Very low203 Ų203145.5 Ų145.588%0.88379%0.788SS**  trans-156.9131160.4-150.3171.3-173.7171.10113.9
888R30.2Very low29.9Very low235 Ų235143.1 Ų143.189%0.88778%0.776SS**  trans73.7115.4155-150.2175.7-154.8158.15.9119.7
889D26.3Very low29.8Very low151 Ų151146.8 Ų146.881%0.80778%0.778SS**  trans-89.7148.5172.5-34.8-102.8000112.6
890I29.2Very low29.5Very low176 Ų176150 Ų15090%0.90378%0.78SS**  trans-140.1142.4133.4-66.2-167.3000107.6
891T27.7Very low29.2Very low116 Ų116148.4 Ų148.471%0.71278%0.781SS**  trans-77.4161.3-169.7-35.70000114.9
892A27.5Very low29.3Very low91 Ų91147.3 Ų147.375%0.75277%0.774SS**  trans111.4140.5135.800000118.9
893E25.9Very low29.1Very low183 Ų183149.7 Ų149.786%0.85578%0.781SS**  cis-160.4159.3-25.7-106.1-147.316300109.2
894G27.8Very low28.9Very low71 Ų71146.5 Ų146.573%0.73278%0.776SS**  trans80.9155.4164.700000116.7
895E28.8Very low28.7Very low173 Ų173150 Ų15081%0.80878%0.782SS**  cis-158.4168.4-19.1-145-171-156.200110.3
896L33.8Very low28.3Very low131 Ų131149.6 Ų149.669%0.68678%0.779SS**  trans59.799.9169.4-53.9175.5000115.4
897L26.9Very low27.7Very low161 Ų161150 Ų15084%0.84377%0.774SS**  53.8144.970.8-62.2169.8000115.8
898N24Very low27.3Very low118 Ų118146.6 Ų146.663%0.63177%0.765SS**  trans83.283.6142.3-158.615.3000118.9
899R30.2Very low27.2Very low220 Ų220143.4 Ų143.483%0.8376%0.761SS**  -179.9124.3109.5-86.9141.2-157-146.14108.5
900R22.7Very low27.3Very low218 Ų218141.2 Ų141.282%0.82375%0.745SS**  71100.460.8-172178.8179.6169.51.1112.8
901S25.3Very low27.2Very low103 Ų103136.3 Ų136.372%0.7272%0.724SS**  trans59.1100.1147.9-51.90000119.1
902T31.3Very low27.5Very low114 Ų114136.7 Ų136.770%0.69972%0.716SS**  trans-141.892142.7-160000112H904T902-H904 VanDerWaalsContact C-N 3.28Å; T902-H904 WeakPolarHBondContact CG2-CD2 3.26Å; T902-H904 PolarHBondContact O-N 3.27Å
903N24.5Very low27.3Very low154 Ų154139.5 Ų139.582%0.82471%0.713SS**  trans-74.883.1161.5-83.4-14.2000108.8L905N903-L905 HydrophobicContact CB-CD1 4.18Å; N903-L905 PolarHBondContact O-N 3.35Å
904H28.4Very low27.3Very low174 Ų174135.9 Ų135.981%0.80670%0.699SS**  trans-77.878.8163.5-91.5-64.8000110.1T902T902-H904 VanDerWaalsContact C-N 3.28Å; T902-H904 WeakPolarHBondContact CG2-CD2 3.26Å; T902-H904 PolarHBondContact O-N 3.27Å
905L26.9Very low27.5Very low130 Ų130134 Ų13468%0.68167%0.674SS**  trans-66.4163.4154.4-93.473.3000109.9N903N903-L905 HydrophobicContact CB-CD1 4.18Å; N903-L905 PolarHBondContact O-N 3.35Å
906S26Very low27.3Very low94 Ų94131.4 Ų131.466%0.65766%0.662SS**  trans74.9154.9160.385.90000116.1
907N26.2Very low27.1Very low134 Ų134133.7 Ų133.772%0.71767%0.667SS**  cis-122.4152.33.3-82.7-71.1000111
908N24.1Very low27.2Very low131 Ų131132 Ų13270%0.70165%0.654SS**  cis64.865.544.9-84-35.2000115.2
909Q27.7Very low27.5Very low168 Ų168133.8 Ų133.879%0.78566%0.657SS**  trans-126.7137.2138.4-60.6-171.719.200107.1
910Q28.8Very low27.7Very low105 Ų105127.4 Ų127.449%0.49164%0.639SS.*  cis-145.2159.86-145.1174.219.600111.1S337S337-Q910 VanDerWaalsContact CA-O 3.28Å; S337-Q910 WeakPolarHBondContact CA-O 3.33Å
911T27.3Very low28.1Very low74 Ų74119.7 Ų119.745%0.45461%0.612SS.*  trans-114139.2176.4360000111.3K338 F339K338-T911 HydrophobicContact CD-CG2 3.7Å; K338-T911 HydrophobicContact CG-CG2 4.25Å; F339-T911 HydrophobicContact CD2-CG2 4.04Å; F339-T911 HydrophobicContact CE2-CG2 3.58Å; F339-T911 HydrophobicContact CZ-CG2 4.41Å
912K33.2Very low28.3Very low124 Ų124120.2 Ų120.254%0.53960%0.603SS.*  trans-127.1100.7169-100.4-173-172.1159.10106.4N336 S337 K338 F339 L914N336-K912 VanDerWaalsContact OD1-CE 3.26Å; N336-K912 WeakPolarHBondContact OD1-CE 3.5Å; N336-K912 PolarHBondContact OD1-NZ 3.08Å; S337-K912 VanDerWaalsContact OG-CB 3.27Å; S337-K912 WeakPolarHBondContact OG-CB 3.38Å; S337-K912 WeakPolarHBondContact OG-CD 3.18Å; S337-K912 WeakPolarHBondContact OG-CG 3.32Å; K338-K912 CarbonylContact C-O 3.06Å; K338-K912 VanDerWaalsContact C-O 3.28Å; K338-K912 CarbonylContact O-C 3.5Å; K338-K912 VanDerWaalsContact O-C 3.29Å; K338-K912 PolarHBondContact O-N 2.82Å; F339-K912 WeakPolarHBondContact CB-O 3.47Å; F339-K912 PolarHBondContact N-O 2.93Å; K912-L914 PolarHBondContact O-N 3.04Å
913Q25Very low28.2Very low149 Ų149122.2 Ų122.270%0.69661%0.609SS**  trans-58.2100176.7-71.3163.3-14.500110.1F339F339-Q913 HydrophobicContact CD2-CB 4.28Å; F339-Q913 HydrophobicContact CD2-CG 3.7Å; F339-Q913 HydrophobicContact CE2-CG 3.54Å; F339-Q913 HydrophobicContact CZ-CG 4.24Å
914L24.8Very low28.5Very low107 Ų107118.2 Ų118.256%0.5659%0.593SS**  -89.3169.6122.6-105.343.3000109.3F339 T341 K912F339-L914 WeakPolarHBondContact CB-O 3.45Å; T341-L914 VanDerWaalsContact N-C 3.3Å; T341-L914 PolarHBondContact OG1-O 3.31Å; K912-L914 PolarHBondContact O-N 3.04Å
915P31.4Very low28.4Very low31 Ų31117 Ų11720%0.20159%0.59CS.*  trans-71.6-137.3-178-1.63000123.8S340 T341 T342S340-P915 CarbonylContact C-O 3.29Å; S340-P915 CarbonylContact O-C 3.53Å; T341-P915 HydrophobicContact CG2-CB 2.7Å; T341-P915 HydrophobicContact CG2-CG 3.04Å; T341-P915 VanDerWaalsContact O-CD 3.25Å; T341-P915 WeakPolarHBondContact O-CD 3.32Å; T341-P915 WeakPolarHBondContact O-CG 3.45Å; T341-P915 WeakPolarHBondContact OG1-CA 3.49Å; T341-P915 WeakPolarHBondContact OG1-CB 3.43Å; T341-P915 VanDerWaalsContact OG1-CD 3.25Å; T341-P915 WeakPolarHBondContact OG1-CD 3.33Å; T342-P915 WeakPolarHBondContact O-CB 3.2Å; T342-P915 WeakPolarHBondContact O-CG 3.35Å; T342-P915 WeakPolarHBondContact OG1-CB 3.09Å
916Q24.9Very low28.3Very low119 Ų119118.8 Ų118.856%0.55660%0.599SS**  trans-98.7172.3163.2-61.3140.8-101.300112.3S340 T341 T342 E918S340-Q916 CarbonylContact O-C 3.56Å; S340-Q916 WeakPolarHBondContact O-CA 3.41Å; S340-Q916 PolarHBondContact O-N 3.05Å; S340-Q916 VanDerWaalsContact O-O 3.11Å; T341-Q916 CarbonylContact C-O 3.46Å; T341-Q916 VanDerWaalsContact C-O 3.31Å; T342-Q916 PolarHBondContact N-O 3.48Å; T342-Q916 PolarHBondContact OG1-O 2.96Å; T342-Q916 VanDerWaalsContact OG1-O 3.11Å; Q916-E918 PolarHBondContact NE2-OE2 3.44Å
917F30.7Very low29Very low180 Ų180119 Ų11979%0.78960%0.598SS**  trans-142.8146.7136.7-127.4-65.8000107.6T342T342-F917 HydrophobicContact CG2-CB 4.22Å; T342-F917 HydrophobicContact CG2-CD1 3.44Å; T342-F917 VanDerWaalsContact CG2-CD1 3.44Å; T342-F917 HydrophobicContact CG2-CD2 3.43Å; T342-F917 VanDerWaalsContact CG2-CD2 3.43Å; T342-F917 HydrophobicContact CG2-CE1 3.49Å; T342-F917 VanDerWaalsContact CG2-CE1 3.49Å; T342-F917 HydrophobicContact CG2-CE2 3.49Å; T342-F917 VanDerWaalsContact CG2-CE2 3.49Å; T342-F917 HydrophobicContact CG2-CG 3.41Å; T342-F917 VanDerWaalsContact CG2-CG 3.41Å; T342-F917 HydrophobicContact CG2-CZ 3.53Å
918E27.4Very low29.3Very low124 Ų124118.9 Ų118.958%0.57960%0.602SS**  trans-126.7114.4-150.6-173.3174.4122.700111.5Q916Q916-E918 PolarHBondContact NE2-OE2 3.44Å
919K31.5Very low29.3Very low157 Ų157121.4 Ų121.468%0.68361%0.609SS**  trans-175.8152.9163.4-117.1-174.7172.8-147.30113.7
920D33.4Very low29.1Very low85 Ų85121.3 Ų121.346%0.45561%0.608SS.*  trans83.3103.9148.4-60.8-18.3000121
921F31.8Very low28.9Very low57 Ų57121.7 Ų121.725%0.2562%0.618CS.*  trans77.5135.4141.8-76.7-97.7000121.5H1710 R1711F921-H1710 AromaticContact CD1-ND1 3.48Å; F921-H1710 WeakPolarHBondContact CD1-ND1 3.44Å; F921-H1710 AromaticContact CD2-ND1 3.81Å; F921-H1710 HydrophobicContact CE1-CB 4.35Å; F921-H1710 AromaticContact CE1-ND1 3.75Å; F921-H1710 HydrophobicContact CE2-CB 3.98Å; F921-H1710 AromaticContact CG-ND1 3.65Å; F921-H1710 HydrophobicContact CZ-CB 4Å; F921-R1711 VanDerWaalsContact CE2-O 3.26Å; F921-R1711 WeakPolarHBondContact CE2-O 3.27Å; F921-R1711 HydrophobicContact CZ-CB 3.96Å; F921-R1711 WeakPolarHBondContact CZ-O 3.02Å
922E29.8Very low28.9Very low114 Ų114127.2 Ų127.253%0.53364%0.638SS.*  cis-155134.1-14.6-155.2172.9-16800111L1713E922-L1713 HydrophobicContact CB-CD1 4.38Å; E922-L1713 HydrophobicContact CG-CD1 3.43Å; E922-L1713 VanDerWaalsContact CG-CD1 3.43Å; E922-L1713 HydrophobicContact CG-CG 4.15Å
923N29.5Very low28.6Very low156 Ų156126.4 Ų126.483%0.83464%0.644SS**  trans-153.166.9173-1435.8000113
924S30.6Very low28.6Very low69 Ų69126.3 Ų126.348%0.48365%0.648SS.*  trans-169.2160.1173.4106.60000110.4L1713S924-L1713 VanDerWaalsContact CB-CD1 3.49Å; S924-L1713 WeakPolarHBondContact OG-CD1 3.39Å
925M25.8Very low28.7Very low150 Ų150127.2 Ų127.274%0.73966%0.657SS**  cis-176.6138.2-19167.5175.670.300108.5
926L24.6Very low28.4Very low166 Ų166129.3 Ų129.387%0.86968%0.678SS**SBendtrans-131.3160.4141.8-83-173.9000107.7
927P40.2Very low28.4Very low100 Ų100131.6 Ų131.665%0.64969%0.688SS**  trans-86.3177.9-143.338.6-41.3000113.5
928V33.5Very low28.6Very low130 Ų130130.4 Ų130.479%0.78869%0.685SS**  cis-150.1136.728.3-168.20000113.4
929E23.6Very low28.6Very low185 Ų185131.4 Ų131.486%0.86469%0.689SS**  trans-145.6158.4149.6-88.3-161174.400108.2
930H23.5Very low28.4Very low165 Ų165134.4 Ų134.476%0.76470%0.698SS**  cis-155.7139.9-34.4-170.8-78.8000106.6
931V23.8Very low28.4Very low113 Ų113135.4 Ų135.469%0.68571%0.712SS**  trans-82119.6173.6172.90000108.9T933V931-T933 PolarHBondContact O-N 3.34Å
932Q28.3Very low28.4Very low190 Ų190135.3 Ų135.389%0.88873%0.726SS**  trans-84.297.5168-169173.565.200110.2
933T25.8Very low28.4Very low107 Ų107138.4 Ų138.466%0.65675%0.747SS**  trans-134.8104.9158.9-57.10000108.5V931V931-T933 PolarHBondContact O-N 3.34Å
934L25.1Very low28.5Very low148 Ų148139.5 Ų139.578%0.77574%0.744SS**  trans39.4127.2152.5-68164.2000120.5
935T27.5Very low28.5Very low125 Ų125147 Ų14777%0.76776%0.762SS**  trans76.696.4136.3-54.30000119.7
936A24.7Very low28.7Very low76 Ų76145.7 Ų145.763%0.62876%0.757SS**  65.9125.5125.600000123.6
937H25.6Very low28.8Very low166 Ų166145.3 Ų145.377%0.76976%0.756SS**  trans85.1154.6134.8-84.5-123.4000122.2
938H34.7Very low28.4Very low156 Ų156146 Ų14672%0.72275%0.754SS**  trans72.3143.8-179.1-54.4-74.9000115.8
939Q26.5Very low28.1Very low144 Ų144144.3 Ų144.367%0.67375%0.748SS**  cis149.4157.7-17-101.4178.7-34.400106.1
940Y28.1Very low28.1Very low220 Ų220142.6 Ų142.686%0.86374%0.743SS**  trans66.7157-178.5-59.3-89.5000114.3
941S33.2Very low28.2Very low107 Ų107138.6 Ų138.675%0.74873%0.734SS**  cis-167144.4-24.8174.20000105.4
942G32.2Very low28.2Very low54 Ų54140 Ų14056%0.55774%0.743SS**  cis141.186.59.700000109K944G942-K944 PolarHBondContact O-N 2.89Å
943N28.7Very low28.3Very low179 Ų179136.1 Ų136.196%0.95773%0.732SS**  trans-71.1114.7177.6-79.58.2000110.2
944K33Very low28.3Very low180 Ų180137.5 Ų137.578%0.78374%0.736SS**  trans-115.5147.7171.7-70.7177.2178.1172.90108.7G942G942-K944 PolarHBondContact O-N 2.89Å
945R29.2Very low28.4Very low226 Ų226138.5 Ų138.585%0.85374%0.74SS**  trans69.3135.7154.3-76.8176.4177.5-173.3-4.7115.5
946L32Very low28.2Very low123 Ų123138 Ų13864%0.64474%0.738SS**  cis-137.9149.9-3.4-91.5154.7000109.9D948L946-D948 WeakPolarHBondContact CD2-OD2 3.48Å
947N26Very low28.2Very low157 Ų157141.1 Ų141.184%0.8474%0.737SS**  trans-100.3115.3141.9-92.4-11.9000105.5
948D30.7Very low28.2Very low115 Ų115138.7 Ų138.762%0.61573%0.734SS**  trans-115.8132.5151.8-76.5-52.7000105.8L946L946-D948 WeakPolarHBondContact CD2-OD2 3.48Å
949S27.6Very low27.7Very low94 Ų94137.6 Ų137.666%0.65774%0.741SS**  65.1127.953.3-50.70000110.8
950I24.8Very low27.6Very low149 Ų149135.4 Ų135.476%0.76474%0.742SS**  cis-166.5156.5-15.6-127160.9000106.2
951S23.9Very low27.5Very low81 Ų81131.9 Ų131.957%0.56674%0.737SS**  trans33127.3164.265.90000121.1V953S951-V953 PolarHBondContact O-N 3.06Å
952T24Very low27.5Very low144 Ų144135.9 Ų135.988%0.88375%0.745SS**  trans-48.4123.5139.7-180000110.1
953V30.1Very low27.2Very low108 Ų108139.2 Ų139.266%0.65574%0.743SS**  trans-136127.4160.8174.60000106.5S951 L955S951-V953 PolarHBondContact O-N 3.06Å; V953-L955 PolarHBondContact O-N 3.45Å
954D26.6Very low27.5Very low136 Ų136135.3 Ų135.373%0.72773%0.728SS**  trans-65.3103.6179.8-67.5-70.4000111.7T956D954-T956 PolarHBondContact O-N 3.46Å
955L26.6Very low27.3Very low168 Ų168135 Ų13588%0.8873%0.734SS**  trans-89.668.2159.7-73.3178.7000109.8V953 K957V953-L955 PolarHBondContact O-N 3.45Å; L955-K957 PolarHBondContact O-N 3.04Å
956T25Very low26.9Very low116 Ų116129 Ų12971%0.71273%0.726SS**  trans-64.9112.9156.746.30000108.7D954D954-T956 PolarHBondContact O-N 3.46Å
957K23.7Very low27Very low140 Ų140131.4 Ų131.461%0.60974%0.738SS**  trans-170.6131.5137.2-106.5153.3-174.51700114.5L955L955-K957 PolarHBondContact O-N 3.04Å
958T25Very low26.9Very low116 Ų116129.3 Ų129.371%0.71273%0.731SS**  trans56110.5147.2530000118.9
959P26Very low26.6Very low132 Ų132129 Ų12986%0.85774%0.737SS**  trans-65.5148.6146.732.4-34.3000109.8
960S24.2Very low26.5Very low99 Ų99130 Ų13069%0.69274%0.744SS**  trans-147.1126.2166.6590000109
961N26.3Very low26.7Very low145 Ų145129.8 Ų129.878%0.77575%0.75SS**  trans32.6118.2154.1-53.7-1.5000116.9
962E31.3Very low26.8Very low192 Ų192132.2 Ų132.290%0.89776%0.761SS**  -15716468.3-107.7138.4-141.300113.7
963K27.3Very low26.9Very low123 Ų123131.2 Ų131.254%0.53576%0.759SS.*  trans-99.6172.9175.1-111.2-177179.1175.70109.9D1052K963-D1052 IonicContact NZ-OD2 3.16Å; K963-D1052 PolarHBondContact NZ-OD2 3.42Å
964P35Very low26.6Very low98 Ų98134 Ų13464%0.63677%0.769SS**  trans-84.4169.2-149.634.8-39.9000115.6
965L27.2Very low26.8Very low172 Ų172133.6 Ų133.690%0.90177%0.772SS**  trans-135.8140.5154.9-167.365.1000110.5
966C22.1Very low26.9Very low102 Ų102134.2 Ų134.269%0.68977%0.77SS**  trans-85.4152.2-174.4-54.80000112.6
967I32.8Very low27.3Very low173 Ų173134.9 Ų134.989%0.88777%0.774SS**  trans-126.9121.9152.1-62.9-177.8000107.7
968T24.5Very low27.6Very low113 Ų113135.4 Ų135.469%0.69378%0.778SS**  trans-103.1170.4-179.5-43.80000109.8
969S24.9Very low28.1Very low108 Ų108137.8 Ų137.876%0.75579%0.787SS**  trans79.2123.4159.7-55.30000117.7
970S25.3Very low28.2Very low115 Ų115138.3 Ų138.380%0.80478%0.782SS**  trans-76.6149.8161.747.70000111.2
971T29.4Very low28.7Very low144 Ų144143.7 Ų143.788%0.88379%0.793SS**  trans-158.4154.7150-7.60000110.3
972V24.8Very low28.6Very low133 Ų133144.8 Ų144.881%0.80680%0.798SS**  trans-105.2134.9-174179.90000110.1
973C26.9Very low28.6Very low122 Ų122144.1 Ų144.182%0.82480%0.795SS**  trans-148.5135.2158.1-93.70000110.4
974L24.7Very low28.9Very low168 Ų168145.6 Ų145.688%0.8881%0.809SS**  trans-95.8138.2165.9-66.7168.9000108.2
975T29.6Very low28.5Very low127 Ų127145.3 Ų145.378%0.77981%0.809SS**  trans-124.992.7171.833.90000111.1T977T975-T977 PolarHBondContact O-N 3.44Å
976E28.8Very low28.7Very low181 Ų181145.6 Ų145.685%0.84680%0.803SS**  trans-57.4130.8162.8-174.7179.1172.500109.5
977T33.3Very low29.1Very low129 Ų129148 Ų14879%0.79181%0.81SS**  trans-118124.7178.4-59.30000109.4T975T975-T977 PolarHBondContact O-N 3.44Å
978H30.4Very low28.9Very low151 Ų151149.2 Ų149.270%0.69981%0.808SS**  trans-67141-176.3-54.8-71.3000112.7
979D35.1Very low29.1Very low166 Ų166153.1 Ų153.189%0.88882%0.815SS**  trans-137.7110.5151.1-141.6-20.5000110.1
980N27.9Very low29.2Very low143 Ų143155.4 Ų155.477%0.76582%0.819SS**  trans-95109.4-170.6-86.7-64.9000110.9
981K34.4Very low29.5Very low212 Ų212156.4 Ų156.492%0.92282%0.82SS**  trans-137.988.6166.8-144.5171.5-170.9176.60114
982L25.7Very low29.3Very low168 Ų168157.7 Ų157.788%0.8882%0.821SS**  trans-86.6112.3178.4179.5145.6000111.2
983Q30.8Very low29.3Very low179 Ų179155.2 Ų155.284%0.83681%0.809SS**  trans-163.2157.9157.4-123.6161.359.600113.6
984D32.9Very low29.4Very low153 Ų153157.2 Ų157.282%0.81881%0.806SS**  trans54.285.8170.8-73.67.2000120.6
985S26.8Very low29.5Very low93 Ų93156.3 Ų156.365%0.6580%0.801SS**  trans-57.6164.5155.667.10000114.8
986K31.9Very low29.6Very low178 Ų178157.9 Ų157.977%0.77480%0.803SS**  trans80.293.8163-54159.7-171.9168.80116.3
987N30.6Very low29.6Very low153 Ų153154.1 Ų154.182%0.81879%0.789SS**  -167.2135.597.7-95.8-50.1000112.6
988K29.3Very low29.4Very low198 Ų198154.2 Ų154.286%0.86179%0.785SS**  trans-3.6124.7164.4-58.9168.1179.8173.20115
989K27Very low29.3Very low194 Ų194153.9 Ų153.984%0.84379%0.787SS**  -170.388.562.8-175.9-166.9176-170.30112.6
990D28.5Very low29.1Very low157 Ų157154.5 Ų154.584%0.8479%0.785SS**  trans-80.8126.4164.9-47.7-77.8000110.8
991V29.9Very low29.3Very low136 Ų136155 Ų15582%0.82479%0.788SS**  trans-146115.5136.5178.50000106.7
992L25.3Very low29.1Very low171 Ų171150.1 Ų150.190%0.89578%0.78SS**  trans-90.2132.3172178.475000109.1
993S26.1Very low29.4Very low80 Ų80149.3 Ų149.356%0.55978%0.777SS**  trans-160.8100.7166.660.20000112.5
994H27.8Very low29.5Very low164 Ų164148.8 Ų148.876%0.75977%0.774SS**  trans64.2123.6158.4-38.5-46.3000115.4
995L26.5Very low29.4Very low149 Ų149148.3 Ų148.378%0.7878%0.776SS**  cis52.269.128.3-154.383.5000113.1
996I32.3Very low29.7Very low160 Ų160147.2 Ų147.282%0.82178%0.78SS**  trans-115116.6141.9-72.6178.2000105.8
997D29.7Very low29.4Very low103 Ų103146.3 Ų146.355%0.55178%0.782SS**  trans-59.2162167.3-57.5-84.3000111.7
998N28.3Very low29.1Very low130 Ų130145 Ų14570%0.69578%0.784SS**  cis-165.9-179.8-20.8-93.9-27.9000105.3
999L28.4Very low28.7Very low144 Ų144143.2 Ų143.275%0.75478%0.783SS**  trans69.793.6178.8-46.8176.8000112.3
1000E31.9Very low28.7Very low180 Ų180140.4 Ų140.484%0.84178%0.783SS**  76.212264-64.5174.3144.900113.8
1001D31.7Very low28.5Very low154 Ų154138.8 Ų138.882%0.82478%0.784SS**  trans-156.8115.9143-152-13000108.5
1002S30Very low28.1Very low109 Ų109139.9 Ų139.976%0.76278%0.784SS**  trans-17284.5-178.8-80.40000113.7
1003D32.7Very low28.1Very low151 Ų151137.7 Ų137.781%0.80778%0.778SS**  trans-108118.2154.4-83-43.9000109.3
1004H31.5Very low28.3Very low167 Ų167139.2 Ų139.277%0.77379%0.786SS**  72.9106.776.9-8799.7000115.2
1005V32.2Very low28.3Very low143 Ų143136 Ų13687%0.86778%0.782SS**  trans-127.6115.7155176.50000107.1
1006G31.9Very low28.6Very low70 Ų70136.2 Ų136.272%0.72278%0.779SS**  trans-113.6151.5-178.900000112.5
1007I26Very low28.6Very low159 Ų159134.1 Ų134.182%0.81577%0.774SS**  trans-141.6107.2179.2-41.9172.5000109.8
1008S24.4Very low28.6Very low125 Ų125132.1 Ų132.187%0.87478%0.777SS**  trans-172.6155.4159.1-84.50000110.9
1009L21.1Very low29Very low161 Ų161129.5 Ų129.584%0.84377%0.766SS**  trans-113163.2178.5-75.9164.3000111
1010T26.7Very low29.3Very low135 Ų135132.2 Ų132.283%0.82877%0.768SS**  trans57.195.2165.753.60000117.6
1011S23.9Very low30.1Very low124 Ų124130.2 Ų130.287%0.86776%0.761SS**  -176.2166.8122.5410000112.4
1012L22.3Very low31Very low159 Ų159129.7 Ų129.783%0.83276%0.758SS**  trans-44.2129.1-173-59.7160000116.2
1013T24.5Very low32.7Very low125 Ų125132.5 Ų132.577%0.76776%0.764SS**  trans39105.1148.956.10000118.1
1014P30.2Very low34.2Very low111 Ų111127.6 Ų127.672%0.72174%0.737SS**  -104.8145.991.6-14.731.6000111.2
1015S27.9Very low35.7Very low97 Ų97125.5 Ų125.568%0.67873%0.732SS**  cis77.8143.241.5-164.40000114
1016H34.3Very low37.5Very low154 Ų154125.2 Ų125.271%0.71373%0.726SS**  trans57.586.8177.539-80000118.9
1017T32.1Very low39.3Very low116 Ų116126.3 Ų126.371%0.71272%0.718SS**  49.678.1125.8-43.10000118
1018G29Very low41Very low61 Ų61122.1 Ų122.163%0.62970%0.697SS**  trans-75.313216200000111.7
1019T36.1Very low42.7Very low74 Ų74120.8 Ų120.845%0.45468%0.679SS.*  trans-88.9124.9172.2-61.30000109.2I1021 I1037T1019-I1021 PolarHBondContact O-N 2.68Å; T1019-I1037 HydrophobicContact CG2-CG2 3.93Å
1020Y35.3Very low44.6Very low202 Ų202117.3 Ų117.379%0.79267%0.674SS**  trans-76114.4-178.3-60.7-82.8000111.3
1021I49Very low46.2Very low138 Ų138117.5 Ų117.571%0.70867%0.665SS**  trans-92.1116162.6-58.1174.4000106T1019T1019-I1021 PolarHBondContact O-N 2.68Å
1022L50.3Low47.3Very low142 Ų142114.4 Ų114.474%0.74365%0.653SS**  trans-75.1125.3170.1-70172.3000108.1I1024L1022-I1024 PolarHBondContact O-N 3.34Å
1023D64.8Low48.9Very low168 Ų168110.3 Ų110.390%0.89863%0.634SS**  trans-70.1122.8177.6-148.62.4000108.4
1024I65.4Low50.3Low48 Ų48111.3 Ų111.325%0.24663%0.634CS.*  trans-112.9121.8-173.4-72.5178.2000107.6L1022 L1028 I1029 P1035L1022-I1024 PolarHBondContact O-N 3.34Å; I1024-L1028 HydrophobicContact CG2-CB 3.49Å; I1024-L1028 VanDerWaalsContact CG2-CB 3.49Å; I1024-L1028 HydrophobicContact CG2-CD1 3.93Å; I1024-L1028 HydrophobicContact CG2-CG 4.35Å; I1024-I1029 HydrophobicContact CG2-CG1 4.25Å; I1024-I1029 WeakPolarHBondContact O-CD1 3.37Å; I1024-P1035 HydrophobicContact CD1-CB 4.14Å
1025D62.3Low51.3Low123 Ų123109.6 Ų109.666%0.65862%0.623SS**  trans-49.8142.7-178.6-80.1-45000112.8T1027 L1028 I1029D1025-T1027 WeakPolarHBondContact CB-OG1 3.48Å; D1025-T1027 PolarHBondContact O-N 2.98Å; D1025-L1028 PolarHBondContact O-N 3.04Å; D1025-I1029 PolarHBondContact O-N 3.41Å
1026D69.5Low52.2Low138 Ų138110.9 Ų110.974%0.73863%0.627SS**Hα-helixtrans-47.9-26.7178-83.1-34.1000113.6A1030D1026-A1030 WeakPolarHBondContact O-CB 3.29Å; D1026-A1030 PolarHBondContact O-N 3.27Å
1027T70.9Confident52.8Low92 Ų92109.6 Ų109.656%0.56462%0.623SS**Hα-helixtrans-64.8-41.1176.548.40000113.2D1025 A1030 Q1031D1025-T1027 WeakPolarHBondContact CB-OG1 3.48Å; D1025-T1027 PolarHBondContact O-N 2.98Å; T1027-A1030 PolarHBondContact O-N 3.5Å; T1027-Q1031 WeakPolarHBondContact O-CG 3.37Å; T1027-Q1031 PolarHBondContact O-N 3.37Å; T1027-Q1031 VanDerWaalsContact O-N 3.17Å
1028L61.3Low53Low71 Ų71110.6 Ų110.637%0.37262%0.623SS.*Hα-helixtrans-78.9-34.3178.8-72.1170.4000111.3I1024 D1025 A1030 Q1031 G1032 V1033I1024-L1028 HydrophobicContact CG2-CB 3.49Å; I1024-L1028 VanDerWaalsContact CG2-CB 3.49Å; I1024-L1028 HydrophobicContact CG2-CD1 3.93Å; I1024-L1028 HydrophobicContact CG2-CG 4.35Å; D1025-L1028 PolarHBondContact O-N 3.04Å; L1028-A1030 VanDerWaalsContact C-N 3.31Å; L1028-A1030 PolarHBondContact O-N 3.22Å; L1028-Q1031 WeakPolarHBondContact O-CB 3.41Å; L1028-Q1031 PolarHBondContact O-N 3.42Å; L1028-Q1031 VanDerWaalsContact O-N 3.13Å; L1028-G1032 PolarHBondContact O-N 2.93Å; L1028-V1033 PolarHBondContact O-N 3.5Å
1029I60.8Low53.3Low97 Ų97116.7 Ų116.750%0.49763%0.627SS.*Hα-helixtrans-61.1-42.4169.1-57.2179.2000110I1024 D1025 Q1031 G1032I1024-I1029 HydrophobicContact CG2-CG1 4.25Å; I1024-I1029 WeakPolarHBondContact O-CD1 3.37Å; D1025-I1029 PolarHBondContact O-N 3.41Å; I1029-Q1031 VanDerWaalsContact C-N 3.26Å; I1029-Q1031 PolarHBondContact O-N 2.95Å; I1029-G1032 PolarHBondContact O-N 2.93Å
1030A60Low53.3Low88 Ų88117 Ų11773%0.72763%0.632SS**Hα-helixtrans-67.1-22175.100000114D1026 T1027 L1028 G1032D1026-A1030 WeakPolarHBondContact O-CB 3.29Å; D1026-A1030 PolarHBondContact O-N 3.27Å; T1027-A1030 PolarHBondContact O-N 3.5Å; L1028-A1030 VanDerWaalsContact C-N 3.31Å; L1028-A1030 PolarHBondContact O-N 3.22Å; A1030-G1032 VanDerWaalsContact C-N 3.3Å
1031Q61Low53.2Low140 Ų140114.8 Ų114.865%0.65463%0.629SS**THydrogen-bonded Turntrans-81.2-7.7169.4-70.3176.49.800113.2T1027 L1028 I1029T1027-Q1031 WeakPolarHBondContact O-CG 3.37Å; T1027-Q1031 PolarHBondContact O-N 3.37Å; T1027-Q1031 VanDerWaalsContact O-N 3.17Å; L1028-Q1031 WeakPolarHBondContact O-CB 3.41Å; L1028-Q1031 PolarHBondContact O-N 3.42Å; L1028-Q1031 VanDerWaalsContact O-N 3.13Å; I1029-Q1031 VanDerWaalsContact C-N 3.26Å; I1029-Q1031 PolarHBondContact O-N 2.95Å
1032G47.1Very low52.4Low59 Ų59115.8 Ų115.861%0.60863%0.63SS**THydrogen-bonded Turntrans85.415.6178.100000114.7L1028 I1029 A1030 L1034L1028-G1032 PolarHBondContact O-N 2.93Å; I1029-G1032 PolarHBondContact O-N 2.93Å; A1030-G1032 VanDerWaalsContact C-N 3.3Å; G1032-L1034 PolarHBondContact O-N 2.97Å
1033V55.2Low51.7Low72 Ų72115.3 Ų115.344%0.43663%0.634SS.*  trans-76.6111.8172.1-1760000108.5L1028L1028-V1033 PolarHBondContact O-N 3.5Å
1034L53.4Low50.1Low146 Ų146114.6 Ų114.676%0.76463%0.629SS**PPolyproline II helixtrans-85.2141.2175.7-70.3172.8000110.7G1032G1032-L1034 PolarHBondContact O-N 2.97Å
1035P52.3Low48.2Very low75 Ų75117.3 Ų117.349%0.48766%0.659SS.*PPolyproline II helixtrans-64.9136.1-176.525.2-34.1000112.4I1024I1024-P1035 HydrophobicContact CD1-CB 4.14Å
1036V45.6Very low46.5Very low125 Ų125117 Ų11776%0.75867%0.666SS**PPolyproline II helixtrans-93.1121.2179.81780000110I1038V1036-I1038 HydrophobicContact CG1-CG1 4.41Å
1037I47.3Very low44.3Very low126 Ų126116 Ų11665%0.64667%0.67SS**  trans-87.8114.4179.2-57.6172.9000109.6T1019T1019-I1037 HydrophobicContact CG2-CG2 3.93Å
1038I37.6Very low42.2Very low138 Ų138117.4 Ų117.471%0.70868%0.678SS**  trans-100.1115.6174.8-56.7178.5000109V1036V1036-I1038 HydrophobicContact CG1-CG1 4.41Å
1039R33.6Very low40.6Very low189 Ų189118.5 Ų118.571%0.71369%0.688SS**  trans-91.8121.4172.1-86.4-175.2170142.3-0.7111.1
1040S37.8Very low39Very low80 Ų80118.5 Ų118.556%0.55969%0.692SS**  trans-76.5123.1162.342.80000110.3
1041H32Very low37.7Very low156 Ų156121.7 Ų121.772%0.72270%0.696SS**  trans-102.488.2175-82.8-94.5000110.5T1043H1041-T1043 PolarHBondContact O-N 3.47Å; H1041-T1043 VanDerWaalsContact O-N 3.14Å
1042E33.3Very low36.3Very low158 Ų158121 Ų12174%0.73870%0.697SS**  trans-77.193.4173.7-70.4174.8-152.900110.6
1043T35.5Very low35.5Very low133 Ų133123.8 Ų123.882%0.81671%0.707SS**  trans-90.8103.3171.4-51.30000108.7H1041H1041-T1043 PolarHBondContact O-N 3.47Å; H1041-T1043 VanDerWaalsContact O-N 3.14Å
1044L29.9Very low34.1Very low153 Ų153123.7 Ų123.780%0.80172%0.72SS**  trans-66.3148.8-173.6-70170000112.9
1045A24.9Very low32.9Very low105 Ų105125.1 Ų125.187%0.86873%0.728SS**  trans-65.6144.1-179.800000112.9
1046S26.9Very low31.7Very low116 Ų116129.3 Ų129.381%0.81175%0.746SS**  trans-144.7125.3160.9-161.30000109.6
1047S24.1Very low31.1Very low118 Ų118131.4 Ų131.483%0.82575%0.751SS**  trans-113.4111.5-168.8550000111.2
1048V26.3Very low30.1Very low120 Ų120134.4 Ų134.473%0.72776%0.762SS**  trans-138104.8-175.2178.60000113
1049T27.8Very low29.7Very low94 Ų94132.5 Ų132.558%0.57776%0.761SS**  trans39112.6146.564.60000123.2
1050T27.2Very low29.5Very low97 Ų97128 Ų12860%0.59576%0.764SS**  23.3126.4123.751.60000122.1
1051I32.1Very low28.8Very low156 Ų156132.5 Ų132.580%0.878%0.779SS**  trans-131.5145.4152.2-63.8-178.4000108.7
