A0A5K4FBW2_SCHMA Loading...

Ras-responsive element-binding protein 1

AlphaFold DB , UniProt , Accession A0A5K4FBW2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,476 aa.

>A0A5K4FBW2_SCHMA|A0A5K4FBW2
MLKNSMSTLVLPNFHSTSENCLNFQDSLNVESNLPNLPPVSNWNYEDTTTYISNLNLQNSIPNIIDNHMISHYQSTQNLLNSSKQSLPSSLLLPSYADSGCLSLNDETSMINVNHSTSTPVHIVDNDSTTPTSHISTTTISPINIDSLDNMMNETQIIVVSPNNNQTNSITIKDHSKITTTVNPSTITVNTNTTCTNTNNDQLIEQKPLRIVNYSEENQTPLIKQSMDEYKRNLNMLNLSSNMVKNKQTDEIHQDESHSDSELNLSTESINRKNRAEVKIQPYALRGNIEVFRCPLCSKDEIFSRGHLTNHLQDHQSNFKREDYKHVCCFCFSELSSNSSLERHLLTHTNHRPFNCNLCDKAFTTNGNLSRHIRTSHQAKATTVNNLTSLTSTTSSSTIQSITKQSTFLPNWFQSSNSLHVSPISNTYTKLKSSSNQHTIEMNEYQDRCNIQKSPVKSSDLNNHGIDSSKMLKSHSGNDVCMSKMNLLQSTSNNNKQSNMNTGSCINNLQNTPSYLNKTLQMEPIKFTSINSEEYQTDYSPNNLMDRSTNYIKHEQQNKDENLNKFTEIESWSSYKPNTTLTLLQMFSNYWLQLSKNGILNSSSHTNLDSRTVIASLLPSFLFRNSTINSTFESNDTSSSVKNNEYVVNENFSHCLSTNSESPRIIIREIPPLITNDMEEKLDCKFYKTYDFNPTDYVISSSPNTNLVNDRFPLKPSKYVNKTNRNIKRKSRITKLCSTKIFSVRYILAKKKKSLSVIGKRRQTRKVTKIKFQPLSPLRFDFEQNKSYGLKQDELPENQFSPYRSQILQNQHILSNTDYVCSPNNLSNASGRHSPIQCSYNDNYLTDVTELNYTQSLESNSDEVLDLSLHNRKQVQTLSRTNIPWIKNFDVTLKPPVFTPINTSDTFCSSYTTPNILAQSEADIKLPNQELNFNSILHNIYHLPIMQHMKTLPTSINNEYNRDTTTGTTISNNNPLNILSLPANTLNNGKIFPVHSTIPTTLIQKKNSYKDAPKLITCPIAGCQQKFPWNSSLKRHILTHTPHKPFACTRCTKSFSTKSNRERHMERVHRVSLKRQRQRFHQSNMSIQSPSSGDNRSELSGHNSNLNSISRTNIGDNDQELDNIEELREDEIISMNSNEKQAEDISNSLLIRAGDPVVEPNPERLYNAALLAVANSTRSGLTNYLNDTSSTCINDIPQSMLPTVRVRLGRTGRVGRRPRRGNMLNMRSNVLEKGDQMTFHTIPQTSNANNSMLDDVTEPPVDLSMQSTSKNTSTLSCPVCSVPVASRCFRRHLTLHQLDNPVFRCHLCQQTFQDQVSTLTHWAIEHSNEWAKFVKKLSSSERSADVLTQIQLTLSKNNQTKAELEKQHETNKNLLESKDPINYSLKTTTYDMRYVSCCVCLHRFGSQQDLQRHMRSHTGERPFVCPHCGKEFSLKHSMHRHARVHIKESARTNTSKNVLLSTSNHSCTTFKSEEIS
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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
1M30.3Very low28.5Very low254 Ų254157.3 Ų157.3100%1.25185%0.853SS**  0179.90-93.9-169.8161.100110
2L32.4Very low28.5Very low170 Ų170154.6 Ų154.689%0.8985%0.85SS**  trans-58.6155.5-170.5-73.6159.5000114.7
3K29.9Very low27.8Very low194 Ų194152.8 Ų152.884%0.84384%0.838SS**  trans-65.4126.8148.5-71175.9176179.50108.1
4N32.5Very low27.6Very low157 Ų157155.3 Ų155.384%0.8484%0.837SS**  trans178.7115.7141-96-10.7000111.5
5S37.3Very low27.4Very low127 Ų127155.6 Ų155.689%0.88883%0.831SS**  trans-166.160.3160.845.30000110.9
6M22.5Very low26.7Very low181 Ų181152.3 Ų152.389%0.89282%0.823SS**  trans-70.5143.5154.1-86.3-76.9-140.600109.1
7S26.7Very low26.8Very low97 Ų97151.8 Ų151.868%0.67883%0.827SS**  trans144.7133.8130.3-65.50000114.3
8T26.4Very low26.4Very low129 Ų129149.1 Ų149.179%0.79182%0.821SS**  trans63.4146.5148.855.80000118.5
9L29.5Very low26.2Very low150 Ų150149.6 Ų149.679%0.78582%0.817SS**  cis-148.4141.237.6-77.9164.3000114.7
10V26.3Very low26.1Very low129 Ų129148.2 Ų148.278%0.78281%0.809SS**  trans68.9134.7133.1178.20000122.2
11L20.2Very low25.8Very low142 Ų142146.3 Ų146.374%0.74381%0.805SS**  trans-98165.3166.2-64.9111.7000112.1
12P28Very low25.5Very low125 Ų125142 Ų14281%0.81279%0.787SS**  trans-115.1123.2143.933.7-23.4000112.2
13N20.3Very low24.8Very low131 Ų131140.6 Ų140.670%0.70178%0.78SS**  trans-98.2156.9158.4-74.7-27.1000108.6
14F24.3Very low24.4Very low188 Ų188140.7 Ų140.783%0.82578%0.781SS**  -173.4146.3121.2-102.4-56000116.2
15H24Very low23.7Very low160 Ų160140.6 Ų140.674%0.74178%0.775SS**  trans46.1117.3156-80.5-61000124.1
16S17.6Very low23Very low102 Ų102140.2 Ų140.271%0.71376%0.763SS**  trans-71156142.652.80000113.2
17T27.8Very low22.9Very low144 Ų144136.2 Ų136.288%0.88375%0.753SS**  trans-132.6167.8153.644.30000109.8
18S19.4Very low22.7Very low104 Ų104138.4 Ų138.473%0.72776%0.756SS**  trans-148.6179.4-163.247.80000112.3
19E22.7Very low22.4Very low158 Ų158139 Ų13974%0.73876%0.755SS**  trans105123.2155.2-67.7-169.3-162.200121.7
20N23.8Very low22.1Very low121 Ų121138 Ų13865%0.64776%0.755SS**  77.5102.4128.3-61.5-17.3000123.1
21C20.3Very low21.9Very low110 Ų110139.9 Ų139.974%0.74376%0.755SS**  44.8127.5110.6-54.80000120.9
22L23.1Very low22Very low164 Ų164137.7 Ų137.786%0.85975%0.751SS**  -170.8165.8101.7-102.1168000113.5
23N18.2Very low22Very low140 Ų140138.9 Ų138.975%0.74975%0.751SS**  trans-82.5166.3177.7-51.9-48.1000111.9
24F22.3Very low22.2Very low196 Ų196140.3 Ų140.386%0.8676%0.758SS**  -159.5158.7115-121.9-84.3000112.4
25Q18Very low22.6Very low154 Ų154137.3 Ų137.372%0.7276%0.757SS**  trans-90.3163.1170.5-59.1159.7-140.500110.5
26D22Very low22.4Very low120 Ų120137 Ų13764%0.64276%0.761SS**  160.2150.6100.4-93.5-29.7000115.7
27S20.5Very low22.8Very low97 Ų97139.7 Ų139.768%0.67877%0.766SS**  trans75.2123.8138.2-74.70000125.1
28L21.6Very low22.9Very low142 Ų142137.9 Ų137.974%0.74376%0.757SS**  trans86.7112.5131.7-65.9166.9000122.8
29N20.2Very low23.3Very low141 Ų141139.1 Ų139.175%0.75476%0.763SS**  38.1136.7123.2-53.71000121.8
30V24.2Very low23.6Very low130 Ų130138.6 Ų138.679%0.78877%0.77SS**  -177.2137.598.1153.90000113.5
31E21.2Very low23.7Very low168 Ų168137.3 Ų137.379%0.78577%0.771SS**  trans-13.9151.7167.3-50.4179.2113.100126.1
32S23.4Very low23.8Very low96 Ų96140 Ų14067%0.67178%0.778SS**  trans84.2120.2133.671.90000123.6
33N26.2Very low23.8Very low151 Ų151143 Ų14381%0.80778%0.778SS**  177171.397.4-95.9-65.1000116.2
34L24.7Very low24.1Very low160 Ų160143 Ų14384%0.83878%0.778SS**  trans-84-173.8-175.1-102.770.8000114.2
35P33.3Very low24.1Very low125 Ų125143.4 Ų143.481%0.81278%0.775SS**  cis-130.7-157.50.633.7-10.1000114.8
36N20.8Very low24.4Very low154 Ų154144.4 Ų144.482%0.82478%0.78SS**  trans-138.6174.3-171.1-140.9-29.2000112.7
37L25.2Very low24.7Very low158 Ų158145.9 Ų145.983%0.82779%0.788SS**  trans87.3155.6175.6-57.6166.7000118.3
38P29.8Very low25Very low107 Ų107146.1 Ų146.170%0.69579%0.785SS**  cis-129.3170.6-30.936-19.5000113.8
39P28.5Very low25.3Very low129 Ų129146.3 Ų146.384%0.83879%0.793SS**PPolyproline II helixtrans-84.1156.4-179.433.9-36.1000114.9
40V29.1Very low25.5Very low147 Ų147145 Ų14589%0.89179%0.79SS**PPolyproline II helixtrans-96145.8177179.10000111.4
41S25Very low25.6Very low95 Ų95150 Ų15066%0.66480%0.796SS**PPolyproline II helixtrans-88.5148.7-168.9480000115.8
42N23Very low25.6Very low166 Ų166148.2 Ų148.289%0.88879%0.791SS**PPolyproline II helixtrans-66.3154.9163-80.4-25.1000111.6
43W22.9Very low25.6Very low227 Ų227147.9 Ų147.986%0.8679%0.788SS**PPolyproline II helixtrans-100.5138.2174.1-77.424.9000112
44N24Very low25.4Very low141 Ų141148.1 Ų148.175%0.75479%0.79SS**  trans26158.5139.6-54.8-3.5000122.5
45Y21.8Very low25.4Very low203 Ų203148.4 Ų148.480%0.79679%0.791SS**  cis-171.5-173.5-41.4-143.3-100.8000106.6
46E25.8Very low24.9Very low175 Ų175150 Ų15082%0.81879%0.793SS**  trans75.3133.4179.3-55.6170.7-170.400112.8
47D27.7Very low25.2Very low151 Ų151149.5 Ų149.581%0.80779%0.79SS**  cis-125.6172.614.2-141.7-26.9000114
48T25.8Very low24.9Very low102 Ų102150.1 Ų150.163%0.62679%0.788SS**  trans-104.9140.6-157.9610000116.7
49T29.4Very low24.7Very low147 Ų147152 Ų15290%0.90279%0.793SS**  trans-134.5134.6140.852.90000110.2
50T24.7Very low24.4Very low114 Ų114151.1 Ų151.170%0.69979%0.789SS**  trans-88.9130.9-170.650.50000113.3
51Y25Very low24Very low233 Ų233150.9 Ų150.991%0.91478%0.782SS**  trans-140.6132.2138-133.5-93.8000109.2
52I22Very low24.1Very low132 Ų132152.2 Ų152.268%0.67779%0.788SS**  trans-125.7157.7-168.2-74.2177.6000110.1
53S22Very low24.1Very low89 Ų89150.5 Ų150.562%0.62278%0.779SS**  trans75.6109.816351.60000119.3
54N22.9Very low24.3Very low156 Ų156147.9 Ų147.983%0.83478%0.78SS**  75.3110.2124.1-54.9-6.9000119.5
55L25.5Very low24.4Very low166 Ų166147.6 Ų147.687%0.86978%0.777SS**  -146.8133112-111.1164.7000110.4
56N21.3Very low24.7Very low157 Ų157145 Ų14584%0.8478%0.776SS**  trans-100.5122178.3-99.4-17.4000110.2
57L26.8Very low24.7Very low145 Ų145142.5 Ų142.576%0.75977%0.769SS**  trans-162.3112.1158.5-92.1124.9000103.8
58Q20.8Very low24.6Very low170 Ų170143.2 Ų143.279%0.79477%0.767SS**  cis65.3132.237.3-130.6-178.314.400112.5
59N24.1Very low24.6Very low148 Ų148146.2 Ų146.279%0.79178%0.776SS**  trans74.3135.3-160.7-49.2-29.9000113.3
60S23.4Very low24.4Very low110 Ų110147 Ų14777%0.76977%0.773SS**  cis-157.8146.2-6.444.80000111.3
61I20.7Very low24.4Very low142 Ų142146 Ų14673%0.72877%0.77SS**  trans-85.5147172.3-58.5162.3000108.9N63I61-N63 WeakPolarHBondContact CG2-OD1 3.31Å
62P26.4Very low24.4Very low122 Ų122143.4 Ų143.479%0.79277%0.766SS**  -127.714512035.8-30.5000112.6
63N23.5Very low24.3Very low131 Ų131145.8 Ų145.870%0.70177%0.768SS**  trans-79.8150.7177.3-63-38.3000111.2I61I61-N63 WeakPolarHBondContact CG2-OD1 3.31Å
64I26.8Very low24.4Very low171 Ų171148.8 Ų148.888%0.87777%0.772SS**  trans-130126.2146-60.5-179.2000106.8
65I26.4Very low24.5Very low136 Ų136145.6 Ų145.670%0.69776%0.762SS**  trans-123.6127.3169.4-68.8172.6000105.8
66D27.7Very low24.4Very low147 Ų147143.5 Ų143.579%0.78676%0.756SS**  trans-153.4163.1136.7-131.4-37.4000112.3
67N25.3Very low24.4Very low124 Ų124144.2 Ų144.266%0.66376%0.755SS**  trans-90.5145.4-152.2-64.8-91.4000114.8
68H26.2Very low24.3Very low166 Ų166144.3 Ų144.377%0.76976%0.756SS**  -166.6152.6119.4-122.6-91.2000114.7
69M25.2Very low24.4Very low164 Ų164144.3 Ų144.381%0.80876%0.76SS**  trans58.693.4167.4-64.1-54.7179.600118.6
70I26.7Very low24.4Very low163 Ų163144.5 Ų144.584%0.83676%0.761SS**  trans-86.4157.9158.2-76.8175.5000110.5
71S23.5Very low24.3Very low93 Ų93146.4 Ų146.465%0.6576%0.762SS**  trans-53157.5-177.458.70000116.8
72H25.2Very low24.3Very low179 Ų179145.1 Ų145.183%0.82977%0.766SS**  trans-128.3111.9130.9-142.2-91.7000110.7
73Y20.9Very low24.1Very low183 Ų183144.8 Ų144.872%0.71877%0.767SS**  trans-125.6121.2177.9-169.7-97.9000108.8
74Q24Very low24.1Very low152 Ų152148.5 Ų148.571%0.7178%0.776SS**  trans53.3104169.3-63.6-178.6-2.300118.6
75S24.8Very low24Very low89 Ų89147.4 Ų147.462%0.62277%0.768SS**  trans-144.6141.4136.655.20000111.4
76T22.9Very low23.8Very low121 Ų121145.9 Ų145.974%0.74277%0.769SS**  trans18.1121.1156.450.20000118.4
77Q22Very low23.6Very low173 Ų173146.4 Ų146.481%0.80877%0.771SS**  cis42.463.144-73.6-74.9-0.500113.2
78N23.2Very low23.9Very low146 Ų146145.8 Ų145.878%0.78177%0.774SS**  trans168.2103.8131.7-86.4-29.1000113
79L23.9Very low23.6Very low170 Ų170143 Ų14389%0.8977%0.773SS**  trans-172.279.3154.1-106.1157.9000106.8
80L22.6Very low23.4Very low153 Ų153140 Ų14080%0.80177%0.768SS**  67118.883.9-135.7166.2000112.5
81N21.4Very low23.4Very low149 Ų149140 Ų14080%0.79777%0.769SS**  trans-38.9141.4173.5-43.9-56000111.8
82S21.9Very low23.4Very low115 Ų115142 Ų14280%0.80477%0.772SS**  cis178.7152.547.952.10000112.1
83S22.8Very low23.3Very low116 Ų116140.8 Ų140.881%0.81177%0.77SS**  trans-148.4109.1150.951.80000110.9
84K22.6Very low23.8Very low208 Ų208137 Ų13790%0.90477%0.769SS**  trans-94.9133.7158.8-74.6-175.9176.4-177.50107.4
85Q24.2Very low23.7Very low148 Ų148134 Ų13469%0.69277%0.765SS**  trans-115.3169.9154.1-75.5-177-1.500108.8N824Q85-N824 PolarHBondContact NE2-O 3.29Å
86S22.2Very low23.7Very low105 Ų105140 Ų14073%0.73478%0.775SS**  trans-154.2-178.5-160630000112.4
87L24Very low24Very low157 Ų157138.5 Ų138.582%0.82278%0.775SS**  trans83.1156.2177.4-58.7163.3000115.1
88P31Very low24Very low111 Ų111136.6 Ų136.672%0.72177%0.77SS**  cis-121.8168.24.727.3-5.9000116.5
89S20.1Very low24.1Very low107 Ų107134.7 Ų134.775%0.74877%0.768SS**  trans22.7150.7134.3-48.30000121.1
90S22Very low24Very low101 Ų101130 Ų13071%0.70676%0.761SS**  cis-168162.717.430.90000111.4
91L26.3Very low24.1Very low165 Ų165128.4 Ų128.486%0.86476%0.761SS**  176.3154.3120.7-93.3167.6000114.4
92L24.1Very low24.2Very low134 Ų134128.9 Ų128.970%0.70276%0.763SS**  trans-83.9146.6-160.9-81.782.3000117.3
93L21.8Very low24.2Very low153 Ų153127.7 Ų127.780%0.80175%0.754SS**  trans52.4172.2131.9-90.364.5000122.1
94P32.7Very low24.3Very low105 Ų105129.3 Ų129.368%0.68275%0.753SS**  cis-134.8172.1-17.135-16.1000116.7
95S21.1Very low24.3Very low89 Ų89125.1 Ų125.162%0.62274%0.741SS**  trans13140.8147.865.60000123.3
96Y25.4Very low24.4Very low214 Ų214124.4 Ų124.484%0.83974%0.742SS**  -170.4179.9101.7-112.4-77.7000112.2
97A28.2Very low24.5Very low90 Ų90127 Ų12774%0.74474%0.743SS**  trans79.762.5169.600000119
98D23.1Very low24.8Very low133 Ų133125.3 Ų125.371%0.71174%0.739SS**  32.1112.4125-87.7-72.2000123.8
99S24.7Very low24.4Very low105 Ų105124.2 Ų124.273%0.73473%0.733SS**  53.3120.1114.869.50000122.9
100G22.7Very low24.7Very low71 Ų71126.9 Ų126.973%0.73274%0.736SS**  11895.8121.100000119.2
101C23.9Very low25Very low121 Ų121128.6 Ų128.682%0.81874%0.736SS**  175121.3104.8-880000114.4
102L22.6Very low24.9Very low158 Ų158127.6 Ų127.683%0.82773%0.731SS**  36.7128.4128.5-58.9172000118.5
103S21.9Very low25.1Very low90 Ų90126.1 Ų126.163%0.62973%0.728SS**  cis160176.427.947.70000108.5
104L25Very low25.2Very low151 Ų151124.5 Ų124.579%0.79172%0.72SS**  trans71.4142.4163.8-59.1170.8000117.9
105N23.5Very low25Very low120 Ų120127.2 Ų127.264%0.64272%0.723SS**  cis-166.6179.9-31.7-133.654000109.9
106D27.1Very low25.2Very low132 Ų132127.6 Ų127.671%0.70673%0.726SS**  trans67.3154.3156.5-53.3-20.6000119.5
107E24Very low25.1Very low161 Ų161123.3 Ų123.375%0.75272%0.722SS**  cis-162.3177.9-46.4-139.4-166-151.100109.8
108T28.9Very low24.8Very low121 Ų121123.5 Ų123.574%0.74272%0.718SS**  trans67163.7170.169.20000119.1
109S23.4Very low24.9Very low87 Ų87123.4 Ų123.461%0.60872%0.722SS**  -173.6-171.5-66.955.50000109.3
110M26.4Very low25.1Very low163 Ų163124.7 Ų124.780%0.80373%0.728SS**  trans74.2113.5-178.5-49.7-58.3171.400115.8
111I27.3Very low25Very low138 Ų138127.4 Ų127.471%0.70873%0.731SS**  cis108.41348.6-57.6168000115.3
112N26.1Very low25Very low143 Ų143129.6 Ų129.677%0.76573%0.728SS**  trans82150.2162.2-78.9-1.8000122.4
113V27Very low25Very low103 Ų103128.8 Ų128.862%0.62472%0.723SS**  cis-170.7141.1-37.31160000114.1
114N25.2Very low25.1Very low119 Ų119129.7 Ų129.764%0.63673%0.725SS**  trans22.8164.4149.8-47-11.8000128.1
115H27.8Very low24.9Very low162 Ų162129 Ų12975%0.7572%0.722SS**  trans93.2148.2149-58.5-56.7000118.5
116S24.9Very low25Very low98 Ų98129.5 Ų129.569%0.68573%0.725SS**  cis178.8160.6-11.550.50000110.5
117T22.8Very low24.9Very low124 Ų124129.2 Ų129.276%0.76172%0.723SS**  cis-173.5175-1331.30000111.2
118S23.4Very low24.9Very low94 Ų94126 Ų12666%0.65772%0.719SS**  trans74.2112.3141.756.90000125.4
119T24.3Very low24.9Very low130 Ų130126.8 Ų126.880%0.79872%0.723SS**  41139.5126.159.70000123.5
120P29.2Very low25Very low132 Ų132128.9 Ų128.986%0.85773%0.733SS**  -144.8-154.287.939.6-20.8000116.6
121V21.3Very low25.2Very low129 Ų129125.7 Ų125.778%0.78272%0.724SS**  trans-158.8164.8-153.81370000115.9
122H22.6Very low25.1Very low166 Ų166125.1 Ų125.177%0.76973%0.727SS**  trans101.3143.6152.2-95.9-46.5000125.4
123I22.7Very low24.9Very low142 Ų142122 Ų12273%0.72872%0.717SS**  trans81.7150.5140.2-79.7163.5000121.9
124V23.5Very low24.9Very low109 Ų109124.5 Ų124.566%0.66172%0.721SS**  cis-172.8155.5-37.395.30000114.1
125D22.2Very low24.8Very low135 Ų135126 Ų12672%0.72273%0.728SS**  trans61.5146.8152.1-61.1-19.5000130.1
126N25Very low24.6Very low132 Ų132123.1 Ų123.171%0.70673%0.726SS**  trans110.4119.8131.4-87.719.1000127.8
127D24.7Very low24.4Very low126 Ų126124.2 Ų124.267%0.67473%0.728SS**  81.2104.6124.2-73.9-18.8000128.5
128S24.7Very low24.4Very low94 Ų94123.8 Ų123.866%0.65773%0.726SS**  102152.9103.8790000125.2
129T27.8Very low24.3Very low136 Ų136124.5 Ų124.583%0.83473%0.726SS**  trans97.7157.4159.268.10000122.1
130T25.6Very low24.2Very low132 Ų132126.1 Ų126.181%0.8173%0.728SS**  trans-137.6-155.6-154.453.80000110.3
131P30.4Very low23.8Very low96 Ų96124.6 Ų124.662%0.62372%0.721SS**  cis-145.4171.9-4.641.8-21.2000119.3
132T25.1Very low24.6Very low126 Ų126123.5 Ų123.577%0.77372%0.716SS**  trans56.6155.7142.151.10000123.3
133S23.7Very low24.7Very low78 Ų78123.4 Ų123.455%0.54572%0.72SS.*  cis-173.5174.2-17.3510000112.6
134H25.5Very low24.5Very low154 Ų154123.1 Ų123.171%0.71372%0.72SS**  trans78.8127170.4-51-62.7000117.3
135I24.5Very low24.6Very low152 Ų152125.1 Ų125.178%0.77973%0.725SS**  78.3129.151.4-62.5168.3000110.6
136S23.3Very low24.6Very low101 Ų101125.3 Ų125.371%0.70673%0.726SS**  cis-152164.929.219.20000115.7
137T20.6Very low24.6Very low120 Ų120124.1 Ų124.174%0.73673%0.728SS**  trans-5.6161.5149.366.90000119.9
138T22.3Very low24.8Very low115 Ų115125.6 Ų125.671%0.70674%0.735SS**  cis172155.448.6-0.90000106.1
139T21.8Very low24.9Very low109 Ų109129 Ų12967%0.66975%0.746SS**  cis-175.2151.9-11.217.10000111.7
140I21.8Very low24.9Very low164 Ų164129.5 Ų129.584%0.84174%0.744SS**  trans74.1144.1145.2-66.7164.1000121
141S21.5Very low24.9Very low101 Ų101131 Ų13171%0.70674%0.743SS**  trans-98.2-156.7179.561.50000111.6
142P36.8Very low24.6Very low105 Ų105134.8 Ų134.868%0.68276%0.755SS**  cis-125.3-167.5-23.237.6-19.4000111.6
143I26.1Very low24.8Very low164 Ų164136.2 Ų136.284%0.84176%0.758SS**  178.5148.3121.8-92.7161.2000111
144N18.5Very low24.9Very low136 Ų136140.6 Ų140.673%0.72777%0.77SS**  trans-117141.7175.2170.437.6000108.7
145I25.1Very low24.8Very low152 Ų152138.8 Ų138.878%0.77977%0.77SS**  trans179.5147.6148.3-96.8151.6000110.4
146D22.3Very low24.9Very low139 Ų139140.7 Ų140.774%0.74378%0.775SS**  trans-65.3154.1-176.1-45.2-95.3000115.4
147S25.3Very low24.8Very low107 Ų107143.8 Ų143.875%0.74878%0.782SS**  144.8155.4113.7-163.40000114.9
148L27.8Very low24.8Very low156 Ų156145.2 Ų145.282%0.81778%0.784SS**  trans7070.6164.6-114.171.4000119N150L148-N150 PolarHBondContact O-N 3.35Å
149D26.6Very low24.8Very low166 Ų166146 Ų14689%0.88879%0.788SS**  trans-61.8108150-86.4-49.2000110.5
150N28.8Very low24.7Very low147 Ų147146.3 Ų146.379%0.78679%0.789SS**  trans-158.8141153.2-130.2-30.6000114L148L148-N150 PolarHBondContact O-N 3.35Å
151M25.7Very low24.7Very low162 Ų162143.7 Ų143.780%0.79879%0.786SS**  trans57.889.3168.2-58.3-164.369.400118
152M23.8Very low25.3Very low177 Ų177144.1 Ų144.187%0.87279%0.786SS**  8.9114.6119.9-68.9-79.6-172.700115.8
153N29.9Very low24.8Very low156 Ų156145.7 Ų145.783%0.83479%0.789SS**  trans-156.4143.9133.5-105.4-13.1000112.6
154E25.3Very low24.7Very low170 Ų170144.6 Ų144.679%0.79479%0.785SS**  trans-35.2121.6175-65.2168.9157.700114.3
155T24Very low25Very low116 Ų116144.4 Ų144.471%0.71278%0.784SS**  39.7106.594.263.80000116
156Q26.7Very low24.9Very low191 Ų191145 Ų14589%0.89378%0.783SS**  -169.1141.9115.2-103.2167.655.900111.5
157I21.2Very low24.9Very low167 Ų167143.9 Ų143.986%0.85678%0.781SS**  trans-99.4134.8178.4-68.2174.1000109.2
158I18.9Very low24.9Very low150 Ų150146.3 Ų146.377%0.76979%0.786SS**  trans-108.2121.1179.2-59.3168.2000109.6
159V22.4Very low24.5Very low130 Ų130144.5 Ų144.579%0.78879%0.786SS**  trans-140.491.2156.4-1720000111.7
160V20.8Very low24.3Very low116 Ų116144.3 Ų144.370%0.70378%0.784SS**  trans24.3123.3135-171.10000120
161S22.3Very low24Very low110 Ų110143.8 Ų143.877%0.76979%0.786SS**  173.2156.6126.6-77.30000111.4
162P33.3Very low23.9Very low109 Ų109143.7 Ų143.771%0.70879%0.787SS**  -133.6173.6-69.235.3-16.1000115.2
163N25.5Very low23.8Very low139 Ų139144.4 Ų144.474%0.74379%0.785SS**  trans71.5104.6158.6-69.2-6.4000122.4
164N24.8Very low23.6Very low140 Ų140143.3 Ų143.375%0.74978%0.78SS**  72.8138.2125-70-3.6000124.3
165N24.8Very low23.7Very low133 Ų133143.2 Ų143.271%0.71178%0.779SS**  trans79.688.2150.2-66.90.3000121.2
166Q23Very low23.8Very low164 Ų164143.5 Ų143.577%0.76679%0.786SS**  71.7111.3120.4-71.1-176.6-6.300121
167T22.7Very low23.6Very low115 Ų115143.6 Ų143.671%0.70678%0.783SS**  trans78129.9132.958.70000121.5
168N23.9Very low23.7Very low159 Ų159143.2 Ų143.285%0.8578%0.781SS**  trans79.7134.6153.9-60.1-12000118.7
169S20.2Very low23.8Very low117 Ų117142.7 Ų142.782%0.81879%0.785SS**  trans-89.3136.8-169.444.60000112.9
170I22.5Very low23.8Very low163 Ų163142.1 Ų142.184%0.83678%0.782SS**  trans-133.9136.9158.1-65.6-175.1000108.4
171T21.9Very low23.8Very low136 Ų136142.5 Ų142.583%0.83479%0.785SS**PPolyproline II helixtrans-83.7134.9174.538.40000111.1
172I23.9Very low23.8Very low159 Ų159143 Ų14382%0.81578%0.783SS**PPolyproline II helixtrans-95133.1173.6-63.9177.9000109.3
173K22.2Very low23.4Very low193 Ų193145.1 Ų145.184%0.83979%0.788SS**PPolyproline II helixtrans-103.5141.7165.4-68.1175.6176.8175.80108.3
174D24.9Very low23.7Very low133 Ų133144.4 Ų144.471%0.71179%0.791SS**  trans-169.2148154.7-93.7-32.3000108.8
175H28.3Very low23.8Very low167 Ų167142.6 Ų142.677%0.77379%0.79SS**  cis-129.5164.4-13.9-65.9-61.6000108.8
176S25Very low23.8Very low123 Ų123142.7 Ų142.786%0.8680%0.795SS**  trans-137.6160172.165.10000113.4
177K24Very low23.6Very low193 Ų193142.5 Ų142.584%0.83980%0.798SS**  trans-95135.7-174.7-70.6178.2177.6176.20112.8
178I21.6Very low23.7Very low158 Ų158143.5 Ų143.581%0.8180%0.804SS**  trans30.9110.2142.6-52.4168.3000117.1
179T22.4Very low23.5Very low140 Ų140142.2 Ų142.286%0.85980%0.802SS**  trans-159.6167.3140.6-3.30000109.8
180T20.7Very low23.7Very low118 Ų118144 Ų14472%0.72480%0.802SS**  trans-107.6163.8-164.7500000115.1
181T21.7Very low23.5Very low123 Ų123140.8 Ų140.876%0.75579%0.79SS**  trans70.3107.9149.141.40000121.8
182V22.8Very low23.5Very low122 Ų122141.1 Ų141.174%0.73979%0.787SS**  73.2100.5124.3-177.90000120.6
183N24.6Very low23.5Very low153 Ų153140.6 Ų140.682%0.81879%0.791SS**  trans72.1156.4136-71.23.8000122.7
184P32.7Very low23.4Very low123 Ų123136.8 Ų136.880%0.79978%0.784SS**  trans-121.2165-150.442-30000115.9
185S25.7Very low23.4Very low103 Ų103136.5 Ų136.572%0.7279%0.791SS**  trans-146.1119.5168.358.70000113.7
186T25Very low23.2Very low134 Ų134133.6 Ų133.682%0.82279%0.785SS**  trans51.2114.4145.6530000121.8
187I20Very low23.1Very low161 Ų161134.2 Ų134.283%0.82678%0.779SS**  trans-42.7139.8149.5-64.1152.3000113.1
188T23.6Very low23.4Very low136 Ų136132 Ų13283%0.83478%0.782SS**  -164.2141.5129.170000112.5
189V18.9Very low23.4Very low132 Ų132130.9 Ų130.980%0.878%0.777SS**  trans-101.9139.4161.3172.90000106.6
190N24.4Very low23.7Very low153 Ų153131.7 Ų131.782%0.81878%0.776SS**  trans-146.9155.5159.9-153.24.1000111.7
191T20.1Very low23.9Very low97 Ų97131.9 Ų131.960%0.59577%0.773SS**  trans-114166-175.6530000111.4
192N21.1Very low24Very low143 Ų143134 Ų13477%0.76577%0.774SS**  trans57.6117.2161.1-54.6-21.9000118
193T24.1Very low24Very low148 Ų148135.8 Ų135.891%0.90878%0.779SS**  -162.6152.5113.3100000114.2
194T20.2Very low23.9Very low113 Ų113135.7 Ų135.769%0.69378%0.777SS**  trans-73.3149.1-177.945.40000114.9
195C25.1Very low23.5Very low127 Ų127139.1 Ų139.186%0.85878%0.782SS**  trans-135.485.6147.3-73.70000107.1
196T24.5Very low23.3Very low106 Ų106142.3 Ų142.365%0.6579%0.786SS**  69.1107.18762.30000115.6
197N22.2Very low23.2Very low136 Ų136145.5 Ų145.573%0.72779%0.788SS**  trans57.3105.2142-58.80.4000120.9
198T29.5Very low23.5Very low147 Ų147143.4 Ų143.490%0.90279%0.785SS**  -127.5102.512552.70000109
199N22.7Very low23.3Very low133 Ų133144.6 Ų144.671%0.71179%0.786SS**  trans-83.4136.8168.9-74.7-7.5000109.4
200N27.9Very low23.5Very low157 Ų157149.3 Ų149.384%0.8479%0.789SS**  trans-169.696.6138.6-99.2-7.9000110.3
201D24.6Very low23.3Very low123 Ų123149.1 Ų149.166%0.65879%0.786SS**  trans22.8130.2141.2-78.3-80.4000123.3
202Q23.3Very low23.5Very low166 Ų166150.2 Ų150.278%0.77679%0.793SS**  95.7157.3124.6-7917349.800123
203L24.2Very low23.5Very low160 Ų160150 Ų15084%0.83879%0.792SS**  trans71.778.9172.2-68.6167.2000118.1
204I21.9Very low23.3Very low152 Ų152154.2 Ų154.278%0.77979%0.793SS**  trans-41.6130.5138.8-60.4157.5000110.6
205E24.9Very low23.6Very low194 Ų194154.4 Ų154.491%0.90780%0.799SS**  trans-144.2126.9136.5-147.1172.9-142.900109.9
206Q21.8Very low23.5Very low170 Ų170157.4 Ų157.479%0.79480%0.8SS**  trans-101.1154.1-179.7-73.2-173.7-12.700111P208Q206-P208 WeakPolarHBondContact O-CD 3.38Å
207K21.9Very low23.7Very low201 Ų201160.8 Ų160.887%0.87481%0.808SS**  trans-54.1145172.9-59.4171.2-178.7171.90111.4
208P26.2Very low24.3Very low118 Ų118160.2 Ų160.277%0.76681%0.806SS**  trans-109.6138.2134.132.6-30.4000111.2Q206Q206-P208 WeakPolarHBondContact O-CD 3.38Å
209L19Very low24.3Very low161 Ų161162.5 Ų162.584%0.84381%0.806SS**  trans-68.7142.5167.2-73154.7000109.6
210R23.8Very low25.3Very low230 Ų230161 Ų16187%0.86880%0.802SS**  trans-126.896165.1-153.7178.4-162175.27110.6V212R210-V212 HydrophobicContact CG-CG2 4.24Å
211I20.1Very low26.1Very low149 Ų149158 Ų15876%0.76479%0.79SS**  trans-73.3125167.5-60.5171.7000107.3
212V25.1Very low26.7Very low120 Ų120158.6 Ų158.673%0.72779%0.793SS**  trans-132.9129.3166.3-178.30000106.5R210R210-V212 HydrophobicContact CG-CG2 4.24Å
213N21.3Very low27.7Very low139 Ų139156.4 Ų156.474%0.74379%0.785SS**  trans-72160.2-174.1-75.4-20.8000112.6
214Y19.9Very low29.2Very low236 Ų236156 Ų15693%0.92578%0.777SS**  trans-55.2140.8176.7-69.9-95.2000113
215S25.6Very low30.5Very low117 Ų117155.5 Ų155.582%0.81877%0.771SS**  trans-127.4129.2149.654.50000108.4
216E23.4Very low32.2Very low190 Ų190149.3 Ų149.389%0.88875%0.75SS**  trans-77.1129.3178-58.9176.2116.300109.9
217E29Very low33.9Very low177 Ų177146.5 Ų146.583%0.82774%0.738SS**  trans176.3169.9141.9-102.3177.3-168.300111.4
218N34.1Very low35.9Very low125 Ų125140 Ų14067%0.66871%0.713SS**  trans76.245.1170.2-59.1-66.1000119T220N218-T220 VanDerWaalsContact C-N 3.3Å; N218-T220 PolarHBondContact O-N 3.16Å
219Q30.1Very low37.4Very low195 Ų195139.2 Ų139.291%0.91170%0.699SS**  trans-64.482.8153.5-71.4-173.1-1.400111.9
220T42.8Very low39.3Very low101 Ų101138.8 Ų138.862%0.6269%0.687SS**  trans-136.5-19.2173.748.60000118.4N218N218-T220 VanDerWaalsContact C-N 3.3Å; N218-T220 PolarHBondContact O-N 3.16Å
221P45.2Very low41.5Very low93 Ų93133 Ų13360%0.60467%0.668SS**SBendtrans-69.6-38.7178.8-23.834.7000115.4I223 K224P221-I223 VanDerWaalsContact C-N 3.31Å; P221-I223 PolarHBondContact O-N 2.75Å; P221-K224 WeakPolarHBondContact O-CB 3.38Å; P221-K224 PolarHBondContact O-N 3.48Å
222L36.5Very low43.3Very low137 Ų137133.5 Ų133.572%0.71766%0.66SS**Hα-helixtrans-62.4-28.4-168.4-90152.1000115K224 S226L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 2.74Å; L222-S226 PolarHBondContact O-N 3.3Å; L222-S226 PolarHBondContact O-OG 3.35Å
223I46.1Very low44.9Very low119 Ų119132.2 Ų132.261%0.6165%0.65SS**Hα-helixtrans-71.8-25.3177.4-61.5175.9000111.2P221 S226 M227P221-I223 VanDerWaalsContact C-N 3.31Å; P221-I223 PolarHBondContact O-N 2.75Å; I223-S226 PolarHBondContact O-OG 3.35Å; I223-M227 WeakPolarHBondContact O-CB 3.03Å; I223-M227 VanDerWaalsContact O-CG 3.29Å; I223-M227 WeakPolarHBondContact O-CG 3.21Å; I223-M227 PolarHBondContact O-N 3.24Å
224K55.1Low46.2Very low153 Ų153129.5 Ų129.567%0.66564%0.635SS**Hα-helixtrans-78-44.3-177.8-160.1175.1-178.4-176.80112P221 L222 M227 D228P221-K224 WeakPolarHBondContact O-CB 3.38Å; P221-K224 PolarHBondContact O-N 3.48Å; L222-K224 VanDerWaalsContact C-N 3.28Å; L222-K224 PolarHBondContact O-N 2.74Å; K224-M227 PolarHBondContact O-N 3.37Å; K224-D228 PolarHBondContact O-N 3.03Å
225Q49.4Very low47.7Very low140 Ų140123.3 Ų123.365%0.65462%0.618SS**Hα-helixtrans-60.9-49.2175.8-78.3177.7-37.500111.7M227 D228 E229Q225-M227 VanDerWaalsContact C-N 3.33Å; Q225-M227 PolarHBondContact O-N 2.74Å; Q225-D228 PolarHBondContact O-N 3.21Å; Q225-E229 WeakPolarHBondContact O-CB 3.41Å; Q225-E229 PolarHBondContact O-N 3.12Å
226S60.2Low48.1Very low65 Ų65124.7 Ų124.746%0.45561%0.613SS.*Hα-helixtrans-61.5-36.6178.550.50000113.2L222 I223 Y230L222-S226 PolarHBondContact O-N 3.3Å; L222-S226 PolarHBondContact O-OG 3.35Å; I223-S226 PolarHBondContact O-OG 3.35Å; S226-Y230 VanDerWaalsContact O-CB 3.3Å; S226-Y230 WeakPolarHBondContact O-CB 3.38Å; S226-Y230 PolarHBondContact O-N 3.01Å
227M56.9Low48.8Very low110 Ų110121.9 Ų121.954%0.54260%0.603SS.*Hα-helixtrans-68.4-37.3174-82.3-74.3172.800113.8I223 K224 Q225 K231I223-M227 WeakPolarHBondContact O-CB 3.03Å; I223-M227 VanDerWaalsContact O-CG 3.29Å; I223-M227 WeakPolarHBondContact O-CG 3.21Å; I223-M227 PolarHBondContact O-N 3.24Å; K224-M227 PolarHBondContact O-N 3.37Å; Q225-M227 VanDerWaalsContact C-N 3.33Å; Q225-M227 PolarHBondContact O-N 2.74Å; M227-K231 WeakPolarHBondContact O-CG 3.28Å; M227-K231 PolarHBondContact O-N 3.27Å
228D65Low49.2Very low65 Ų65118.9 Ų118.935%0.34859%0.593SS.*Hα-helixtrans-77.4-31177.7-72.5-30.5000112.1K224 Q225 K231 R232K224-D228 PolarHBondContact O-N 3.03Å; Q225-D228 PolarHBondContact O-N 3.21Å; D228-K231 WeakPolarHBondContact O-CB 3.43Å; D228-K231 PolarHBondContact O-N 3.46Å; D228-K231 IonicContact OD1-NZ 2.73Å; D228-K231 PolarHBondContact OD1-NZ 2.93Å; D228-R232 PolarHBondContact O-N 3.23Å; D228-R232 VanDerWaalsContact O-N 3.15Å
229E57.8Low49.1Very low102 Ų102119.9 Ų119.948%0.47760%0.597SS.*Hα-helixtrans-67.7-42.6170.3-170.6151.9-104.700112.3Q225 K231 R232 N233Q225-E229 WeakPolarHBondContact O-CB 3.41Å; Q225-E229 PolarHBondContact O-N 3.12Å; E229-K231 VanDerWaalsContact C-N 3.27Å; E229-K231 PolarHBondContact O-N 3.06Å; E229-R232 WeakPolarHBondContact O-CB 3.47Å; E229-R232 PolarHBondContact O-N 3.18Å; E229-R232 VanDerWaalsContact O-N 3.1Å; E229-R232 IonicContact OE1-NH1 3.34Å; E229-N233 PolarHBondContact O-N 3.46Å
230Y58.6Low49.2Very low151 Ų151115.5 Ų115.559%0.59259%0.588SS**Hα-helixtrans-57.4-39171.6-172.1-97.3000112S226 N233 L234S226-Y230 VanDerWaalsContact O-CB 3.3Å; S226-Y230 WeakPolarHBondContact O-CB 3.38Å; S226-Y230 PolarHBondContact O-N 3.01Å; Y230-N233 PolarHBondContact O-N 2.85Å; Y230-L234 HydrophobicContact CE1-CD1 4.18Å; Y230-L234 WeakPolarHBondContact O-CB 3.36Å; Y230-L234 PolarHBondContact O-N 3.48Å
231K68.7Low48.4Very low110 Ų110115.5 Ų115.548%0.47859%0.593SS.*Hα-helixtrans-64.7-40.1174-69.4166.8-158.7162.60112.9M227 D228 E229 L234 N235M227-K231 WeakPolarHBondContact O-CG 3.28Å; M227-K231 PolarHBondContact O-N 3.27Å; D228-K231 WeakPolarHBondContact O-CB 3.43Å; D228-K231 PolarHBondContact O-N 3.46Å; D228-K231 IonicContact OD1-NZ 2.73Å; D228-K231 PolarHBondContact OD1-NZ 2.93Å; E229-K231 VanDerWaalsContact C-N 3.27Å; E229-K231 PolarHBondContact O-N 3.06Å; K231-L234 PolarHBondContact O-N 3.21Å; K231-N235 PolarHBondContact O-N 3.02Å
232R59.6Low47.4Very low158 Ų158118.3 Ų118.360%0.59660%0.602SS**Hα-helixtrans-60.9-49174.9-65.6-179-159.2140.11.4110.6D228 E229 L234 N235 M236D228-R232 PolarHBondContact O-N 3.23Å; D228-R232 VanDerWaalsContact O-N 3.15Å; E229-R232 WeakPolarHBondContact O-CB 3.47Å; E229-R232 PolarHBondContact O-N 3.18Å; E229-R232 VanDerWaalsContact O-N 3.1Å; E229-R232 IonicContact OE1-NH1 3.34Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 3.35Å; R232-N235 PolarHBondContact O-N 3.18Å; R232-N235 VanDerWaalsContact O-N 3.12Å; R232-M236 PolarHBondContact O-N 3.19Å
233N58.4Low47Very low94 Ų94120.6 Ų120.650%0.50361%0.612SS.*Hα-helixtrans-62-40179.6-69-21.7000111.9E229 Y230 N235 M236 L237E229-N233 PolarHBondContact O-N 3.46Å; Y230-N233 PolarHBondContact O-N 2.85Å; N233-N235 VanDerWaalsContact C-N 3.33Å; N233-N235 PolarHBondContact O-N 2.94Å; N233-M236 PolarHBondContact O-N 3.22Å; N233-L237 WeakPolarHBondContact O-CG 3.35Å; N233-L237 PolarHBondContact O-N 3.47Å; N233-L237 VanDerWaalsContact O-N 3.13Å
234L49Very low46.2Very low82 Ų82121 Ų12143%0.42962%0.619SS.*Hα-helixtrans-66.5-32175.4-14379.7000113.1Y230 K231 R232 N238Y230-L234 HydrophobicContact CE1-CD1 4.18Å; Y230-L234 WeakPolarHBondContact O-CB 3.36Å; Y230-L234 PolarHBondContact O-N 3.48Å; K231-L234 PolarHBondContact O-N 3.21Å; R232-L234 VanDerWaalsContact C-N 3.33Å; R232-L234 PolarHBondContact O-N 3.35Å; L234-N238 PolarHBondContact O-ND2 3.42Å
235N50.3Low44.7Very low106 Ų106122.1 Ų122.157%0.56762%0.624SS**Hα-helixtrans-73.8-43.7175.7-77.2-16.6000112K231 R232 N233 L237 N238 L239K231-N235 PolarHBondContact O-N 3.02Å; R232-N235 PolarHBondContact O-N 3.18Å; R232-N235 VanDerWaalsContact O-N 3.12Å; N233-N235 VanDerWaalsContact C-N 3.33Å; N233-N235 PolarHBondContact O-N 2.94Å; N235-L237 VanDerWaalsContact C-N 3.28Å; N235-L237 PolarHBondContact O-N 2.98Å; N235-N238 PolarHBondContact O-N 3.49Å; N235-L239 WeakPolarHBondContact O-CD1 3.48Å
236M35Very low43.6Very low146 Ų146122.4 Ų122.472%0.71963%0.63SS**Hα-helixtrans-57.4-41.4175.2-70.5-61.4-71.100111.8R232 N233 N238R232-M236 PolarHBondContact O-N 3.19Å; N233-M236 PolarHBondContact O-N 3.22Å; M236-N238 PolarHBondContact O-N 3.17Å
237L37.7Very low42Very low131 Ų131128.3 Ų128.369%0.68665%0.648SS**Hα-helixtrans-69.2-6.9176.5-72.1169.7000114.8N233 N235N233-L237 WeakPolarHBondContact O-CG 3.35Å; N233-L237 PolarHBondContact O-N 3.47Å; N233-L237 VanDerWaalsContact O-N 3.13Å; N235-L237 VanDerWaalsContact C-N 3.28Å; N235-L237 PolarHBondContact O-N 2.98Å
238N36.3Very low40.4Very low114 Ų114130 Ų13061%0.6165%0.654SS**Hα-helixtrans-105.4-10.5179.8-88.1-79.5000114.9L234 N235 M236L234-N238 PolarHBondContact O-ND2 3.42Å; N235-N238 PolarHBondContact O-N 3.49Å; M236-N238 PolarHBondContact O-N 3.17Å
239L33.2Very low38.5Very low145 Ų145131.8 Ų131.876%0.75967%0.667SS**Hα-helixtrans-89.5-25.9179.2-89.279.9000114.1N235 S241N235-L239 WeakPolarHBondContact O-CD1 3.48Å; L239-S241 PolarHBondContact O-N 3.36Å
240S32.7Very low36.9Very low104 Ų104133.2 Ų133.273%0.72768%0.679SS**THydrogen-bonded Turntrans-75.417.3-172.456.60000116
241S25.6Very low35.3Very low101 Ų101133.4 Ų133.471%0.70669%0.685SS**THydrogen-bonded Turntrans-117.615.8-168.7-135.40000115.6L239L239-S241 PolarHBondContact O-N 3.36Å
242N24.5Very low33.2Very low151 Ų151133.5 Ų133.581%0.80769%0.689SS**  trans-143.383.2177.1-74.8-59.8000113.3
243M27.8Very low31.7Very low186 Ų186133.5 Ų133.592%0.91670%0.696SS**  trans-146.7137148.2-85.6-141.9164.400113.5
244V28.7Very low29.9Very low126 Ų126136 Ų13676%0.76471%0.705SS**  trans0.6127.7148.1-174.90000116.2
245K23.5Very low28.8Very low177 Ų177139 Ų13977%0.7772%0.721SS**  cis69.990.942.3-76.5-164.9170.6-171.10117.2
246N26.4Very low27.6Very low146 Ų146142.1 Ų142.178%0.78173%0.732SS**  159.9141.5112.1-83.3-15.5000113.9
247K26.8Very low27.1Very low189 Ų189139.7 Ų139.782%0.82273%0.73SS**  trans57.9169.4151.9-74.1-163.6164.9-166.10119.8
248Q22.8Very low26.7Very low147 Ų147142.6 Ų142.669%0.68774%0.739SS**  -176.8151.1-53.1-135.6178.5-45.400108.6
249T25.3Very low26Very low101 Ų101141.3 Ų141.362%0.6274%0.739SS**  trans63.1151.4157.461.80000119.5
250D24.2Very low25.7Very low133 Ų133140.8 Ų140.871%0.71174%0.737SS**  cis178.1161.4-25.1-86.5-21.4000105.9
251E24.9Very low25.4Very low154 Ų154141.2 Ų141.272%0.7274%0.74SS**  cis-161.3164-7.1-121.8-167.8141.700111.3
252I24.9Very low25.7Very low112 Ų112145.2 Ų145.257%0.57475%0.748SS**  trans64.3116148.1-59158.4000123.1
253H27.8Very low26.1Very low158 Ų158145.5 Ų145.573%0.73175%0.748SS**  173.3127.4121.2-93.5-71.9000107.5
254Q21.5Very low26.3Very low148 Ų148143.5 Ų143.569%0.69274%0.741SS**  61.5114.272.3-70.9-174.3-62.300112.2
255D25.8Very low26.6Very low143 Ų143144.6 Ų144.677%0.76574%0.742SS**  -159.2171.461.1-93.5-35.8000118.1
256E24.5Very low27.3Very low172 Ų172141.1 Ų141.180%0.80474%0.74SS**  trans42.5122.2157.2-60.8-164144.400126
257S24.1Very low27.9Very low96 Ų96138 Ų13867%0.67173%0.727SS**  trans13.6131.5149.8580000123.8
258H28.6Very low28.5Very low192 Ų192136.6 Ų136.689%0.88972%0.723SS**  -150.4177.8115.6-107.7-70.5000110.9
259S23.4Very low29.4Very low87 Ų87134.8 Ų134.861%0.60873%0.727SS**  trans-104.9-178.3-15751.60000115.9
260D25.2Very low30.2Very low134 Ų134135 Ų13572%0.71772%0.723SS**  trans79.289.9155.1-51.2-46.8000120.3
261S27.2Very low30.8Very low112 Ų112132.9 Ų132.978%0.78371%0.711SS**  42.3106.7129.861.90000120.5
262E31.9Very low31.6Very low186 Ų186135.7 Ų135.787%0.86972%0.716SS**  trans-148.2159.7138.9-128.9178-154.500114.7
263L33.2Very low32.3Very low156 Ų156139.3 Ų139.382%0.81773%0.727SS**  trans-57.5138.2-159.7-65.9154.8000117.1
264N31.1Very low32.5Very low145 Ų145136 Ų13678%0.77571%0.714SS**  trans-83.7123.9172.9-89.8-95.7000112.8
265L34.7Very low33.3Very low148 Ų148138.6 Ų138.678%0.77572%0.718SS**  trans-109.2129.9164.9-86.783.6000113
266S38.2Very low33.8Very low105 Ų105136 Ų13673%0.73472%0.717SS**  trans6458156.270.20000119.5E268S266-E268 VanDerWaalsContact C-N 3.31Å; S266-E268 PolarHBondContact O-N 3.49Å
267T40.8Very low34.3Very low81 Ų81135.5 Ų135.550%0.49772%0.715SS.*THydrogen-bonded Turntrans-72.6-4.2-180540000116.7N271T267-N271 WeakPolarHBondContact O-CB 3.41Å; T267-N271 PolarHBondContact O-N 3.13Å; T267-N271 PolarHBondContact O-ND2 2.96Å
268E37.6Very low35.6Very low158 Ų158134.9 Ų134.974%0.73871%0.706SS**THydrogen-bonded Turntrans-75.7-31.8-172.9-92.6-153.7119.300115.8S266S266-E268 VanDerWaalsContact C-N 3.31Å; S266-E268 PolarHBondContact O-N 3.49Å
269S42Very low36.7Very low110 Ų110134.1 Ų134.177%0.76970%0.701SS**THydrogen-bonded Turntrans-74.3-34.3-178-74.10000113
270I43.1Very low38.7Very low106 Ų106132.7 Ų132.754%0.54469%0.686SS.*G310 helixtrans-79-36.3-178.5-63.8174.8000111.1R272 K273 N274I270-R272 PolarHBondContact O-N 3.32Å; I270-K273 PolarHBondContact O-N 3.28Å; I270-N274 PolarHBondContact O-N 3.43Å
271N37.1Very low40.7Very low87 Ų87133 Ų13347%0.46568%0.683SS.*G310 helixtrans-66-4.8-177.4-88.1-52.4000115.7T267T267-N271 WeakPolarHBondContact O-CB 3.41Å; T267-N271 PolarHBondContact O-N 3.13Å; T267-N271 PolarHBondContact O-ND2 2.96Å
272R40Very low43.1Very low214 Ų214129.6 Ų129.681%0.80866%0.658SS**G310 helixtrans-84-16.3168.6-63.9-168-172.4-1725.8114.1I270I270-R272 PolarHBondContact O-N 3.32Å
273K41.2Very low45.3Very low188 Ų188127.1 Ų127.182%0.81764%0.642SS**THydrogen-bonded Turntrans-102.3-43.7173.1-71.2-174177.5177.20112.1I270 R275I270-K273 PolarHBondContact O-N 3.28Å; K273-R275 PolarHBondContact O-N 3.07Å
274N30.6Very low47.5Very low87 Ų87121.4 Ų121.447%0.46562%0.616SS.*G310 helixtrans-77.39.5-172.4-62.823.6000114.4I270 A276 E277I270-N274 PolarHBondContact O-N 3.43Å; N274-A276 PolarHBondContact O-N 3.02Å; N274-E277 PolarHBondContact O-N 3.3Å; N274-E277 VanDerWaalsContact O-N 3.13Å
275R38.1Very low49.5Very low203 Ų203120.4 Ų120.477%0.76661%0.61SS**G310 helixtrans-62.4-12.7-178.9-171.9168.9-178162.26.4114.2K273K273-R275 PolarHBondContact O-N 3.07Å
276A37Very low51.4Low90 Ų90121 Ų12174%0.74460%0.602SS**G310 helixtrans-84.4-27.1175.800000114N274N274-A276 PolarHBondContact O-N 3.02Å
277E36Very low53.5Low161 Ų161118.7 Ų118.775%0.75260%0.596SS**  trans-127.417.9-156.8-72.117817500115.1N274 K279N274-E277 PolarHBondContact O-N 3.3Å; N274-E277 VanDerWaalsContact O-N 3.13Å; E277-K279 VanDerWaalsContact C-N 3.34Å; E277-K279 PolarHBondContact O-N 2.87Å
278V49.5Very low55.3Low83 Ų83123.2 Ų123.250%0.50362%0.617SS.*  trans-66.895.6166.9-174.50000108.8I280 R305V278-I280 HydrophobicContact CG1-CG1 3.87Å; V278-I280 PolarHBondContact O-N 2.95Å; V278-R305 PolarHBondContact O-NH2 3.11Å
279K51.8Low57.3Low176 Ų176120 Ų12077%0.76560%0.603SS**  trans-6968174.9-68.8-175.8179.5179.10110.9E277 Q281E277-K279 VanDerWaalsContact C-N 3.34Å; E277-K279 PolarHBondContact O-N 2.87Å; K279-Q281 PolarHBondContact O-N 2.82Å
280I65.7Low59.2Low57 Ų57119.6 Ų119.629%0.29259%0.59SS.*  trans-62.8108.7166.9-47.7176.6000107.5V278 F292 R305 L308 L312V278-I280 HydrophobicContact CG1-CG1 3.87Å; V278-I280 PolarHBondContact O-N 2.95Å; I280-F292 HydrophobicContact CG2-CD1 4.25Å; I280-R305 PolarHBondContact O-NH1 3.36Å; I280-L308 HydrophobicContact CD1-CD2 3.87Å; I280-L308 HydrophobicContact CG2-CD2 3.73Å; I280-L312 HydrophobicContact CD1-CD1 4.29Å
281Q67.8Low61.2Low141 Ų141114.9 Ų114.966%0.65957%0.566SS**  trans-75.5155.4174.4-61.6-66.920.500110.6K279K279-Q281 PolarHBondContact O-N 2.82Å
282P77.1Confident63.6Low40 Ų40111 Ų11126%0.2655%0.545SS..  trans-60.6146.2160.628.9-34.5000109.6E290 F292P282-E290 HydrophobicContact CB-CB 3.99Å; P282-E290 HydrophobicContact CB-CG 4.17Å; P282-E290 HydrophobicContact CG-CG 4.26Å; P282-F292 HydrophobicContact CB-CE1 4.32Å; P282-F292 HydrophobicContact CB-CZ 4.31Å
283Y78.1Confident65.7Low134 Ų134106 Ų10653%0.52553%0.526SS..SBendtrans-87.5-28.4176.4109.6-91.1000111.5V291 R293Y283-V291 HydrophobicContact CD1-CB 4.41Å; Y283-V291 HydrophobicContact CD1-CG1 4.23Å; Y283-V291 WeakPolarHBondContact CD1-O 3.47Å; Y283-V291 HydrophobicContact CE1-CB 4.32Å; Y283-V291 HydrophobicContact CE1-CG1 3.88Å; Y283-V291 PolarHBondContact N-O 3.05Å; Y283-R293 HydrophobicContact CD1-CB 3.72Å; Y283-R293 HydrophobicContact CE1-CB 4.27Å; Y283-R293 HydrophobicContact CG-CB 3.95Å
284A79.6Confident67.8Low35 Ų3597.1 Ų97.129%0.28949%0.487SS..EExtended strand (participates in β ladder)trans-151.2157.7177.100000110.7V291A284-V291 PolarHBondContact N-O 3.21Å; A284-V291 PolarHBondContact O-N 2.84Å
285L74.3Confident70.1Confident124 Ų12498 Ų9865%0.64950%0.498SS*.EExtended strand (participates in β ladder)trans-108122.6168-72.8169000108.6E290L285-E290 HydrophobicContact CD2-CG 4.13Å
286R74.4Confident71.9Confident160 Ų16092.8 Ų92.860%0.60449%0.485SS*.SBendtrans-105.280.8174.8-165.8175.4-172.6173.13.7108.9I289 V291 E301R286-I289 PolarHBondContact N-O 3.27Å; R286-V291 HydrophobicContact CB-CG2 3.79Å; R286-E301 IonicContact CZ-OE1 2.69Å; R286-E301 IonicContact NH1-OE1 3.89Å; R286-E301 PolarHBondContact NH1-OE1 3.27Å
287G81.2Confident74Confident58 Ų5891 Ų9160%0.59847%0.466SS*.SBendtrans62.8-142.2-158.500000110I289G287-I289 PolarHBondContact O-N 3.13Å
288N78.7Confident75.5Confident176 Ų17685.9 Ų85.994%0.94145%0.448SS*.SBendtrans-76.425.4-176.8-58.27.6000113.9
289I79.6Confident76.3Confident89 Ų8988.2 Ų88.246%0.45645%0.451SS..  trans-122.3118.1-177.1-56.5179.5000109.8R286 G287 V291 F303R286-I289 PolarHBondContact N-O 3.27Å; G287-I289 PolarHBondContact O-N 3.13Å; I289-V291 PolarHBondContact O-N 3.05Å; I289-F303 HydrophobicContact CG2-CB 4.26Å; I289-F303 HydrophobicContact CG2-CD1 4.04Å
290E83.3Confident76.7Confident102 Ų10283.1 Ų83.148%0.47743%0.432SS..EExtended strand (participates in β ladder)trans-63.2116.1169.2-68.9179.8171.900111.3P282 L285 F292P282-E290 HydrophobicContact CB-CB 3.99Å; P282-E290 HydrophobicContact CB-CG 4.17Å; P282-E290 HydrophobicContact CG-CG 4.26Å; L285-E290 HydrophobicContact CD2-CG 4.13Å; E290-F292 HydrophobicContact CB-CD2 4.41Å; E290-F292 HydrophobicContact CB-CE2 3.57Å; E290-F292 HydrophobicContact CB-CZ 4.03Å; E290-F292 VanDerWaalsContact OE2-CZ 3.29Å; E290-F292 WeakPolarHBondContact OE2-CZ 3.3Å
291V84.7Confident77.1Confident8 Ų886 Ų865%0.04844%0.444CS..EExtended strand (participates in β ladder)trans-101.8125.3174.1-168.50000109.4Y283 A284 R286 I289 D300 F303Y283-V291 HydrophobicContact CD1-CB 4.41Å; Y283-V291 HydrophobicContact CD1-CG1 4.23Å; Y283-V291 WeakPolarHBondContact CD1-O 3.47Å; Y283-V291 HydrophobicContact CE1-CB 4.32Å; Y283-V291 HydrophobicContact CE1-CG1 3.88Å; Y283-V291 PolarHBondContact N-O 3.05Å; A284-V291 PolarHBondContact N-O 3.21Å; A284-V291 PolarHBondContact O-N 2.84Å; R286-V291 HydrophobicContact CB-CG2 3.79Å; I289-V291 PolarHBondContact O-N 3.05Å; V291-D300 WeakPolarHBondContact CG1-O 3.41Å; V291-F303 HydrophobicContact CG2-CD1 4.1Å; V291-F303 HydrophobicContact CG2-CE1 4.13Å
292F88.1Confident77.5Confident4 Ų480 Ų802%0.01842%0.417CS..BIsolated β-bridgetrans-107129.8177.6-62.6-93000110.2I280 P282 E290 I302 R305 L308I280-F292 HydrophobicContact CG2-CD1 4.25Å; P282-F292 HydrophobicContact CB-CE1 4.32Å; P282-F292 HydrophobicContact CB-CZ 4.31Å; E290-F292 HydrophobicContact CB-CD2 4.41Å; E290-F292 HydrophobicContact CB-CE2 3.57Å; E290-F292 HydrophobicContact CB-CZ 4.03Å; E290-F292 VanDerWaalsContact OE2-CZ 3.29Å; E290-F292 WeakPolarHBondContact OE2-CZ 3.3Å; F292-I302 HydrophobicContact CB-CB 4.47Å; F292-I302 PolarHBondContact N-O 2.76Å; F292-I302 VanDerWaalsContact O-CB 3.22Å; F292-I302 WeakPolarHBondContact O-CB 3.42Å; F292-I302 PolarHBondContact O-N 3.45Å; F292-R305 HydrophobicContact CE1-CB 4.32Å; F292-R305 HydrophobicContact CE2-CB 4.08Å; F292-R305 HydrophobicContact CZ-CB 3.85Å; F292-L308 HydrophobicContact CB-CB 4.2Å; F292-L308 HydrophobicContact CB-CD1 4.28Å; F292-L308 HydrophobicContact CB-CD2 4.02Å; F292-L308 HydrophobicContact CB-CG 4.38Å; F292-L308 HydrophobicContact CD1-CD2 4.06Å; F292-L308 HydrophobicContact CG-CD2 4.28Å
293R83.1Confident77.5Confident111 Ų11182.5 Ų82.542%0.41942%0.424SS..  trans-91.1140.6169.6-177.9169.5169.4145.8-14.9109.7Y283 P295 S298 D300Y283-R293 HydrophobicContact CD1-CB 3.72Å; Y283-R293 HydrophobicContact CE1-CB 4.27Å; Y283-R293 HydrophobicContact CG-CB 3.95Å; R293-P295 WeakPolarHBondContact O-CD 3.38Å; R293-S298 PolarHBondContact NE-OG 3.22Å; R293-S298 VanDerWaalsContact NH2-CB 3.31Å; R293-S298 PolarHBondContact NH2-OG 2.93Å; R293-D300 WeakPolarHBondContact CD-OD1 3.41Å; R293-D300 IonicContact CZ-OD1 3.85Å; R293-D300 IonicContact NE-OD1 2.96Å; R293-D300 IonicContact NH1-OD1 3.29Å; R293-D300 PolarHBondContact NH1-OD1 3.18Å
294C85.8Confident77.7Confident0 Ų078.1 Ų78.10%041%0.413CS..  trans-83121.5174.3-176.10000111.5L296 C297 S298 K299 I302 L308 H311C294-L296 PolarHBondContact O-N 3.38Å; C294-L296 VanDerWaalsContact O-N 3.15Å; C294-L296 PolarHBondContact SG-N 2.82Å; C294-L296 VanDerWaalsContact SG-N 3.42Å; C294-C297 PolarHBondContact O-N 3.05Å; C294-S298 WeakPolarHBondContact O-CA 3.49Å; C294-S298 PolarHBondContact O-N 3.04Å; C294-K299 PolarHBondContact N-O 3.3Å; C294-I302 HydrophobicContact CB-CD1 3.88Å; C294-L308 HydrophobicContact CB-CD1 4.26Å; C294-H311 VanDerWaalsContact CB-CD2 3.49Å; C294-H311 WeakPolarHBondContact CB-CD2 3.26Å; C294-H311 VanDerWaalsContact CB-NE2 3.31Å; C294-H311 WeakPolarHBondContact CB-NE2 3.44Å; C294-H311 PolarHBondContact SG-CD2 3.16Å; C294-H311 PolarHBondContact SG-NE2 2.98Å
295P78.7Confident77.9Confident105 Ų10581.4 Ų81.468%0.68242%0.418SS*.THydrogen-bonded Turntrans-67.9-11.7177.628.1-35.6000114R293R293-P295 WeakPolarHBondContact O-CD 3.38Å
296L75Confident78.5Confident95 Ų9577.4 Ų77.450%0.49741%0.407SS..THydrogen-bonded Turntrans-103-6.5-176.4-59.6179.6000114.6C294 L312 H315C294-L296 PolarHBondContact O-N 3.38Å; C294-L296 VanDerWaalsContact O-N 3.15Å; C294-L296 PolarHBondContact SG-N 2.82Å; C294-L296 VanDerWaalsContact SG-N 3.42Å; L296-L312 HydrophobicContact CD1-CD2 3.92Å; L296-L312 HydrophobicContact CG-CD2 4.27Å; L296-H315 VanDerWaalsContact C-CE1 3.46Å; L296-H315 VanDerWaalsContact CB-CE1 3.47Å; L296-H315 WeakPolarHBondContact CB-CE1 3.26Å; L296-H315 HydrophobicContact CD1-CB 3.84Å; L296-H315 PolarHBondContact O-CE1 2.83Å
297C81.1Confident79Confident51 Ų5175.3 Ų75.335%0.34540%0.404SS..THydrogen-bonded Turntrans-149.33.1171.163.70000115.3C294 K299 H311 H315C294-C297 PolarHBondContact O-N 3.05Å; C297-K299 PolarHBondContact O-N 3.35Å; C297-K299 VanDerWaalsContact O-N 3.07Å; C297-H311 VanDerWaalsContact SG-CE1 3.56Å; C297-H311 PolarHBondContact SG-NE2 3.22Å; C297-H315 PolarHBondContact SG-NE2 2.96Å
298S67.8Low79.3Confident54 Ų5472.6 Ų72.638%0.37838%0.375SS..  trans50.730.6-177.1-69.80000114.8R293 C294 D300R293-S298 PolarHBondContact NE-OG 3.22Å; R293-S298 VanDerWaalsContact NH2-CB 3.31Å; R293-S298 PolarHBondContact NH2-OG 2.93Å; C294-S298 WeakPolarHBondContact O-CA 3.49Å; C294-S298 PolarHBondContact O-N 3.04Å; S298-D300 PolarHBondContact O-N 3.43Å
299K66.8Low79.5Confident133 Ų13367.9 Ų67.958%0.57835%0.353SS*.  trans-70.7117.4166.4-74.7-176.9-179.2-170.10109C294 C297C294-K299 PolarHBondContact N-O 3.3Å; C297-K299 PolarHBondContact O-N 3.35Å; C297-K299 VanDerWaalsContact O-N 3.07Å
300D59.4Low79.6Confident68 Ų6868.7 Ų68.736%0.36436%0.358SS..  trans-80.1-19.9-167-63.7-60.2000114.9V291 R293 S298V291-D300 WeakPolarHBondContact CG1-O 3.41Å; R293-D300 WeakPolarHBondContact CD-OD1 3.41Å; R293-D300 IonicContact CZ-OD1 3.85Å; R293-D300 IonicContact NE-OD1 2.96Å; R293-D300 IonicContact NH1-OD1 3.29Å; R293-D300 PolarHBondContact NH1-OD1 3.18Å; S298-D300 PolarHBondContact O-N 3.43Å
301E74.3Confident79.6Confident117 Ų11765.7 Ų65.755%0.54734%0.344SS..  trans-113.882.2-173.6-68.8-161.5148.800112.8R286 F303R286-E301 IonicContact CZ-OE1 2.69Å; R286-E301 IonicContact NH1-OE1 3.89Å; R286-E301 PolarHBondContact NH1-OE1 3.27Å; E301-F303 HydrophobicContact CB-CE2 3.74Å; E301-F303 HydrophobicContact CB-CZ 3.75Å; E301-F303 HydrophobicContact CG-CE2 4.35Å; E301-F303 HydrophobicContact CG-CZ 3.88Å
302I77.2Confident79.4Confident16 Ų1667 Ų678%0.08235%0.351CS..BIsolated β-bridgetrans-120.693.2169.4-47.1177.2000110.2F292 C294 S304 H307 L308 H311F292-I302 HydrophobicContact CB-CB 4.47Å; F292-I302 PolarHBondContact N-O 2.76Å; F292-I302 VanDerWaalsContact O-CB 3.22Å; F292-I302 WeakPolarHBondContact O-CB 3.42Å; F292-I302 PolarHBondContact O-N 3.45Å; C294-I302 HydrophobicContact CB-CD1 3.88Å; I302-S304 PolarHBondContact O-N 3.42Å; I302-H307 HydrophobicContact CG2-CB 3.52Å; I302-L308 HydrophobicContact CD1-CD1 3.82Å; I302-L308 HydrophobicContact CG2-CB 4.14Å; I302-L308 VanDerWaalsContact CG2-N 3.34Å; I302-H311 HydrophobicContact CD1-CB 4.33Å; I302-H311 WeakPolarHBondContact CD1-CD2 3.38Å
303F77Confident79.1Confident92 Ų9271.1 Ų71.140%0.40437%0.37SS..  trans-75.320.7-169.8-56.5-75.6000116.6I289 V291 E301I289-F303 HydrophobicContact CG2-CB 4.26Å; I289-F303 HydrophobicContact CG2-CD1 4.04Å; V291-F303 HydrophobicContact CG2-CD1 4.1Å; V291-F303 HydrophobicContact CG2-CE1 4.13Å; E301-F303 HydrophobicContact CB-CE2 3.74Å; E301-F303 HydrophobicContact CB-CZ 3.75Å; E301-F303 HydrophobicContact CG-CE2 4.35Å; E301-F303 HydrophobicContact CG-CZ 3.88Å
304S82.4Confident78.7Confident43 Ų4369.5 Ų69.530%0.30137%0.37SS..SBendtrans-167.2154.7157.577.40000112.9I302 G306 H307 L308I302-S304 PolarHBondContact O-N 3.42Å; S304-G306 PolarHBondContact O-N 3.37Å; S304-G306 VanDerWaalsContact O-N 3.12Å; S304-G306 PolarHBondContact OG-N 3.29Å; S304-H307 PolarHBondContact O-N 3.47Å; S304-H307 PolarHBondContact OG-N 3.22Å; S304-H307 PolarHBondContact OG-ND1 3.4Å; S304-L308 PolarHBondContact O-N 3.21Å
305R83.9Confident78.3Confident103 Ų10370.7 Ų70.739%0.38938%0.375SS..Hα-helixtrans-51.4-32.9171-170.3179.8179.787.91.8113.3V278 I280 F292 T309V278-R305 PolarHBondContact O-NH2 3.11Å; I280-R305 PolarHBondContact O-NH1 3.36Å; F292-R305 HydrophobicContact CE1-CB 4.32Å; F292-R305 HydrophobicContact CE2-CB 4.08Å; F292-R305 HydrophobicContact CZ-CB 3.85Å; R305-T309 WeakPolarHBondContact O-CB 3.44Å; R305-T309 PolarHBondContact O-N 3.48Å; R305-T309 PolarHBondContact O-OG1 3.17Å
306G85.9Confident77.5Confident40 Ų4071.2 Ų71.241%0.41237%0.368SS..Hα-helixtrans-69.9-42.9175.500000113.1S304 T309 N310S304-G306 PolarHBondContact O-N 3.37Å; S304-G306 VanDerWaalsContact O-N 3.12Å; S304-G306 PolarHBondContact OG-N 3.29Å; G306-T309 PolarHBondContact O-N 3.05Å; G306-N310 PolarHBondContact O-N 3.34Å; G306-N310 PolarHBondContact O-ND2 3.18Å
307H86Confident76.8Confident117 Ų11768.1 Ų68.154%0.54236%0.355SS..Hα-helixtrans-66.1-39.7172.5-69.9101.9000111.5I302 S304 T309 N310 H311I302-H307 HydrophobicContact CG2-CB 3.52Å; S304-H307 PolarHBondContact O-N 3.47Å; S304-H307 PolarHBondContact OG-N 3.22Å; S304-H307 PolarHBondContact OG-ND1 3.4Å; H307-T309 VanDerWaalsContact C-N 3.35Å; H307-T309 PolarHBondContact O-N 3.03Å; H307-N310 PolarHBondContact O-N 3.13Å; H307-H311 WeakPolarHBondContact O-CB 3.43Å; H307-H311 PolarHBondContact O-N 3.33Å
308L85.9Confident75.2Confident0 Ų069.6 Ų69.60%036%0.359CS..Hα-helixtrans-60.5-44.8174-176.774.5000111.2I280 F292 C294 I302 S304 N310 H311 L312I280-L308 HydrophobicContact CD1-CD2 3.87Å; I280-L308 HydrophobicContact CG2-CD2 3.73Å; F292-L308 HydrophobicContact CB-CB 4.2Å; F292-L308 HydrophobicContact CB-CD1 4.28Å; F292-L308 HydrophobicContact CB-CD2 4.02Å; F292-L308 HydrophobicContact CB-CG 4.38Å; F292-L308 HydrophobicContact CD1-CD2 4.06Å; F292-L308 HydrophobicContact CG-CD2 4.28Å; C294-L308 HydrophobicContact CB-CD1 4.26Å; I302-L308 HydrophobicContact CD1-CD1 3.82Å; I302-L308 HydrophobicContact CG2-CB 4.14Å; I302-L308 VanDerWaalsContact CG2-N 3.34Å; S304-L308 PolarHBondContact O-N 3.21Å; L308-N310 PolarHBondContact O-N 3.25Å; L308-H311 PolarHBondContact O-N 3.48Å; L308-L312 HydrophobicContact CD1-CD1 4.38Å; L308-L312 HydrophobicContact CD1-CG 4.35Å; L308-L312 HydrophobicContact CD2-CD1 4.23Å; L308-L312 HydrophobicContact CG-CD1 3.91Å; L308-L312 HydrophobicContact CG-CG 4.26Å; L308-L312 WeakPolarHBondContact O-CB 3.46Å; L308-L312 WeakPolarHBondContact O-CG 3.3Å; L308-L312 PolarHBondContact O-N 3.48Å
309T83.4Confident74.1Confident78 Ų7875 Ų7548%0.47938%0.376SS..Hα-helixtrans-61.2-44178.7-57.50000111.5R305 G306 H307 Q313R305-T309 WeakPolarHBondContact O-CB 3.44Å; R305-T309 PolarHBondContact O-N 3.48Å; R305-T309 PolarHBondContact O-OG1 3.17Å; G306-T309 PolarHBondContact O-N 3.05Å; H307-T309 VanDerWaalsContact C-N 3.35Å; H307-T309 PolarHBondContact O-N 3.03Å; T309-Q313 WeakPolarHBondContact O-CB 3.44Å; T309-Q313 PolarHBondContact O-N 3.47Å
310N81.7Confident73.1Confident106 Ų10676.2 Ų76.257%0.56738%0.381SS*.Hα-helixtrans-65.1-39.4175-71.2-28.2000112.1G306 H307 L308 Q313 D314G306-N310 PolarHBondContact O-N 3.34Å; G306-N310 PolarHBondContact O-ND2 3.18Å; H307-N310 PolarHBondContact O-N 3.13Å; L308-N310 PolarHBondContact O-N 3.25Å; N310-Q313 CarbonylContact O-C 3.55Å; N310-Q313 WeakPolarHBondContact O-CB 3.16Å; N310-Q313 PolarHBondContact O-N 3.29Å; N310-D314 PolarHBondContact O-N 3.49Å
311H83.9Confident72.2Confident39 Ų3979 Ų7918%0.18139%0.387CS..Hα-helixtrans-70.4-39.4179.8173.962.7000112.9C294 C297 I302 H307 L308 Q313 D314 H315C294-H311 VanDerWaalsContact CB-CD2 3.49Å; C294-H311 WeakPolarHBondContact CB-CD2 3.26Å; C294-H311 VanDerWaalsContact CB-NE2 3.31Å; C294-H311 WeakPolarHBondContact CB-NE2 3.44Å; C294-H311 PolarHBondContact SG-CD2 3.16Å; C294-H311 PolarHBondContact SG-NE2 2.98Å; C297-H311 VanDerWaalsContact SG-CE1 3.56Å; C297-H311 PolarHBondContact SG-NE2 3.22Å; I302-H311 HydrophobicContact CD1-CB 4.33Å; I302-H311 WeakPolarHBondContact CD1-CD2 3.38Å; H307-H311 WeakPolarHBondContact O-CB 3.43Å; H307-H311 PolarHBondContact O-N 3.33Å; L308-H311 PolarHBondContact O-N 3.48Å; H311-Q313 VanDerWaalsContact C-N 3.28Å; H311-D314 WeakPolarHBondContact O-CB 3.22Å; H311-D314 PolarHBondContact O-N 2.78Å; H311-H315 AromaticContact CE1-CD2 3.66Å; H311-H315 AromaticContact CE1-NE2 3.52Å; H311-H315 AromaticContact NE2-CD2 3.52Å; H311-H315 AromaticContact NE2-NE2 3.36Å; H311-H315 PolarHBondContact NE2-NE2 3.1Å; H311-H315 PolarHBondContact O-CD2 3.09Å; H311-H315 PolarHBondContact O-N 3.38Å
312L81Confident70.9Confident35 Ų3581.7 Ų81.718%0.18340%0.4CS..Hα-helixtrans-65.2-33.9168.7-71172.7000111.3I280 L296 L308 H315 Q316I280-L312 HydrophobicContact CD1-CD1 4.29Å; L296-L312 HydrophobicContact CD1-CD2 3.92Å; L296-L312 HydrophobicContact CG-CD2 4.27Å; L308-L312 HydrophobicContact CD1-CD1 4.38Å; L308-L312 HydrophobicContact CD1-CG 4.35Å; L308-L312 HydrophobicContact CD2-CD1 4.23Å; L308-L312 HydrophobicContact CG-CD1 3.91Å; L308-L312 HydrophobicContact CG-CG 4.26Å; L308-L312 WeakPolarHBondContact O-CB 3.46Å; L308-L312 WeakPolarHBondContact O-CG 3.3Å; L308-L312 PolarHBondContact O-N 3.48Å; L312-H315 WeakPolarHBondContact O-CB 3.36Å; L312-H315 PolarHBondContact O-N 2.71Å; L312-Q316 WeakPolarHBondContact O-CG 3.44Å; L312-Q316 PolarHBondContact O-N 2.95Å
313Q80Confident69.6Low90 Ų9087.6 Ų87.642%0.42143%0.431SS..Hα-helixtrans-68.7-35.5172.8-170.262.494.500112.1T309 N310 H311 Q316 S317T309-Q313 WeakPolarHBondContact O-CB 3.44Å; T309-Q313 PolarHBondContact O-N 3.47Å; N310-Q313 CarbonylContact O-C 3.55Å; N310-Q313 WeakPolarHBondContact O-CB 3.16Å; N310-Q313 PolarHBondContact O-N 3.29Å; H311-Q313 VanDerWaalsContact C-N 3.28Å; Q313-Q316 VanDerWaalsContact NE2-OE1 3.09Å; Q313-Q316 PolarHBondContact O-N 3.33Å; Q313-S317 WeakPolarHBondContact O-CB 3.15Å; Q313-S317 PolarHBondContact O-N 3.38Å; Q313-S317 PolarHBondContact O-OG 3.37Å
314D75.4Confident68.5Low78 Ų7890.2 Ų90.242%0.41744%0.44SS..Hα-helixtrans-62.8-46.7170.1-92.1-39.1000110.9N310 H311 Q316 S317 N318 R321N310-D314 PolarHBondContact O-N 3.49Å; H311-D314 WeakPolarHBondContact O-CB 3.22Å; H311-D314 PolarHBondContact O-N 2.78Å; D314-Q316 PolarHBondContact O-N 3.27Å; D314-S317 WeakPolarHBondContact CA-OG 3.44Å; D314-S317 CarbonylContact O-C 3.32Å; D314-S317 PolarHBondContact O-N 3.01Å; D314-S317 VanDerWaalsContact O-N 3.07Å; D314-S317 PolarHBondContact O-OG 3.14Å; D314-N318 WeakPolarHBondContact O-CB 3.45Å; D314-N318 VanDerWaalsContact O-CG 3.24Å; D314-N318 PolarHBondContact O-N 3Å; D314-R321 IonicContact OD1-NH2 3.27Å; D314-R321 PolarHBondContact OD1-NH2 2.82Å
315H77.5Confident68.2Low25 Ų2592.9 Ų92.912%0.11645%0.446CS..Hα-helixtrans-52.1-55.2171.2-90.4-80.7000112.2L296 C297 H311 L312 S317 N318 F319L296-H315 VanDerWaalsContact C-CE1 3.46Å; L296-H315 VanDerWaalsContact CB-CE1 3.47Å; L296-H315 WeakPolarHBondContact CB-CE1 3.26Å; L296-H315 HydrophobicContact CD1-CB 3.84Å; L296-H315 PolarHBondContact O-CE1 2.83Å; C297-H315 PolarHBondContact SG-NE2 2.96Å; H311-H315 AromaticContact CE1-CD2 3.66Å; H311-H315 AromaticContact CE1-NE2 3.52Å; H311-H315 AromaticContact NE2-CD2 3.52Å; H311-H315 AromaticContact NE2-NE2 3.36Å; H311-H315 PolarHBondContact NE2-NE2 3.1Å; H311-H315 PolarHBondContact O-CD2 3.09Å; H311-H315 PolarHBondContact O-N 3.38Å; L312-H315 WeakPolarHBondContact O-CB 3.36Å; L312-H315 PolarHBondContact O-N 2.71Å; H315-S317 PolarHBondContact O-N 2.8Å; H315-S317 VanDerWaalsContact O-N 3.16Å; H315-N318 PolarHBondContact O-N 3.23Å; H315-F319 VanDerWaalsContact O-CD2 3.29Å; H315-F319 WeakPolarHBondContact O-CD2 3.48Å; H315-F319 PolarHBondContact O-N 3.47Å
316Q62.9Low68.2Low115 Ų11591 Ų9154%0.53744%0.441SS..Hα-helixtrans-59.3-27177.8-73.5179.54.700113.5L312 Q313 D314L312-Q316 WeakPolarHBondContact O-CG 3.44Å; L312-Q316 PolarHBondContact O-N 2.95Å; Q313-Q316 VanDerWaalsContact NE2-OE1 3.09Å; Q313-Q316 PolarHBondContact O-N 3.33Å; D314-Q316 PolarHBondContact O-N 3.27Å
317S59.3Low68.2Low30 Ų3090.7 Ų90.721%0.2143%0.431CS..Hα-helixtrans-83.6-32.4175.280.60000112.6Q313 D314 H315 K320 R321Q313-S317 WeakPolarHBondContact O-CB 3.15Å; Q313-S317 PolarHBondContact O-N 3.38Å; Q313-S317 PolarHBondContact O-OG 3.37Å; D314-S317 WeakPolarHBondContact CA-OG 3.44Å; D314-S317 CarbonylContact O-C 3.32Å; D314-S317 PolarHBondContact O-N 3.01Å; D314-S317 VanDerWaalsContact O-N 3.07Å; D314-S317 PolarHBondContact O-OG 3.14Å; H315-S317 PolarHBondContact O-N 2.8Å; H315-S317 VanDerWaalsContact O-N 3.16Å; S317-K320 CarbonylContact O-C 3.54Å; S317-K320 VanDerWaalsContact O-C 3.3Å; S317-K320 WeakPolarHBondContact O-CA 3.43Å; S317-K320 PolarHBondContact O-N 2.96Å; S317-R321 WeakPolarHBondContact O-CB 3.47Å; S317-R321 WeakPolarHBondContact O-CG 3.26Å; S317-R321 PolarHBondContact O-N 3.42Å; S317-R321 VanDerWaalsContact O-N 3.1Å; S317-R321 VanDerWaalsContact OG-CZ 3.27Å; S317-R321 PolarHBondContact OG-NE 3.47Å; S317-R321 PolarHBondContact OG-NH2 3.16Å
318N48.4Very low68.4Low82 Ų8285.1 Ų85.144%0.43941%0.405SS..Hα-helixtrans-69.6-42.8177.9-70.9-14.3000110.6D314 H315 K320 R321D314-N318 WeakPolarHBondContact O-CB 3.45Å; D314-N318 VanDerWaalsContact O-CG 3.24Å; D314-N318 PolarHBondContact O-N 3Å; H315-N318 PolarHBondContact O-N 3.23Å; N318-K320 PolarHBondContact O-N 3.18Å; N318-R321 PolarHBondContact O-N 3.07Å; N318-R321 WeakPolarHBondContact OD1-CD 3.47Å; N318-R321 PolarHBondContact OD1-NE 3.28Å
319F43.9Very low68.4Low168 Ų16887.9 Ų87.974%0.73742%0.424SS*.THydrogen-bonded Turntrans-61.63.7166.9-74.2-65.4000114.5H315H315-F319 VanDerWaalsContact O-CD2 3.29Å; H315-F319 WeakPolarHBondContact O-CD2 3.48Å; H315-F319 PolarHBondContact O-N 3.47Å
320K46.4Very low68.3Low158 Ų15889.2 Ų89.269%0.68742%0.424SS*.THydrogen-bonded Turntrans-135.116.8172.9-64.1-168.8176-173.10113.5S317 N318S317-K320 CarbonylContact O-C 3.54Å; S317-K320 VanDerWaalsContact O-C 3.3Å; S317-K320 WeakPolarHBondContact O-CA 3.43Å; S317-K320 PolarHBondContact O-N 2.96Å; N318-K320 PolarHBondContact O-N 3.18Å
321R40.4Very low68.7Low127 Ų12786.3 Ų86.348%0.47941%0.411SS..SBendtrans-102.8-10.2-175.3-93.8175-150.9-165.611.9115.3D314 S317 N318D314-R321 IonicContact OD1-NH2 3.27Å; D314-R321 PolarHBondContact OD1-NH2 2.82Å; S317-R321 WeakPolarHBondContact O-CB 3.47Å; S317-R321 WeakPolarHBondContact O-CG 3.26Å; S317-R321 PolarHBondContact O-N 3.42Å; S317-R321 VanDerWaalsContact O-N 3.1Å; S317-R321 VanDerWaalsContact OG-CZ 3.27Å; S317-R321 PolarHBondContact OG-NE 3.47Å; S317-R321 PolarHBondContact OG-NH2 3.16Å; N318-R321 PolarHBondContact O-N 3.07Å; N318-R321 WeakPolarHBondContact OD1-CD 3.47Å; N318-R321 PolarHBondContact OD1-NE 3.28Å
322E45.9Very low68.6Low174 Ų17490.5 Ų90.581%0.81343%0.429SS*.SBendtrans-72.8-44.2177.5-62.4-174.316300110.9Y324E322-Y324 PolarHBondContact O-N 3.47Å
323D51.3Low68.8Low139 Ų13990.9 Ų90.974%0.74344%0.435SS*.THydrogen-bonded Turntrans-73.4-19.4179.4-70.6-39.1000115.9
324Y53.2Low69.3Low148 Ų14892.3 Ų92.358%0.5844%0.441SS*.THydrogen-bonded Turntrans-12737.6-165.6-64.2-63000114.9E322 H326E322-Y324 PolarHBondContact O-N 3.47Å; Y324-H326 PolarHBondContact O-N 3.36Å
325K76.4Confident70Confident99 Ų9990.2 Ų90.243%0.4343%0.43SS..  trans-65.1127.5165.6-55.2-167.1-172.6-1760110.6V327 E334K325-V327 HydrophobicContact CB-CG2 4.35Å; K325-V327 PolarHBondContact O-N 3.45Å; K325-E334 HydrophobicContact CD-CB 4.49Å; K325-E334 HydrophobicContact CD-CG 4.21Å; K325-E334 WeakPolarHBondContact CD-OE1 3.36Å; K325-E334 VanDerWaalsContact CD-OE2 3.31Å; K325-E334 WeakPolarHBondContact CD-OE2 3.31Å; K325-E334 WeakPolarHBondContact CE-OE1 3.14Å; K325-E334 IonicContact NZ-OE1 2.64Å; K325-E334 PolarHBondContact NZ-OE1 2.84Å; K325-E334 IonicContact NZ-OE2 2.72Å; K325-E334 PolarHBondContact NZ-OE2 2.86Å
326H84.3Confident70.6Confident64 Ų6494.6 Ų94.630%0.29646%0.463SS..  trans-84.178.5179.9-63.2-76.9000111.5Y324 L335 S337 N338 L341Y324-H326 PolarHBondContact O-N 3.36Å; H326-L335 HydrophobicContact CB-CB 4.49Å; H326-L335 WeakPolarHBondContact CB-O 3.42Å; H326-L335 PolarHBondContact N-O 3.2Å; H326-L335 VanDerWaalsContact N-O 3.16Å; H326-L335 WeakPolarHBondContact O-CB 3.28Å; H326-L335 PolarHBondContact O-N 3.42Å; H326-L335 VanDerWaalsContact O-N 3.15Å; H326-S337 VanDerWaalsContact CD2-CA 3.48Å; H326-S337 WeakPolarHBondContact CD2-CA 3.4Å; H326-N338 PolarHBondContact CD2-N 3.35Å; H326-N338 PolarHBondContact NE2-N 3.15Å; H326-L341 HydrophobicContact CB-CB 4.02Å; H326-L341 HydrophobicContact CB-CD2 4Å
327V85.8Confident71.8Confident32 Ų3290.7 Ų90.719%0.19445%0.448CS..  trans-70.5135.6-178.7-175.80000111.7K325 F332 E334K325-V327 HydrophobicContact CB-CG2 4.35Å; K325-V327 PolarHBondContact O-N 3.45Å; V327-F332 HydrophobicContact CG1-CB 4.28Å; V327-F332 HydrophobicContact CG1-CD1 4.13Å; V327-E334 HydrophobicContact CG2-CG 4.48Å