1052D31.6Very low28.5Very low125 Ų125132.4 Ų132.467%0.66878%0.784SS**  trans-123.3119.7179.8-60.1-87.1000110.5K963K963-D1052 IonicContact NZ-OD2 3.16Å; K963-D1052 PolarHBondContact NZ-OD2 3.42Å
1053S31.5Very low28.3Very low118 Ų118130.5 Ų130.583%0.82578%0.783SS**  trans179.4142.8165540000109.2
1054G25.7Very low27.9Very low69 Ų69133 Ų13371%0.71179%0.785SS**  cis153.5153.6-1.400000110.9
1055L27.4Very low27.7Very low177 Ų177129.1 Ų129.193%0.92778%0.782SS**  trans69.6118.3173.3-61.8168.3000118.7
1056N27.1Very low27.8Very low163 Ų163130.4 Ų130.487%0.87278%0.779SS**  trans-68.1155150.3-101.6-20.7000110
1057I34Very low27.9Very low169 Ų169132.4 Ų132.487%0.86778%0.778SS**  trans-113.7144.6159.7-67.9179.4000108.6
1058E25.9Very low27.9Very low188 Ų188132 Ų13288%0.87977%0.771SS**  trans-94168.4-159.5-163167.6-166.600114.1
1059S28.2Very low28Very low98 Ų98134.2 Ų134.269%0.68577%0.773SS**  trans-79.5143.2-171.192.40000114.8
1060A30.4Very low27.9Very low94 Ų94136.1 Ų136.178%0.77778%0.78SS**  trans-147.8122.6143.500000106.9
1061M22.4Very low27.9Very low175 Ų175138.4 Ų138.486%0.86279%0.787SS**  cis62.79649-59.7-149.6135.600114.3
1062N25.4Very low27.6Very low154 Ų154136.8 Ų136.882%0.82479%0.785SS**  -168.1164.2111.4-151.4-2.6000113.6
1063T30.7Very low27.7Very low118 Ų118136 Ų13672%0.72479%0.786SS**  trans83125154.2-39.80000118.8
1064H25.4Very low27.4Very low187 Ų187142.2 Ų142.287%0.86679%0.792SS**  trans-88.9-179.7173.8-80.7-9.1000113
1065G27.7Very low27.5Very low71 Ų71142.7 Ų142.773%0.73280%0.796SS**  trans-68.3-161.1169.800000114.4
1066V25.8Very low27.7Very low132 Ų132139.7 Ų139.780%0.879%0.791SS**  cis-150.3144.624.11730000110.7
1067I28.4Very low28.1Very low157 Ų157137.2 Ų137.281%0.80578%0.783SS**  trans167.199.4154.3-91.5154.5000105.2
1068V25.7Very low27.9Very low109 Ų109136.7 Ų136.766%0.66178%0.78SS**  102.8141.380155.50000111.5
1069E28Very low27.9Very low167 Ų167132.4 Ų132.478%0.7877%0.772SS**  trans73.5111.7166.8-82.6162.6-13800123
1070N25Very low28Very low134 Ų134135 Ų13572%0.71777%0.77SS**  78.2111.3124.6-80.4-18.8000124.8
1071I28Very low28.3Very low145 Ų145137.5 Ų137.574%0.74477%0.766SS**  trans51.6105.4140.238.3171.4000123.2
1072T25.4Very low29.1Very low123 Ų123134.8 Ų134.876%0.75576%0.759SS**  46.3139100.9-49.90000120.2
1073P34Very low29.2Very low108 Ų108135.6 Ų135.670%0.70176%0.763SS**  cis-136.5-179.9-18.540.5-23000116.1
1074R25.7Very low29.5Very low248 Ų248140.2 Ų140.294%0.93677%0.767SS**  trans33.6110.8149-86.2-177.1159.3171.3-5.7119.8
1075G26.4Very low29.6Very low79 Ų79139.9 Ų139.981%0.81477%0.766SS**  trans-126.9120.1151.200000111.9
1076S31.3Very low30.2Very low115 Ų115144 Ų14480%0.80477%0.769SS**  trans-107.3165.3156.1-57.60000106.4
1077P36.7Very low30.6Very low110 Ų110143.2 Ų143.271%0.71477%0.765SS**  cis-156.4-157.835.442.3-17.7000116.6
1078I28.5Very low30.7Very low158 Ų158144.3 Ų144.381%0.8177%0.766SS**  trans84.4134.9154.8-72.6166.6000118.5
1079S27.2Very low31.2Very low99 Ų99145.8 Ų145.869%0.69277%0.77SS**  trans-90.3171.5178.751.10000112.9
1080K30.4Very low31.4Very low152 Ų152145.1 Ų145.166%0.66177%0.772SS**  179.4138.4121.5-99.6172.4167.3-72.40115.1
1081E36.6Very low31.9Very low147 Ų147146.1 Ų146.169%0.68778%0.777SS**  trans35.7108.6135.7-65.2145.2-151.200120.6
1082T38.4Very low32.2Very low117 Ų117146.6 Ų146.672%0.71878%0.782SS**  -168.5141.61249.60000112.2
1083L27.8Very low32.7Very low172 Ų172149 Ų14990%0.90179%0.79SS**  trans-81138.9164.6-74.4110.7000109.7
1084W37.9Very low32.7Very low215 Ų215152.5 Ų152.581%0.81480%0.797SS**  trans-118.1122.8175.4-78.395.4000111.7
1085H27.4Very low33Very low180 Ų180144.9 Ų144.983%0.83378%0.782SS**  trans-72.1135.6166.4-74.2-121.3000109.7
1086I39.5Very low33.6Very low158 Ų158150.2 Ų150.281%0.8178%0.777SS**  trans-132.790.9161.1-56.8-176.4000109.8
1087V34.7Very low33.7Very low115 Ų115149.6 Ų149.670%0.69777%0.765SS**  trans42.2121.3130.4-178.70000119.3
1088E30.1Very low33.6Very low179 Ų179150 Ų15084%0.83676%0.761SS**  trans-60.6147.3165.9-57.8148.614800112.4
1089N36.1Very low33.9Very low141 Ų141147.5 Ų147.575%0.75475%0.749SS**  trans-151.788.8160.8-85.2-74000109.9
1090D31.8Very low34.1Very low152 Ų152148.2 Ų148.281%0.81375%0.745SS**  trans-72.8134.9159.1-61.9-49.8000109.1
1091N36.2Very low34.1Very low155 Ų155149.2 Ų149.283%0.82976%0.757SS**  trans-164.4122.4156.5-89.9-66.7000109.3
1092D33.5Very low33.8Very low156 Ų156148 Ų14883%0.83476%0.759SS**  trans-78.1152168.9-51.2-86.3000111.5
1093D37.6Very low33.2Very low172 Ų172150 Ų15092%0.9277%0.765SS**  trans-172.7147137-114.3-26.4000112.7
1094E32.1Very low33.3Very low182 Ų182147.9 Ų147.985%0.8576%0.759SS**  trans-93.3163.5176.8-64.6-168.6148.600113.3
1095S33Very low32.8Very low89 Ų89143.3 Ų143.362%0.62276%0.755SS**  176131.2128.742.50000119.3K1289S1095-K1289 PolarHBondContact O-NZ 2.84Å; S1095-K1289 VanDerWaalsContact O-NZ 3.1Å
1096R37.9Very low32.7Very low190 Ų190139.5 Ų139.572%0.71775%0.748SS**  trans76.1107.6139.2-67.5168.6177.7154.61.9122.4K1289R1096-K1289 VanDerWaalsContact O-CD 3.31Å; R1096-K1289 WeakPolarHBondContact O-CD 3.16Å; R1096-K1289 VanDerWaalsContact O-CE 3.23Å; R1096-K1289 WeakPolarHBondContact O-CE 3.4Å; R1096-K1289 PolarHBondContact O-NZ 3.36Å
1097D35Very low32Very low103 Ų103138.6 Ų138.655%0.55175%0.745SS**  62.3153.7106-43-17.6000125.1L1290D1097-L1290 CarbonylContact C-O 3.57Å
1098N33.7Very low31.7Very low118 Ų118142.2 Ų142.263%0.63175%0.754SS**  trans8195.7162-64.6-27.5000119.8K1289 L1290N1098-K1289 CarbonylContact O-C 3.06Å; N1098-L1290 CarbonylContact C-O 3.53Å; N1098-L1290 PolarHBondContact N-O 3.46Å; N1098-L1290 VanDerWaalsContact O-CA 3.27Å; N1098-L1290 WeakPolarHBondContact O-CA 3.35Å; N1098-L1290 PolarHBondContact O-N 3.14Å
1099N35.9Very low31.6Very low105 Ų105139.2 Ų139.256%0.56175%0.754SS**  154.8121.5128.5-77.1-34.9000113.1L1290 P1291N1099-L1290 WeakPolarHBondContact O-CA 3.16Å; N1099-P1291 CarbonylContact C-O 3.1Å; N1099-P1291 WeakPolarHBondContact CA-O 3.44Å; N1099-P1291 PolarHBondContact N-O 2.88Å; N1099-P1291 WeakPolarHBondContact O-CA 3.26Å
1100D31.4Very low31.4Very low115 Ų115136.6 Ų136.662%0.61576%0.76SS**  trans-75.8158.4175.7-66.9-62000114.4P1291 D1292D1100-P1291 PolarHBondContact N-O 3.47Å; D1100-D1292 PolarHBondContact OD1-N 3.25Å
1101L30.4Very low31.2Very low172 Ų172140.7 Ų140.790%0.90176%0.764SS**  trans-139.986.2165.9-146.6163000110.9
1102V30.1Very low31.1Very low122 Ų122137.1 Ų137.174%0.73975%0.749SS**  trans-72.6128.6178.9174.90000111V1104V1102-V1104 PolarHBondContact O-N 2.89Å
1103L26.1Very low30.8Very low159 Ų159140 Ų14083%0.83275%0.749SS**  trans-71.2117.9-179.7-177.774000112.3
1104V30Very low30.3Very low127 Ų127138.3 Ų138.377%0.7774%0.741SS**  trans-131.4136.5162.3-178.10000110.5V1102V1102-V1104 PolarHBondContact O-N 2.89Å
1105T26.8Very low30Very low119 Ų119135.1 Ų135.173%0.7373%0.734SS**  trans-72.7141-175.153.70000114.1
1106S24.7Very low29.8Very low100 Ų100134.9 Ų134.970%0.69973%0.732SS**  174.8135.5113.959.40000115.3
1107N26Very low29.4Very low140 Ų140135.5 Ų135.575%0.74974%0.74SS**  trans30.6115.2140.2-43.5-26.3000120.7
1108Q28.1Very low29.2Very low190 Ų190137.1 Ų137.189%0.88875%0.749SS**  175.3165.1107.5-95.8165.197.400115.9
1109S27.5Very low29.1Very low117 Ų117138.4 Ų138.482%0.81876%0.756SS**  trans-43.3145.6-177.651.30000119.7
1110G31.6Very low28.7Very low86 Ų86138 Ų13889%0.88776%0.76SS**  trans-146.7149.2165.200000113.7
1111R27.1Very low28.7Very low238 Ų238140.3 Ų140.390%0.89877%0.772SS**  trans-129.3177.2179.5-113.8-161.6172.4-1521.8107
1112P34.3Very low28.7Very low79 Ų79138 Ų13851%0.51376%0.76SS.*  cis-135.3-154.3-41.337.1-16.2000111.5
1113Y27.4Very low28.6Very low216 Ų216139.9 Ų139.985%0.84776%0.761SS**  trans78.5160.9168.9-54.1-72.3000118.4
1114N26.5Very low29.1Very low137 Ų137141 Ų14173%0.73377%0.767SS**  cis-167.3159.1-48.7-160.816.5000111
1115V27.1Very low29.2Very low116 Ų116140.2 Ų140.270%0.70377%0.767SS**  trans69.7128.8165.7-159.70000118.2
1116S27.9Very low29.4Very low83 Ų83138.1 Ų138.158%0.5877%0.77SS**  trans-67.2170.9172.5-44.70000114.3
1117F30.3Very low29.7Very low204 Ų204141.3 Ų141.390%0.89577%0.773SS**  -135.9143.8119.4-99.5-75000110.1
1118D31.1Very low29.8Very low137 Ų137144.5 Ų144.573%0.73378%0.781SS**  trans-85.8151.5-177.8-45.6-91.7000111.4
1119N30.3Very low30Very low145 Ų145141 Ų14178%0.77577%0.773SS**  -167.8147.9107.5-163.722000111.1
1120C27.4Very low30Very low97 Ų97143.6 Ų143.666%0.65577%0.774SS**  trans-98.4156.7170-64.20000110.5
1121N32.9Very low30Very low163 Ų163148 Ų14887%0.87277%0.771SS**  trans-152142.7151.8-103-27.9000109.2
1122N28.9Very low30.4Very low122 Ų122141.5 Ų141.565%0.65276%0.762SS**  trans-110.2159.9-158.7-88.217.4000114.3
1123E29.6Very low30.1Very low162 Ų162145.4 Ų145.476%0.75778%0.778SS**  trans42.8123.7138.1-61.6166129.500121
1124L35Very low30.2Very low184 Ų184145.8 Ų145.896%0.96378%0.778SS**  trans-135.295.9140.6-89.8178.1000110.2
1125S33.8Very low30.5Very low110 Ų110143.2 Ų143.277%0.76978%0.776SS**  trans-125.471.1172.1176.90000109.8Q1127S1125-Q1127 PolarHBondContact O-N 2.85Å
1126G30.7Very low30.9Very low75 Ų75146.1 Ų146.177%0.77378%0.782SS**  trans-72.285-175.300000113.9
1127Q30.9Very low31Very low167 Ų167151.9 Ų151.978%0.7880%0.797SS**  trans-93112.8165.1-173.5170.65.200110.2S1125 T1129S1125-Q1127 PolarHBondContact O-N 2.85Å; Q1127-T1129 PolarHBondContact O-N 3.19Å
1128F27.3Very low31.2Very low207 Ų207150.6 Ų150.691%0.90879%0.793SS**  trans-74.2109177.1-94.6-101.8000112
1129T33Very low31.4Very low117 Ų117150.7 Ų150.772%0.71879%0.794SS**  trans-137.2127.1156.639.40000109.2Q1127 E1131Q1127-T1129 PolarHBondContact O-N 3.19Å; T1129-E1131 PolarHBondContact O-N 2.95Å
1130M27.8Very low31.4Very low170 Ų170150.6 Ų150.684%0.83780%0.799SS**  trans-74.2109.5-176.7-80.8-169.717300112.3
1131E31.5Very low31.3Very low178 Ų178155.3 Ų155.383%0.83280%0.804SS**  trans-139.7-17.5156.9-137.488.5-118.800113.1T1129 L1133T1129-E1131 PolarHBondContact O-N 2.95Å; E1131-L1133 VanDerWaalsContact C-N 3.26Å; E1131-L1133 PolarHBondContact O-N 3.41Å; E1131-L1133 VanDerWaalsContact O-N 3.07Å
1132S35.3Very low31.2Very low102 Ų102156.7 Ų156.771%0.71380%0.802SS**  trans-67.8-7-172.4-45.10000117R1134S1132-R1134 PolarHBondContact O-N 3.36Å
1133L27.1Very low31.2Very low162 Ų162156.5 Ų156.585%0.84881%0.811SS**THydrogen-bonded Turntrans-78.537.4175.6-67.3178.6000113.1E1131E1131-L1133 VanDerWaalsContact C-N 3.26Å; E1131-L1133 PolarHBondContact O-N 3.41Å; E1131-L1133 VanDerWaalsContact O-N 3.07Å
1134R29.2Very low31.1Very low223 Ų223156.4 Ų156.484%0.84282%0.815SS**THydrogen-bonded Turntrans-158.262.3169.4-170.4173.7-76-111.7-6.6110.6S1132S1132-R1134 PolarHBondContact O-N 3.36Å
1135A34Very low30.9Very low83 Ų83152.9 Ų152.969%0.68680%0.803SS**THydrogen-bonded Turntrans-157.3-32.3168.400000113.2F1137A1135-F1137 PolarHBondContact O-N 2.95Å
1136E33.9Very low30.6Very low178 Ų178152.8 Ų152.883%0.83280%0.802SS**SBendtrans-76.625.9-171.8-152174.5-16800115.2
1137F31.9Very low30.7Very low204 Ų204155.2 Ų155.290%0.89581%0.805SS**SBendtrans-138.853.7173.8-86.7-71000111.6A1135A1135-F1137 PolarHBondContact O-N 2.95Å
1138E33.6Very low30.4Very low176 Ų176154.4 Ų154.482%0.82281%0.806SS**SBendtrans-152.2150.4148.9-111.9146.2-155.800109.9
1139D34.7Very low30.5Very low139 Ų139153.4 Ų153.474%0.74380%0.803SS**  trans60.251.2168.9-62.4-12.2000120.1Y1141D1139-Y1141 PolarHBondContact O-N 3.44Å
1140T30Very low30.2Very low143 Ų143157.5 Ų157.588%0.87781%0.812SS**  trans-78.966.5134.4-58.40000109.5
1141Y26.1Very low30.4Very low196 Ų196156.9 Ų156.977%0.76981%0.811SS**  trans-142.3145.1169.1-100.8-79.6000111.1D1139D1139-Y1141 PolarHBondContact O-N 3.44Å
1142K31.1Very low30.1Very low192 Ų192152 Ų15284%0.83581%0.808SS**  trans68.446.7175.2-56.7177.8-176.4-68.10116.9L1144K1142-L1144 PolarHBondContact O-N 3.35Å
1143S28.3Very low29.8Very low118 Ų118150.7 Ų150.783%0.82581%0.812SS**  trans-70.794.6137.459.10000109.7
1144L27.7Very low29.7Very low160 Ų160147.3 Ų147.384%0.83881%0.807SS**SBendtrans178.4139.8144.8-96.9172.9000110.1K1142K1142-L1144 PolarHBondContact O-N 3.35Å
1145P30.6Very low29.7Very low110 Ų110143.9 Ų143.971%0.71481%0.805SS**PPolyproline II helixtrans-95.5144-168.535.9-34.1000114.5P1147P1145-P1147 WeakPolarHBondContact O-CD 3.43Å
1146S28.9Very low29.3Very low109 Ų109145.6 Ų145.676%0.76281%0.812SS**PPolyproline II helixtrans-86.3119.8174.2-57.80000112.3
1147P30.9Very low29Very low126 Ų126141.5 Ų141.582%0.81880%0.803SS**PPolyproline II helixtrans-82.8117.2174.2-5.423.9000111.2P1145P1145-P1147 WeakPolarHBondContact O-CD 3.43Å
1148N26.5Very low28.8Very low150 Ų150138.9 Ų138.980%0.80280%0.798SS**  trans-127.483.9177.4-92.8-20.8000111.6
1149Q27.6Very low28.5Very low185 Ų185138 Ų13886%0.86480%0.799SS**  trans-147.761.5165.6-75.1-157.926.500113.2
1150F27.7Very low28.1Very low203 Ų203136 Ų13689%0.8980%0.796SS**  trans-159.2150152.3-81.7-64.8000105.6
1151L31.3Very low27.8Very low157 Ų157137.2 Ų137.282%0.82279%0.794SS**  cis-145.215713.2-170.562.2000109.8
1152G25.8Very low28Very low75 Ų75134.5 Ų134.577%0.77379%0.793SS**  trans-106.4129171.400000112.1
1153G28.3Very low27.8Very low76 Ų76132 Ų13278%0.78479%0.787SS**  trans143.7117.6179.700000109.1
1154A25.9Very low27.8Very low90 Ų90133.3 Ų133.374%0.74479%0.79SS**  cis106.6112.235.900000111.1
1155D28.4Very low27.7Very low151 Ų151134.1 Ų134.181%0.80779%0.79SS**  trans66.6143.3158.4-52.9-25.7000121.4
1156S26.4Very low27.6Very low119 Ų119134.2 Ų134.283%0.83279%0.793SS**  trans67.5145.117067.50000118.1
1157S27.9Very low27.6Very low93 Ų93134.2 Ų134.265%0.6579%0.793SS**  cis-167.4144.6-13.845.60000112.1
1158D27.8Very low27.6Very low148 Ų148135.5 Ų135.579%0.79180%0.799SS**  trans64156.6150.3-60.7-34.5000122.3
1159N25.7Very low27.7Very low157 Ų157134.8 Ų134.884%0.8479%0.794SS**  trans69.2139.9175.6-65.6-40.3000118.1
1160S26.6Very low27.6Very low98 Ų98133.6 Ų133.669%0.68579%0.792SS**  cis-163.7153.6-16.947.90000111
1161M23.8Very low27.8Very low169 Ų169129.9 Ų129.983%0.83378%0.781SS**  trans7.3126.4164.9-60.3-171.3-64.300119.5
1162N30.9Very low27.7Very low138 Ų138132 Ų13274%0.73878%0.783SS**  -159.6134.3103.1-104.5-22000115.1
1163I26.6Very low27.8Very low139 Ų139136.8 Ų136.871%0.71379%0.788SS**  trans44.8100.1145-51.8163.4000117.6
1164V28.7Very low28Very low146 Ų146140.2 Ų140.289%0.88579%0.788SS**  trans-131.889.9148.3-179.20000108.1
1165E25.9Very low28.2Very low178 Ų178145.2 Ų145.283%0.83279%0.793SS**  trans-100.7110168.1-74.8-161.4132.900110.4
1166S27.9Very low28.3Very low112 Ų112144.5 Ų144.578%0.78380%0.795SS**  trans-177.7159148.5-88.30000112.2
1167S28.9Very low28.5Very low109 Ų109141.8 Ų141.876%0.76279%0.786SS**  trans71.264.8165.5-53.90000117.8L1169S1167-L1169 VanDerWaalsContact C-N 3.3Å; S1167-L1169 PolarHBondContact O-N 2.92Å
1168T30Very low28.8Very low153 Ų153144.4 Ų144.494%0.93979%0.79SS**  trans-63.482.8157.123.80000111.8L1170T1168-L1170 PolarHBondContact O-N 2.95Å
1169L28.8Very low28.9Very low135 Ų135145 Ų14571%0.70779%0.793SS**  trans-88.289.1-174.8-147.3174.3000111.9S1167 I1171S1167-L1169 VanDerWaalsContact C-N 3.3Å; S1167-L1169 PolarHBondContact O-N 2.92Å; L1169-I1171 HydrophobicContact CD2-CD1 3.71Å; L1169-I1171 HydrophobicContact CD2-CG1 3.6Å; L1169-I1171 PolarHBondContact O-N 3.38Å
1170L26.9Very low29Very low159 Ų159146 Ų14683%0.83279%0.79SS**  trans-76.176.7-175.6-171.871.4000113.5T1168 K1172T1168-L1170 PolarHBondContact O-N 2.95Å; L1170-K1172 PolarHBondContact O-N 2.89Å
1171I30.9Very low29.2Very low126 Ų126150.8 Ų150.865%0.64680%0.798SS**  trans-80.5105.8168.8-70.9163.8000110.3L1169 M1173L1169-I1171 HydrophobicContact CD2-CD1 3.71Å; L1169-I1171 HydrophobicContact CD2-CG1 3.6Å; L1169-I1171 PolarHBondContact O-N 3.38Å; I1171-M1173 HydrophobicContact CG2-CB 4Å; I1171-M1173 HydrophobicContact CG2-CG 4.11Å
1172K28.9Very low29.6Very low200 Ų200150.4 Ų150.487%0.8780%0.799SS**  trans-8699.8155-90.2-173.5171.7-179.60109.4L1170L1170-K1172 PolarHBondContact O-N 2.89Å
1173M27.8Very low29.5Very low177 Ų177149.3 Ų149.387%0.87280%0.802SS**  trans-115.4104.1162.8-102.8-165.415100108.9I1171I1171-M1173 HydrophobicContact CG2-CB 4Å; I1171-M1173 HydrophobicContact CG2-CG 4.11Å
1174D33.4Very low29.5Very low147 Ų147149.5 Ų149.579%0.78681%0.805SS**  trans-153.880.1174.8-163.27.7000111.8
1175F29.8Very low29.4Very low196 Ų196154.2 Ų154.286%0.8681%0.807SS**  trans-15433.1169.2-114.5-65.9000114.6
1176T31.3Very low29.5Very low136 Ų136157 Ų15783%0.83481%0.81SS**  trans-123.720.2180-29.50000113.4
1177G29.6Very low29.4Very low62 Ų62159.4 Ų159.464%0.63981%0.814SS**SBendtrans-82.4-23.2-179.200000115.9
1178I33.9Very low29.3Very low147 Ų147158.4 Ų158.475%0.75481%0.812SS**THydrogen-bonded Turntrans-91.8-9.8-162.6-69.8175000114.4
1179L29.9Very low29.2Very low160 Ų160160.7 Ų160.784%0.83881%0.812SS**THydrogen-bonded Turntrans-122.638.4176.9-76174.3000114.4
1180K28.7Very low29.1Very low178 Ų178159.3 Ų159.377%0.77481%0.814SS**SBendtrans-80.4164.6145.7-89.7179.4176.7171.60109.9L1182K1180-L1182 PolarHBondContact O-N 3.08Å
1181F30.6Very low29.2Very low199 Ų199160 Ų16087%0.87381%0.813SS**  trans79.86.2157.3-125.1-96.1000120.6S1183F1181-S1183 VanDerWaalsContact C-N 3.35Å; F1181-S1183 PolarHBondContact O-N 2.73Å
1182L32Very low29.1Very low162 Ų162159.7 Ų159.785%0.84882%0.822SS**SBendtrans-78.985.5162.2-91.7176000112.4K1180K1180-L1182 PolarHBondContact O-N 3.08Å
1183S28.6Very low28.9Very low114 Ų114160.9 Ų160.980%0.79782%0.82SS**  trans77.3144.9161.9-153.90000119F1181F1181-S1183 VanDerWaalsContact C-N 3.35Å; F1181-S1183 PolarHBondContact O-N 2.73Å
1184N27.7Very low29Very low144 Ų144162 Ų16277%0.7782%0.82SS**  trans-87.5164.2-177.7-93.2-55.8000112.9R1186N1184-R1186 PolarHBondContact O-N 2.95Å
1185R25.4Very low28.8Very low245 Ų245160.6 Ų160.693%0.92582%0.822SS**  trans-37129.3168.2-67.8176.2173.1175-2.8112.8
1186R28.4Very low28.7Very low237 Ų237160.3 Ų160.389%0.89482%0.823SS**  trans-148.5151.7150.5-133.5-178.9-68-173.40.9111.4N1184N1184-R1186 PolarHBondContact O-N 2.95Å
1187N25.7Very low28.5Very low162 Ų162162.6 Ų162.687%0.86683%0.827SS**  trans-73.9138-163-49.4-26.2000113.6
1188A27.1Very low28.6Very low88 Ų88168.8 Ų168.873%0.72784%0.836SS**  trans-164.8128.8137.300000110.1
1189Q26.9Very low28.3Very low201 Ų201168.7 Ų168.794%0.93984%0.843SS**  trans-82.4121.5157.1-76.5176.9-91.200107.8
1190S27.3Very low28.2Very low106 Ų106168.5 Ų168.574%0.74184%0.84SS**  trans-111.999.5175.1410000110.3S1192S1190-S1192 PolarHBondContact O-N 3.04Å
1191E30Very low28.2Very low174 Ų174166.6 Ų166.681%0.81384%0.838SS**  trans-68.1108.6172.1-66.8-171.514500110.9R1193E1191-R1193 PolarHBondContact O-N 2.87Å
1192S27.3Very low28Very low119 Ų119160.5 Ų160.583%0.83282%0.824SS**  trans-84.595.117452.60000111.4S1190 K1194S1190-S1192 PolarHBondContact O-N 3.04Å; S1192-K1194 PolarHBondContact O-N 3.49Å
1193R25.7Very low27.9Very low224 Ų224161.4 Ų161.485%0.84582%0.824SS**  trans-71.1105.7176.1-68.1-179.4175.5-174-2112.7E1191E1191-R1193 PolarHBondContact O-N 2.87Å
1194K30.5Very low27.8Very low201 Ų201161.6 Ų161.687%0.87482%0.822SS**  trans-147.7142.6156.8-70.6-170.1-179.9178.60109.3S1192S1192-K1194 PolarHBondContact O-N 3.49Å
1195S27.4Very low27.9Very low117 Ų117161.1 Ų161.182%0.81882%0.824SS**  cis-153.9156-8.841.90000110.6
1196Q28.3Very low27.9Very low190 Ų190158.6 Ų158.689%0.88882%0.823SS**  trans-71.2156.7179.7-58.5164.4-34.800112.6
1197M27.8Very low28.1Very low184 Ų184150.9 Ų150.991%0.90682%0.817SS**  -154136.1121.8-132.9-173.3-176.300114.1
1198K32.1Very low28.2Very low192 Ų192152.8 Ų152.884%0.83582%0.818SS**  trans66.682.9148.7-149176.6-171.2179.80119.9
1199T27.9Very low28.4Very low146 Ų146157.8 Ų157.890%0.89683%0.826SS**  trans-144.3152.4130.3-62.90000107.8
1200M27.1Very low28.6Very low156 Ų156153.3 Ų153.377%0.76882%0.817SS**  trans-144165.1-175-157.1175.989.800110.2
1201N28.8Very low28.5Very low138 Ų138155.6 Ų155.674%0.73882%0.821SS**  trans72.4163.5175.4-62.2-13.6000117
1202A26.8Very low28.6Very low71 Ų71158.9 Ų158.959%0.58783%0.826SS**  cis-175.3173.3-37.300000109.4
1203H29.3Very low28.6Very low181 Ų181158.4 Ų158.484%0.83882%0.818SS**  trans57.3101.4158.9-66.5-66.6000120.7
1204P25.9Very low28.6Very low118 Ų118155.1 Ų155.177%0.76682%0.815SS**  trans-85.9154.6139.836.2-31.6000111.3
1205V29.9Very low28.4Very low133 Ų133150.8 Ų150.881%0.80681%0.808SS**  trans178.7130.9147.9137.30000113.7
1206Q25.3Very low28.2Very low193 Ų193150.3 Ų150.390%0.90281%0.805SS**  trans20.7129.7136.7-129.2166.3-9.500121.7
1207G32.4Very low28.2Very low75 Ų75146.9 Ų146.977%0.77380%0.796SS**  trans-175.1162.8167.300000114.1
1208K29.3Very low28.1Very low201 Ų201145.3 Ų145.387%0.87479%0.792SS**  trans-144.8171.4178.6-77.6-171175-176.80111.4
1209E31.7Very low27.8Very low194 Ų194141.4 Ų141.491%0.90778%0.784SS**  trans73.4154.7172.5-65.1176.8-155.400115.7
1210S29.8Very low28Very low107 Ų107138.6 Ų138.675%0.74877%0.77SS**  cis-159.9-179.1-22.7-174.40000109.3
1211N26.2Very low28.3Very low154 Ų154138.1 Ų138.182%0.82477%0.771SS**  trans-72.4128-170-64.5-73.4000115.8
1212R31.9Very low28.2Very low242 Ų242137.8 Ų137.891%0.91377%0.768SS**  trans-169.5131.8144.5-113.5180177.4-171.8-0.9115.9
1213T26.1Very low28Very low110 Ų110138.7 Ų138.768%0.67577%0.766SS**  trans49.3105.8137.8-50.40000122.1
1214I25.7Very low28Very low154 Ų154138.2 Ų138.279%0.7977%0.769SS**  41.7135121.7-55169.1000119
1215P27Very low28Very low110 Ų110138.8 Ų138.871%0.71476%0.762SS**  cis-126.1160841.9-28.4000116.4
1216S24.1Very low27.8Very low108 Ų108139.8 Ų139.876%0.75576%0.757SS**  32.8143.9123.8-1670000122.6
1217V27.3Very low28Very low117 Ų117137.8 Ų137.871%0.70975%0.751SS**  cis-160.7135.8-23.8143.80000105.1
1218N25.9Very low27.8Very low152 Ų152140.1 Ų140.181%0.81375%0.746SS**  trans-154.8102.8142.7-164.2-2.8000107.6
1219T25.4Very low27.5Very low109 Ų109140.3 Ų140.367%0.66974%0.742SS**  trans-156.469.6-158.6-43.80000112.4
1220S32Very low27.4Very low87 Ų87140.7 Ų140.761%0.60874%0.741SS**  trans-178.1130.617549.10000108.8
1221N32.9Very low27.4Very low147 Ų147140.1 Ų140.179%0.78673%0.733SS**  cis-136.4153.5-7.5-62.4-44.7000107.3
1222I26.8Very low27.4Very low131 Ų131142 Ų14267%0.67273%0.734SS**  cis83.1102.325.9-60-178.8000114.6
1223T24Very low27.7Very low90 Ų90136.1 Ų136.155%0.55273%0.727SS**  trans48.1115.3152.359.10000122Q1225T1223-Q1225 HydrophobicContact CG2-CB 4.08Å; T1223-Q1225 HydrophobicContact CG2-CG 4.18Å
1224L29.2Very low27.7Very low171 Ų171140 Ų14090%0.89573%0.734SS**  -127.813392.6-74.1164.7000106
1225Q25Very low27.7Very low130 Ų130137.5 Ų137.561%0.60773%0.731SS**  cis71.3117.48.8-109.8-162.32.400117.8T1223T1223-Q1225 HydrophobicContact CG2-CB 4.08Å; T1223-Q1225 HydrophobicContact CG2-CG 4.18Å
1226H25.2Very low27.7Very low153 Ų153139.9 Ų139.971%0.70874%0.736SS**  trans64.8142.7175.1-62.8-108.5000114.4
1227I31.5Very low27.8Very low152 Ų152141.5 Ų141.578%0.77974%0.736SS**  cis-128.7155.223-69.8172000113.4
1228N26.6Very low27.5Very low123 Ų123141.8 Ų141.866%0.65874%0.742SS**  trans-27150.5165.8-47.9-29.5000117.6
1229Y23.5Very low27.4Very low205 Ų205139.9 Ų139.980%0.80474%0.736SS**  65.88053.4-95-82.8000116.4V1231Y1229-V1231 HydrophobicContact CD1-CG2 3.81Å; Y1229-V1231 HydrophobicContact CE1-CG2 4.4Å
1230F30.6Very low27.3Very low203 Ų203143.3 Ų143.389%0.8974%0.744SS**  trans-151.7120.8146.5-98.7-84.2000105.7
1231V28.7Very low27.1Very low94 Ų94145 Ų14557%0.5775%0.751SS**  cis86.579.920.4-165.20000115.9Y1229Y1229-V1231 HydrophobicContact CD1-CG2 3.81Å; Y1229-V1231 HydrophobicContact CE1-CG2 4.4Å
1232K26.3Very low26.8Very low195 Ų195143.7 Ų143.785%0.84875%0.753SS**  trans63.9175.9145.9-72.5178.9178.71740117.1
1233P38.2Very low26.7Very low118 Ų118144.8 Ų144.877%0.76676%0.759SS**  cis-124.4176.8-15.817.76.5000115.4
1234K26.4Very low26.8Very low190 Ų190145.2 Ų145.283%0.82677%0.766SS**  trans-38.1157.1167.1-53.4173.5171.8-175.50118.3
1235S25.2Very low26.7Very low103 Ų103143.9 Ų143.972%0.7276%0.759SS**  trans63.5118.5134.962.50000121
1236I27.8Very low26.8Very low160 Ų160144.3 Ų144.382%0.82176%0.761SS**  -162.9106106.6-93.2151.8000105.1
1237N24.6Very low27Very low141 Ų141144.8 Ų144.875%0.75477%0.768SS**  75.2129.295.8-160.831.6000113.5
1238C21.3Very low26.9Very low124 Ų124145.1 Ų145.184%0.83877%0.766SS**  trans-89.4115.2-169.6-53.70000111.6
1239T24.1Very low27.1Very low111 Ų111146.7 Ų146.768%0.68177%0.774SS**  trans-152.5136.3164.2-43.40000111.7
1240E24Very low27.5Very low181 Ų181144.2 Ų144.285%0.84678%0.775SS**  trans67.1142.2160.5-83.4165.4172.100122.8
1241V26.3Very low27.5Very low124 Ų124142.7 Ų142.775%0.75278%0.775SS**  trans-88.7147.9169.8171.90000108.2I1243V1241-I1243 HydrophobicContact CG1-CG1 4.49Å
1242S26.9Very low27.4Very low119 Ų119145 Ų14583%0.83278%0.783SS**  trans-148.6128.8169.6-76.90000111.4
1243I26Very low27.4Very low154 Ų154140.7 Ų140.779%0.7977%0.773SS**  trans-138.5113.3177.3-59.5174.7000107.8V1241V1241-I1243 HydrophobicContact CG1-CG1 4.49Å
1244S24.5Very low26.9Very low99 Ų99143.3 Ų143.369%0.69277%0.773SS**  trans177.6124.7157.7-86.40000112.8
1245N27.3Very low27Very low143 Ų143141 Ų14177%0.76576%0.764SS**  55.8163127.8-45.3-25.9000119.6
1246H27.4Very low27.2Very low138 Ų138142.2 Ų142.264%0.63976%0.763SS**  cis-157.5142.35.8-146.3-28.9000112.1Q1248H1246-Q1248 PolarHBondContact ND1-N 3.45Å
1247L30.4Very low27.5Very low163 Ų163142.2 Ų142.285%0.85376%0.762SS**  trans-129143.6132.6-68.8172.2000104.1
1248Q27.7Very low27.8Very low159 Ų159141.5 Ų141.574%0.74376%0.756SS**  cis-149.2139.611.1170.1154-3600108.7H1246H1246-Q1248 PolarHBondContact ND1-N 3.45Å
1249N31.7Very low28.2Very low156 Ų156141.8 Ų141.883%0.83475%0.75SS**  trans179.5154.3159.3-101.6-27.7000111.8
1250D32.9Very low28.4Very low153 Ų153143 Ų14382%0.81875%0.752SS**  trans-143.9104.8167.9-1612.6000109.4