328C88.8Confident73.2Confident0 Ų093 Ų930%046%0.459CS..  trans-83.5113.6172176.80000112.7F330 C331 F332 S333 L341 H344 H348C328-F330 PolarHBondContact O-N 3.23Å; C328-C331 PolarHBondContact O-N 3.23Å; C328-C331 VanDerWaalsContact O-N 3.13Å; C328-F332 VanDerWaalsContact O-CA 3.27Å; C328-F332 WeakPolarHBondContact O-CA 3.43Å; C328-F332 PolarHBondContact O-N 2.69Å; C328-S333 PolarHBondContact N-O 3.07Å; C328-L341 HydrophobicContact CB-CD1 3.73Å; C328-H344 VanDerWaalsContact CB-CD2 3.47Å; C328-H344 WeakPolarHBondContact CB-CD2 3.44Å; C328-H344 WeakPolarHBondContact CB-NE2 3.48Å; C328-H344 PolarHBondContact SG-CD2 3.23Å; C328-H344 PolarHBondContact SG-NE2 3.36Å; C328-H348 VanDerWaalsContact SG-CD2 3.5Å; C328-H348 PolarHBondContact SG-NE2 2.94Å
329C86.6Confident75.2Confident59 Ų5992.9 Ų92.940%0.39946%0.464SS..THydrogen-bonded Turntrans-60-3179.860.70000117.4
330F82.1Confident77.5Confident106 Ų10685.7 Ų85.747%0.46544%0.435SS..THydrogen-bonded Turntrans-108.7-13.5176.9-64.5-69.2000115C328 L345 H348C328-F330 PolarHBondContact O-N 3.23Å; F330-L345 HydrophobicContact CD2-CD2 3.74Å; F330-L345 HydrophobicContact CE2-CD2 3.92Å; F330-H348 HydrophobicContact CB-CB 4.24Å; F330-H348 WeakPolarHBondContact CB-ND1 3.44Å; F330-H348 HydrophobicContact CD2-CB 3.69Å; F330-H348 AromaticContact CD2-CG 3.79Å; F330-H348 HydrophobicContact CE2-CB 4.26Å; F330-H348 HydrophobicContact CG-CB 4.05Å; F330-H348 AromaticContact CG-CG 3.88Å
331C88.2Confident79.6Confident45 Ų4579.3 Ų79.330%0.30441%0.408SS..THydrogen-bonded Turntrans-154.210.6-179.265.80000113.9C328 S333 H344 H348C328-C331 PolarHBondContact O-N 3.23Å; C328-C331 VanDerWaalsContact O-N 3.13Å; C331-S333 PolarHBondContact O-N 3.36Å; C331-S333 PolarHBondContact SG-OG 2.96Å; C331-H344 PolarHBondContact SG-CE1 3.1Å; C331-H344 PolarHBondContact SG-NE2 2.82Å; C331-H348 WeakPolarHBondContact CB-CE1 3.36Å; C331-H348 PolarHBondContact SG-CE1 3.36Å; C331-H348 PolarHBondContact SG-NE2 3.45Å
332F83.3Confident82Confident126 Ų12679 Ų7955%0.55341%0.412SS*.  trans51.117176.9-53.7-77.5000116.5V327 C328 E334V327-F332 HydrophobicContact CG1-CB 4.28Å; V327-F332 HydrophobicContact CG1-CD1 4.13Å; C328-F332 VanDerWaalsContact O-CA 3.27Å; C328-F332 WeakPolarHBondContact O-CA 3.43Å; C328-F332 PolarHBondContact O-N 2.69Å; F332-E334 PolarHBondContact O-N 2.98Å
333S85.7Confident84.2Confident44 Ų4476.3 Ų76.331%0.30839%0.394SS..  trans-64.1119.5173.3-49.30000110.3C328 C331 H344C328-S333 PolarHBondContact N-O 3.07Å; C331-S333 PolarHBondContact O-N 3.36Å; C331-S333 PolarHBondContact SG-OG 2.96Å; S333-H344 PolarHBondContact OG-CE1 3.18Å; S333-H344 VanDerWaalsContact OG-CE1 3.31Å
334E89.6Confident86.1Confident119 Ų11971.8 Ų71.856%0.55637%0.369SS*.  trans-67.7132.1169.4-51.9-168.9147.400109.7K325 V327 F332K325-E334 HydrophobicContact CD-CB 4.49Å; K325-E334 HydrophobicContact CD-CG 4.21Å; K325-E334 WeakPolarHBondContact CD-OE1 3.36Å; K325-E334 VanDerWaalsContact CD-OE2 3.31Å; K325-E334 WeakPolarHBondContact CD-OE2 3.31Å; K325-E334 WeakPolarHBondContact CE-OE1 3.14Å; K325-E334 IonicContact NZ-OE1 2.64Å; K325-E334 PolarHBondContact NZ-OE1 2.84Å; K325-E334 IonicContact NZ-OE2 2.72Å; K325-E334 PolarHBondContact NZ-OE2 2.86Å; V327-E334 HydrophobicContact CG2-CG 4.48Å; F332-E334 PolarHBondContact O-N 2.98Å
335L89.7Confident88Confident35 Ų3567.1 Ų67.118%0.18335%0.354CS..  trans-128138.1179.2-62.1164.4000110H326 S337 L341 H344H326-L335 HydrophobicContact CB-CB 4.49Å; H326-L335 WeakPolarHBondContact CB-O 3.42Å; H326-L335 PolarHBondContact N-O 3.2Å; H326-L335 VanDerWaalsContact N-O 3.16Å; H326-L335 WeakPolarHBondContact O-CB 3.28Å; H326-L335 PolarHBondContact O-N 3.42Å; H326-L335 VanDerWaalsContact O-N 3.15Å; L335-S337 PolarHBondContact O-N 2.9Å; L335-L341 HydrophobicContact CD1-CB 4.11Å; L335-L341 HydrophobicContact CD1-CD1 4.09Å; L335-H344 HydrophobicContact CD1-CB 3.54Å
336S89.3Confident88.7Confident116 Ų11664.1 Ų64.181%0.81134%0.342SS*.SBendtrans-71.3-0.1-172.859.30000115.4
337S88.7Confident88.9Confident33 Ų3364.2 Ų64.223%0.23135%0.347CS..SBendtrans-166.6142-172.940.40000111.8H326 L335 S339 S340 L341H326-S337 VanDerWaalsContact CD2-CA 3.48Å; H326-S337 WeakPolarHBondContact CD2-CA 3.4Å; L335-S337 PolarHBondContact O-N 2.9Å; S337-S339 VanDerWaalsContact C-N 3.26Å; S337-S339 PolarHBondContact O-N 2.85Å; S337-S340 WeakPolarHBondContact O-CA 3.48Å; S337-S340 WeakPolarHBondContact O-CB 3.49Å; S337-S340 PolarHBondContact O-N 3.08Å; S337-S340 VanDerWaalsContact OG-CB 3.27Å; S337-S340 WeakPolarHBondContact OG-CB 3.26Å; S337-S340 PolarHBondContact OG-OG 2.96Å; S337-L341 PolarHBondContact O-N 2.65Å
338N89.5Confident89.1Confident80 Ų8065.9 Ų65.943%0.42835%0.353SS..Hα-helixtrans-58-38.8176.9-168.627000112.3H326 S340 L341 E342H326-N338 PolarHBondContact CD2-N 3.35Å; H326-N338 PolarHBondContact NE2-N 3.15Å; N338-S340 PolarHBondContact O-N 3.2Å; N338-L341 CarbonylContact O-C 3.23Å; N338-L341 WeakPolarHBondContact O-CA 3.48Å; N338-L341 WeakPolarHBondContact O-CB 3.27Å; N338-L341 PolarHBondContact O-N 3.4Å; N338-E342 PolarHBondContact O-N 3.41Å
339S89.9Confident89.1Confident78 Ų7868.2 Ų68.255%0.54537%0.367SS..Hα-helixtrans-64.2-25.5175570000113.3S337 R343S337-S339 VanDerWaalsContact C-N 3.26Å; S337-S339 PolarHBondContact O-N 2.85Å; S339-R343 WeakPolarHBondContact O-CB 3.48Å; S339-R343 PolarHBondContact O-N 3.3Å
340S92.3Very high89Confident17 Ų1771 Ų7112%0.11938%0.378CS..Hα-helixtrans-76.9-35.5168.7-69.90000112.3S337 N338 R343 H344S337-S340 WeakPolarHBondContact O-CA 3.48Å; S337-S340 WeakPolarHBondContact O-CB 3.49Å; S337-S340 PolarHBondContact O-N 3.08Å; S337-S340 VanDerWaalsContact OG-CB 3.27Å; S337-S340 WeakPolarHBondContact OG-CB 3.26Å; S337-S340 PolarHBondContact OG-OG 2.96Å; N338-S340 PolarHBondContact O-N 3.2Å; S340-R343 PolarHBondContact OG-NH2 2.88Å; S340-H344 WeakPolarHBondContact O-CB 3.42Å; S340-H344 PolarHBondContact O-N 3.2Å
341L91.6Very high89.4Confident24 Ų2471.2 Ų71.213%0.12638%0.38CS..Hα-helixtrans-64.9-50.4172.2175.659.5000112.1H326 C328 L335 S337 N338 R343 H344 L345H326-L341 HydrophobicContact CB-CB 4.02Å; H326-L341 HydrophobicContact CB-CD2 4Å; C328-L341 HydrophobicContact CB-CD1 3.73Å; L335-L341 HydrophobicContact CD1-CB 4.11Å; L335-L341 HydrophobicContact CD1-CD1 4.09Å; S337-L341 PolarHBondContact O-N 2.65Å; N338-L341 CarbonylContact O-C 3.23Å; N338-L341 WeakPolarHBondContact O-CA 3.48Å; N338-L341 WeakPolarHBondContact O-CB 3.27Å; N338-L341 PolarHBondContact O-N 3.4Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-R343 PolarHBondContact O-N 2.81Å; L341-H344 CarbonylContact O-C 3.48Å; L341-H344 WeakPolarHBondContact O-CA 3.16Å; L341-H344 WeakPolarHBondContact O-CB 3.24Å; L341-H344 PolarHBondContact O-N 3.19Å; L341-L345 HydrophobicContact CD1-CD1 4.14Å; L341-L345 HydrophobicContact CD1-CD2 4.33Å; L341-L345 HydrophobicContact CD1-CG 3.96Å; L341-L345 HydrophobicContact CG-CD1 4.09Å; L341-L345 HydrophobicContact CG-CG 4.38Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.25Å; L341-L345 PolarHBondContact O-N 3.44Å
342E90.5Very high89.6Confident121 Ų12175.1 Ų75.157%0.56539%0.388SS*.Hα-helixtrans-54.6-49.5174.9-70-178.9157.500111.5N338 H344 L345 L346N338-E342 PolarHBondContact O-N 3.41Å; E342-H344 VanDerWaalsContact C-N 3.25Å; E342-H344 PolarHBondContact O-N 2.92Å; E342-L345 PolarHBondContact O-N 3.07Å; E342-L346 PolarHBondContact O-N 3.35Å
343R91.5Very high89.9Confident118 Ų11872.2 Ų72.245%0.44538%0.382SS..Hα-helixtrans-60.2-31.9175.1175.1-179.857.773.9-3113.1S339 S340 L341 L346 T365S339-R343 WeakPolarHBondContact O-CB 3.48Å; S339-R343 PolarHBondContact O-N 3.3Å; S340-R343 PolarHBondContact OG-NH2 2.88Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-R343 PolarHBondContact O-N 2.81Å; R343-L346 WeakPolarHBondContact O-CB 3.29Å; R343-T365 HydrophobicContact CG-CG2 3.73Å
344H91.5Very high90.3Very high44 Ų4473.7 Ų73.720%0.20438%0.383CS..Hα-helixtrans-79.7-36.6178.1175.298.5000112C328 C331 S333 L335 S340 L341 E342 L346 T347 H348C328-H344 VanDerWaalsContact CB-CD2 3.47Å; C328-H344 WeakPolarHBondContact CB-CD2 3.44Å; C328-H344 WeakPolarHBondContact CB-NE2 3.48Å; C328-H344 PolarHBondContact SG-CD2 3.23Å; C328-H344 PolarHBondContact SG-NE2 3.36Å; C331-H344 PolarHBondContact SG-CE1 3.1Å; C331-H344 PolarHBondContact SG-NE2 2.82Å; S333-H344 PolarHBondContact OG-CE1 3.18Å; S333-H344 VanDerWaalsContact OG-CE1 3.31Å; L335-H344 HydrophobicContact CD1-CB 3.54Å; S340-H344 WeakPolarHBondContact O-CB 3.42Å; S340-H344 PolarHBondContact O-N 3.2Å; L341-H344 CarbonylContact O-C 3.48Å; L341-H344 WeakPolarHBondContact O-CA 3.16Å; L341-H344 WeakPolarHBondContact O-CB 3.24Å; L341-H344 PolarHBondContact O-N 3.19Å; E342-H344 VanDerWaalsContact C-N 3.25Å; E342-H344 PolarHBondContact O-N 2.92Å; H344-L346 PolarHBondContact O-N 3.38Å; H344-L346 VanDerWaalsContact O-N 3.14Å; H344-T347 WeakPolarHBondContact O-CB 3.49Å; H344-T347 WeakPolarHBondContact O-CG2 3.27Å; H344-T347 PolarHBondContact O-N 3.2Å; H344-T347 PolarHBondContact O-OG1 3.34Å; H344-H348 AromaticContact CD2-CD2 3.88Å; H344-H348 AromaticContact CD2-NE2 3.3Å; H344-H348 PolarHBondContact CD2-NE2 3.03Å; H344-H348 VanDerWaalsContact CD2-NE2 3.3Å; H344-H348 AromaticContact CE1-NE2 3.54Å; H344-H348 AromaticContact NE2-CD2 3.64Å; H344-H348 AromaticContact NE2-NE2 2.04Å; H344-H348 PolarHBondContact NE2-NE2 3.31Å
345L91.9Very high90.5Very high50 Ų5072.9 Ų72.926%0.26238%0.383SS..Hα-helixtrans-61.8-19.6172.7-68.2170.3000112.5F330 L341 E342 T347 H348 T349F330-L345 HydrophobicContact CD2-CD2 3.74Å; F330-L345 HydrophobicContact CE2-CD2 3.92Å; L341-L345 HydrophobicContact CD1-CD1 4.14Å; L341-L345 HydrophobicContact CD1-CD2 4.33Å; L341-L345 HydrophobicContact CD1-CG 3.96Å; L341-L345 HydrophobicContact CG-CD1 4.09Å; L341-L345 HydrophobicContact CG-CG 4.38Å; L341-L345 VanDerWaalsContact O-CG 3.32Å; L341-L345 WeakPolarHBondContact O-CG 3.25Å; L341-L345 PolarHBondContact O-N 3.44Å; E342-L345 PolarHBondContact O-N 3.07Å; L345-T347 PolarHBondContact O-N 2.95Å; L345-H348 PolarHBondContact O-N 3.32Å; L345-T349 WeakPolarHBondContact O-CB 3.48Å; L345-T349 WeakPolarHBondContact O-CG2 3.47Å; L345-T349 PolarHBondContact O-N 3.27Å; L345-T349 PolarHBondContact O-OG1 3.2Å
346L92.9Very high90.7Very high35 Ų3571.7 Ų71.718%0.18338%0.377CS..Hα-helixtrans-63.6-21.9167.9-60.5-179.6000113.8E342 R343 H344 T349 N350 H351 T364E342-L346 PolarHBondContact O-N 3.35Å; R343-L346 WeakPolarHBondContact O-CB 3.29Å; H344-L346 PolarHBondContact O-N 3.38Å; H344-L346 VanDerWaalsContact O-N 3.14Å; L346-T349 VanDerWaalsContact CA-OG1 3.32Å; L346-T349 WeakPolarHBondContact CA-OG1 3.33Å; L346-N350 CarbonylContact O-C 3.07Å; L346-N350 VanDerWaalsContact O-CA 3.24Å; L346-N350 WeakPolarHBondContact O-CA 3.42Å; L346-N350 PolarHBondContact O-N 3.4Å; L346-H351 HydrophobicContact CD2-CB 3.98Å; L346-H351 PolarHBondContact O-N 2.79Å; L346-H351 VanDerWaalsContact O-N 3.15Å; L346-T364 HydrophobicContact CB-CG2 3.95Å; L346-T364 WeakPolarHBondContact CD1-O 3.34Å
347T88.2Confident90.8Very high67 Ų6773.6 Ų73.641%0.41138%0.378SS..Hα-helixtrans-73.9-52.7172.867.70000110.9H344 L345 T349 N350H344-T347 WeakPolarHBondContact O-CB 3.49Å; H344-T347 WeakPolarHBondContact O-CG2 3.27Å; H344-T347 PolarHBondContact O-N 3.2Å; H344-T347 PolarHBondContact O-OG1 3.34Å; L345-T347 PolarHBondContact O-N 2.95Å; T347-T349 VanDerWaalsContact C-N 3.26Å; T347-T349 PolarHBondContact O-N 3.24Å; T347-N350 PolarHBondContact O-N 3.38Å
348H89.2Confident90.9Very high67 Ų6777.4 Ų77.431%0.3140%0.395SS..Hα-helixtrans-63.2-27.2177.1-65.5-65.2000114.4C328 F330 C331 H344 L345 R1440C328-H348 VanDerWaalsContact SG-CD2 3.5Å; C328-H348 PolarHBondContact SG-NE2 2.94Å; F330-H348 HydrophobicContact CB-CB 4.24Å; F330-H348 WeakPolarHBondContact CB-ND1 3.44Å; F330-H348 HydrophobicContact CD2-CB 3.69Å; F330-H348 AromaticContact CD2-CG 3.79Å; F330-H348 HydrophobicContact CE2-CB 4.26Å; F330-H348 HydrophobicContact CG-CB 4.05Å; F330-H348 AromaticContact CG-CG 3.88Å; C331-H348 WeakPolarHBondContact CB-CE1 3.36Å; C331-H348 PolarHBondContact SG-CE1 3.36Å; C331-H348 PolarHBondContact SG-NE2 3.45Å; H344-H348 AromaticContact CD2-CD2 3.88Å; H344-H348 AromaticContact CD2-NE2 3.3Å; H344-H348 PolarHBondContact CD2-NE2 3.03Å; H344-H348 VanDerWaalsContact CD2-NE2 3.3Å; H344-H348 AromaticContact CE1-NE2 3.54Å; H344-H348 AromaticContact NE2-CD2 3.64Å; H344-H348 AromaticContact NE2-NE2 2.04Å; H344-H348 PolarHBondContact NE2-NE2 3.31Å; L345-H348 PolarHBondContact O-N 3.32Å; H348-R1440 PolarHBondContact O-NH2 3.08Å
349T88.3Confident91.1Very high49 Ų4975.4 Ų75.430%0.30139%0.387SS..THydrogen-bonded Turntrans-90.1-13.5172.356.90000113.6L345 L346 T347 H351L345-T349 WeakPolarHBondContact O-CB 3.48Å; L345-T349 WeakPolarHBondContact O-CG2 3.47Å; L345-T349 PolarHBondContact O-N 3.27Å; L345-T349 PolarHBondContact O-OG1 3.2Å; L346-T349 VanDerWaalsContact CA-OG1 3.32Å; L346-T349 WeakPolarHBondContact CA-OG1 3.33Å; T347-T349 VanDerWaalsContact C-N 3.26Å; T347-T349 PolarHBondContact O-N 3.24Å; T349-H351 PolarHBondContact O-N 3.27Å; T349-H351 VanDerWaalsContact O-N 3.13Å; T349-H351 WeakPolarHBondContact OG1-CB 3.4Å; T349-H351 PolarHBondContact OG1-N 3.11Å
350N85.3Confident91.1Very high117 Ų11779.9 Ų79.963%0.62641%0.405SS*.  trans4922.8-164.7-89.8-62000114.1L346 T347 R352L346-N350 CarbonylContact O-C 3.07Å; L346-N350 VanDerWaalsContact O-CA 3.24Å; L346-N350 WeakPolarHBondContact O-CA 3.42Å; L346-N350 PolarHBondContact O-N 3.4Å; T347-N350 PolarHBondContact O-N 3.38Å; N350-R352 PolarHBondContact O-N 3.29Å
351H89.7Confident91.2Very high111 Ų11185 Ų8551%0.51443%0.426SS..  trans-78.9117.6-176.6-171.1-100000110.4L346 T349 P353L346-H351 HydrophobicContact CD2-CB 3.98Å; L346-H351 PolarHBondContact O-N 2.79Å; L346-H351 VanDerWaalsContact O-N 3.15Å; T349-H351 PolarHBondContact O-N 3.27Å; T349-H351 VanDerWaalsContact O-N 3.13Å; T349-H351 WeakPolarHBondContact OG1-CB 3.4Å; T349-H351 PolarHBondContact OG1-N 3.11Å; H351-P353 VanDerWaalsContact O-CD 3.31Å; H351-P353 WeakPolarHBondContact O-CD 3.38Å
352R92.4Very high91.2Very high126 Ų12684.9 Ų84.948%0.47543%0.428SS..  trans-118.882.9-173.2-72163.7173.7-118.19.4109.6N350 F354 A362 F363 T364N350-R352 PolarHBondContact O-N 3.29Å; R352-F354 VanDerWaalsContact C-N 3.28Å; R352-F354 PolarHBondContact O-N 3.16Å; R352-A362 HydrophobicContact CB-CB 3.62Å; R352-A362 WeakPolarHBondContact CD-O 3.21Å; R352-A362 PolarHBondContact NH1-O 3Å; R352-F363 CarbonylContact C-O 3.55Å; R352-F363 VanDerWaalsContact C-O 3.23Å; R352-F363 VanDerWaalsContact CA-O 3.28Å; R352-F363 WeakPolarHBondContact CA-O 3.22Å; R352-T364 HydrophobicContact CG-CG2 3.96Å
353P89.4Confident91.5Very high65 Ų6581 Ų8142%0.42241%0.409SS..  trans-77-7.6-171.928.7-33.1000114.7H351H351-P353 VanDerWaalsContact O-CD 3.31Å; H351-P353 WeakPolarHBondContact O-CD 3.38Å
354F94.8Very high91.6Very high76 Ų7676.8 Ų76.833%0.33340%0.397SS..EExtended strand (participates in β ladder)trans-106.287.3-177.2-59.6-79.4000110.5R352 F363 N366 L369R352-F354 VanDerWaalsContact C-N 3.28Å; R352-F354 PolarHBondContact O-N 3.16Å; F354-F363 HydrophobicContact CB-CB 4.33Å; F354-F363 PolarHBondContact N-O 3.11Å; F354-F363 VanDerWaalsContact N-O 3.07Å; F354-F363 PolarHBondContact O-N 3.25Å; F354-N366 HydrophobicContact CD1-CB 3.76Å; F354-N366 VanDerWaalsContact CD2-N 3.33Å; F354-N366 HydrophobicContact CE1-CB 3.69Å; F354-N366 HydrophobicContact CG-CB 4.32Å; F354-N366 HydrophobicContact CZ-CB 4.17Å; F354-L369 HydrophobicContact CB-CB 4.06Å; F354-L369 HydrophobicContact CB-CD2 3.9Å
355N94Very high91.6Very high101 Ų10176.1 Ų76.154%0.5440%0.396SS..EExtended strand (participates in β ladder)trans-75.1146.8175.7-66.2-1.3000111.2A362 L369N355-A362 VanDerWaalsContact OD1-CB 3.22Å; N355-A362 WeakPolarHBondContact OD1-CB 3.5Å; N355-L369 VanDerWaalsContact O-CD2 3.26Å; N355-L369 WeakPolarHBondContact O-CD2 3.12Å
356C93.5Very high91.7Very high11 Ų1177.1 Ų77.17%0.07440%0.401CS..  trans-82.4140.9162.2-168.90000110.1L358 C359 K361 L369 H372C356-L358 VanDerWaalsContact C-N 3.28Å; C356-L358 PolarHBondContact SG-N 3.01Å; C356-L358 VanDerWaalsContact SG-N 3.45Å; C356-C359 WeakPolarHBondContact CB-O 3.47Å; C356-C359 VanDerWaalsContact O-O 3.06Å; C356-K361 PolarHBondContact N-O 2.91Å; C356-L369 HydrophobicContact CB-CD1 3.67Å; C356-H372 VanDerWaalsContact CB-NE2 3.3Å; C356-H372 WeakPolarHBondContact CB-NE2 3.42Å; C356-H372 PolarHBondContact SG-NE2 2.78Å
357N91Very high91.8Very high155 Ų15577.5 Ų77.583%0.82941%0.414SS*.SBendtrans-88.40.7176.3-62.92000112.3
358L91.8Very high92.1Very high113 Ų11376.5 Ų76.559%0.59241%0.406SS*.SBendtrans-117.9-6.6-174.9-56.1175.3000113C356 H377C356-L358 VanDerWaalsContact C-N 3.28Å; C356-L358 PolarHBondContact SG-N 3.01Å; C356-L358 VanDerWaalsContact SG-N 3.45Å; L358-H377 VanDerWaalsContact C-CE1 3.48Å; L358-H377 HydrophobicContact CB-CB 4.38Å; L358-H377 HydrophobicContact CD1-CB 3.59Å; L358-H377 PolarHBondContact O-CE1 3.03Å
359C93.2Very high92.3Very high38 Ų3874.2 Ų74.226%0.25740%0.396SS..SBendtrans-167.3165.7159.870.30000109.7C356 K361 H372 H377C356-C359 WeakPolarHBondContact CB-O 3.47Å; C356-C359 VanDerWaalsContact O-O 3.06Å; C359-K361 PolarHBondContact O-N 3.34Å; C359-H372 VanDerWaalsContact SG-CE1 3.55Å; C359-H377 PolarHBondContact SG-NE2 3.2Å; C359-H377 VanDerWaalsContact SG-NE2 3.43Å
360D89.9Confident92.6Very high172 Ų17273 Ų7392%0.9239%0.39SS*.SBendtrans-67.616.7-173.2-48.5-72.2000116.6A362D360-A362 PolarHBondContact O-N 3.37Å
361K93.8Very high93.1Very high126 Ų12673.5 Ų73.555%0.54838%0.383SS..  trans-81.8113.2-178.6-68.1179.7-177.31710110.5C356 C359 F363C356-K361 PolarHBondContact N-O 2.91Å; C359-K361 PolarHBondContact O-N 3.34Å; K361-F363 HydrophobicContact CB-CE2 3.75Å; K361-F363 HydrophobicContact CB-CZ 3.82Å; K361-F363 WeakPolarHBondContact O-CD2 3.2Å; K361-F363 WeakPolarHBondContact O-CE2 3.41Å
362A93.6Very high93.3Very high21 Ų2168.9 Ų68.917%0.17436%0.361CS..EExtended strand (participates in β ladder)trans-98.4143.9174.700000112.4R352 N355 D360R352-A362 HydrophobicContact CB-CB 3.62Å; R352-A362 WeakPolarHBondContact CD-O 3.21Å; R352-A362 PolarHBondContact NH1-O 3Å; N355-A362 VanDerWaalsContact OD1-CB 3.22Å; N355-A362 WeakPolarHBondContact OD1-CB 3.5Å; D360-A362 PolarHBondContact O-N 3.37Å
363F95.2Very high93.4Very high38 Ų3865.6 Ų65.617%0.16735%0.353CS..EExtended strand (participates in β ladder)trans-125.7152.8-175-60.6-87.3000112.8R352 F354 K361 N368 L369 H372R352-F363 CarbonylContact C-O 3.55Å; R352-F363 VanDerWaalsContact C-O 3.23Å; R352-F363 VanDerWaalsContact CA-O 3.28Å; R352-F363 WeakPolarHBondContact CA-O 3.22Å; F354-F363 HydrophobicContact CB-CB 4.33Å; F354-F363 PolarHBondContact N-O 3.11Å; F354-F363 VanDerWaalsContact N-O 3.07Å; F354-F363 PolarHBondContact O-N 3.25Å; K361-F363 HydrophobicContact CB-CE2 3.75Å; K361-F363 HydrophobicContact CB-CZ 3.82Å; K361-F363 WeakPolarHBondContact O-CD2 3.2Å; K361-F363 WeakPolarHBondContact O-CE2 3.41Å; F363-N368 HydrophobicContact CB-CB 4.11Å; F363-N368 HydrophobicContact CD1-CB 3.94Å; F363-N368 HydrophobicContact CG-CB 4.29Å; F363-L369 HydrophobicContact CB-CB 4.27Å; F363-L369 HydrophobicContact CD2-CB 3.96Å; F363-L369 HydrophobicContact CD2-CD1 4.02Å; F363-L369 HydrophobicContact CE2-CD1 4.29Å; F363-L369 HydrophobicContact CG-CB 4.29Å; F363-H372 HydrophobicContact CE1-CB 3.93Å; F363-H372 HydrophobicContact CE2-CB 3.81Å; F363-H372 AromaticContact CE2-CD2 3.16Å; F363-H372 WeakPolarHBondContact CE2-CD2 3.43Å; F363-H372 AromaticContact CE2-CG 3.53Å; F363-H372 AromaticContact CE2-NE2 3.87Å; F363-H372 HydrophobicContact CZ-CB 3.38Å; F363-H372 AromaticContact CZ-CD2 3.44Å; F363-H372 VanDerWaalsContact CZ-CD2 3.44Å; F363-H372 WeakPolarHBondContact CZ-CD2 3.46Å; F363-H372 AromaticContact CZ-CG 3.27Å; F363-H372 AromaticContact CZ-ND1 3.9Å
364T93.2Very high93.6Very high31 Ų3167.6 Ų67.619%0.1935%0.352CS..SBendtrans-77.4-17.7176.651.80000113.6L346 R352L346-T364 HydrophobicContact CB-CG2 3.95Å; L346-T364 WeakPolarHBondContact CD1-O 3.34Å; R352-T364 HydrophobicContact CG-CG2 3.96Å
365T93.1Very high93.4Very high30 Ų3069 Ų6918%0.18437%0.366CS..SBendtrans-141.3148.5177.365.90000111.7R343 G367 N368 L369R343-T365 HydrophobicContact CG-CG2 3.73Å; T365-G367 VanDerWaalsContact C-N 3.27Å; T365-G367 PolarHBondContact O-N 2.96Å; T365-N368 PolarHBondContact O-N 3Å; T365-N368 VanDerWaalsContact O-N 3.1Å; T365-N368 WeakPolarHBondContact OG1-CB 3.35Å; T365-N368 VanDerWaalsContact OG1-CG 3.24Å; T365-N368 PolarHBondContact OG1-N 3.4Å; T365-N368 PolarHBondContact OG1-ND2 3.39Å; T365-L369 PolarHBondContact O-N 3.35Å; T365-L369 VanDerWaalsContact O-N 3.14Å
366N93.9Very high93.1Very high70 Ų7067.1 Ų67.137%0.37436%0.361SS..Hα-helixtrans-57.6-41.5173.7-166.316.2000111.3F354 N368 L369 S370F354-N366 HydrophobicContact CD1-CB 3.76Å; F354-N366 VanDerWaalsContact CD2-N 3.33Å; F354-N366 HydrophobicContact CE1-CB 3.69Å; F354-N366 HydrophobicContact CG-CB 4.32Å; F354-N366 HydrophobicContact CZ-CB 4.17Å; N366-N368 PolarHBondContact O-N 3.06Å; N366-L369 CarbonylContact O-C 3.51Å; N366-L369 WeakPolarHBondContact O-CA 3.41Å; N366-L369 WeakPolarHBondContact O-CB 3.27Å; N366-L369 PolarHBondContact O-N 3.15Å; N366-S370 PolarHBondContact O-N 3.43Å; N366-S370 PolarHBondContact O-OG 3.13Å
367G93.6Very high92.9Very high44 Ų4469.5 Ų69.545%0.45437%0.371SS..Hα-helixtrans-60.9-27.1177.300000114.7T365 R371T365-G367 VanDerWaalsContact C-N 3.27Å; T365-G367 PolarHBondContact O-N 2.96Å; G367-R371 WeakPolarHBondContact O-CB 3.41Å; G367-R371 PolarHBondContact O-N 3.25Å
368N94.9Very high92.3Very high46 Ų4667.6 Ų67.625%0.24636%0.358CS..Hα-helixtrans-77.7-39.6171.1-74.3-22000111.7F363 T365 N366 R371 H372F363-N368 HydrophobicContact CB-CB 4.11Å; F363-N368 HydrophobicContact CD1-CB 3.94Å; F363-N368 HydrophobicContact CG-CB 4.29Å; T365-N368 PolarHBondContact O-N 3Å; T365-N368 VanDerWaalsContact O-N 3.1Å; T365-N368 WeakPolarHBondContact OG1-CB 3.35Å; T365-N368 VanDerWaalsContact OG1-CG 3.24Å; T365-N368 PolarHBondContact OG1-N 3.4Å; T365-N368 PolarHBondContact OG1-ND2 3.39Å; N366-N368 PolarHBondContact O-N 3.06Å; N368-R371 PolarHBondContact O-N 3.06Å; N368-R371 VanDerWaalsContact OD1-CZ 3.26Å; N368-R371 PolarHBondContact OD1-NH1 3.31Å; N368-R371 PolarHBondContact OD1-NH2 3.14Å; N368-H372 WeakPolarHBondContact O-CB 3.41Å; N368-H372 PolarHBondContact O-N 2.84Å
369L94.8Very high91Very high19 Ų1966.8 Ų66.810%0.09937%0.367CS..Hα-helixtrans-59.8-50.6171.6168.561000111.8F354 N355 C356 F363 T365 N366 R371 H372 I373F354-L369 HydrophobicContact CB-CB 4.06Å; F354-L369 HydrophobicContact CB-CD2 3.9Å; N355-L369 VanDerWaalsContact O-CD2 3.26Å; N355-L369 WeakPolarHBondContact O-CD2 3.12Å; C356-L369 HydrophobicContact CB-CD1 3.67Å; F363-L369 HydrophobicContact CB-CB 4.27Å; F363-L369 HydrophobicContact CD2-CB 3.96Å; F363-L369 HydrophobicContact CD2-CD1 4.02Å; F363-L369 HydrophobicContact CE2-CD1 4.29Å; F363-L369 HydrophobicContact CG-CB 4.29Å; T365-L369 PolarHBondContact O-N 3.35Å; T365-L369 VanDerWaalsContact O-N 3.14Å; N366-L369 CarbonylContact O-C 3.51Å; N366-L369 WeakPolarHBondContact O-CA 3.41Å; N366-L369 WeakPolarHBondContact O-CB 3.27Å; N366-L369 PolarHBondContact O-N 3.15Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 2.95Å; L369-H372 WeakPolarHBondContact O-CB 3.33Å; L369-H372 PolarHBondContact O-N 3.22Å; L369-H372 VanDerWaalsContact O-N 3.1Å; L369-I373 HydrophobicContact CD1-CD1 3.82Å; L369-I373 HydrophobicContact CD1-CG1 4.08Å; L369-I373 HydrophobicContact CG-CD1 4.03Å; L369-I373 WeakPolarHBondContact O-CG1 3.49Å; L369-I373 PolarHBondContact O-N 2.94Å
370S94.6Very high89.2Confident24 Ų2473.2 Ų73.217%0.16839%0.39CS..Hα-helixtrans-60.6-37.2177.6-42.60000111.7N366 R374N366-S370 PolarHBondContact O-N 3.43Å; N366-S370 PolarHBondContact O-OG 3.13Å; S370-R374 WeakPolarHBondContact O-CG 3.34Å; S370-R374 PolarHBondContact O-N 3.31Å
371R94.3Very high87Confident126 Ų12670.2 Ų70.248%0.47539%0.39SS..Hα-helixtrans-62.5-48.4173.1-167.9-170.9-51.6118.815.6110.8G367 N368 L369 I373 R374 T375G367-R371 WeakPolarHBondContact O-CB 3.41Å; G367-R371 PolarHBondContact O-N 3.25Å; N368-R371 PolarHBondContact O-N 3.06Å; N368-R371 VanDerWaalsContact OD1-CZ 3.26Å; N368-R371 PolarHBondContact OD1-NH1 3.31Å; N368-R371 PolarHBondContact OD1-NH2 3.14Å; L369-R371 VanDerWaalsContact C-N 3.27Å; L369-R371 PolarHBondContact O-N 2.95Å; R371-I373 PolarHBondContact O-N 3.19Å; R371-R374 PolarHBondContact O-N 3.45Å; R371-T375 HydrophobicContact CG-CG2 4.45Å; R371-T375 WeakPolarHBondContact O-CG2 3.41Å; R371-T375 PolarHBondContact O-N 3.46Å; R371-T375 PolarHBondContact O-OG1 3.19Å; R371-T375 VanDerWaalsContact O-OG1 3.09Å
372H94.9Very high84.9Confident15 Ų1568.7 Ų68.77%0.06939%0.391CS..Hα-helixtrans-58.3-46.7179.1156.561.8000112.8C356 C359 F363 N368 L369 R374 T375 S376 H377C356-H372 VanDerWaalsContact CB-NE2 3.3Å; C356-H372 WeakPolarHBondContact CB-NE2 3.42Å; C356-H372 PolarHBondContact SG-NE2 2.78Å; C359-H372 VanDerWaalsContact SG-CE1 3.55Å; F363-H372 HydrophobicContact CE1-CB 3.93Å; F363-H372 HydrophobicContact CE2-CB 3.81Å; F363-H372 AromaticContact CE2-CD2 3.16Å; F363-H372 WeakPolarHBondContact CE2-CD2 3.43Å; F363-H372 AromaticContact CE2-CG 3.53Å; F363-H372 AromaticContact CE2-NE2 3.87Å; F363-H372 HydrophobicContact CZ-CB 3.38Å; F363-H372 AromaticContact CZ-CD2 3.44Å; F363-H372 VanDerWaalsContact CZ-CD2 3.44Å; F363-H372 WeakPolarHBondContact CZ-CD2 3.46Å; F363-H372 AromaticContact CZ-CG 3.27Å; F363-H372 AromaticContact CZ-ND1 3.9Å; N368-H372 WeakPolarHBondContact O-CB 3.41Å; N368-H372 PolarHBondContact O-N 2.84Å; L369-H372 WeakPolarHBondContact O-CB 3.33Å; L369-H372 PolarHBondContact O-N 3.22Å; L369-H372 VanDerWaalsContact O-N 3.1Å; H372-R374 VanDerWaalsContact C-N 3.31Å; H372-R374 PolarHBondContact O-N 3.39Å; H372-T375 WeakPolarHBondContact CA-OG1 3.42Å; H372-T375 PolarHBondContact O-N 3.49Å; H372-T375 PolarHBondContact O-OG1 3.45Å; H372-S376 PolarHBondContact CE1-OG 3.46Å; H372-S376 PolarHBondContact ND1-OG 2.66Å; H372-S376 PolarHBondContact O-N 2.98Å; H372-S376 PolarHBondContact O-OG 2.97Å; H372-H377 AromaticContact CE1-CD2 3.71Å; H372-H377 AromaticContact CE1-NE2 3.3Å; H372-H377 PolarHBondContact CE1-NE2 3.25Å; H372-H377 VanDerWaalsContact CE1-NE2 3.3Å; H372-H377 AromaticContact NE2-CD2 3.7Å; H372-H377 AromaticContact NE2-NE2 3.35Å; H372-H377 PolarHBondContact NE2-NE2 3.05Å
373I93.5Very high82.2Confident56 Ų5673.9 Ų73.929%0.28742%0.421SS..Hα-helixtrans-55.9-48175.7-67.1166.5000110.2L369 R371 T375 H377 Q378L369-I373 HydrophobicContact CD1-CD1 3.82Å; L369-I373 HydrophobicContact CD1-CG1 4.08Å; L369-I373 HydrophobicContact CG-CD1 4.03Å; L369-I373 WeakPolarHBondContact O-CG1 3.49Å; L369-I373 PolarHBondContact O-N 2.94Å; R371-I373 PolarHBondContact O-N 3.19Å; I373-T375 VanDerWaalsContact C-N 3.26Å; I373-T375 PolarHBondContact O-N 3.02Å; I373-H377 PolarHBondContact O-N 3.07Å; I373-Q378 PolarHBondContact O-N 3.38Å
374R93.2Very high79.4Confident107 Ų10778 Ų7840%0.40445%0.449SS..Hα-helixtrans-67-17.8177.5-64.8-163.4-63.8-109.62.3115.3S370 R371 H372 Q378S370-R374 WeakPolarHBondContact O-CG 3.34Å; S370-R374 PolarHBondContact O-N 3.31Å; R371-R374 PolarHBondContact O-N 3.45Å; H372-R374 VanDerWaalsContact C-N 3.31Å; H372-R374 PolarHBondContact O-N 3.39Å; R374-Q378 VanDerWaalsContact CG-OE1 3.29Å
375T90.9Very high76.7Confident105 Ų10583.2 Ų83.264%0.64448%0.475SS*.Hα-helixtrans-107.4-14.8-177.355.40000115R371 H372 I373R371-T375 HydrophobicContact CG-CG2 4.45Å; R371-T375 WeakPolarHBondContact O-CG2 3.41Å; R371-T375 PolarHBondContact O-N 3.46Å; R371-T375 PolarHBondContact O-OG1 3.19Å; R371-T375 VanDerWaalsContact O-OG1 3.09Å; H372-T375 WeakPolarHBondContact CA-OG1 3.42Å; H372-T375 PolarHBondContact O-N 3.49Å; H372-T375 PolarHBondContact O-OG1 3.45Å; I373-T375 VanDerWaalsContact C-N 3.26Å; I373-T375 PolarHBondContact O-N 3.02Å
376S89Confident73.7Confident62 Ų6289.3 Ų89.343%0.43451%0.507SS..Hα-helixtrans-136.5-7.7-176.852.20000115.8H372H372-S376 PolarHBondContact CE1-OG 3.46Å; H372-S376 PolarHBondContact ND1-OG 2.66Å; H372-S376 PolarHBondContact O-N 2.98Å; H372-S376 PolarHBondContact O-OG 2.97Å
377H88Confident70.5Confident61 Ų6193.5 Ų93.528%0.28253%0.528SS..THydrogen-bonded Turntrans-127.2-25.5179.4-62.6-61.1000113.4L358 C359 H372 I373 A379L358-H377 VanDerWaalsContact C-CE1 3.48Å; L358-H377 HydrophobicContact CB-CB 4.38Å; L358-H377 HydrophobicContact CD1-CB 3.59Å; L358-H377 PolarHBondContact O-CE1 3.03Å; C359-H377 PolarHBondContact SG-NE2 3.2Å; C359-H377 VanDerWaalsContact SG-NE2 3.43Å; H372-H377 AromaticContact CE1-CD2 3.71Å; H372-H377 AromaticContact CE1-NE2 3.3Å; H372-H377 PolarHBondContact CE1-NE2 3.25Å; H372-H377 VanDerWaalsContact CE1-NE2 3.3Å; H372-H377 AromaticContact NE2-CD2 3.7Å; H372-H377 AromaticContact NE2-NE2 3.35Å; H372-H377 PolarHBondContact NE2-NE2 3.05Å; I373-H377 PolarHBondContact O-N 3.07Å; H377-A379 PolarHBondContact O-N 3.25Å
378Q79.9Confident67.6Low116 Ų11697.3 Ų97.354%0.54254%0.543SS..SBendtrans-72.1105.6160.7-70.4-172.2-26.300108.7I373 R374 K380I373-Q378 PolarHBondContact O-N 3.38Å; R374-Q378 VanDerWaalsContact CG-OE1 3.29Å; Q378-K380 PolarHBondContact O-N 3.12Å
379A63.6Low64.6Low95 Ų95100.5 Ų100.579%0.78557%0.569SS**  trans-52.9130.5161.500000108.2H377 A381H377-A379 PolarHBondContact O-N 3.25Å; A379-A381 PolarHBondContact O-N 3.27Å
380K56.2Low61.6Low173 Ų173107.7 Ų107.775%0.75261%0.607SS**  trans-65.8121.3174.4-67.5177.8-176.5172.30107.7Q378 T382Q378-K380 PolarHBondContact O-N 3.12Å; K380-T382 HydrophobicContact CB-CG2 4.07Å; K380-T382 WeakPolarHBondContact CB-OG1 3.32Å; K380-T382 HydrophobicContact CD-CG2 4.18Å; K380-T382 PolarHBondContact O-N 3.19Å; K380-T382 PolarHBondContact O-OG1 2.95Å
381A42.2Very low58.6Low110 Ų110112.8 Ų112.891%0.90964%0.637SS**  trans-72.952.2158.400000110.1A379 T383A379-A381 PolarHBondContact O-N 3.27Å; A381-T383 PolarHBondContact O-N 3.46Å
382T50.2Low55.4Low94 Ų94112 Ų11258%0.57765%0.651SS**  trans-78.710816136.70000106.4K380 V384K380-T382 HydrophobicContact CB-CG2 4.07Å; K380-T382 WeakPolarHBondContact CB-OG1 3.32Å; K380-T382 HydrophobicContact CD-CG2 4.18Å; K380-T382 PolarHBondContact O-N 3.19Å; K380-T382 PolarHBondContact O-OG1 2.95Å; T382-V384 PolarHBondContact O-N 3.41Å
383T37.9Very low52.4Low130 Ų130118.2 Ų118.280%0.79869%0.69SS**  trans-44.4123.8168.243.20000109.8A381 N385A381-T383 PolarHBondContact O-N 3.46Å; T383-N385 PolarHBondContact O-N 2.89Å
384V36.2Very low49.2Very low124 Ų124121.5 Ų121.575%0.75271%0.713SS**  trans-73.497.9178-1800000108.4T382T382-V384 PolarHBondContact O-N 3.41Å
385N34.9Very low46.1Very low140 Ų140121.5 Ų121.575%0.74973%0.729SS**  trans-133.3143.4153.5-88.7-20.9000106.6T383T383-N385 PolarHBondContact O-N 2.89Å
386N30.2Very low43.2Very low159 Ų159121.5 Ų121.585%0.8573%0.734SS**  trans64.371.1-176.3-54.3-2.2000114.2
387L27.8Very low40.3Very low157 Ų157123.4 Ų123.482%0.82275%0.747SS**  trans-11677.8163.5-168.286.7000110.2
388T32.6Very low37.5Very low124 Ų124126.5 Ų126.576%0.76177%0.77SS**  trans-139.7141.3175.244.50000110.8
389S32.3Very low35.2Very low113 Ų113129.2 Ų129.279%0.7979%0.787SS**SBendtrans74.9151-172.880.20000116.9
390L31.8Very low33.5Very low170 Ų170132.8 Ų132.889%0.8979%0.787SS**  trans68.553.2173.6-65.2162.3000117.5
391T31Very low32Very low131 Ų131129.7 Ų129.780%0.80479%0.787SS**  trans-76117.9154.945.50000111.7