1251L29Very low28.5Very low171 Ų171140 Ų14090%0.89575%0.746SS**  trans-161.4148.3173.8-133.9134.8000110.9
1252I27.3Very low28.4Very low144 Ų144144.2 Ų144.274%0.73875%0.75SS**  trans-110.8147.8-157.7-38.9176.1000111.8
1253T26.9Very low28.2Very low103 Ų103143.5 Ų143.563%0.63274%0.741SS**  trans114.3100.1143.1-48.10000118.7
1254K28Very low28.2Very low174 Ų174144 Ų14476%0.75774%0.739SS**  trans55.6162.5132.7-51176.3-165.2172.70119.2
1255Q28.7Very low28.2Very low140 Ų140146.9 Ų146.965%0.65474%0.739SS**  cis-162.11611.6-134169.1-78.200111
1256N29.3Very low28.5Very low129 Ų129147.2 Ų147.269%0.6974%0.741SS**  trans42.6133.7152-62.6-7.9000120.7
1257M32.5Very low28.7Very low161 Ų161148.7 Ų148.779%0.79375%0.748SS**  -168.6149.567.6-100.2-162.7152.700115.8
1258I32.6Very low28.5Very low125 Ų125149.6 Ų149.664%0.64175%0.745SS**  trans62.298.2140.8-59.4178.2000120.3
1259N28.7Very low28.8Very low130 Ų130153.6 Ų153.670%0.69576%0.756SS**  38131.3111.2-56.3-0.9000122.8
1260N28Very low28.5Very low138 Ų138151.4 Ų151.474%0.73875%0.752SS**  78.7121.2123.2-72.78.1000123.6
1261T27.5Very low28.4Very low116 Ų116149.9 Ų149.971%0.71275%0.754SS**  99.6126.1114.3-71.70000121.9
1262Y23.1Very low28.3Very low214 Ų214147.3 Ų147.384%0.83975%0.745SS**  trans89145150.9-118.8-119000122.3
1263T23.2Very low28.4Very low104 Ų104149.1 Ų149.164%0.63875%0.75SS**  trans-96.1134.4170.449.10000110.7
1264H25.2Very low28.5Very low164 Ų164150.7 Ų150.776%0.75975%0.753SS**  -161.7177.8123.9-129.9-113.6000113.2
1265K25.3Very low29.3Very low159 Ų159148.3 Ų148.369%0.69176%0.755SS**  trans-75.7158.2-176.5-51.1169.4-173178.10112.2
1266D32.6Very low29.9Very low151 Ų151146.8 Ų146.881%0.80776%0.757SS**  -178.1-166.8108.7-84.4-16.8000110.8
1267E32.6Very low30Very low168 Ų168147.3 Ų147.379%0.78576%0.76SS**  trans-102.5164.8-141.6-59.1-167104.600118.9
1268K26.3Very low30.1Very low182 Ų182147 Ų14779%0.79176%0.761SS**  trans-11.4131.5161.1-60.3166179.5164.90117.7
1269Y33.4Very low30.1Very low244 Ų244144.4 Ų144.496%0.95777%0.766SS**  trans-142161.7136-97.8-77.6000110.9
1270S25.8Very low30.4Very low110 Ų110145.1 Ų145.177%0.76978%0.775SS**  trans-127.2142.6-171.9176.70000111.5
1271S31.3Very low30.7Very low121 Ų121144.3 Ų144.385%0.84678%0.78SS**  trans-164.3171.6157.5-155.70000112.2
1272V25.9Very low31.1Very low116 Ų116146.6 Ų146.670%0.70379%0.787SS**  trans-136.8139.6-162.7173.20000112.2
1273H29.3Very low31.9Very low182 Ų182141.5 Ų141.584%0.84378%0.78SS**  trans-164.7159.8149.6-131.4-85.4000114.4
1274I30.4Very low32.6Very low137 Ų137142.7 Ų142.770%0.70379%0.787SS**  trans-140.5141.3-177.2-68.5163.5000110.7
1275P43.2Very low32.8Very low123 Ų123140.8 Ų140.880%0.79979%0.788SS**  trans-148.9159131.138.6-23.2000116.1
1276P41.4Very low33.4Very low109 Ų109139.5 Ų139.571%0.70879%0.792SS**  trans-122171175.842.6-32.6000115.8
1277N32Very low33.4Very low140 Ų140137 Ų13775%0.74979%0.787SS**  trans179166.1132-115.542.6000117.8
1278D35.3Very low33.3Very low153 Ų153136.2 Ų136.282%0.81879%0.787SS**  trans75.5152.5155.2-55.2-21.9000123.8
1279G31.6Very low33.7Very low71 Ų71133.1 Ų133.173%0.73277%0.774SS**  trans172.3-172.5176.600000119.2
1280V34.6Very low33.7Very low145 Ų145127 Ų12788%0.87976%0.757SS**  trans75130.7164.6-168.80000121.8
1281S35.8Very low34.4Very low121 Ų121124.7 Ų124.785%0.84674%0.739SS**  trans-163.7-178.7158.456.20000113.6
1282L35.3Very low34.8Very low164 Ų164124.2 Ų124.286%0.85973%0.727SS**  trans-123.3-176.3-153.7-107.677.4000117.2
1283P40.2Very low35.1Very low107 Ų107123.1 Ų123.170%0.69573%0.725SS**  trans-119.6-177.9-151.446.2-39.5000119.1
1284T36.7Very low35.3Very low129 Ų129119.6 Ų119.679%0.79172%0.721SS**  trans-168.4127.1166.20.10000119.3
1285T30.3Very low35.4Very low125 Ų125118.2 Ų118.277%0.76772%0.723SS**  trans49.1164.5134.154.60000128.5
1286V37.5Very low34.7Very low131 Ų131117.5 Ų117.579%0.79472%0.721SS**  trans101.8164.8159.7-172.50000117
1287S31.7Very low34Very low100 Ų100122.2 Ų122.270%0.69973%0.731SS**  177.5164.7-76.5-73.90000110.5
1288L31.7Very low33.8Very low150 Ų150120.6 Ų120.679%0.78573%0.73SS**  cis-169.6173.4-9.7-110.1171.6000112.8
1289K33.4Very low33.3Very low117 Ų117117.9 Ų117.951%0.50972%0.724SS.*  trans81.9158.2159.6-79.1-174.7168.5-169.90123.6S1095 R1096 N1098S1095-K1289 PolarHBondContact O-NZ 2.84Å; S1095-K1289 VanDerWaalsContact O-NZ 3.1Å; R1096-K1289 VanDerWaalsContact O-CD 3.31Å; R1096-K1289 WeakPolarHBondContact O-CD 3.16Å; R1096-K1289 VanDerWaalsContact O-CE 3.23Å; R1096-K1289 WeakPolarHBondContact O-CE 3.4Å; R1096-K1289 PolarHBondContact O-NZ 3.36Å; N1098-K1289 CarbonylContact O-C 3.06Å
1290L35.1Very low33.2Very low117 Ų117119.7 Ų119.761%0.61373%0.725SS**  trans-154174.9-172.34861.1000110.7D1097 N1098 N1099D1097-L1290 CarbonylContact C-O 3.57Å; N1098-L1290 CarbonylContact C-O 3.53Å; N1098-L1290 PolarHBondContact N-O 3.46Å; N1098-L1290 VanDerWaalsContact O-CA 3.27Å; N1098-L1290 WeakPolarHBondContact O-CA 3.35Å; N1098-L1290 PolarHBondContact O-N 3.14Å; N1099-L1290 WeakPolarHBondContact O-CA 3.16Å
1291P40.8Very low32.8Very low60 Ų60117.5 Ų117.539%0.3972%0.716SS.*  cis-126.2-142.2939.8-16.5000114.7N1099 D1100N1099-P1291 CarbonylContact C-O 3.1Å; N1099-P1291 WeakPolarHBondContact CA-O 3.44Å; N1099-P1291 PolarHBondContact N-O 2.88Å; N1099-P1291 WeakPolarHBondContact O-CA 3.26Å; D1100-P1291 PolarHBondContact N-O 3.47Å
1292D39.4Very low32.4Very low111 Ų111118.7 Ų118.759%0.59471%0.713SS**  180137.868.9-156.28000120.6D1100D1100-D1292 PolarHBondContact OD1-N 3.25Å
1293S31.9Very low32Very low93 Ų93115.1 Ų115.165%0.6570%0.702SS**  trans65.9123.1151.182.40000129.3
1294S33Very low31.5Very low108 Ų108114.3 Ų114.376%0.75570%0.696SS**  97.1124.2127.981.90000128
1295S31.6Very low31.1Very low108 Ų108113.3 Ų113.376%0.75570%0.695SS**  trans105.8124.7132.881.90000126.2
1296S29.4Very low30.8Very low109 Ų109113.3 Ų113.376%0.76269%0.694SS**  trans87.5105.5144.773.30000125.6
1297K26.4Very low30.1Very low207 Ų207111.5 Ų111.590%0.969%0.688SS**  trans25.5133.8130.7-62.8178.7-179176.70119.5
1298S27.5Very low29.9Very low106 Ų106112.2 Ų112.274%0.74169%0.693SS**  cis179.2169.542.549.30000115
1299S26.4Very low29.7Very low97 Ų97110.2 Ų110.268%0.67869%0.692SS**  trans65.490.3148.953.40000122.3
1300S28.4Very low29.4Very low108 Ų108110.5 Ų110.576%0.75571%0.707SS**  92.6132.6110.265.50000124.1
1301S26.7Very low29Very low100 Ų100108.8 Ų108.870%0.69971%0.705SS**  trans75.688.615048.30000121.3
1302N26.9Very low28.5Very low146 Ų146113.6 Ų113.678%0.78173%0.727SS**  51.5109.1120-55.7-6.1000118.5
1303S26.8Very low28Very low89 Ų89115.7 Ų115.762%0.62273%0.733SS**  78.8150.650.596.20000114.2
1304P30.4Very low28Very low90 Ų90119.4 Ų119.458%0.58474%0.744SS**  -140.9-165.1-91.737.1-16.4000115.4
1305S27.9Very low27.9Very low108 Ų108120.8 Ų120.876%0.75574%0.742SS**  trans77.4121.4144.256.90000120.5
1306T23.7Very low27.7Very low124 Ų124124 Ų12476%0.76174%0.742SS**  trans-81.7167.6152.552.40000111.5
1307S23.6Very low27.6Very low93 Ų93129.9 Ų129.965%0.6575%0.749SS**  trans61107.3140.362.30000120.8
1308S27.1Very low27.6Very low116 Ų116126.5 Ų126.581%0.81174%0.741SS**  60.8131.6124.667.20000122.2
1309S27.4Very low27.6Very low108 Ų108131.5 Ų131.576%0.75574%0.744SS**  -157.9139.1129-160.50000112
1310C27.4Very low27.9Very low122 Ų122136 Ų13682%0.82475%0.754SS**  trans56.4155.9156.8-71.60000120.4
1311S26.7Very low27.8Very low82 Ų82136 Ų13657%0.57375%0.749SS**  cis-163138.5-19.3172.30000109.3
1312N30.5Very low27.9Very low160 Ų160137.1 Ų137.186%0.85675%0.752SS**  -174.6151.3117.1-90.3-10.6000112.1
1313H28.3Very low28.2Very low156 Ų156138.2 Ų138.272%0.72276%0.758SS**  trans-99.6133-174.9-81.9-93000111.9
1314I31.5Very low28.2Very low171 Ų171137.3 Ų137.388%0.87776%0.762SS**  trans-122.9136.3132.7-68.1-174.9000107.1
1315L31.6Very low28.3Very low136 Ų136141.2 Ų141.271%0.71278%0.777SS**  trans-94.7157.7179.6-82.8167.8000111.4
1316K27.7Very low28.5Very low175 Ų175143 Ų14376%0.76178%0.779SS**  trans-46.1140.5169.8-52.8163.5-178.2172.10111.1
1317Y27.1Very low29.1Very low233 Ų233145.2 Ų145.291%0.91479%0.785SS**  -134.2160123.8-118-90.7000110.1
1318N25.2Very low29.4Very low137 Ų137147.8 Ų147.873%0.73379%0.791SS**  trans-117.5157.2176.5-66.7-89.3000109
1319R28.1Very low29.8Very low211 Ų211149 Ų14980%0.79679%0.789SS**  trans75.390.5156.7-174.3-148-61.8-99-7.3117.2V1321R1319-V1321 HydrophobicContact CG-CG2 4.06Å
1320E32.1Very low30Very low191 Ų191150.9 Ų150.989%0.89379%0.786SS**  trans-150.4124.5131.5-91.3124.5-148.400103.4
1321V27.7Very low30.3Very low107 Ų107153 Ų15365%0.64879%0.788SS**  cis74.1111.330.6-169.70000112.5R1319R1319-V1321 HydrophobicContact CG-CG2 4.06Å
1322T27.8Very low30.5Very low124 Ų124155 Ų15576%0.76179%0.792SS**  trans53.8119.4175.446.20000114.8
1323D33.1Very low30.7Very low170 Ų170155 Ų15591%0.90979%0.786SS**  -129.717260.4-80.2-42.3000115.4
1324G27.4Very low30.7Very low69 Ų69156.8 Ų156.871%0.71180%0.795SS**  trans-126.6149-175.900000113.8
1325L33.4Very low30.6Very low172 Ų172156.2 Ų156.290%0.90179%0.786SS**  trans-119.8104.3150.3-76.9177.9000107.6L1327L1325-L1327 PolarHBondContact O-N 3.05Å
1326D30.7Very low30.5Very low146 Ų146155.1 Ų155.178%0.78178%0.781SS**  trans-86.392.1-177.4-16910.6000110
1327L36.6Very low30.6Very low170 Ų170155.4 Ų155.489%0.8979%0.79SS**  trans-134.746.6175.1-73.1179.2000111.6L1325L1325-L1327 PolarHBondContact O-N 3.05Å
1328N30.9Very low30.6Very low148 Ų148150.2 Ų150.279%0.79178%0.775SS**SBendtrans-106.4119.4155.3-167.412.7000110
1329N34.3Very low30.8Very low141 Ų141150.6 Ų150.675%0.75477%0.772SS**  trans-67143.1-164.4-151.8-3.7000112.1N1331N1329-N1331 PolarHBondContact O-N 2.94Å
1330Q31.6Very low30.9Very low148 Ų148148 Ų14869%0.69278%0.775SS**  trans-41.3105.8176.7-74.2169.6-12.700113.3I1332Q1330-I1332 HydrophobicContact CB-CD1 3.99Å; Q1330-I1332 HydrophobicContact CB-CG1 3.94Å; Q1330-I1332 HydrophobicContact CG-CD1 4.15Å; Q1330-I1332 HydrophobicContact CG-CG1 4.34Å; Q1330-I1332 PolarHBondContact O-N 2.99Å; Q1330-I1332 VanDerWaalsContact OE1-CD1 3.26Å
1331N33.9Very low30.7Very low165 Ų165146.8 Ų146.888%0.88277%0.773SS**  trans-75.365.7152.9-115.3-25000107.8N1329 E1333N1329-N1331 PolarHBondContact O-N 2.94Å; N1331-E1333 PolarHBondContact O-N 2.63Å
1332I30.4Very low30.8Very low126 Ų126148.2 Ų148.265%0.64678%0.777SS**  trans-61.7126.9173-88.1163.7000108Q1330 H1334Q1330-I1332 HydrophobicContact CB-CD1 3.99Å; Q1330-I1332 HydrophobicContact CB-CG1 3.94Å; Q1330-I1332 HydrophobicContact CG-CD1 4.15Å; Q1330-I1332 HydrophobicContact CG-CG1 4.34Å; Q1330-I1332 PolarHBondContact O-N 2.99Å; Q1330-I1332 VanDerWaalsContact OE1-CD1 3.26Å; I1332-H1334 PolarHBondContact O-N 2.81Å
1333E35.2Very low31Very low158 Ų158149.9 Ų149.974%0.73878%0.782SS**  trans-62.9130.1-165.8-49.2178.5133.800111N1331 F1335N1331-E1333 PolarHBondContact O-N 2.63Å; E1333-F1335 HydrophobicContact CB-CB 3.93Å; E1333-F1335 PolarHBondContact O-N 2.88Å
1334H28.9Very low30.9Very low194 Ų194150 Ų15090%0.89877%0.774SS**  trans-75.455.6164.2-169-73000109.9I1332I1332-H1334 PolarHBondContact O-N 2.81Å
1335F28.8Very low31.1Very low160 Ų160153.1 Ų153.170%0.70277%0.774SS**  trans-106.191.2-176.7-127.4-92.1000111.7E1333E1333-F1335 HydrophobicContact CB-CB 3.93Å; E1333-F1335 PolarHBondContact O-N 2.88Å
1336N30.3Very low30.7Very low113 Ų113151 Ų15160%0.60476%0.764SS**  trans46.395.8152.5-60.2-57000117M1338N1336-M1338 PolarHBondContact O-N 2.86Å
1337L29.6Very low30.8Very low180 Ų180151.2 Ų151.294%0.94277%0.765SS**  trans-59.895.5148.1176.358.6000108.6
1338M26.8Very low30.2Very low124 Ų124149.6 Ų149.661%0.61176%0.757SS**  trans-67.7147.5171.4-82.8-101.36000110.8N1336N1336-M1338 PolarHBondContact O-N 2.86Å
1339H29.1Very low30.2Very low145 Ų145148.9 Ų148.967%0.67175%0.751SS**  trans55.3101.1164.7-62.7-66.6000117.9
1340N29.7Very low30Very low157 Ų157148.3 Ų148.384%0.8475%0.748SS**  -142.681.4110.4-135.4-34.8000112.9N1342N1340-N1342 PolarHBondContact O-N 3.48Å
1341L28.6Very low29.8Very low166 Ų166148.4 Ų148.487%0.86975%0.748SS**  trans-8684.9165.5-82.7174.2000108.9
1342N30.4Very low29.7Very low137 Ų137148.5 Ų148.573%0.73374%0.743SS**  trans-149.968.1168-151.815.4000115.3N1340N1340-N1342 PolarHBondContact O-N 3.48Å
1343N32.4Very low29.7Very low159 Ų159150.1 Ų150.185%0.8575%0.747SS**  -143.9130.1122.4-150.7-14.5000110.9
1344K30.1Very low29.5Very low173 Ų173150.4 Ų150.475%0.75275%0.753SS**  trans-134.695.3-176.7177.9-170.4176.5-1790108.5
1345N30.7Very low29.5Very low133 Ų133145 Ų14571%0.71174%0.742SS**  trans-173.6115.7153.6-90.3-28.1000107
1346N26.5Very low29.4Very low129 Ų129147.3 Ų147.369%0.6975%0.748SS**  79.782.877-692.8000112.9
1347N31.7Very low29.4Very low149 Ų149147.9 Ų147.980%0.79775%0.751SS**  -163.1137.2116.3-83.4-30.2000107.4
1348N24.9Very low29.4Very low137 Ų137143.9 Ų143.973%0.73374%0.738SS**  60.1121.865.2-86.822.1000111.9
1349M30Very low29.3Very low133 Ų133148.4 Ų148.466%0.65575%0.75SS**  cis-149.6179.64.6-87.1-64.9-75.900110.6
1350N29.9Very low29.4Very low129 Ų129148 Ų14869%0.6976%0.757SS**  trans70.2120.3176.4-65.624.4000114.9
1351E28.2Very low29.2Very low150 Ų150143.7 Ų143.770%0.70175%0.75SS**  cis91144.436.8-64.7-174.6168.300114.5
1352H31.6Very low29.3Very low166 Ų166146.6 Ų146.677%0.76975%0.75SS**  trans73.897.5-165.9-58.1-80.4000115
1353H30Very low29.3Very low160 Ų160150 Ų15074%0.74175%0.752SS**  92.7118.352.3-87.9-81.5000114.1
1354L30.7Very low29.1Very low165 Ų165151.8 Ų151.886%0.86475%0.749SS**  trans68.2148.6161.4-55.7162.3000116.1
1355A29.4Very low29Very low80 Ų80149.2 Ų149.266%0.66175%0.752SS**  cis-159.9143.8-28.100000110.6
1356Y26.4Very low29.1Very low208 Ų208149.5 Ų149.582%0.81675%0.754SS**  trans50.4114.4148.2-90.2-115.2000121.6
1357N30.8Very low29.2Very low126 Ų126151.1 Ų151.167%0.67476%0.762SS**  trans85.597.7132.4-69.58.8000122.6
1358S29.1Very low29.1Very low96 Ų96154.4 Ų154.467%0.67177%0.765SS**  71.3114.8107-58.60000121.9
1359Y24.4Very low29.4Very low219 Ų219156.1 Ų156.186%0.85977%0.769SS**  47.7101.7128-87-97000118.5
1360T31.1Very low29.4Very low135 Ų135157.9 Ų157.983%0.82878%0.775SS**  -177.2158.590.126.10000112
1361G26.6Very low29.2Very low67 Ų67155 Ų15569%0.69177%0.765SS**  trans-73.2162.1159.500000110.9
1362R31.2Very low29Very low227 Ų227153.5 Ų153.586%0.85776%0.756SS**  cis-146.4148.833-50176.2-172.6-177.11.2111.8
1363R29.9Very low29Very low210 Ų210154.2 Ų154.279%0.79276%0.757SS**  trans35.7132136.6-53.2174.5-170.6175.80.7117.7
1364Y27.3Very low29.2Very low196 Ų196153.6 Ų153.677%0.76976%0.759SS**  cis-124150.228.1-82.2-110.1000113.7
1365S29.2Very low29.4Very low118 Ų118151.2 Ų151.283%0.82576%0.756SS**  trans-108.3118.1153-630000106.6
1366D31.4Very low30.4Very low140 Ų140155.4 Ų155.475%0.74976%0.761SS**  trans-102.398166.4-75.4-30.8000108.3
1367N29.3Very low31.4Very low162 Ų162151.3 Ų151.387%0.86675%0.753SS**  trans-169.3133.6151.2-98.9-26.4000109.7
1368Y29.3Very low31.9Very low219 Ų219153.7 Ų153.786%0.85977%0.766SS**  trans-119.1178.5147.5-150.3-93.9000107
1369E30.9Very low32.5Very low173 Ų173154.3 Ų154.381%0.80877%0.77SS**  trans72.773180-55.8-164.5-16600115.7
1370H30.4Very low33.1Very low170 Ų170150.9 Ų150.979%0.78777%0.767SS**  -92.6116.1115.5-123.5-87.2000109
1371S26.3Very low33.2Very low68 Ų68151.9 Ų151.948%0.47677%0.767SS.*  trans38.2153.9138.1690000122.7
1372K24.1Very low33.5Very low119 Ų119155.4 Ų155.452%0.51777%0.768SS.*  trans68.1112.5159.4-60.2168.5-170.31780114.7D848D848-K1372 IonicContact OD1-NZ 2.87Å; D848-K1372 PolarHBondContact OD1-NZ 3.35Å; D848-K1372 IonicContact OD2-NZ 3.49Å; D848-K1372 PolarHBondContact OD2-NZ 3.27Å
1373F31.7Very low33.5Very low181 Ų181150.1 Ų150.179%0.79476%0.763SS**  cis-150.5140.68-84.9-76.7000114.1
1374L33.9Very low33.4Very low147 Ų147146 Ų14677%0.7777%0.766SS**  trans30.3116149.3-9363.8000122.2H1376L1374-H1376 PolarHBondContact O-N 2.93Å
1375S35.2Very low33.4Very low115 Ų115142 Ų14280%0.80476%0.762SS**  54.957.5118.6-1710000117.7
1376H49.3Very low33.7Very low168 Ų168141.7 Ų141.778%0.77876%0.756SS**  trans-140.6153.9165.6-90.936.7000108L1374L1374-H1376 PolarHBondContact O-N 2.93Å
1377N48.4Very low33.3Very low121 Ų121138 Ų13865%0.64775%0.751SS**  cis-159.9143.8-24.3-117.7-17.7000107.5
1378N41.4Very low33.5Very low176 Ų176137.2 Ų137.294%0.94175%0.747SS**  trans-104.4114171.8-78.7-30.2000109.4
1379S41.2Very low33.2Very low109 Ų109131.1 Ų131.176%0.76273%0.734SS**  trans-129.9154.9-173.254.40000113.3
1380N36.4Very low32.8Very low147 Ų147129.1 Ų129.179%0.78673%0.728SS**  trans-71.9-177.4176.5-60.2-62.6000112.9
1381L35.1Very low32.7Very low157 Ų157131.4 Ų131.482%0.82273%0.731SS**  trans81.8115.2168.6-66.7122.8000114.9
1382I32.5Very low32.8Very low141 Ų141133.6 Ų133.672%0.72374%0.738SS**SBendcis-141.1159.3-6.6-5.3178.9000108.5S1384I1382-S1384 PolarHBondContact O-N 3.26Å
1383P30.6Very low33.2Very low116 Ų116131.8 Ų131.875%0.75374%0.737SS**  trans-22102.6-14213.4-31.5000115.5T1385P1383-T1385 PolarHBondContact O-N 3.47Å
1384S27.2Very low33.2Very low123 Ų123127.1 Ų127.186%0.8673%0.727SS**  trans-65.991.4-165.9169.10000113.8I1382I1382-S1384 PolarHBondContact O-N 3.26Å
1385T28.3Very low33.1Very low111 Ų111122.5 Ų122.568%0.68170%0.701SS**  trans-143.1170.1168.360.70000111.9P1383P1383-T1385 PolarHBondContact O-N 3.47Å
1386T34.2Very low33Very low112 Ų112120.3 Ų120.369%0.68768%0.683SS**  trans58.790.6150.145.70000118.1
1387G24.2Very low32.2Very low63 Ų63118.3 Ų118.365%0.64968%0.676SS**  cis55.256.8-14.500000116.3P1389G1387-P1389 VanDerWaalsContact C-N 3.29Å; G1387-P1389 WeakPolarHBondContact O-CD 3.49Å
1388N32.8Very low31.3Very low145 Ų145114 Ų11478%0.77566%0.661SS**  -55.98599.9-60.16.2000114.9
1389P23.4Very low30.8Very low91 Ų91110.1 Ų110.159%0.59164%0.64SS**  -68.8171.1125.141.5-34000107.8G1387G1387-P1389 VanDerWaalsContact C-N 3.29Å; G1387-P1389 WeakPolarHBondContact O-CD 3.49Å
1390L22Very low30.3Very low131 Ų131109.3 Ų109.369%0.68662%0.624SS**  trans54.270.6162.3-57.9-179000115.8N1392L1390-N1392 HydrophobicContact CB-CB 4.16Å; L1390-N1392 HydrophobicContact CD2-CB 4.22Å; L1390-N1392 PolarHBondContact O-N 3.36Å
1391Y29.6Very low29.9Very low218 Ų218108.1 Ų108.186%0.85563%0.626SS**  -66.496.2117.8-122.5-57.7000105.9V1393Y1391-V1393 HydrophobicContact CD1-CG2 3.79Å; Y1391-V1393 PolarHBondContact O-N 2.91Å
1392N28Very low29.6Very low114 Ų114105.7 Ų105.761%0.6161%0.61SS**  trans-7889.9-176.1-163.923.8000108.8L1390L1390-N1392 HydrophobicContact CB-CB 4.16Å; L1390-N1392 HydrophobicContact CD2-CB 4.22Å; L1390-N1392 PolarHBondContact O-N 3.36Å
1393V31.5Very low29.6Very low82 Ų82107 Ų10750%0.49762%0.617SS.*  trans-137.5115-175.5-179.80000108.7Y1391 K1640Y1391-V1393 HydrophobicContact CD1-CG2 3.79Å; Y1391-V1393 PolarHBondContact O-N 2.91Å; V1393-K1640 VanDerWaalsContact CG1-NZ 3.33Å
1394S32.7Very low29.5Very low83 Ų83105.9 Ų105.958%0.5861%0.608SS**  trans73.166.9-170.4-17.30000113.2K1640S1394-K1640 WeakPolarHBondContact OG-CE 3.48Å; S1394-K1640 PolarHBondContact OG-NZ 3.26Å
1395E31Very low29.9Very low49 Ų49107.4 Ų107.423%0.22961%0.605CS.*  cis67.1107.535-152.8-151.7139.200110.7S1637 K1640E1395-S1637 WeakPolarHBondContact OE1-CA 2.84Å; E1395-K1640 CarbonylContact C-O 3.15Å; E1395-K1640 HydrophobicContact CB-CB 3.82Å; E1395-K1640 HydrophobicContact CB-CD 4.24Å; E1395-K1640 HydrophobicContact CG-CB 3.85Å; E1395-K1640 VanDerWaalsContact CG-O 3.26Å; E1395-K1640 WeakPolarHBondContact CG-O 3.19Å; E1395-K1640 WeakPolarHBondContact OE1-CB 3.23Å; E1395-K1640 VanDerWaalsContact OE1-O 3.08Å; E1395-K1640 WeakPolarHBondContact OE2-CB 3.23Å; E1395-K1640 VanDerWaalsContact OE2-CD 3.32Å; E1395-K1640 WeakPolarHBondContact OE2-CD 3.38Å
1396T33Very low30Very low70 Ų70107.3 Ų107.343%0.42961%0.609SS.*  trans64.2158-179.654.70000124.1K1640 E1641 P1642T1396-K1640 VanDerWaalsContact CB-O 3.25Å; T1396-K1640 WeakPolarHBondContact CB-O 3.01Å; T1396-K1640 WeakPolarHBondContact CG2-O 3.45Å; T1396-K1640 WeakPolarHBondContact OG1-CA 3.49Å; T1396-K1640 PolarHBondContact OG1-O 2.9Å; T1396-E1641 HydrophobicContact CG2-CB 4.21Å; T1396-E1641 HydrophobicContact CG2-CG 3.45Å; T1396-E1641 VanDerWaalsContact CG2-CG 3.45Å; T1396-P1642 VanDerWaalsContact OG1-CD 3.23Å; T1396-P1642 WeakPolarHBondContact OG1-CD 3.4Å
1397I33.8Very low29.9Very low125 Ų125110.9 Ų110.964%0.64162%0.615SS**  cis-120.6140.621.6-47.9178.8000114.3P1642I1397-P1642 HydrophobicContact CB-CG 4.39Å; I1397-P1642 HydrophobicContact CD1-CG 3.8Å; I1397-P1642 HydrophobicContact CG1-CG 3.66Å; I1397-P1642 HydrophobicContact CG2-CG 4.04Å
1398G28.2Very low30.4Very low31 Ų31119.1 Ų119.132%0.3263%0.626SS.*  trans-95.1152.6171.200000113.3Q1645G1398-Q1645 VanDerWaalsContact C-CD 3.49Å; G1398-Q1645 WeakPolarHBondContact O-CG 3.18Å
1399N32.4Very low30.5Very low95 Ų95119.8 Ų119.851%0.50863%0.625SS.*  trans-146.6150.9163.9-105.1-74.5000110.5Q1645 S1646N1399-Q1645 VanDerWaalsContact N-OE1 3.14Å; N1399-Q1645 WeakPolarHBondContact OD1-CA 2.86Å; N1399-S1646 PolarHBondContact OD1-N 3.35Å; N1399-S1646 PolarHBondContact OD1-OG 2.8Å
1400H29.7Very low31.1Very low91 Ų91121.7 Ų121.742%0.42163%0.63SS.*  trans-83.9136.5-171-76.79000113.9Q1645 D1647H1400-Q1645 PolarHBondContact CE1-OE1 2.91Å; H1400-Q1645 PolarHBondContact ND1-OE1 3.24Å; H1400-D1647 WeakPolarHBondContact CB-OD1 3.26Å; H1400-D1647 IonicContact CD2-OD1 3.75Å; H1400-D1647 PolarHBondContact CD2-OD1 2.83Å; H1400-D1647 IonicContact CD2-OD2 3.69Å; H1400-D1647 IonicContact CG-OD1 3.74Å
1401C28Very low31.5Very low122 Ų122122.7 Ų122.782%0.82464%0.636SS**  trans-142.1107.2156.4-79.10000106.1
1402H29.2Very low31.5Very low107 Ų107117.7 Ų117.750%0.49563%0.628SS.*  cis82.142.440.6-146.7-55.6000115.5D1647H1402-D1647 IonicContact CD2-OD1 2.71Å
1403I32.1Very low31.6Very low169 Ų169118.7 Ų118.787%0.86764%0.639SS**  trans-77.1144.4167.3-64.1176.2000110.9
1404T29.1Very low31.4Very low91 Ų91121.1 Ų121.156%0.55865%0.647SS**  trans-137.9126.4-177.3-710000112.1
1405I34.1Very low31.4Very low155 Ų155122.7 Ų122.780%0.79565%0.654SS**  trans57.2118.2164.9-60.8165.3000117.4
1406S31.5Very low31.3Very low109 Ų109127.3 Ų127.376%0.76268%0.68SS**  trans-156.4134.2155-980000116
1407K31.2Very low31Very low187 Ų187131.5 Ų131.581%0.81370%0.699SS**  trans31.999.7146.6-60.1174.6-176.4170.50119.5
1408R35.5Very low30.8Very low236 Ų236133.9 Ų133.989%0.89171%0.707SS**  -167.3133.4126.8-103.4162.3-157.2-1426.3108.3
1409Q35.1Very low30.8Very low159 Ų159136.7 Ų136.774%0.74372%0.722SS**  cis68.8100.937.1-155.6165.83.300108.6
1410D36Very low30.5Very low132 Ų132139.8 Ų139.871%0.70674%0.737SS**  cis-145.1-177.636.5-73-67.9000115.8
1411N30.6Very low30.4Very low152 Ų152141.6 Ų141.681%0.81375%0.75SS**  trans7260160.2-65-24.5000119.3
1412T28.4Very low30.3Very low112 Ų112142 Ų14269%0.68774%0.743SS**  trans-6.3115.1142.949.60000119.4I1414T1412-I1414 HydrophobicContact CG2-CD1 4.13Å
1413T30.7Very low30.3Very low136 Ų136143.4 Ų143.483%0.83476%0.755SS**  trans-164.997.4133.6-65.60000106
1414I27.9Very low30.3Very low132 Ų132140 Ų14068%0.67775%0.746SS**  60.988.559.7-49.4173.1000109.5T1412T1412-I1414 HydrophobicContact CG2-CD1 4.13Å
1415T32.5Very low30.4Very low116 Ų116143.7 Ų143.771%0.71276%0.762SS**  -160.8165.463.944.50000112.8
1416N29.2Very low30.1Very low146 Ų146141.4 Ų141.478%0.78176%0.759SS**  trans53.6134.9153.7-71.43.6000119.4
1417L26Very low30Very low158 Ų158143.1 Ų143.183%0.82777%0.765SS**  cis51.66923.8-76.6176.4000115
1418Q30.7Very low30Very low176 Ų176139.4 Ų139.482%0.82275%0.749SS**  -175.9150.7109.4-103.8-176.4-14.100114.4
1419S28Very low29.6Very low89 Ų89133.3 Ų133.362%0.62273%0.733SS**  trans51.1109.5149.9-53.70000118.5
1420I25.9Very low29.3Very low160 Ų160132.1 Ų132.182%0.82174%0.736SS**  39.2101.787.2-50.2169.1000112.2
1421N26.6Very low29.2Very low130 Ų130129.7 Ų129.770%0.69573%0.73SS**  -173.9128.3102.5-147.45.7000114.3
1422N26Very low29Very low129 Ų129128.1 Ų128.169%0.6973%0.726SS**  trans59145.2151-71.7-18.8000124.5
1423N29.7Very low29.1Very low138 Ų138127.8 Ų127.874%0.73872%0.724SS**  trans80.479.8150.6-64-2.3000121.6
1424S31.7Very low29Very low96 Ų96127 Ų12767%0.67172%0.721SS**  52.1110.6115.765.10000121.2
1425N32.1Very low29Very low169 Ų169128.5 Ų128.590%0.90472%0.723SS**  -173.7162.8118.9-95.1-41.8000111.8
1426C27.5Very low28.8Very low108 Ų108128 Ų12873%0.7372%0.724SS**  trans-109.5141.6-166.4-55.10000114.4
1427T29.6Very low28.7Very low144 Ų144128.5 Ų128.588%0.88373%0.726SS**  trans-178.8161.9153.2-88.80000111.5
1428K29.8Very low28.8Very low110 Ų110126.2 Ų126.248%0.47872%0.723SS.*  176.589.5-59.2173.3-178.3163.4-175.80110.2K278 P279K278-K1428 PolarHBondContact O-NZ 3.03Å; P279-K1428 HydrophobicContact CB-CD 3.87Å
1429I28.2Very low28.6Very low107 Ų107127.7 Ų127.755%0.54972%0.723SS.*  trans72.8135167.1-43.3152.8000117.5R280R280-I1429 VanDerWaalsContact NH1-CD1 3.27Å
1430T29Very low28.8Very low134 Ų134130.6 Ų130.682%0.82273%0.726SS**  trans-149.1143.3159-54.20000105.8
1431S32.5Very low29.4Very low82 Ų82128.8 Ų128.857%0.57372%0.718SS**  cis-172.9160.7-31.961.80000105.5
1432T27.7Very low29.7Very low118 Ų118128.2 Ų128.272%0.72472%0.721SS**  trans36.9134.4138.260.90000120.7
1433T30.9Very low30.4Very low106 Ų106128.2 Ų128.265%0.6572%0.722SS**  -122149.552.654.30000114F1435T1433-F1435 HydrophobicContact CG2-CD2 3.81Å; T1433-F1435 HydrophobicContact CG2-CE2 3.57Å
1434P27.1Very low31.2Very low119 Ų119128 Ų12877%0.77373%0.726SS**  -121.1155.791.536.5-35.2000114.6
1435F27.7Very low31.2Very low163 Ų163129.2 Ų129.272%0.71572%0.722SS**  trans-107.4156160.6-72.8-84.2000107.8T1433T1433-F1435 HydrophobicContact CG2-CD2 3.81Å; T1433-F1435 HydrophobicContact CG2-CE2 3.57Å
1436S29.6Very low31.7Very low105 Ų105127.5 Ų127.573%0.73471%0.713SS**  cis-141131.927.9-61.80000115.1
1437L26.7Very low32.6Very low158 Ų158130.6 Ų130.683%0.82772%0.716SS**  43.6100.3128.8-63.6157.5000119.4
1438S27.3Very low32.7Very low109 Ų109129 Ų12976%0.76270%0.702SS**  trans-159.2113.5147.3-168.70000113.1
1439Y28Very low32.9Very low208 Ų208130.5 Ų130.582%0.81671%0.714SS**  trans58.8149.9151.9-84.4-85.5000125.6
1440H32.2Very low33.7Very low150 Ų150129.5 Ų129.569%0.69471%0.714SS**  trans71.397.9155.8-81.9-63.6000123.6
1441D37.3Very low34Very low121 Ų121133 Ų13365%0.64771%0.712SS**  100.3105.6114.4-116.6-66.4000120.7
1442P33Very low33.9Very low118 Ų118134.7 Ų134.777%0.76671%0.714SS**  trans-109.3103.8-178.137.3-27000113.6
1443N41.8Very low34.2Very low130 Ų130137.7 Ų137.770%0.69573%0.725SS**  trans-143.63171.8-120.1-35.6000118.3
1444T45.4Very low34.5Very low134 Ų134135.8 Ų135.882%0.82272%0.716SS**SBendtrans-128.727.6-173.8-23.20000115.9
1445M32.7Very low34.9Very low121 Ų121138 Ų13860%0.59672%0.718SS**  trans-130.419.3161.3-142.4-165-62.100115.1Q1447 L1448 L1449M1445-Q1447 CarbonylContact O-C 3.57Å; M1445-Q1447 PolarHBondContact O-N 3.36Å; M1445-L1448 PolarHBondContact O-N 3.28Å; M1445-L1449 PolarHBondContact O-N 2.62Å; M1445-L1449 HydrophobicContact SD-CD1 3.85Å
1446N42.9Very low35.1Very low133 Ų133135.8 Ų135.871%0.71172%0.72SS**THydrogen-bonded Turntrans-64.4-9.8154.7-87.1-37.8000112.2L1448 T1450N1446-L1448 VanDerWaalsContact C-N 3.32Å; N1446-L1448 PolarHBondContact O-N 3.24Å; N1446-T1450 PolarHBondContact O-OG1 3.35Å
1447Q44.8Very low35.1Very low172 Ų172135 Ų13580%0.80472%0.72SS**THydrogen-bonded Turntrans-87.571.4156.6-61.5-169.416.100110.3M1445M1445-Q1447 CarbonylContact O-C 3.57Å; M1445-Q1447 PolarHBondContact O-N 3.36Å
1448L31.8Very low35.3Very low112 Ų112133.6 Ų133.659%0.58672%0.718SS**THydrogen-bonded Turntrans92.647.5163.5-51173.2000120.2M1445 N1446 T1450 R1451M1445-L1448 PolarHBondContact O-N 3.28Å; N1446-L1448 VanDerWaalsContact C-N 3.32Å; N1446-L1448 PolarHBondContact O-N 3.24Å; L1448-T1450 VanDerWaalsContact C-N 3.25Å; L1448-T1450 PolarHBondContact N-OG1 3.18Å; L1448-R1451 HydrophobicContact CD2-CB 4.03Å; L1448-R1451 HydrophobicContact CD2-CG 3.94Å
1449L35.3Very low35.4Very low140 Ų140136.5 Ų136.573%0.73372%0.719SS**SBend-82.3-11.1122.8-124.781.7000112.4M1445 R1451M1445-L1449 PolarHBondContact O-N 2.62Å; M1445-L1449 HydrophobicContact SD-CD1 3.85Å; L1449-R1451 PolarHBondContact O-N 3.34Å; L1449-R1451 VanDerWaalsContact O-N 3.09Å
1450T43.5Very low35.5Very low87 Ų87136 Ų13653%0.53472%0.717SS.*THydrogen-bonded Turntrans-66.90178.6-70000115.1N1446 L1448N1446-T1450 PolarHBondContact O-OG1 3.35Å; L1448-T1450 VanDerWaalsContact C-N 3.25Å; L1448-T1450 PolarHBondContact N-OG1 3.18Å
1451R36.6Very low35.2Very low208 Ų208133.9 Ų133.979%0.78572%0.719SS**THydrogen-bonded Turntrans-142.8104.9166-68.4-163.3175.8177.60.9112.2L1448 L1449L1448-R1451 HydrophobicContact CD2-CB 4.03Å; L1448-R1451 HydrophobicContact CD2-CG 3.94Å; L1449-R1451 PolarHBondContact O-N 3.34Å; L1449-R1451 VanDerWaalsContact O-N 3.09Å
1452L30Very low34.6Very low117 Ų117139.6 Ų139.661%0.61373%0.732SS**THydrogen-bonded Turncis-162.3103.9-16.6-119.5151.7000107.1S1454L1452-S1454 WeakPolarHBondContact CD2-OG 3.18Å
1453N34.1Very low34.7Very low181 Ų181139.2 Ų139.297%0.96873%0.729SS**  trans-95.582.6157.5-106.2-3.7000107.7
1454S37.5Very low34.1Very low66 Ų66138.9 Ų138.946%0.46273%0.728SS.*  trans-127.515216276.30000108.3L1452L1452-S1454 WeakPolarHBondContact CD2-OG 3.18Å
1455M34.1Very low33.4Very low164 Ų164139.7 Ų139.781%0.80872%0.722SS**SBendtrans81.4140.9-179.3-55.1-56107.700113.5
1456P32.8Very low33.4Very low117 Ų117137.7 Ų137.776%0.7672%0.72SS**  -131.7179.3-113.942.5-30.1000115.1
1457A30.3Very low32.8Very low88 Ų88141.4 Ų141.473%0.72772%0.724SS**  trans-71.1171.8165.100000112.9
1458T29.5Very low32.2Very low129 Ų129138.8 Ų138.879%0.79172%0.716SS**  trans-49133172.449.20000114.5
1459H30.9Very low32Very low170 Ų170140.1 Ų140.179%0.78772%0.721SS**  trans-162.8128.2147.5-107.2-83.6000112.4
1460Y28.6Very low31.7Very low197 Ų197140 Ų14077%0.77372%0.719SS**  trans54.7110.1144.9-79.1-124.1000121.8
1461S25.6Very low31Very low106 Ų106145.5 Ų145.574%0.74173%0.73SS**  45.6135.9105.4-52.20000122.9
1462R26.5Very low30.7Very low242 Ų242140 Ų14091%0.91372%0.72SS**  trans92.3151.1153.9-85.2-169.8167.3175.5-3.2120.1
1463P33.5Very low30.9Very low109 Ų109142.1 Ų142.171%0.70873%0.726SS**  trans-78.1175.817938.6-39.5000111.3
1464D30Very low30.8Very low124 Ų124138.9 Ų138.966%0.66372%0.718SS**  cis-163.217046.6-148.8-6.2000116.7
1465Q31.4Very low30.2Very low151 Ų151142.3 Ų142.371%0.70674%0.741SS**  trans0.7148.9153.4-82.3168.688.400120.5
1466S32Very low30.2Very low78 Ų78140.2 Ų140.255%0.54574%0.742SS.*  cis-175.3165.89.350.80000113.6
1467R30.9Very low29.9Very low211 Ų211146.4 Ų146.480%0.79675%0.75SS**  trans61.3152.7151.3-68157.5-170.4174.25.5117.2
1468N30.5Very low29.9Very low118 Ų118145.4 Ų145.463%0.63175%0.749SS**  cis-148128.5-0.4-113.5-0.4000107.3
1469M28Very low29.9Very low140 Ų140149.2 Ų149.269%0.6975%0.754SS**  74.5143.591.1-77.9-146.3-6100117.9
1470I29.6Very low29.7Very low138 Ų138145.2 Ų145.271%0.70875%0.745SS**  trans74.7133.1151.5-74.6163.6000115.8
1471R27.8Very low29.9Very low201 Ų201147 Ų14776%0.75875%0.751SS**  cis-158.5147.43.5-126-176.4-169.5-169.13112.7
1472T30.2Very low30.1Very low93 Ų93150.5 Ų150.557%0.57175%0.749SS**  trans21.5145.1134.461.70000121.4
1473H34.9Very low30.1Very low161 Ų161149 Ų14975%0.74575%0.745SS**  -167.7172.955.2-90.6-70.9000114.1
1474S32.6Very low29.9Very low114 Ų114148.7 Ų148.780%0.79775%0.745SS**  trans82.1110.8149.3-64.70000120.9
1475C25.1Very low30Very low138 Ų138151.6 Ų151.693%0.93275%0.754SS**  trans-104.7141.9159.9-53.20000110.9
1476S33.1Very low30Very low119 Ų119148.2 Ų148.283%0.83276%0.76SS**  trans-161.9157.9165.357.20000111.7
1477R27.9Very low30Very low247 Ų247150.5 Ų150.593%0.93278%0.776SS**  cis177111.9-42.4165.9175.1170.2176.8-3.3107.2
1478G29.9Very low29.9Very low68 Ų68145.5 Ų145.570%0.70178%0.78SS**  trans133.1117.3173.900000111.3
1479K29.1Very low29.8Very low209 Ų209145.3 Ų145.391%0.90979%0.788SS**  cis83.9104.144.6-71.9-159.1171.5-1700115.6
1480S26.3Very low30.1Very low85 Ų85145 Ų14559%0.59479%0.794SS**  trans67.6117.1135.5-164.70000121
1481R32.9Very low30.3Very low236 Ų236144.1 Ų144.189%0.89180%0.796SS**  170.5158.6118-90.3167.6-68.5174.12.2111.3
1482Y30.4Very low30.5Very low179 Ų179142 Ų14270%0.70280%0.8SS**  cis-176.6112.9-35.3-135.4-100.1000106.7
1483Y26.4Very low30.7Very low210 Ų210142.8 Ų142.882%0.82481%0.807SS**  trans58167.7163.8-69.8-106.3000117.2
1484S29.6Very low30.4Very low102 Ų102139.9 Ų139.971%0.71381%0.81SS**  cis-149.9152.114-1600000112.6
1485H32Very low30.2Very low185 Ų185139.5 Ų139.586%0.85681%0.808SS**PPolyproline II helixtrans-92.7134.9160.1-75.2-94.6000109.4
1486G30.8Very low30.4Very low80 Ų80138.5 Ų138.583%0.82580%0.8SS**PPolyproline II helixtrans-91.9120.3176.700000111.6
1487S31.7Very low30Very low127 Ų127139.2 Ų139.289%0.88880%0.799SS**PPolyproline II helixtrans-76.4131.4176.6-56.10000111.7
1488A29.6Very low30Very low106 Ų106136.7 Ų136.788%0.87679%0.789SS**  trans-124.686.3170.600000109.5
1489S28.5Very low29.7Very low114 Ų114138.5 Ų138.580%0.79779%0.791SS**  trans-150.1131.8169.4-175.80000107.9
1490V32.8Very low29.4Very low134 Ų134138.8 Ų138.881%0.81279%0.787SS**PPolyproline II helixtrans-86.9137.31761770000107.9
1491P34.2Very low29.3Very low118 Ų118138.7 Ų138.777%0.76679%0.786SS**PPolyproline II helixtrans-77.8126.7-179.4-2.919.9000110.8
1492D33.3Very low29Very low157 Ų157131 Ų13184%0.8477%0.768SS**PPolyproline II helixtrans-87.1140.2162.1-123.3-18000109.4A1494D1492-A1494 PolarHBondContact O-N 2.82Å
1493P33.4Very low28.8Very low110 Ų110128.7 Ų128.771%0.71477%0.767SS**  trans-86.6115.7-164.731.9-33.4000113.5S1495P1493-S1495 PolarHBondContact O-N 2.68Å
1494A29.5Very low28.7Very low99 Ų99122.9 Ų122.982%0.81876%0.757SS**  trans-65.3130.1159.300000109.9D1492D1492-A1494 PolarHBondContact O-N 2.82Å
1495S28.1Very low28.6Very low106 Ų106123.8 Ų123.874%0.74176%0.763SS**  trans-68.5148-171.5-720000113.7P1493 V1497P1493-S1495 PolarHBondContact O-N 2.68Å; S1495-V1497 PolarHBondContact O-N 2.86Å
1496P29Very low28.6Very low118 Ų118118.7 Ų118.777%0.76676%0.761SS**  trans-77.795.2-170.731.1-36.4000113.3R1498P1496-R1498 PolarHBondContact O-N 3.18Å
1497V25.3Very low28.6Very low133 Ų133121.2 Ų121.281%0.80676%0.761SS**  trans-76.875.2161-174.70000108.8S1495 S1499S1495-V1497 PolarHBondContact O-N 2.86Å; V1497-S1499 VanDerWaalsContact C-N 3.33Å; V1497-S1499 PolarHBondContact O-N 3.45Å
1498R26.4Very low28.4Very low195 Ų195123.2 Ų123.274%0.73676%0.756SS**  trans-88.270.1178.3-160.9179.1-159.6-88.21.6110.4P1496 W1500P1496-R1498 PolarHBondContact O-N 3.18Å; R1498-W1500 VanDerWaalsContact O-CD1 3.29Å; R1498-W1500 PolarHBondContact O-N 2.97Å
1499S25Very low28.6Very low106 Ų106127.5 Ų127.574%0.74176%0.757SS**  trans-62.3130168.8-620000109.9V1497V1497-S1499 VanDerWaalsContact C-N 3.33Å; V1497-S1499 PolarHBondContact O-N 3.45Å
1500W23Very low28.5Very low215 Ų215127.5 Ų127.581%0.81476%0.757SS**  trans-95.3135.9172.4-62.544000108.6R1498R1498-W1500 VanDerWaalsContact O-CD1 3.29Å; R1498-W1500 PolarHBondContact O-N 2.97Å
1501S24.6Very low28.4Very low83 Ų83128.3 Ų128.358%0.5876%0.756SS**  trans179.2101.5134.3-80.90000109.7
1502S25.3Very low28.1Very low74 Ų74129.3 Ų129.352%0.51776%0.76SS.*  trans-147.190-168.1-61.30000108.2E1700S1502-E1700 WeakPolarHBondContact CB-OE1 3.33Å; S1502-E1700 WeakPolarHBondContact CB-OE2 3.29Å; S1502-E1700 VanDerWaalsContact OG-CD 3.22Å; S1502-E1700 PolarHBondContact OG-OE2 3.39Å
1503I26.1Very low27.9Very low130 Ų130128 Ų12867%0.66775%0.754SS**  trans-115.3132.6-174.2-61.9173.9000108.9
1504S25.7Very low27.7Very low89 Ų89133.3 Ų133.362%0.62276%0.759SS**  trans-153.7138.4165.5-174.70000112.2
1505S26.8Very low27.9Very low120 Ų120135.2 Ų135.284%0.83975%0.754SS**  trans58.7127.3164.470.90000118.9
1506G31.4Very low28Very low79 Ų79137.1 Ų137.181%0.81475%0.754SS**  trans176.479.8178.200000112.3
1507T30.3Very low28Very low133 Ų133136.8 Ų136.882%0.81675%0.754SS**  trans-55138.1-163.8-51.10000116.6
1508E27.9Very low28.2Very low168 Ų168139.9 Ų139.979%0.78576%0.756SS**  trans-16127.6160.9-58.7168-153.900118.7
1509H33.9Very low28.3Very low197 Ų197136.6 Ų136.691%0.91276%0.764SS**  trans-140.6119.4136.2-82.3-40.6000109.8
1510S26.7Very low28.5Very low113 Ų113142.8 Ų142.879%0.7977%0.771SS**  trans-90.2136.1172.9600000110.8
1511L31.2Very low28.9Very low152 Ų152141.8 Ų141.880%0.79677%0.772SS**  trans-161.981.8148.8-107-175.4000110.1N1513L1511-N1513 PolarHBondContact O-N 3.21Å; L1511-N1513 VanDerWaalsContact O-N 3.15Å
1512T26.8Very low29.1Very low139 Ų139145.9 Ų145.985%0.85378%0.782SS**  trans-72.7102.7170-56.80000109.1
1513N30.4Very low29.4Very low130 Ų130150.1 Ų150.170%0.69580%0.798SS**  trans-124.490177.7-129.9-22000110.9L1511L1511-N1513 PolarHBondContact O-N 3.21Å; L1511-N1513 VanDerWaalsContact O-N 3.15Å
1514R29Very low29.5Very low220 Ų220149.8 Ų149.883%0.8380%0.798SS**  trans-112.986.2-179.2-172.8-172.4-170.9-169.64.5109.7
1515I33.3Very low29.9Very low139 Ų139153.1 Ų153.171%0.71381%0.809SS**  trans-119.3129.7173.7-61.7-178.3000109.7
1516I31Very low29.9Very low146 Ų146155.4 Ų155.475%0.74981%0.806SS**  trans-106.8120.3179.3-62167.3000107.6
1517C28.9Very low29.9Very low112 Ų112156.5 Ų156.576%0.75780%0.797SS**  trans-140.389.8178.7-91.40000113.6
1518K29Very low30Very low197 Ų197156.9 Ų156.986%0.85779%0.794SS**  trans30.3131.9141-62.2-178.1179.2178.90119.9
1519S27.6Very low30Very low127 Ų127153.7 Ų153.789%0.88879%0.79SS**  trans-49.3134.2160.441.60000113.5
1520R29Very low29.9Very low235 Ų235148 Ų14889%0.88778%0.784SS**  trans-134.2117.2164176.9174.9-91-150.6-3110.2
1521K31.4Very low29.9Very low194 Ų194151.7 Ų151.784%0.84379%0.787SS**  trans16.6141.4155.1-61-172.5175.4-172.60120.6
1522Q29.9Very low30Very low169 Ų169152 Ų15279%0.7979%0.788SS**  trans-26132156.1-64.8158.9-35.200114.5
1523L30.5Very low30.2Very low163 Ų163152.8 Ų152.885%0.85378%0.781SS**  trans-103.4106.1139-84167.5000107
1524N29.2Very low30.1Very low124 Ų124151.3 Ų151.366%0.66378%0.777SS**  trans-83.1128.3149.2-79.82.1000106
1525D34Very low30.1Very low159 Ų159152.4 Ų152.485%0.8578%0.781SS**  trans-120.3155.5143.2-92-52000107.3
1526Q27.1Very low29.7Very low167 Ų167154.8 Ų154.878%0.7878%0.783SS**  trans-130.9156-149.5-143.1-175.119.400112.9
1527T30.9Very low29.6Very low102 Ų102154.4 Ų154.463%0.62678%0.781SS**  trans70.493.6152.2-47.80000118.1
1528D32.5Very low29.7Very low142 Ų142157 Ų15776%0.75978%0.784SS**  -164.5145.5104.1-99.7-25000110
1529S28.6Very low29.7Very low101 Ų101156.5 Ų156.571%0.70678%0.782SS**  cis88.412738.3-48.30000114
1530G31.4Very low30Very low76 Ų76157 Ų15778%0.78478%0.78SS**  trans92.692.1178.700000113.8
1531F26.3Very low30Very low192 Ų192153.3 Ų153.384%0.84278%0.777SS**  cis85.6153.431.5-118-83.4000115.7
1532I32.9Very low30Very low159 Ų159150.7 Ų150.782%0.81577%0.772SS**  trans76.6107.1-163.5-50.5172.4000111.9
1533E31.1Very low29.9Very low154 Ų154148 Ų14872%0.7277%0.767SS**  cis98.397.526.2-161.4174.8-158.800115.9
1534T27.8Very low30.1Very low99 Ų99147.8 Ų147.861%0.60777%0.767SS**  trans32.7108.9131.7-35.40000120.8Y1536T1534-Y1536 HydrophobicContact CG2-CD2 3.73Å; T1534-Y1536 HydrophobicContact CG2-CE2 3.79Å
1535R30.5Very low30.1Very low243 Ų243151.1 Ų151.192%0.91778%0.776SS**  trans-144.8142.9134.6-76.7-160.7-94.2-173-5.9110.1
1536Y24.1Very low30.2Very low190 Ų190149.3 Ų149.375%0.74577%0.773SS**  cis113.7130.115.4-99.2-67.1000113.9T1534T1534-Y1536 HydrophobicContact CG2-CD2 3.73Å; T1534-Y1536 HydrophobicContact CG2-CE2 3.79Å
1537L28.7Very low30.2Very low137 Ų137149 Ų14972%0.71778%0.775SS**  trans74.2110.7156.1-60.4172000121.8
1538M31.2Very low30.3Very low167 Ų167148.7 Ų148.782%0.82378%0.776SS**  163.9117.7118.6-115.263.7166.500106.6
1539K28.3Very low30.2Very low187 Ų187151 Ų15181%0.81378%0.782SS**  cis71.385.924.3-130.5-172.2-169.3-174.40115.2
1540T35Very low30.1Very low137 Ų137149.6 Ų149.684%0.8478%0.783SS**  trans-139.4134.4155.8-36.40000109.7
1541L27.8Very low30.1Very low158 Ų158151.3 Ų151.383%0.82778%0.783SS**  trans-119.1143.6173.1-84.6162.5000108.6
1542N31.4Very low30.1Very low139 Ų139147.4 Ų147.474%0.74378%0.779SS**  trans-159.289163-148.2-9000109.6
1543T29.3Very low29.8Very low111 Ų111144.6 Ų144.668%0.68177%0.774SS**  42.2111.69050.20000116.9
1544N34.4Very low29.8Very low159 Ų159142.4 Ų142.485%0.8577%0.771SS**  -166.7168.9124.9-99.7-48.4000112.7
1545K28.9Very low29.7Very low194 Ų194146.4 Ų146.484%0.84378%0.777SS**  trans-100.4-175.2-165.4-61.8-179.9-178.5175.60111.6
1546P36.1Very low29.7Very low122 Ų122139.2 Ų139.279%0.79276%0.756SS**  cis-144.8-17511.344.2-22.8000119.5
1547L27.3Very low29.9Very low159 Ų159134.4 Ų134.483%0.83274%0.74SS**  trans-72.5173.3165.2-124.571.7000111.9
1548P33.3Very low30Very low97 Ų97132.9 Ų132.963%0.6373%0.733SS**  -154.6-179.354.644.5-23.5000119.2
1549Q29.5Very low30Very low191 Ų191133 Ų13389%0.89373%0.729SS**  trans61.2145.1159.5-68154.2-11.200118.2
1550G27.5Very low29.8Very low70 Ų70128.9 Ų128.972%0.72272%0.723SS**  cis-176.5162.4-6.800000106.9
1551S30.4Very low29.6Very low112 Ų112128.6 Ų128.678%0.78372%0.716SS**  cis-161.8168.316.6-630000110.5
1552S27.6Very low29.5Very low110 Ų110129 Ų12977%0.76971%0.714SS**  trans51.6114.4162.648.40000119.2
1553S25.4Very low29.5Very low101 Ų101132.6 Ų132.671%0.70672%0.723SS**  64.8122.482.5-160.80000113
1554T30.7Very low29.3Very low108 Ų108134.1 Ų134.166%0.66373%0.726SS**  -138.5178.850.945.10000115.9R527R527-T1554 VanDerWaalsContact CD-O 3.27Å; R527-T1554 WeakPolarHBondContact CD-O 3.32Å; R527-T1554 VanDerWaalsContact NH1-C 3.26Å; R527-T1554 PolarHBondContact NH1-O 2.88Å
1555Y26Very low28.9Very low183 Ų183133.6 Ų133.672%0.71872%0.724SS**  trans-32158.6176.7-86.2-138.8000118.5R527R527-Y1555 WeakPolarHBondContact CD-O 3.24Å; R527-Y1555 VanDerWaalsContact NE-C 3.35Å
1556L31.6Very low28.7Very low92 Ų92129.3 Ų129.348%0.48272%0.718SS.*  cis-138.5163.35.3-102.1161000108.5R527R527-L1556 WeakPolarHBondContact CA-O 3.5Å; R527-L1556 VanDerWaalsContact CB-O 3.23Å; R527-L1556 WeakPolarHBondContact CB-O 2.73Å; R527-L1556 WeakPolarHBondContact CG-O 3.46Å; R527-L1556 VanDerWaalsContact NE-N 3.15Å; R527-L1556 PolarHBondContact NE-O 3.29Å
1557E28.1Very low28.1Very low88 Ų88133.8 Ų133.841%0.41172%0.721SS.*  cis77.4130.714.8-96.731.2-123.700117.6L526 R527L526-E1557 VanDerWaalsContact CD2-OE2 3.23Å; L526-E1557 WeakPolarHBondContact CD2-OE2 3.25Å; R527-E1557 IonicContact CZ-OE2 3.67Å; R527-E1557 IonicContact NE-OE2 3.97Å; R527-E1557 IonicContact NH2-OE2 2.65Å; R527-E1557 PolarHBondContact NH2-OE2 2.73Å
1558N29.5Very low28.3Very low105 Ų105133.8 Ų133.856%0.56172%0.722SS**  cis-163.1161.9-24.8-156.3-23.5000108.8
1559K31.4Very low28Very low171 Ų171138.7 Ų138.774%0.74373%0.729SS**  trans65.9144.9174.5-56.8171-178.9178.40115.8
1560S25.4Very low27.8Very low100 Ų100136 Ų13670%0.69972%0.721SS**  cis92.7145.818.9-54.10000116.5
1561D30.8Very low27.6Very low130 Ų130143.6 Ų143.670%0.69573%0.728SS**  trans82.4108.8157.9-49.4-43.6000119.4
1562H25Very low27.3Very low168 Ų168143.8 Ų143.878%0.77872%0.724SS**  trans26.1129.1140.3-63.1-87.5000120.2
1563F30.8Very low27.2Very low213 Ų213144.4 Ų144.493%0.93472%0.724SS**  -149.9167.6108.7-106.9-70.5000111.8
1564L25.4Very low27.2Very low143 Ų143147.5 Ų147.575%0.74973%0.732SS**  trans-110.6168.6-179.4-162.172.7000109.2
1565N25.4Very low26.8Very low149 Ų149150.2 Ų150.280%0.79774%0.742SS**  trans74.5156.8177.1-44.2-21.8000113.7
1566S25.4Very low26.9Very low104 Ų104146.6 Ų146.673%0.72774%0.743SS**  cis-128.2159.3-3.6-163.70000110.9
1567Y23.3Very low26.5Very low216 Ų216148.1 Ų148.185%0.84775%0.748SS**  trans-66.6142.2150-84.1-108.3000108
1568D32Very low26.2Very low159 Ų159152.4 Ų152.485%0.8576%0.761SS**  trans-146.3156.8148-128.4-40.1000111.1
1569Y26.5Very low26.1Very low199 Ų199152.4 Ų152.478%0.7876%0.761SS**  trans-97.5157.6-157.8-131.9-121.4000112.9
1570N26.3Very low26.1Very low134 Ų134148.4 Ų148.472%0.71775%0.745SS**  trans112.4143.4146.8-69.5-56.1000121.9
1571R22.9Very low26.3Very low231 Ų231149.5 Ų149.587%0.87274%0.744SS**  trans64.2143155.4-77.6-174.4161.8-166.8-6119.2
1572T24.7Very low26.4Very low115 Ų115151.6 Ų151.671%0.70675%0.753SS**  cis-167.7155.8-27.6-102.80000105.6
1573T25.1Very low26.8Very low124 Ų124152 Ų15276%0.76175%0.752SS**  trans-34.3139.3175.946.20000116.3
1574N24.7Very low26.6Very low166 Ų166150.8 Ų150.889%0.88875%0.747SS**  trans-147152.9134-127.8-66000111.2
1575L23.1Very low27Very low165 Ų165154 Ų15486%0.86476%0.755SS**  trans-123.6110.4-165.8178.267.2000110.7
1576S26.4Very low27.1Very low106 Ų106156.1 Ų156.174%0.74176%0.757SS**  trans-151.3106.816858.50000107.4
1577Q25Very low27.2Very low125 Ų125155.7 Ų155.758%0.58475%0.754SS**  108.3111.265.4177.7172.8-2.900107.8T197T197-Q1577 PolarHBondContact O-NE2 3.1Å
1578Y21.8Very low27.6Very low177 Ų177153.1 Ų153.169%0.69476%0.755SS**  trans18134.9158.6-83-102.4000121L199L199-Y1578 HydrophobicContact CD1-CD1 3.72Å; L199-Y1578 HydrophobicContact CD1-CE1 4.4Å; L199-Y1578 HydrophobicContact CD1-CG 3.85Å; L199-Y1578 HydrophobicContact CD2-CD1 4.22Å
1579N26.1Very low27.5Very low105 Ų105154.2 Ų154.256%0.56176%0.755SS**  -170162.9108.7-102.428.2000113.1L199L199-N1579 VanDerWaalsContact CD2-OD1 3.24Å; L199-N1579 WeakPolarHBondContact CD2-OD1 3.48Å
1580E31.6Very low27.6Very low88 Ų88152 Ų15241%0.41176%0.755SS.*  trans72.5126.1165-48.6-37.4129.200124.3L201L201-E1580 WeakPolarHBondContact CB-OE2 3.36Å; L201-E1580 WeakPolarHBondContact CD1-OE2 3.47Å
1581D30.7Very low27.8Very low123 Ų123151.4 Ų151.466%0.65875%0.752SS**  trans55.484.7139.9-83.8-15.4000122
1582I32.9Very low28.2Very low174 Ų174145.3 Ų145.389%0.89275%0.745SS**  trans-103.4115.5149.9-63.9-177.6000110.4
1583K33Very low28.3Very low175 Ų175150.2 Ų150.276%0.76175%0.75SS**  trans-72.6135.3-177.3-66.4174.4-179.5173.50113K1585K1583-K1585 PolarHBondContact O-N 2.82Å
1584F25.3Very low28.4Very low188 Ų188150 Ų15083%0.82575%0.749SS**  trans18.296.7150.5-83.9-96.5000117.2
1585K33.8Very low28.5Very low210 Ų210152.5 Ų152.591%0.91375%0.747SS**PPolyproline II helixtrans-98.9121.5145.4-93.4-174.9174.2178.90108.7K1583K1583-K1585 PolarHBondContact O-N 2.82Å
1586K27.5Very low28.8Very low195 Ų195149.7 Ų149.785%0.84874%0.737SS**PPolyproline II helixtrans-70.3136.5172.5-171.5174.8-1801790109.1
1587S29.4Very low28.8Very low94 Ų94155 Ų15566%0.65774%0.741SS**PPolyproline II helixtrans-64.9135.6172.738.70000111
1588N30.9Very low29.1Very low163 Ų163158.9 Ų158.987%0.87275%0.75SS**  trans-97.8113.7148.7-83.8-5.4000105.9
1589E29.3Very low29.5Very low182 Ų182160.1 Ų160.185%0.8576%0.759SS**  trans-77.5136.4-173.8-165.6166.7-17900110.4
1590I29.3Very low29.8Very low152 Ų152162.3 Ų162.378%0.77977%0.766SS**  trans-98.8114.1179-63.2173.2000107S1592I1590-S1592 VanDerWaalsContact C-N 3.33Å; I1590-S1592 PolarHBondContact O-N 2.82Å
1591D29.4Very low29.6Very low122 Ų122163.7 Ų163.765%0.65279%0.785SS**  trans-70.784.9-179.9-174.53.6000111R1593D1591-R1593 PolarHBondContact O-N 3.37Å; D1591-R1593 VanDerWaalsContact OD1-CG 3.25Å; D1591-R1593 WeakPolarHBondContact OD1-CG 3.34Å; D1591-R1593 IonicContact OD1-NE 3.89Å; D1591-R1593 WeakPolarHBondContact OD2-CD 3.49Å; D1591-R1593 IonicContact OD2-NE 3.63Å
1592S31.4Very low29.3Very low103 Ų103169.1 Ų169.172%0.7280%0.797SS**  trans-77.660.6174.8540000111.5I1590 T1594I1590-S1592 VanDerWaalsContact C-N 3.33Å; I1590-S1592 PolarHBondContact O-N 2.82Å; S1592-T1594 PolarHBondContact O-N 3.38Å
1593R27.4Very low29Very low217 Ų217164.7 Ų164.782%0.81978%0.781SS**  trans-66.977.4176.7-108.9170.5-171-101.1-3.2112.7D1591D1591-R1593 PolarHBondContact O-N 3.37Å; D1591-R1593 VanDerWaalsContact OD1-CG 3.25Å; D1591-R1593 WeakPolarHBondContact OD1-CG 3.34Å; D1591-R1593 IonicContact OD1-NE 3.89Å; D1591-R1593 WeakPolarHBondContact OD2-CD 3.49Å; D1591-R1593 IonicContact OD2-NE 3.63Å
1594T27.1Very low28.7Very low121 Ų121163.9 Ų163.974%0.74279%0.785SS**  trans-140.484.3164.8-650000108.8S1592S1592-T1594 PolarHBondContact O-N 3.38Å
1595Y26.5Very low29.2Very low217 Ų217161.5 Ų161.585%0.85178%0.781SS**  trans-130.4105.3164-106.4-104.5000107.7
1596T30.1Very low29.1Very low106 Ų106160.4 Ų160.465%0.6578%0.779SS**  87.4108.877.6-68.70000111.2R1598T1596-R1598 PolarHBondContact O-N 2.82Å
1597R26.8Very low29.4Very low218 Ų218157.9 Ų157.982%0.82378%0.775SS**PPolyproline II helixtrans-65128.6169.9-91.7166.253.2-114.92.9109.2K1599R1597-K1599 PolarHBondContact O-N 2.86Å
1598R31.2Very low29.7Very low206 Ų206158.4 Ų158.478%0.77777%0.771SS**PPolyproline II helixtrans-58.3121178.2-71.6169.1-86.3155.4-3110.9T1596 H1600T1596-R1598 PolarHBondContact O-N 2.82Å; R1598-H1600 VanDerWaalsContact CD-NE2 3.29Å; R1598-H1600 WeakPolarHBondContact CD-NE2 3.3Å
1599K29.4Very low29.8Very low203 Ų203156.1 Ų156.188%0.88376%0.764SS**PPolyproline II helixtrans-87.1117.8147.1-72-169.7176.9-172.60106.3R1597R1597-K1599 PolarHBondContact O-N 2.86Å
1600H32.7Very low29.9Very low152 Ų152156 Ų15670%0.70476%0.764SS**  trans-105.4118.3164.3-79-65.9000108.1R1598R1598-H1600 VanDerWaalsContact CD-NE2 3.29Å; R1598-H1600 WeakPolarHBondContact CD-NE2 3.3Å
1601S26.7Very low30.1Very low117 Ų117156.8 Ų156.882%0.81876%0.762SS**PPolyproline II helixtrans-64.6150.6173.7-41.40000110.5
1602R25.1Very low30.1Very low236 Ų236159.8 Ų159.889%0.89177%0.765SS**PPolyproline II helixtrans-86.6149.6147.1-166.8168.8-176.4167.5-0.3107.5
1603S27.1Very low30.1Very low82 Ų82163 Ų16357%0.57377%0.774SS**PPolyproline II helixtrans-66.6144176.248.40000110.9D1605S1603-D1605 WeakPolarHBondContact CB-OD2 3.4Å; S1603-D1605 PolarHBondContact OG-OD2 3.05Å
1604N27.4Very low30.7Very low157 Ų157158.1 Ų158.184%0.8477%0.768SS**PPolyproline II helixtrans-90119.1148.1-68.7-5.2000105.4
1605D34.6Very low31.4Very low138 Ų138158.2 Ų158.274%0.73877%0.769SS**PPolyproline II helixtrans-103120.9158.9-63.5-72.5000104.8S1603S1603-D1605 WeakPolarHBondContact CB-OD2 3.4Å; S1603-D1605 PolarHBondContact OG-OD2 3.05Å
1606Q31.1Very low32.4Very low187 Ų187156 Ų15687%0.87477%0.77SS**PPolyproline II helixtrans-85.8121.2-178.4-71.4178.2-9200109.6
1607D34.7Very low33.6Very low143 Ų143154.2 Ų154.277%0.76576%0.757SS**  trans-134131.5158.6-92.5-49.3000110
1608D34.8Very low35.5Very low105 Ų105147.2 Ų147.256%0.56175%0.745SS**  trans11.2108175.2-155.7-20000120.5Q1610D1608-Q1610 PolarHBondContact O-N 3.4Å; D1608-Q1610 VanDerWaalsContact O-N 3.16Å; D1608-Q1610 WeakPolarHBondContact OD1-CB 3.37Å; D1608-Q1610 PolarHBondContact OD1-N 3.14Å
1609P33.9Very low37.6Very low114 Ų114144.4 Ų144.474%0.7474%0.741SS**G310 helixtrans-60.6-19.1172.7-23.834.9000116K1611 Y1612P1609-K1611 VanDerWaalsContact C-N 3.32Å; P1609-K1611 PolarHBondContact O-N 2.98Å; P1609-Y1612 PolarHBondContact O-N 3.18Å
1610Q32Very low39.7Very low181 Ų181138.2 Ų138.285%0.84672%0.724SS**G310 helixtrans-82.2-1.2-174.7-76.2-85.9-5400114.5D1608D1608-Q1610 PolarHBondContact O-N 3.4Å; D1608-Q1610 VanDerWaalsContact O-N 3.16Å; D1608-Q1610 WeakPolarHBondContact OD1-CB 3.37Å; D1608-Q1610 PolarHBondContact OD1-N 3.14Å
1611K32.7Very low41.9Very low168 Ų168136 Ų13673%0.7371%0.709SS**G310 helixtrans-97.4-10.3168.9-113.1-177.8179.3-177.40115P1609 L1613P1609-K1611 VanDerWaalsContact C-N 3.32Å; P1609-K1611 PolarHBondContact O-N 2.98Å; K1611-L1613 PolarHBondContact O-N 2.96Å
1612Y29.9Very low44.3Very low185 Ų185136.2 Ų136.273%0.72570%0.698SS**THydrogen-bonded Turntrans-84.752.1-178.2-71-78.5000113.7P1609P1609-Y1612 PolarHBondContact O-N 3.18Å
1613L31.5Very low46.9Very low171 Ų171128.3 Ų128.390%0.89568%0.676SS**THydrogen-bonded Turntrans-130.711.7162.9-109.8169000113.2K1611 T1615K1611-L1613 PolarHBondContact O-N 2.96Å; L1613-T1615 PolarHBondContact O-N 2.86Å
1614T39.8Very low49.7Very low113 Ų113131.6 Ų131.669%0.69368%0.676SS**SBendtrans-68.7112.2158.454.10000108.9
1615T42.4Very low52.6Low124 Ų124126.3 Ų126.376%0.76165%0.649SS**  trans9.4122.4157.144.20000117.2L1613 D1617L1613-T1615 PolarHBondContact O-N 2.86Å; T1615-D1617 PolarHBondContact O-N 2.81Å