392S27.2Very low31.3Very low109 Ų109132.7 Ų132.776%0.76279%0.786SS**  trans17.1116.2150.357.60000120.5
393T30.9Very low30.1Very low146 Ų146134.4 Ų134.490%0.89680%0.797SS**  trans-130.6152.6140.150.10000110
394T26.8Very low29.8Very low125 Ų125137.3 Ų137.377%0.76780%0.798SS**  trans-131.8163.3-179.5470000110.9
395S29.3Very low29.2Very low107 Ų107139.5 Ų139.575%0.74880%0.801SS**  trans71.9144.6164.439.80000120
396S30Very low28.8Very low106 Ų106138.6 Ų138.674%0.74181%0.805SS**  trans7890.4154.8-54.90000120.9
397S27.8Very low28.6Very low101 Ų101137 Ų13771%0.70680%0.801SS**  39.7140.2122.256.10000123.4
398T28.8Very low28.5Very low127 Ų127139 Ų13978%0.77980%0.804SS**  trans65.487.9153.835.50000118.8
399I32.2Very low28Very low173 Ų173140.6 Ų140.689%0.88781%0.807SS**  trans-128.3136.7134.9-64-178000106.8
400Q26.8Very low28.4Very low169 Ų169139.8 Ų139.879%0.7980%0.799SS**  trans-103.5162172.7-75.6177.2-50.800110.7
401S26Very low27.9Very low108 Ų108138.5 Ų138.576%0.75579%0.793SS**  trans44.8110157.257.40000119.1
402I27.4Very low27.5Very low174 Ų174143.8 Ų143.889%0.89280%0.798SS**  -142.1138.1120.6-98.4154.2000107.3
403T25.2Very low27.2Very low130 Ų130147.8 Ų147.880%0.79880%0.802SS**  trans-124.6121.117336.40000109.1
404K30.2Very low26.8Very low190 Ų190148.2 Ų148.283%0.82679%0.794SS**  trans179.4126.3148.2-101.9159.8-174.7-1760111.8
405Q25Very low26.5Very low171 Ų171147.9 Ų147.980%0.79980%0.797SS**  trans36.8161.4132.6-69.4168.9-37.600123.3
406S25.9Very low26.3Very low121 Ų121147.1 Ų147.185%0.84679%0.791SS**  trans86.4164.9169.579.30000117.4
407T25.4Very low26.1Very low124 Ų124149 Ų14976%0.76179%0.794SS**  trans-136-179.6-147.546.20000112.9
408F25.6Very low25.8Very low200 Ų200149.4 Ų149.488%0.87780%0.796SS**  trans81.4162.9173-83.9-89.6000119.1
409L23.1Very low25.7Very low157 Ų157151.7 Ų151.782%0.82280%0.802SS**  trans-109.9-162.4-164.9-64.4157.6000109.3
410P40.9Very low25.2Very low97 Ų97151.6 Ų151.663%0.6380%0.798SS**  -127.7-177.8-84.740.6-25.6000113.1
411N20.3Very low25.3Very low143 Ų143150.2 Ų150.277%0.76580%0.801SS**  trans66.5127.5166.8-53.1-27.6000116.9
412W22Very low25.2Very low241 Ų241149.4 Ų149.491%0.91380%0.795SS**  -162.2170.2107.6-116.352.9000112.2
413F21.4Very low25.4Very low193 Ų193147 Ų14785%0.84679%0.791SS**  trans-100.3151179-131.1-99.4000109.3
414Q22Very low25.5Very low155 Ų155148.4 Ų148.472%0.72479%0.792SS**  trans146.7144.7136.8-82.9-178.22.600114.1
415S22.5Very low25.2Very low118 Ų118144.3 Ų144.383%0.82579%0.787SS**  trans60.8159.9160.465.40000117.2
416S23.2Very low25.3Very low91 Ų91143.6 Ų143.664%0.63679%0.789SS**  cis-154154.8-25.948.50000105.7
417N27.7Very low25.2Very low147 Ų147143.7 Ų143.779%0.78679%0.785SS**  -169.216364.2-93.9-49.5000110.5
418S20.5Very low25.2Very low109 Ų109148.8 Ų148.876%0.76279%0.792SS**  trans-72.1133.5161.752.30000111.3
419L26Very low25.4Very low174 Ų174145.3 Ų145.391%0.91179%0.787SS**  trans-122.3132.8157.8-86.1173.2000109.5
420H22.5Very low25.6Very low171 Ų171147 Ų14779%0.79279%0.788SS**  trans-114.8102.5-163.4-160.6-71.1000109.5
421V28.6Very low24.8Very low140 Ų140150.7 Ų150.785%0.84880%0.801SS**  trans-135119.4172.3-176.20000109.4
422S25Very low25Very low91 Ų91153 Ų15364%0.63680%0.804SS**  trans-76.2153.5-179.9-55.70000111.8
423P30.7Very low25.2Very low125 Ų125147.4 Ų147.481%0.81280%0.802SS**  trans-80.1133.7-169.931.1-35.2000113.2S425P423-S425 PolarHBondContact O-N 2.89Å
424I27.9Very low25.4Very low159 Ų159143.3 Ų143.382%0.81580%0.797SS**  trans-77.7110.9161.1-64.6177.1000108.1
425S23.4Very low25.6Very low104 Ų104140.8 Ų140.873%0.72780%0.797SS**  trans-69.2126.3166.455.10000110.2P423P423-S425 PolarHBondContact O-N 2.89Å
426N26.5Very low25.8Very low156 Ų156143.2 Ų143.283%0.83480%0.8SS**  trans-138.6122156.9-119.5-28.9000110.1
427T24.7Very low26Very low123 Ų123147.7 Ų147.776%0.75581%0.811SS**  trans-90.5129.1-172.448.90000111.3
428Y25.5Very low25.9Very low231 Ų231149.3 Ų149.391%0.90681%0.814SS**  trans-136.1153.1150.6-114.2-85.1000111.6
429T29.2Very low26.1Very low126 Ų126149.6 Ų149.677%0.77381%0.811SS**  trans-79.4127.9-155.238.90000114L431T429-L431 PolarHBondContact O-N 3.02Å
430K26.6Very low26.2Very low194 Ų194148.5 Ų148.584%0.84381%0.805SS**  trans-88.189.6-176.1-166.3169.1-171.9168.30111.1K432K430-K432 PolarHBondContact O-N 3.32Å
431L24.6Very low26.2Very low173 Ų173148.3 Ų148.391%0.90680%0.804SS**  trans-55.6108172.8-81.3165.8000110.9T429T429-L431 PolarHBondContact O-N 3.02Å
432K25.2Very low25.9Very low191 Ų191149 Ų14983%0.8380%0.8SS**  trans-90.8106.3168.6-73.6-178.3178.2177.10109.2K430 S434K430-K432 PolarHBondContact O-N 3.32Å; K432-S434 PolarHBondContact O-N 3.05Å
433S25.2Very low26Very low125 Ų125152 Ų15287%0.87481%0.809SS**  trans-78.7102.2154.639.20000108.3
434S26.6Very low25.6Very low106 Ų106154.9 Ų154.974%0.74181%0.811SS**PPolyproline II helixtrans-74142.2-17947.40000112.5K432K432-S434 PolarHBondContact O-N 3.05Å
435S26.9Very low25.6Very low103 Ų103157.8 Ų157.872%0.7281%0.814SS**PPolyproline II helixtrans-59.6137.2170.953.30000112.7Q437S435-Q437 PolarHBondContact O-N 2.92Å
436N26.4Very low25.7Very low168 Ų168159.7 Ų159.790%0.89881%0.811SS**PPolyproline II helixtrans-60123.5169.1-66.6-13.5000110.8
437Q27.4Very low25.6Very low185 Ų185157.9 Ų157.986%0.86480%0.802SS**  trans-112.2172.8160.3-82.7-170-28.700110.5S435S435-Q437 PolarHBondContact O-N 2.92Å
438H23.9Very low25.6Very low181 Ų181162.9 Ų162.984%0.83881%0.807SS**  trans-80.2-179.6-166.8-108-105.6000114.6
439T26.1Very low25.5Very low115 Ų115157.5 Ų157.571%0.70680%0.801SS**  trans81.9103.5160.541.40000120.7
440I27.4Very low25.2Very low152 Ų152157.7 Ų157.778%0.77980%0.798SS**  49.3100.3118.8-54.7170.8000117.8
441E22.3Very low24.9Very low167 Ų167155.2 Ų155.278%0.7879%0.792SS**  36.4146.3116.1-104.7170.7-161.100123.2
442M22.1Very low24.9Very low153 Ų153155.4 Ų155.475%0.75479%0.789SS**  trans73.988.1163.3-58.9-64178.100118.7
443N27.2Very low24.8Very low156 Ų156156.3 Ų156.383%0.83479%0.792SS**  -173.9142.889.8-91.1-22000112.4
444E22.7Very low24.9Very low184 Ų184156 Ų15686%0.8679%0.79SS**  trans-87.4137.8164.1-63.1177.9119.100109.4
445Y27.1Very low25.5Very low221 Ų221156.5 Ų156.587%0.86779%0.791SS**  trans-151.8163.4148.9-124.9-84.8000111.1
446Q26.2Very low25.2Very low143 Ų143157.8 Ų157.867%0.66879%0.794SS**  trans-78.8156.8-148.6-67.3174.8-101.800118.2
447D24.8Very low25.3Very low119 Ų119159.8 Ų159.864%0.63680%0.795SS**  trans49117139.6-71.2-61.6000122.6
448R23.8Very low25.1Very low228 Ų228155.8 Ų155.886%0.8679%0.787SS**  35.9110124-59.1174.2171.7-158.7-1.2118.5
449C23.6Very low25.2Very low118 Ų118151.5 Ų151.580%0.79778%0.778SS**  -168.4120.3118.1-113.50000116.4
450N22.4Very low25.3Very low130 Ų130152.7 Ų152.770%0.69578%0.78SS**  42.9120.6126.1-77.3-7.8000125.2
451I21.7Very low25.3Very low142 Ų142152.1 Ų152.173%0.72878%0.778SS**  81.5154.9122.6-58.2167.2000118.9
452Q24.1Very low25.4Very low177 Ų177150.7 Ų150.783%0.82778%0.775SS**  trans76116.2-178.8-46.5-159.6-000114.1
453K22Very low25.7Very low210 Ų210151 Ų15191%0.91378%0.78SS**  cis61.999.121.2-73.1-166.8-179.3-175.10115.7
454S27.5Very low25.6Very low117 Ų117152 Ų15282%0.81878%0.779SS**  trans-148.6161.5158.368.10000109.3
455P39.2Very low26.2Very low118 Ų118146.9 Ų146.977%0.76678%0.776SS**  trans-129.2167.9-131.843.2-32.2000119.3
456V22Very low26.1Very low130 Ų130143.3 Ų143.379%0.78877%0.771SS**  trans-1.7134.6147.1-175.80000118.4
457K27.9Very low26.1Very low210 Ų210143.6 Ų143.691%0.91378%0.776SS**  trans-141.8168.7138.8-107.7178.7-177.4-177.20110.6
458S22.2Very low26.4Very low100 Ų100143.2 Ų143.270%0.69978%0.783SS**  trans-131.6-169.7-157.257.60000113.4
459S26Very low26.4Very low92 Ų92137.8 Ų137.864%0.64378%0.78SS**  trans100.9124.6148.2-46.30000119.3
460D29.7Very low26.7Very low139 Ų139141.8 Ų141.874%0.74378%0.784SS**  trans92.3107.4133.1-56.6-11.3000124.6
461L27.3Very low26.7Very low141 Ų141143.2 Ų143.274%0.73879%0.789SS**  72.6118.3121.2-63.9170.7000123.1
462N24.4Very low26.9Very low136 Ų136144.4 Ų144.473%0.72780%0.796SS**  trans18.8133130.9-55.7-6.4000120.3
463N28.5Very low26.9Very low161 Ų161144.5 Ų144.586%0.86179%0.793SS**  -166.8166.1103.7-107.8-32.3000115.2
464H25.4Very low27Very low175 Ų175139 Ų13981%0.8178%0.781SS**  trans-76.8153.7174.8-80.7-88.1000113.3
465G33.4Very low27Very low77 Ų77142.4 Ų142.479%0.79478%0.784SS**  trans-126.5141155.100000109.3
466I25.6Very low26.3Very low147 Ų147142 Ų14275%0.75478%0.784SS**  trans-129.4157.1-170.7-60.1176.6000109.8
467D26.5Very low26.5Very low148 Ų148139.4 Ų139.479%0.79178%0.784SS**  trans107.4164.9143.2-126.2-30.8000121.2
468S30.7Very low26.5Very low112 Ų112136.9 Ų136.978%0.78378%0.78SS**  trans86.179.8165.1-64.70000119.6
469S24.4Very low26.7Very low113 Ų113139 Ų13979%0.7978%0.784SS**  trans-62.7145.2161.2-58.30000114.9
470K29.4Very low26.6Very low202 Ų202141 Ų14188%0.87879%0.791SS**  trans-173.1107.8147.9-100.1150.3-173.9175.70108.1
471M22.5Very low26.4Very low161 Ų161140.7 Ų140.779%0.79380%0.799SS**  56.597.375.7-74.6-144.272.500116.2
472L27Very low26.1Very low167 Ų167142.9 Ų142.987%0.87481%0.807SS**  trans165.895.8141.9-91.7155.7000107.4
473K24.4Very low26.3Very low178 Ų178141.7 Ų141.777%0.77481%0.81SS**  489689.7-78-165.2173.9-174.40115.2
474S22.2Very low26.1Very low96 Ų96143.5 Ų143.567%0.67181%0.81SS**  trans41.6121.9134.958.50000120.5
475H28Very low25.9Very low187 Ų187143.1 Ų143.187%0.86681%0.811SS**  -159.9165112.7-109.4-72.4000113
476S24.8Very low25.7Very low110 Ų110146.3 Ų146.377%0.76981%0.81SS**  trans-84.6151.9176.949.10000112.9
477G26.2Very low25.6Very low76 Ų76146 Ų14678%0.78481%0.809SS**  trans-169.4128172.600000114.7
478N27.8Very low25.9Very low157 Ų157147.1 Ų147.184%0.8481%0.814SS**  trans-71.8157.6-169.3-59.7-14000116.5
479D26Very low25.6Very low145 Ų145149.6 Ų149.678%0.77581%0.813SS**  trans9.7142.2138.7-71.7-54.1000123.5
480V25.4Very low25.6Very low132 Ų132149.2 Ų149.280%0.881%0.81SS**  trans63109.4146179.20000119.4
481C25Very low25.3Very low134 Ų134145.8 Ų145.891%0.90581%0.807SS**  trans-159.4168.2135.8-112.90000113.7
482M20.3Very low25.6Very low186 Ų186142.3 Ų142.392%0.91680%0.798SS**  trans-106.8143.3-176.3-69.2-148.3-61.600114.6
483S28.3Very low25.5Very low111 Ų111138.1 Ų138.178%0.77678%0.776SS**  trans-159.4120.215544.30000108.7
484K24.8Very low25.6Very low200 Ų200132.3 Ų132.387%0.8775%0.754SS**  77.5115.771.5-88.5-171.2173.4-1800115.1
485M21.7Very low25.8Very low166 Ų166131.9 Ų131.982%0.81874%0.744SS**  trans30.8119.1144.2-67.2175.9163.900120.5
486N28.6Very low25.8Very low145 Ų145131.6 Ų131.678%0.77574%0.74SS**  -173.4135.1102.3-84.5-32000108
487L24Very low25.8Very low141 Ų141135.4 Ų135.474%0.73875%0.746SS**  cis81.69843-168.469.5000113.6
488L32Very low25.8Very low170 Ų170137.2 Ų137.289%0.8975%0.747SS**  trans-128.9162.9155-90.3166.8000108.4
489Q24.4Very low25.7Very low164 Ų164137 Ų13777%0.76675%0.745SS**  trans-114.2179.2-144.1-62174.3-34.100116
490S24.4Very low25.5Very low105 Ų105137 Ų13773%0.73474%0.743SS**  trans76.4106.9161.172.20000116.8
491T24.1Very low25.4Very low131 Ų131137.8 Ų137.880%0.80474%0.742SS**  64.9134.893.159.60000114.8
492S27.5Very low25.4Very low88 Ų88138.4 Ų138.462%0.61574%0.742SS**  cis-150.815921.273.60000112.1
493N25.5Very low25.7Very low78 Ų78133.3 Ų133.342%0.41774%0.738SS.*  60134.3105.3-69.321.1000115.8K526N493-K526 VanDerWaalsContact OD1-CD 3.28Å; N493-K526 WeakPolarHBondContact OD1-CD 3.38Å; N493-K526 WeakPolarHBondContact OD1-CE 3.45Å; N493-K526 PolarHBondContact OD1-NZ 2.79Å
494N26.8Very low25.5Very low57 Ų57133.5 Ų133.531%0.30574%0.739SS.*  cis-149-135.7-20.8-11-115.2000115.4P524 I525N494-P524 WeakPolarHBondContact ND2-CD 3.39Å; N494-I525 WeakPolarHBondContact CB-O 3.47Å; N494-I525 PolarHBondContact ND2-N 2.86Å; N494-I525 VanDerWaalsContact ND2-N 3.16Å; N494-I525 VanDerWaalsContact OD1-CA 3.31Å; N494-I525 WeakPolarHBondContact OD1-CA 3.38Å; N494-I525 PolarHBondContact OD1-N 3.34Å
495N26.8Very low25.6Very low87 Ų87130.2 Ų130.247%0.46574%0.74SS.*  trans-87.6174.5-150.1-52.3-49.7000122.8P524 I525N495-P524 HydrophobicContact CB-CB 4.03Å; N495-P524 PolarHBondContact ND2-O 3.47Å; N495-P524 WeakPolarHBondContact O-CG 3.32Å; N495-I525 PolarHBondContact ND2-O 3.12Å; N495-I525 PolarHBondContact OD1-O 2.84Å
496K27.9Very low25.9Very low180 Ų180129.9 Ų129.978%0.78374%0.74SS**  trans68.1101.5135.8-84.9169.3-179.5177.50123.6
497Q24.8Very low25.8Very low190 Ų190129.8 Ų129.889%0.88874%0.739SS**  23.4107.9125.6-64.9177.6-35.100122.6
498S26.1Very low25.9Very low115 Ų115129.6 Ų129.680%0.80474%0.739SS**  -175.4116.7126.756.50000108.6
499N24.4Very low25.5Very low151 Ų151129.5 Ų129.581%0.80774%0.738SS**  79.8138.666.9-157.917.9000114.5
500M22.9Very low25.5Very low146 Ų146129.9 Ų129.972%0.71974%0.74SS**  trans8199.9179.4-66.6-65.317900121.5
501N22.8Very low25.5Very low148 Ų148131.8 Ų131.879%0.79174%0.742SS**  41.4116.9127.7-63.8-9.5000123.3
502T24.5Very low25.7Very low147 Ų147132 Ų13290%0.90274%0.743SS**  trans-143.4145.1145.854.90000108.3
503G26.7Very low26.2Very low80 Ų80133.3 Ų133.383%0.82575%0.75SS**  cis-174.4160.6-5.200000109.2
504S25.1Very low26.2Very low115 Ų115135 Ų13580%0.80477%0.767SS**  trans-115150.1178.31800000111
505C25.5Very low26Very low131 Ų131143.3 Ų143.389%0.88580%0.796SS**  trans-61.5148.5-177.6-56.80000113.3
506I28.3Very low25.9Very low158 Ų158146.4 Ų146.481%0.8181%0.812SS**  trans-106.9149.1-175.7-68.7172.6000110.4
507N26.3Very low25.7Very low143 Ų143144.2 Ų144.277%0.76581%0.809SS**  trans-107.6146.2165.8-103.5-9000110.8
508N26.8Very low25.8Very low138 Ų138144.4 Ų144.474%0.73881%0.807SS**  trans71.7136.5155.3-69.8-7.2000122.3
509L23.6Very low25.6Very low168 Ų168145.2 Ų145.288%0.8881%0.807SS**  trans72.2146.2150.7-97.472.1000121.1
510Q23.7Very low25.5Very low171 Ų171145.5 Ų145.580%0.79981%0.808SS**  trans-108142.6174.2-58.8161-60.200108.5
511N25.7Very low25.4Very low145 Ų145146.8 Ų146.878%0.77581%0.812SS**  172.6130.5126.9-90.6-20.1000114
512T26.9Very low25.3Very low135 Ų135148.4 Ų148.483%0.82882%0.817SS**  trans66.5154.6152.452.40000119.9
513P39.6Very low25.3Very low117 Ų117147.6 Ų147.676%0.7680%0.803SS**  trans-128.8166.2-148.341.8-27000116.9
514S24.5Very low26Very low112 Ų112146.1 Ų146.178%0.78378%0.779SS**  trans-157.3130.6154.8-37.10000113.7
515Y22.7Very low26.1Very low233 Ų233146.5 Ų146.591%0.91477%0.771SS**  trans61145158-78.6-85.5000123.1
516L25.4Very low25.9Very low151 Ų151146.5 Ų146.579%0.79176%0.756SS**  trans-106.1152.2175-63.691.8000111.7
517N24.4Very low25.9Very low135 Ų135148.5 Ų148.572%0.72276%0.759SS**  -177.3145109.1-103.7-63.7000116.5
518K24.9Very low25.7Very low193 Ų193147.8 Ų147.884%0.83976%0.76SS**  trans63.3132.5144.7-74.6173.4-176.1-176.20123.5
519T22Very low25.6Very low132 Ų132146.2 Ų146.281%0.8176%0.759SS**  trans-96178.7-174.1-70000113.8
520L24.1Very low25.7Very low157 Ų157146.3 Ų146.382%0.82276%0.759SS**  trans103.9156147.2-83.4163.5000120.8
521Q20.3Very low25.7Very low174 Ų174144.8 Ų144.881%0.81376%0.757SS**  trans-102.8171-165.8-55.6162.1-35.900111.6
522M20.4Very low25.6Very low182 Ų182142 Ų14290%0.89775%0.748SS**  trans-162.2167.6143.6-112.7-55159.900114.2
523E24.3Very low25.4Very low129 Ų129143.7 Ų143.760%0.60375%0.747SS**  trans-100.6158.7-174.6-83.4-160.4175.600116.1
524P40.5Very low24.6Very low50 Ų50145.5 Ų145.533%0.32575%0.745SS.*  trans-123.524.6-1441.326.4000122.1N494 N495N494-P524 WeakPolarHBondContact ND2-CD 3.39Å; N495-P524 HydrophobicContact CB-CB 4.03Å; N495-P524 PolarHBondContact ND2-O 3.47Å; N495-P524 WeakPolarHBondContact O-CG 3.32Å
525I28.4Very low24.5Very low122 Ų122148.3 Ų148.363%0.62674%0.74SS**  trans76.6152.9167.3-56.1160.2000119.4N494 N495N494-I525 WeakPolarHBondContact CB-O 3.47Å; N494-I525 PolarHBondContact ND2-N 2.86Å; N494-I525 VanDerWaalsContact ND2-N 3.16Å; N494-I525 VanDerWaalsContact OD1-CA 3.31Å; N494-I525 WeakPolarHBondContact OD1-CA 3.38Å; N494-I525 PolarHBondContact OD1-N 3.34Å; N495-I525 PolarHBondContact ND2-O 3.12Å; N495-I525 PolarHBondContact OD1-O 2.84Å
526K20.5Very low24.4Very low131 Ų131145.3 Ų145.357%0.5773%0.734SS**  trans-119.2166.8175.4-89.6178.3173.3154.50112.3N493N493-K526 VanDerWaalsContact OD1-CD 3.28Å; N493-K526 WeakPolarHBondContact OD1-CD 3.38Å; N493-K526 WeakPolarHBondContact OD1-CE 3.45Å; N493-K526 PolarHBondContact OD1-NZ 2.79Å
527F28.9Very low24.2Very low201 Ų201144 Ų14488%0.88273%0.732SS**  trans-159.4177.7146.7-108.3-66.8000114.2
528T23.2Very low24.2Very low128 Ų128145.3 Ų145.379%0.78574%0.739SS**  trans-123.8177.4-163.747.90000114.7
529S22.8Very low24.1Very low104 Ų104146 Ų14673%0.72774%0.738SS**  trans-69.8157-179.651.70000116.5
530I27.7Very low24.2Very low171 Ų171144.5 Ų144.588%0.87773%0.733SS**  trans-154.1167.1151.1-102.6154.2000108.6
531N22.7Very low24.8Very low139 Ų139141.9 Ų141.974%0.74373%0.725SS**  trans-101176.9-159.9-63.7-23.6000115.9
532S23.3Very low24.9Very low86 Ų86140.4 Ų140.460%0.60172%0.723SS**  trans76.7137.2132.751.10000122.3
533E22.9Very low25Very low171 Ų171139 Ų13980%0.79972%0.719SS**  trans63.7134.1146.9-73.1138.4-135.200118.1
534E22.2Very low25Very low154 Ų154138.9 Ų138.972%0.7272%0.722SS**  cis-174.2176.214.7-132-178.1179.100110.3
535Y22.4Very low24.2Very low172 Ų172144 Ų14468%0.67574%0.744SS**  trans58.6113.2159.8-83.6-79.9000125
536Q22Very low24.1Very low169 Ų169144.7 Ų144.779%0.7975%0.749SS**  trans74.4114.6137.9-93.6165.4-3.900122.5
537T20.1Very low24.4Very low123 Ų123149 Ų14976%0.75576%0.762SS**  trans-65.9145.4150.748.30000112.2
538D25.6Very low24.3Very low163 Ų163143.9 Ų143.987%0.87275%0.75SS**  -155.6170.9129.7-124.4-32.8000113.4
539Y21.7Very low24.3Very low208 Ų208143.4 Ų143.482%0.81675%0.747SS**  trans-110.5126.6-159-116.7-94.5000115.6
540S25.1Very low24.3Very low101 Ų101145 Ų14571%0.70675%0.748SS**  trans63.4172.8152.4-76.80000118.6
541P36.3Very low24Very low101 Ų101145.8 Ų145.866%0.65674%0.741SS**  -133.1-170.8-54.140-24.6000112.7
542N22.1Very low24Very low144 Ų144144.4 Ų144.477%0.7773%0.733SS**  trans69.494.4162.1-61.3-17.3000118.9
543N23.1Very low24Very low152 Ų152147.7 Ų147.781%0.81374%0.736SS**  trans-171.1161.1147.4-99.5-22.7000107.5
544L23Very low23.9Very low126 Ų126145.6 Ų145.666%0.6673%0.726SS**  cis-168.9167.3-26.6-164.961.3000106.2
545M25Very low23.9Very low158 Ų158145 Ų14578%0.77872%0.723SS**  trans66.4160.6170.2-53.1-52.9-172.800115.1
546D25Very low23.9Very low136 Ų136142.8 Ų142.873%0.72772%0.719SS**  cis-146.7134.410.3-158.2-10.2000112.4
547R27.6Very low24Very low223 Ų223142 Ų14284%0.84272%0.715SS**  165.9131.3127.6-94.1174.9170.7170.6-1.9115.2
548S26.5Very low24.3Very low92 Ų92142 Ų14264%0.64371%0.711SS**  trans38109.3149.759.30000118.7
549T23.1Very low24.1Very low118 Ų118142.4 Ų142.472%0.72471%0.705SS**  cis63.2142.948.782.40000116.1
550N22.3Very low24.5Very low138 Ų138138 Ų13874%0.73870%0.695SS**  trans74.1127.1170.1-59.3-19.7000115.4
551Y21.9Very low24.5Very low187 Ų187140.9 Ų140.973%0.73370%0.697SS**  cis-147.4144.817.3-119-150.6000109.3
552I23.6Very low24Very low111 Ų111142.8 Ų142.857%0.56970%0.702SS**  65134.681.6-67.1-169000113.3
553K21.7Very low24Very low155 Ų155142.9 Ų142.967%0.67470%0.702SS**  cis-170.5166.2-9.7-110.2-176.8-179.6-173.70108.8
554H20.8Very low24.2Very low127 Ų127142.4 Ų142.459%0.58870%0.699SS**  trans62.1175.8153.9-70.8-154000115.2
555E23.8Very low24.1Very low142 Ų142145.2 Ų145.266%0.66471%0.706SS**  cis-138.5126.7-0.5-138.8116.5-136.500106.9
556Q22.5Very low24.2Very low124 Ų124147.7 Ų147.758%0.57971%0.713SS**  62.5137.799.4-64.4-174.527.400118
557Q22.4Very low24.1Very low153 Ų153146.3 Ų146.372%0.71571%0.71SS**  trans60.7126.6144.4-68.1167.126.100117.6
558N26.8Very low23.9Very low123 Ų123144.5 Ų144.566%0.65871%0.711SS**  cis-149.1160.433.9-90.5-40.9000110.2
559K22.8Very low23.6Very low171 Ų171148.4 Ų148.474%0.74372%0.723SS**  59.2131.463.8-87.9-173.6174.6-156.50112.2
560D28.8Very low23.6Very low116 Ų116151.7 Ų151.762%0.6273%0.73SS**  cis-137138.816.9-68.6-61.2000110.7
561E25.1Very low23.5Very low161 Ų161149.6 Ų149.675%0.75273%0.726SS**  94.315297.4-76-167.7165.900117.3
562N26.6Very low23.4Very low142 Ų142153.3 Ų153.376%0.75974%0.739SS**  trans74.495.5175.5-61.7-63.5000116.7
563L22.2Very low23.4Very low146 Ų146153 Ų15376%0.76475%0.746SS**  87.1145.852.1-150.791.3000112.8
564N27.2Very low23.5Very low141 Ų141151.1 Ų151.175%0.75475%0.753SS**  trans65.1102-170.9-54.8-20.6000112.8
565K21.3Very low23.8Very low185 Ų185154.6 Ų154.680%0.80476%0.763SS**  cis59.67830.8-160.7-167-179.7-174.20113.4
566F25.5Very low24.2Very low211 Ų211155.8 Ų155.893%0.92577%0.766SS**  trans-134.2127.7135.5-113.2-80.6000109.8
567T24Very low24.7Very low107 Ų107155 Ų15566%0.65677%0.771SS**  trans-91.4136.1172.541.80000108.9
568E23.9Very low25.3Very low185 Ų185153.6 Ų153.686%0.86477%0.768SS**  179.6127.9117.4-97.1163.7-174.600110.9
569I20Very low25.9Very low173 Ų173152.1 Ų152.189%0.88776%0.764SS**  trans-126.3103.4162.1-64.8175.3000105.5
570E21.7Very low26.8Very low188 Ų188148.4 Ų148.488%0.87976%0.756SS**  trans-164.4146.5159-103.1-178.5-137.200107.3
571S21.8Very low27.6Very low94 Ų94148.1 Ų148.166%0.65775%0.753SS**  cis-147.4156.5-1457.80000109.6
572W18.9Very low28.9Very low264 Ų264144.1 Ų144.1100%174%0.74SS**  trans-100.299.3173.7-90.130.3000110.3S574W572-S574 PolarHBondContact O-N 2.82Å
573S23.8Very low29.5Very low104 Ų104141.8 Ų141.873%0.72773%0.727SS**  trans-83.292.9175.259.50000111.8Y575S573-Y575 PolarHBondContact O-N 2.73Å
574S23.7Very low30.4Very low117 Ų117140.7 Ų140.782%0.81872%0.721SS**  trans-75.6105.4177.458.40000112.3W572W572-S574 PolarHBondContact O-N 2.82Å
575Y27.8Very low31.2Very low200 Ų200139.6 Ų139.678%0.78471%0.712SS**  trans-110.7113.7-179.4-115.5-107.1000114.5S573S573-Y575 PolarHBondContact O-N 2.73Å
576K30.4Very low32.3Very low167 Ų167136.9 Ų136.973%0.72670%0.703SS**  trans31.3129.4154.5-61.8-175.6179.7-179.40121.3
577P32.9Very low33Very low106 Ų106133.4 Ų133.469%0.68869%0.688SS**  trans-84.5130169.233.8-32.6000113.4T579P577-T579 PolarHBondContact O-N 2.92Å
578N35.1Very low34.2Very low125 Ų125132 Ų13267%0.66868%0.683SS**  trans-93.152.1178.3-91.3-12.9000113.9T582N578-T582 PolarHBondContact O-OG1 3.45Å
579T41.3Very low35.2Very low92 Ų92127.7 Ų127.756%0.56467%0.666SS**Hα-helixtrans-93-11.5177.949.70000114.6P577 T582 L583P577-T579 PolarHBondContact O-N 2.92Å; T579-T582 PolarHBondContact O-OG1 2.94Å; T579-L583 WeakPolarHBondContact O-CG 3.47Å
580T40.8Very low36.3Very low93 Ų93125.9 Ų125.957%0.57165%0.649SS**Hα-helixtrans-78.9-41.1174.741.20000112.3T582 L583 L584T580-T582 PolarHBondContact O-N 2.79Å; T580-L583 PolarHBondContact O-N 3.19Å; T580-L584 WeakPolarHBondContact O-CD1 3.34Å; T580-L584 PolarHBondContact O-N 2.83Å
581L46Very low36.9Very low109 Ų109126.2 Ų126.257%0.57164%0.642SS**Hα-helixtrans-63.4-42.9-179.2-175.362000112L583 L584 Q585L581-L583 VanDerWaalsContact C-N 3.32Å; L581-L583 PolarHBondContact O-N 2.91Å; L581-L584 PolarHBondContact O-N 2.9Å; L581-Q585 WeakPolarHBondContact O-CB 3.24Å; L581-Q585 PolarHBondContact O-N 3.21Å
582T51.5Low37.7Very low77 Ų77127 Ų12747%0.47264%0.638SS.*Hα-helixtrans-63.2-35.8175.233.30000112.5N578 T579 T580 Q585 M586N578-T582 PolarHBondContact O-OG1 3.45Å; T579-T582 PolarHBondContact O-OG1 2.94Å; T580-T582 PolarHBondContact O-N 2.79Å; T582-Q585 PolarHBondContact O-N 2.85Å; T582-M586 WeakPolarHBondContact O-CG 3.26Å; T582-M586 PolarHBondContact O-N 2.88Å
583L39.8Very low38.6Very low93 Ų93120.8 Ų120.849%0.48762%0.62SS.*Hα-helixtrans-69-43.6172.9-76.7170.5000112.5T579 T580 L581 Q585 M586 F587T579-L583 WeakPolarHBondContact O-CG 3.47Å; T580-L583 PolarHBondContact O-N 3.19Å; L581-L583 VanDerWaalsContact C-N 3.32Å; L581-L583 PolarHBondContact O-N 2.91Å; L583-Q585 VanDerWaalsContact C-N 3.29Å; L583-Q585 PolarHBondContact O-N 3.13Å; L583-M586 WeakPolarHBondContact O-CB 3.22Å; L583-M586 PolarHBondContact O-N 3.27Å; L583-F587 WeakPolarHBondContact O-CD2 3.5Å; L583-F587 PolarHBondContact O-N 2.81Å
584L40.4Very low39Very low123 Ų123120.2 Ų120.264%0.64461%0.609SS**Hα-helixtrans-60-40.5173.4-94.998.1000111.8T580 L581 M586 F587 S588T580-L584 WeakPolarHBondContact O-CD1 3.34Å; T580-L584 PolarHBondContact O-N 2.83Å; L581-L584 PolarHBondContact O-N 2.9Å; L584-M586 VanDerWaalsContact C-N 3.35Å; L584-M586 PolarHBondContact O-N 2.93Å; L584-F587 PolarHBondContact O-N 2.99Å; L584-S588 PolarHBondContact O-N 2.62Å
585Q45.2Very low39.5Very low119 Ų119118.9 Ų118.956%0.55660%0.599SS**Hα-helixtrans-67.6-34.6178.4-157.4168.415.100111.9L581 T582 L583 N589L581-Q585 WeakPolarHBondContact O-CB 3.24Å; L581-Q585 PolarHBondContact O-N 3.21Å; T582-Q585 PolarHBondContact O-N 2.85Å; L583-Q585 VanDerWaalsContact C-N 3.29Å; L583-Q585 PolarHBondContact O-N 3.13Å; Q585-N589 WeakPolarHBondContact O-CB 3.41Å; Q585-N589 VanDerWaalsContact O-CG 3.3Å; Q585-N589 PolarHBondContact O-N 3.03Å; Q585-N589 VanDerWaalsContact O-N 3.1Å; Q585-N589 PolarHBondContact O-ND2 3.01Å
586M43.7Very low39.7Very low127 Ų127117.3 Ų117.363%0.62660%0.596SS**Hα-helixtrans-63.9-43.7168.3-75.6179.266.600112.6T582 L583 L584 N589 Y590T582-M586 WeakPolarHBondContact O-CG 3.26Å; T582-M586 PolarHBondContact O-N 2.88Å; L583-M586 WeakPolarHBondContact O-CB 3.22Å; L583-M586 PolarHBondContact O-N 3.27Å; L584-M586 VanDerWaalsContact C-N 3.35Å; L584-M586 PolarHBondContact O-N 2.93Å; M586-N589 PolarHBondContact O-N 3.26Å; M586-Y590 WeakPolarHBondContact O-CB 3.43Å; M586-Y590 PolarHBondContact O-N 3.29Å
587F39.8Very low39.8Very low138 Ų138115.6 Ų115.661%0.60560%0.595SS**Hα-helixtrans-66.8-37.3178.2-78.1-64.3000113L583 L584 Y590 W591L583-F587 WeakPolarHBondContact O-CD2 3.5Å; L583-F587 PolarHBondContact O-N 2.81Å; L584-F587 PolarHBondContact O-N 2.99Å; F587-Y590 PolarHBondContact O-N 3.25Å; F587-W591 PolarHBondContact O-N 3.36Å; F587-W591 VanDerWaalsContact O-N 3.1Å
588S49.2Very low39.6Very low77 Ų77113.9 Ų113.954%0.53860%0.597SS.*Hα-helixtrans-60.6-48.3172.4-177.30000111.5L584 Y590 W591 L592L584-S588 PolarHBondContact O-N 2.62Å; S588-Y590 VanDerWaalsContact C-N 3.34Å; S588-Y590 PolarHBondContact O-N 3.15Å; S588-W591 PolarHBondContact O-N 3.04Å; S588-L592 PolarHBondContact O-N 3.38Å; S588-L592 VanDerWaalsContact O-N 3.08Å
589N45.5Very low39.2Very low96 Ų96116 Ų11651%0.51361%0.606SS.*Hα-helixtrans-65.5-34177.7-72.2-23.1000113.1Q585 M586 L592 Q593Q585-N589 WeakPolarHBondContact O-CB 3.41Å; Q585-N589 VanDerWaalsContact O-CG 3.3Å; Q585-N589 PolarHBondContact O-N 3.03Å; Q585-N589 VanDerWaalsContact O-N 3.1Å; Q585-N589 PolarHBondContact O-ND2 3.01Å; M586-N589 PolarHBondContact O-N 3.26Å; N589-L592 PolarHBondContact O-N 2.96Å; N589-Q593 PolarHBondContact O-N 2.8Å; N589-Q593 VanDerWaalsContact O-N 3.08Å
590Y43.5Very low38.4Very low134 Ų134119.4 Ų119.453%0.52562%0.62SS.*Hα-helixtrans-67.3-41.7176.7-173.4-111.6000112.2M586 F587 S588 L592 Q593 L594M586-Y590 WeakPolarHBondContact O-CB 3.43Å; M586-Y590 PolarHBondContact O-N 3.29Å; F587-Y590 PolarHBondContact O-N 3.25Å; S588-Y590 VanDerWaalsContact C-N 3.34Å; S588-Y590 PolarHBondContact O-N 3.15Å; Y590-L592 VanDerWaalsContact C-N 3.33Å; Y590-L592 PolarHBondContact O-N 2.79Å; Y590-Q593 PolarHBondContact O-N 3Å; Y590-L594 HydrophobicContact CD1-CD1 4.08Å; Y590-L594 HydrophobicContact CE1-CD1 3.74Å; Y590-L594 PolarHBondContact O-N 3.14Å; Y590-L594 VanDerWaalsContact O-N 3.16Å
591W32.9Very low37.7Very low195 Ų195122.3 Ų122.374%0.73963%0.632SS**Hα-helixtrans-62.7-39171.7-104.383.3000112.3F587 S588 Q593 L594 S595F587-W591 PolarHBondContact O-N 3.36Å; F587-W591 VanDerWaalsContact O-N 3.1Å; S588-W591 PolarHBondContact O-N 3.04Å; W591-Q593 VanDerWaalsContact C-N 3.25Å; W591-Q593 PolarHBondContact O-N 3.28Å; W591-L594 PolarHBondContact O-N 2.87Å; W591-S595 PolarHBondContact O-N 3.31Å
592L39.7Very low36.5Very low110 Ų110121.6 Ų121.658%0.57664%0.636SS**Hα-helixtrans-71.4-15.5177.7-142.778.9000114.2S588 N589 Y590 S595S588-L592 PolarHBondContact O-N 3.38Å; S588-L592 VanDerWaalsContact O-N 3.08Å; N589-L592 PolarHBondContact O-N 2.96Å; Y590-L592 VanDerWaalsContact C-N 3.33Å; Y590-L592 PolarHBondContact O-N 2.79Å; L592-S595 PolarHBondContact O-OG 3.29Å
593Q38.2Very low35.1Very low134 Ų134123.3 Ų123.363%0.62665%0.652SS**Hα-helixtrans-83.6-39.4168-77.2-172.4-36.800111.9N589 Y590 W591 S595 K596N589-Q593 PolarHBondContact O-N 2.8Å; N589-Q593 VanDerWaalsContact O-N 3.08Å; Y590-Q593 PolarHBondContact O-N 3Å; W591-Q593 VanDerWaalsContact C-N 3.25Å; W591-Q593 PolarHBondContact O-N 3.28Å; Q593-S595 VanDerWaalsContact C-N 3.29Å; Q593-S595 PolarHBondContact O-N 3.34Å; Q593-K596 PolarHBondContact O-N 2.99Å; Q593-K596 VanDerWaalsContact O-N 3.13Å
594L31.2Very low34.3Very low93 Ų93123.3 Ų123.349%0.48766%0.66SS.*Hα-helixtrans-64.1-33.6179-73.4169.1000112.5Y590 W591 K596 N597Y590-L594 HydrophobicContact CD1-CD1 4.08Å; Y590-L594 HydrophobicContact CE1-CD1 3.74Å; Y590-L594 PolarHBondContact O-N 3.14Å; Y590-L594 VanDerWaalsContact O-N 3.16Å; W591-L594 PolarHBondContact O-N 2.87Å; L594-K596 PolarHBondContact O-N 3.07Å; L594-K596 VanDerWaalsContact O-N 3.16Å; L594-N597 PolarHBondContact O-N 3.44Å
595S34.4Very low33.7Very low88 Ų88125 Ų12562%0.61566%0.664SS**THydrogen-bonded Turntrans-70.9-1.3175.367.20000115W591 L592 Q593W591-S595 PolarHBondContact O-N 3.31Å; L592-S595 PolarHBondContact O-OG 3.29Å; Q593-S595 VanDerWaalsContact C-N 3.29Å; Q593-S595 PolarHBondContact O-N 3.34Å
596K33Very low33Very low167 Ų167125.2 Ų125.273%0.72667%0.674SS**THydrogen-bonded Turntrans-107.7-5.1179.1-70-169175.6-173.30114.9Q593 L594 G598Q593-K596 PolarHBondContact O-N 2.99Å; Q593-K596 VanDerWaalsContact O-N 3.13Å; L594-K596 PolarHBondContact O-N 3.07Å; L594-K596 VanDerWaalsContact O-N 3.16Å; K596-G598 VanDerWaalsContact C-N 3.3Å; K596-G598 PolarHBondContact O-N 3.22Å
597N30.8Very low32Very low131 Ų131127 Ų12770%0.70169%0.686SS**  trans-9546.9178.1-71.1-10.4000112.4L594 I599L594-N597 PolarHBondContact O-N 3.44Å; N597-I599 PolarHBondContact O-N 3.04Å
598G30.1Very low31.4Very low70 Ų70128.8 Ų128.872%0.72270%0.7SS**  trans-71.4112.9164.300000109.3K596K596-G598 VanDerWaalsContact C-N 3.3Å; K596-G598 PolarHBondContact O-N 3.22Å
599I26.5Very low30.3Very low169 Ų169131.9 Ų131.987%0.86771%0.711SS**  trans-74.7134.1-177.1-66.4177.1000110N597N597-I599 PolarHBondContact O-N 3.04Å
600L24.5Very low29.2Very low164 Ų164131.5 Ų131.586%0.85972%0.716SS**  trans-57.2145.4-179.8-69.8156.4000112.7
601N25.4Very low28.2Very low154 Ų154136.4 Ų136.482%0.82473%0.733SS**  trans-135.7119.1155.4-127.7-2.9000110.6
602S21.6Very low28.1Very low94 Ų94134 Ų13466%0.65774%0.74SS**  trans43.6129.4155.258.80000122.4
603S22.1Very low27.3Very low113 Ų113135 Ų13579%0.7975%0.751SS**  trans65.9143.6151.740.20000119
604S23.5Very low26.7Very low94 Ų94136.2 Ų136.266%0.65776%0.76SS**  cis-156.1-178.1-3.244.80000111.5
605H27.8Very low26.2Very low159 Ų159135.9 Ų135.974%0.73677%0.77SS**  trans72.179168.8-62.5-65.7000119.6
606T28.8Very low25.6Very low123 Ų123136.8 Ų136.876%0.75578%0.777SS**  42.6112.2116.855.10000119.4
607N22.7Very low25.2Very low165 Ų165136.5 Ų136.588%0.88278%0.782SS**  trans-41.1142.4141.4-76.3-44.5000111.7
608L28.6Very low24.8Very low174 Ų174137.3 Ų137.391%0.91179%0.786SS**  trans-150.9166.2133.1-114.4170.1000110.3