1616L46Very low55.1Low169 Ų169122.1 Ų122.189%0.88563%0.634SS**  trans-46.9112.4157.5-92165.6000108.7A1618L1616-A1618 PolarHBondContact O-N 3.32Å
1617D55.1Low57.8Low70 Ų70120.3 Ų120.337%0.37462%0.619SS.*  trans-57.9125.9-178.615940.9000110.1T1615 E1619 S1620 Y1621T1615-D1617 PolarHBondContact O-N 2.81Å; D1617-E1619 VanDerWaalsContact C-N 3.27Å; D1617-E1619 PolarHBondContact O-N 2.54Å; D1617-E1619 WeakPolarHBondContact OD1-CB 3.43Å; D1617-E1619 PolarHBondContact OD1-N 3.01Å; D1617-S1620 PolarHBondContact O-N 3.12Å; D1617-S1620 WeakPolarHBondContact OD2-CB 3.33Å; D1617-S1620 PolarHBondContact OD2-N 2.94Å; D1617-S1620 PolarHBondContact OD2-OG 3.19Å; D1617-Y1621 PolarHBondContact O-N 3.49Å
1618A68.2Low60.3Low70 Ų70118 Ų11858%0.57961%0.605SS**Hα-helixtrans-65-32.7-178.300000111.5L1616 Y1621 Q1622L1616-A1618 PolarHBondContact O-N 3.32Å; A1618-Y1621 PolarHBondContact O-N 2.9Å; A1618-Q1622 WeakPolarHBondContact O-CB 3.44Å; A1618-Q1622 VanDerWaalsContact O-CG 3.23Å; A1618-Q1622 WeakPolarHBondContact O-CG 3.41Å; A1618-Q1622 PolarHBondContact O-N 2.97Å
1619E74.8Confident62.9Low148 Ų148115.6 Ų115.669%0.69260%0.596SS**Hα-helixtrans-67.1-43.8174.5-62.4-170.7159.100110.9D1617 Y1621 Q1622 T1623D1617-E1619 VanDerWaalsContact C-N 3.27Å; D1617-E1619 PolarHBondContact O-N 2.54Å; D1617-E1619 WeakPolarHBondContact OD1-CB 3.43Å; D1617-E1619 PolarHBondContact OD1-N 3.01Å; E1619-Y1621 PolarHBondContact O-N 3.49Å; E1619-Q1622 PolarHBondContact O-N 3.35Å; E1619-T1623 WeakPolarHBondContact O-CB 3.21Å; E1619-T1623 PolarHBondContact O-N 3.25Å; E1619-T1623 PolarHBondContact O-OG1 3.21Å
1620S74.1Confident65.2Low73 Ų73115.3 Ų115.351%0.5159%0.585SS.*Hα-helixtrans-61.5-40.3175.2-69.50000112.5D1617 W1624D1617-S1620 PolarHBondContact O-N 3.12Å; D1617-S1620 WeakPolarHBondContact OD2-CB 3.33Å; D1617-S1620 PolarHBondContact OD2-N 2.94Å; D1617-S1620 PolarHBondContact OD2-OG 3.19Å; S1620-W1624 PolarHBondContact O-N 3.03Å; S1620-W1624 VanDerWaalsContact O-N 3.1Å
1621Y77.1Confident67.6Low104 Ų104111.7 Ų111.741%0.40857%0.571SS.*Hα-helixtrans-68.3-47.2174.3-177.3-102000111.8D1617 A1618 E1619 T1623 W1624 V1625 Q1810D1617-Y1621 PolarHBondContact O-N 3.49Å; A1618-Y1621 PolarHBondContact O-N 2.9Å; E1619-Y1621 PolarHBondContact O-N 3.49Å; Y1621-T1623 VanDerWaalsContact C-N 3.34Å; Y1621-T1623 PolarHBondContact O-N 3.13Å; Y1621-W1624 HydrophobicContact CE2-CE3 4.34Å; Y1621-W1624 HydrophobicContact CE2-CZ3 4.49Å; Y1621-W1624 WeakPolarHBondContact O-CB 3.16Å; Y1621-W1624 PolarHBondContact O-N 3.17Å; Y1621-W1624 VanDerWaalsContact O-N 3.15Å; Y1621-V1625 HydrophobicContact CD1-CG2 4.15Å; Y1621-V1625 HydrophobicContact CE1-CG2 3.71Å; Y1621-V1625 HydrophobicContact CE2-CG2 4.3Å; Y1621-V1625 WeakPolarHBondContact O-CG2 3.39Å; Y1621-V1625 PolarHBondContact O-N 2.89Å; Y1621-Q1810 PolarHBondContact OH-NE2 3.39Å
1622Q77.7Confident70Confident123 Ų123106 Ų10658%0.57555%0.554SS**Hα-helixtrans-62.6-39176.9-72.3-68.87.400112A1618 E1619 W1624 V1625 A1626A1618-Q1622 WeakPolarHBondContact O-CB 3.44Å; A1618-Q1622 VanDerWaalsContact O-CG 3.23Å; A1618-Q1622 WeakPolarHBondContact O-CG 3.41Å; A1618-Q1622 PolarHBondContact O-N 2.97Å; E1619-Q1622 PolarHBondContact O-N 3.35Å; Q1622-W1624 VanDerWaalsContact C-N 3.3Å; Q1622-W1624 PolarHBondContact O-N 3.37Å; Q1622-V1625 PolarHBondContact O-N 2.87Å; Q1622-A1626 VanDerWaalsContact O-CB 3.23Å; Q1622-A1626 WeakPolarHBondContact O-CB 3.18Å; Q1622-A1626 PolarHBondContact O-N 3Å
1623T81Confident72Confident70 Ų70103.3 Ų103.343%0.42955%0.549SS..Hα-helixtrans-62.8-37.2174.8-610000111.4E1619 Y1621 R1627E1619-T1623 WeakPolarHBondContact O-CB 3.21Å; E1619-T1623 PolarHBondContact O-N 3.25Å; E1619-T1623 PolarHBondContact O-OG1 3.21Å; Y1621-T1623 VanDerWaalsContact C-N 3.34Å; Y1621-T1623 PolarHBondContact O-N 3.13Å; T1623-R1627 WeakPolarHBondContact O-CG 3.25Å; T1623-R1627 PolarHBondContact O-N 3.36Å
1624W84.5Confident74.2Confident151 Ų15196.7 Ų96.757%0.57252%0.522SS*.Hα-helixtrans-68.8-46.3173.8-17877.9000111.7S1620 Y1621 Q1622 A1626 R1627 M1628S1620-W1624 PolarHBondContact O-N 3.03Å; S1620-W1624 VanDerWaalsContact O-N 3.1Å; Y1621-W1624 HydrophobicContact CE2-CE3 4.34Å; Y1621-W1624 HydrophobicContact CE2-CZ3 4.49Å; Y1621-W1624 WeakPolarHBondContact O-CB 3.16Å; Y1621-W1624 PolarHBondContact O-N 3.17Å; Y1621-W1624 VanDerWaalsContact O-N 3.15Å; Q1622-W1624 VanDerWaalsContact C-N 3.3Å; Q1622-W1624 PolarHBondContact O-N 3.37Å; W1624-A1626 VanDerWaalsContact C-N 3.33Å; W1624-A1626 PolarHBondContact O-N 2.85Å; W1624-R1627 PolarHBondContact O-N 2.85Å; W1624-M1628 HydrophobicContact CD2-CG 4.03Å; W1624-M1628 HydrophobicContact CE3-CG 4.48Å; W1624-M1628 HydrophobicContact CG-CG 4.49Å; W1624-M1628 HydrophobicContact CH2-CG 4.34Å; W1624-M1628 HydrophobicContact CZ2-CE 4.06Å; W1624-M1628 HydrophobicContact CZ2-CG 3.85Å; W1624-M1628 HydrophobicContact CZ2-SD 4.17Å; W1624-M1628 WeakPolarHBondContact O-CB 3.34Å; W1624-M1628 VanDerWaalsContact O-CG 3.24Å; W1624-M1628 WeakPolarHBondContact O-CG 3.46Å; W1624-M1628 PolarHBondContact O-N 3.46Å
1625V88.4Confident75.9Confident45 Ų4596.4 Ų96.427%0.27352%0.516SS..Hα-helixtrans-60.4-41.6175.6172.90000111.5Y1621 Q1622 M1628 S1629Y1621-V1625 HydrophobicContact CD1-CG2 4.15Å; Y1621-V1625 HydrophobicContact CE1-CG2 3.71Å; Y1621-V1625 HydrophobicContact CE2-CG2 4.3Å; Y1621-V1625 WeakPolarHBondContact O-CG2 3.39Å; Y1621-V1625 PolarHBondContact O-N 2.89Å; Q1622-V1625 PolarHBondContact O-N 2.87Å; V1625-M1628 PolarHBondContact O-N 2.96Å; V1625-S1629 WeakPolarHBondContact O-CB 3.22Å; V1625-S1629 PolarHBondContact O-N 2.76Å; V1625-S1629 PolarHBondContact O-OG 2.81Å
1626A87.9Confident77.5Confident51 Ų5194.4 Ų94.442%0.42150%0.5SS..Hα-helixtrans-60.5-51.5175.300000111.1Q1622 W1624 M1628 S1629 E1630Q1622-A1626 VanDerWaalsContact O-CB 3.23Å; Q1622-A1626 WeakPolarHBondContact O-CB 3.18Å; Q1622-A1626 PolarHBondContact O-N 3Å; W1624-A1626 VanDerWaalsContact C-N 3.33Å; W1624-A1626 PolarHBondContact O-N 2.85Å; A1626-M1628 VanDerWaalsContact C-N 3.35Å; A1626-M1628 PolarHBondContact O-N 2.63Å; A1626-S1629 CarbonylContact O-C 3.57Å; A1626-S1629 WeakPolarHBondContact O-CA 3.31Å; A1626-S1629 VanDerWaalsContact O-CB 3.32Å; A1626-S1629 WeakPolarHBondContact O-CB 3.34Å; A1626-S1629 PolarHBondContact O-N 2.92Å; A1626-E1630 WeakPolarHBondContact O-CG 3.29Å; A1626-E1630 PolarHBondContact O-N 3.46Å
1627R86.4Confident78.4Confident149 Ų14989.4 Ų89.456%0.56248%0.48SS*.Hα-helixtrans-63.2-36.8176.9-73.4-172.6-168.5-145.66.3113.7T1623 W1624 S1629 E1630 L1631T1623-R1627 WeakPolarHBondContact O-CG 3.25Å; T1623-R1627 PolarHBondContact O-N 3.36Å; W1624-R1627 PolarHBondContact O-N 2.85Å; R1627-S1629 PolarHBondContact O-N 3.17Å; R1627-E1630 PolarHBondContact O-N 3.44Å; R1627-L1631 VanDerWaalsContact O-CB 3.3Å; R1627-L1631 WeakPolarHBondContact O-CB 3.24Å; R1627-L1631 PolarHBondContact O-N 3.1Å
1628M87.2Confident78.4Confident95 Ų9592 Ų9247%0.46849%0.493SS..Hα-helixtrans-66.4-31.8174.2-68-66.5-74.700111.1W1624 V1625 A1626 A1632W1624-M1628 HydrophobicContact CD2-CG 4.03Å; W1624-M1628 HydrophobicContact CE3-CG 4.48Å; W1624-M1628 HydrophobicContact CG-CG 4.49Å; W1624-M1628 HydrophobicContact CH2-CG 4.34Å; W1624-M1628 HydrophobicContact CZ2-CE 4.06Å; W1624-M1628 HydrophobicContact CZ2-CG 3.85Å; W1624-M1628 HydrophobicContact CZ2-SD 4.17Å; W1624-M1628 WeakPolarHBondContact O-CB 3.34Å; W1624-M1628 VanDerWaalsContact O-CG 3.24Å; W1624-M1628 WeakPolarHBondContact O-CG 3.46Å; W1624-M1628 PolarHBondContact O-N 3.46Å; V1625-M1628 PolarHBondContact O-N 2.96Å; A1626-M1628 VanDerWaalsContact C-N 3.35Å; A1626-M1628 PolarHBondContact O-N 2.63Å; M1628-A1632 WeakPolarHBondContact O-CB 3.31Å; M1628-A1632 PolarHBondContact O-N 3.17Å
1629S89.2Confident77.8Confident54 Ų5492.5 Ų92.538%0.37850%0.497SS..Hα-helixtrans-74-41.5173.7-56.10000112.6V1625 A1626 R1627 L1631 A1632 Q1633V1625-S1629 WeakPolarHBondContact O-CB 3.22Å; V1625-S1629 PolarHBondContact O-N 2.76Å; V1625-S1629 PolarHBondContact O-OG 2.81Å; A1626-S1629 CarbonylContact O-C 3.57Å; A1626-S1629 WeakPolarHBondContact O-CA 3.31Å; A1626-S1629 VanDerWaalsContact O-CB 3.32Å; A1626-S1629 WeakPolarHBondContact O-CB 3.34Å; A1626-S1629 PolarHBondContact O-N 2.92Å; R1627-S1629 PolarHBondContact O-N 3.17Å; S1629-L1631 VanDerWaalsContact C-N 3.29Å; S1629-L1631 PolarHBondContact O-N 3.49Å; S1629-A1632 PolarHBondContact O-N 3.47Å; S1629-Q1633 WeakPolarHBondContact O-CB 3.32Å; S1629-Q1633 WeakPolarHBondContact O-CG 3.47Å; S1629-Q1633 PolarHBondContact O-N 3.23Å
1630E82.7Confident76.7Confident107 Ų10787.5 Ų87.550%0.547%0.473SS..Hα-helixtrans-57.7-42.5170-70.9177.8149.100111A1626 R1627 Q1633 G1634A1626-E1630 WeakPolarHBondContact O-CG 3.29Å; A1626-E1630 PolarHBondContact O-N 3.46Å; R1627-E1630 PolarHBondContact O-N 3.44Å; E1630-Q1633 PolarHBondContact O-N 2.87Å; E1630-G1634 PolarHBondContact O-N 2.89Å
1631L82.9Confident75.5Confident106 Ų10689.6 Ų89.656%0.55548%0.475SS*.Hα-helixtrans-68.8-40.2179-158.1160.7000111R1627 S1629 G1634 L1635R1627-L1631 VanDerWaalsContact O-CB 3.3Å; R1627-L1631 WeakPolarHBondContact O-CB 3.24Å; R1627-L1631 PolarHBondContact O-N 3.1Å; S1629-L1631 VanDerWaalsContact C-N 3.29Å; S1629-L1631 PolarHBondContact O-N 3.49Å; L1631-G1634 PolarHBondContact O-N 3.21Å; L1631-L1635 HydrophobicContact CD2-CD1 3.66Å; L1631-L1635 HydrophobicContact CD2-CG 4.11Å; L1631-L1635 WeakPolarHBondContact O-CB 3.28Å; L1631-L1635 WeakPolarHBondContact O-CG 3.46Å; L1631-L1635 PolarHBondContact O-N 3.31Å
1632A83.4Confident74.1Confident47 Ų4787.5 Ų87.539%0.38847%0.474SS..Hα-helixtrans-65.6-36.4172.700000112.9M1628 S1629 N1636M1628-A1632 WeakPolarHBondContact O-CB 3.31Å; M1628-A1632 PolarHBondContact O-N 3.17Å; S1629-A1632 PolarHBondContact O-N 3.47Å; A1632-N1636 PolarHBondContact O-N 3.35Å; A1632-N1636 VanDerWaalsContact O-N 3.14Å; A1632-N1636 PolarHBondContact O-ND2 2.94Å
1633Q71.6Confident72.3Confident129 Ų12988.5 Ų88.560%0.60348%0.482SS*.Hα-helixtrans-66-50171.6-74.7178.152.400110.6S1629 E1630 L1635 N1636 S1637S1629-Q1633 WeakPolarHBondContact O-CB 3.32Å; S1629-Q1633 WeakPolarHBondContact O-CG 3.47Å; S1629-Q1633 PolarHBondContact O-N 3.23Å; E1630-Q1633 PolarHBondContact O-N 2.87Å; Q1633-L1635 VanDerWaalsContact C-N 3.26Å; Q1633-L1635 PolarHBondContact O-N 2.94Å; Q1633-N1636 CarbonylContact O-C 3.58Å; Q1633-N1636 WeakPolarHBondContact O-CA 3.41Å; Q1633-N1636 WeakPolarHBondContact O-CB 3.45Å; Q1633-N1636 PolarHBondContact O-N 2.79Å; Q1633-S1637 PolarHBondContact O-N 2.79Å; Q1633-S1637 PolarHBondContact O-OG 2.75Å
1634G78.8Confident70.2Confident33 Ų3393.6 Ų93.634%0.3450%0.499SS..Hα-helixtrans-58.7-32.8177.100000114E1630 L1631 S1637 L1638E1630-G1634 PolarHBondContact O-N 2.89Å; L1631-G1634 PolarHBondContact O-N 3.21Å; G1634-S1637 CarbonylContact O-C 3.17Å; G1634-S1637 PolarHBondContact O-N 3.42Å; G1634-L1638 WeakPolarHBondContact O-CB 3.09Å; G1634-L1638 WeakPolarHBondContact O-CD1 3.39Å; G1634-L1638 WeakPolarHBondContact O-CG 3.49Å; G1634-L1638 PolarHBondContact O-N 2.97Å
1635L74.7Confident67.8Low106 Ų10690.9 Ų90.956%0.55549%0.493SS*.Hα-helixtrans-71.7-36171.9-74.2173.2000112.9L1631 Q1633 L1638 A1639L1631-L1635 HydrophobicContact CD2-CD1 3.66Å; L1631-L1635 HydrophobicContact CD2-CG 4.11Å; L1631-L1635 WeakPolarHBondContact O-CB 3.28Å; L1631-L1635 WeakPolarHBondContact O-CG 3.46Å; L1631-L1635 PolarHBondContact O-N 3.31Å; Q1633-L1635 VanDerWaalsContact C-N 3.26Å; Q1633-L1635 PolarHBondContact O-N 2.94Å; L1635-L1638 PolarHBondContact O-N 3.45Å; L1635-A1639 WeakPolarHBondContact O-CB 3.32Å; L1635-A1639 PolarHBondContact O-N 3.47Å
1636N76.4Confident65.2Low82 Ų8292.8 Ų92.844%0.43951%0.508SS..Hα-helixtrans-63.5-47.1168.9-83.6-88.2000110.4A1632 Q1633 L1638 A1639 K1640A1632-N1636 PolarHBondContact O-N 3.35Å; A1632-N1636 VanDerWaalsContact O-N 3.14Å; A1632-N1636 PolarHBondContact O-ND2 2.94Å; Q1633-N1636 CarbonylContact O-C 3.58Å; Q1633-N1636 WeakPolarHBondContact O-CA 3.41Å; Q1633-N1636 WeakPolarHBondContact O-CB 3.45Å; Q1633-N1636 PolarHBondContact O-N 2.79Å; N1636-L1638 PolarHBondContact O-N 3.45Å; N1636-A1639 PolarHBondContact O-N 3.4Å; N1636-K1640 WeakPolarHBondContact O-CB 3.32Å; N1636-K1640 PolarHBondContact O-N 3.39Å; N1636-K1640 VanDerWaalsContact O-N 3.12Å
1637S64Low62.5Low65 Ų6595 Ų9546%0.45551%0.512SS..Hα-helixtrans-65.50.7176.9-57.70000115.6E1395 Q1633 G1634E1395-S1637 WeakPolarHBondContact OE1-CA 2.84Å; Q1633-S1637 PolarHBondContact O-N 2.79Å; Q1633-S1637 PolarHBondContact O-OG 2.75Å; G1634-S1637 CarbonylContact O-C 3.17Å; G1634-S1637 PolarHBondContact O-N 3.42Å
1638L55.2Low59.9Low123 Ų12391 Ų9164%0.64452%0.518SS*.Hα-helixtrans-117-35.8173.3-81.3167.1000111.8G1634 L1635 N1636 K1640 E1641G1634-L1638 WeakPolarHBondContact O-CB 3.09Å; G1634-L1638 WeakPolarHBondContact O-CD1 3.39Å; G1634-L1638 WeakPolarHBondContact O-CG 3.49Å; G1634-L1638 PolarHBondContact O-N 2.97Å; L1635-L1638 PolarHBondContact O-N 3.45Å; N1636-L1638 PolarHBondContact O-N 3.45Å; L1638-K1640 PolarHBondContact O-N 2.91Å; L1638-E1641 PolarHBondContact O-N 3.03Å
1639A56.1Low57Low82 Ų8289.9 Ų89.968%0.67852%0.52SS*.Hα-helixtrans-61.4-21.9170.400000112.4L1635 N1636L1635-A1639 WeakPolarHBondContact O-CB 3.32Å; L1635-A1639 PolarHBondContact O-N 3.47Å; N1636-A1639 PolarHBondContact O-N 3.4Å
1640K51Low54Low42 Ų4293.5 Ų93.518%0.18354%0.543CS..THydrogen-bonded Turntrans-128.423.5-175.1-62.3161.7177.4-173.80113.1V1393 S1394 E1395 T1396 N1636 L1638V1393-K1640 VanDerWaalsContact CG1-NZ 3.33Å; S1394-K1640 WeakPolarHBondContact OG-CE 3.48Å; S1394-K1640 PolarHBondContact OG-NZ 3.26Å; E1395-K1640 CarbonylContact C-O 3.15Å; E1395-K1640 HydrophobicContact CB-CB 3.82Å; E1395-K1640 HydrophobicContact CB-CD 4.24Å; E1395-K1640 HydrophobicContact CG-CB 3.85Å; E1395-K1640 VanDerWaalsContact CG-O 3.26Å; E1395-K1640 WeakPolarHBondContact CG-O 3.19Å; E1395-K1640 WeakPolarHBondContact OE1-CB 3.23Å; E1395-K1640 VanDerWaalsContact OE1-O 3.08Å; E1395-K1640 WeakPolarHBondContact OE2-CB 3.23Å; E1395-K1640 VanDerWaalsContact OE2-CD 3.32Å; E1395-K1640 WeakPolarHBondContact OE2-CD 3.38Å; T1396-K1640 VanDerWaalsContact CB-O 3.25Å; T1396-K1640 WeakPolarHBondContact CB-O 3.01Å; T1396-K1640 WeakPolarHBondContact CG2-O 3.45Å; T1396-K1640 WeakPolarHBondContact OG1-CA 3.49Å; T1396-K1640 PolarHBondContact OG1-O 2.9Å; N1636-K1640 WeakPolarHBondContact O-CB 3.32Å; N1636-K1640 PolarHBondContact O-N 3.39Å; N1636-K1640 VanDerWaalsContact O-N 3.12Å; L1638-K1640 PolarHBondContact O-N 2.91Å
1641E48.5Very low51.3Low118 Ų11893.6 Ų93.655%0.55156%0.556SS**  trans-13371.5151.5-109.9-168.1-160.100112.7T1396 L1638 L1643T1396-E1641 HydrophobicContact CG2-CB 4.21Å; T1396-E1641 HydrophobicContact CG2-CG 3.45Å; T1396-E1641 VanDerWaalsContact CG2-CG 3.45Å; L1638-E1641 PolarHBondContact O-N 3.03Å; E1641-L1643 PolarHBondContact O-N 2.91Å; E1641-L1643 VanDerWaalsContact O-N 3.1Å
1642P48.2Very low48.7Very low59 Ų5997.7 Ų97.738%0.38357%0.572SS.*  trans-62.7113.217523.4-32.3000111.6T1396 I1397 F1644T1396-P1642 VanDerWaalsContact OG1-CD 3.23Å; T1396-P1642 WeakPolarHBondContact OG1-CD 3.4Å; I1397-P1642 HydrophobicContact CB-CG 4.39Å; I1397-P1642 HydrophobicContact CD1-CG 3.8Å; I1397-P1642 HydrophobicContact CG1-CG 3.66Å; I1397-P1642 HydrophobicContact CG2-CG 4.04Å; P1642-F1644 PolarHBondContact O-N 2.8Å
1643L40.5Very low46.1Very low144 Ų144103.7 Ų103.775%0.75459%0.592SS**  trans-78.830.5-159.3-149.777.1000115.7E1641E1641-L1643 PolarHBondContact O-N 2.91Å; E1641-L1643 VanDerWaalsContact O-N 3.1Å
1644F37.5Very low44.2Very low178 Ų178104.6 Ų104.678%0.78160%0.601SS**  trans-135.493.6-176.2-67.9-70.1000112.3P1642P1642-F1644 PolarHBondContact O-N 2.8Å
1645Q32.8Very low42.1Very low94 Ų94110.5 Ų110.544%0.43962%0.617SS.*  trans-87.2122.6158.8-51-15431.100107.5G1398 N1399 H1400G1398-Q1645 VanDerWaalsContact C-CD 3.49Å; G1398-Q1645 WeakPolarHBondContact O-CG 3.18Å; N1399-Q1645 VanDerWaalsContact N-OE1 3.14Å; N1399-Q1645 WeakPolarHBondContact OD1-CA 2.86Å; H1400-Q1645 PolarHBondContact CE1-OE1 2.91Å; H1400-Q1645 PolarHBondContact ND1-OE1 3.24Å
1646S35Very low40Very low84 Ų84111.6 Ų111.659%0.58762%0.624SS**  trans-108.5114.2-177.755.30000110.4N1399 G1648N1399-S1646 PolarHBondContact OD1-N 3.35Å; N1399-S1646 PolarHBondContact OD1-OG 2.8Å; S1646-G1648 VanDerWaalsContact C-N 3.31Å; S1646-G1648 PolarHBondContact O-N 3.39Å
1647D31.3Very low37.5Very low97 Ų97115.7 Ų115.752%0.51964%0.64SS.*  trans-64.582.3178.7-70.3-71.4000112.8H1400 H1402 S1649H1400-D1647 WeakPolarHBondContact CB-OD1 3.26Å; H1400-D1647 IonicContact CD2-OD1 3.75Å; H1400-D1647 PolarHBondContact CD2-OD1 2.83Å; H1400-D1647 IonicContact CD2-OD2 3.69Å; H1400-D1647 IonicContact CG-OD1 3.74Å; H1402-D1647 IonicContact CD2-OD1 2.71Å; D1647-S1649 VanDerWaalsContact C-N 3.32Å; D1647-S1649 PolarHBondContact O-N 3.19Å
1648G30.4Very low35.7Very low65 Ų65122.5 Ų122.567%0.6766%0.662SS**  trans-88.252.4178.600000113.5S1646 C1650S1646-G1648 VanDerWaalsContact C-N 3.31Å; S1646-G1648 PolarHBondContact O-N 3.39Å; G1648-C1650 PolarHBondContact O-N 2.75Å
1649S26.9Very low34.5Very low73 Ų73124.3 Ų124.351%0.5167%0.667SS.*  trans-66.4115.1-178.3-1760000112.2D1647D1647-S1649 VanDerWaalsContact C-N 3.32Å; D1647-S1649 PolarHBondContact O-N 3.19Å
1650C26.1Very low33.4Very low130 Ų130125.3 Ų125.388%0.87867%0.667SS**  trans-138.6128.4162.5-82.30000109G1648G1648-C1650 PolarHBondContact O-N 2.75Å
1651S25.7Very low32.2Very low108 Ų108130 Ų13076%0.75569%0.692SS**  trans-91139.7178.952.50000111.3
1652E29.2Very low31.1Very low193 Ų193131.1 Ų131.190%0.90270%0.702SS**  trans-126.2118.9160.5-153.582.9-117.100107.8
1653E28.7Very low30.3Very low172 Ų172138.3 Ų138.380%0.80472%0.722SS**  trans-93.1141.6172.2-60.9176.9115.800109
1654N30.7Very low29.8Very low148 Ų148138.4 Ų138.479%0.79172%0.722SS**  trans-178.6-179.2141.9-106.8-59.3000114.6
1655K34.6Very low29.1Very low157 Ų157138.4 Ų138.468%0.68372%0.718SS**  trans78.877.4-178.2-54-177.1-175.7178.90111.5D842D842-K1655 IonicContact OD2-NZ 2.68Å; D842-K1655 PolarHBondContact OD2-NZ 2.94Å
1656N30.3Very low29Very low130 Ų130140.4 Ų140.470%0.69574%0.739SS**  79.4113.383.9-67.611.8000111.5
1657E24.6Very low28.7Very low167 Ų167142.2 Ų142.278%0.7874%0.742SS**  84.5100.764.2-174.2172.3-137.100112.6
1658F25.7Very low28.7Very low208 Ų208142.3 Ų142.391%0.91275%0.746SS**  trans-145.5133.3156.5-109.5-82.1000109.7
1659Q31.6Very low28.7Very low161 Ų161149.4 Ų149.475%0.75276%0.759SS**  trans-118.2149164.6-80.9-15356.900106.5
1660P32.7Very low28.8Very low104 Ų104150.9 Ų150.968%0.67577%0.765SS**  -155.6160.768.241.9-21.1000119.1
1661I24.8Very low28.8Very low139 Ų139151.7 Ų151.771%0.71376%0.759SS**  44.5120.7129.6-55.8166.3000116.5
1662N25.2Very low29Very low143 Ų143153.3 Ų153.377%0.76576%0.759SS**  -178.8172.970.5-147.6-27.9000114.6
1663R32.6Very low28.9Very low210 Ų210151 Ų15179%0.79275%0.752SS**  trans95.5105.3157.2-60.7-164.4179.1177.71.3122
1664L28.9Very low28.9Very low145 Ų145148.2 Ų148.276%0.75975%0.749SS**  trans73.3103.3130.9-79.1125.5000122.6
1665Y23.7Very low28.6Very low179 Ų179148.3 Ų148.370%0.70275%0.749SS**  trans55.2119130-85.6-88.9000121.7D1667Y1665-D1667 HydrophobicContact CD1-CB 3.94Å; Y1665-D1667 HydrophobicContact CE1-CB 4.19Å
1666P30.6Very low28.5Very low135 Ų135148.1 Ų148.188%0.87775%0.754SS**  -117.6152.3116.135.5-33.4000112.1
1667D28.8Very low28.4Very low122 Ų122147.7 Ų147.765%0.65275%0.752SS**  trans-122.5159.7-166.6-150.71.4000115.5Y1665Y1665-D1667 HydrophobicContact CD1-CB 3.94Å; Y1665-D1667 HydrophobicContact CE1-CB 4.19Å
1668V31Very low28.5Very low100 Ų100145.5 Ų145.561%0.60675%0.745SS**  trans23.7107.1172.8-155.10000119
1669K29.6Very low28.7Very low213 Ų213142.6 Ų142.693%0.92674%0.739SS**  -147.182.5129-124.7165.6-169.5168.60114.1
1670T29.2Very low28.5Very low105 Ų105142.3 Ų142.364%0.64474%0.742SS**  trans-48.5148.9167-270000112.9
1671I27.4Very low28.1Very low146 Ų146146.1 Ų146.175%0.74975%0.751SS**  -176.8131.3120.6-95.6157.2000111.5
1672N29.3Very low28.2Very low143 Ų143145 Ų14577%0.76575%0.75SS**  trans5790.6163.1-59.6-3.4000119.7
1673L26.9Very low28.2Very low143 Ų143145.9 Ų145.975%0.74975%0.752SS**  trans-66.4160147.4-67.666.9000109.2L1675L1673-L1675 HydrophobicContact CD2-CD1 4.26Å
1674P29.3Very low28Very low115 Ų115141.9 Ų141.975%0.74775%0.753SS**  -138.315189.437.5-25.8000115
1675L24.6Very low28Very low149 Ų149140.8 Ų140.878%0.7875%0.752SS**  trans-67.7123.2156.1-84.761.1000109.3L1673L1673-L1675 HydrophobicContact CD2-CD1 4.26Å
1676I31.4Very low28.2Very low154 Ų154139.5 Ų139.579%0.7976%0.757SS**  trans-141.193.5144.5-55.7-176.5000104.4
1677N27.7Very low28.3Very low121 Ų121138.1 Ų138.165%0.64775%0.748SS**  72.2113.973.1-156.894.5000112.7
1678D28.6Very low28.3Very low120 Ų120139.5 Ų139.564%0.64276%0.755SS**  trans39.8104.8162.3-51.2-28.2000119.6
1679N27.9Very low28.2Very low147 Ų147138.2 Ų138.279%0.78675%0.751SS**  -174.5119.4118.8-96.6-72.6000107.2Q1681N1679-Q1681 PolarHBondContact O-N 3.31Å
1680L28.1Very low28.2Very low155 Ų155133.4 Ų133.481%0.81274%0.739SS**  50.326.657.2-87.3142.4000114.5T1682L1680-T1682 PolarHBondContact O-N 3.23Å
1681Q24.8Very low28.1Very low184 Ų184129.9 Ų129.986%0.8672%0.718SS**  trans-74.982.3159.2-170.8140.77700110.6N1679N1679-Q1681 PolarHBondContact O-N 3.31Å
1682T27.1Very low28.3Very low116 Ų116128.4 Ų128.471%0.71271%0.712SS**  trans-16.4140.7157.747.20000116.7L1680L1680-T1682 PolarHBondContact O-N 3.23Å
1683M25.2Very low28.4Very low162 Ų162126.6 Ų126.680%0.79871%0.707SS**  trans-39.9129.9171.5-79-71.7167.700113.7T1685M1683-T1685 PolarHBondContact O-N 3.04Å
1684P28.8Very low28.4Very low126 Ų126123.8 Ų123.882%0.81871%0.713SS**  trans-74.272.1158.133.3-33000108.9L1686P1684-L1686 PolarHBondContact O-N 2.88Å
1685T27.2Very low28.3Very low121 Ų121126.2 Ų126.274%0.74272%0.719SS**  trans-53137.3164-53.20000108.1M1683M1683-T1685 PolarHBondContact O-N 3.04Å
1686L28.7Very low28.5Very low153 Ų153123.9 Ų123.980%0.80172%0.715SS**  trans-51.5138.4-175.2-73.7162.2000111.2P1684 D1688P1684-L1686 PolarHBondContact O-N 2.88Å; L1686-D1688 PolarHBondContact O-N 3.15Å
1687P32.4Very low28.4Very low106 Ų106124.7 Ų124.769%0.68872%0.716SS**  trans-69.396.4179.928.6-34.1000110.1
1688D30.1Very low28.6Very low150 Ų150125.3 Ų125.380%0.80272%0.717SS**  trans-67.8167.2175.2-146.5-23.8000111.7L1686L1686-D1688 PolarHBondContact O-N 3.15Å
1689S28.3Very low28.8Very low73 Ų73125.8 Ų125.851%0.5173%0.725SS.*  trans61.396.3-179.3-67.40000117
1690T28.2Very low29.1Very low112 Ų112124.1 Ų124.169%0.68771%0.712SS**  26.7145.3110.161.20000119.1
1691T29Very low29.1Very low31 Ų31120.3 Ų120.319%0.1970%0.697CS.*  -153.4140.8129.7-23.90000115.9T356 H357T356-T1691 VanDerWaalsContact CA-OG1 3.25Å; T356-T1691 WeakPolarHBondContact CA-OG1 3.02Å; T356-T1691 HydrophobicContact CG2-CG2 4.17Å; T356-T1691 PolarHBondContact N-OG1 3.14Å; T356-T1691 VanDerWaalsContact N-OG1 3.09Å; H357-T1691 WeakPolarHBondContact CA-OG1 3.28Å; H357-T1691 WeakPolarHBondContact CB-OG1 3.37Å; H357-T1691 PolarHBondContact CD2-N 3.29Å; H357-T1691 PolarHBondContact CD2-O 2.84Å; H357-T1691 VanDerWaalsContact CD2-O 3.23Å; H357-T1691 PolarHBondContact CE1-N 2.91Å; H357-T1691 PolarHBondContact N-OG1 3.2Å; H357-T1691 PolarHBondContact NE2-N 2.9Å; H357-T1691 PolarHBondContact NE2-O 2.93Å
1692D30.9Very low29.3Very low116 Ų116117.3 Ų117.362%0.6270%0.697SS**  trans75.8142.2149.6-75.2-13.7000120.4T356T356-D1692 VanDerWaalsContact CG2-OD2 3.3Å; T356-D1692 WeakPolarHBondContact CG2-OD2 3.2Å
1693P30.8Very low29.3Very low104 Ų104114.9 Ų114.968%0.67569%0.689SS**  trans-122.1129.3-143.918.45.8000113.3L1695P1693-L1695 PolarHBondContact O-N 2.91Å
1694G26.8Very low29.5Very low84 Ų84116.9 Ų116.987%0.86669%0.693SS**  trans-8376.3163.800000111.5S1696G1694-S1696 PolarHBondContact O-N 3.4Å
1695L28.4Very low29.6Very low166 Ų166117.3 Ų117.387%0.86969%0.694SS**  trans-78.4103.2169.3-76.9178.8000110.8P1693P1693-L1695 PolarHBondContact O-N 2.91Å
1696S29.1Very low29.6Very low101 Ų101117.2 Ų117.271%0.70669%0.693SS**  trans-154.390.5155.658.70000106.7G1694G1694-S1696 PolarHBondContact O-N 3.4Å
1697E29.1Very low29.8Very low171 Ų171115.6 Ų115.680%0.79969%0.692SS**  73.499.186.1-174.9176.3-138.500111.6
1698I31.5Very low29.5Very low133 Ų133117.8 Ų117.868%0.68270%0.697SS**  trans-173.5100.9137.6-87.9147000104E1700I1698-E1700 HydrophobicContact CG2-CG 3.81Å
1699V32.9Very low29.6Very low131 Ų131115.8 Ų115.879%0.79469%0.692SS**  trans-10790.7171.5177.10000107.1C1701V1699-C1701 PolarHBondContact O-N 3.25Å
1700E33.1Very low29.6Very low111 Ų111119.6 Ų119.652%0.51970%0.702SS.*PPolyproline II helixtrans-74.6122.5173.9-73-179.1175.600109.6S1502 I1698 S1702S1502-E1700 WeakPolarHBondContact CB-OE1 3.33Å; S1502-E1700 WeakPolarHBondContact CB-OE2 3.29Å; S1502-E1700 VanDerWaalsContact OG-CD 3.22Å; S1502-E1700 PolarHBondContact OG-OE2 3.39Å; I1698-E1700 HydrophobicContact CG2-CG 3.81Å; E1700-S1702 PolarHBondContact O-N 2.85Å
1701C29.4Very low29.6Very low75 Ų75123.7 Ų123.751%0.50771%0.705SS.*PPolyproline II helixtrans-76.7117.6-165.4-53.80000113.1V1699V1699-C1701 PolarHBondContact O-N 3.25Å
1702S29.1Very low29.7Very low121 Ų121126.2 Ų126.285%0.84672%0.72SS**PPolyproline II helixtrans-77.2117.3150.1-171.90000109.1E1700E1700-S1702 PolarHBondContact O-N 2.85Å
1703A27.3Very low29.5Very low66 Ų66122.7 Ų122.755%0.54570%0.701SS.*  trans-72.7-176163.700000110.9
1704F28.8Very low29.3Very low203 Ų203124 Ų12489%0.8970%0.698SS**  trans72.759.9174.1-57.4-78.5000117.4
1705T29.8Very low29.4Very low135 Ų135125.8 Ų125.883%0.82869%0.693SS**  -147131.3120.8-77.30000108.9P1707T1705-P1707 WeakPolarHBondContact O-CD 3.36Å
1706T28.2Very low29.2Very low119 Ų119126 Ų12673%0.7369%0.691SS**  trans-97.4107.9-177.645.50000110.7
1707P33.2Very low29.1Very low119 Ų119128.2 Ų128.277%0.77369%0.694SS**  trans-71.4132.4163.630.2-31.9000109.3T1705T1705-P1707 WeakPolarHBondContact O-CD 3.36Å