609D26.1Very low24.6Very low142 Ų142139 Ų13976%0.75978%0.784SS**  trans-86170-153.4-141.8-51.8000114.9
610S22.3Very low24.4Very low89 Ų89135.7 Ų135.762%0.62278%0.776SS**SBendtrans-61.2158.4171.863.20000114.6
611R23.2Very low24.5Very low236 Ų236137 Ų13789%0.89178%0.775SS**  trans66.185.4165.5-62.1176.6165.5-175.1-4.2117.4
612T29.3Very low24.3Very low144 Ų144136.6 Ų136.688%0.88377%0.772SS**  trans-117.5124.1141.8-510000108.9
613V23.7Very low24.4Very low132 Ų132141.6 Ų141.680%0.878%0.783SS**  trans-104.7122.4172.8172.10000108.3
614I24.6Very low24.5Very low160 Ų160147 Ų14782%0.82179%0.786SS**  trans-170.4147.7149.6-102152.3000107.9
615A20.4Very low24.3Very low85 Ų85150.1 Ų150.170%0.70280%0.795SS**  trans-97.7174.9178.900000111.9
616S22.5Very low24.2Very low107 Ų107147.5 Ų147.575%0.74880%0.795SS**  trans71142.6-16980.90000113.3
617L25.5Very low23.9Very low161 Ų161148.4 Ų148.484%0.84380%0.8SS**  cis-124.8138.413.7-71.5152.6000112.6
618L20.9Very low24.2Very low148 Ų148147.6 Ų147.678%0.77579%0.794SS**  trans-80.5149146.9-84.3161.7000107.6
619P27Very low23.7Very low105 Ų105147.2 Ų147.268%0.68279%0.793SS**  -13913697.135.9-23.6000114.1
620S22.5Very low23.7Very low100 Ų100145.5 Ų145.570%0.69979%0.792SS**  trans-70.5136161.3-45.40000109.7
621F26.2Very low23.7Very low193 Ų193147.5 Ų147.585%0.84680%0.801SS**  trans-117.7130.5163.2-100.2-87.3000110.4
622L21.4Very low23.9Very low145 Ų145146.3 Ų146.376%0.75980%0.802SS**  trans-104.7178176.3-74.8170.1000110.2
623F22.8Very low23.5Very low199 Ų199148 Ų14887%0.87380%0.8SS**  trans75.7149.2-177-60.1-88.5000113.9
624R25.1Very low23.4Very low226 Ų226146.4 Ų146.485%0.85380%0.795SS**  cis-147.6145.319.4-153.9178-169.5173.22.2112.7
625N18.2Very low23.5Very low159 Ų159146.5 Ų146.585%0.8580%0.797SS**  trans-76.9141.9162.2-75.7-9.2000110.5
626S26.4Very low23.4Very low105 Ų105149.3 Ų149.373%0.73480%0.8SS**  trans-158.5107.6153.855.50000111.4
627T21.9Very low23.6Very low142 Ų142151.2 Ų151.287%0.87181%0.808SS**  trans-72.1138.416545.80000110.5
628I29.2Very low23.3Very low148 Ų148148.8 Ų148.876%0.75980%0.804SS**  trans-131.4118.8163-62.6-179.7000108.2
629N19.2Very low23.4Very low166 Ų166146.5 Ų146.589%0.88880%0.801SS**  trans-92.8136.9160.4-78.6-7.6000108.2
630S25.5Very low23.1Very low105 Ų105146.8 Ų146.873%0.73481%0.805SS**  trans-150.5106.5160.458.10000109.9
631T21.3Very low23.4Very low131 Ų131148.8 Ų148.880%0.80481%0.813SS**  trans-66.4146.1165.544.20000110.4
632F27.3Very low23.2Very low211 Ų211148.2 Ų148.293%0.92581%0.81SS**  trans-141.4144.7156.8-120.6-84.5000109.8
633E22.2Very low23.2Very low180 Ų180146.5 Ų146.584%0.84180%0.802SS**  trans-97.9176.6-165.6-67.3177.2117.500113.6
634S21.8Very low23.4Very low98 Ų98144.9 Ų144.969%0.68580%0.802SS**  trans-48.7154.1174.851.70000115.7
635N25.5Very low23.2Very low163 Ų163140.9 Ų140.987%0.87279%0.793SS**  trans-149.7126.3133.7-97.4-47.7000110.8
636D19.1Very low23.5Very low143 Ų143144.6 Ų144.677%0.76580%0.797SS**  trans-71.6155.9158-65-72.3000110.2
637T25.8Very low23.4Very low147 Ų147144.8 Ų144.890%0.90279%0.793SS**  -171.4147.7129.6130000113.4
638S19.6Very low23.4Very low110 Ų110143.5 Ų143.577%0.76979%0.785SS**  trans-88.1136.9175.254.80000113.2
639S23.9Very low23.1Very low100 Ų100144 Ų14470%0.69979%0.789SS**  trans-166.3135.2140.445.20000108.2
640S19.5Very low23.2Very low112 Ų112143.6 Ų143.678%0.78378%0.782SS**  cis716938.888.20000113.9
641V28.9Very low23.1Very low142 Ų142145 Ų14586%0.86178%0.781SS**  trans-108.4140.9160.6179.70000108.9
642K23.4Very low23.2Very low181 Ų181148.2 Ų148.279%0.78778%0.784SS**  trans-100.2165.5-165.9-75.5-175.9177.8-178.70113
643N21.6Very low22.8Very low109 Ų109143 Ų14358%0.58378%0.775SS**  trans49.5124.8150.6-6424.7000118.9E645N643-E645 PolarHBondContact ND2-OE2 3.44Å
644N26.1Very low22.9Very low165 Ų165142.5 Ų142.588%0.88277%0.772SS**  -141.1117.6108.4-98.2-34.4000109.6
645E20.7Very low22.8Very low141 Ų141142.7 Ų142.766%0.65977%0.772SS**  trans-76.2140.1167.1-65154.2105.100108.5N643 V647N643-E645 PolarHBondContact ND2-OE2 3.44Å; E645-V647 HydrophobicContact CB-CG2 4.41Å
646Y25.2Very low22.6Very low237 Ų237142.5 Ų142.593%0.92977%0.77SS**  trans-139.5145.7151.7-115.6-84.6000109.4
647V23.2Very low22.6Very low109 Ų109139.8 Ų139.866%0.66176%0.762SS**  trans-134144.8-145.6168.20000110.7E645E645-V647 HydrophobicContact CB-CG2 4.41Å
648V22.7Very low22.3Very low115 Ų115138.6 Ų138.670%0.69776%0.755SS**  trans62.6111.3167.1166.80000116.2
649N23.5Very low22.4Very low159 Ų159140.8 Ų140.885%0.8576%0.758SS**  -152120.3101.5-118-21000111.9
650E19.7Very low22.5Very low157 Ų157142.1 Ų142.173%0.73477%0.767SS**  trans-92.7-176.6168.7-62.7-176.6125.900110.1
651N23.2Very low22.5Very low134 Ų134145.4 Ų145.472%0.71777%0.77SS**  trans70.1101.3172.7-50.8-61.6000116.2
652F24Very low22.1Very low199 Ų199142.7 Ų142.787%0.87376%0.757SS**  -160.3110.997.8-115.3-75.4000111.7
653S19.9Very low22.2Very low103 Ų103139.8 Ų139.872%0.7276%0.757SS**  trans-109.4112.6172.745.80000109.6
654H23.8Very low22.2Very low168 Ų168144.5 Ų144.578%0.77877%0.767SS**  trans-15291.9170.3-122.3-82.2000114.3
655C20.1Very low22.2Very low102 Ų102144.8 Ų144.869%0.68977%0.767SS**  20.4144.1129.5-57.50000122
656L20.4Very low22.2Very low160 Ų160144.3 Ų144.384%0.83877%0.767SS**  trans73.8131160.8-53.6159.5000115.4
657S19.2Very low22.2Very low86 Ų86140.8 Ų140.860%0.60176%0.763SS**  cis101.6125.516.583.60000116.3
658T20.7Very low22.1Very low122 Ų122145.6 Ų145.675%0.74877%0.769SS**  trans80.4148.2163.773.10000120
659N19.9Very low22.1Very low156 Ų156149.3 Ų149.383%0.83478%0.779SS**  trans72.8106.2159.1-59.3-15.9000120.5
660S26.9Very low22.2Very low127 Ų127148.6 Ų148.689%0.88877%0.774SS**  trans-140.5122.6142.355.10000110.2
661E19.3Very low23.2Very low182 Ų182146.4 Ų146.485%0.8577%0.773SS**  trans-147.6142.1-179.3-159-167.1-138.200109.3
662S21.2Very low24.3Very low84 Ų84144.9 Ų144.959%0.58777%0.77SS**  trans63.4166.3-176.8-70.90000114.7
663P25Very low24.2Very low121 Ų121142.9 Ų142.979%0.78677%0.768SS**  cis-91161.43.439.8-36.3000113.4
664R20.9Very low24.4Very low207 Ų207142.2 Ų142.278%0.78176%0.756SS**  cis73.195.637.2-66.5-169.2178.1-143.2-0.8115.5
665I26.9Very low24.4Very low172 Ų172137.7 Ų137.788%0.88274%0.74SS**  trans-118143.1155.6-63.9178.2000107.4
666I19.6Very low24.6Very low131 Ų131135.1 Ų135.167%0.67272%0.719SS**  trans-126.7128.1-173.3-59.6170.3000109.2
667I25.5Very low24.8Very low163 Ų163131.9 Ų131.984%0.83670%0.703SS**  trans-130.7145.1154.6-61.7-177.1000106.8
668R21.3Very low25Very low210 Ų210134.6 Ų134.679%0.79271%0.707SS**  trans-105.9143.8-179-67.2173.6169.9179-5.2110.6
669E22.8Very low25.2Very low193 Ų193136.6 Ų136.690%0.90271%0.708SS**  trans-134.1139.7150.3-68.5-174.8160.800107.7
670I25Very low25.5Very low144 Ų144135 Ų13574%0.73870%0.696SS**  trans-139.6150.3-177.8-83.8-176.9000108.6
671P42.4Very low25.4Very low110 Ų110137.1 Ų137.171%0.71469%0.689SS**  trans-111.7-142.4-158.443.5-28.7000109.8
672P45.2Very low25.9Very low103 Ų103136.8 Ų136.867%0.66969%0.692SS**  cis-135.3171-16.938.1-20.5000116.5
673L23.4Very low26Very low157 Ų157138.6 Ų138.682%0.82270%0.695SS**  trans-150.9113.7156.8-71.7179.4000113.7
674I23.3Very low26Very low89 Ų89138.4 Ų138.446%0.45670%0.695SS.*  59.2137.1120.7-79.6122.5000124.3T1257 P1259I674-T1257 WeakPolarHBondContact CD1-O 3.39Å; I674-T1257 WeakPolarHBondContact CG1-O 3.43Å; I674-P1259 WeakPolarHBondContact CG2-O 3.3Å
675T24.1Very low26.1Very low72 Ų72135.8 Ų135.844%0.44269%0.69SS.*  cis-174.2-88.4-31.620.20000118.3E1258 P1259 P1260T675-E1258 HydrophobicContact CG2-CG 3.89Å; T675-E1258 WeakPolarHBondContact OG1-CA 3.4Å; T675-P1259 CarbonylContact C-O 3.59Å; T675-P1259 VanDerWaalsContact CA-O 3.26Å; T675-P1259 WeakPolarHBondContact CA-O 3.2Å; T675-P1259 WeakPolarHBondContact CB-O 3.38Å; T675-P1259 PolarHBondContact N-O 3.23Å; T675-P1259 VanDerWaalsContact OG1-CA 3.28Å; T675-P1259 WeakPolarHBondContact OG1-CA 3.3Å; T675-P1259 PolarHBondContact OG1-O 3.12Å; T675-P1260 CarbonylContact C-O 3.59Å
676N23.1Very low26.1Very low49 Ų49136.6 Ų136.626%0.26269%0.687SS.*  trans-137.7159.5-151.5-59.54000118.9E1258 P1259 P1260N676-E1258 PolarHBondContact ND2-OE1 2.81Å; N676-P1259 HydrophobicContact CB-CB 4.47Å; N676-P1259 PolarHBondContact N-O 2.87Å; N676-P1259 CarbonylContact O-C 3.54Å; N676-P1259 VanDerWaalsContact O-C 3.24Å; N676-P1260 VanDerWaalsContact C-C 3.48Å; N676-P1260 CarbonylContact C-O 3.33Å; N676-P1260 PolarHBondContact N-O 3.32Å; N676-P1260 CarbonylContact O-C 3.57Å; N676-P1260 WeakPolarHBondContact O-CA 3.1Å; N676-P1260 WeakPolarHBondContact O-CB 3.29Å; N676-P1260 VanDerWaalsContact O-CG 3.25Å; N676-P1260 WeakPolarHBondContact O-CG 3.39Å
677D25.6Very low26.1Very low92 Ų92140.5 Ų140.549%0.49270%0.695SS.*  trans85.4105.8147-62.4-38.2000124.7V1261D677-V1261 VanDerWaalsContact N-CG2 3.35Å; D677-V1261 WeakPolarHBondContact O-CG2 3.4Å
678M22.9Very low26.1Very low142 Ų142141 Ų14170%0.769%0.691SS**  trans59.7164.3152.9-47.5-55.9-179.300118.5V1261M678-V1261 WeakPolarHBondContact O-CG2 3.44Å
679E24.8Very low26.2Very low165 Ų165137.1 Ų137.177%0.77169%0.691SS**  cis-156.6-166.9-1.2-140.7175178.800112.1
680E27.6Very low26.2Very low123 Ų123137.4 Ų137.458%0.57569%0.685SS**  trans66.3103.4151.2-71.7-89.478.600121.8
681K24.5Very low26Very low170 Ų170137.7 Ų137.774%0.73969%0.688SS**  14124.7125.1-46.5179.8-160.598.70118.5
682L29.7Very low25Very low175 Ų175142.5 Ų142.592%0.91670%0.698SS**  trans-127.992.1146.1-85.3172.4000111C684L682-C684 PolarHBondContact O-N 3.46Å
683D22.1Very low23.9Very low123 Ų123144.2 Ų144.266%0.65870%0.702SS**  trans-85.1101170.8-170.75.8000108.8K685D683-K685 IonicContact OD1-NZ 3.28Å; D683-K685 PolarHBondContact OD1-NZ 3.14Å; D683-K685 IonicContact OD2-NZ 2.8Å; D683-K685 PolarHBondContact OD2-NZ 2.97Å
684C25.8Very low24.2Very low116 Ų116141.1 Ų141.178%0.78469%0.691SS**  trans-129.983.6-178.8-149.10000111.6L682L682-C684 PolarHBondContact O-N 3.46Å
685K23.2Very low24.2Very low153 Ų153143.1 Ų143.167%0.66571%0.707SS**  trans-74.5123.8175.2-63.4160.2-173.5116.70110D683D683-K685 IonicContact OD1-NZ 3.28Å; D683-K685 PolarHBondContact OD1-NZ 3.14Å; D683-K685 IonicContact OD2-NZ 2.8Å; D683-K685 PolarHBondContact OD2-NZ 2.97Å
686F25.5Very low24.3Very low189 Ų189146.5 Ų146.583%0.82972%0.723SS**  trans-137.9110.7152.5-102.8-74.5000112.2
687Y20.3Very low24.4Very low213 Ų213153.7 Ų153.784%0.83575%0.748SS**  trans-76.6124161.4-88-99.5000109
688K26.6Very low24.3Very low174 Ų174151.8 Ų151.876%0.75774%0.739SS**  trans-138.396.5149.5-85.2-165.8174.8178.50110.1Y690K688-Y690 HydrophobicContact CD-CE2 4.4Å
689T21.9Very low24.4Very low127 Ų127150.4 Ų150.478%0.77973%0.734SS**  trans-74.1121.2156.744.70000108.4
690Y23.8Very low24.2Very low200 Ų200145.6 Ų145.678%0.78472%0.718SS**  trans-128.6113.7164.1-102.1-89.9000108.3K688K688-Y690 HydrophobicContact CD-CE2 4.4Å
691D20.2Very low23.9Very low150 Ų150142.4 Ų142.480%0.80271%0.709SS**  trans-72.8132.2158-79.8-55.1000108.2
692F21.8Very low23.8Very low211 Ų211138.2 Ų138.293%0.92570%0.701SS**  -164.3163.1124.7-112.9-76.4000111.4
693N21.8Very low23.5Very low139 Ų139134.8 Ų134.874%0.74369%0.689SS**  trans-145.4156.5-170.1-163.623.4000105.3
694P30Very low23.5Very low92 Ų92134.8 Ų134.860%0.59769%0.689SS**  cis-137.7-161.46.142.5-22.8000114.1
695T23.6Very low23.6Very low130 Ų130135 Ų13580%0.79869%0.687SS**  trans62.4103.3155.449.70000118.4
696D24.5Very low23.5Very low143 Ų143135 Ų13577%0.76570%0.695SS**  trans-131.1146.1147.9-126.8-23.8000112
697Y26.7Very low23.5Very low201 Ų201134.6 Ų134.679%0.78870%0.7SS**  trans34.2130.1175.1-76.1-89000123.2
698V23.3Very low23.6Very low52 Ų52129.4 Ų129.432%0.31569%0.69SS.*  trans-122.4114.3178.3-168.30000111.7V1214 G1215 R1216V698-V1214 HydrophobicContact CG1-CB 4.1Å; V698-V1214 HydrophobicContact CG1-CG1 3.82Å; V698-G1215 VanDerWaalsContact CG1-C 3.43Å; V698-G1215 WeakPolarHBondContact CG1-O 3.45Å; V698-R1216 HydrophobicContact CB-CB 4.16Å; V698-R1216 HydrophobicContact CB-CG 4.41Å; V698-R1216 HydrophobicContact CG1-CB 3.63Å; V698-R1216 HydrophobicContact CG1-CG 3.9Å; V698-R1216 PolarHBondContact O-NE 2.87Å; V698-R1216 PolarHBondContact O-NH2 2.83Å
699I23.9Very low23.5Very low113 Ų113127.6 Ų127.658%0.57969%0.689SS**  trans-101.692.7-178.2-56.2178000112S701 V1214I699-S701 PolarHBondContact O-N 3.39Å; I699-V1214 CarbonylContact C-O 3.58Å; I699-V1214 HydrophobicContact CB-CG2 4.07Å; I699-V1214 WeakPolarHBondContact O-CA 3.08Å; I699-V1214 VanDerWaalsContact O-CB 3.24Å; I699-V1214 WeakPolarHBondContact O-CB 3.35Å; I699-V1214 WeakPolarHBondContact O-CG2 3.34Å; I699-V1214 PolarHBondContact O-N 2.99Å
700S21.6Very low23.4Very low64 Ų64129 Ų12945%0.44869%0.692SS.*BIsolated β-bridgetrans20.482.9150.450.60000119.2
701S21Very low23.4Very low55 Ų55130.4 Ų130.439%0.38570%0.696SS.*  trans-69.6137.513561.70000109I699 V1214I699-S701 PolarHBondContact O-N 3.39Å; S701-V1214 PolarHBondContact N-O 3.07Å; S701-V1214 PolarHBondContact OG-O 2.92Å; S701-V1214 VanDerWaalsContact OG-O 3.14Å
702S23.1Very low23.5Very low82 Ų82132.9 Ų132.957%0.57370%0.7SS**  cis-150.3165-3.8-78.90000107.6R1213S702-R1213 PolarHBondContact OG-NH1 3.37Å
703P23.1Very low23.6Very low103 Ų103128.4 Ų128.467%0.66969%0.692SS**  -137.6149.399.537.9-28.7000113.1R1213P703-R1213 VanDerWaalsContact C-NH1 3.29Å; P703-R1213 PolarHBondContact O-NH1 3.3Å; P703-R1213 PolarHBondContact O-NH2 3.12Å
704N22.8Very low23.7Very low123 Ų123130 Ų13066%0.65870%0.7SS**  trans-167.5143.9137-108.24.2000109.4
705T27.1Very low23.4Very low121 Ų121134.9 Ų134.974%0.74271%0.711SS**  trans44.576.8157.560.50000116.3
706N21.1Very low23.4Very low152 Ų152133.7 Ų133.781%0.81371%0.706SS**  -63.1127.3129.6-88-9.2000106.3
707L24.9Very low23.4Very low181 Ų181132.8 Ų132.895%0.94871%0.71SS**  trans-67.7133.8160.9-106.1158.9000107.6
708V23.4Very low23.4Very low104 Ų104131.8 Ų131.863%0.6371%0.71SS**  trans-114.6140.9-168.6160.80000109.4
709N24.2Very low23.6Very low137 Ų137140.2 Ų140.273%0.73374%0.738SS**  trans70.1127.3171-62.7-18.2000118.7
710D19.6Very low23.6Very low155 Ų155140.4 Ų140.483%0.82974%0.744SS**  trans-56.6149.6146.4-55.8-82.9000111.1
711R23.2Very low23.8Very low231 Ų231143 Ų14387%0.87275%0.753SS**  trans-161.386.8150.8-112.9172.8-157.8-149.55113
712F22.2Very low24Very low202 Ų202148.7 Ų148.789%0.88677%0.771SS**SBendtrans-138.7135.1130.2-98.9-80.1000108L714F712-L714 PolarHBondContact O-N 2.81Å
713P24.7Very low24.5Very low116 Ų116151.4 Ų151.475%0.75378%0.784SS**  trans-84.4105.7-167.531.7-34.2000112.4K715P713-K715 PolarHBondContact O-N 2.97Å
714L22.8Very low24.5Very low174 Ų174152.5 Ų152.591%0.91178%0.784SS**  trans-72.490.2162.1-76.3171.1000110.1F712F712-L714 PolarHBondContact O-N 2.81Å
715K23.9Very low24.8Very low194 Ų194156.6 Ų156.684%0.84379%0.791SS**  trans-64.4144.6159.5-89.6-175.7175.81770109.2P713P713-K715 PolarHBondContact O-N 2.97Å
716P24.8Very low24.8Very low105 Ų105158.5 Ų158.568%0.68280%0.796SS**  trans-87.3132.3-152.831.6-36.1000114.3K718P716-K718 VanDerWaalsContact C-N 3.33Å; P716-K718 PolarHBondContact O-N 2.97Å
717S25.2Very low25Very low123 Ų123158 Ų15886%0.8679%0.792SS**  trans-69.490.2157.345.90000110.1Y719S717-Y719 PolarHBondContact O-N 3.37Å
718K25.4Very low25.3Very low181 Ų181158.1 Ų158.179%0.78779%0.785SS**  trans-64.395.5164.2-70.1-179.4-179.7177.60109.5P716P716-K718 VanDerWaalsContact C-N 3.33Å; P716-K718 PolarHBondContact O-N 2.97Å
719Y27.8Very low25.5Very low229 Ų229163.5 Ų163.590%0.89879%0.794SS**  trans-158.4146.9135.5-115.1-74.9000111.1S717S717-Y719 PolarHBondContact O-N 3.37Å
720V23.7Very low26Very low117 Ų117167.4 Ų167.471%0.70980%0.804SS**  trans-139.3147.3-160.2167.50000110.8
721N25.2Very low26.6Very low117 Ų117165 Ų16563%0.62680%0.799SS**  trans103.2112.4166-70.1-48.5000120.1
722K27Very low27.4Very low176 Ų176165.4 Ų165.477%0.76580%0.801SS**  60.7103.6121.6-58.9165.4-176.21550120.4
723T32.4Very low27.8Very low139 Ų139163.3 Ų163.385%0.85380%0.797SS**  -171.6117.4111.330.20000107
724N23.9Very low28.1Very low125 Ų125163.2 Ų163.267%0.66880%0.795SS**  71.798.551-160.324.4000114.2
725R27.5Very low28.8Very low210 Ų210165 Ų16579%0.79280%0.795SS**  trans54.5117.8162.4-62162.6-169.4-169.91.1118.2
726N28.9Very low29.1Very low161 Ų161162.9 Ų162.986%0.86179%0.792SS**  -168.3167.193.8-107.2-40.3000115.7
727I24Very low29.6Very low142 Ų142164 Ų16473%0.72880%0.801SS**  trans-95.8139.7177.6-61.6157.8000109.5
728K30.6Very low30Very low182 Ų182162 Ų16279%0.79179%0.787SS**  trans-154.8144.1141.4-112157.8-173.6177.70111.4E930K728-E930 IonicContact NZ-OE1 2.7Å; K728-E930 PolarHBondContact NZ-OE1 3.19Å
729R29.1Very low30.6Very low217 Ų217160.2 Ų160.282%0.81979%0.792SS**  trans-91.5150.8-173-60.7169.8176.7143.3-4.2110.9
730K35.1Very low31.2Very low219 Ų219158.4 Ų158.495%0.95279%0.788SS**  trans-13277.8156.2-77.1-170.8178.2177.20111
731S32.2Very low32Very low104 Ų104158.7 Ų158.773%0.72779%0.785SS**  trans-103.699.3170.553.80000109.7
732R38.2Very low32.5Very low241 Ų241162 Ų16291%0.90979%0.794SS**  trans-89.7117.3176.3-86.7-175.6170.8170.9-3.8111.5
733I30.7Very low33.6Very low158 Ų158156.9 Ų156.981%0.8178%0.78SS**  trans53.2112.8144.7-53.8178.6000117.6
734T31.1Very low34.4Very low114 Ų114154.7 Ų154.770%0.69977%0.766SS**  trans-75.3146.5169.542.60000113.1
735K38.5Very low35.5Very low211 Ų211158.6 Ų158.692%0.91777%0.772SS**  trans-113.2134.3143-79.5-172.8174.7-179.90108.7
736L30.6Very low36.9Very low149 Ų149156.1 Ų156.178%0.7876%0.764SS**  trans-82.6132.2-171.8-88.962.7000111.6
737C34.1Very low38.2Very low128 Ų128153.7 Ų153.787%0.86575%0.749SS**  trans-164.262.1148.3-135.60000111.9
738S34.6Very low39.7Very low82 Ų82152.5 Ų152.557%0.57374%0.744SS**  trans-117.737.3-166.1570000115.8K740S738-K740 PolarHBondContact O-N 3.14Å
739T36.4Very low40.8Very low144 Ų144146.8 Ų146.888%0.88373%0.73SS**THydrogen-bonded Turntrans-71.244.7176.544.70000114.5
740K40.8Very low41.9Very low190 Ų190143.1 Ų143.183%0.82672%0.721SS**THydrogen-bonded Turntrans-144.2-2.1176.2-110.2170.1-176.2174.20116.7S738S738-K740 PolarHBondContact O-N 3.14Å
741I40.2Very low42.3Very low124 Ų124140.1 Ų140.164%0.63671%0.707SS**SBendtrans-93.3-12.4-173.1-68.9177000114.2S743I741-S743 VanDerWaalsContact C-N 3.33Å; I741-S743 PolarHBondContact O-N 2.87Å
742F36.8Very low42.8Very low186 Ų186144.1 Ų144.182%0.81671%0.712SS**Hα-helixtrans-73.7-10.6-174.8-93.7-81.2000116.5
743S50.9Low43Very low68 Ų68141.2 Ų141.248%0.47671%0.706SS.*Hα-helixtrans-73.9-42.1179.5560000113.6I741 Y746 I747I741-S743 VanDerWaalsContact C-N 3.33Å; I741-S743 PolarHBondContact O-N 2.87Å; S743-Y746 PolarHBondContact O-N 2.79Å; S743-I747 WeakPolarHBondContact O-CG1 3.46Å; S743-I747 PolarHBondContact O-N 3.02Å; S743-I747 VanDerWaalsContact O-N 3.11Å
744V48.8Very low43.3Very low93 Ų93137.9 Ų137.956%0.56470%0.696SS**Hα-helixtrans-68.7-43.1-170.2-177.90000112.1Y746 I747 L748V744-Y746 VanDerWaalsContact C-N 3.33Å; V744-Y746 PolarHBondContact O-N 3.36Å; V744-I747 PolarHBondContact O-N 2.88Å; V744-L748 HydrophobicContact CG1-CD1 4.36Å; V744-L748 PolarHBondContact O-N 3.43Å
745R46.6Very low43.4Very low207 Ų207140.1 Ų140.178%0.78170%0.703SS**Hα-helixtrans-65.4-35.5175.6-75.9-173.3175.1-179.6-0.8112.3A749R745-A749 VanDerWaalsContact O-CB 3.3Å; R745-A749 WeakPolarHBondContact O-CB 3.36Å; R745-A749 PolarHBondContact O-N 3.23Å
746Y57.1Low43.3Very low159 Ų159134.5 Ų134.562%0.62469%0.69SS**Hα-helixtrans-65.4-42.1177.4-173.5-101.2000112.2S743 V744 A749 K750S743-Y746 PolarHBondContact O-N 2.79Å; V744-Y746 VanDerWaalsContact C-N 3.33Å; V744-Y746 PolarHBondContact O-N 3.36Å; Y746-A749 PolarHBondContact O-N 2.83Å; Y746-K750 PolarHBondContact O-N 2.94Å
747I56.5Low43.5Very low109 Ų109133.7 Ų133.756%0.55969%0.691SS**Hα-helixtrans-64.9-44.7177.7-67.6166.2000111.4S743 V744 K750 K751S743-I747 WeakPolarHBondContact O-CG1 3.46Å; S743-I747 PolarHBondContact O-N 3.02Å; S743-I747 VanDerWaalsContact O-N 3.11Å; V744-I747 PolarHBondContact O-N 2.88Å; I747-K750 PolarHBondContact O-N 3.38Å; I747-K751 PolarHBondContact O-N 3.23Å; I747-K751 VanDerWaalsContact O-N 3.16Å
748L54.2Low43.5Very low118 Ų118136.3 Ų136.362%0.61870%0.695SS**Hα-helixtrans-66.8-39.5177.6-72.4171.4000112.5V744 K750 K751 K752V744-L748 HydrophobicContact CG1-CD1 4.36Å; V744-L748 PolarHBondContact O-N 3.43Å; L748-K750 VanDerWaalsContact C-N 3.33Å; L748-K750 PolarHBondContact O-N 2.86Å; L748-K751 PolarHBondContact O-N 2.85Å; L748-K752 PolarHBondContact O-N 3.37Å
749A53.6Low43.3Very low61 Ų61136 Ų13650%0.50471%0.705SS.*Hα-helixtrans-61-40.7174.600000112R745 Y746 K752R745-A749 VanDerWaalsContact O-CB 3.3Å; R745-A749 WeakPolarHBondContact O-CB 3.36Å; R745-A749 PolarHBondContact O-N 3.23Å; Y746-A749 PolarHBondContact O-N 2.83Å; A749-K752 PolarHBondContact O-N 3.28Å
750K52.1Low43.1Very low141 Ų141138.9 Ų138.961%0.61371%0.705SS**Hα-helixtrans-70.3-38.5-179-152.1169.4-172.9176.40112.6Y746 I747 L748 K752 K753Y746-K750 PolarHBondContact O-N 2.94Å; I747-K750 PolarHBondContact O-N 3.38Å; L748-K750 VanDerWaalsContact C-N 3.33Å; L748-K750 PolarHBondContact O-N 2.86Å; K750-K752 VanDerWaalsContact C-N 3.32Å; K750-K752 PolarHBondContact O-N 3.22Å; K750-K753 PolarHBondContact O-N 2.91Å
751K44.1Very low42.5Very low155 Ų155141 Ų14167%0.67471%0.708SS**Hα-helixtrans-65.3-29173.4-98.1-168.1173.1-172.70113.8I747 L748 K753 S754I747-K751 PolarHBondContact O-N 3.23Å; I747-K751 VanDerWaalsContact O-N 3.16Å; L748-K751 PolarHBondContact O-N 2.85Å; K751-K753 VanDerWaalsContact C-N 3.32Å; K751-K753 PolarHBondContact O-N 3.24Å; K751-S754 PolarHBondContact O-OG 3.03Å
752K43.9Very low42.1Very low189 Ų189145.9 Ų145.982%0.82272%0.718SS**Hα-helixtrans-79.3-10.3179.6-145.1175.8-175.4-1780114.2L748 A749 K750L748-K752 PolarHBondContact O-N 3.37Å; A749-K752 PolarHBondContact O-N 3.28Å; K750-K752 VanDerWaalsContact C-N 3.32Å; K750-K752 PolarHBondContact O-N 3.22Å
753K41.3Very low41.7Very low180 Ų180145.8 Ų145.878%0.78372%0.72SS**Hα-helixtrans-98-8.2172.1-81.7-166.4171-170.70114.6K750 K751K750-K753 PolarHBondContact O-N 2.91Å; K751-K753 VanDerWaalsContact C-N 3.32Å; K751-K753 PolarHBondContact O-N 3.24Å
754S36.5Very low40.5Very low87 Ų87148.8 Ų148.861%0.60874%0.736SS**SBendtrans-9816.4-175.667.60000115.3K751K751-S754 PolarHBondContact O-OG 3.03Å
755L34.3Very low39.4Very low162 Ų162156 Ų15685%0.84875%0.753SS**SBendtrans-131.828.1-178.8-73.9172.7000112.6
756S36.5Very low38.4Very low92 Ų92156.2 Ų156.264%0.64376%0.76SS**SBendtrans-130.922.3-173.962.70000114.9
757V34.5Very low36.9Very low132 Ų132155.2 Ų155.280%0.877%0.77SS**SBendtrans-14080.6173.9-170.60000110.9
758I33Very low35.5Very low183 Ų183156.3 Ų156.394%0.93878%0.782SS**  trans-175.4133.9151.5-94.7149.6000105.4
759G32.2Very low33.8Very low76 Ų76160.3 Ų160.378%0.78479%0.794SS**  trans12575.7-17700000113.6
760K30.6Very low32.4Very low205 Ų205165.1 Ų165.189%0.89181%0.81SS**  trans-82130.7174.6-73.8178.4177.3173.60110.9
761R28.3Very low30.9Very low234 Ų234167.3 Ų167.388%0.88382%0.819SS**  trans58104.6131.1-169.6-166.8-152.51768.3118.4
762R32.5Very low29.8Very low227 Ų227169.8 Ų169.886%0.85783%0.831SS**  -166123.1123.1-108.8164.6-176.5171.71.3114.7
763Q28.6Very low28.8Very low183 Ų183169.3 Ų169.386%0.85583%0.831SS**  trans37.7137149-75.8166.4-33.800123.4
764T25.5Very low28.6Very low132 Ų132166.1 Ų166.181%0.8183%0.829SS**  trans-80.1144.8171.149.70000113.7
765R25.6Very low27.9Very low245 Ų245170.2 Ų170.293%0.92584%0.843SS**  trans-135.3135.4143.2-79.2-169.7170.3177.3-3.4109.8
766K24.8Very low27.4Very low210 Ų210167.8 Ų167.891%0.91384%0.84SS**  trans-94.5129.1168.3-66.8176.5179.51750108.2
767V27.1Very low27.3Very low139 Ų139169.2 Ų169.284%0.84285%0.847SS**  trans-138.7163.3158.9-173.50000107.5
768T26Very low26.7Very low132 Ų132171.4 Ų171.481%0.8185%0.853SS**  trans-94.5169.1-150.738.90000116.8
769K19.4Very low26.1Very low201 Ų201173.1 Ų173.187%0.87485%0.848SS**  trans-65.4145.3170.1-58.4168.7179.1171.30111.3
770I24.2Very low25.7Very low162 Ų162179 Ų17983%0.83185%0.852SS**  trans-133.8141.1150.3-65-176000108.1
771K19.3Very low25.4Very low187 Ų187174.4 Ų174.481%0.81384%0.837SS**  trans-101.8158.9167.8-63175.5176.1178.80108.7
772F22.6Very low25.1Very low208 Ų208172.1 Ų172.191%0.91283%0.834SS**  trans-155.9179.4137.5-108.2-66000111.7
773Q22.7Very low24.7Very low178 Ų178167.8 Ų167.883%0.83282%0.823SS**  trans-124.3173.9-158.9-103.8177.9-80.500113
774P35.9Very low24.5Very low113 Ų113165.5 Ų165.573%0.73481%0.813SS**  trans-93.7179.2-161.338.7-38.9000115.5
775L22Very low24.3Very low174 Ų174164.4 Ų164.491%0.91180%0.802SS**  trans-127.2172.4170.5-82.2168.2000111.9
776S23.7Very low24.2Very low111 Ų111161 Ų16178%0.77679%0.794SS**  trans-109.3166.3-148.7-530000115.9
777P34.6Very low24Very low122 Ų122155.6 Ų155.679%0.79278%0.783SS**  trans-100.9173.8-17539.9-35.9000115.1
778L22Very low24.1Very low178 Ų178160.5 Ų160.593%0.93279%0.788SS**  trans-130.7165.5172.5-79172.1000112.6
779R21.1Very low23.8Very low219 Ų219157.2 Ų157.283%0.82678%0.78SS**  trans-99.1165.5-175.7-57.3177178.5173.5-1.7112.9
780F23.3Very low24.3Very low200 Ų200155.1 Ų155.188%0.87778%0.778SS**  -169.6-172.3119.5-108.5-69.7000111
781D23.6Very low24.2Very low107 Ų107155.9 Ų155.957%0.57278%0.775SS**  trans-138.7153.4-137.3-84.3-67.3000116.6
782F23.7Very low24.2Very low186 Ų186153.6 Ų153.682%0.81677%0.767SS**  trans55.5173.5155.2-82.5-89.3000119.1
783E23.4Very low24.4Very low136 Ų136150 Ų15064%0.63676%0.757SS**  cis-145.5-152.212.4-128.8-73.2123.500111.2
784Q23.7Very low24.4Very low135 Ų135150.4 Ų150.463%0.63176%0.759SS**  trans-86.7-164.6-166.4-58.5166.659.300115.6
785N22.2Very low23.7Very low110 Ų110152.3 Ų152.359%0.58876%0.763SS**  cis-164.4164.914.3-135.8-35.5000116.7
786K22.1Very low24.2Very low173 Ų173149.5 Ų149.575%0.75276%0.755SS**  trans34.3125.5151.2-80.8159.6-171-178.90127.1
787S21.8Very low24.1Very low97 Ų97151.9 Ų151.968%0.67875%0.754SS**  13.7144.1129.9620000125.1
788Y28.9Very low23.6Very low241 Ų241151.4 Ų151.495%0.94575%0.745SS**  trans-161.7167.8142.6-105.5-70.8000112.7
789G20.4Very low23.7Very low64 Ų64149.8 Ų149.866%0.6673%0.732SS**  trans-177158.6171.700000114.6
790L28.6Very low24.1Very low157 Ų157148.5 Ų148.582%0.82273%0.733SS**  trans-154147173.7-80.2125.3000106.6
791K22.1Very low24Very low177 Ų177143.6 Ų143.677%0.7772%0.724SS**  63.9145.155-77.5-156.8169.6-152.70114.8
792Q19.5Very low25Very low140 Ų140143.8 Ų143.865%0.65473%0.731SS**  cis-169.3-172.9-26.6-156.2163.7-20.100106.5
793D27.4Very low25.4Very low131 Ų131146.1 Ų146.170%0.70174%0.736SS**  trans72.3151.7161.5-35.8-38.3000116.8
794E23.2Very low25.4Very low187 Ų187150.3 Ų150.387%0.87475%0.746SS**  cis-156.6-168.6-15.2-125.5179.7-178.300113
795L21.3Very low25.3Very low153 Ų153147.9 Ų147.980%0.80174%0.744SS**  trans-76.6174.3-176.9-96.5161.6000113.9
796P31.8Very low25.7Very low116 Ų116152.2 Ų152.275%0.75376%0.76SS**  cis-154.2-160.549.745.3-21000119.4
797E20.9Very low25.7Very low160 Ų160150.1 Ų150.175%0.74876%0.756SS**  trans-70.5176.8-171.2-49.9158.9147.500114.5
798N25.2Very low25.8Very low113 Ų113152.9 Ų152.960%0.60476%0.762SS**  -173.3159.653.5-118.8-49000115.7
799Q23.5Very low25.6Very low143 Ų143149 Ų14967%0.66875%0.753SS**  trans27.9131.3149.8-67.4161.153.800122.8
800F29.1Very low25.9Very low192 Ų192153 Ų15384%0.84276%0.759SS**  -176166.998.4-110.6-81.2000113.6
801S22.5Very low25.6Very low98 Ų98154.2 Ų154.269%0.68576%0.761SS**  trans-139.5-169.2-177.666.40000110
802P43.9Very low25.8Very low111 Ų111155.1 Ų155.172%0.72177%0.767SS**  cis-121.1-178.7-48.237.4-24000111.6
803Y31.2Very low25.9Very low234 Ų234155.3 Ų155.392%0.91877%0.771SS**  trans-151.8164.9142.9-134.8-94.9000113
804R24.1Very low25.8Very low225 Ų225157.3 Ų157.385%0.84978%0.781SS**  trans-117.7157.8-158.6-166.8174.3-179.6178.30.6113.9
805S22.4Very low25.8Very low83 Ų83152.2 Ų152.258%0.5877%0.766SS**  trans-52.3150.1177.855.40000116.7
806Q30.1Very low25.8Very low202 Ų202151.8 Ų151.894%0.94477%0.765SS**  trans-124.1158.8148.3-76.5-172.2-22.300110.4
807I22.6Very low25.5Very low128 Ų128151.9 Ų151.966%0.65676%0.763SS**  trans-145.8132.8-156.1-73.5174.6000109.7
808L22.5Very low25.5Very low155 Ų155150.8 Ų150.881%0.81276%0.762SS**  trans58.2177.5169.5-64.2167.7000113.4
809Q25.1Very low25.4Very low159 Ų159156.3 Ų156.374%0.74378%0.777SS**  cis-151.81538.5-157164.85.700109.5
810N26.8Very low25.3Very low150 Ų150155.2 Ų155.280%0.80278%0.779SS**  169.2126.2129.6-86-12.7000112.3
811Q22Very low24.9Very low181 Ų181152.1 Ų152.185%0.84678%0.78SS**  trans-110.8151.5157.8-65.2170.6-34.400106.7
812H26.5Very low25.4Very low196 Ų196152.8 Ų152.891%0.90778%0.784SS**  trans-148.8152.6153.3-110.9-81.3000110.5
813I21.7Very low24.9Very low145 Ų145151.9 Ų151.974%0.74478%0.779SS**  trans-111.9149-167.8-65165.5000109.6
814L25.6Very low24.5Very low172 Ų172145.6 Ų145.690%0.90176%0.761SS**  trans-139.2158.7160.4-102.8164.3000109.5
815S23.1Very low24.4Very low81 Ų81141.3 Ų141.357%0.56676%0.755SS**  trans-158.6152-146.955.30000114.2
816N21.5Very low24.5Very low144 Ų144145.4 Ų145.477%0.7777%0.769SS**  trans66160.5149-66.816.6000117.7
817T24.2Very low24.1Very low117 Ų117140 Ų14072%0.71875%0.754SS**  cis-156.6172.8-17.618.60000110.2
818D21.1Very low24.1Very low137 Ų137141.1 Ų141.173%0.73376%0.761SS**  trans-55.5167.8179.3-43.5-88.2000117.8
819Y23.7Very low24.1Very low230 Ų230137.8 Ų137.890%0.90276%0.756SS**  trans-156.5162.4136.2-122.5-81.3000112.6
820V21.7Very low24Very low120 Ų120136 Ų13673%0.72776%0.761SS**  trans-139.8143.9-169170.90000111.7
821C21.6Very low23.8Very low127 Ų127132.3 Ų132.386%0.85876%0.759SS**  trans-171.8166144.4-104.10000115.4
822S32.1Very low23.9Very low111 Ų111134.1 Ų134.178%0.77676%0.758SS**  trans-105.2-161.4172.3-60.60000109.2
823P33.1Very low23.7Very low93 Ų93132 Ų13260%0.60475%0.748SS**  cis-147.3-153.75.737.4-10.7000116.2
824N24Very low23.9Very low101 Ų101130 Ų13054%0.5475%0.747SS.*  trans95.6110.2149.6-71.2-13.1000122.8Q85Q85-N824 PolarHBondContact NE2-O 3.29Å
825N21.2Very low24.3Very low136 Ų136126.7 Ų126.773%0.72774%0.736SS**  68.1155.7114.3-65.3-14000124.7
826L23.8Very low24.3Very low168 Ų168130.4 Ų130.488%0.8875%0.748SS**  trans99135.1155.7-76148.6000120.2
827S21.2Very low24.4Very low89 Ų89132 Ų13262%0.62275%0.751SS**  trans-92.4159.1-176.853.30000112.8
828N22.6Very low24.3Very low152 Ų152132.6 Ų132.681%0.81376%0.758SS**  174.9158.4115.2-90.1-17.7000116
829A24.1Very low24.5Very low84 Ų84130.7 Ų130.769%0.69476%0.755SS**  trans52.895142.400000121.7
830S22.2Very low24.6Very low121 Ų121130.9 Ų130.985%0.84676%0.756SS**  33.7125.9117.962.90000122.5
831G22.4Very low24.6Very low74 Ų74131.2 Ų131.276%0.76375%0.753SS**  trans121152147.700000115.4
832R23.8Very low24.8Very low219 Ų219131.2 Ų131.283%0.82675%0.745SS**  cis-169.1162.1-24.4-136.4180-170.1-133.815.8107.1
833H23.9Very low24.5Very low152 Ų152131.3 Ų131.370%0.70474%0.737SS**  trans64.596.7164.5-66.4-64.3000121
834S24.4Very low24.3Very low102 Ų102136.7 Ų136.771%0.71375%0.747SS**  -72.6-172.2124.262.70000110.1
835P34.8Very low24.4Very low102 Ų102139.2 Ų139.266%0.66276%0.759SS**  cis-138-179.80.143.7-27.3000115.5
836I23.8Very low24.7Very low160 Ų160138 Ų13882%0.82176%0.757SS**  trans-133.5133.6138.6-64.8-174.1000108.5
837Q22.6Very low25.2Very low178 Ų178137.4 Ų137.483%0.83276%0.755SS**  trans-114.9147.3164.3-70.7-179.1-53.800109
838C22.5Very low25.4Very low128 Ų128138.1 Ų138.187%0.86576%0.755SS**  trans-115.6108160.7-73.40000108.9
839S24.2Very low25.8Very low98 Ų98136.6 Ų136.669%0.68575%0.752SS**  trans-83.6156.217350.50000111.7
840Y25.6Very low25.9Very low234 Ų234140.6 Ų140.692%0.91876%0.756SS**  trans-141.4121.2155-125.7-88.2000109
841N22.9Very low26.4Very low126 Ų126143.1 Ų143.167%0.67476%0.759SS**  trans-85.9156.6176.9-65.2-16.7000110.1
842D26.4Very low26.4Very low128 Ų128146 Ų14668%0.68476%0.757SS**  175.3136101.4-96.2-15.1000112.7
843N25.8Very low26.8Very low113 Ų113146.5 Ų146.560%0.60476%0.76SS**  trans39.2138.2134.9-40.9-42.3000119.3
844Y27.7Very low26.8Very low205 Ų205144.1 Ų144.180%0.80476%0.756SS**  cis-169.315449.3-120.4-65.7000114
845L26.5Very low26.9Very low154 Ų154147.6 Ų147.681%0.80676%0.761SS**  trans76.4142.9145.5-13967.9000121.4
846T26.8Very low26.4Very low111 Ų111147.6 Ų147.668%0.68176%0.764SS**  trans-96.7156.6-168.848.30000114.3
847D34.1Very low26.4Very low155 Ų155147.2 Ų147.283%0.82976%0.763SS**  trans-174.4152.7133.7-94.1-19.1000108.5
848V26.8Very low26.4Very low105 Ų105146.8 Ų146.864%0.63676%0.761SS**  cis-176.6143.3-38.9129.60000105.5
849T30.8Very low26.5Very low120 Ų120145.3 Ų145.374%0.73675%0.752SS**  trans58.9155175.748.20000118.4
850E25.7Very low26.4Very low167 Ų167148.1 Ų148.178%0.7876%0.759SS**  cis-168.4137.5-36.5-126.2-177.816400107.9
851L32.3Very low26.2Very low174 Ų174141.4 Ų141.491%0.91175%0.746SS**  trans174.8130140.8-102.2163.6000110.7
852N22.9Very low26.2Very low135 Ų135141.9 Ų141.972%0.72275%0.749SS**  trans-90.7143.8178.8-61.9-59.7000111.5
853Y32Very low26.1Very low230 Ų230144 Ų14490%0.90276%0.755SS**  -149.1152127-132.7-93.4000110.1
854T24.4Very low26Very low101 Ų101144.2 Ų144.262%0.6276%0.76SS**  trans-117.3179.6-161.550.90000113.2
855Q26.6Very low26.4Very low175 Ų175142.4 Ų142.482%0.81876%0.764SS**  trans85.6113.7176.3-55.9176.3-16.800113.9
856S24Very low26.2Very low103 Ų103141.6 Ų141.672%0.7276%0.76SS**  cis107.8137.910.2-550000114.7
857L24.1Very low26.2Very low152 Ų152143 Ų14380%0.79676%0.763SS**  trans64.2132.7-174.9-73.968.7000114
858E22.5Very low25.8Very low169 Ų169140.4 Ų140.479%0.7976%0.756SS**  cis94.1115.827.1-65.1-170.2134.900115.9
859S23.5Very low25.6Very low96 Ų96142.4 Ų142.467%0.67176%0.763SS**  trans56.4125143.964.50000122.5
860N22.2Very low25.7Very low158 Ų158144.8 Ų144.885%0.84577%0.765SS**  trans83.2165.5136.7-640.7000120.1
861S22.5Very low25.5Very low92 Ų92143.9 Ų143.964%0.64377%0.766SS**  trans-59.3164179.453.50000112.3
862D23Very low25.4Very low137 Ų137146.1 Ų146.173%0.73376%0.762SS**  -162.2173.352.1-94.9-66.3000114.7
863E24.3Very low25.5Very low171 Ų171148.1 Ų148.180%0.79976%0.764SS**  trans63.9139.4148.4-81.3-169.3152.200124.6
864V23.9Very low25Very low119 Ų119145.6 Ų145.672%0.72176%0.761SS**  trans57.9113.7140.8178.90000120
865L35.2Very low24.9Very low167 Ų167146.4 Ų146.487%0.87477%0.765SS**  -159127.2119.3-111.3167.3000111.6
866D23.4Very low24.7Very low137 Ų137145.9 Ų145.973%0.73376%0.763SS**  trans-103179167.8-17319.7000109.6
867L25.9Very low24.7Very low141 Ų141146.4 Ų146.474%0.73876%0.762SS**  trans7890.1171.2-58.6173.9000117.4
868S25.4Very low24.8Very low99 Ų99147.6 Ų147.669%0.69277%0.768SS**  110.5133.9106.878.70000120.3
869L24Very low24.7Very low148 Ų148144.5 Ų144.578%0.77577%0.765SS**  trans44105.1139.2-65.6168.7000119.3
870H31.5Very low24.7Very low169 Ų169150.9 Ų150.978%0.78277%0.774SS**  -145.7104.9125.1-118.457.1000113.6R872H870-R872 PolarHBondContact O-N 3.39Å
871N21.4Very low24.9Very low148 Ų148149.2 Ų149.279%0.79177%0.77SS**  trans-91.896176.5-166.7-11.3000109.1
872R30.1Very low24.8Very low221 Ų221151.8 Ų151.883%0.83478%0.777SS**  trans-100.7117.8176.9-99.1-173.1178.7-179.41111.9H870H870-R872 PolarHBondContact O-N 3.39Å
873K25Very low25Very low177 Ų177152.4 Ų152.477%0.7778%0.778SS**  trans-71159.2178.6-60.1174.4-179.3176.30111.6
874Q21.5Very low25.3Very low177 Ų177149.2 Ų149.283%0.82777%0.773SS**  trans13.4137.2137-56.6168.5-25.100117.9
875V23.6Very low25.3Very low118 Ų118154.6 Ų154.672%0.71578%0.78SS**  -168.2117122.5135.40000110
876Q22.9Very low24.8Very low165 Ų165153.2 Ų153.277%0.77177%0.772SS**  trans52.7159.6134.8-56.1176.1-2.800121.1
877T22.6Very low24.7Very low113 Ų113155.9 Ų155.969%0.69378%0.777SS**  cis-167.4144.2-25.334.10000106.1
878L26Very low24.5Very low178 Ų178156 Ų15693%0.93278%0.778SS**  trans-160.5118.9138.2-114.1160.1000110.2
879S20.1Very low24.3Very low103 Ų103161 Ų16172%0.7279%0.788SS**  trans-108152.4178.153.80000110.5
880R24.4Very low24.1Very low230 Ų230160.5 Ų160.587%0.86879%0.786SS**  trans-169150.7147.9-114.2173.1179.5-170.4-2.1113.1
881T26.4Very low23.6Very low123 Ų123158.5 Ų158.576%0.75579%0.786SS**  trans42100.6154.152.10000117.2
882N21Very low23.6Very low147 Ų147157.1 Ų157.179%0.78678%0.783SS**  cis70.3142.229.5-15514.2000115
883I25.4Very low23.2Very low149 Ų149154.7 Ų154.776%0.76479%0.785SS**  trans93.5140.3168.3-62.7168.4000117.5
884P32.2Very low23Very low105 Ų105155.2 Ų155.268%0.68279%0.788SS**  trans-144.2-156.8-144.442.9-20.3000116.9
885W23.1Very low23.7Very low231 Ų231151.5 Ų151.588%0.87578%0.779SS**  trans113.6152.2138.5-102.633.2000122.5
886I25.6Very low24Very low139 Ų139152.1 Ų152.171%0.71379%0.786SS**  trans67.8114.2168.5-62.5154.8000115.1
887K21.4Very low23.9Very low193 Ų193149.6 Ų149.684%0.83978%0.781SS**  cis82.8132.847.1-76.2-165.5172-1760116.1
888N21Very low24.1Very low142 Ų142154.3 Ų154.376%0.75979%0.792SS**  trans-33.8151.2175.1-38.22.3000116.2
889F21.9Very low24Very low204 Ų204151.1 Ų151.190%0.89578%0.78SS**  -154.8150.1117.9-122.8-79.7000113
890D19.5Very low24.2Very low138 Ų138151.7 Ų151.774%0.73878%0.782SS**  trans-81.7-176.5171.2-79.5-72.4000112.8
891V21.1Very low24.1Very low127 Ų127147.5 Ų147.577%0.7778%0.775SS**  trans100.8131.2152.9-168.80000116.7
892T20.1Very low23.9Very low120 Ų120148.4 Ų148.474%0.73678%0.775SS**  trans-68.2160.2178.950.80000113.6
893L22.8Very low24Very low169 Ų169147.3 Ų147.389%0.88577%0.774SS**  -168.7168123.1-103.5163.5000113.2
894K20.5Very low23.8Very low188 Ų188144.6 Ų144.682%0.81777%0.768SS**  trans-95.1-173.8177.3-57.8175.3178.2176.50110
895P36.6Very low23.3Very low99 Ų99145.9 Ų145.964%0.64377%0.77SS**  -125-163.3-64.638.8-23.3000109.7V897P895-V897 HydrophobicContact CG-CG2 4.41Å
896P30.1Very low23.3Very low132 Ų132140 Ų14086%0.85776%0.759SS**  trans-123147.4134.635-29.1000112.5
897V20.2Very low23.1Very low112 Ų112142.4 Ų142.468%0.67977%0.765SS**  trans-118.9131.9174.9171.50000108.4P895P895-V897 HydrophobicContact CG-CG2 4.41Å
898F26.3Very low23.2Very low212 Ų212138.8 Ų138.893%0.9376%0.762SS**  trans-148.1126.7151.2-103-73.8000110.7
899T23.6Very low23.2Very low110 Ų110136.7 Ų136.768%0.67576%0.759SS**  trans-103.9155.7161.353.20000108.1
900P26.2Very low23.1Very low115 Ų115131 Ų13175%0.74774%0.744SS**  -140.5133.596.6211.2000113.8
901I21.9Very low23.3Very low142 Ų142134.3 Ų134.373%0.72875%0.748SS**  93.8123.889.5-69.1167.7000114.3
902N21.2Very low23.6Very low142 Ų142134.3 Ų134.376%0.75975%0.749SS**  trans5.5147.9145.3-40.9-16.5000118.5
903T23.9Very low23.7Very low124 Ų124134.1 Ų134.176%0.76175%0.747SS**  -155.3131.552.737.10000110.6
904S21.3Very low24Very low92 Ų92132 Ų13264%0.64374%0.744SS**  78130.372.785.70000116.2
905D21.2Very low24.1Very low133 Ų133129.8 Ų129.871%0.71174%0.741SS**  trans82.5110.6143.9-62.6-25.7000124.4
906T23Very low23.7Very low107 Ų107133 Ų13366%0.65675%0.751SS**  99.1147.3120.461.90000122.7
907F21.8Very low23.3Very low190 Ų190134.2 Ų134.283%0.83375%0.749SS**  trans65.7155.7169.3-59.4-69.1000117
908C23.8Very low23.8Very low116 Ų116133.6 Ų133.678%0.78476%0.756SS**  cis-133.9169.32.6-150.60000112.7
909S19.7Very low23.5Very low98 Ų98132.7 Ų132.769%0.68575%0.754SS**  trans-107176.2179.860.60000112.4
910S20.7Very low23.6Very low84 Ų84133.3 Ų133.359%0.58776%0.764SS**  trans91.3148.4146.376.40000121.2
911Y22.7Very low23.3Very low208 Ų208137.1 Ų137.182%0.81677%0.771SS**  trans69.1146.6171-52.2-69000117.7
912T27.5Very low23.6Very low128 Ų128135.1 Ų135.179%0.78578%0.776SS**  cis-142.1149.76-24.80000112.2
913T22.2Very low23.6Very low116 Ų116136 Ų13671%0.71278%0.781SS**  trans-107.6150168.147.50000111.9
914P30.3Very low23.8Very low125 Ų125137.7 Ų137.781%0.81278%0.783SS**  trans-95.6143.1159.634.2-28.8000111.7
915N22.6Very low23.8Very low141 Ų141142 Ų14275%0.75479%0.791SS**  trans-101.5-173.3-178-93.1-41.6000112.8
916I26.7Very low23.9Very low167 Ų167143.5 Ų143.586%0.85680%0.797SS**  trans109.498.3178-60.7158.2000110.3
917L23.1Very low24.4Very low156 Ų156143.3 Ų143.382%0.81780%0.798SS**  cis8193.123.9-155.3164.8000115.1
918A29.2Very low24.5Very low99 Ų99142.1 Ų142.182%0.81880%0.801SS**  trans-163145.514800000110.4
919Q20.5Very low24.8Very low193 Ų193145.2 Ų145.290%0.90280%0.803SS**  trans-123.6144.7171.3-63.7170.6-21.100108.7
920S26.4Very low25.2Very low124 Ų124147.8 Ų147.887%0.86780%0.804SS**  trans-177.5144.8148.255.80000112
921E20.1Very low25.6Very low195 Ų195151.4 Ų151.491%0.91182%0.817SS**  trans-87.1148.4172.1-56.8154.9123.800111.2
922A28.1Very low26.1Very low99 Ų99146.9 Ų146.982%0.81881%0.807SS**  trans-169.8136.1154.900000112.5
923D21Very low26.4Very low161 Ų161148.2 Ų148.286%0.86180%0.802SS**  trans-80.8118.7170.6-93.6-63000112.2
924I28.4Very low27Very low159 Ų159148.2 Ų148.282%0.81580%0.797SS**  trans-135.9129.1155.8-60.6-175.5000110.6
925K21.4Very low27.4Very low184 Ų184146 Ų14680%0.879%0.785SS**  trans-94.4122.9172.6-63.4163.8-176.6159.20109.9
926L23.4Very low28.5Very low163 Ų163144.7 Ų144.785%0.85378%0.777SS**  trans161.4165.1147.3-110.272.7000109.5
927P32Very low28.9Very low103 Ų103142.2 Ų142.267%0.66976%0.764SS**  cis-121.1165.3-4834.2-19.5000111.8Q929P927-Q929 PolarHBondContact O-N 3.2Å
928N25.4Very low29.6Very low166 Ų166140.8 Ų140.889%0.88875%0.753SS**  trans-72.3108.6173.7-65-74.4000111.8
929Q28.7Very low30.2Very low181 Ų181142.1 Ų142.185%0.84675%0.747SS**  trans-91.3120.6155.8-73.2-169.9-900109.3P927 L931P927-Q929 PolarHBondContact O-N 3.2Å; Q929-L931 PolarHBondContact O-N 3.36Å
930E28.6Very low31.4Very low151 Ų151138.5 Ų138.571%0.70673%0.733SS**  trans-76.5114.9177.8-69.7-161.9127.300110.6K728 N932K728-E930 IonicContact NZ-OE1 2.7Å; K728-E930 PolarHBondContact NZ-OE1 3.19Å; E930-N932 PolarHBondContact O-N 3.4Å
931L30.2Very low31.7Very low161 Ų161142.6 Ų142.684%0.84373%0.731SS**  trans-57.6109.1176.7-78.5164.9000111.4Q929 F933Q929-L931 PolarHBondContact O-N 3.36Å; L931-F933 PolarHBondContact O-N 2.94Å; L931-F933 VanDerWaalsContact O-N 3.11Å
932N32.7Very low32.3Very low113 Ų113140.3 Ų140.360%0.60472%0.719SS**  trans-77.996-176.6-174.3-3.4000111.5E930 N934 S935E930-N932 PolarHBondContact O-N 3.4Å; N932-N934 PolarHBondContact O-N 3.48Å; N932-N934 WeakPolarHBondContact OD1-CB 3.35Å; N932-N934 PolarHBondContact OD1-N 3.07Å; N932-N934 PolarHBondContact OD1-ND2 2.79Å; N932-S935 PolarHBondContact O-N 2.76Å; N932-S935 VanDerWaalsContact O-N 3.13Å
933F33Very low32.9Very low156 Ų156142.9 Ų142.968%0.68472%0.718SS**THydrogen-bonded Turntrans-56.1-14.8-179-91.3-91.9000115.6L931 S935 I936L931-F933 PolarHBondContact O-N 2.94Å; L931-F933 VanDerWaalsContact O-N 3.11Å; F933-S935 PolarHBondContact O-N 3.39Å; F933-I936 PolarHBondContact O-N 3.24Å
934N35.4Very low33.7Very low115 Ų115139.4 Ų139.462%0.61571%0.705SS**Hα-helixtrans-63.5-25.5175.5-65.9-20.5000112.7N932 I936 H938N932-N934 PolarHBondContact O-N 3.48Å; N932-N934 WeakPolarHBondContact OD1-CB 3.35Å; N932-N934 PolarHBondContact OD1-N 3.07Å; N932-N934 PolarHBondContact OD1-ND2 2.79Å; N934-I936 PolarHBondContact O-N 3.42Å; N934-H938 PolarHBondContact O-N 2.95Å
935S39Very low34Very low80 Ų80139.4 Ų139.456%0.55971%0.705SS**Hα-helixtrans-62.3-40.6176.7-1760000112.6N932 F933 H938N932-S935 PolarHBondContact O-N 2.76Å; N932-S935 VanDerWaalsContact O-N 3.13Å; F933-S935 PolarHBondContact O-N 3.39Å; S935-H938 PolarHBondContact O-N 2.96Å
936I45.1Very low34.4Very low112 Ų112139.2 Ų139.257%0.57471%0.709SS**Hα-helixtrans-74.8-35.1-175-59.9175.6000111.6F933 N934 H938F933-I936 PolarHBondContact O-N 3.24Å; N934-I936 PolarHBondContact O-N 3.42Å; I936-H938 VanDerWaalsContact C-N 3.32Å; I936-H938 PolarHBondContact O-N 3.16Å
937L36.2Very low34.7Very low115 Ų115138.6 Ų138.660%0.60270%0.702SS**Hα-helixtrans-71.9-24.7177-82.7164.7000113.1N939L937-N939 VanDerWaalsContact C-N 3.32Å; L937-N939 PolarHBondContact O-N 3.24Å
938H37.4Very low34.6Very low126 Ų126142.6 Ų142.658%0.58371%0.711SS**Hα-helixtrans-70.3-28.4-179.7-147.2-72.4000112.9N934 S935 I936 I940N934-H938 PolarHBondContact O-N 2.95Å; S935-H938 PolarHBondContact O-N 2.96Å; I936-H938 VanDerWaalsContact C-N 3.32Å; I936-H938 PolarHBondContact O-N 3.16Å; H938-I940 VanDerWaalsContact C-N 3.34Å; H938-I940 PolarHBondContact O-N 3.48Å
939N41.5Very low34.8Very low127 Ų127142.7 Ų142.768%0.67971%0.708SS**THydrogen-bonded Turntrans-80.5-9.3-178-70.4-5.9000114.2L937L937-N939 VanDerWaalsContact C-N 3.32Å; L937-N939 PolarHBondContact O-N 3.24Å
940I45.6Very low34.7Very low118 Ų118142.9 Ų142.961%0.60571%0.706SS**THydrogen-bonded Turntrans-85.5-21178.4-63.8177.5000111.9H938H938-I940 VanDerWaalsContact C-N 3.34Å; H938-I940 PolarHBondContact O-N 3.48Å
941Y33.3Very low34.9Very low210 Ų210141.5 Ų141.582%0.82471%0.708SS**SBendtrans-928.3-178.4-87.8-78.7000115
942H31.4Very low34.5Very low146 Ų146141.2 Ų141.268%0.67671%0.707SS**  trans-112.725.4-173.7-101.3-81.6000115.6
943L41.1Very low34.3Very low153 Ų153141.2 Ų141.280%0.80171%0.713SS**  trans-79.9118.5168.2-85.8155.8000110.8I945L943-I945 PolarHBondContact O-N 3.5Å; L943-I945 VanDerWaalsContact O-N 3.12Å
944P37.1Very low34Very low88 Ų88138.7 Ų138.757%0.57171%0.71SS**SBendtrans-88.583-162.934.6-36.8000113.8Q947P944-Q947 HydrophobicContact CB-CG 4.34Å
945I34.9Very low33.5Very low160 Ų160138.1 Ų138.182%0.82172%0.715SS**SBendtrans-1151.9169.2-61.6-178.8000112.1L943L943-I945 PolarHBondContact O-N 3.5Å; L943-I945 VanDerWaalsContact O-N 3.12Å
946M30.2Very low32.9Very low179 Ų179141.1 Ų141.188%0.88272%0.724SS**  trans-119.936.6179.2-77-71.4-66.600113.3
947Q30.2Very low31.9Very low150 Ų150141.8 Ų141.870%0.70173%0.729SS**  trans-85.5-8.8178.6-78.1-164.4-10.900115.2P944 M949P944-Q947 HydrophobicContact CB-CG 4.34Å; Q947-M949 PolarHBondContact O-N 2.74Å
948H30Very low31.4Very low187 Ų187141.9 Ų141.987%0.86673%0.729SS**  trans-85.388171-96.6-85000111.8
949M29.1Very low30.7Very low168 Ų168143.1 Ų143.183%0.82874%0.736SS**  trans172.260.5144.5-92.6-67.8151.800109.9Q947 T951Q947-M949 PolarHBondContact O-N 2.74Å; M949-T951 PolarHBondContact O-N 3.19Å
950K26.9Very low30Very low186 Ų186146.8 Ų146.881%0.80974%0.741SS**  trans-82.496.8169.3-84.1-174.6175.2178.10110.3
951T32.9Very low29.1Very low121 Ų121147.7 Ų147.774%0.74275%0.748SS**  trans-140.186.9161.3530000110M949M949-T951 PolarHBondContact O-N 3.19Å
952L20.5Very low28.6Very low156 Ų156147.6 Ų147.682%0.81775%0.746SS**  trans-79.4146.4159.2-81.282.1000108.4
953P29Very low28.3Very low112 Ų112147.1 Ų147.173%0.72775%0.748SS**  -108.4130.5105.6-14.732.3000112.3
954T28Very low27.5Very low104 Ų104145.7 Ų145.764%0.63875%0.746SS**  56.1103.6104.465.40000113.8
955S23.9Very low26.9Very low103 Ų103147.5 Ų147.572%0.7276%0.755SS**  71.6148.880.379.20000113.3
956I25.5Very low26.5Very low142 Ų142147 Ų14773%0.72876%0.76SS**  cis-160.7160.314-141.3162000111
957N26Very low26.1Very low127 Ų127141.6 Ų141.668%0.67975%0.751SS**  trans51131.2155.4-63.7-1.5000125.4
958N25Very low25.9Very low116 Ų116140.7 Ų140.762%0.6276%0.755SS**  76.7120.1124.3-65.731.5000125.2
959E23.5Very low25.6Very low153 Ų153137.3 Ų137.372%0.71575%0.748SS**  74131122.3-63.117812000123.7
960Y25.2Very low25.5Very low203 Ų203136.5 Ų136.580%0.79675%0.745SS**  trans11.3118.9140.8-67.9-93.8000117.2
961N26.7Very low25.3Very low138 Ų138131.5 Ų131.574%0.73873%0.734SS**  -167.9172.472.1-108.7-55.6000116.9
962R24.5Very low25.1Very low207 Ų207132.6 Ų132.678%0.78174%0.736SS**  trans-13.3151.6162.7-89.3179.8179.7167.72.7123.2
963D24.3Very low25.6Very low136 Ų136132.7 Ų132.773%0.72774%0.737SS**  trans75.1123.2137.7-57.3-14.5000121.4
964T24.1Very low25.6Very low124 Ų124134.7 Ų134.776%0.76174%0.742SS**  trans-52.3136.8163.548.30000113.3
965T24.7Very low26.6Very low125 Ų125134 Ų13477%0.76774%0.738SS**  178.9164.5114.926.80000111.5
966T26.4Very low26.7Very low149 Ų149135.7 Ų135.791%0.91474%0.739SS**  trans64.7147.717872.40000115.5
967G22.4Very low26.8Very low67 Ų67135.6 Ų135.669%0.69174%0.74SS**  trans-148169.117500000108.9
968T25Very low26.7Very low130 Ų130135.7 Ų135.780%0.79874%0.739SS**  trans-157156.7-178.6-6.40000111.8
969T24Very low26.8Very low117 Ų117137.9 Ų137.972%0.71875%0.75SS**  trans67.1132.6152.146.10000121.8
970I26.9Very low26.9Very low150 Ų150135.5 Ų135.577%0.76975%0.75SS**  trans69.997.5140.4-63.8164.9000115.7
971S23.8Very low26.8Very low82 Ų82133.3 Ų133.357%0.57375%0.752SS**  cis88.8115.246.577.80000115.1
972N28.6Very low27Very low144 Ų144132.7 Ų132.777%0.7776%0.755SS**  177.7163.1109.9-88.1-22.4000113.3
973N30Very low27Very low157 Ų157126.5 Ų126.584%0.8475%0.748SS**  trans70.665.1166.7-59.81.8000118.4
974N28.8Very low27.4Very low155 Ų155127.8 Ų127.883%0.82976%0.755SS**  trans-59.1-177.2144.4-113.4-0.9000112.3
975P49.2Very low27.5Very low88 Ų88127.9 Ų127.957%0.57176%0.755SS**  cis-142.1-147.3-26.337.5-15.2000113.3
976L26.2Very low27.9Very low140 Ų140130.3 Ų130.373%0.73376%0.763SS**  trans90116.3166.7-51.9-176.4000115.6
977N28Very low27.9Very low139 Ų139130 Ų13074%0.74376%0.756SS**  cis-130153.8-4.7-64.7-42.2000107.9
978I23.2Very low28.3Very low130 Ų130134.6 Ų134.667%0.66776%0.764SS**  cis74.482.428.2-47-177.7000115.2
979L27.9Very low28.4Very low161 Ų161131.4 Ų131.484%0.84376%0.757SS**  trans-178.3117.1133.5-115.275.7000104.8
980S25.2Very low29.1Very low104 Ų104136.2 Ų136.273%0.72777%0.768SS**  cis96.2139.149.6-67.30000113.1
981L23.2Very low28.9Very low157 Ų157136.1 Ų136.182%0.82277%0.767SS**  trans-76.3162.1-168.7-77.169.4000112.9A983L981-A983 HydrophobicContact CB-CB 4.47Å
982P30.5Very low29.2Very low125 Ų125142.1 Ų142.181%0.81278%0.784SS**  -117.4138.48934.9-33.7000111.9
983A25.5Very low29.3Very low76 Ų76140.2 Ų140.263%0.62878%0.779SS**  cis73.190.645.300000113.3L981L981-A983 HydrophobicContact CB-CB 4.47Å
984N31.2Very low29.4Very low163 Ų163139.8 Ų139.887%0.87278%0.782SS**  trans-151.4155.3151.1-129-29.8000111.5
985T27Very low29.3Very low126 Ų126140.8 Ų140.877%0.77378%0.781SS**  trans-108.5130.1-156.554.20000115.5
986L33.7Very low28.1Very low177 Ų177141.6 Ų141.693%0.92779%0.789SS**  -152.5137.6125.2-148.370.7000110.6
987N26.2Very low28.4Very low143 Ų143140.6 Ų140.677%0.76579%0.789SS**  trans-133.5169.6-176.2-156.8-9000110
988N31.2Very low28.5Very low163 Ų163141.5 Ų141.587%0.87279%0.792SS**  trans83.8118.8-168.1-52.6-40.2000114.5
989G27.3Very low29Very low62 Ų62141.2 Ų141.264%0.63980%0.798SS**  cis147.9118.3-13.600000114.3
990K36.7Very low29.2Very low218 Ų218140 Ų14095%0.94880%0.798SS**  trans-171.5104.8149.2-104.1141-167.8159.80111.6
991I24.5Very low29.7Very low149 Ų149141.2 Ų141.276%0.76480%0.801SS**  trans-77.5145.6174-66.5160.2000109.9
992F28.7Very low30Very low208 Ų208141 Ų14191%0.91280%0.8SS**  trans-167.3127.8133.4-101.9-67.4000110
993P31.5Very low30.2Very low104 Ų104142.5 Ų142.568%0.67580%0.799SS**  trans-97.5164.1-171.238-35.9000114
994V31.1Very low30.6Very low147 Ų147146.4 Ų146.489%0.89181%0.805SS**  trans-137.2137160.8-1790000109.7
995H27.6Very low30.7Very low176 Ų176147.8 Ų147.882%0.81580%0.803SS**  trans-56.6144.8-165.7-91.8-97.7000118.1
996S23.1Very low31.1Very low106 Ų106151.3 Ų151.374%0.74181%0.808SS**  trans-81.5141.8146.949.40000111.4
997T32.7Very low31.2Very low118 Ų118149.8 Ų149.872%0.72480%0.801SS**  trans-14698.9156.441.90000106.8
998I30.7Very low32Very low158 Ų158148 Ų14881%0.8180%0.799SS**  78.8127.3100.9-71.1167000112.4
999P34.2Very low32.5Very low124 Ų124148.6 Ų148.681%0.80579%0.79SS**  trans-93.5153.5-153.936.5-37000115
1000T31.6Very low33.4Very low137 Ų137155.3 Ų155.384%0.8480%0.802SS**  trans-84.4131.8169.2-44.80000110.7L1002T1000-L1002 PolarHBondContact O-N 3.07Å
1001T34.7Very low34.1Very low129 Ų129151.5 Ų151.579%0.79179%0.792SS**  trans-64.2111.8-179.240.90000112.1I1003T1001-I1003 PolarHBondContact O-N 3.16Å
1002L30.6Very low35.5Very low151 Ų151148.5 Ų148.579%0.79179%0.789SS**  trans-83.4100.3-175.7-167.4130.4000110.6T1000 Q1004T1000-L1002 PolarHBondContact O-N 3.07Å; L1002-Q1004 PolarHBondContact O-N 3.15Å
1003I34.7Very low37.2Very low157 Ų157142.3 Ų142.381%0.80577%0.77SS**  trans-62.6102.1178.7-60.2175.6000109.7T1001 K1005T1001-I1003 PolarHBondContact O-N 3.16Å; I1003-K1005 PolarHBondContact O-N 3.3Å; I1003-K1005 VanDerWaalsContact O-N 3.17Å
1004Q33.6Very low39.4Very low159 Ų159146.9 Ų146.974%0.74378%0.779SS**  trans-69108.6177.2-65-176.51.500110.5L1002 K1006L1002-Q1004 PolarHBondContact O-N 3.15Å; Q1004-K1006 PolarHBondContact O-N 2.04Å
1005K34.1Very low42.2Very low191 Ų191144.8 Ų144.883%0.8376%0.763SS**  trans-67.2104.8162.2-78.3-169173.1-172.80108.7I1003 N1007I1003-K1005 PolarHBondContact O-N 3.3Å; I1003-K1005 VanDerWaalsContact O-N 3.17Å; K1005-N1007 PolarHBondContact O-N 2.47Å
1006K34.8Very low45.2Very low200 Ų200139.7 Ų139.787%0.8774%0.74SS**  trans-58.4119.4175.8-67.8-179.2177.7178.70109.6Q1004 S1008Q1004-K1006 PolarHBondContact O-N 2.04Å; K1006-S1008 PolarHBondContact O-N 3.26Å
1007N35.9Very low48.4Very low146 Ų146137.6 Ų137.678%0.78172%0.724SS**  trans-72.8105.8176-74.4-37.4000109.7K1005 Y1009K1005-N1007 PolarHBondContact O-N 2.47Å; N1007-Y1009 PolarHBondContact O-N 2.26Å
1008S42.3Very low51.3Low104 Ų104132.5 Ų132.573%0.72769%0.692SS**  trans-73.892.8173-164.90000110.2K1006K1006-S1008 PolarHBondContact O-N 3.26Å
1009Y42.6Very low54.1Low176 Ų176129.9 Ų129.969%0.6969%0.686SS**  trans-143.411.3-178.8-114.6-77.8000113.5N1007N1007-Y1009 PolarHBondContact O-N 2.26Å
1010K46.8Very low56.7Low204 Ų204126.8 Ų126.889%0.88766%0.662SS**  trans-86.1-21.5178.4-73.9-163.9171.2-169.10113.6A1012K1010-A1012 PolarHBondContact O-N 2.76Å
1011D49.8Very low59.2Low138 Ų138125.1 Ų125.174%0.73866%0.662SS**  trans-81.584.1179.3-54.2-39.3000110.6
1012A53.8Low61.8Low86 Ų86122.9 Ų122.971%0.71167%0.665SS**PPolyproline II helixtrans-62.6128.1168.600000109.2K1010 K1014K1010-A1012 PolarHBondContact O-N 2.76Å; A1012-K1014 PolarHBondContact O-N 3.31Å
1013P65.9Low64.5Low78 Ų78116.6 Ų116.651%0.50663%0.633SS.*PPolyproline II helixtrans-61.9129-178.824.9-33.6000110.1L1015P1013-L1015 PolarHBondContact O-N 3.37Å; P1013-L1015 VanDerWaalsContact O-N 3.13Å
1014K77.7Confident67.1Low200 Ų200117.1 Ų117.187%0.8763%0.632SS**PPolyproline II helixtrans-50119.2-179.3-66.8-175.7179.4-177.70109.8A1012A1012-K1014 PolarHBondContact O-N 3.31Å
1015L89Confident70Confident103 Ų103114.5 Ų114.554%0.53962%0.62SS.*PPolyproline II helixtrans-71132.2-179.5-64.9177.1000110.1P1013 K1026 P1028P1013-L1015 PolarHBondContact O-N 3.37Å; P1013-L1015 VanDerWaalsContact O-N 3.13Å; L1015-K1026 HydrophobicContact CB-CB 4.16Å; L1015-K1026 HydrophobicContact CD1-CB 4.32Å; L1015-P1028 HydrophobicContact CD2-CB 4.02Å
1016I90.2Very high72.7Confident68 Ų68111.8 Ų111.835%0.34961%0.608SS.*EExtended strand (participates in β ladder)trans-96.8113.5-179.4-41.3177000108.4F1027 N1030 L1033I1016-F1027 PolarHBondContact N-O 3.31Å; I1016-F1027 PolarHBondContact O-N 3.16Å; I1016-N1030 HydrophobicContact CD1-CB 4.08Å; I1016-L1033 HydrophobicContact CB-CD2 4.32Å; I1016-L1033 HydrophobicContact CG2-CD2 3.58Å
1017T91.7Very high75.5Confident63 Ų63103.7 Ų103.739%0.38757%0.573SS.*EExtended strand (participates in β ladder)trans-71.5154.8176.3-41.20000111Q1025 K1026T1017-Q1025 CarbonylContact C-O 3.56Å; T1017-Q1025 WeakPolarHBondContact CA-O 2.86Å; T1017-K1026 HydrophobicContact CG2-CG 4.03Å
1018C93.6Very high78.1Confident10 Ų1098.9 Ų98.97%0.06855%0.549CS..  trans-65.6136.1165.6-161.10000110.6I1020 C1023 Q1025 L1033 H1036C1018-I1020 VanDerWaalsContact C-N 3.25Å; C1018-I1020 PolarHBondContact O-N 2.95Å; C1018-C1023 HydrophobicContact CB-CB 4.37Å; C1018-C1023 WeakPolarHBondContact CB-O 3.38Å; C1018-Q1025 PolarHBondContact N-O 3.5Å; C1018-L1033 HydrophobicContact CB-CD1 4.01Å; C1018-H1036 PolarHBondContact SG-CD2 3.25Å
1019P89.1Confident80.4Confident104 Ų104100.1 Ų100.168%0.67554%0.538SS*.  trans-79.7-5.917732.9-36.4000113.4I1037P1019-I1037 HydrophobicContact CG-CD1 4.25Å
1020I87.7Confident82.6Confident59 Ų5995.8 Ų95.830%0.30353%0.527SS..SBendtrans-83.1126.8-175.2-64.7178000109.7C1018 C1023 I1037 H1040C1018-I1020 VanDerWaalsContact C-N 3.25Å; C1018-I1020 PolarHBondContact O-N 2.95Å; I1020-C1023 PolarHBondContact O-N 3.47Å; I1020-I1037 HydrophobicContact CD1-CG1 4.46Å; I1020-I1037 HydrophobicContact CD1-CG2 4.23Å; I1020-H1040 HydrophobicContact CD1-CB 3.47Å; I1020-H1040 VanDerWaalsContact CD1-CB 3.47Å; I1020-H1040 HydrophobicContact CG2-CB 4.34Å
1021A84.8Confident84.5Confident101 Ų10189.9 Ų89.984%0.83551%0.511SS*.THydrogen-bonded Turntrans-51.7143.6-179.100000112.1C1023A1021-C1023 PolarHBondContact O-N 2.98Å; A1021-C1023 VanDerWaalsContact O-N 3.07Å
1022G88.7Confident86.4Confident83 Ų8384.3 Ų84.386%0.85648%0.483SS*.THydrogen-bonded Turntrans74.4-24.4-172.100000115.1Q1024G1022-Q1024 PolarHBondContact O-N 3.4Å
1023C88.8Confident88.2Confident19 Ų1980.8 Ų80.813%0.12845%0.453CS..  trans-95.186.2-174.7-156.40000114.5C1018 I1020 A1021 Q1025 H1036 H1040C1018-C1023 HydrophobicContact CB-CB 4.37Å; C1018-C1023 WeakPolarHBondContact CB-O 3.38Å; I1020-C1023 PolarHBondContact O-N 3.47Å; A1021-C1023 PolarHBondContact O-N 2.98Å; A1021-C1023 VanDerWaalsContact O-N 3.07Å; C1023-Q1025 PolarHBondContact O-N 3.23Å; C1023-H1036 PolarHBondContact SG-CE1 3.2Å; C1023-H1036 PolarHBondContact SG-NE2 2.93Å; C1023-H1040 VanDerWaalsContact CB-CE1 3.41Å; C1023-H1040 WeakPolarHBondContact CB-CE1 3.43Å; C1023-H1040 WeakPolarHBondContact CB-NE2 3.49Å; C1023-H1040 PolarHBondContact SG-CE1 2.85Å; C1023-H1040 PolarHBondContact SG-NE2 3.31Å
1024Q89.3Confident89.3Confident168 Ų16883.8 Ų83.879%0.78546%0.458SS*.  trans-7418.1-179.7-54.5-1739.800115.3G1022G1022-Q1024 PolarHBondContact O-N 3.4Å
1025Q92.9Very high89.5Confident104 Ų10480 Ų8049%0.48644%0.438SS..  trans-70.1133.2-178-67.4-16729.500111.9T1017 C1018 C1023 F1027 H1036T1017-Q1025 CarbonylContact C-O 3.56Å; T1017-Q1025 WeakPolarHBondContact CA-O 2.86Å; C1018-Q1025 PolarHBondContact N-O 3.5Å; C1023-Q1025 PolarHBondContact O-N 3.23Å; Q1025-F1027 HydrophobicContact CB-CE2 3.6Å; Q1025-F1027 HydrophobicContact CB-CZ 3.65Å; Q1025-F1027 WeakPolarHBondContact O-CE2 3.35Å; Q1025-H1036 VanDerWaalsContact CD-CE1 3.46Å; Q1025-H1036 PolarHBondContact OE1-CE1 3.26Å
1026K92.3Very high89.5Confident134 Ų13475.7 Ų75.758%0.58342%0.415SS*.EExtended strand (participates in β ladder)trans-116129.4-174.4-68.6179.6-176.3176.10111.2L1015 T1017L1015-K1026 HydrophobicContact CB-CB 4.16Å; L1015-K1026 HydrophobicContact CD1-CB 4.32Å; T1017-K1026 HydrophobicContact CG2-CG 4.03Å
1027F93Very high89.3Confident30 Ų3074.8 Ų74.813%0.13241%0.41CS..EExtended strand (participates in β ladder)trans-120.9135.8-171.6-60.5-82.7000112.1I1016 Q1025 W1029 L1033 H1036I1016-F1027 PolarHBondContact N-O 3.31Å; I1016-F1027 PolarHBondContact O-N 3.16Å; Q1025-F1027 HydrophobicContact CB-CE2 3.6Å; Q1025-F1027 HydrophobicContact CB-CZ 3.65Å; Q1025-F1027 WeakPolarHBondContact O-CE2 3.35Å; F1027-W1029 PolarHBondContact O-N 3.37Å; F1027-L1033 HydrophobicContact CB-CB 4.24Å; F1027-L1033 HydrophobicContact CD2-CB 4.04Å; F1027-L1033 HydrophobicContact CD2-CD1 3.97Å; F1027-L1033 HydrophobicContact CE2-CD1 4.22Å; F1027-L1033 HydrophobicContact CG-CB 4.25Å; F1027-H1036 HydrophobicContact CE1-CB 3.98Å; F1027-H1036 HydrophobicContact CE2-CB 3.92Å; F1027-H1036 AromaticContact CE2-CD2 3.26Å; F1027-H1036 WeakPolarHBondContact CE2-CD2 3.38Å; F1027-H1036 AromaticContact CE2-CG 3.65Å; F1027-H1036 AromaticContact CE2-NE2 3.99Å; F1027-H1036 HydrophobicContact CZ-CB 3.45Å; F1027-H1036 VanDerWaalsContact CZ-CB 3.45Å; F1027-H1036 AromaticContact CZ-CD2 3.38Å; F1027-H1036 WeakPolarHBondContact CZ-CD2 3.49Å; F1027-H1036 AromaticContact CZ-CG 3.27Å; F1027-H1036 AromaticContact CZ-ND1 3.9Å
1028P90.3Very high89Confident44 Ų4474.2 Ų74.229%0.28641%0.405SS..SBendtrans-74.6-7.6177.330.2-35.8000114.1L1015L1015-P1028 HydrophobicContact CD2-CB 4.02Å
1029W90.1Very high88.5Confident130 Ų13078 Ų7849%0.49243%0.427SS..SBendtrans-147.6138.5-178.2-56.9-61.8000111.8F1027 S1031 S1032 L1033F1027-W1029 PolarHBondContact O-N 3.37Å; W1029-S1031 VanDerWaalsContact C-N 3.25Å; W1029-S1031 PolarHBondContact O-N 2.96Å; W1029-S1032 PolarHBondContact O-N 3.19Å; W1029-L1033 PolarHBondContact O-N 2.59Å
1030N88.8Confident88.2Confident86 Ų8676.6 Ų76.646%0.4641%0.412SS..Hα-helixtrans-55.9-37.5177.7-172.7-54000112.2I1016 S1032 L1033 K1034I1016-N1030 HydrophobicContact CD1-CB 4.08Å; N1030-S1032 PolarHBondContact O-N 2.86Å; N1030-L1033 WeakPolarHBondContact O-CB 3.43Å; N1030-L1033 PolarHBondContact O-N 2.73Å; N1030-L1033 VanDerWaalsContact O-N 3.08Å; N1030-K1034 PolarHBondContact O-N 2.78Å; N1030-K1034 VanDerWaalsContact OD1-CE 3.26Å; N1030-K1034 WeakPolarHBondContact OD1-CE 3.38Å; N1030-K1034 WeakPolarHBondContact OD1-CG 3.36Å
1031S87.3Confident87.8Confident79 Ų7976.2 Ų76.255%0.55241%0.412SS*.Hα-helixtrans-65.9-17.4176.3620000115W1029 R1035W1029-S1031 VanDerWaalsContact C-N 3.25Å; W1029-S1031 PolarHBondContact O-N 2.96Å; S1031-R1035 PolarHBondContact O-NH2 3.22Å
1032S89.8Confident87.4Confident21 Ų2177.1 Ų77.115%0.14741%0.41CS..Hα-helixtrans-90.3-34.8168.8-74.10000112.1W1029 N1030 R1035 H1036W1029-S1032 PolarHBondContact O-N 3.19Å; N1030-S1032 PolarHBondContact O-N 2.86Å; S1032-R1035 PolarHBondContact O-N 3Å; S1032-R1035 PolarHBondContact OG-NH1 3.35Å; S1032-R1035 PolarHBondContact OG-NH2 3.41Å; S1032-H1036 PolarHBondContact O-N 2.9Å; S1032-H1036 VanDerWaalsContact O-N 3.15Å
1033L91.5Very high87Confident13 Ų1379.3 Ų79.37%0.06840%0.397CS..Hα-helixtrans-61-50.7171.2171.157.1000111.6I1016 C1018 F1027 W1029 N1030 R1035 H1036 I1037I1016-L1033 HydrophobicContact CB-CD2 4.32Å; I1016-L1033 HydrophobicContact CG2-CD2 3.58Å; C1018-L1033 HydrophobicContact CB-CD1 4.01Å; F1027-L1033 HydrophobicContact CB-CB 4.24Å; F1027-L1033 HydrophobicContact CD2-CB 4.04Å; F1027-L1033 HydrophobicContact CD2-CD1 3.97Å; F1027-L1033 HydrophobicContact CE2-CD1 4.22Å; F1027-L1033 HydrophobicContact CG-CB 4.25Å; W1029-L1033 PolarHBondContact O-N 2.59Å; N1030-L1033 WeakPolarHBondContact O-CB 3.43Å; N1030-L1033 PolarHBondContact O-N 2.73Å; N1030-L1033 VanDerWaalsContact O-N 3.08Å; L1033-R1035 PolarHBondContact O-N 2.66Å; L1033-H1036 CarbonylContact O-C 3.52Å; L1033-H1036 WeakPolarHBondContact O-CA 3.5Å; L1033-H1036 WeakPolarHBondContact O-CB 3.28Å; L1033-H1036 PolarHBondContact O-N 3.2Å; L1033-I1037 HydrophobicContact CD1-CD1 3.9Å; L1033-I1037 HydrophobicContact CD1-CG1 3.93Å; L1033-I1037 HydrophobicContact CG-CD1 3.93Å; L1033-I1037 HydrophobicContact CG-CG1 4.42Å; L1033-I1037 PolarHBondContact O-N 3.17Å