1708L26Very low28.8Very low152 Ų152126.1 Ų126.180%0.79670%0.698SS**  trans-73.3148.3172.3-92.372000110.4H1710L1708-H1710 PolarHBondContact O-N 3.49Å
1709P31.6Very low28.7Very low109 Ų109125.9 Ų125.971%0.70870%0.703SS**  trans-85.5115.1-172.332.3-33.5000112.5
1710H27.9Very low28.6Very low152 Ų152123.8 Ų123.870%0.70470%0.7SS**  trans-57.8134.2139.3-79.4-97000107.7F921 L1708F921-H1710 AromaticContact CD1-ND1 3.48Å; F921-H1710 WeakPolarHBondContact CD1-ND1 3.44Å; F921-H1710 AromaticContact CD2-ND1 3.81Å; F921-H1710 HydrophobicContact CE1-CB 4.35Å; F921-H1710 AromaticContact CE1-ND1 3.75Å; F921-H1710 HydrophobicContact CE2-CB 3.98Å; F921-H1710 AromaticContact CG-ND1 3.65Å; F921-H1710 HydrophobicContact CZ-CB 4Å; L1708-H1710 PolarHBondContact O-N 3.49Å
1711R28.3Very low28.4Very low198 Ų198124.1 Ų124.175%0.74771%0.711SS**  trans-80.7-135.4172.6-65.7179.4159.6166.1-4.2109.5F921F921-R1711 VanDerWaalsContact CE2-O 3.26Å; F921-R1711 WeakPolarHBondContact CE2-O 3.27Å; F921-R1711 HydrophobicContact CZ-CB 3.96Å; F921-R1711 WeakPolarHBondContact CZ-O 3.02Å
1712T31.4Very low28.2Very low85 Ų85128.4 Ų128.452%0.52172%0.724SS.*  trans-144.8138.1153.8-39.70000109.1
1713L26.1Very low28.2Very low42 Ų42128.4 Ų128.422%0.2271%0.714CS.*  trans-130.4176.8164.2-72.3-171.9000109.8E922 S924E922-L1713 HydrophobicContact CB-CD1 4.38Å; E922-L1713 HydrophobicContact CG-CD1 3.43Å; E922-L1713 VanDerWaalsContact CG-CD1 3.43Å; E922-L1713 HydrophobicContact CG-CG 4.15Å; S924-L1713 VanDerWaalsContact CB-CD1 3.49Å; S924-L1713 WeakPolarHBondContact OG-CD1 3.39Å
1714E27.6Very low28.1Very low131 Ų131132.6 Ų132.661%0.61273%0.727SS**  trans8253-156.4-63.4-61.7136.800114.7
1715T28.6Very low27.7Very low122 Ų122126.6 Ų126.675%0.74871%0.71SS**  trans-155.8129.5143.7-310000111.7
1716M25.1Very low27.4Very low169 Ų169127 Ų12783%0.83371%0.707SS**  trans66.8130.7-176.7-38.9-153.581.300113.5
1717L25.9Very low27.2Very low148 Ų148131.4 Ų131.478%0.77571%0.712SS**  cis-122.6135.616.6-74156.1000112.9
1718S23.3Very low26.7Very low127 Ų127132 Ų13289%0.88871%0.705SS**  trans-120.896.5155.4-830000108.8
1719V29.8Very low26.6Very low128 Ų128132.4 Ų132.478%0.77670%0.7SS**  trans-140.8123.4159.9-177.20000106.4
1720A29.5Very low26.3Very low88 Ų88136.6 Ų136.673%0.72771%0.707SS**  trans-89.9144.6-179.600000111.7
1721P29Very low26.5Very low117 Ų117134 Ų13476%0.7670%0.704SS**  -127.1149.8115.935.6-28.5000110.1
1722E25.5Very low26.3Very low165 Ų165132 Ų13277%0.77171%0.707SS**  cis63.679.115.2-136.3-161.6-98.700115.1
1723N28.5Very low25.9Very low121 Ų121134 Ų13465%0.64772%0.715SS**  176.7154.3108.7-101.5-77.4000115.3
1724L25.4Very low25.9Very low154 Ų154138.6 Ų138.681%0.80674%0.739SS**  trans62.2153158.6-60.8159.5000119.7
1725S21.7Very low25.7Very low77 Ų77138.2 Ų138.254%0.53875%0.746SS.*  178.5130.6-56.850.90000110.6
1726N22.9Very low25.8Very low144 Ų144142.7 Ų142.777%0.7776%0.755SS**  trans59.1169.6149.1-66.6-29.1000120.6
1727Y24.1Very low25.8Very low211 Ų211143.8 Ų143.883%0.82776%0.756SS**  trans74.6132.6175.1-59.3-72.7000116
1728Q23.6Very low25.9Very low133 Ų133145 Ų14562%0.62176%0.762SS**  cis-166.2140.4-4.2174.2169.3-11500113.4
1729K23.7Very low25.9Very low159 Ų159145.4 Ų145.469%0.69175%0.754SS**  trans60.4123.7160.7-72.9163.7-168.41580117.2
1730F23.9Very low25.6Very low198 Ų198147 Ų14787%0.86876%0.757SS**  cis58.414949.2-67.8-65.5000115.1
1731P33.5Very low25.6Very low97 Ų97147.7 Ų147.763%0.6375%0.754SS**  cis-137.9165.1-22.537.9-21.4000115.2
1732L22.9Very low25.3Very low157 Ų157146.1 Ų146.182%0.82274%0.743SS**  trans-169.4131135.2-124.164.5000106.6
1733N23.5Very low25.6Very low126 Ų126144.4 Ų144.467%0.67474%0.743SS**  cis62.990.945.2-70.70.3000114.5
1734N25Very low25.4Very low138 Ų138147 Ų14774%0.73875%0.751SS**  179.2109.6105.3-88.4-13.3000114.4
1735T24.6Very low25.3Very low124 Ų124147.7 Ų147.776%0.76176%0.756SS**  trans28.4103.9130.157.80000119.8
1736K30Very low25.5Very low215 Ų215147.4 Ų147.494%0.93577%0.766SS**  trans-125.794.5136.9-79.6-169.9176.5-178.30109.8L1738K1736-L1738 PolarHBondContact O-N 3.45Å
1737K26.2Very low25.7Very low193 Ų193150.9 Ų150.984%0.83977%0.768SS**  trans-77108.5157.3-81.1-174.6175.4-178.80107
1738L26.7Very low25.9Very low173 Ų173147.6 Ų147.691%0.90677%0.765SS**  trans-82.1114.6159.4-166.371.7000106.8K1736 L1740K1736-L1738 PolarHBondContact O-N 3.45Å; L1738-L1740 PolarHBondContact O-N 3.24Å
1739N23.7Very low26.3Very low136 Ų136150.1 Ų150.173%0.72778%0.776SS**PPolyproline II helixtrans-74.5123.5174.3-70.8-31.2000108.6
1740L24.3Very low26.6Very low161 Ų161151.3 Ų151.384%0.84378%0.782SS**PPolyproline II helixtrans-71.1129.5161.4-162.172.3000107.6L1738 T1742L1738-L1740 PolarHBondContact O-N 3.24Å; L1740-T1742 PolarHBondContact O-N 2.76Å
1741P28.3Very low26.7Very low102 Ų102150.9 Ų150.966%0.66278%0.78SS**PPolyproline II helixtrans-69.1118.9-175.626.6-33.7000110.9V1743P1741-V1743 HydrophobicContact CB-CG2 4.38Å; P1741-V1743 PolarHBondContact O-N 2.76Å
1742T24.1Very low26.5Very low84 Ų84151.9 Ų151.952%0.51578%0.784SS.*  trans-72.693.9164.5-52.10000108.4L1740L1740-T1742 PolarHBondContact O-N 2.76Å
1743V30.4Very low26.8Very low130 Ų130151.6 Ų151.679%0.78878%0.783SS**  trans-90.8133.7165.6-175.20000108.1P1741P1741-V1743 HydrophobicContact CB-CG2 4.38Å; P1741-V1743 PolarHBondContact O-N 2.76Å
1744Q24.6Very low27Very low174 Ų174153.2 Ų153.281%0.81379%0.785SS**  trans-103.9148-170.3-175.9173.4-13.700110.3G1746Q1744-G1746 PolarHBondContact O-N 3.06Å
1745N24.7Very low27.3Very low169 Ų169153.6 Ų153.690%0.90479%0.785SS**  trans-37.9124.8-174.5-63.8-2.4000114.8
1746G25.7Very low27.6Very low72 Ų72154.7 Ų154.774%0.74279%0.786SS**  trans-153.290.4175.700000112.4Q1744Q1744-G1746 PolarHBondContact O-N 3.06Å
1747R26.1Very low27.7Very low217 Ų217148.7 Ų148.782%0.81977%0.771SS**  trans49.6118.4159.4-69.6-163.6171.4152.9-2.2121.2E1749R1747-E1749 PolarHBondContact O-N 2.81Å
1748D27.5Very low28.1Very low142 Ų142145 Ų14576%0.75977%0.767SS**  62.334.2115.3-39.3-24.8000120.3K1750D1748-K1750 PolarHBondContact O-N 2.71Å
1749E33.6Very low28.3Very low185 Ų185144.6 Ų144.686%0.86476%0.76SS**  trans-74.1117.8154-71.2-164168.400109.9R1747R1747-E1749 PolarHBondContact O-N 2.81Å
1750K29.4Very low28.5Very low185 Ų185143 Ų14380%0.80476%0.76SS**  trans-59.7141.3175.6-72.9177.4176.51750109.7D1748 T1752D1748-K1750 PolarHBondContact O-N 2.71Å; K1750-T1752 PolarHBondContact O-N 2.89Å
1751F25.2Very low28.6Very low189 Ų189143.8 Ų143.883%0.82976%0.757SS**  trans-65.782.4160.9-81.1-113.2000109.3F1754F1751-F1754 HydrophobicContact CD1-CD2 4.11Å; F1751-F1754 HydrophobicContact CD1-CE2 4.05Å; F1751-F1754 HydrophobicContact CE1-CD2 4.34Å; F1751-F1754 AromaticContact CE1-CE2 3.85Å; F1751-F1754 HydrophobicContact CE1-CE2 3.85Å
1752T29.3Very low28.7Very low118 Ų118147.8 Ų147.872%0.72477%0.767SS**  trans-67.9144156.2400000108.7K1750 F1754K1750-T1752 PolarHBondContact O-N 2.89Å; T1752-F1754 PolarHBondContact O-N 3.41Å
1753D29.3Very low28.9Very low150 Ų150150.7 Ų150.780%0.80278%0.778SS**  trans-26.4121.4-170.2-59-45000115.1I1755D1753-I1755 PolarHBondContact O-N 3.16Å
1754F27.8Very low28.9Very low160 Ų160149.3 Ų149.370%0.70277%0.774SS**  trans-62.889171-122.1-103.8000108.7F1751 T1752 L1756F1751-F1754 HydrophobicContact CD1-CD2 4.11Å; F1751-F1754 HydrophobicContact CD1-CE2 4.05Å; F1751-F1754 HydrophobicContact CE1-CD2 4.34Å; F1751-F1754 AromaticContact CE1-CE2 3.85Å; F1751-F1754 HydrophobicContact CE1-CE2 3.85Å; T1752-F1754 PolarHBondContact O-N 3.41Å; F1754-L1756 VanDerWaalsContact C-N 3.25Å; F1754-L1756 PolarHBondContact O-N 2.8Å
1755I31.6Very low29.3Very low146 Ų146146.4 Ų146.475%0.74977%0.773SS**  trans-57.3102.4157.6-59.6177.7000104.1D1753 S1757D1753-I1755 PolarHBondContact O-N 3.16Å; I1755-S1757 PolarHBondContact O-N 2.87Å
1756L30.7Very low29.7Very low147 Ų147145.6 Ų145.677%0.7777%0.769SS**  trans-6575.1162.4-74.5169.7000106.7F1754F1754-L1756 VanDerWaalsContact C-N 3.25Å; F1754-L1756 PolarHBondContact O-N 2.8Å
1757S31.7Very low30Very low89 Ų89149.7 Ų149.762%0.62277%0.767SS**  trans-53.8121.5169.7-175.20000105.3I1755 Q1759I1755-S1757 PolarHBondContact O-N 2.87Å; S1757-Q1759 PolarHBondContact O-N 3.49Å
1758P35.4Very low30.8Very low117 Ų117144.3 Ų144.376%0.7675%0.754SS**  trans-68.289.7-178.127.6-33.1000107.2S1760P1758-S1760 PolarHBondContact O-N 3.26Å
1759Q30Very low31.4Very low164 Ų164142.7 Ų142.777%0.76675%0.751SS**  trans-61.7104179.9-172.9170.616.800106.4S1757 F1761S1757-Q1759 PolarHBondContact O-N 3.49Å; Q1759-F1761 PolarHBondContact O-N 2.92Å
1760S29.7Very low32Very low103 Ų103141 Ų14172%0.7275%0.748SS**  trans-66.598.8-170.538.40000108.7P1758 Q1762P1758-S1760 PolarHBondContact O-N 3.26Å; S1760-Q1762 PolarHBondContact O-N 2.92Å
1761F26.4Very low32.7Very low176 Ų176135.9 Ų135.977%0.77274%0.735SS**  trans-54.6107.4168.5-71.4-78.8000107.5Q1759 L1763Q1759-F1761 PolarHBondContact O-N 2.92Å; F1761-L1763 PolarHBondContact O-N 3.5Å
1762Q29.5Very low33.6Very low187 Ų187132 Ų13287%0.87473%0.732SS**  trans-66.299177.6-73.1-174-32.300107.8S1760 S1764S1760-Q1762 PolarHBondContact O-N 2.92Å; Q1762-S1764 VanDerWaalsContact C-N 3.34Å; Q1762-S1764 PolarHBondContact O-N 3.32Å
1763L28.2Very low34.6Very low145 Ų145130.7 Ų130.776%0.75972%0.72SS**  trans-60.598.9168.9-76.5164.6000107.8F1761 S1765F1761-L1763 PolarHBondContact O-N 3.5Å; L1763-S1765 PolarHBondContact O-N 3.33Å
1764S30.9Very low35.8Very low101 Ų101128.4 Ų128.471%0.70671%0.714SS**  trans-57.5127.8177.652.50000109.4Q1762 N1766Q1762-S1764 VanDerWaalsContact C-N 3.34Å; Q1762-S1764 PolarHBondContact O-N 3.32Å; S1764-N1766 PolarHBondContact O-N 3.12Å
1765S31.8Very low37.2Very low112 Ų112126 Ų12678%0.78371%0.708SS**SBendtrans-75.932.9-164.759.90000115.8L1763 F1767L1763-S1765 PolarHBondContact O-N 3.33Å; S1765-F1767 PolarHBondContact O-N 2.77Å
1766N34.9Very low38.4Very low153 Ų153125.3 Ų125.382%0.81870%0.702SS**  trans-95.278.6169.7-79.8-3000109.4S1764 D1768S1764-N1766 PolarHBondContact O-N 3.12Å; N1766-D1768 PolarHBondContact O-N 2.86Å
1767F30.6Very low39.8Very low158 Ų158121.2 Ų121.269%0.69369%0.686SS**  trans-80.3103.3167.7-89.3-94.8000109.6S1765S1765-F1767 PolarHBondContact O-N 2.77Å
1768D42.5Very low41.5Very low104 Ų104119.3 Ų119.356%0.55668%0.675SS**  trans-109.3103.8162.8-169.1-19.2000108.5N1766 D1770 S1771N1766-D1768 PolarHBondContact O-N 2.86Å; D1768-D1770 PolarHBondContact O-N 3.1Å; D1768-D1770 PolarHBondContact OD1-N 3Å; D1768-S1771 PolarHBondContact O-N 3.47Å; D1768-S1771 PolarHBondContact O-OG 3.25Å
1769P41.8Very low43.3Very low107 Ų107118.7 Ų118.770%0.69566%0.664SS**THydrogen-bonded Turntrans-71.4-14.4-171.229.5-35.5000114
1770D46.3Very low45.4Very low150 Ų150116.1 Ų116.180%0.80265%0.648SS**THydrogen-bonded Turntrans-83.7-16-178.8-77.1-16.6000112.6D1768 S1772D1768-D1770 PolarHBondContact O-N 3.1Å; D1768-D1770 PolarHBondContact OD1-N 3Å; D1770-S1772 VanDerWaalsContact C-N 3.31Å; D1770-S1772 PolarHBondContact O-N 3.46Å
1771S43.9Very low47.5Very low77 Ų77118.4 Ų118.454%0.53864%0.642SS.*  trans-83.567.617466.50000112.7D1768 D1773D1768-S1771 PolarHBondContact O-N 3.47Å; D1768-S1771 PolarHBondContact O-OG 3.25Å; S1771-D1773 PolarHBondContact O-N 3.25Å
1772S42.6Very low50Low108 Ų108113.3 Ų113.376%0.75563%0.628SS**  trans-69.766.8174.5-69.10000113.2D1770D1770-S1772 VanDerWaalsContact C-N 3.31Å; D1770-S1772 PolarHBondContact O-N 3.46Å
1773D51Low52.8Low91 Ų91108.4 Ų108.449%0.48761%0.608SS.*  trans-70.8122.2169.8-170.5-43000109.6S1771 N1775 E1776S1771-D1773 PolarHBondContact O-N 3.25Å; D1773-N1775 PolarHBondContact O-N 3.42Å; D1773-N1775 WeakPolarHBondContact OD1-CB 3.14Å; D1773-N1775 PolarHBondContact OD1-N 2.96Å; D1773-N1775 PolarHBondContact OD1-ND2 3.28Å; D1773-E1776 PolarHBondContact O-N 3.44Å
1774P54.6Low55.7Low102 Ų102105.1 Ų105.166%0.66259%0.589SS**Hα-helixtrans-59.5-20.1-177.823.6-34000114.2E1776 S1777 A1778P1774-E1776 VanDerWaalsContact C-N 3.32Å; P1774-E1776 PolarHBondContact O-N 2.76Å; P1774-S1777 PolarHBondContact O-N 3.41Å; P1774-S1777 PolarHBondContact O-OG 2.74Å; P1774-A1778 PolarHBondContact O-N 3.36Å
1775N57Low58.4Low109 Ų109104.1 Ų104.158%0.58358%0.579SS**Hα-helixtrans-62.4-34.1173.8-77.3-45.2000113.2D1773 S1777 A1778 I1779D1773-N1775 PolarHBondContact O-N 3.42Å; D1773-N1775 WeakPolarHBondContact OD1-CB 3.14Å; D1773-N1775 PolarHBondContact OD1-N 2.96Å; D1773-N1775 PolarHBondContact OD1-ND2 3.28Å; N1775-S1777 VanDerWaalsContact C-N 3.32Å; N1775-S1777 PolarHBondContact O-N 3.15Å; N1775-A1778 WeakPolarHBondContact O-CA 3.41Å; N1775-A1778 WeakPolarHBondContact O-CB 3.23Å; N1775-A1778 PolarHBondContact O-N 3.32Å; N1775-I1779 PolarHBondContact O-N 3.04Å
1776E58.1Low61.1Low132 Ų132102.2 Ų102.262%0.61756%0.56SS**Hα-helixtrans-68.4-35.6-177.6-167.9170.4-124.200111.4D1773 P1774 A1778 I1779 Y1780D1773-E1776 PolarHBondContact O-N 3.44Å; P1774-E1776 VanDerWaalsContact C-N 3.32Å; P1774-E1776 PolarHBondContact O-N 2.76Å; E1776-A1778 VanDerWaalsContact C-N 3.27Å; E1776-A1778 PolarHBondContact O-N 2.86Å; E1776-I1779 PolarHBondContact O-N 2.91Å; E1776-Y1780 PolarHBondContact O-N 2.73Å
1777S59.3Low63.7Low61 Ų6198 Ų9843%0.42754%0.54SS..Hα-helixtrans-60.5-37.3169.879.30000112.1P1774 N1775 Y1780 Y1781P1774-S1777 PolarHBondContact O-N 3.41Å; P1774-S1777 PolarHBondContact O-OG 2.74Å; N1775-S1777 VanDerWaalsContact C-N 3.32Å; N1775-S1777 PolarHBondContact O-N 3.15Å; S1777-Y1780 PolarHBondContact O-N 3.28Å; S1777-Y1781 WeakPolarHBondContact O-CD2 3.44Å; S1777-Y1781 PolarHBondContact O-N 3.43Å
1778A66.9Low66.7Low48 Ų4895.4 Ų95.440%0.39753%0.532SS..Hα-helixtrans-69.2-37177.100000112P1774 N1775 E1776 Y1781 S1782P1774-A1778 PolarHBondContact O-N 3.36Å; N1775-A1778 WeakPolarHBondContact O-CA 3.41Å; N1775-A1778 WeakPolarHBondContact O-CB 3.23Å; N1775-A1778 PolarHBondContact O-N 3.32Å; E1776-A1778 VanDerWaalsContact C-N 3.27Å; E1776-A1778 PolarHBondContact O-N 2.86Å; A1778-Y1781 PolarHBondContact O-N 3.3Å; A1778-S1782 WeakPolarHBondContact O-CB 3.38Å; A1778-S1782 PolarHBondContact O-N 2.72Å; A1778-S1782 PolarHBondContact O-OG 3.14Å; A1778-S1782 VanDerWaalsContact O-OG 3.14Å
1779I74.3Confident69Low105 Ų10596.8 Ų96.854%0.53853%0.529SS..Hα-helixtrans-63.6-46.1172.6-65.1168.6000110.6N1775 E1776 Y1781 S1782 L1783N1775-I1779 PolarHBondContact O-N 3.04Å; E1776-I1779 PolarHBondContact O-N 2.91Å; I1779-Y1781 PolarHBondContact O-N 2.92Å; I1779-S1782 PolarHBondContact O-N 3.4Å; I1779-L1783 HydrophobicContact CG2-CD1 4.04Å; I1779-L1783 WeakPolarHBondContact O-CG 3.45Å; I1779-L1783 PolarHBondContact O-N 2.9Å
1780Y72.4Confident71.4Confident110 Ų11098 Ų9843%0.43152%0.521SS..Hα-helixtrans-62.6-42.8177.7-176.1-104.8000112.3E1776 S1777 L1783 M1784E1776-Y1780 PolarHBondContact O-N 2.73Å; S1777-Y1780 PolarHBondContact O-N 3.28Å; Y1780-L1783 PolarHBondContact O-N 2.98Å; Y1780-M1784 HydrophobicContact CD1-CE 4.31Å; Y1780-M1784 HydrophobicContact CE1-CE 3.47Å; Y1780-M1784 VanDerWaalsContact CE1-CE 3.47Å; Y1780-M1784 WeakPolarHBondContact O-CB 3.23Å; Y1780-M1784 PolarHBondContact O-N 2.84Å
1781Y75.7Confident73.7Confident150 Ų15094.9 Ų94.959%0.58850%0.504SS*.Hα-helixtrans-65.2-39.6173.9-76.8-56.5000112.7S1777 A1778 I1779 M1784 V1785S1777-Y1781 WeakPolarHBondContact O-CD2 3.44Å; S1777-Y1781 PolarHBondContact O-N 3.43Å; A1778-Y1781 PolarHBondContact O-N 3.3Å; I1779-Y1781 PolarHBondContact O-N 2.92Å; Y1781-M1784 PolarHBondContact O-N 2.96Å; Y1781-V1785 WeakPolarHBondContact O-CB 3.44Å; Y1781-V1785 VanDerWaalsContact O-CG2 3.3Å; Y1781-V1785 WeakPolarHBondContact O-CG2 3.44Å; Y1781-V1785 PolarHBondContact O-N 2.79Å
1782S78.2Confident76Confident69 Ų6994.1 Ų94.148%0.48350%0.499SS..Hα-helixtrans-59.2-51.4173.3-73.90000111.7A1778 I1779 M1784 V1785 D1786A1778-S1782 WeakPolarHBondContact O-CB 3.38Å; A1778-S1782 PolarHBondContact O-N 2.72Å; A1778-S1782 PolarHBondContact O-OG 3.14Å; A1778-S1782 VanDerWaalsContact O-OG 3.14Å; I1779-S1782 PolarHBondContact O-N 3.4Å; S1782-M1784 VanDerWaalsContact C-N 3.32Å; S1782-M1784 PolarHBondContact O-N 3.23Å; S1782-V1785 PolarHBondContact O-N 3.5Å; S1782-D1786 WeakPolarHBondContact O-CB 3.3Å; S1782-D1786 PolarHBondContact O-N 2.81Å
1783L88.1Confident78.4Confident85 Ų8593.2 Ų93.245%0.44549%0.485SS..Hα-helixtrans-59.2-40.7178-73.9168.8000112.3I1779 Y1780 T1787I1779-L1783 HydrophobicContact CG2-CD1 4.04Å; I1779-L1783 WeakPolarHBondContact O-CG 3.45Å; I1779-L1783 PolarHBondContact O-N 2.9Å; Y1780-L1783 PolarHBondContact O-N 2.98Å; L1783-T1787 WeakPolarHBondContact O-CB 3.25Å; L1783-T1787 PolarHBondContact O-N 3.5Å; L1783-T1787 PolarHBondContact O-OG1 2.88Å
1784M89.3Confident80.5Confident76 Ų7691.4 Ų91.437%0.37447%0.472SS..Hα-helixtrans-64.2-45.6175.9-174.8-178.2-66.300111.8Y1780 Y1781 S1782 T1787 I1788Y1780-M1784 HydrophobicContact CD1-CE 4.31Å; Y1780-M1784 HydrophobicContact CE1-CE 3.47Å; Y1780-M1784 VanDerWaalsContact CE1-CE 3.47Å; Y1780-M1784 WeakPolarHBondContact O-CB 3.23Å; Y1780-M1784 PolarHBondContact O-N 2.84Å; Y1781-M1784 PolarHBondContact O-N 2.96Å; S1782-M1784 VanDerWaalsContact C-N 3.32Å; S1782-M1784 PolarHBondContact O-N 3.23Å; M1784-T1787 PolarHBondContact O-N 3.37Å; M1784-I1788 HydrophobicContact CG-CD1 3.93Å; M1784-I1788 VanDerWaalsContact O-CG1 3.28Å; M1784-I1788 WeakPolarHBondContact O-CG1 3.42Å; M1784-I1788 PolarHBondContact O-N 3.2Å
1785V86.7Confident82.4Confident80 Ų8091.5 Ų91.549%0.48547%0.467SS..Hα-helixtrans-65.9-40.7178.5171.20000111.4Y1781 S1782 I1788 R1789Y1781-V1785 WeakPolarHBondContact O-CB 3.44Å; Y1781-V1785 VanDerWaalsContact O-CG2 3.3Å; Y1781-V1785 WeakPolarHBondContact O-CG2 3.44Å; Y1781-V1785 PolarHBondContact O-N 2.79Å; S1782-V1785 PolarHBondContact O-N 3.5Å; V1785-I1788 PolarHBondContact O-N 2.8Å; V1785-R1789 WeakPolarHBondContact O-CB 3.18Å; V1785-R1789 PolarHBondContact O-N 3.33Å
1786D88.1Confident84.1Confident71 Ų7194.8 Ų94.838%0.3847%0.471SS..Hα-helixtrans-64.5-40.5174.9-71.5-25.6000111.8S1782 R1789 Y1790S1782-D1786 WeakPolarHBondContact O-CB 3.3Å; S1782-D1786 PolarHBondContact O-N 2.81Å; D1786-R1789 WeakPolarHBondContact O-CB 3.31Å; D1786-R1789 PolarHBondContact O-N 3.31Å; D1786-R1789 IonicContact OD1-CZ 3.37Å; D1786-R1789 IonicContact OD1-NH1 2.72Å; D1786-R1789 PolarHBondContact OD1-NH1 3.22Å; D1786-R1789 IonicContact OD1-NH2 2.8Å; D1786-R1789 PolarHBondContact OD1-NH2 3.48Å; D1786-Y1790 WeakPolarHBondContact O-CB 3.44Å; D1786-Y1790 PolarHBondContact O-N 2.79Å
1787T90.8Very high85.6Confident65 Ų6593.8 Ų93.840%0.39947%0.466SS..Hα-helixtrans-64.3-43.9175.9-56.90000111.8L1783 M1784 R1789 Y1790 L1791L1783-T1787 WeakPolarHBondContact O-CB 3.25Å; L1783-T1787 PolarHBondContact O-N 3.5Å; L1783-T1787 PolarHBondContact O-OG1 2.88Å; M1784-T1787 PolarHBondContact O-N 3.37Å; T1787-R1789 VanDerWaalsContact C-N 3.34Å; T1787-Y1790 PolarHBondContact O-N 2.9Å; T1787-L1791 WeakPolarHBondContact O-CB 3.48Å; T1787-L1791 PolarHBondContact O-N 2.97Å
1788I93.5Very high87.2Confident104 Ų10495.7 Ų95.753%0.53347%0.467SS..Hα-helixtrans-64.4-39.2175.2-68.5165.8000110.9M1784 V1785 S1792M1784-I1788 HydrophobicContact CG-CD1 3.93Å; M1784-I1788 VanDerWaalsContact O-CG1 3.28Å; M1784-I1788 WeakPolarHBondContact O-CG1 3.42Å; M1784-I1788 PolarHBondContact O-N 3.2Å; V1785-I1788 PolarHBondContact O-N 2.8Å; I1788-S1792 WeakPolarHBondContact O-CB 3.15Å; I1788-S1792 PolarHBondContact O-N 2.73Å; I1788-S1792 PolarHBondContact O-OG 3.49Å
1789R90.9Very high88.4Confident132 Ų13296.8 Ų96.850%0.49847%0.472SS..Hα-helixtrans-63.5-45.5175.6-162.4-169.9-52132.811.4111.3V1785 D1786 T1787 S1792 I1793V1785-R1789 WeakPolarHBondContact O-CB 3.18Å; V1785-R1789 PolarHBondContact O-N 3.33Å; D1786-R1789 WeakPolarHBondContact O-CB 3.31Å; D1786-R1789 PolarHBondContact O-N 3.31Å; D1786-R1789 IonicContact OD1-CZ 3.37Å; D1786-R1789 IonicContact OD1-NH1 2.72Å; D1786-R1789 PolarHBondContact OD1-NH1 3.22Å; D1786-R1789 IonicContact OD1-NH2 2.8Å; D1786-R1789 PolarHBondContact OD1-NH2 3.48Å; T1787-R1789 VanDerWaalsContact C-N 3.34Å; R1789-S1792 WeakPolarHBondContact CA-OG 3.06Å; R1789-S1792 PolarHBondContact O-OG 2.83Å; R1789-S1792 VanDerWaalsContact O-OG 3.08Å; R1789-I1793 HydrophobicContact CG-CD1 4.23Å; R1789-I1793 WeakPolarHBondContact O-CD1 3.46Å; R1789-I1793 VanDerWaalsContact O-CG1 3.25Å; R1789-I1793 WeakPolarHBondContact O-CG1 3.42Å; R1789-I1793 PolarHBondContact O-N 3Å
1790Y91.2Very high89.1Confident133 Ų13396.1 Ų96.152%0.52247%0.47SS..Hα-helixtrans-62.3-47.5176.9179-97.1000112.1D1786 T1787 I1793 K1794D1786-Y1790 WeakPolarHBondContact O-CB 3.44Å; D1786-Y1790 PolarHBondContact O-N 2.79Å; T1787-Y1790 PolarHBondContact O-N 2.9Å; Y1790-I1793 PolarHBondContact O-N 2.98Å; Y1790-K1794 HydrophobicContact CE1-CD 3.83Å; Y1790-K1794 PolarHBondContact O-N 2.81Å; Y1790-K1794 WeakPolarHBondContact OH-CE 3.16Å; Y1790-K1794 PolarHBondContact OH-NZ 3.05Å; Y1790-K1794 VanDerWaalsContact OH-NZ 3.08Å
1791L95.2Very high90Very high85 Ų8597.3 Ų97.345%0.44548%0.477SS..Hα-helixtrans-63.1-43.7178.8-179.459.9000112T1787 I1793 K1794 L1795T1787-L1791 WeakPolarHBondContact O-CB 3.48Å; T1787-L1791 PolarHBondContact O-N 2.97Å; L1791-I1793 PolarHBondContact O-N 2.79Å; L1791-K1794 PolarHBondContact O-N 2.81Å; L1791-L1795 HydrophobicContact CD1-CD1 4.25Å; L1791-L1795 HydrophobicContact CD1-CG 4.24Å; L1791-L1795 HydrophobicContact CG-CD1 4.01Å; L1791-L1795 HydrophobicContact CG-CG 4.44Å; L1791-L1795 WeakPolarHBondContact O-CB 3.24Å; L1791-L1795 WeakPolarHBondContact O-CG 3.34Å; L1791-L1795 PolarHBondContact O-N 3.21Å
1792S91.9Very high90.7Very high61 Ų6195.1 Ų95.143%0.42748%0.475SS..Hα-helixtrans-67.9-32.1178.652.40000113.5I1788 R1789 R1796I1788-S1792 WeakPolarHBondContact O-CB 3.15Å; I1788-S1792 PolarHBondContact O-N 2.73Å; I1788-S1792 PolarHBondContact O-OG 3.49Å; R1789-S1792 WeakPolarHBondContact CA-OG 3.06Å; R1789-S1792 PolarHBondContact O-OG 2.83Å; R1789-S1792 VanDerWaalsContact O-OG 3.08Å; S1792-R1796 WeakPolarHBondContact O-CB 3.32Å; S1792-R1796 PolarHBondContact O-N 2.92Å
1793I93.8Very high90.9Very high89 Ų8994.5 Ų94.546%0.45647%0.474SS..Hα-helixtrans-64.5-47.5169.5-69.9164.9000110.7R1789 Y1790 L1791 R1796 Q1797R1789-I1793 HydrophobicContact CG-CD1 4.23Å; R1789-I1793 WeakPolarHBondContact O-CD1 3.46Å; R1789-I1793 VanDerWaalsContact O-CG1 3.25Å; R1789-I1793 WeakPolarHBondContact O-CG1 3.42Å; R1789-I1793 PolarHBondContact O-N 3Å; Y1790-I1793 PolarHBondContact O-N 2.98Å; L1791-I1793 PolarHBondContact O-N 2.79Å; I1793-R1796 PolarHBondContact O-N 3.36Å; I1793-Q1797 WeakPolarHBondContact O-CG 3.25Å; I1793-Q1797 PolarHBondContact O-N 3.5Å
1794K95.1Very high90.2Very high52 Ų5298.2 Ų98.223%0.22648%0.483CS..Hα-helixtrans-60-46.3176.3-94.1-171.7166.3-179.50112.5Y1790 L1791 R1796 Q1797 F1798Y1790-K1794 HydrophobicContact CE1-CD 3.83Å; Y1790-K1794 PolarHBondContact O-N 2.81Å; Y1790-K1794 WeakPolarHBondContact OH-CE 3.16Å; Y1790-K1794 PolarHBondContact OH-NZ 3.05Å; Y1790-K1794 VanDerWaalsContact OH-NZ 3.08Å; L1791-K1794 PolarHBondContact O-N 2.81Å; K1794-R1796 VanDerWaalsContact C-N 3.29Å; K1794-R1796 PolarHBondContact O-N 2.8Å; K1794-Q1797 PolarHBondContact O-N 3.42Å; K1794-F1798 HydrophobicContact CB-CE2 4.34Å; K1794-F1798 WeakPolarHBondContact O-CD2 3.16Å; K1794-F1798 PolarHBondContact O-N 3.12Å
1795L94.7Very high89.5Confident105 Ų10599.1 Ų99.155%0.5548%0.482SS..Hα-helixtrans-61.5-37.3178.1-72.3171.5000112.1L1791 F1798 S1799L1791-L1795 HydrophobicContact CD1-CD1 4.25Å; L1791-L1795 HydrophobicContact CD1-CG 4.24Å; L1791-L1795 HydrophobicContact CG-CD1 4.01Å; L1791-L1795 HydrophobicContact CG-CG 4.44Å; L1791-L1795 WeakPolarHBondContact O-CB 3.24Å; L1791-L1795 WeakPolarHBondContact O-CG 3.34Å; L1791-L1795 PolarHBondContact O-N 3.21Å; L1795-F1798 PolarHBondContact O-N 2.58Å; L1795-S1799 WeakPolarHBondContact O-CB 3.47Å; L1795-S1799 PolarHBondContact O-N 3.31Å
1796R91.6Very high89.1Confident178 Ų178100.5 Ų100.567%0.67249%0.486SS*.Hα-helixtrans-63.4-51.1171.7-176165.4-65.9161.52.1111.4S1792 I1793 K1794 F1798 S1799 D1800S1792-R1796 WeakPolarHBondContact O-CB 3.32Å; S1792-R1796 PolarHBondContact O-N 2.92Å; I1793-R1796 PolarHBondContact O-N 3.36Å; K1794-R1796 VanDerWaalsContact C-N 3.29Å; K1794-R1796 PolarHBondContact O-N 2.8Å; R1796-F1798 VanDerWaalsContact C-N 3.25Å; R1796-F1798 PolarHBondContact O-N 2.91Å; R1796-S1799 CarbonylContact O-C 3.31Å; R1796-S1799 WeakPolarHBondContact O-CA 3.33Å; R1796-S1799 WeakPolarHBondContact O-CB 3.32Å; R1796-S1799 PolarHBondContact O-N 3.46Å; R1796-D1800 WeakPolarHBondContact CG-OD2 3.27Å; R1796-D1800 PolarHBondContact O-N 3.16Å
1797Q90.1Very high88.3Confident111 Ų11199.8 Ų99.852%0.51949%0.487SS..Hα-helixtrans-57.1-34.8176.9-71177.1-14.800113.6I1793 K1794 K1801I1793-Q1797 WeakPolarHBondContact O-CG 3.25Å; I1793-Q1797 PolarHBondContact O-N 3.5Å; K1794-Q1797 PolarHBondContact O-N 3.42Å; Q1797-K1801 WeakPolarHBondContact O-CB 3.3Å; Q1797-K1801 WeakPolarHBondContact O-CG 3.37Å; Q1797-K1801 PolarHBondContact O-N 2.98Å; Q1797-K1801 VanDerWaalsContact O-N 3.13Å
1798F93.9Very high86.8Confident100 Ų100102.3 Ų102.344%0.43949%0.49SS..Hα-helixtrans-72-41.2172.7-71.8-58.1000112.5K1794 L1795 R1796 K1801 L1802 L1859K1794-F1798 HydrophobicContact CB-CE2 4.34Å; K1794-F1798 WeakPolarHBondContact O-CD2 3.16Å; K1794-F1798 PolarHBondContact O-N 3.12Å; L1795-F1798 PolarHBondContact O-N 2.58Å; R1796-F1798 VanDerWaalsContact C-N 3.25Å; R1796-F1798 PolarHBondContact O-N 2.91Å; F1798-K1801 PolarHBondContact O-N 2.59Å; F1798-L1802 WeakPolarHBondContact O-CB 3.49Å; F1798-L1802 PolarHBondContact O-N 2.8Å; F1798-L1859 HydrophobicContact CZ-CD1 4.17Å
1799S90.5Very high84.8Confident72 Ų72102.3 Ų102.350%0.50349%0.491SS..Hα-helixtrans-59.8-44.9173.7-1710000111.7L1795 R1796 L1802 A1803L1795-S1799 WeakPolarHBondContact O-CB 3.47Å; L1795-S1799 PolarHBondContact O-N 3.31Å; R1796-S1799 CarbonylContact O-C 3.31Å; R1796-S1799 WeakPolarHBondContact O-CA 3.33Å; R1796-S1799 WeakPolarHBondContact O-CB 3.32Å; R1796-S1799 PolarHBondContact O-N 3.46Å; S1799-L1802 PolarHBondContact O-N 3.22Å; S1799-A1803 WeakPolarHBondContact O-CB 3.39Å; S1799-A1803 PolarHBondContact O-N 3.36Å