1034K88.4Confident86.7Confident140 Ų14083.7 Ų83.761%0.60941%0.414SS*.Hα-helixtrans-54.8-39.8177.4-71.1-169.8175.4-166.50112.5N1030 H1036 I1037 L1038N1030-K1034 PolarHBondContact O-N 2.78Å; N1030-K1034 VanDerWaalsContact OD1-CE 3.26Å; N1030-K1034 WeakPolarHBondContact OD1-CE 3.38Å; N1030-K1034 WeakPolarHBondContact OD1-CG 3.36Å; K1034-H1036 VanDerWaalsContact C-N 3.28Å; K1034-H1036 PolarHBondContact O-N 3.25Å; K1034-I1037 PolarHBondContact O-N 3.37Å; K1034-L1038 WeakPolarHBondContact O-CG 3.35Å; K1034-L1038 PolarHBondContact O-N 2.93Å
1035R82.4Confident86.5Confident120 Ų12078.8 Ų78.845%0.45340%0.397SS..Hα-helixtrans-68-25.5176.6-160.6-166.5-47.9111.416.4113.4S1031 S1032 L1033 T1057S1031-R1035 PolarHBondContact O-NH2 3.22Å; S1032-R1035 PolarHBondContact O-N 3Å; S1032-R1035 PolarHBondContact OG-NH1 3.35Å; S1032-R1035 PolarHBondContact OG-NH2 3.41Å; L1033-R1035 PolarHBondContact O-N 2.66Å; R1035-T1057 HydrophobicContact CG-CG2 3.86Å
1036H88.1Confident86.4Confident14 Ų1477.5 Ų77.57%0.06539%0.39CS..Hα-helixtrans-87.9-31.4176.2168.865.7000112.6C1018 C1023 Q1025 F1027 S1032 L1033 K1034 L1038 T1039 H1040C1018-H1036 PolarHBondContact SG-CD2 3.25Å; C1023-H1036 PolarHBondContact SG-CE1 3.2Å; C1023-H1036 PolarHBondContact SG-NE2 2.93Å; Q1025-H1036 VanDerWaalsContact CD-CE1 3.46Å; Q1025-H1036 PolarHBondContact OE1-CE1 3.26Å; F1027-H1036 HydrophobicContact CE1-CB 3.98Å; F1027-H1036 HydrophobicContact CE2-CB 3.92Å; F1027-H1036 AromaticContact CE2-CD2 3.26Å; F1027-H1036 WeakPolarHBondContact CE2-CD2 3.38Å; F1027-H1036 AromaticContact CE2-CG 3.65Å; F1027-H1036 AromaticContact CE2-NE2 3.99Å; F1027-H1036 HydrophobicContact CZ-CB 3.45Å; F1027-H1036 VanDerWaalsContact CZ-CB 3.45Å; F1027-H1036 AromaticContact CZ-CD2 3.38Å; F1027-H1036 WeakPolarHBondContact CZ-CD2 3.49Å; F1027-H1036 AromaticContact CZ-CG 3.27Å; F1027-H1036 AromaticContact CZ-ND1 3.9Å; S1032-H1036 PolarHBondContact O-N 2.9Å; S1032-H1036 VanDerWaalsContact O-N 3.15Å; L1033-H1036 CarbonylContact O-C 3.52Å; L1033-H1036 WeakPolarHBondContact O-CA 3.5Å; L1033-H1036 WeakPolarHBondContact O-CB 3.28Å; L1033-H1036 PolarHBondContact O-N 3.2Å; K1034-H1036 VanDerWaalsContact C-N 3.28Å; K1034-H1036 PolarHBondContact O-N 3.25Å; H1036-L1038 PolarHBondContact O-N 3.23Å; H1036-T1039 PolarHBondContact ND1-OG1 2.97Å; H1036-T1039 WeakPolarHBondContact O-CA 3.49Å; H1036-T1039 WeakPolarHBondContact O-CB 3.47Å; H1036-T1039 PolarHBondContact O-N 3.3Å; H1036-T1039 PolarHBondContact O-OG1 3.11Å; H1036-H1040 AromaticContact CD2-NE2 3.92Å; H1036-H1040 AromaticContact CE1-CD2 3.92Å; H1036-H1040 AromaticContact CE1-NE2 3.13Å; H1036-H1040 PolarHBondContact CE1-NE2 2.66Å; H1036-H1040 AromaticContact NE2-CD2 3.76Å; H1036-H1040 AromaticContact NE2-NE2 3.03Å; H1036-H1040 PolarHBondContact NE2-NE2 3.42Å; H1036-H1040 PolarHBondContact O-CD2 3.5Å
1037I87.6Confident86.3Confident49 Ų4973.5 Ų73.525%0.25138%0.382SS..Hα-helixtrans-57.6-39.6167.6-69.3168000109.6P1019 I1020 L1033 K1034 T1039 H1040 T1041P1019-I1037 HydrophobicContact CG-CD1 4.25Å; I1020-I1037 HydrophobicContact CD1-CG1 4.46Å; I1020-I1037 HydrophobicContact CD1-CG2 4.23Å; L1033-I1037 HydrophobicContact CD1-CD1 3.9Å; L1033-I1037 HydrophobicContact CD1-CG1 3.93Å; L1033-I1037 HydrophobicContact CG-CD1 3.93Å; L1033-I1037 HydrophobicContact CG-CG1 4.42Å; L1033-I1037 PolarHBondContact O-N 3.17Å; K1034-I1037 PolarHBondContact O-N 3.37Å; I1037-T1039 PolarHBondContact O-N 3.12Å; I1037-H1040 PolarHBondContact O-N 2.72Å; I1037-T1041 HydrophobicContact CG2-CG2 4.31Å; I1037-T1041 PolarHBondContact O-N 2.99Å; I1037-T1041 PolarHBondContact O-OG1 3.01Å
1038L85.5Confident86.3Confident51 Ų5172.6 Ų72.627%0.26738%0.379SS..THydrogen-bonded Turntrans-66.310168.4-63.7174.8000115.7K1034 H1036 S1056K1034-L1038 WeakPolarHBondContact O-CG 3.35Å; K1034-L1038 PolarHBondContact O-N 2.93Å; H1036-L1038 PolarHBondContact O-N 3.23Å; L1038-S1056 VanDerWaalsContact O-CB 3.25Å; L1038-S1056 WeakPolarHBondContact O-CB 3.31Å
1039T81.5Confident86.3Confident88 Ų8875.6 Ų75.654%0.5440%0.397SS..THydrogen-bonded Turntrans-109.3-11.5165.561.40000113.5H1036 I1037H1036-T1039 PolarHBondContact ND1-OG1 2.97Å; H1036-T1039 WeakPolarHBondContact O-CA 3.49Å; H1036-T1039 WeakPolarHBondContact O-CB 3.47Å; H1036-T1039 PolarHBondContact O-N 3.3Å; H1036-T1039 PolarHBondContact O-OG1 3.11Å; I1037-T1039 PolarHBondContact O-N 3.12Å
1040H83.2Confident86.2Confident76 Ų7677.3 Ų77.335%0.35240%0.403SS..THydrogen-bonded Turntrans-98-40.8172.3-63.9-71000111.7I1020 C1023 H1036 I1037I1020-H1040 HydrophobicContact CD1-CB 3.47Å; I1020-H1040 VanDerWaalsContact CD1-CB 3.47Å; I1020-H1040 HydrophobicContact CG2-CB 4.34Å; C1023-H1040 VanDerWaalsContact CB-CE1 3.41Å; C1023-H1040 WeakPolarHBondContact CB-CE1 3.43Å; C1023-H1040 WeakPolarHBondContact CB-NE2 3.49Å; C1023-H1040 PolarHBondContact SG-CE1 2.85Å; C1023-H1040 PolarHBondContact SG-NE2 3.31Å; H1036-H1040 AromaticContact CD2-NE2 3.92Å; H1036-H1040 AromaticContact CE1-CD2 3.92Å; H1036-H1040 AromaticContact CE1-NE2 3.13Å; H1036-H1040 PolarHBondContact CE1-NE2 2.66Å; H1036-H1040 AromaticContact NE2-CD2 3.76Å; H1036-H1040 AromaticContact NE2-NE2 3.03Å; H1036-H1040 PolarHBondContact NE2-NE2 3.42Å; H1036-H1040 PolarHBondContact O-CD2 3.5Å; I1037-H1040 PolarHBondContact O-N 2.72Å
1041T80.4Confident86.4Confident50 Ų5075.3 Ų75.331%0.30740%0.395SS..SBendtrans-70.7135.6173.2590000110.2I1037 H1043I1037-T1041 HydrophobicContact CG2-CG2 4.31Å; I1037-T1041 PolarHBondContact O-N 2.99Å; I1037-T1041 PolarHBondContact O-OG1 3.01Å; T1041-H1043 PolarHBondContact O-N 2.88Å; T1041-H1043 VanDerWaalsContact O-N 3.16Å
1042P75.7Confident86.5Confident121 Ų12178.3 Ų78.379%0.78641%0.411SS*.SBendtrans-64.8-18.517626.9-34.8000113K1044P1042-K1044 WeakPolarHBondContact O-CG 3.4Å; P1042-K1044 PolarHBondContact O-N 3.07Å
1043H79.5Confident86.6Confident128 Ų12883.6 Ų83.659%0.59343%0.431SS*.  trans-63.799.7180-169.5-99.3000112.7T1041 P1045T1041-H1043 PolarHBondContact O-N 2.88Å; T1041-H1043 VanDerWaalsContact O-N 3.16Å; H1043-P1045 VanDerWaalsContact O-CD 3.27Å; H1043-P1045 WeakPolarHBondContact O-CD 3.48Å
1044K84.3Confident86.6Confident112 Ų11285.4 Ų85.449%0.48744%0.444SS..  trans-108.985.8179.2-69.1167.4-162164.80109.2P1042 F1046 S1054 F1055P1042-K1044 WeakPolarHBondContact O-CG 3.4Å; P1042-K1044 PolarHBondContact O-N 3.07Å; K1044-F1046 PolarHBondContact O-N 3.47Å; K1044-S1054 WeakPolarHBondContact CD-O 3.16Å; K1044-S1054 WeakPolarHBondContact O-CB 3.37Å; K1044-F1055 CarbonylContact C-O 3.59Å; K1044-F1055 VanDerWaalsContact C-O 3.32Å
1045P84.5Confident86.8Confident65 Ų6580.8 Ų80.842%0.42243%0.425SS..  trans-68.2-5.8-164.724.6-34.7000115.9H1043H1043-P1045 VanDerWaalsContact O-CD 3.27Å; H1043-P1045 WeakPolarHBondContact O-CD 3.48Å
1046F91.3Very high87.1Confident76 Ų7676.3 Ų76.333%0.33341%0.411SS..EExtended strand (participates in β ladder)trans-107.173.6-179-55.7-77.2000111K1044 F1055 T1057 K1058 R1061K1044-F1046 PolarHBondContact O-N 3.47Å; F1046-F1055 HydrophobicContact CB-CB 4.41Å; F1046-F1055 WeakPolarHBondContact CB-O 3.38Å; F1046-F1055 PolarHBondContact N-O 3.03Å; F1046-F1055 PolarHBondContact O-N 3.05Å; F1046-T1057 VanDerWaalsContact CD2-CA 3.41Å; F1046-K1058 HydrophobicContact CD1-CB 3.79Å; F1046-K1058 VanDerWaalsContact CD2-N 3.27Å; F1046-K1058 HydrophobicContact CE1-CB 3.8Å; F1046-K1058 HydrophobicContact CG-CB 4.25Å; F1046-K1058 HydrophobicContact CZ-CB 4.25Å; F1046-R1061 HydrophobicContact CB-CB 4.15Å
1047A90.4Very high87.1Confident50 Ų5076.7 Ų76.741%0.41342%0.415SS..EExtended strand (participates in β ladder)trans-60.1135.2171.800000112S1054 R1061A1047-S1054 WeakPolarHBondContact CA-OG 3.47Å; A1047-R1061 VanDerWaalsContact O-CD 3.29Å; A1047-R1061 WeakPolarHBondContact O-CD 3.44Å; A1047-R1061 PolarHBondContact O-NE 2.87Å
1048C92.9Very high87.3Confident11 Ų1180 Ų807%0.07443%0.428CS..  trans-67.5137.7166.7-1800000109.8R1050 C1051 K1053 F1055 H1064 M1065C1048-R1050 VanDerWaalsContact C-N 3.31Å; C1048-R1050 PolarHBondContact SG-N 3.15Å; C1048-R1050 VanDerWaalsContact SG-N 3.37Å; C1048-C1051 CarbonylContact C-O 3.56Å; C1048-C1051 VanDerWaalsContact CB-O 3.3Å; C1048-C1051 WeakPolarHBondContact CB-O 3.37Å; C1048-K1053 WeakPolarHBondContact CB-O 3.39Å; C1048-K1053 PolarHBondContact N-O 3.02Å; C1048-F1055 HydrophobicContact CB-CE2 4.35Å; C1048-H1064 VanDerWaalsContact SG-CD2 3.56Å; C1048-H1064 PolarHBondContact SG-NE2 2.75Å; C1048-M1065 HydrophobicContact CB-CE 4.38Å; C1048-M1065 WeakPolarHBondContact SG-CE 3.36Å; C1048-M1065 VanDerWaalsContact SG-SD 3.64Å
1049T89.6Confident87.5Confident108 Ų10880.7 Ų80.766%0.66344%0.436SS*.SBendtrans-9211.9177.247.20000113R1061 M1065T1049-R1061 VanDerWaalsContact CG2-NH2 3.34Å; T1049-R1061 PolarHBondContact OG1-NH2 3.26Å; T1049-R1061 VanDerWaalsContact OG1-NH2 3.12Å; T1049-M1065 VanDerWaalsContact N-CE 3.34Å; T1049-M1065 WeakPolarHBondContact OG1-CE 3.44Å
1050R88.5Confident88.1Confident166 Ų16679.2 Ų79.263%0.62643%0.425SS*.SBendtrans-132.81.5175.8-71.9-170.5172.2-161.9-4.1113.8C1048 M1065 H1069C1048-R1050 VanDerWaalsContact C-N 3.31Å; C1048-R1050 PolarHBondContact SG-N 3.15Å; C1048-R1050 VanDerWaalsContact SG-N 3.37Å; R1050-M1065 HydrophobicContact CB-SD 4.45Å; R1050-H1069 VanDerWaalsContact CB-CE1 3.48Å; R1050-H1069 WeakPolarHBondContact CB-CE1 3.43Å; R1050-H1069 PolarHBondContact O-CE1 3.32Å
1051C92.7Very high88.6Confident43 Ų4378.6 Ų78.629%0.29142%0.42SS..SBendtrans-165.4165.616364.80000109.5C1048 K1053 H1064C1048-C1051 CarbonylContact C-O 3.56Å; C1048-C1051 VanDerWaalsContact CB-O 3.3Å; C1048-C1051 WeakPolarHBondContact CB-O 3.37Å; C1051-K1053 PolarHBondContact O-N 2.79Å; C1051-H1064 VanDerWaalsContact SG-CE1 3.55Å; C1051-H1064 PolarHBondContact SG-NE2 3.42Å
1052T88.6Confident89Confident143 Ų14380.5 Ų80.588%0.87743%0.425SS*.SBendtrans-66.28-176.353.50000115.9S1054T1052-S1054 PolarHBondContact O-N 3.43Å
1053K92.8Very high89.8Confident132 Ų13280.4 Ų80.457%0.57441%0.409SS*.  trans-82.7112.2-174.7-65.4-175.8-179.9179.20111.4C1048 C1051 F1055C1048-K1053 WeakPolarHBondContact CB-O 3.39Å; C1048-K1053 PolarHBondContact N-O 3.02Å; C1051-K1053 PolarHBondContact O-N 2.79Å; K1053-F1055 HydrophobicContact CB-CE2 4.02Å; K1053-F1055 HydrophobicContact CB-CZ 4.04Å; K1053-F1055 WeakPolarHBondContact O-CD2 2.92Å; K1053-F1055 WeakPolarHBondContact O-CE2 3.47Å
1054S91Very high90.5Very high50 Ų5075.2 Ų75.235%0.3539%0.385SS..EExtended strand (participates in β ladder)trans-99143.9178.4-640000113.3K1044 A1047 T1052K1044-S1054 WeakPolarHBondContact CD-O 3.16Å; K1044-S1054 WeakPolarHBondContact O-CB 3.37Å; A1047-S1054 WeakPolarHBondContact CA-OG 3.47Å; T1052-S1054 PolarHBondContact O-N 3.43Å
1055F92.6Very high90.8Very high44 Ų4471.6 Ų71.619%0.19337%0.37CS..EExtended strand (participates in β ladder)trans-125149.6-173.5-59.9-86.6000112.7K1044 F1046 C1048 K1053 T1057 N1060 R1061 H1064K1044-F1055 CarbonylContact C-O 3.59Å; K1044-F1055 VanDerWaalsContact C-O 3.32Å; F1046-F1055 HydrophobicContact CB-CB 4.41Å; F1046-F1055 WeakPolarHBondContact CB-O 3.38Å; F1046-F1055 PolarHBondContact N-O 3.03Å; F1046-F1055 PolarHBondContact O-N 3.05Å; C1048-F1055 HydrophobicContact CB-CE2 4.35Å; K1053-F1055 HydrophobicContact CB-CE2 4.02Å; K1053-F1055 HydrophobicContact CB-CZ 4.04Å; K1053-F1055 WeakPolarHBondContact O-CD2 2.92Å; K1053-F1055 WeakPolarHBondContact O-CE2 3.47Å; F1055-T1057 VanDerWaalsContact C-N 3.29Å; F1055-T1057 PolarHBondContact O-N 3.1Å; F1055-N1060 HydrophobicContact CB-CB 4.12Å; F1055-N1060 HydrophobicContact CD1-CB 3.94Å; F1055-N1060 HydrophobicContact CG-CB 4.26Å; F1055-R1061 HydrophobicContact CB-CB 4.3Å; F1055-R1061 HydrophobicContact CD2-CB 3.77Å; F1055-R1061 HydrophobicContact CD2-CG 4.35Å; F1055-R1061 HydrophobicContact CG-CB 4.25Å; F1055-H1064 HydrophobicContact CE1-CB 4.05Å; F1055-H1064 HydrophobicContact CE2-CB 3.82Å; F1055-H1064 AromaticContact CE2-CD2 3.44Å; F1055-H1064 VanDerWaalsContact CE2-CD2 3.44Å; F1055-H1064 WeakPolarHBondContact CE2-CD2 3.48Å; F1055-H1064 AromaticContact CE2-CG 3.62Å; F1055-H1064 HydrophobicContact CZ-CB 3.42Å; F1055-H1064 VanDerWaalsContact CZ-CB 3.42Å; F1055-H1064 AromaticContact CZ-CD2 3.66Å; F1055-H1064 AromaticContact CZ-CG 3.33Å; F1055-H1064 AromaticContact CZ-ND1 3.89Å
1056S88.5Confident91.1Very high25 Ų2574.3 Ų74.318%0.17538%0.377CS..SBendtrans-77.6-8.5175.555.50000114.1L1038L1038-S1056 VanDerWaalsContact O-CB 3.25Å; L1038-S1056 WeakPolarHBondContact O-CB 3.31Å
1057T89Confident91Very high23 Ų2378.9 Ų78.914%0.14139%0.392CS..SBendtrans-141.7144.5171.668.70000112.9R1035 F1046 F1055 S1059 N1060 R1061R1035-T1057 HydrophobicContact CG-CG2 3.86Å; F1046-T1057 VanDerWaalsContact CD2-CA 3.41Å; F1055-T1057 VanDerWaalsContact C-N 3.29Å; F1055-T1057 PolarHBondContact O-N 3.1Å; T1057-S1059 VanDerWaalsContact C-N 3.25Å; T1057-S1059 PolarHBondContact O-N 3.06Å; T1057-S1059 PolarHBondContact OG1-OG 3.01Å; T1057-N1060 PolarHBondContact O-N 3.2Å; T1057-N1060 WeakPolarHBondContact OG1-CB 3.49Å; T1057-N1060 VanDerWaalsContact OG1-CG 3.28Å; T1057-N1060 PolarHBondContact OG1-N 2.88Å; T1057-N1060 PolarHBondContact OG1-ND2 3.43Å; T1057-R1061 PolarHBondContact O-N 2.89Å
1058K91.4Very high90.9Very high119 Ų11979.7 Ų79.752%0.51739%0.392SS..Hα-helixtrans-51.5-41.9172.2178.2169.3171.8171.60112.6F1046 N1060 R1061 E1062F1046-K1058 HydrophobicContact CD1-CB 3.79Å; F1046-K1058 VanDerWaalsContact CD2-N 3.27Å; F1046-K1058 HydrophobicContact CE1-CB 3.8Å; F1046-K1058 HydrophobicContact CG-CB 4.25Å; F1046-K1058 HydrophobicContact CZ-CB 4.25Å; K1058-N1060 VanDerWaalsContact C-N 3.32Å; K1058-N1060 PolarHBondContact O-N 2.75Å; K1058-R1061 WeakPolarHBondContact O-CB 3.27Å; K1058-R1061 PolarHBondContact O-N 3.13Å; K1058-E1062 WeakPolarHBondContact CE-OE1 3.16Å; K1058-E1062 HydrophobicContact CG-CG 4.38Å; K1058-E1062 WeakPolarHBondContact CG-OE1 3.43Å; K1058-E1062 WeakPolarHBondContact O-CG 3.49Å; K1058-E1062 PolarHBondContact O-N 3.22Å
1059S89.6Confident90.8Very high64 Ų6480.8 Ų80.845%0.44840%0.396SS..Hα-helixtrans-68.5-25179.354.90000114.7T1057 E1062 R1063T1057-S1059 VanDerWaalsContact C-N 3.25Å; T1057-S1059 PolarHBondContact O-N 3.06Å; T1057-S1059 PolarHBondContact OG1-OG 3.01Å; S1059-E1062 WeakPolarHBondContact CA-OE2 3.49Å; S1059-R1063 WeakPolarHBondContact O-CB 3.41Å; S1059-R1063 PolarHBondContact O-N 3.22Å; S1059-R1063 VanDerWaalsContact O-N 3.12Å
1060N93Very high90.2Very high58 Ų5884.5 Ų84.531%0.3140%0.398SS..Hα-helixtrans-77.7-39.1171.9-76.6-13.8000110.8F1055 T1057 K1058 R1063 H1064F1055-N1060 HydrophobicContact CB-CB 4.12Å; F1055-N1060 HydrophobicContact CD1-CB 3.94Å; F1055-N1060 HydrophobicContact CG-CB 4.26Å; T1057-N1060 PolarHBondContact O-N 3.2Å; T1057-N1060 WeakPolarHBondContact OG1-CB 3.49Å; T1057-N1060 VanDerWaalsContact OG1-CG 3.28Å; T1057-N1060 PolarHBondContact OG1-N 2.88Å; T1057-N1060 PolarHBondContact OG1-ND2 3.43Å; K1058-N1060 VanDerWaalsContact C-N 3.32Å; K1058-N1060 PolarHBondContact O-N 2.75Å; N1060-R1063 PolarHBondContact O-N 2.86Å; N1060-R1063 PolarHBondContact OD1-NH1 3Å; N1060-H1064 WeakPolarHBondContact O-CB 3.35Å; N1060-H1064 PolarHBondContact O-N 3.44Å
1061R93.9Very high89.1Confident62 Ų6279.5 Ų79.523%0.23439%0.386CS..Hα-helixtrans-58.2-46.9169.4176.2-169.9178.8-100.94.9111.6F1046 A1047 T1049 F1055 T1057 K1058 H1064 M1065F1046-R1061 HydrophobicContact CB-CB 4.15Å; A1047-R1061 VanDerWaalsContact O-CD 3.29Å; A1047-R1061 WeakPolarHBondContact O-CD 3.44Å; A1047-R1061 PolarHBondContact O-NE 2.87Å; T1049-R1061 VanDerWaalsContact CG2-NH2 3.34Å; T1049-R1061 PolarHBondContact OG1-NH2 3.26Å; T1049-R1061 VanDerWaalsContact OG1-NH2 3.12Å; F1055-R1061 HydrophobicContact CB-CB 4.3Å; F1055-R1061 HydrophobicContact CD2-CB 3.77Å; F1055-R1061 HydrophobicContact CD2-CG 4.35Å; F1055-R1061 HydrophobicContact CG-CB 4.25Å; T1057-R1061 PolarHBondContact O-N 2.89Å; K1058-R1061 WeakPolarHBondContact O-CB 3.27Å; K1058-R1061 PolarHBondContact O-N 3.13Å; R1061-H1064 WeakPolarHBondContact O-CB 3.3Å; R1061-H1064 PolarHBondContact O-N 2.81Å; R1061-M1065 WeakPolarHBondContact O-CG 3.19Å; R1061-M1065 PolarHBondContact O-N 2.96Å
1062E90.5Very high87.4Confident91 Ų9180.8 Ų80.843%0.42540%0.395SS..Hα-helixtrans-62.7-45.5178.2-73.3163.8168.200112.3K1058 S1059 H1064 M1065 E1066K1058-E1062 WeakPolarHBondContact CE-OE1 3.16Å; K1058-E1062 HydrophobicContact CG-CG 4.38Å; K1058-E1062 WeakPolarHBondContact CG-OE1 3.43Å; K1058-E1062 WeakPolarHBondContact O-CG 3.49Å; K1058-E1062 PolarHBondContact O-N 3.22Å; S1059-E1062 WeakPolarHBondContact CA-OE2 3.49Å; E1062-H1064 VanDerWaalsContact C-N 3.27Å; E1062-H1064 PolarHBondContact O-N 2.97Å; E1062-M1065 WeakPolarHBondContact O-CB 3.34Å; E1062-M1065 PolarHBondContact O-N 3.38Å; E1062-E1066 WeakPolarHBondContact O-CB 3.46Å; E1062-E1066 PolarHBondContact O-N 3.3Å
1063R91.3Very high85.6Confident118 Ų11878.2 Ų78.245%0.44538%0.376SS..Hα-helixtrans-62.1-35.4174.3-175.5-174.9-63.8137.63.9112.4S1059 N1060 R1067S1059-R1063 WeakPolarHBondContact O-CB 3.41Å; S1059-R1063 PolarHBondContact O-N 3.22Å; S1059-R1063 VanDerWaalsContact O-N 3.12Å; N1060-R1063 PolarHBondContact O-N 2.86Å; N1060-R1063 PolarHBondContact OD1-NH1 3Å; R1063-R1067 WeakPolarHBondContact O-CB 3.47Å; R1063-R1067 VanDerWaalsContact O-CG 3.28Å; R1063-R1067 WeakPolarHBondContact O-CG 3.36Å; R1063-R1067 PolarHBondContact O-N 2.94Å
1064H94.2Very high83.7Confident20 Ų2079.1 Ų79.19%0.09338%0.38CS..Hα-helixtrans-68.2-45.6174159.771.6000111.5C1048 C1051 F1055 N1060 R1061 E1062 E1066 R1067 V1068 H1069C1048-H1064 VanDerWaalsContact SG-CD2 3.56Å; C1048-H1064 PolarHBondContact SG-NE2 2.75Å; C1051-H1064 VanDerWaalsContact SG-CE1 3.55Å; C1051-H1064 PolarHBondContact SG-NE2 3.42Å; F1055-H1064 HydrophobicContact CE1-CB 4.05Å; F1055-H1064 HydrophobicContact CE2-CB 3.82Å; F1055-H1064 AromaticContact CE2-CD2 3.44Å; F1055-H1064 VanDerWaalsContact CE2-CD2 3.44Å; F1055-H1064 WeakPolarHBondContact CE2-CD2 3.48Å; F1055-H1064 AromaticContact CE2-CG 3.62Å; F1055-H1064 HydrophobicContact CZ-CB 3.42Å; F1055-H1064 VanDerWaalsContact CZ-CB 3.42Å; F1055-H1064 AromaticContact CZ-CD2 3.66Å; F1055-H1064 AromaticContact CZ-CG 3.33Å; F1055-H1064 AromaticContact CZ-ND1 3.89Å; N1060-H1064 WeakPolarHBondContact O-CB 3.35Å; N1060-H1064 PolarHBondContact O-N 3.44Å; R1061-H1064 WeakPolarHBondContact O-CB 3.3Å; R1061-H1064 PolarHBondContact O-N 2.81Å; E1062-H1064 VanDerWaalsContact C-N 3.27Å; E1062-H1064 PolarHBondContact O-N 2.97Å; H1064-E1066 VanDerWaalsContact C-N 3.31Å; H1064-E1066 PolarHBondContact O-N 3.3Å; H1064-R1067 PolarHBondContact O-N 2.96Å; H1064-V1068 WeakPolarHBondContact ND1-CG2 3.33Å; H1064-V1068 WeakPolarHBondContact O-CB 3.47Å; H1064-V1068 PolarHBondContact O-N 2.78Å; H1064-H1069 AromaticContact CE1-NE2 3.81Å; H1064-H1069 AromaticContact NE2-CD2 3.77Å; H1064-H1069 AromaticContact NE2-NE2 3.43Å; H1064-H1069 PolarHBondContact NE2-NE2 2.83Å
1065M91.6Very high81.8Confident35 Ų3585 Ų8517%0.17239%0.394CS..Iπ-helixtrans-55.1-45.8172.9-74-70.3-165.500112C1048 T1049 R1050 R1061 E1062 H1069 R1070C1048-M1065 HydrophobicContact CB-CE 4.38Å; C1048-M1065 WeakPolarHBondContact SG-CE 3.36Å; C1048-M1065 VanDerWaalsContact SG-SD 3.64Å; T1049-M1065 VanDerWaalsContact N-CE 3.34Å; T1049-M1065 WeakPolarHBondContact OG1-CE 3.44Å; R1050-M1065 HydrophobicContact CB-SD 4.45Å; R1061-M1065 WeakPolarHBondContact O-CG 3.19Å; R1061-M1065 PolarHBondContact O-N 2.96Å; E1062-M1065 WeakPolarHBondContact O-CB 3.34Å; E1062-M1065 PolarHBondContact O-N 3.38Å; M1065-H1069 CarbonylContact O-C 3.52Å; M1065-H1069 WeakPolarHBondContact O-CA 3.43Å; M1065-H1069 PolarHBondContact O-N 3.12Å; M1065-H1069 HydrophobicContact SD-CB 4.43Å; M1065-R1070 PolarHBondContact O-N 3.09Å
1066E89.9Confident79.6Confident122 Ų12287.2 Ų87.257%0.5741%0.405SS*.Iπ-helixtrans-62-49.8177.5-174.4175.4-131.900111.8E1062 H1064 R1070 V1071E1062-E1066 WeakPolarHBondContact O-CB 3.46Å; E1062-E1066 PolarHBondContact O-N 3.3Å; H1064-E1066 VanDerWaalsContact C-N 3.31Å; H1064-E1066 PolarHBondContact O-N 3.3Å; E1066-R1070 WeakPolarHBondContact O-CB 3.31Å; E1066-V1071 PolarHBondContact O-N 3Å
1067R88.6Confident77.8Confident172 Ų17295 Ų9565%0.64943%0.43SS*.Iπ-helixtrans-77.2-31.1-174.5-71.5177.3177.3-168.5-5.8115.3R1063 H1064 V1071R1063-R1067 WeakPolarHBondContact O-CB 3.47Å; R1063-R1067 VanDerWaalsContact O-CG 3.28Å; R1063-R1067 WeakPolarHBondContact O-CG 3.36Å; R1063-R1067 PolarHBondContact O-N 2.94Å; H1064-R1067 PolarHBondContact O-N 2.96Å; R1067-V1071 WeakPolarHBondContact O-CB 3.35Å; R1067-V1071 WeakPolarHBondContact O-CG2 3.29Å
1068V89.6Confident76.2Confident67 Ų6799.3 Ų99.341%0.40645%0.449SS..Iπ-helixtrans-102.7-47.1-174.7-179.50000110.9H1064 S1072H1064-V1068 WeakPolarHBondContact ND1-CG2 3.33Å; H1064-V1068 WeakPolarHBondContact O-CB 3.47Å; H1064-V1068 PolarHBondContact O-N 2.78Å; V1068-S1072 PolarHBondContact O-OG 2.89Å
1069H90.4Very high74.5Confident35 Ų35103 Ų10316%0.16246%0.46CS..Iπ-helixtrans-97.7-29.3-171-61.1-70000114R1050 H1064 M1065R1050-H1069 VanDerWaalsContact CB-CE1 3.48Å; R1050-H1069 WeakPolarHBondContact CB-CE1 3.43Å; R1050-H1069 PolarHBondContact O-CE1 3.32Å; H1064-H1069 AromaticContact CE1-NE2 3.81Å; H1064-H1069 AromaticContact NE2-CD2 3.77Å; H1064-H1069 AromaticContact NE2-NE2 3.43Å; H1064-H1069 PolarHBondContact NE2-NE2 2.83Å; M1065-H1069 CarbonylContact O-C 3.52Å; M1065-H1069 WeakPolarHBondContact O-CA 3.43Å; M1065-H1069 PolarHBondContact O-N 3.12Å; M1065-H1069 HydrophobicContact SD-CB 4.43Å
1070R76.4Confident72.5Confident186 Ų186106.5 Ų106.570%0.70247%0.467SS*.Iπ-helixtrans-85.1-29.9172.3-73.2-172.5166.6-167-6113.9M1065 E1066 S1072 K1074M1065-R1070 PolarHBondContact O-N 3.09Å; E1066-R1070 WeakPolarHBondContact O-CB 3.31Å; R1070-S1072 VanDerWaalsContact C-N 3.34Å; R1070-K1074 PolarHBondContact O-N 3.29Å
1071V64.7Low70.6Confident61 Ų61111 Ų11137%0.3749%0.486SS..Hα-helixtrans-65.8-35.7174.8172.20000111.8E1066 R1067 L1073 K1074 R1075E1066-V1071 PolarHBondContact O-N 3Å; R1067-V1071 WeakPolarHBondContact O-CB 3.35Å; R1067-V1071 WeakPolarHBondContact O-CG2 3.29Å; V1071-L1073 PolarHBondContact O-N 3.06Å; V1071-K1074 PolarHBondContact O-N 3.26Å; V1071-K1074 VanDerWaalsContact O-N 3.11Å; V1071-R1075 HydrophobicContact CG1-CG 4.15Å; V1071-R1075 PolarHBondContact O-N 3.17Å
1072S57Low68.5Low70 Ų70114.9 Ų114.949%0.4951%0.507SS..Hα-helixtrans-58.4-49.5177.1-60.40000112.3V1068 R1070 K1074 R1075 Q1076V1068-S1072 PolarHBondContact O-OG 2.89Å; R1070-S1072 VanDerWaalsContact C-N 3.34Å; S1072-K1074 VanDerWaalsContact C-N 3.25Å; S1072-K1074 PolarHBondContact O-N 3.04Å; S1072-R1075 PolarHBondContact O-N 3.47Å; S1072-R1075 VanDerWaalsContact O-N 3.17Å; S1072-Q1076 WeakPolarHBondContact O-CB 3.47Å; S1072-Q1076 PolarHBondContact O-N 2.98Å
1073L51Low66.4Low89 Ų89114.1 Ų114.147%0.46651%0.511SS..Hα-helixtrans-57.3-38.3174.1-68.7171.4000112.3V1071 R1077V1071-L1073 PolarHBondContact O-N 3.06Å; L1073-R1077 WeakPolarHBondContact O-CG 3.19Å; L1073-R1077 PolarHBondContact O-N 3.13Å
1074K53.9Low63.8Low150 Ų150114.3 Ų114.365%0.65252%0.522SS*.Hα-helixtrans-72.4-36178.9-156.5175.4-173.8-177.30112.6R1070 V1071 S1072 Q1078R1070-K1074 PolarHBondContact O-N 3.29Å; V1071-K1074 PolarHBondContact O-N 3.26Å; V1071-K1074 VanDerWaalsContact O-N 3.11Å; S1072-K1074 VanDerWaalsContact C-N 3.25Å; S1072-K1074 PolarHBondContact O-N 3.04Å; K1074-Q1078 WeakPolarHBondContact O-CG 3.46Å; K1074-Q1078 PolarHBondContact O-N 3.45Å; K1074-Q1078 VanDerWaalsContact O-N 3.1Å
1075R50.6Low61Low174 Ų174120.8 Ų120.866%0.65755%0.554SS**Hα-helixtrans-68.7-39.3172.7-77.8-177.8166.3-171.9-6.1112.2V1071 S1072 Q1078 R1079V1071-R1075 HydrophobicContact CG1-CG 4.15Å; V1071-R1075 PolarHBondContact O-N 3.17Å; S1072-R1075 PolarHBondContact O-N 3.47Å; S1072-R1075 VanDerWaalsContact O-N 3.17Å; R1075-Q1078 PolarHBondContact O-N 2.94Å; R1075-Q1078 VanDerWaalsContact O-N 3.13Å; R1075-R1079 PolarHBondContact O-N 3.44Å
1076Q45.9Very low58.1Low91 Ų91124.2 Ų124.243%0.42558%0.581SS.*Hα-helixtrans-61.6-48.2175.8-167.6172.35.400110.8S1072 Q1078 R1079 F1080S1072-Q1076 WeakPolarHBondContact O-CB 3.47Å; S1072-Q1076 PolarHBondContact O-N 2.98Å; Q1076-Q1078 PolarHBondContact O-N 3.1Å; Q1076-R1079 PolarHBondContact O-N 3.19Å; Q1076-R1079 VanDerWaalsContact O-N 3.09Å; Q1076-F1080 HydrophobicContact CG-CE2 4.28Å; Q1076-F1080 WeakPolarHBondContact O-CD2 3.43Å; Q1076-F1080 PolarHBondContact O-N 3.12Å
1077R52.2Low55.3Low187 Ų187125.5 Ų125.571%0.70659%0.59SS**Hα-helixtrans-61.9-27.1172.1-70.5-178.1-179.3-162.8-2.3114L1073 H1081L1073-R1077 WeakPolarHBondContact O-CG 3.19Å; L1073-R1077 PolarHBondContact O-N 3.13Å; R1077-H1081 PolarHBondContact O-CD2 3.41Å; R1077-H1081 PolarHBondContact O-N 3.04Å
1078Q55.3Low52.4Low114 Ų114125.9 Ų125.953%0.53360%0.6SS.*Hα-helixtrans-74.7-32.8172.9-76.2-179.2-67.200112.9K1074 R1075 Q1076 H1081 Q1082K1074-Q1078 WeakPolarHBondContact O-CG 3.46Å; K1074-Q1078 PolarHBondContact O-N 3.45Å; K1074-Q1078 VanDerWaalsContact O-N 3.1Å; R1075-Q1078 PolarHBondContact O-N 2.94Å; R1075-Q1078 VanDerWaalsContact O-N 3.13Å; Q1076-Q1078 PolarHBondContact O-N 3.1Å; Q1078-H1081 PolarHBondContact O-N 3.15Å; Q1078-Q1082 WeakPolarHBondContact O-CG 3.27Å; Q1078-Q1082 PolarHBondContact O-N 2.65Å
1079R54.1Low49.4Very low196 Ų196127.8 Ų127.874%0.7462%0.616SS**Hα-helixtrans-64.1-45.7172.3-72.4-178.6173.4179.6-5.2111.8R1075 Q1076 H1081 Q1082 S1083R1075-R1079 PolarHBondContact O-N 3.44Å; Q1076-R1079 PolarHBondContact O-N 3.19Å; Q1076-R1079 VanDerWaalsContact O-N 3.09Å; R1079-H1081 PolarHBondContact O-N 3.07Å; R1079-Q1082 WeakPolarHBondContact O-CA 3.44Å; R1079-Q1082 PolarHBondContact O-N 2.74Å; R1079-S1083 PolarHBondContact O-N 2.98Å; R1079-S1083 PolarHBondContact O-OG 3.28Å
1080F49.1Very low47Very low139 Ų139132.2 Ų132.261%0.6165%0.648SS**Hα-helixtrans-58.2-29.8173.6-81-71.8000113.8Q1076 S1083 N1084Q1076-F1080 HydrophobicContact CG-CE2 4.28Å; Q1076-F1080 WeakPolarHBondContact O-CD2 3.43Å; Q1076-F1080 PolarHBondContact O-N 3.12Å; F1080-S1083 PolarHBondContact O-OG 2.85Å; F1080-S1083 VanDerWaalsContact O-OG 3.09Å; F1080-N1084 PolarHBondContact O-OD1 3.17Å
1081H53.2Low44.8Very low153 Ų153128.6 Ų128.671%0.70865%0.651SS**Hα-helixtrans-81.3-11.4173.1-83.7-56.3000114.3R1077 Q1078 R1079R1077-H1081 PolarHBondContact O-CD2 3.41Å; R1077-H1081 PolarHBondContact O-N 3.04Å; Q1078-H1081 PolarHBondContact O-N 3.15Å; R1079-H1081 PolarHBondContact O-N 3.07Å
1082Q49.7Very low43.4Very low143 Ų143131.6 Ų131.667%0.66868%0.675SS**Hα-helixtrans-96.7-32.1176-71.5179.2-54.100112.1Q1078 R1079Q1078-Q1082 WeakPolarHBondContact O-CG 3.27Å; Q1078-Q1082 PolarHBondContact O-N 2.65Å; R1079-Q1082 WeakPolarHBondContact O-CA 3.44Å; R1079-Q1082 PolarHBondContact O-N 2.74Å
1083S45.1Very low41.9Very low74 Ų74131.8 Ų131.852%0.51769%0.688SS.*Hα-helixtrans-63.6-40.7173.8520000112.8R1079 F1080 M1085R1079-S1083 PolarHBondContact O-N 2.98Å; R1079-S1083 PolarHBondContact O-OG 3.28Å; F1080-S1083 PolarHBondContact O-OG 2.85Å; F1080-S1083 VanDerWaalsContact O-OG 3.09Å; S1083-M1085 PolarHBondContact O-N 3.13Å
1084N37.6Very low41.2Very low123 Ų123135 Ų13566%0.65871%0.705SS**THydrogen-bonded Turntrans-82.726.3-172.3-69.839.9000114.3F1080F1080-N1084 PolarHBondContact O-OD1 3.17Å
1085M34.1Very low39.9Very low156 Ų156134.6 Ų134.677%0.76871%0.71SS**THydrogen-bonded Turntrans-138.533.9-174.5-75.1-79.4111.700112.7S1083S1083-M1085 PolarHBondContact O-N 3.13Å
1086S31.5Very low38.8Very low107 Ų107137.5 Ų137.575%0.74872%0.721SS**  trans-148.262.6-178.6-64.70000114
1087I30.9Very low38.1Very low149 Ų149137.5 Ų137.576%0.76473%0.731SS**  trans-138.2124.5165.7-62.8-178.3000108.4
1088Q28Very low36.7Very low180 Ų180137.2 Ų137.284%0.84174%0.738SS**  trans62.1145.5167.5-69.4166.93.500118.7
1089S26.6Very low35.5Very low106 Ų106140 Ų14074%0.74176%0.755SS**  cis-169.1160-34.534.20000109.1
1090P41.1Very low34.3Very low129 Ų129136.2 Ų136.284%0.83876%0.759SS**  trans-100165.7-16838.5-36.2000116
1091S30Very low33.2Very low110 Ų110133.4 Ų133.477%0.76977%0.769SS**  trans-156.6155.8167.358.30000112.9
1092S34.4Very low32.1Very low124 Ų124134.8 Ų134.887%0.86778%0.775SS**  trans56.6134.5-175.167.90000118
1093G25.4Very low31Very low74 Ų74134.3 Ų134.376%0.76378%0.777SS**  cis106.5101.4-16.200000116.1
1094D37.2Very low30.3Very low155 Ų155136.4 Ų136.483%0.82979%0.792SS**  trans-160.2177.9159.6-136.1-31000113.5
1095N26Very low29.7Very low142 Ų142137.7 Ų137.776%0.75980%0.799SS**  trans-125.2170.2-153.5-62.5-93.2000117.7
1096R26.7Very low29.3Very low235 Ų235137.3 Ų137.389%0.88780%0.8SS**  112.9130.9127.6-130.9179.6-170.2173.41.5122.1
1097S31.4Very low29Very low91 Ų91139.2 Ų139.264%0.63680%0.801SS**  trans65.3110.8142.350.30000124.8
1098E23.9Very low28.6Very low182 Ų182136.8 Ų136.885%0.8580%0.798SS**  46.1123122.1-60.3178.117200123.1
1099L30.2Very low28.5Very low171 Ų171136 Ų13690%0.89580%0.797SS**  -175.9-179.8114.1-101.3168.5000113.8
1100S27.4Very low28.4Very low118 Ų118135.8 Ų135.883%0.82580%0.796SS**  trans-79168.9-166.354.40000117.3
1101G27.3Very low27.6Very low79 Ų79140.8 Ų140.881%0.81480%0.798SS**  trans161.8139.5161.800000116.9
1102H30.4Very low27.4Very low182 Ų182140.7 Ų140.784%0.84379%0.793SS**  trans-84.5160.6179.9-93.3-80.3000114.9
1103N26.9Very low27.2Very low133 Ų133142.3 Ų142.371%0.71179%0.792SS**  trans73.882.1151.7-64.9-1.6000120.4N1105N1103-N1105 PolarHBondContact O-N 3.1Å
1104S29.9Very low27.2Very low118 Ų118145.1 Ų145.183%0.82579%0.788SS**  47.572.6118.2670000118.6
1105N25.5Very low26.9Very low150 Ų150141.2 Ų141.280%0.80279%0.785SS**  trans-149.5156144.8-151.7-16.4000109.7N1103N1103-N1105 PolarHBondContact O-N 3.1Å
1106L25.5Very low27.1Very low149 Ų149140.6 Ų140.678%0.7878%0.781SS**SBendtrans68.5146.5-173.2-58.9164000116.8
1107N24.2Very low27.4Very low147 Ų147137.4 Ų137.479%0.78678%0.782SS**  trans14.7136.9154.2-54-11.9000120.2
1108S23.4Very low27.2Very low98 Ų98140.4 Ų140.469%0.68579%0.791SS**  cis-170.2135.5-4.344.40000110.1S1110S1108-S1110 PolarHBondContact O-N 3.28Å; S1108-S1110 VanDerWaalsContact O-N 3.11Å
1109I25.2Very low27.5Very low163 Ų163140.7 Ų140.784%0.83679%0.792SS**  trans-83.388.1175.2-57.6178000109.9R1111I1109-R1111 HydrophobicContact CG2-CG 4.28Å; I1109-R1111 PolarHBondContact O-N 3.01Å
1110S25Very low27.6Very low102 Ų102142.3 Ų142.371%0.71380%0.795SS**  trans-80102.6160.650.20000109.1S1108S1108-S1110 PolarHBondContact O-N 3.28Å; S1108-S1110 VanDerWaalsContact O-N 3.11Å
1111R24.9Very low27.6Very low234 Ų234143.8 Ų143.888%0.88379%0.793SS**  trans-80.2128.4168.2-94.7-172.8172.9179.5-2.3110.2I1109I1109-R1111 HydrophobicContact CG2-CG 4.28Å; I1109-R1111 PolarHBondContact O-N 3.01Å
1112T25.6Very low27.7Very low108 Ų108146.3 Ų146.366%0.66379%0.787SS**  trans-80.5150.3175.8430000112.1
1113N29.3Very low27.7Very low158 Ų158144.9 Ų144.985%0.84579%0.786SS**  trans-152.8115.5144.2-87-15000102
1114I26.2Very low27.8Very low133 Ų133145.8 Ų145.868%0.68279%0.79SS**  cis60.4122.244.6-47.4177.8000110
1115G30.9Very low28.2Very low73 Ų73145.9 Ų145.975%0.75378%0.777SS**  trans149.173.9-157.600000108.6
1116D29.3Very low28.7Very low129 Ų129147.4 Ų147.469%0.6978%0.779SS**  trans-79.4150.2-164.5-43.1-87.6000112.8
1117N33.5Very low29.2Very low167 Ų167146.9 Ų146.989%0.89378%0.776SS**  -179.6132.3124.6-88.8-35.5000109.9
1118D27.5Very low30Very low155 Ų155147.4 Ų147.483%0.82977%0.767SS**  trans-83175.7173.4-67.2-67.7000111.9
1119Q28.7Very low30.8Very low187 Ų187149.9 Ų149.987%0.87477%0.768SS**  trans68.983.3163.6-55.6-177.67.600117.3