1800D89.7Confident82.9Confident91 Ų91101.5 Ų101.549%0.48749%0.493SS..Hα-helixtrans-67-41.2-179.2-56.1-25.2000110.8R1796 A1803 Y1804R1796-D1800 WeakPolarHBondContact CG-OD2 3.27Å; R1796-D1800 PolarHBondContact O-N 3.16Å; D1800-A1803 PolarHBondContact O-N 3.17Å; D1800-Y1804 WeakPolarHBondContact O-CB 3.42Å; D1800-Y1804 PolarHBondContact O-N 3.49Å
1801K91.5Very high80.8Confident135 Ų135102.2 Ų102.259%0.58750%0.501SS*.Hα-helixtrans-65.7-34.7173.1-78-178.6176.5-174.90113.1Q1797 F1798 R1805Q1797-K1801 WeakPolarHBondContact O-CB 3.3Å; Q1797-K1801 WeakPolarHBondContact O-CG 3.37Å; Q1797-K1801 PolarHBondContact O-N 2.98Å; Q1797-K1801 VanDerWaalsContact O-N 3.13Å; F1798-K1801 PolarHBondContact O-N 2.59Å; K1801-R1805 WeakPolarHBondContact O-CG 3.27Å; K1801-R1805 PolarHBondContact O-N 3.29Å; K1801-R1805 VanDerWaalsContact O-N 3.1Å
1802L89.9Confident78.2Confident104 Ų104103.7 Ų103.755%0.54551%0.506SS..Hα-helixtrans-70.5-43.9175.2-178.761.2000111.2F1798 S1799 Y1804 R1805 L1806F1798-L1802 WeakPolarHBondContact O-CB 3.49Å; F1798-L1802 PolarHBondContact O-N 2.8Å; S1799-L1802 PolarHBondContact O-N 3.22Å; L1802-Y1804 VanDerWaalsContact C-N 3.34Å; L1802-Y1804 PolarHBondContact O-N 2.75Å; L1802-R1805 PolarHBondContact O-N 3.46Å; L1802-L1806 HydrophobicContact CG-CD1 4.25Å; L1802-L1806 WeakPolarHBondContact O-CG 3.41Å; L1802-L1806 PolarHBondContact O-N 3.14Å
1803A82.2Confident75.6Confident55 Ų55104 Ų10446%0.45551%0.512SS..Hα-helixtrans-60-43.8174.100000111.5S1799 D1800 R1805 L1806 S1807S1799-A1803 WeakPolarHBondContact O-CB 3.39Å; S1799-A1803 PolarHBondContact O-N 3.36Å; D1800-A1803 PolarHBondContact O-N 3.17Å; A1803-R1805 PolarHBondContact O-N 3.09Å; A1803-L1806 PolarHBondContact O-N 3.19Å; A1803-S1807 PolarHBondContact O-N 2.68Å; A1803-S1807 PolarHBondContact O-OG 3.29Å
1804Y75Confident72.7Confident164 Ų164107.2 Ų107.264%0.64353%0.53SS*.Hα-helixtrans-59.2-46.7175.2-168-93.4000111.7D1800 L1802 L1806 S1807 Y1808D1800-Y1804 WeakPolarHBondContact O-CB 3.42Å; D1800-Y1804 PolarHBondContact O-N 3.49Å; L1802-Y1804 VanDerWaalsContact C-N 3.34Å; L1802-Y1804 PolarHBondContact O-N 2.75Å; Y1804-L1806 PolarHBondContact O-N 2.79Å; Y1804-S1807 PolarHBondContact O-N 2.66Å; Y1804-S1807 PolarHBondContact O-OG 2.89Å; Y1804-Y1808 WeakPolarHBondContact O-CB 3.3Å; Y1804-Y1808 PolarHBondContact O-N 2.85Å
1805R73.7Confident69.7Low94 Ų94109.1 Ų109.136%0.35556%0.555SS.*Hα-helixtrans-59.2-44174.5-79.1179.6167.6-149.4-5.6113.1K1801 L1802 A1803 Y1808 N1809 F1867K1801-R1805 WeakPolarHBondContact O-CG 3.27Å; K1801-R1805 PolarHBondContact O-N 3.29Å; K1801-R1805 VanDerWaalsContact O-N 3.1Å; L1802-R1805 PolarHBondContact O-N 3.46Å; A1803-R1805 PolarHBondContact O-N 3.09Å; R1805-Y1808 PolarHBondContact O-N 2.77Å; R1805-N1809 WeakPolarHBondContact O-CB 3.44Å; R1805-N1809 VanDerWaalsContact O-CG 3.24Å; R1805-N1809 PolarHBondContact O-N 3.07Å; R1805-N1809 PolarHBondContact O-OD1 3.46Å; R1805-F1867 VanDerWaalsContact NH2-CZ 3.29Å
1806L77.3Confident66.6Low110 Ų110109 Ų10958%0.57656%0.563SS**Hα-helixtrans-63.2-44177.4-71168.3000111.3L1802 A1803 Y1804 Y1808 Q1810L1802-L1806 HydrophobicContact CG-CD1 4.25Å; L1802-L1806 WeakPolarHBondContact O-CG 3.41Å; L1802-L1806 PolarHBondContact O-N 3.14Å; A1803-L1806 PolarHBondContact O-N 3.19Å; Y1804-L1806 PolarHBondContact O-N 2.79Å; L1806-Y1808 PolarHBondContact O-N 3.28Å; L1806-Q1810 WeakPolarHBondContact O-CB 3.39Å; L1806-Q1810 PolarHBondContact O-N 3.16Å
1807S73.1Confident63.4Low55 Ų55104.5 Ų104.539%0.38557%0.573SS.*Hα-helixtrans-65.6-35.9176.669.40000113.4A1803 Y1804 Q1811A1803-S1807 PolarHBondContact O-N 2.68Å; A1803-S1807 PolarHBondContact O-OG 3.29Å; Y1804-S1807 PolarHBondContact O-N 2.66Å; Y1804-S1807 PolarHBondContact O-OG 2.89Å; S1807-Q1811 PolarHBondContact O-N 2.87Å
1808Y58Low60.5Low118 Ų118104.1 Ų104.146%0.46358%0.582SS.*Hα-helixtrans-70.9-45.9178.2-170.3-96.2000111.6Y1804 R1805 L1806 Q1810 Q1811 Q1812Y1804-Y1808 WeakPolarHBondContact O-CB 3.3Å; Y1804-Y1808 PolarHBondContact O-N 2.85Å; R1805-Y1808 PolarHBondContact O-N 2.77Å; L1806-Y1808 PolarHBondContact O-N 3.28Å; Y1808-Q1810 VanDerWaalsContact C-N 3.27Å; Y1808-Q1810 PolarHBondContact O-N 2.85Å; Y1808-Q1811 PolarHBondContact O-N 2.97Å; Y1808-Q1811 VanDerWaalsContact O-N 3.08Å; Y1808-Q1812 PolarHBondContact O-N 2.89Å; Y1808-Q1812 PolarHBondContact OH-NE2 2.76Å
1809N52.8Low57.2Low104 Ų104107 Ų10756%0.55660%0.602SS**Hα-helixtrans-62.5-35.3176.2-69.29.3000111.6R1805 Q1811 Q1812 A1813R1805-N1809 WeakPolarHBondContact O-CB 3.44Å; R1805-N1809 VanDerWaalsContact O-CG 3.24Å; R1805-N1809 PolarHBondContact O-N 3.07Å; R1805-N1809 PolarHBondContact O-OD1 3.46Å; N1809-Q1811 VanDerWaalsContact C-N 3.25Å; N1809-Q1811 PolarHBondContact O-N 3.05Å; N1809-Q1812 PolarHBondContact O-N 3.45Å; N1809-A1813 PolarHBondContact O-N 2.58Å
1810Q50.5Low54.2Low115 Ų115109.5 Ų109.554%0.53762%0.615SS.*Hα-helixtrans-68.9-20.9176.4-165.3165.134.800113.3Y1621 L1806 Y1808Y1621-Q1810 PolarHBondContact OH-NE2 3.39Å; L1806-Q1810 WeakPolarHBondContact O-CB 3.39Å; L1806-Q1810 PolarHBondContact O-N 3.16Å; Y1808-Q1810 VanDerWaalsContact C-N 3.27Å; Y1808-Q1810 PolarHBondContact O-N 2.85Å
1811Q47Very low51.2Low149 Ų149112 Ų11270%0.69663%0.633SS**Hα-helixtrans-81.4-26.5173.4-71.2179.112.800113.3S1807 Y1808 N1809S1807-Q1811 PolarHBondContact O-N 2.87Å; Y1808-Q1811 PolarHBondContact O-N 2.97Å; Y1808-Q1811 VanDerWaalsContact O-N 3.08Å; N1809-Q1811 VanDerWaalsContact C-N 3.25Å; N1809-Q1811 PolarHBondContact O-N 3.05Å
1812Q40.2Very low48.2Very low116 Ų116113.7 Ų113.754%0.54264%0.643SS.*Hα-helixtrans-82.9-20.4174.4-66.7-167.5-2.300113.6Y1808 N1809 N1814 A1815Y1808-Q1812 PolarHBondContact O-N 2.89Å; Y1808-Q1812 PolarHBondContact OH-NE2 2.76Å; N1809-Q1812 PolarHBondContact O-N 3.45Å; Q1812-N1814 PolarHBondContact O-N 3.45Å; Q1812-A1815 PolarHBondContact O-N 3.36Å
1813A37.1Very low45.3Very low67 Ų67115.7 Ų115.755%0.55465%0.654SS**THydrogen-bonded Turntrans-60.4-18.8-178.500000114.9N1809N1809-A1813 PolarHBondContact O-N 2.58Å
1814N33.3Very low42.6Very low156 Ų156118.8 Ų118.883%0.83467%0.672SS**THydrogen-bonded Turntrans-87.84.1-178.9-71.2-3.5000114.4Q1812Q1812-N1814 PolarHBondContact O-N 3.45Å
1815A32.5Very low40.2Very low93 Ų93116.1 Ų116.177%0.76968%0.677SS**SBendtrans-124.5-5.4-171.200000115.8Q1812Q1812-A1815 PolarHBondContact O-N 3.36Å
1816S28.6Very low37.9Very low101 Ų101122 Ų12271%0.70670%0.699SS**  trans-150117.4176.5-166.80000111.9
1817G25.2Very low35.5Very low85 Ų85127.5 Ų127.588%0.87671%0.714SS**  trans-100.4107.7170.400000110.6
1818S28.1Very low33.2Very low102 Ų102129.5 Ų129.571%0.71372%0.724SS**  trans-150.3138.1164.4-171.40000110
1819N24.6Very low31.8Very low161 Ų161129.1 Ų129.186%0.86174%0.739SS**  trans-100122.3179.5-63.4-59.7000110.1
1820T28.4Very low30.5Very low125 Ų125130.3 Ų130.377%0.76774%0.743SS**  trans-153.4120.3156.12.20000111.2E1822T1820-E1822 PolarHBondContact O-N 3.21Å
1821T25.7Very low29.3Very low144 Ų144134 Ų13488%0.88376%0.761SS**  trans-97.684.3-176.2-55.90000110.5
1822E30.2Very low28.2Very low170 Ų170134.9 Ų134.979%0.79477%0.765SS**  trans-106.398176.3-66-139.6132.200113.6T1820T1820-E1822 PolarHBondContact O-N 3.21Å
1823L28.6Very low27.7Very low145 Ų145135.6 Ų135.676%0.75977%0.773SS**  trans48.481.8135.5-58.1178000118.2S1825L1823-S1825 PolarHBondContact O-N 2.87Å
1824S25Very low27Very low120 Ų120142.8 Ų142.884%0.83979%0.785SS**  trans-58.698.1152.3-178.30000110.5R1826S1824-R1826 PolarHBondContact O-N 3.3Å
1825S24.6Very low26.8Very low108 Ų108141.1 Ų141.176%0.75578%0.776SS**  trans-81.1114.2179.145.20000110.7L1823 Y1827L1823-S1825 PolarHBondContact O-N 2.87Å; S1825-Y1827 PolarHBondContact O-N 2.95Å
1826R26.1Very low26.7Very low217 Ų217145 Ų14582%0.81978%0.784SS**  trans-75.2105-173.6-69.3173.8-70.7-160.2-5.7111.9S1824 V1828S1824-R1826 PolarHBondContact O-N 3.3Å; R1826-V1828 HydrophobicContact CB-CG2 4.22Å; R1826-V1828 PolarHBondContact O-N 2.75Å
1827Y25.4Very low26.9Very low226 Ų226145.5 Ų145.589%0.88678%0.783SS**  trans-8599.8156.1-102.2-83.4000110.4S1825S1825-Y1827 PolarHBondContact O-N 2.95Å
1828V26Very low27.4Very low98 Ų98149.7 Ų149.759%0.59478%0.78SS**  trans-111.991.2174.7175.60000108.3R1826 I1830R1826-V1828 HydrophobicContact CB-CG2 4.22Å; R1826-V1828 PolarHBondContact O-N 2.75Å; V1828-I1830 HydrophobicContact CG1-CB 4.44Å; V1828-I1830 HydrophobicContact CG1-CD1 3.58Å; V1828-I1830 HydrophobicContact CG1-CG1 3.63Å; V1828-I1830 PolarHBondContact O-N 3.19Å
1829S27.1Very low27.7Very low110 Ų110150.8 Ų150.877%0.76979%0.787SS**  trans-89.876.2165.350.80000109.4Q1831S1829-Q1831 PolarHBondContact O-N 2.75Å
1830I25.5Very low28.6Very low128 Ų128145.7 Ų145.766%0.65676%0.764SS**  trans-76.2115.9161.1-69.2162.6000106.6V1828 Q1832V1828-I1830 HydrophobicContact CG1-CB 4.44Å; V1828-I1830 HydrophobicContact CG1-CD1 3.58Å; V1828-I1830 HydrophobicContact CG1-CG1 3.63Å; V1828-I1830 PolarHBondContact O-N 3.19Å; I1830-Q1832 HydrophobicContact CG2-CG 4.08Å
1831Q26.9Very low29.7Very low192 Ų192144.1 Ų144.190%0.89775%0.754SS**  trans-123.695.4157.9-155.2162.916.500108.3S1829S1829-Q1831 PolarHBondContact O-N 2.75Å
1832Q23.4Very low30.9Very low168 Ų168144 Ų14479%0.78574%0.742SS**  trans-69.9137.2158.3-64.8173.5-2.400106.8I1830I1830-Q1832 HydrophobicContact CG2-CG 4.08Å
1833N28.7Very low31.8Very low132 Ų132143.4 Ų143.471%0.70673%0.733SS**  trans-125.5141.3143.1-165.519.1000109.2D1835N1833-D1835 PolarHBondContact ND2-OD2 2.94Å
1834R23.9Very low33.7Very low218 Ų218139.4 Ų139.482%0.82372%0.721SS**  trans-110.2113.1167.8-78.5-174176-162.63.1106.4
1835D29Very low35.9Very low120 Ų120137.3 Ų137.364%0.64270%0.7SS**  trans-134.5135.6160.7-81.7-59.8000108.4N1833 V1837N1833-D1835 PolarHBondContact ND2-OD2 2.94Å; D1835-V1837 PolarHBondContact O-N 3.35Å
1836D29.4Very low38.1Very low176 Ų176137.9 Ų137.994%0.94169%0.69SS**  trans-76.164.4-174-79.9-62.7000112.1Q1838D1836-Q1838 PolarHBondContact O-N 3.23Å
1837V33.5Very low40.5Very low110 Ų110132.3 Ų132.367%0.66768%0.677SS**  trans-80112.8173.8-175.10000109.6D1835D1835-V1837 PolarHBondContact O-N 3.35Å
1838Q34.5Very low43.1Very low174 Ų174125 Ų12581%0.81366%0.656SS**  trans-33.2140.3176.1-60.2175-4.100113.8D1836 S1840D1836-Q1838 PolarHBondContact O-N 3.23Å; Q1838-S1840 PolarHBondContact O-N 2.88Å
1839S36.1Very low45.5Very low125 Ų125126.5 Ų126.587%0.87466%0.655SS**  trans-69.360-172.565.80000115.1
1840S41.9Very low48.1Very low54 Ų54125.3 Ų125.338%0.37864%0.637SS.*  trans-87.6102.4164.5178.50000108.1Q1838 K1842 Y1843Q1838-S1840 PolarHBondContact O-N 2.88Å; S1840-K1842 PolarHBondContact O-N 3.08Å; S1840-Y1843 PolarHBondContact O-N 3.42Å
1841T52.2Low51.1Low91 Ų91123.4 Ų123.456%0.55863%0.628SS**Hα-helixtrans-52.3-24.1-179.4-450000112.7L1845T1841-L1845 HydrophobicContact CG2-CD1 3.9Å; T1841-L1845 HydrophobicContact CG2-CG 4.16Å; T1841-L1845 WeakPolarHBondContact O-CB 3.48Å; T1841-L1845 VanDerWaalsContact O-CG 3.29Å; T1841-L1845 WeakPolarHBondContact O-CG 3.37Å; T1841-L1845 PolarHBondContact O-N 2.96Å; T1841-L1845 VanDerWaalsContact O-N 3.08Å
1842K50.1Low53.8Low142 Ų142118.3 Ų118.362%0.61761%0.606SS**Hα-helixtrans-55.9-45.9174.5-170.3176.1-177.6176.50113.6S1840 H1846S1840-K1842 PolarHBondContact O-N 3.08Å; K1842-H1846 PolarHBondContact O-N 2.73Å
1843Y50.5Low56.9Low157 Ų157115.4 Ų115.462%0.61659%0.59SS**Hα-helixtrans-75-46.8-177.7-72.7-65.4000111.7S1840 L1845 H1846 D1847S1840-Y1843 PolarHBondContact O-N 3.42Å; Y1843-L1845 VanDerWaalsContact C-N 3.26Å; Y1843-L1845 PolarHBondContact O-N 2.92Å; Y1843-H1846 PolarHBondContact O-N 2.93Å; Y1843-D1847 PolarHBondContact O-N 3.45Å
1844A68.1Low59.6Low61 Ų61111.3 Ų111.350%0.50458%0.575SS.*Hα-helixtrans-58-37.4177.500000112.7T1848A1844-T1848 WeakPolarHBondContact O-CB 3.29Å; A1844-T1848 PolarHBondContact O-N 3.18Å; A1844-T1848 PolarHBondContact O-OG1 3.09Å
1845L70.6Confident62.7Low76 Ų76104.7 Ų104.740%0.39856%0.558SS.*Hα-helixtrans-72-35.6174.9-72.5176.5000113.3T1841 Y1843 F1849T1841-L1845 HydrophobicContact CG2-CD1 3.9Å; T1841-L1845 HydrophobicContact CG2-CG 4.16Å; T1841-L1845 WeakPolarHBondContact O-CB 3.48Å; T1841-L1845 VanDerWaalsContact O-CG 3.29Å; T1841-L1845 WeakPolarHBondContact O-CG 3.37Å; T1841-L1845 PolarHBondContact O-N 2.96Å; T1841-L1845 VanDerWaalsContact O-N 3.08Å; Y1843-L1845 VanDerWaalsContact C-N 3.26Å; Y1843-L1845 PolarHBondContact O-N 2.92Å; L1845-F1849 PolarHBondContact O-N 3.01Å; L1845-F1849 VanDerWaalsContact O-N 3.07Å
1846H71.1Confident65.3Low120 Ų120102.4 Ų102.456%0.55655%0.546SS*.Hα-helixtrans-66.7-45.5176-175.645.6000111.4K1842 Y1843 T1848 F1849 E1850K1842-H1846 PolarHBondContact O-N 2.73Å; Y1843-H1846 PolarHBondContact O-N 2.93Å; H1846-T1848 PolarHBondContact O-N 2.66Å; H1846-F1849 WeakPolarHBondContact O-CA 3.1Å; H1846-F1849 WeakPolarHBondContact O-CB 2.89Å; H1846-F1849 PolarHBondContact O-N 2.96Å; H1846-E1850 PolarHBondContact O-N 3.44Å; H1846-E1850 VanDerWaalsContact O-N 3.08Å
1847D76.5Confident67.9Low101 Ų10199.9 Ų99.954%0.5453%0.529SS..Hα-helixtrans-64.2-39.3176.6-167.665.5000111.8Y1843 F1849 E1850 N1851Y1843-D1847 PolarHBondContact O-N 3.45Å; D1847-F1849 VanDerWaalsContact C-N 3.25Å; D1847-F1849 PolarHBondContact O-N 3.12Å; D1847-E1850 PolarHBondContact O-N 2.77Å; D1847-N1851 WeakPolarHBondContact O-CB 3.49Å; D1847-N1851 PolarHBondContact O-N 2.84Å; D1847-N1851 PolarHBondContact O-ND2 2.61Å; D1847-N1851 PolarHBondContact OD2-ND2 3.47Å
1848T80.8Confident70.3Confident72 Ų72100.8 Ų100.844%0.44253%0.526SS..Hα-helixtrans-59.4-35.9170.6-59.30000112.1A1844 H1846 M1852A1844-T1848 WeakPolarHBondContact O-CB 3.29Å; A1844-T1848 PolarHBondContact O-N 3.18Å; A1844-T1848 PolarHBondContact O-OG1 3.09Å; H1846-T1848 PolarHBondContact O-N 2.66Å; T1848-M1852 WeakPolarHBondContact O-CG 3.21Å; T1848-M1852 PolarHBondContact O-N 3.39Å
1849F76.4Confident72.6Confident129 Ų12996.2 Ų96.257%0.56651%0.506SS*.Hα-helixtrans-70.6-44.9179.7-113.8-86.2000112.7L1845 H1846 D1847 M1852 K1853L1845-F1849 PolarHBondContact O-N 3.01Å; L1845-F1849 VanDerWaalsContact O-N 3.07Å; H1846-F1849 WeakPolarHBondContact O-CA 3.1Å; H1846-F1849 WeakPolarHBondContact O-CB 2.89Å; H1846-F1849 PolarHBondContact O-N 2.96Å; D1847-F1849 VanDerWaalsContact C-N 3.25Å; D1847-F1849 PolarHBondContact O-N 3.12Å; F1849-M1852 HydrophobicContact CD2-CE 4.38Å; F1849-M1852 HydrophobicContact CG-CE 4.39Å; F1849-M1852 PolarHBondContact O-N 2.99Å; F1849-K1853 WeakPolarHBondContact O-CB 3.44Å; F1849-K1853 PolarHBondContact O-N 3.16Å; F1849-K1853 VanDerWaalsContact O-N 3.07Å
1850E82Confident74.5Confident85 Ų8596.2 Ų96.240%0.39749%0.493SS..Hα-helixtrans-69.6-37.3176.4-73.5-64135.900111.7H1846 D1847 M1852 K1853 A1854H1846-E1850 PolarHBondContact O-N 3.44Å; H1846-E1850 VanDerWaalsContact O-N 3.08Å; D1847-E1850 PolarHBondContact O-N 2.77Å; E1850-M1852 PolarHBondContact O-N 2.84Å; E1850-K1853 WeakPolarHBondContact O-CB 3.09Å; E1850-K1853 PolarHBondContact O-N 3.11Å; E1850-K1853 VanDerWaalsContact O-N 3.13Å; E1850-K1853 WeakPolarHBondContact OE1-CD 3.43Å; E1850-K1853 IonicContact OE1-NZ 2.64Å; E1850-K1853 PolarHBondContact OE1-NZ 3.24Å; E1850-K1853 WeakPolarHBondContact OE2-CD 3.49Å; E1850-K1853 WeakPolarHBondContact OE2-CE 3.2Å; E1850-K1853 IonicContact OE2-NZ 2.83Å; E1850-K1853 PolarHBondContact OE2-NZ 2.96Å; E1850-A1854 PolarHBondContact O-N 3.43Å
1851N87.5Confident76.2Confident89 Ų8998.4 Ų98.448%0.47650%0.503SS..Hα-helixtrans-61.1-43.6171.4-81.1-64.6000112.4D1847 K1853 A1854 V1855D1847-N1851 WeakPolarHBondContact O-CB 3.49Å; D1847-N1851 PolarHBondContact O-N 2.84Å; D1847-N1851 PolarHBondContact O-ND2 2.61Å; D1847-N1851 PolarHBondContact OD2-ND2 3.47Å; N1851-K1853 VanDerWaalsContact C-N 3.28Å; N1851-K1853 PolarHBondContact O-N 2.95Å; N1851-A1854 PolarHBondContact O-N 3.06Å; N1851-V1855 WeakPolarHBondContact O-CG2 3.25Å; N1851-V1855 PolarHBondContact O-N 3.47Å
1852M84.6Confident77.3Confident85 Ų8597.6 Ų97.642%0.41950%0.498SS..Hα-helixtrans-60.7-36.6172.7-80.9-164.5-64.200112.7T1848 F1849 E1850 N1856T1848-M1852 WeakPolarHBondContact O-CG 3.21Å; T1848-M1852 PolarHBondContact O-N 3.39Å; F1849-M1852 HydrophobicContact CD2-CE 4.38Å; F1849-M1852 HydrophobicContact CG-CE 4.39Å; F1849-M1852 PolarHBondContact O-N 2.99Å; E1850-M1852 PolarHBondContact O-N 2.84Å; M1852-N1856 VanDerWaalsContact O-CB 3.26Å; M1852-N1856 WeakPolarHBondContact O-CB 3.13Å; M1852-N1856 PolarHBondContact O-N 2.84Å
1853K88.2Confident78.2Confident106 Ų10691.8 Ų91.846%0.46148%0.478SS..Hα-helixtrans-69.6-41.5179.1175.4179.1158.1-144.20111.8F1849 E1850 N1851 N1856 Q1857F1849-K1853 WeakPolarHBondContact O-CB 3.44Å; F1849-K1853 PolarHBondContact O-N 3.16Å; F1849-K1853 VanDerWaalsContact O-N 3.07Å; E1850-K1853 WeakPolarHBondContact O-CB 3.09Å; E1850-K1853 PolarHBondContact O-N 3.11Å; E1850-K1853 VanDerWaalsContact O-N 3.13Å; E1850-K1853 WeakPolarHBondContact OE1-CD 3.43Å; E1850-K1853 IonicContact OE1-NZ 2.64Å; E1850-K1853 PolarHBondContact OE1-NZ 3.24Å; E1850-K1853 WeakPolarHBondContact OE2-CD 3.49Å; E1850-K1853 WeakPolarHBondContact OE2-CE 3.2Å; E1850-K1853 IonicContact OE2-NZ 2.83Å; E1850-K1853 PolarHBondContact OE2-NZ 2.96Å; N1851-K1853 VanDerWaalsContact C-N 3.28Å; N1851-K1853 PolarHBondContact O-N 2.95Å; K1853-N1856 PolarHBondContact O-N 2.83Å; K1853-Q1857 PolarHBondContact O-N 3.44Å
1854A84.8Confident79.3Confident46 Ų4691.7 Ų91.738%0.3848%0.481SS..Hα-helixtrans-62.3-47.5173.100000112.1E1850 N1851 N1856 Q1857 Q1858E1850-A1854 PolarHBondContact O-N 3.43Å; N1851-A1854 PolarHBondContact O-N 3.06Å; A1854-N1856 VanDerWaalsContact C-N 3.29Å; A1854-N1856 PolarHBondContact O-N 2.99Å; A1854-Q1857 PolarHBondContact O-N 3.33Å; A1854-Q1857 VanDerWaalsContact O-N 3.13Å; A1854-Q1858 PolarHBondContact O-N 3.1Å
1855V88.4Confident79Confident79 Ų7995.8 Ų95.848%0.47949%0.494SS..Hα-helixtrans-59.7-39.2174.9171.10000111.5N1851 Q1857 Q1858 L1859N1851-V1855 WeakPolarHBondContact O-CG2 3.25Å; N1851-V1855 PolarHBondContact O-N 3.47Å; V1855-Q1857 VanDerWaalsContact C-N 3.35Å; V1855-Q1857 PolarHBondContact O-N 3.49Å; V1855-Q1858 PolarHBondContact O-N 3.11Å; V1855-L1859 HydrophobicContact CG1-CD1 4.06Å; V1855-L1859 WeakPolarHBondContact O-CB 3.24Å; V1855-L1859 WeakPolarHBondContact O-CG 3.45Å; V1855-L1859 PolarHBondContact O-N 2.81Å
1856N85.3Confident78.5Confident72 Ų7296.6 Ų96.639%0.38550%0.498SS..Hα-helixtrans-68.6-30.1177.7-166.956.6000112.7M1852 K1853 A1854 Q1860M1852-N1856 VanDerWaalsContact O-CB 3.26Å; M1852-N1856 WeakPolarHBondContact O-CB 3.13Å; M1852-N1856 PolarHBondContact O-N 2.84Å; K1853-N1856 PolarHBondContact O-N 2.83Å; A1854-N1856 VanDerWaalsContact C-N 3.29Å; A1854-N1856 PolarHBondContact O-N 2.99Å; N1856-Q1860 PolarHBondContact O-N 2.85Å
1857Q82.3Confident77.6Confident123 Ų12397.1 Ų97.158%0.57550%0.499SS*.Hα-helixtrans-71.4-44.5169.9-75.2-175.7-13.400112.2K1853 A1854 V1855 L1859 Q1860 V1861K1853-Q1857 PolarHBondContact O-N 3.44Å; A1854-Q1857 PolarHBondContact O-N 3.33Å; A1854-Q1857 VanDerWaalsContact O-N 3.13Å; V1855-Q1857 VanDerWaalsContact C-N 3.35Å; V1855-Q1857 PolarHBondContact O-N 3.49Å; Q1857-L1859 VanDerWaalsContact C-N 3.28Å; Q1857-L1859 PolarHBondContact O-N 3.2Å; Q1857-Q1860 WeakPolarHBondContact O-CA 3.33Å; Q1857-Q1860 WeakPolarHBondContact O-CB 3.44Å; Q1857-Q1860 PolarHBondContact O-N 3.02Å; Q1857-V1861 PolarHBondContact O-N 2.83Å
1858Q84.7Confident76.1Confident129 Ų12995.7 Ų95.760%0.60350%0.497SS*.Hα-helixtrans-58.1-41.3174.1-73.1-177.9-17.900111.5A1854 V1855 Q1860 V1861 V1862A1854-Q1858 PolarHBondContact O-N 3.1Å; V1855-Q1858 PolarHBondContact O-N 3.11Å; Q1858-Q1860 VanDerWaalsContact C-N 3.29Å; Q1858-Q1860 PolarHBondContact O-N 3.31Å; Q1858-V1861 PolarHBondContact O-N 2.74Å; Q1858-V1861 VanDerWaalsContact O-N 3.15Å; Q1858-V1862 WeakPolarHBondContact O-CB 3.07Å; Q1858-V1862 WeakPolarHBondContact O-CG2 3Å; Q1858-V1862 PolarHBondContact O-N 3.47Å
1859L83.3Confident74.1Confident78 Ų78100 Ų10041%0.40851%0.51SS..Hα-helixtrans-64.4-27.6174.2-73.6169.9000113.6F1798 V1855 Q1857 G1863F1798-L1859 HydrophobicContact CZ-CD1 4.17Å; V1855-L1859 HydrophobicContact CG1-CD1 4.06Å; V1855-L1859 WeakPolarHBondContact O-CB 3.24Å; V1855-L1859 WeakPolarHBondContact O-CG 3.45Å; V1855-L1859 PolarHBondContact O-N 2.81Å; Q1857-L1859 VanDerWaalsContact C-N 3.28Å; Q1857-L1859 PolarHBondContact O-N 3.2Å; L1859-G1863 WeakPolarHBondContact O-CA 3.48Å; L1859-G1863 PolarHBondContact O-N 3.39Å
1860Q75.5Confident72.4Confident126 Ų126101.3 Ų101.359%0.58952%0.522SS*.Hα-helixtrans-72.2-39.6169.7-78.7-169.7-1100112.5N1856 Q1857 Q1858 G1863 K1864N1856-Q1860 PolarHBondContact O-N 2.85Å; Q1857-Q1860 WeakPolarHBondContact O-CA 3.33Å; Q1857-Q1860 WeakPolarHBondContact O-CB 3.44Å; Q1857-Q1860 PolarHBondContact O-N 3.02Å; Q1858-Q1860 VanDerWaalsContact C-N 3.29Å; Q1858-Q1860 PolarHBondContact O-N 3.31Å; Q1860-G1863 PolarHBondContact O-N 3.18Å; Q1860-K1864 WeakPolarHBondContact O-CG 3.35Å; Q1860-K1864 PolarHBondContact O-N 3.45Å
1861V77.4Confident70.1Confident99 Ų99102 Ų10260%0.653%0.529SS*.Hα-helixtrans-66.2-48.9176.5177.90000110.5Q1857 Q1858 G1863 K1864 L1865Q1857-V1861 PolarHBondContact O-N 2.83Å; Q1858-V1861 PolarHBondContact O-N 2.74Å; Q1858-V1861 VanDerWaalsContact O-N 3.15Å; V1861-G1863 PolarHBondContact O-N 2.97Å; V1861-K1864 PolarHBondContact O-N 3.34Å; V1861-K1864 VanDerWaalsContact O-N 3.11Å; V1861-L1865 PolarHBondContact O-N 2.79Å
1862V75.8Confident67.7Low74 Ų74103.9 Ų103.945%0.44854%0.539SS..Hα-helixtrans-59.3-36.1172.91700000111.1Q1858 L1865 L1866Q1858-V1862 WeakPolarHBondContact O-CB 3.07Å; Q1858-V1862 WeakPolarHBondContact O-CG2 3Å; Q1858-V1862 PolarHBondContact O-N 3.47Å; V1862-L1865 PolarHBondContact O-N 2.8Å; V1862-L1866 HydrophobicContact CG1-CD1 3.56Å; V1862-L1866 HydrophobicContact CG1-CG 4.37Å; V1862-L1866 VanDerWaalsContact O-CB 3.28Å; V1862-L1866 WeakPolarHBondContact O-CB 3.03Å; V1862-L1866 VanDerWaalsContact O-CG 3.31Å; V1862-L1866 WeakPolarHBondContact O-CG 3.49Å; V1862-L1866 PolarHBondContact O-N 3.45Å
1863G69.4Low65.1Low20 Ų20107.2 Ų107.221%0.20656%0.558CS.*Hα-helixtrans-62.5-47.1171.400000113.4L1859 Q1860 V1861 L1865 L1866 F1867L1859-G1863 WeakPolarHBondContact O-CA 3.48Å; L1859-G1863 PolarHBondContact O-N 3.39Å; Q1860-G1863 PolarHBondContact O-N 3.18Å; V1861-G1863 PolarHBondContact O-N 2.97Å; G1863-L1865 VanDerWaalsContact C-N 3.32Å; G1863-L1865 PolarHBondContact O-N 3.36Å; G1863-L1866 PolarHBondContact O-N 3.06Å; G1863-F1867 WeakPolarHBondContact O-CB 3.41Å; G1863-F1867 VanDerWaalsContact O-CD2 3.31Å; G1863-F1867 WeakPolarHBondContact O-CD2 3.43Å; G1863-F1867 PolarHBondContact O-N 3.03Å
1864K72Confident62.5Low155 Ų155109.8 Ų109.867%0.67458%0.575SS**Hα-helixtrans-61.7-39.7175-73.8178.7178.1-177.60111.6Q1860 V1861 S1868Q1860-K1864 WeakPolarHBondContact O-CG 3.35Å; Q1860-K1864 PolarHBondContact O-N 3.45Å; V1861-K1864 PolarHBondContact O-N 3.34Å; V1861-K1864 VanDerWaalsContact O-N 3.11Å; K1864-S1868 PolarHBondContact O-N 3.01Å; K1864-S1868 VanDerWaalsContact O-N 3.14Å; K1864-S1868 PolarHBondContact O-OG 2.77Å; K1864-S1868 VanDerWaalsContact O-OG 3.13Å
1865L63.5Low59.8Low147 Ų147113.4 Ų113.477%0.7759%0.593SS**Hα-helixtrans-67.6-39.8178.7-148.278.2000112.5V1861 V1862 G1863V1861-L1865 PolarHBondContact O-N 2.79Å; V1862-L1865 PolarHBondContact O-N 2.8Å; G1863-L1865 VanDerWaalsContact C-N 3.32Å; G1863-L1865 PolarHBondContact O-N 3.36Å
1866L60.3Low57.1Low93 Ų93116.8 Ų116.849%0.48761%0.608SS.*Hα-helixtrans-91.3-8.7-176.3-70.2170.9000115.2V1862 G1863V1862-L1866 HydrophobicContact CG1-CD1 3.56Å; V1862-L1866 HydrophobicContact CG1-CG 4.37Å; V1862-L1866 VanDerWaalsContact O-CB 3.28Å; V1862-L1866 WeakPolarHBondContact O-CB 3.03Å; V1862-L1866 VanDerWaalsContact O-CG 3.31Å; V1862-L1866 WeakPolarHBondContact O-CG 3.49Å; V1862-L1866 PolarHBondContact O-N 3.45Å; G1863-L1866 PolarHBondContact O-N 3.06Å
1867F52Low54.4Low132 Ų132121.9 Ų121.958%0.57963%0.63SS**  trans-131.720.7-179.3-58.7-69.5000113.1R1805 G1863 K1869R1805-F1867 VanDerWaalsContact NH2-CZ 3.29Å; G1863-F1867 WeakPolarHBondContact O-CB 3.41Å; G1863-F1867 VanDerWaalsContact O-CD2 3.31Å; G1863-F1867 WeakPolarHBondContact O-CD2 3.43Å; G1863-F1867 PolarHBondContact O-N 3.03Å; F1867-K1869 VanDerWaalsContact C-N 3.32Å; F1867-K1869 PolarHBondContact O-N 3.23Å
1868S44.4Very low51.9Low70 Ų70123.5 Ų123.549%0.4964%0.642SS.*  trans-61.499154.9-82.30000108.1K1864 N1870K1864-S1868 PolarHBondContact O-N 3.01Å; K1864-S1868 VanDerWaalsContact O-N 3.14Å; K1864-S1868 PolarHBondContact O-OG 2.77Å; K1864-S1868 VanDerWaalsContact O-OG 3.13Å; S1868-N1870 PolarHBondContact O-N 3.24Å
1869K39.6Very low49.3Very low163 Ų163124.3 Ų124.371%0.70965%0.65SS**  trans-78.169.4-173.4-166.8-156.9174.1-160.40110.7F1867 N1871F1867-K1869 VanDerWaalsContact C-N 3.32Å; F1867-K1869 PolarHBondContact O-N 3.23Å; K1869-N1871 HydrophobicContact CG-CB 4.25Å; K1869-N1871 PolarHBondContact O-N 3.04Å
1870N40.8Very low46.6Very low156 Ų156129.2 Ų129.283%0.83467%0.671SS**  trans-75.373168.8-71.822.7000108.9S1868S1868-N1870 PolarHBondContact O-N 3.24Å
1871N32.6Very low44.4Very low100 Ų100130 Ų13054%0.53568%0.678SS.*  trans-97.1147.9169.8-114.584.2000108.7K1869K1869-N1871 HydrophobicContact CG-CB 4.25Å; K1869-N1871 PolarHBondContact O-N 3.04Å
1872D36.8Very low42.1Very low128 Ų128132 Ų13268%0.68469%0.685SS**SBendtrans81.5121.8161.7-39.2-30.7000115.7
1873N30.9Very low40.1Very low155 Ų155135.2 Ų135.283%0.82970%0.7SS**  trans73.661.4165.3-56.6-15.7000120.9
1874I31.9Very low38.3Very low160 Ų160137.7 Ų137.782%0.82172%0.718SS**  trans-135.289.8145.6-50.7178.5000110.1
1875T29.5Very low37Very low123 Ų123135.6 Ų135.676%0.75572%0.719SS**SBendtrans-132.6-7172.140.70000114.5
1876N32.1Very low36.2Very low149 Ų149131.4 Ų131.480%0.79770%0.702SS**SBendtrans-114.9-3.9-170.4-73.36.1000115.6
1877E28.4Very low35.6Very low180 Ų180130.8 Ų130.884%0.84170%0.704SS**  trans-115.532.6-179.9-65-162.8154.400113.6N1879E1877-N1879 VanDerWaalsContact C-N 3.3Å
1878L28.9Very low35.7Very low156 Ų156129.8 Ų129.882%0.81770%0.701SS**  trans-90.312.5172.5-113.5169000113.6
1879N29.8Very low35.7Very low147 Ų147134.3 Ų134.379%0.78671%0.709SS**SBendtrans-127.835.5-171.5-83.6-34.6000113.8E1877E1877-N1879 VanDerWaalsContact C-N 3.3Å
1880Q27Very low36.8Very low180 Ų180131.7 Ų131.784%0.84170%0.702SS**SBendtrans-164.3146.3155.9-119.4147.1111.800114.2
1881I28.6Very low37.9Very low144 Ų144130.4 Ų130.474%0.73869%0.691SS**  trans68.479.8170.5-48.1176.3000115
1882D31Very low39.6Very low141 Ų141131.3 Ų131.375%0.75469%0.69SS**  trans-56.9160.5147-67.8-71.6000112
1883N32.4Very low40.9Very low141 Ų141128.8 Ų128.875%0.75468%0.676SS**SBendtrans66.441.7156.5-59-38.5000118.6
1884A31.7Very low42.8Very low72 Ų72126.5 Ų126.560%0.59566%0.66SS**SBendtrans-105.7-39161.500000114
1885T45.5Very low44.5Very low111 Ų111124.1 Ų124.168%0.68165%0.646SS**SBendtrans-106.9-14.6-163.5-23.70000115.5C1887 E1888T1885-C1887 PolarHBondContact O-N 2.65Å; T1885-E1888 PolarHBondContact O-N 2.91Å
1886S45.4Very low46.5Very low59 Ų59124.1 Ų124.141%0.41364%0.635SS.*Hα-helixtrans-62.2-33.5174.252.30000111.9E1888 Y1889 L1890S1886-E1888 PolarHBondContact O-N 2.7Å; S1886-Y1889 PolarHBondContact O-N 3.35Å; S1886-L1890 WeakPolarHBondContact O-CB 3.36Å; S1886-L1890 WeakPolarHBondContact O-CG 3.44Å; S1886-L1890 PolarHBondContact O-N 2.97Å
1887C48.2Very low47.7Very low80 Ų80120.6 Ų120.654%0.54162%0.617SS.*Hα-helixtrans-65.1-33.4177.3-65.50000113.5T1885 H1891T1885-C1887 PolarHBondContact O-N 2.65Å; C1887-H1891 WeakPolarHBondContact O-CA 3.43Å; C1887-H1891 WeakPolarHBondContact O-CB 3.23Å; C1887-H1891 PolarHBondContact O-N 3.22Å
1888E53.7Low49.5Very low110 Ų110116.7 Ų116.751%0.51460%0.599SS.*Hα-helixtrans-66.5-41.9177.2-91.6-127.9179.800112.3T1885 S1886 K1892T1885-E1888 PolarHBondContact O-N 2.91Å; S1886-E1888 PolarHBondContact O-N 2.7Å; E1888-K1892 WeakPolarHBondContact O-CB 3.23Å; E1888-K1892 WeakPolarHBondContact O-CG 3.17Å; E1888-K1892 PolarHBondContact O-N 2.7Å; E1888-K1892 IonicContact OE2-NZ 2.64Å; E1888-K1892 PolarHBondContact OE2-NZ 2.69Å
1889Y45.2Very low50.9Low166 Ų166114.6 Ų114.665%0.65159%0.585SS**Hα-helixtrans-71.4-43178.5-173.2-107.5000111.5S1886 K1892 L1893S1886-Y1889 PolarHBondContact O-N 3.35Å; Y1889-K1892 PolarHBondContact O-N 2.97Å; Y1889-L1893 HydrophobicContact CD1-CD1 4.01Å; Y1889-L1893 HydrophobicContact CD2-CD1 4.34Å; Y1889-L1893 HydrophobicContact CE1-CD1 3.54Å; Y1889-L1893 HydrophobicContact CE2-CD1 3.9Å; Y1889-L1893 HydrophobicContact CG-CD1 4.39Å; Y1889-L1893 VanDerWaalsContact CZ-CD1 3.48Å; Y1889-L1893 PolarHBondContact O-N 3.44Å
1890L62.7Low52.1Low108 Ų108112.4 Ų112.457%0.56557%0.572SS**Hα-helixtrans-65.3-40.4175.1-73173.2000112.2S1886 K1892 L1893 E1894S1886-L1890 WeakPolarHBondContact O-CB 3.36Å; S1886-L1890 WeakPolarHBondContact O-CG 3.44Å; S1886-L1890 PolarHBondContact O-N 2.97Å; L1890-K1892 PolarHBondContact O-N 3.23Å; L1890-L1893 PolarHBondContact O-N 2.79Å; L1890-E1894 WeakPolarHBondContact O-CB 3.25Å; L1890-E1894 PolarHBondContact O-N 3.12Å
1891H63.2Low53Low128 Ų128113.3 Ų113.359%0.59357%0.569SS**Hα-helixtrans-70.3-30.4177.5-164.9-38.2000111.7C1887 Q1895C1887-H1891 WeakPolarHBondContact O-CA 3.43Å; C1887-H1891 WeakPolarHBondContact O-CB 3.23Å; C1887-H1891 PolarHBondContact O-N 3.22Å; H1891-Q1895 WeakPolarHBondContact O-CB 3.35Å; H1891-Q1895 PolarHBondContact O-N 2.77Å
1892K68.8Low53.5Low120 Ų120115 Ų11552%0.52257%0.567SS.*Hα-helixtrans-69.2-40.4168.8-80.5165.9176.9150.10112.1E1888 Y1889 L1890 F1896E1888-K1892 WeakPolarHBondContact O-CB 3.23Å; E1888-K1892 WeakPolarHBondContact O-CG 3.17Å; E1888-K1892 PolarHBondContact O-N 2.7Å; E1888-K1892 IonicContact OE2-NZ 2.64Å; E1888-K1892 PolarHBondContact OE2-NZ 2.69Å; Y1889-K1892 PolarHBondContact O-N 2.97Å; L1890-K1892 PolarHBondContact O-N 3.23Å; K1892-F1896 WeakPolarHBondContact O-CB 3.46Å; K1892-F1896 PolarHBondContact O-N 2.81Å
1893L63.3Low53.5Low74 Ų74116.5 Ų116.539%0.38757%0.567SS.*Hα-helixtrans-65.5-40.4172.3-105.687.8000112.5Y1889 L1890 F1896 N1897Y1889-L1893 HydrophobicContact CD1-CD1 4.01Å; Y1889-L1893 HydrophobicContact CD2-CD1 4.34Å; Y1889-L1893 HydrophobicContact CE1-CD1 3.54Å; Y1889-L1893 HydrophobicContact CE2-CD1 3.9Å; Y1889-L1893 HydrophobicContact CG-CD1 4.39Å; Y1889-L1893 VanDerWaalsContact CZ-CD1 3.48Å; Y1889-L1893 PolarHBondContact O-N 3.44Å; L1890-L1893 PolarHBondContact O-N 2.79Å; L1893-F1896 PolarHBondContact O-N 2.8Å; L1893-N1897 WeakPolarHBondContact O-CB 3.11Å; L1893-N1897 PolarHBondContact O-N 3.29Å; L1893-N1897 PolarHBondContact O-ND2 2.9Å
1894E72.8Confident53.8Low107 Ų107116.6 Ų116.650%0.557%0.565SS.*Hα-helixtrans-69.7-41178.3-170.5177.5172.500110.9L1890 F1896 N1897 Q1898L1890-E1894 WeakPolarHBondContact O-CB 3.25Å; L1890-E1894 PolarHBondContact O-N 3.12Å; E1894-F1896 VanDerWaalsContact C-N 3.34Å; E1894-F1896 PolarHBondContact O-N 3.19Å; E1894-N1897 PolarHBondContact O-N 2.78Å; E1894-Q1898 HydrophobicContact CG-CG 4.3Å; E1894-Q1898 WeakPolarHBondContact O-CB 3.26Å; E1894-Q1898 WeakPolarHBondContact O-CG 3.42Å; E1894-Q1898 PolarHBondContact O-N 3.07Å; E1894-Q1898 PolarHBondContact OE1-NE2 2.75Å
1895Q66.1Low53.8Low110 Ų110118.3 Ų118.351%0.51457%0.57SS.*Hα-helixtrans-57.9-46172-176.9171.42200111.2H1891 Q1898 E1899H1891-Q1895 WeakPolarHBondContact O-CB 3.35Å; H1891-Q1895 PolarHBondContact O-N 2.77Å; Q1895-Q1898 PolarHBondContact O-N 2.89Å; Q1895-E1899 PolarHBondContact O-N 3.3Å
1896F71.1Confident53Low123 Ų123121 Ų12154%0.53958%0.579SS.*Hα-helixtrans-63.3-42.8175.6-172.4-104.4000112.6K1892 L1893 E1894 E1899 L1900K1892-F1896 WeakPolarHBondContact O-CB 3.46Å; K1892-F1896 PolarHBondContact O-N 2.81Å; L1893-F1896 PolarHBondContact O-N 2.8Å; E1894-F1896 VanDerWaalsContact C-N 3.34Å; E1894-F1896 PolarHBondContact O-N 3.19Å; F1896-E1899 PolarHBondContact O-N 2.99Å; F1896-L1900 HydrophobicContact CD1-CD1 4.06Å; F1896-L1900 HydrophobicContact CE1-CD1 3.77Å; F1896-L1900 HydrophobicContact CE1-CG 4.4Å; F1896-L1900 HydrophobicContact CZ-CD1 4.46Å; F1896-L1900 WeakPolarHBondContact O-CG 3.27Å; F1896-L1900 PolarHBondContact O-N 3.34Å
1897N58.6Low52.2Low75 Ų75126.4 Ų126.440%0.40160%0.598SS.*Hα-helixtrans-65.3-39174.2-78.2-36.4000112.2L1893 E1894 E1899 L1900 Y1901L1893-N1897 WeakPolarHBondContact O-CB 3.11Å; L1893-N1897 PolarHBondContact O-N 3.29Å; L1893-N1897 PolarHBondContact O-ND2 2.9Å; E1894-N1897 PolarHBondContact O-N 2.78Å; N1897-E1899 VanDerWaalsContact C-N 3.31Å; N1897-E1899 PolarHBondContact O-N 3.26Å; N1897-L1900 PolarHBondContact O-N 3.31Å; N1897-Y1901 WeakPolarHBondContact O-CD2 3.35Å; N1897-Y1901 PolarHBondContact O-N 2.85Å
1898Q65.5Low51.4Low99 Ų99128.1 Ų128.146%0.46361%0.608SS.*Hα-helixtrans-70.2-24.3175.2-73.5-170.529.300112.7E1894 Q1895 R1902E1894-Q1898 HydrophobicContact CG-CG 4.3Å; E1894-Q1898 WeakPolarHBondContact O-CB 3.26Å; E1894-Q1898 WeakPolarHBondContact O-CG 3.42Å; E1894-Q1898 PolarHBondContact O-N 3.07Å; E1894-Q1898 PolarHBondContact OE1-NE2 2.75Å; Q1895-Q1898 PolarHBondContact O-N 2.89Å; Q1898-R1902 WeakPolarHBondContact O-CB 3Å; Q1898-R1902 PolarHBondContact O-N 2.85Å
1899E59.5Low50Low112 Ų112127.6 Ų127.652%0.52362%0.623SS.*Hα-helixtrans-72.8-42.5166.9-76.5-173.1128.800111.5Q1895 F1896 N1897 Y1901 R1902 F1903Q1895-E1899 PolarHBondContact O-N 3.3Å; F1896-E1899 PolarHBondContact O-N 2.99Å; N1897-E1899 VanDerWaalsContact C-N 3.31Å; N1897-E1899 PolarHBondContact O-N 3.26Å; E1899-Y1901 PolarHBondContact O-N 2.82Å; E1899-R1902 VanDerWaalsContact O-CB 3.28Å; E1899-R1902 WeakPolarHBondContact O-CB 3.41Å; E1899-R1902 PolarHBondContact O-N 3.09Å; E1899-R1902 VanDerWaalsContact O-N 3.08Å; E1899-F1903 WeakPolarHBondContact O-CD2 3.16Å
1900L53.3Low49.2Very low101 Ų101127.4 Ų127.453%0.52963%0.633SS.*Hα-helixtrans-61-42.9173.9-69.3174.6000112.3F1896 N1897 R1902 F1903F1896-L1900 HydrophobicContact CD1-CD1 4.06Å; F1896-L1900 HydrophobicContact CE1-CD1 3.77Å; F1896-L1900 HydrophobicContact CE1-CG 4.4Å; F1896-L1900 HydrophobicContact CZ-CD1 4.46Å; F1896-L1900 WeakPolarHBondContact O-CG 3.27Å; F1896-L1900 PolarHBondContact O-N 3.34Å; N1897-L1900 PolarHBondContact O-N 3.31Å; L1900-R1902 PolarHBondContact O-N 2.75Å; L1900-F1903 PolarHBondContact O-N 2.84Å
1901Y47.3Very low47.5Very low198 Ų198129.3 Ų129.378%0.77664%0.642SS**THydrogen-bonded Turntrans-73-9.8174.8-76.3-64.3000114.3N1897 E1899 F1903N1897-Y1901 WeakPolarHBondContact O-CD2 3.35Å; N1897-Y1901 PolarHBondContact O-N 2.85Å; E1899-Y1901 PolarHBondContact O-N 2.82Å; Y1901-F1903 VanDerWaalsContact C-N 3.33Å
1902R38.7Very low45.7Very low181 Ų181130.4 Ų130.468%0.68365%0.647SS**THydrogen-bonded Turntrans-76.4-21.6175.8-157165.5-62.9-133.2-2.1112.9Q1898 E1899 L1900 I1904Q1898-R1902 WeakPolarHBondContact O-CB 3Å; Q1898-R1902 PolarHBondContact O-N 2.85Å; E1899-R1902 VanDerWaalsContact O-CB 3.28Å; E1899-R1902 WeakPolarHBondContact O-CB 3.41Å; E1899-R1902 PolarHBondContact O-N 3.09Å; E1899-R1902 VanDerWaalsContact O-N 3.08Å; L1900-R1902 PolarHBondContact O-N 2.75Å; R1902-I1904 VanDerWaalsContact C-N 3.28Å; R1902-I1904 PolarHBondContact O-N 3.31Å
1903F31.7Very low43.7Very low172 Ų172133.1 Ų133.175%0.75466%0.661SS**  trans-80.475.8173-70.2-79.3000110.9E1899 L1900 Y1901 P1905E1899-F1903 WeakPolarHBondContact O-CD2 3.16Å; L1900-F1903 PolarHBondContact O-N 2.84Å; Y1901-F1903 VanDerWaalsContact C-N 3.33Å; F1903-P1905 WeakPolarHBondContact O-CD 3.49Å
1904I37Very low42Very low142 Ų142137.8 Ų137.873%0.72868%0.681SS**  trans-56.3122.9163.5-62.7178.3000107.5R1902 I1906R1902-I1904 VanDerWaalsContact C-N 3.28Å; R1902-I1904 PolarHBondContact O-N 3.31Å; I1904-I1906 PolarHBondContact O-N 3.03Å
1905P33Very low39.8Very low108 Ų108137.8 Ų137.870%0.70169%0.69SS**  trans-59129.2179.6-25.435.1000111.2F1903 E1907F1903-P1905 WeakPolarHBondContact O-CD 3.49Å; P1905-E1907 PolarHBondContact O-N 3.35Å
1906I27.4Very low38Very low169 Ų169139.6 Ų139.687%0.86770%0.703SS**  trans-74.393.1173.5-56.8176.5000107.4I1904I1904-I1906 PolarHBondContact O-N 3.03Å
1907E30.1Very low35.8Very low171 Ų171140.2 Ų140.280%0.79971%0.711SS**  trans-58.6140.9169.9-81.2-158.9128.400110.3P1905 A1909P1905-E1907 PolarHBondContact O-N 3.35Å; E1907-A1909 PolarHBondContact O-N 3.35Å
1908P29.9Very low34.4Very low117 Ų117144.1 Ų144.176%0.7673%0.732SS**  trans-64.1128.3-172.725.2-34.2000111.3N1910P1908-N1910 PolarHBondContact O-N 3.24Å
1909A25.7Very low32.4Very low99 Ų99145 Ų14582%0.81874%0.744SS**  trans-59.998.3-174.500000112.4E1907E1907-A1909 PolarHBondContact O-N 3.35Å
1910N28.2Very low30.9Very low162 Ų162145.9 Ų145.987%0.86676%0.757SS**  trans-75.7142.4176-159-6.9000110.7P1908P1908-N1910 PolarHBondContact O-N 3.24Å
1911I27.6Very low29.5Very low148 Ų148147.1 Ų147.176%0.75976%0.763SS**  trans-81132.4-155.4-64.8175.3000112.5H1913I1911-H1913 PolarHBondContact O-N 3.1Å
1912H24.3Very low28.3Very low151 Ų151143.7 Ų143.770%0.69977%0.768SS**  trans-44.3122.4-179-164.575.6000114.6
1913H27.4Very low27.7Very low177 Ų177141.1 Ų141.182%0.81977%0.773SS**  trans-128.6155.2162.8-92.422.3000110.3I1911I1911-H1913 PolarHBondContact O-N 3.1Å
1914H27.7Very low27.4Very low171 Ų171139.2 Ų139.279%0.79278%0.775SS**  trans-71.8153.7-151.3-93.8-101.7000116.4
1915P26.8Very low26.8Very low107 Ų107140.5 Ų140.570%0.69578%0.783SS**  trans-84.7157.4-173.635.5-36.7000113.1
1916N28Very low26.5Very low148 Ų148143.9 Ų143.979%0.79179%0.787SS**  trans-147.7100.9156.3-148.62.7000112.7
1917I24.9Very low26.4Very low136 Ų136144.4 Ų144.470%0.69778%0.783SS**  trans27.6109137.6-51.3173.9000117.2
1918N27.6Very low26.2Very low158 Ų158143.1 Ų143.185%0.84578%0.781SS**  -160.9149.8116.5-102.6-34.1000111.1
1919T23.9Very low25.9Very low117 Ų117145.1 Ų145.172%0.71878%0.78SS**  trans-140.2108.8-172.1-57.50000111.3
1920T27.8Very low25.8Very low131 Ų131147.4 Ų147.480%0.80478%0.777SS**  trans-138.585.4169.2-48.70000106.7
1921I23.7Very low26.1Very low127 Ų127144.5 Ų144.565%0.65177%0.766SS**  66.4101.890.7-61.8164.5000111.1T1923I1921-T1923 HydrophobicContact CG2-CG2 4.01Å
1922S22.3Very low26Very low125 Ų125144.7 Ų144.787%0.87477%0.769SS**PPolyproline II helixtrans-98.2124158.7-54.50000108.7
1923T27.8Very low26.1Very low128 Ų128142.7 Ų142.779%0.78577%0.768SS**PPolyproline II helixtrans-102.3119.2171.246.30000110I1921I1921-T1923 HydrophobicContact CG2-CG2 4.01Å
1924T24.9Very low25.9Very low131 Ų131141.1 Ų141.180%0.80477%0.765SS**PPolyproline II helixtrans-78.7137.2174.333.40000111.7
1925N24.2Very low25.7Very low169 Ų169139.6 Ų139.690%0.90476%0.762SS**PPolyproline II helixtrans-65.6135.2172.4-91-26.5000111.6
1926K27.4Very low25.7Very low179 Ų179142.7 Ų142.778%0.77877%0.768SS**  trans-149.6124166.1-84.1-162.6176.7-177.40113.5
1927F24Very low25.4Very low180 Ų180140.6 Ų140.679%0.78977%0.765SS**  trans79.3147.8146.1-87.7-96.7000123.2
1928I26.2Very low25.5Very low145 Ų145140.4 Ų140.474%0.74477%0.769SS**  trans76.491.7162.6-57.4143.2000116.6
1929Q23.4Very low25.5Very low159 Ų159140 Ų14074%0.74377%0.767SS**  77.399.362.8-165.8176.27.600116.3
1930I24.4Very low25.7Very low147 Ų147139.3 Ų139.375%0.75476%0.762SS**  trans54.7143.2132.9-54.2175.6000119.6
1931P34.2Very low25.5Very low100 Ų100140.2 Ų140.265%0.64976%0.762SS**  cis-133.1-179.5-23.539.5-22.1000114.5
1932N24.5Very low25.6Very low152 Ų152141.4 Ų141.481%0.81377%0.765SS**  trans-173.5106.9145.7-91.1-32.9000107.8
1933T26.7Very low25.7Very low110 Ų110142.1 Ų142.168%0.67575%0.754SS**  67.7109.97965.20000117.4
1934N24.6Very low25.5Very low144 Ų144143.9 Ų143.977%0.7775%0.753SS**  trans79.6115.8138.8-82.6-12.8000123.9
1935L23.4Very low25.4Very low139 Ų139141.6 Ų141.673%0.72874%0.743SS**  95.2150.6125-70.2169.5000121.6
1936Q25.4Very low25.4Very low172 Ų172139.6 Ų139.680%0.80473%0.732SS**  trans65.1105.2170.5-70.1155.7-2.700114.9
1937S22.5Very low25.3Very low104 Ų104139.9 Ų139.973%0.72773%0.733SS**  cis70.7147.817.6101.60000116.9
1938V26.2Very low25.4Very low131 Ų131137.1 Ų137.179%0.79473%0.731SS**  trans82.998.7-174.9-169.80000116
1939L28.3Very low25.3Very low151 Ų151137.8 Ų137.879%0.79174%0.736SS**  -173.2133.2118.5-99.3173.5000112.7
1940T27.8Very low25.5Very low102 Ų102138.9 Ų138.963%0.62674%0.739SS**  trans39.5106151.553.80000122.4
1941D24Very low25.4Very low150 Ų150135.8 Ų135.880%0.80273%0.73SS**  62.1167104.2-55.9-44.7000123.6
1942E26.1Very low25Very low152 Ų152137.8 Ų137.871%0.7174%0.741SS**  trans82.770.1165.3-59.6-88.691.800118.7
1943Q24.1Very low24.9Very low140 Ų140135.1 Ų135.165%0.65473%0.734SS**  65130.9112.7-71.2-168.958.900122.8
1944H23.4Very low24.8Very low164 Ų164136.3 Ų136.376%0.75974%0.74SS**  trans69.6146.6141.9-75.4-132.9000119.2
1945S23.5Very low24.8Very low83 Ų83134.3 Ų134.358%0.5874%0.738SS**  cis-165.2168.8-20.354.30000110.9
1946N24.5Very low24.8Very low127 Ų127131.9 Ų131.968%0.67973%0.729SS**  trans81.9113.8154.9-64.5-16000121.5
1947F24.4Very low24.9Very low185 Ų185130.9 Ų130.981%0.81173%0.729SS**  trans58.1138.9133.4-72.5-99.7000121.1
1948V25.5Very low24.9Very low122 Ų122133.1 Ų133.174%0.73973%0.728SS**  cis-165.7162.7-22.499.80000109.8
1949N24.1Very low25Very low160 Ų160133.8 Ų133.886%0.85673%0.732SS**  trans-65.8138173.9-66.1-39.8000112.8
1950K27.5Very low25Very low182 Ų182133.9 Ų133.979%0.79173%0.731SS**  trans-121.7120.5151.4-166.1171.1-175.8176.50109.3
1951S23.1Very low25Very low82 Ų82137 Ų13757%0.57374%0.74SS**  trans-78.3148178.1178.80000111.3S1953S1951-S1953 PolarHBondContact OG-N 3.38Å; S1951-S1953 VanDerWaalsContact OG-N 3.12Å
1952T25.1Very low25.2Very low142 Ų142137.1 Ų137.187%0.87174%0.74SS**  trans-14283.3136.6-59.30000109.2
1953S22.7Very low25.5Very low96 Ų96135.6 Ų135.667%0.67174%0.742SS**  trans-103126.614654.10000108.8S1951S1951-S1953 PolarHBondContact OG-N 3.38Å; S1951-S1953 VanDerWaalsContact OG-N 3.12Å
1954V25.2Very low25.7Very low134 Ų134135.7 Ų135.781%0.81275%0.752SS**  trans-138.3101.2153.2-178.90000106.9
1955S24.4Very low26.2Very low103 Ų103133.2 Ų133.272%0.7275%0.753SS**  trans-75.2134.4155.852.60000108.5N1957S1955-N1957 PolarHBondContact O-N 3.29Å; S1955-N1957 VanDerWaalsContact O-N 3.16Å
1956T23.8Very low26.3Very low87 Ų87133.9 Ų133.953%0.53476%0.764SS.*  trans-58.1117.7161.1-60.90000109.2Q64Q64-T1956 VanDerWaalsContact NE2-CG2 3.33Å
1957N26.2Very low26.5Very low151 Ų151135.1 Ų135.181%0.80777%0.77SS**  trans-161.7133.1151.7-104.6-35.8000111S1955S1955-N1957 PolarHBondContact O-N 3.29Å; S1955-N1957 VanDerWaalsContact O-N 3.16Å
1958Q24.3Very low26.5Very low151 Ų151132.5 Ų132.571%0.70676%0.764SS**  trans-86.3150.5163.4-59.7175.44.600108.8
1959V28.3Very low26.6Very low145 Ų145131.9 Ų131.988%0.87976%0.76SS**  176.7151119.4151.50000108.2
1960M27.4Very low26.7Very low154 Ų154132.9 Ų132.976%0.75976%0.76SS**  trans-102.3160.1-164.7-157.6-171.9-65.300112.9
1961M27.5Very low26.6Very low166 Ų166132.6 Ų132.682%0.81876%0.759SS**  trans74.4116.2163.3-51.4-164.9-173.600118.2
1962N28.1Very low26.7Very low153 Ų153134.4 Ų134.482%0.81877%0.766SS**  -153.3155.4123.3-147.7-12.4000112.9
1963T32.8Very low26.7Very low120 Ų120133.1 Ų133.174%0.73676%0.759SS**  trans66.5121.2163.11.20000120.1
1964T28.1Very low27Very low143 Ų143135.7 Ų135.788%0.87777%0.765SS**  trans-116130.8161-63.70000109.2
1965S32.9Very low27.3Very low112 Ų112135.5 Ų135.578%0.78376%0.759SS**  trans-158.3141.5161.557.70000110.5
1966A27.1Very low27.4Very low96 Ų96136.4 Ų136.479%0.79376%0.756SS**  trans-147.8154.3-17700000111
1967L28.9Very low27.9Very low154 Ų154138.4 Ų138.481%0.80677%0.768SS**  trans-174145.1155-105.3162.2000112.4
1968N24.5Very low27.8Very low130 Ų130137.5 Ų137.570%0.69576%0.764SS**  trans44.4126160.7-63.5-2.5000121
1969T25.8Very low27.9Very low108 Ų108135.9 Ų135.966%0.66376%0.764SS**  cis88.7100.432.473.20000117.2
1970H28.1Very low27.9Very low182 Ų182136.4 Ų136.484%0.84376%0.76SS**  trans-157.9118.1142.2-125.2-81.6000106
1971F24.9Very low27.8Very low176 Ų176135.3 Ų135.377%0.77276%0.757SS**  cis85.3135.846.6-95.5-71.3000116.6
1972T25.5Very low27.9Very low119 Ų119132.5 Ų132.573%0.7375%0.746SS**  trans68118.2176.649.40000116.7
1973T24.5Very low27.8Very low116 Ų116132 Ų13271%0.71274%0.743SS**  cis92.712742.9-53.20000112
1974D29.4Very low27.4Very low149 Ų149130.9 Ų130.980%0.79774%0.74SS**  174.2151128.9-84.2-17.8000116.1
1975D31.5Very low27.3Very low131 Ų131128.4 Ų128.470%0.70173%0.729SS**  trans55.1104.4154.5-77.3-33.6000127.1
1976N26.8Very low27Very low122 Ų122129.3 Ų129.365%0.65273%0.73SS**  47.3122.6105.4-73.7-57.3000123.5
1977T32.6Very low26.8Very low129 Ų129129.2 Ų129.279%0.79172%0.723SS**  176.7122.4114.326.50000109.4
1978N25Very low26.7Very low132 Ų132133.4 Ų133.471%0.70673%0.728SS**  53.5135.573.6-74.1-36.2000113.9
1979T27.3Very low27.2Very low117 Ų117132 Ų13272%0.71873%0.726SS**  cis-165.1173.936.2-27.20000112.9
1980I26.7Very low27.2Very low156 Ų156134.4 Ų134.480%0.873%0.734SS**  trans81.9140.6156.7-68.5161.3000118.2
1981N26.7Very low27.3Very low130 Ų130131.3 Ų131.370%0.69573%0.733SS**  cis-170.2175.4-32.7-159.33.8000110.1
1982N28.2Very low27.4Very low108 Ų108131.9 Ų131.958%0.57874%0.738SS**  trans85.3114.9154.4-61.5-35.6000121
1983N27.2Very low28.1Very low142 Ų142131 Ų13176%0.75973%0.734SS**  66.1147.4121.3-55.5-18.1000121.2
1984S24.5Very low28.3Very low96 Ų96135.7 Ų135.767%0.67175%0.745SS**  cis-170.9162.3-16.452.40000112.4
1985S24.9Very low28.1Very low92 Ų92134 Ų13464%0.64374%0.74SS**  trans69.3142.2141.657.10000123.4
1986T27.2Very low27.8Very low131 Ų131133 Ų13380%0.80474%0.743SS**  trans70.1147.3148.945.30000121.7
1987S23.6Very low28.2Very low93 Ų93136.8 Ų136.865%0.6575%0.754SS**  cis179.4129.4-38.4470000113.3
1988R26.1Very low27.9Very low242 Ų242135.4 Ų135.491%0.91375%0.75SS**  trans60.3170.7150.2-84.7-174163.6-174.4-4.5118.1
1989P34Very low28.4Very low100 Ų100135.9 Ų135.965%0.64976%0.757SS**  -135.5-161.4-53.437.9-18.4000112.6
1990L25.5Very low28.4Very low159 Ų159135.7 Ų135.783%0.83276%0.756SS**  trans78.996.4158-64.7156.5000120.1
1991S30.3Very low28.5Very low117 Ų117132.8 Ų132.882%0.81875%0.75SS**  -172.2157.4109.835.10000111.6
1992H28.9Very low28.6Very low188 Ų188132.9 Ų132.987%0.8776%0.756SS**  trans-125.5-175.7175.7-61.7-64.3000108.8
1993P39.7Very low28.7Very low101 Ų101132.4 Ų132.466%0.65676%0.756SS**  -126.7174.3-77.639-24.3000111.9
1994F28.2Very low28.9Very low215 Ų215132.1 Ų132.194%0.94376%0.76SS**  trans-129.3158.7154-103.6-80.1000111.4
1995T24.5Very low29.4Very low112 Ų112134.7 Ų134.769%0.68777%0.766SS**  trans-131.1176.3-161.651.70000112.2
1996S26.2Very low29.7Very low110 Ų110136.2 Ų136.277%0.76977%0.772SS**  trans76.6151.1-178.286.30000114.5
1997K35.7Very low29.7Very low202 Ų202135.4 Ų135.488%0.87877%0.767SS**  cis-119.416311.2-69.7176.7179.8172.90113.8
1998S25.3Very low30Very low100 Ų100136.8 Ų136.870%0.69977%0.772SS**  trans-125.9154.6172.1165.90000108.6
1999T36.1Very low30.1Very low142 Ų142131.5 Ų131.587%0.87177%0.766SS**  trans-163.9135.2142.4-690000108.3
2000T27Very low29.9Very low113 Ų113132.6 Ų132.669%0.69377%0.771SS**  trans-151.2162.1-171.9-340000111.3
2001S28.2Very low30.1Very low95 Ų95130.7 Ų130.766%0.66477%0.766SS**  trans63.8104.7146.754.80000120.8
2002T29.7Very low29.9Very low133 Ų133130.8 Ų130.882%0.81676%0.761SS**  57.4157.9123.824.50000123.8
2003T30.2Very low29.8Very low97 Ų97130.1 Ų130.160%0.59576%0.758SS**  trans81.6107167.9-34.30000115.9N2005T2003-N2005 PolarHBondContact O-N 3.28Å
2004T31.9Very low29.5Very low137 Ų137131 Ų13184%0.8477%0.767SS**SBendtrans-54.5104.8149.644.30000108.9
2005N33.4Very low29.4Very low149 Ų149125.4 Ų125.480%0.79776%0.755SS**SBendtrans68.885.8-177.6-53.1-24.4000115T2003T2003-N2005 PolarHBondContact O-N 3.28Å
2006T31Very low29.7Very low125 Ų125127.6 Ų127.677%0.76776%0.762SS**  trans11127.5151.6-330000120.1
2007T28.7Very low29.6Very low114 Ų114129.1 Ų129.170%0.69976%0.76SS**  139.7139129.9-47.80000114.8
2008T30Very low29.2Very low122 Ų122127.7 Ų127.775%0.74876%0.756SS**  trans77.893.2159.923.20000123.7
2009V27.7Very low29.2Very low131 Ų131128.7 Ų128.779%0.79476%0.758SS**  56.6142.6122.8-173.20000123.2
2010T29.5Very low28.9Very low122 Ų122129.1 Ų129.175%0.74875%0.753SS**  trans118129.1146.1-4.40000121.1
2011T29.5Very low28.9Very low119 Ų119129.3 Ų129.373%0.7376%0.759SS**  trans73.8101.2150.2-54.60000124.1
2012V26.2Very low29.2Very low119 Ų119133.2 Ų133.272%0.72177%0.771SS**  trans20.7146.6133.8-138.40000124.3
2013H27.7Very low29.1Very low175 Ų175133.9 Ų133.981%0.8178%0.776SS**  trans106.8133.1135-102.7-58.3000122.5
2014S32.7Very low29.2Very low119 Ų119132.7 Ų132.783%0.83278%0.783SS**  trans111.1156.4140.6790000118.9
2015S25.5Very low29.3Very low98 Ų98136.6 Ų136.669%0.68579%0.788SS**  trans-146.2138.9-160.554.80000110.4
2016N31.9Very low29Very low158 Ų158134.3 Ų134.385%0.84578%0.784SS**  trans-151.587.9170.7-102.5-25.3000114
2017I24.7Very low28.9Very low142 Ų142134.9 Ų134.973%0.72878%0.782SS**  47.4124.2111.9-68.5175.8000120.4
2018H26.7Very low29.2Very low172 Ų172137.1 Ų137.180%0.79679%0.79SS**  trans79.6136.5151.7-105.5-77.8000124.3
2019V25.5Very low29.1Very low121 Ų121138.7 Ų138.773%0.73379%0.794SS**  trans-106.2148.3167.9175.70000108.6
2020I29.2Very low29.1Very low151 Ų151140.4 Ų140.477%0.77480%0.795SS**  trans174.2142.5137.6-90.9154.1000109.7
2021S27.9Very low29.3Very low117 Ų117142.4 Ų142.482%0.81880%0.799SS**PPolyproline II helixtrans-89.4151.8178.9-62.60000112.7
2022L34.2Very low29.1Very low176 Ų176144.3 Ų144.392%0.92181%0.805SS**PPolyproline II helixtrans-94.2148.8-179.8-70.3160.1000112.4
2023T27.7Very low29.4Very low147 Ų147147 Ų14790%0.90281%0.807SS**PPolyproline II helixtrans-99.8147.3168.248.90000110.5
2024G32Very low29.5Very low73 Ų73145 Ų14575%0.75380%0.798SS**  trans-166.172.8-16800000119.3
2025K33.8Very low29.4Very low219 Ų219146.5 Ų146.595%0.95279%0.792SS**  trans70.8157.6151-64.6-173.8175.6-176.80120.7
2026S26.3Very low29.9Very low100 Ų100150.1 Ų150.170%0.69980%0.803SS**  trans-121.8172.2178.7168.70000108.9
2027N29.2Very low30Very low137 Ų137149.3 Ų149.373%0.73380%0.798SS**  trans80.2137.6-179.9-44.77.8000111.6
2028D35.8Very low30.4Very low161 Ų161151.3 Ų151.386%0.86180%0.804SS**  cis-122.4175.926.1-71.1-55.4000115.6
2029N27.1Very low30.8Very low155 Ų155150 Ų15083%0.82980%0.803SS**  trans-131157.2173.2-170.74.1000108.8
2030M29.2Very low31.3Very low167 Ų167153.4 Ų153.482%0.82381%0.811SS**  trans68.1130.2-157.2-45.3-178.371.800111.2
2031I31.9Very low31.3Very low164 Ų164156.1 Ų156.184%0.84181%0.813SS**  cis-132147.831.8-73.9165000110.9
2032N26.6Very low31.5Very low159 Ų159165 Ų16585%0.8583%0.83SS**  trans-128.3112.6171-179.55000109.6
2033K31.8Very low31.3Very low175 Ų175164.4 Ų164.476%0.76183%0.826SS**  trans-174.3151162.3-112.6175.2-176.1-174.40111.6
2034Q29.5Very low31.5Very low135 Ų135165.3 Ų165.363%0.63182%0.822SS**  trans55.8102.5179.4-94.843.150.800115
2035E31.6Very low31.5Very low149 Ų149170.4 Ų170.470%0.69683%0.826SS**  7696.363.7-171.7176.7-113.300111.3
2036L35.1Very low31.3Very low175 Ų175167.6 Ų167.692%0.91682%0.818SS**  trans-119.2110.3162.2-87.8165000107
2037L33.6Very low31.7Very low141 Ų141171.8 Ų171.874%0.73883%0.826SS**  trans-88.5167.7158.8-78.2162.2000108.5
2038E34.1Very low31.8Very low183 Ų183174.1 Ų174.186%0.85583%0.832SS**  trans70.7131.2-175.2-51.3173.3-173.100111.3
2039D35.1Very low31.5Very low144 Ų144175.1 Ų175.177%0.7783%0.83SS**  cis-122.8139.723.9-74-56.8000114.8
2040E35.4Very low31.9Very low194 Ų194176.6 Ų176.691%0.90783%0.83SS**  trans-91.191.6161.2-177.8177.6-137.900109
2041Y30.2Very low32.1Very low208 Ų208177.4 Ų177.482%0.81683%0.83SS**  trans-154.375.5178.8-119.6-71.7000113.7
2042Y30.6Very low32.1Very low302 Ų302178.6 Ų178.6100%1.18483%0.829SS**  trans-166.80142.3-114.7-64.7000114

Retrieved 2,042 of 2,042 residues in 543.7 ms (Link to these results)