1120E33.7Very low31.4Very low206 Ų206147.7 Ų147.796%0.96376%0.758SS**  -141.594.6129.1-126.5171.6-151.900109.1
1121L27.7Very low32.3Very low149 Ų149149.2 Ų149.278%0.7875%0.754SS**  trans-102154.6168.5-105167.7000108.5
1122D29.6Very low33.4Very low131 Ų131142.9 Ų142.970%0.70174%0.737SS**  trans57.485.4165.4-54-27.9000117.2
1123N29.3Very low34.2Very low153 Ų153143.2 Ų143.282%0.81873%0.733SS**  trans-165.3147.7135.7-108.3-58.1000114.1
1124I29.2Very low35.1Very low152 Ų152138.8 Ų138.878%0.77972%0.715SS**  trans68.3130.7161.1-59.3158.8000116
1125E38.3Very low35.3Very low119 Ų119138.5 Ų138.556%0.55671%0.712SS**  cis-134.5134.7-0.7-150.2173.8166.700110.8L1127 R1128E1125-L1127 PolarHBondContact O-N 3.09Å; E1125-R1128 IonicContact OE1-CZ 3.56Å; E1125-R1128 VanDerWaalsContact OE1-CZ 3.29Å; E1125-R1128 IonicContact OE1-NH1 3.26Å; E1125-R1128 PolarHBondContact OE1-NH1 3.29Å; E1125-R1128 IonicContact OE1-NH2 2.6Å; E1125-R1128 PolarHBondContact OE1-NH2 3.23Å
1126E35.1Very low35.9Very low183 Ų183139.8 Ų139.886%0.85570%0.702SS**  trans-75.6115.4167.9-175.4166.9-149.500108.9R1128E1126-R1128 PolarHBondContact O-N 2.96Å
1127L37.7Very low36.8Very low137 Ų137136.8 Ų136.872%0.71769%0.691SS**  trans-70.2106.7-176.8-77.3170.7000110.4E1125E1125-L1127 PolarHBondContact O-N 3.09Å
1128R40Very low37.3Very low158 Ų158133.3 Ų133.360%0.59667%0.672SS**  trans-44.7136-174.6-62.8176-175.472.810113.1E1125 E1126 D1130 E1131E1125-R1128 IonicContact OE1-CZ 3.56Å; E1125-R1128 VanDerWaalsContact OE1-CZ 3.29Å; E1125-R1128 IonicContact OE1-NH1 3.26Å; E1125-R1128 PolarHBondContact OE1-NH1 3.29Å; E1125-R1128 IonicContact OE1-NH2 2.6Å; E1125-R1128 PolarHBondContact OE1-NH2 3.23Å; E1126-R1128 PolarHBondContact O-N 2.96Å; R1128-D1130 PolarHBondContact O-N 3.15Å; R1128-E1131 PolarHBondContact O-N 2.83Å; R1128-E1131 VanDerWaalsContact O-N 3.17Å
1129E40.1Very low38.6Very low151 Ų151132.7 Ų132.771%0.70666%0.664SS**THydrogen-bonded Turntrans-59.2-19.4-176.8-57-172.2122.900113.6E1131 I1132 I1133E1129-E1131 VanDerWaalsContact C-N 3.26Å; E1129-E1131 PolarHBondContact O-N 3.38Å; E1129-I1132 WeakPolarHBondContact O-CA 3.24Å; E1129-I1132 WeakPolarHBondContact O-CB 3.41Å; E1129-I1132 PolarHBondContact O-N 3.49Å; E1129-I1133 PolarHBondContact O-N 3.41Å
1130D38.1Very low40.2Very low116 Ų116130 Ų13062%0.6265%0.65SS**Hα-helixtrans-52.9-38173.6-58.8-55.9000113.3R1128 I1132 S1134R1128-D1130 PolarHBondContact O-N 3.15Å; D1130-I1132 VanDerWaalsContact C-N 3.33Å; D1130-S1134 VanDerWaalsContact O-CB 3.31Å; D1130-S1134 WeakPolarHBondContact O-CB 3.5Å; D1130-S1134 PolarHBondContact O-N 2.7Å
1131E44.1Very low41.3Very low134 Ų134125.8 Ų125.863%0.62663%0.63SS**Hα-helixtrans-69.1-32.5175.2-71.7-150.7140.800112R1128 E1129 S1134 M1135R1128-E1131 PolarHBondContact O-N 2.83Å; R1128-E1131 VanDerWaalsContact O-N 3.17Å; E1129-E1131 VanDerWaalsContact C-N 3.26Å; E1129-E1131 PolarHBondContact O-N 3.38Å; E1131-S1134 WeakPolarHBondContact O-CB 3.49Å; E1131-S1134 PolarHBondContact O-N 3.39Å; E1131-M1135 WeakPolarHBondContact O-CG 3.47Å; E1131-M1135 PolarHBondContact O-N 3.2Å
1132I47Very low42.8Very low102 Ų102121.5 Ų121.552%0.52362%0.616SS.*Hα-helixtrans-70-43.1177.7-54.2178.3000109.9E1129 D1130 S1134 M1135 N1136E1129-I1132 WeakPolarHBondContact O-CA 3.24Å; E1129-I1132 WeakPolarHBondContact O-CB 3.41Å; E1129-I1132 PolarHBondContact O-N 3.49Å; D1130-I1132 VanDerWaalsContact C-N 3.33Å; I1132-S1134 VanDerWaalsContact C-N 3.34Å; I1132-M1135 PolarHBondContact O-N 3.22Å; I1132-N1136 PolarHBondContact O-N 3.16Å
1133I42.8Very low44.3Very low114 Ų114121.2 Ų121.259%0.58561%0.61SS**Hα-helixtrans-63.4-41.8174.7-62.8170.1000110.4E1129 M1135 N1136 S1137E1129-I1133 PolarHBondContact O-N 3.41Å; I1133-M1135 PolarHBondContact O-N 2.82Å; I1133-N1136 PolarHBondContact O-N 3.26Å; I1133-S1137 PolarHBondContact O-N 2.84Å; I1133-S1137 VanDerWaalsContact O-N 3.12Å
1134S48.3Very low45.9Very low66 Ų66117.6 Ų117.646%0.46259%0.591SS.*Hα-helixtrans-59.5-42.1173.2-178.50000112.6D1130 E1131 I1132 S1137 N1138D1130-S1134 VanDerWaalsContact O-CB 3.31Å; D1130-S1134 WeakPolarHBondContact O-CB 3.5Å; D1130-S1134 PolarHBondContact O-N 2.7Å; E1131-S1134 WeakPolarHBondContact O-CB 3.49Å; E1131-S1134 PolarHBondContact O-N 3.39Å; I1132-S1134 VanDerWaalsContact C-N 3.34Å; S1134-S1137 WeakPolarHBondContact O-CB 3.42Å; S1134-S1137 PolarHBondContact O-N 3.3Å; S1134-S1137 PolarHBondContact O-OG 2.92Å; S1134-N1138 PolarHBondContact O-ND2 3.2Å
1135M31.2Very low47.6Very low126 Ų126114.7 Ų114.762%0.62158%0.576SS**Hα-helixtrans-66-39.1176.5-73.9-160.573.300112.8E1131 I1132 I1133 S1137 N1138 E1139E1131-M1135 WeakPolarHBondContact O-CG 3.47Å; E1131-M1135 PolarHBondContact O-N 3.2Å; I1132-M1135 PolarHBondContact O-N 3.22Å; I1133-M1135 PolarHBondContact O-N 2.82Å; M1135-S1137 VanDerWaalsContact C-N 3.28Å; M1135-S1137 PolarHBondContact O-N 3.14Å; M1135-N1138 WeakPolarHBondContact O-CB 3.5Å; M1135-N1138 PolarHBondContact O-N 2.81Å; M1135-N1138 VanDerWaalsContact O-N 3.11Å; M1135-E1139 PolarHBondContact O-N 3.27Å
1136N43.5Very low48.6Very low101 Ų101111.9 Ų111.954%0.5457%0.57SS.*Hα-helixtrans-64.4-31.7174.9-74.7-16.1000112.6I1132 I1133 N1138 E1139 K1140I1132-N1136 PolarHBondContact O-N 3.16Å; I1133-N1136 PolarHBondContact O-N 3.26Å; N1136-N1138 PolarHBondContact O-N 2.98Å; N1136-E1139 PolarHBondContact O-N 2.85Å; N1136-K1140 PolarHBondContact O-N 2.84Å
1137S47.2Very low49.1Very low66 Ų66106.9 Ų106.946%0.46255%0.549SS..Hα-helixtrans-60.5-30.9173.582.60000112.8I1133 S1134 M1135 Q1141I1133-S1137 PolarHBondContact O-N 2.84Å; I1133-S1137 VanDerWaalsContact O-N 3.12Å; S1134-S1137 WeakPolarHBondContact O-CB 3.42Å; S1134-S1137 PolarHBondContact O-N 3.3Å; S1134-S1137 PolarHBondContact O-OG 2.92Å; M1135-S1137 VanDerWaalsContact C-N 3.28Å; M1135-S1137 PolarHBondContact O-N 3.14Å; S1137-Q1141 WeakPolarHBondContact O-CB 3.25Å; S1137-Q1141 PolarHBondContact O-N 2.88Å
1138N43.9Very low49.7Very low94 Ų94103.7 Ų103.750%0.50354%0.538SS..Hα-helixtrans-78.4-32.8179.7-75.8-94.9000112.8S1134 M1135 N1136 A1142S1134-N1138 PolarHBondContact O-ND2 3.2Å; M1135-N1138 WeakPolarHBondContact O-CB 3.5Å; M1135-N1138 PolarHBondContact O-N 2.81Å; M1135-N1138 VanDerWaalsContact O-N 3.11Å; N1136-N1138 PolarHBondContact O-N 2.98Å; N1138-A1142 WeakPolarHBondContact O-CB 3.28Å; N1138-A1142 PolarHBondContact O-N 2.95Å
1139E55.8Low49.6Very low141 Ų141101.5 Ų101.566%0.65954%0.538SS*.Hα-helixtrans-75.1-41.9174.3-164.7142.3-12700110.2M1135 N1136 Q1141 A1142 E1143M1135-E1139 PolarHBondContact O-N 3.27Å; N1136-E1139 PolarHBondContact O-N 2.85Å; E1139-Q1141 PolarHBondContact O-N 3.27Å; E1139-A1142 WeakPolarHBondContact O-CB 3.08Å; E1139-A1142 PolarHBondContact O-N 2.95Å; E1139-A1142 VanDerWaalsContact O-N 3.09Å; E1139-E1143 PolarHBondContact O-N 3.32Å
1140K61.4Low49.7Very low132 Ų13299.9 Ų99.957%0.57453%0.533SS*.Hα-helixtrans-59.7-43.4169-175.7173.3179179.20112N1136 A1142 E1143 D1144N1136-K1140 PolarHBondContact O-N 2.84Å; K1140-A1142 VanDerWaalsContact C-N 3.27Å; K1140-A1142 PolarHBondContact O-N 3.02Å; K1140-E1143 CarbonylContact O-C 3.56Å; K1140-E1143 PolarHBondContact O-N 2.9Å; K1140-E1143 VanDerWaalsContact O-N 3.17Å; K1140-D1144 WeakPolarHBondContact O-CB 3.5Å; K1140-D1144 PolarHBondContact O-N 2.74Å
1141Q57.6Low49.9Very low117 Ų117100.9 Ų100.955%0.54754%0.537SS..Hα-helixtrans-66.2-28.6175.7-172.4176.989.500112.3S1137 E1139 I1145S1137-Q1141 WeakPolarHBondContact O-CB 3.25Å; S1137-Q1141 PolarHBondContact O-N 2.88Å; E1139-Q1141 PolarHBondContact O-N 3.27Å; Q1141-I1145 HydrophobicContact CG-CD1 4.02Å; Q1141-I1145 HydrophobicContact CG-CG1 4.46Å; Q1141-I1145 VanDerWaalsContact O-CB 3.25Å; Q1141-I1145 WeakPolarHBondContact O-CB 3.3Å; Q1141-I1145 WeakPolarHBondContact O-CD1 3.37Å; Q1141-I1145 WeakPolarHBondContact O-CG1 3.19Å; Q1141-I1145 PolarHBondContact O-N 2.95Å
1142A58Low49.4Very low59 Ų59105.2 Ų105.249%0.48855%0.548SS..Hα-helixtrans-71.4-3717200000112.3N1138 E1139 K1140 S1146N1138-A1142 WeakPolarHBondContact O-CB 3.28Å; N1138-A1142 PolarHBondContact O-N 2.95Å; E1139-A1142 WeakPolarHBondContact O-CB 3.08Å; E1139-A1142 PolarHBondContact O-N 2.95Å; E1139-A1142 VanDerWaalsContact O-N 3.09Å; K1140-A1142 VanDerWaalsContact C-N 3.27Å; K1140-A1142 PolarHBondContact O-N 3.02Å; A1142-S1146 WeakPolarHBondContact O-CB 3Å; A1142-S1146 PolarHBondContact O-N 3.45Å
1143E61.3Low48.6Very low125 Ų125103.3 Ų103.358%0.58455%0.547SS*.Hα-helixtrans-68.7-45.4170.3-68.9-166.5141.800111.7E1139 K1140 I1145 S1146 N1147E1139-E1143 PolarHBondContact O-N 3.32Å; K1140-E1143 CarbonylContact O-C 3.56Å; K1140-E1143 PolarHBondContact O-N 2.9Å; K1140-E1143 VanDerWaalsContact O-N 3.17Å; E1143-I1145 VanDerWaalsContact C-N 3.29Å; E1143-I1145 PolarHBondContact O-N 3.21Å; E1143-S1146 CarbonylContact O-C 3.3Å; E1143-S1146 WeakPolarHBondContact O-CA 3.42Å; E1143-S1146 WeakPolarHBondContact O-CB 3.45Å; E1143-S1146 PolarHBondContact O-N 2.93Å; E1143-N1147 VanDerWaalsContact O-CB 3.28Å; E1143-N1147 WeakPolarHBondContact O-CB 3.5Å; E1143-N1147 PolarHBondContact O-N 2.89Å; E1143-N1147 PolarHBondContact O-ND2 3.37Å
1144D63.5Low48Very low76 Ų76100.6 Ų100.641%0.40655%0.547SS..Hα-helixtrans-63.7-32.4176-71.8-26.1000111.8K1140 S1148K1140-D1144 WeakPolarHBondContact O-CB 3.5Å; K1140-D1144 PolarHBondContact O-N 2.74Å; D1144-S1148 WeakPolarHBondContact O-CA 3.36Å; D1144-S1148 WeakPolarHBondContact O-CB 3.43Å; D1144-S1148 PolarHBondContact O-N 3.19Å; D1144-S1148 PolarHBondContact O-OG 3.07Å
1145I65.4Low47.2Very low91 Ų91104 Ų10447%0.46756%0.56SS.*Hα-helixtrans-72-39.2169.2-73.5167.2000111.2Q1141 E1143 L1149Q1141-I1145 HydrophobicContact CG-CD1 4.02Å; Q1141-I1145 HydrophobicContact CG-CG1 4.46Å; Q1141-I1145 VanDerWaalsContact O-CB 3.25Å; Q1141-I1145 WeakPolarHBondContact O-CB 3.3Å; Q1141-I1145 WeakPolarHBondContact O-CD1 3.37Å; Q1141-I1145 WeakPolarHBondContact O-CG1 3.19Å; Q1141-I1145 PolarHBondContact O-N 2.95Å; E1143-I1145 VanDerWaalsContact C-N 3.29Å; E1143-I1145 PolarHBondContact O-N 3.21Å; I1145-L1149 HydrophobicContact CG2-CD1 3.91Å; I1145-L1149 HydrophobicContact CG2-CG 4.42Å; I1145-L1149 VanDerWaalsContact O-CB 3.27Å; I1145-L1149 WeakPolarHBondContact O-CB 3.48Å; I1145-L1149 WeakPolarHBondContact O-CG 3.49Å; I1145-L1149 PolarHBondContact O-N 3.29Å
1146S59.3Low47.2Very low61 Ų61103 Ų10343%0.42756%0.564SS.*Hα-helixtrans-64.2-44.7175.5-171.70000111.4A1142 E1143 L1149 L1150A1142-S1146 WeakPolarHBondContact O-CB 3Å; A1142-S1146 PolarHBondContact O-N 3.45Å; E1143-S1146 CarbonylContact O-C 3.3Å; E1143-S1146 WeakPolarHBondContact O-CA 3.42Å; E1143-S1146 WeakPolarHBondContact O-CB 3.45Å; E1143-S1146 PolarHBondContact O-N 2.93Å; S1146-L1149 CarbonylContact O-C 3.54Å; S1146-L1149 PolarHBondContact O-N 3.01Å; S1146-L1150 WeakPolarHBondContact O-CB 3.12Å; S1146-L1150 WeakPolarHBondContact O-CG 3.35Å; S1146-L1150 PolarHBondContact O-N 3.33Å
1147N44.3Very low46.9Very low77 Ų77105 Ų10541%0.41258%0.579SS.*Hα-helixtrans-69-41.6177.1-65.8-21.1000110.6E1143 L1149 L1150 I1151E1143-N1147 VanDerWaalsContact O-CB 3.28Å; E1143-N1147 WeakPolarHBondContact O-CB 3.5Å; E1143-N1147 PolarHBondContact O-N 2.89Å; E1143-N1147 PolarHBondContact O-ND2 3.37Å; N1147-L1149 VanDerWaalsContact C-N 3.29Å; N1147-L1149 PolarHBondContact O-N 3.29Å; N1147-L1150 CarbonylContact O-C 3.48Å; N1147-L1150 PolarHBondContact O-N 3.37Å; N1147-L1150 VanDerWaalsContact O-N 3.15Å; N1147-I1151 WeakPolarHBondContact O-CB 3.4Å; N1147-I1151 WeakPolarHBondContact O-CD1 3.36Å; N1147-I1151 VanDerWaalsContact O-CG1 3.22Å; N1147-I1151 WeakPolarHBondContact O-CG1 3.44Å; N1147-I1151 PolarHBondContact O-N 3.21Å
1148S50.3Low46.5Very low71 Ų71107.4 Ų107.450%0.49759%0.591SS.*Hα-helixtrans-64.2-32.9171.3-65.10000112.4D1144 R1152D1144-S1148 WeakPolarHBondContact O-CA 3.36Å; D1144-S1148 WeakPolarHBondContact O-CB 3.43Å; D1144-S1148 PolarHBondContact O-N 3.19Å; D1144-S1148 PolarHBondContact O-OG 3.07Å; S1148-R1152 WeakPolarHBondContact O-CB 3.17Å; S1148-R1152 PolarHBondContact O-N 3.22Å
1149L39.2Very low45.9Very low112 Ų112108 Ų10859%0.58659%0.59SS**Hα-helixtrans-73.6-30.5173-75.3169.1000112.2I1145 S1146 N1147 A1153I1145-L1149 HydrophobicContact CG2-CD1 3.91Å; I1145-L1149 HydrophobicContact CG2-CG 4.42Å; I1145-L1149 VanDerWaalsContact O-CB 3.27Å; I1145-L1149 WeakPolarHBondContact O-CB 3.48Å; I1145-L1149 WeakPolarHBondContact O-CG 3.49Å; I1145-L1149 PolarHBondContact O-N 3.29Å; S1146-L1149 CarbonylContact O-C 3.54Å; S1146-L1149 PolarHBondContact O-N 3.01Å; N1147-L1149 VanDerWaalsContact C-N 3.29Å; N1147-L1149 PolarHBondContact O-N 3.29Å; L1149-A1153 WeakPolarHBondContact O-CB 3.3Å; L1149-A1153 PolarHBondContact O-N 3.45Å
1150L41.4Very low45.3Very low116 Ų116104.5 Ų104.561%0.60758%0.58SS**Hα-helixtrans-74.5-35.9172-80.4158000112.8S1146 N1147 A1153S1146-L1150 WeakPolarHBondContact O-CB 3.12Å; S1146-L1150 WeakPolarHBondContact O-CG 3.35Å; S1146-L1150 PolarHBondContact O-N 3.33Å; N1147-L1150 CarbonylContact O-C 3.48Å; N1147-L1150 PolarHBondContact O-N 3.37Å; N1147-L1150 VanDerWaalsContact O-N 3.15Å; L1150-A1153 CarbonylContact O-C 3.54Å
1151I43.3Very low44.8Very low137 Ų137101.9 Ų101.970%0.70357%0.572SS**Hα-helixtrans-76.7-36.8176.2-67.3162.4000110.5N1147 G1154N1147-I1151 WeakPolarHBondContact O-CB 3.4Å; N1147-I1151 WeakPolarHBondContact O-CD1 3.36Å; N1147-I1151 VanDerWaalsContact O-CG1 3.22Å; N1147-I1151 WeakPolarHBondContact O-CG1 3.44Å; N1147-I1151 PolarHBondContact O-N 3.21Å; I1151-G1154 PolarHBondContact O-N 3.48Å
1152R32.8Very low44.4Very low225 Ų22598 Ų9885%0.84956%0.557SS**Hα-helixtrans-78.2-26175.9-166.3175.6-162.1146.96.6112.8S1148 G1154S1148-R1152 WeakPolarHBondContact O-CB 3.17Å; S1148-R1152 PolarHBondContact O-N 3.22Å; R1152-G1154 PolarHBondContact O-N 2.99Å
1153A30.5Very low44.3Very low62 Ų6299.3 Ų99.351%0.51255%0.553SS.*SBendtrans-8360.7157.600000109L1149 L1150 D1155L1149-A1153 WeakPolarHBondContact O-CB 3.3Å; L1149-A1153 PolarHBondContact O-N 3.45Å; L1150-A1153 CarbonylContact O-C 3.54Å; A1153-D1155 PolarHBondContact O-N 3.09Å
1154G31.1Very low43.9Very low57 Ų57102.6 Ų102.659%0.58856%0.56SS**  trans-6679.3179.700000111.6I1151 R1152 P1156I1151-G1154 PolarHBondContact O-N 3.48Å; R1152-G1154 PolarHBondContact O-N 2.99Å; G1154-P1156 VanDerWaalsContact O-CD 3.26Å; G1154-P1156 WeakPolarHBondContact O-CD 3.18Å
1155D29.7Very low43.5Very low138 Ų13899.3 Ų99.374%0.73854%0.542SS*.  trans-60112.3155.1-81.5-28.5000106A1153A1153-D1155 PolarHBondContact O-N 3.09Å
1156P32.2Very low43.5Very low106 Ų10696.1 Ų96.169%0.68853%0.525SS*.  trans-59.7155.6169.428.8-34.7000108.5G1154 V1158G1154-P1156 VanDerWaalsContact O-CD 3.26Å; G1154-P1156 WeakPolarHBondContact O-CD 3.18Å; P1156-V1158 WeakPolarHBondContact O-CA 3.13Å; P1156-V1158 WeakPolarHBondContact O-CG2 3.21Å; P1156-V1158 PolarHBondContact O-N 3.04Å
1157V36.1Very low43.5Very low142 Ų14297.6 Ų97.686%0.86153%0.528SS*.  trans-40.5109.9176176.50000108.8E1159V1157-E1159 VanDerWaalsContact C-N 3.31Å; V1157-E1159 PolarHBondContact O-N 2.89Å
1158V39.8Very low43.8Very low117 Ų11794.9 Ų94.971%0.70952%0.516SS*.  trans-72.392.8-166.91790000108.1P1156P1156-V1158 WeakPolarHBondContact O-CA 3.13Å; P1156-V1158 WeakPolarHBondContact O-CG2 3.21Å; P1156-V1158 PolarHBondContact O-N 3.04Å
1159E31.1Very low43.8Very low105 Ų10592.3 Ų92.349%0.49150%0.499SS..  trans-47.2128.1174.4-71.5-170.8157.100108.4V1157 N1161 H1326V1157-E1159 VanDerWaalsContact C-N 3.31Å; V1157-E1159 PolarHBondContact O-N 2.89Å; E1159-N1161 VanDerWaalsContact C-N 3.35Å; E1159-N1161 PolarHBondContact O-N 2.91Å; E1159-H1326 IonicContact OE1-CE1 3.07Å; E1159-H1326 PolarHBondContact OE1-CE1 3.5Å; E1159-H1326 IonicContact OE1-ND1 2.65Å; E1159-H1326 PolarHBondContact OE1-ND1 3.17Å
1160P44.3Very low44.3Very low68 Ų6889.8 Ų89.844%0.44249%0.486SS..  trans-65.695.2-171.625.2-34.2000109.7P1162 L1165P1160-P1162 VanDerWaalsContact O-N 3.15Å; P1160-L1165 HydrophobicContact CB-CD1 4.11Å; P1160-L1165 HydrophobicContact CB-CD2 4.33Å; P1160-L1165 HydrophobicContact CB-CG 4.15Å; P1160-L1165 HydrophobicContact CG-CD1 4.02Å; P1160-L1165 VanDerWaalsContact O-CD1 3.23Å; P1160-L1165 WeakPolarHBondContact O-CD1 3.17Å; P1160-L1165 WeakPolarHBondContact O-CG 3.26Å
1161N49.1Very low44.9Very low78 Ų7889 Ų8942%0.41748%0.482SS..  trans-37.2119.2-170.9175.3-43.1000111.4E1159 E1163 R1164 L1165E1159-N1161 VanDerWaalsContact C-N 3.35Å; E1159-N1161 PolarHBondContact O-N 2.91Å; N1161-E1163 PolarHBondContact O-N 3.46Å; N1161-E1163 VanDerWaalsContact O-N 3.14Å; N1161-E1163 WeakPolarHBondContact OD1-CB 3.42Å; N1161-E1163 PolarHBondContact OD1-N 2.88Å; N1161-R1164 HydrophobicContact CB-CB 4.45Å; N1161-R1164 HydrophobicContact CB-CG 4.26Å; N1161-R1164 WeakPolarHBondContact O-CA 3.29Å; N1161-R1164 WeakPolarHBondContact O-CB 3.46Å; N1161-R1164 PolarHBondContact O-N 3.23Å; N1161-L1165 PolarHBondContact O-N 3.41Å
1162P51Low44.9Very low36 Ų3682.9 Ų82.923%0.23445%0.452CS..Hα-helixtrans-65.6-23.7-168.322.5-33.6000113.5P1160 R1164 L1165 Y1166 W1322 F1333P1160-P1162 VanDerWaalsContact O-N 3.15Å; P1162-R1164 VanDerWaalsContact C-N 3.31Å; P1162-R1164 PolarHBondContact O-N 3.31Å; P1162-L1165 PolarHBondContact O-N 3.49Å; P1162-Y1166 WeakPolarHBondContact O-CB 3.4Å; P1162-Y1166 PolarHBondContact O-N 2.89Å; P1162-W1322 HydrophobicContact CB-CE3 4.3Å; P1162-W1322 HydrophobicContact CB-CH2 3.51Å; P1162-W1322 HydrophobicContact CB-CZ2 4.14Å; P1162-W1322 HydrophobicContact CB-CZ3 3.57Å; P1162-W1322 HydrophobicContact CG-CH2 3.67Å; P1162-W1322 HydrophobicContact CG-CZ2 4.13Å; P1162-W1322 HydrophobicContact CG-CZ3 4.25Å; P1162-F1333 HydrophobicContact CB-CD2 3.98Å; P1162-F1333 HydrophobicContact CB-CE2 4.22Å; P1162-F1333 HydrophobicContact CB-CG 4.23Å; P1162-F1333 HydrophobicContact CG-CD2 4.2Å
1163E54Low45.4Very low85 Ų8574.9 Ų74.940%0.39743%0.428SS..Hα-helixtrans-68.6-30.7170.3-63.6-176.6-179.500111.8N1161 N1167 F1333 K1336N1161-E1163 PolarHBondContact O-N 3.46Å; N1161-E1163 VanDerWaalsContact O-N 3.14Å; N1161-E1163 WeakPolarHBondContact OD1-CB 3.42Å; N1161-E1163 PolarHBondContact OD1-N 2.88Å; E1163-N1167 VanDerWaalsContact O-CB 3.29Å; E1163-N1167 WeakPolarHBondContact O-CB 2.96Å; E1163-N1167 PolarHBondContact O-N 3.37Å; E1163-N1167 PolarHBondContact O-ND2 2.95Å; E1163-F1333 HydrophobicContact CG-CE2 4.11Å; E1163-K1336 IonicContact OE1-NZ 2.66Å; E1163-K1336 PolarHBondContact OE1-NZ 3.42Å
1164R54.9Low46.1Very low194 Ų19474.4 Ų74.473%0.73242%0.424SS*.Hα-helixtrans-74.4-43172-66.8-173.3176.1-178.51.3111.9N1161 P1162 Y1166 N1167 A1168N1161-R1164 HydrophobicContact CB-CB 4.45Å; N1161-R1164 HydrophobicContact CB-CG 4.26Å; N1161-R1164 WeakPolarHBondContact O-CA 3.29Å; N1161-R1164 WeakPolarHBondContact O-CB 3.46Å; N1161-R1164 PolarHBondContact O-N 3.23Å; P1162-R1164 VanDerWaalsContact C-N 3.31Å; P1162-R1164 PolarHBondContact O-N 3.31Å; R1164-Y1166 VanDerWaalsContact C-N 3.34Å; R1164-N1167 PolarHBondContact O-N 3.36Å; R1164-A1168 WeakPolarHBondContact O-CB 3.22Å; R1164-A1168 PolarHBondContact O-N 3.19Å
1165L54.8Low46.6Very low7 Ų775.8 Ų75.84%0.03742%0.418CS..Hα-helixtrans-57.3-48.1172.5-76.4174.4000110.9P1160 N1161 P1162 A1168 A1169 L1307 L1319 W1322P1160-L1165 HydrophobicContact CB-CD1 4.11Å; P1160-L1165 HydrophobicContact CB-CD2 4.33Å; P1160-L1165 HydrophobicContact CB-CG 4.15Å; P1160-L1165 HydrophobicContact CG-CD1 4.02Å; P1160-L1165 VanDerWaalsContact O-CD1 3.23Å; P1160-L1165 WeakPolarHBondContact O-CD1 3.17Å; P1160-L1165 WeakPolarHBondContact O-CG 3.26Å; N1161-L1165 PolarHBondContact O-N 3.41Å; P1162-L1165 PolarHBondContact O-N 3.49Å; L1165-A1168 WeakPolarHBondContact O-CB 3.38Å; L1165-A1168 PolarHBondContact O-N 3.44Å; L1165-A1169 WeakPolarHBondContact O-CB 3.46Å; L1165-A1169 PolarHBondContact O-N 3.44Å; L1165-L1307 HydrophobicContact CD2-CD1 3.85Å; L1165-L1307 HydrophobicContact CD2-CD2 3.75Å; L1165-L1307 HydrophobicContact CD2-CG 4.46Å; L1165-L1319 HydrophobicContact CB-CD1 4.01Å; L1165-L1319 HydrophobicContact CB-CG 4.43Å; L1165-W1322 HydrophobicContact CD1-CB 4.42Å; L1165-W1322 HydrophobicContact CD1-CD2 4.25Å; L1165-W1322 HydrophobicContact CD1-CG 4.12Å
1166Y64.3Low47.2Very low25 Ų2571 Ų7110%0.09840%0.395CS..Hα-helixtrans-67.1-39.1178.6178.7-107.4000113.3P1162 R1164 A1168 A1169 L1170 F1333 L1337 V1346 I1350P1162-Y1166 WeakPolarHBondContact O-CB 3.4Å; P1162-Y1166 PolarHBondContact O-N 2.89Å; R1164-Y1166 VanDerWaalsContact C-N 3.34Å; Y1166-A1168 VanDerWaalsContact C-N 3.33Å; Y1166-A1169 PolarHBondContact O-N 2.68Å; Y1166-L1170 HydrophobicContact CD1-CD1 3.91Å; Y1166-L1170 HydrophobicContact CD1-CG 4.31Å; Y1166-L1170 HydrophobicContact CE1-CD1 3.44Å; Y1166-L1170 VanDerWaalsContact CE1-CD1 3.44Å; Y1166-L1170 HydrophobicContact CE1-CG 3.96Å; Y1166-L1170 HydrophobicContact CE2-CD2 4.44Å; Y1166-L1170 HydrophobicContact CE2-CG 4.24Å; Y1166-L1170 WeakPolarHBondContact O-CB 3.3Å; Y1166-L1170 WeakPolarHBondContact O-CG 3.33Å; Y1166-L1170 PolarHBondContact O-N 3.46Å; Y1166-F1333 HydrophobicContact CD1-CZ 4.15Å; Y1166-F1333 HydrophobicContact CD2-CE1 4.35Å; Y1166-F1333 HydrophobicContact CD2-CZ 4.16Å; Y1166-F1333 HydrophobicContact CG-CE1 4.32Å; Y1166-F1333 AromaticContact CG-CZ 3.7Å; Y1166-F1333 HydrophobicContact CG-CZ 3.7Å; Y1166-L1337 HydrophobicContact CD1-CD2 4.38Å; Y1166-L1337 HydrophobicContact CD2-CD1 4.36Å; Y1166-L1337 HydrophobicContact CE1-CD2 3.87Å; Y1166-L1337 HydrophobicContact CE2-CD1 4.06Å; Y1166-V1346 HydrophobicContact CE2-CG1 3.82Å; Y1166-I1350 HydrophobicContact CE2-CD1 4.36Å
1167N60.2Low47.6Very low91 Ų9170.2 Ų70.249%0.48739%0.388SS..Hα-helixtrans-67.4-33.6173.2-84.2-75.7000112.3E1163 R1164 L1171E1163-N1167 VanDerWaalsContact O-CB 3.29Å; E1163-N1167 WeakPolarHBondContact O-CB 2.96Å; E1163-N1167 PolarHBondContact O-N 3.37Å; E1163-N1167 PolarHBondContact O-ND2 2.95Å; R1164-N1167 PolarHBondContact O-N 3.36Å; N1167-L1171 WeakPolarHBondContact O-CB 3.29Å; N1167-L1171 PolarHBondContact O-N 2.91Å
1168A50.8Low47.7Very low21 Ų2172.2 Ų72.217%0.17438%0.381CS..Hα-helixtrans-65.2-48.7170.800000110.7R1164 L1165 Y1166 L1170 L1171 A1172 L1307R1164-A1168 WeakPolarHBondContact O-CB 3.22Å; R1164-A1168 PolarHBondContact O-N 3.19Å; L1165-A1168 WeakPolarHBondContact O-CB 3.38Å; L1165-A1168 PolarHBondContact O-N 3.44Å; Y1166-A1168 VanDerWaalsContact C-N 3.33Å; A1168-L1170 PolarHBondContact O-N 3.45Å; A1168-L1171 CarbonylContact O-C 3.24Å; A1168-L1171 WeakPolarHBondContact O-CA 3.49Å; A1168-L1171 WeakPolarHBondContact O-CB 3.36Å; A1168-L1171 PolarHBondContact O-N 3.17Å; A1168-L1171 VanDerWaalsContact O-N 3.12Å; A1168-A1172 WeakPolarHBondContact O-CB 3.12Å; A1168-A1172 PolarHBondContact O-N 3.36Å; A1168-L1307 HydrophobicContact CB-CB 4.46Å; A1168-L1307 HydrophobicContact CB-CD1 4.07Å
1169A50.5Low47.7Very low17 Ų1769 Ų6914%0.1436%0.363CS..Hα-helixtrans-63.1-37.217700000113.2L1165 Y1166 A1172 V1173 L1319L1165-A1169 WeakPolarHBondContact O-CB 3.46Å; L1165-A1169 PolarHBondContact O-N 3.44Å; Y1166-A1169 PolarHBondContact O-N 2.68Å; A1169-A1172 CarbonylContact O-C 3.55Å; A1169-A1172 WeakPolarHBondContact O-CB 3.39Å; A1169-A1172 PolarHBondContact O-N 3.4Å; A1169-A1172 VanDerWaalsContact O-N 3.16Å; A1169-V1173 WeakPolarHBondContact O-CG2 3.49Å; A1169-V1173 PolarHBondContact O-N 3.24Å; A1169-L1319 HydrophobicContact CB-CD1 3.58Å
1170L49Very low48Very low58 Ų5865.6 Ų65.630%0.30436%0.356SS..Hα-helixtrans-61.6-44.9170.4-81.9179.3000111.7Y1166 A1168 A1172 V1173 A1174 V1346Y1166-L1170 HydrophobicContact CD1-CD1 3.91Å; Y1166-L1170 HydrophobicContact CD1-CG 4.31Å; Y1166-L1170 HydrophobicContact CE1-CD1 3.44Å; Y1166-L1170 VanDerWaalsContact CE1-CD1 3.44Å; Y1166-L1170 HydrophobicContact CE1-CG 3.96Å; Y1166-L1170 HydrophobicContact CE2-CD2 4.44Å; Y1166-L1170 HydrophobicContact CE2-CG 4.24Å; Y1166-L1170 WeakPolarHBondContact O-CB 3.3Å; Y1166-L1170 WeakPolarHBondContact O-CG 3.33Å; Y1166-L1170 PolarHBondContact O-N 3.46Å; A1168-L1170 PolarHBondContact O-N 3.45Å; L1170-A1172 VanDerWaalsContact C-N 3.26Å; L1170-A1172 PolarHBondContact O-N 3.01Å; L1170-V1173 PolarHBondContact O-N 3.29Å; L1170-A1174 WeakPolarHBondContact O-CB 3.31Å; L1170-A1174 PolarHBondContact O-N 2.99Å; L1170-V1346 HydrophobicContact CD2-CB 4.47Å; L1170-V1346 HydrophobicContact CD2-CG1 3.83Å; L1170-V1346 HydrophobicContact CD2-CG2 3.91Å
1171L52.8Low47.4Very low101 Ų10168.3 Ų68.353%0.52937%0.366SS..Hα-helixtrans-64.2-33172.8-85.1162.5000111.7N1167 A1168 N1175N1167-L1171 WeakPolarHBondContact O-CB 3.29Å; N1167-L1171 PolarHBondContact O-N 2.91Å; A1168-L1171 CarbonylContact O-C 3.24Å; A1168-L1171 WeakPolarHBondContact O-CA 3.49Å; A1168-L1171 WeakPolarHBondContact O-CB 3.36Å; A1168-L1171 PolarHBondContact O-N 3.17Å; A1168-L1171 VanDerWaalsContact O-N 3.12Å; L1171-N1175 VanDerWaalsContact O-CB 3.22Å; L1171-N1175 WeakPolarHBondContact O-CB 3.41Å; L1171-N1175 PolarHBondContact O-N 3.14Å; L1171-N1175 PolarHBondContact O-ND2 2.96Å; L1171-N1175 VanDerWaalsContact O-ND2 3.09Å
1172A44.5Very low46.8Very low7 Ų768.1 Ų68.16%0.05837%0.368CS..Hα-helixtrans-72.1-43.7177.600000111.2A1168 A1169 L1170 N1175 S1176 F1312A1168-A1172 WeakPolarHBondContact O-CB 3.12Å; A1168-A1172 PolarHBondContact O-N 3.36Å; A1169-A1172 CarbonylContact O-C 3.55Å; A1169-A1172 WeakPolarHBondContact O-CB 3.39Å; A1169-A1172 PolarHBondContact O-N 3.4Å; A1169-A1172 VanDerWaalsContact O-N 3.16Å; L1170-A1172 VanDerWaalsContact C-N 3.26Å; L1170-A1172 PolarHBondContact O-N 3.01Å; A1172-N1175 CarbonylContact O-C 3.12Å; A1172-N1175 PolarHBondContact O-N 3.27Å; A1172-S1176 WeakPolarHBondContact O-CB 3.48Å; A1172-S1176 PolarHBondContact O-N 2.72Å; A1172-S1176 PolarHBondContact O-OG 3.44Å; A1172-S1176 VanDerWaalsContact O-OG 3.09Å; A1172-F1312 HydrophobicContact CB-CD2 3.71Å; A1172-F1312 HydrophobicContact CB-CE2 4.18Å
1173V43.5Very low46Very low58 Ų5870.6 Ų70.635%0.35238%0.379SS..Hα-helixtrans-63.6-41.8171.3173.10000110.8A1169 L1170 N1175 S1176 T1177 F1312A1169-V1173 WeakPolarHBondContact O-CG2 3.49Å; A1169-V1173 PolarHBondContact O-N 3.24Å; L1170-V1173 PolarHBondContact O-N 3.29Å; V1173-N1175 VanDerWaalsContact C-N 3.28Å; V1173-N1175 PolarHBondContact O-N 3.32Å; V1173-S1176 PolarHBondContact O-N 2.96Å; V1173-T1177 HydrophobicContact CG1-CG2 4.44Å; V1173-T1177 WeakPolarHBondContact O-CB 3.38Å; V1173-T1177 WeakPolarHBondContact O-CG2 3.43Å; V1173-T1177 PolarHBondContact O-N 2.64Å; V1173-T1177 PolarHBondContact O-OG1 2.97Å; V1173-F1312 HydrophobicContact CB-CE2 4.46Å; V1173-F1312 HydrophobicContact CG2-CE2 3.73Å; V1173-F1312 HydrophobicContact CG2-CZ 4.09Å
1174A44Very low44.7Very low51 Ų5176.6 Ų76.642%0.42140%0.399SS..Hα-helixtrans-66-29174.500000113.1L1170 T1177 R1178L1170-A1174 WeakPolarHBondContact O-CB 3.31Å; L1170-A1174 PolarHBondContact O-N 2.99Å; A1174-T1177 WeakPolarHBondContact CA-OG1 3.44Å; A1174-T1177 PolarHBondContact O-OG1 3.05Å; A1174-R1178 VanDerWaalsContact O-CB 3.23Å; A1174-R1178 WeakPolarHBondContact O-CB 3.36Å; A1174-R1178 PolarHBondContact O-N 2.92Å
1175N41.6Very low43.6Very low87 Ų8774.1 Ų74.147%0.46540%0.4SS..Hα-helixtrans-82-35.6173.1-74.9-30000112L1171 A1172 V1173 R1178 S1179L1171-N1175 VanDerWaalsContact O-CB 3.22Å; L1171-N1175 WeakPolarHBondContact O-CB 3.41Å; L1171-N1175 PolarHBondContact O-N 3.14Å; L1171-N1175 PolarHBondContact O-ND2 2.96Å; L1171-N1175 VanDerWaalsContact O-ND2 3.09Å; A1172-N1175 CarbonylContact O-C 3.12Å; A1172-N1175 PolarHBondContact O-N 3.27Å; V1173-N1175 VanDerWaalsContact C-N 3.28Å; V1173-N1175 PolarHBondContact O-N 3.32Å; N1175-R1178 CarbonylContact O-C 3.58Å; N1175-R1178 WeakPolarHBondContact O-CB 3.15Å; N1175-R1178 PolarHBondContact O-N 2.77Å; N1175-S1179 WeakPolarHBondContact O-CB 3.4Å; N1175-S1179 PolarHBondContact O-N 2.74Å; N1175-S1179 PolarHBondContact O-OG 2.84Å
1176S42Very low42.5Very low37 Ų3780 Ų8026%0.25943%0.431SS..Hα-helixtrans-72.9-35.9177.3-68.70000112.8A1172 V1173 R1178 S1179 G1180 F1312A1172-S1176 WeakPolarHBondContact O-CB 3.48Å; A1172-S1176 PolarHBondContact O-N 2.72Å; A1172-S1176 PolarHBondContact O-OG 3.44Å; A1172-S1176 VanDerWaalsContact O-OG 3.09Å; V1173-S1176 PolarHBondContact O-N 2.96Å; S1176-R1178 VanDerWaalsContact C-N 3.25Å; S1176-R1178 PolarHBondContact O-N 3.07Å; S1176-S1179 WeakPolarHBondContact CA-OG 3.46Å; S1176-S1179 PolarHBondContact O-OG 2.96Å; S1176-G1180 WeakPolarHBondContact O-CA 3.4Å; S1176-G1180 PolarHBondContact O-N 3.03Å; S1176-F1312 WeakPolarHBondContact OG-CB 3.5Å; S1176-F1312 WeakPolarHBondContact OG-CD2 3.43Å; S1176-F1312 WeakPolarHBondContact OG-CG 3.36Å
1177T41.8Very low40.6Very low90 Ų9084.8 Ų84.855%0.55246%0.459SS*.Hα-helixtrans-66.7-31168.247.20000111.4V1173 A1174 L1181V1173-T1177 HydrophobicContact CG1-CG2 4.44Å; V1173-T1177 WeakPolarHBondContact O-CB 3.38Å; V1173-T1177 WeakPolarHBondContact O-CG2 3.43Å; V1173-T1177 PolarHBondContact O-N 2.64Å; V1173-T1177 PolarHBondContact O-OG1 2.97Å; A1174-T1177 WeakPolarHBondContact CA-OG1 3.44Å; A1174-T1177 PolarHBondContact O-OG1 3.05Å; T1177-L1181 PolarHBondContact O-N 3.36Å
1178R37.4Very low38.9Very low184 Ų18486.7 Ų86.769%0.69447%0.474SS*.Hα-helixtrans-79.9-32.8176.2-173.3176.5-178.1-173.6-1113.6A1174 N1175 S1176 L1181 T1182A1174-R1178 VanDerWaalsContact O-CB 3.23Å; A1174-R1178 WeakPolarHBondContact O-CB 3.36Å; A1174-R1178 PolarHBondContact O-N 2.92Å; N1175-R1178 CarbonylContact O-C 3.58Å; N1175-R1178 WeakPolarHBondContact O-CB 3.15Å; N1175-R1178 PolarHBondContact O-N 2.77Å; S1176-R1178 VanDerWaalsContact C-N 3.25Å; S1176-R1178 PolarHBondContact O-N 3.07Å; R1178-L1181 WeakPolarHBondContact O-CB 3.27Å; R1178-T1182 PolarHBondContact O-N 2.67Å
1179S39.5Very low37.7Very low50 Ų5090.7 Ų90.735%0.3550%0.501SS..Hα-helixtrans-85.6-31.9177.766.20000112.2N1175 S1176 L1181 T1182 N1183N1175-S1179 WeakPolarHBondContact O-CB 3.4Å; N1175-S1179 PolarHBondContact O-N 2.74Å; N1175-S1179 PolarHBondContact O-OG 2.84Å; S1176-S1179 WeakPolarHBondContact CA-OG 3.46Å; S1176-S1179 PolarHBondContact O-OG 2.96Å; S1179-L1181 PolarHBondContact O-N 3.29Å; S1179-T1182 VanDerWaalsContact CA-OG1 3.3Å; S1179-T1182 WeakPolarHBondContact CA-OG1 3.25Å; S1179-T1182 PolarHBondContact O-N 2.96Å; S1179-T1182 PolarHBondContact O-OG1 3.22Å; S1179-N1183 PolarHBondContact O-N 3.49Å; S1179-N1183 PolarHBondContact O-OD1 3.37Å; S1179-N1183 VanDerWaalsContact O-OD1 3.07Å
1180G38.3Very low36.5Very low32 Ų3294.9 Ų94.933%0.3353%0.529SS..Hα-helixtrans-53.2-41.4161.900000110.8S1176 T1182 N1183 Y1184S1176-G1180 WeakPolarHBondContact O-CA 3.4Å; S1176-G1180 PolarHBondContact O-N 3.03Å; G1180-T1182 VanDerWaalsContact C-N 3.34Å; G1180-T1182 PolarHBondContact O-N 3.13Å; G1180-N1183 PolarHBondContact O-N 2.97Å; G1180-Y1184 WeakPolarHBondContact O-CB 3.18Å; G1180-Y1184 PolarHBondContact O-N 3.49Å
1181L32.1Very low35.4Very low125 Ų12598.5 Ų98.565%0.65455%0.554SS**Hα-helixtrans-68.7-20.9172.7-120.778.7000115.2T1177 R1178 S1179 L1185T1177-L1181 PolarHBondContact O-N 3.36Å; R1178-L1181 WeakPolarHBondContact O-CB 3.27Å; S1179-L1181 PolarHBondContact O-N 3.29Å; L1181-L1185 WeakPolarHBondContact O-CD1 3.35Å
1182T35.7Very low33.9Very low75 Ų75100 Ų10046%0.4657%0.571SS.*Hα-helixtrans-89.3-31.1173.655.30000112.8R1178 S1179 G1180 L1185 N1186R1178-T1182 PolarHBondContact O-N 2.67Å; S1179-T1182 VanDerWaalsContact CA-OG1 3.3Å; S1179-T1182 WeakPolarHBondContact CA-OG1 3.25Å; S1179-T1182 PolarHBondContact O-N 2.96Å; S1179-T1182 PolarHBondContact O-OG1 3.22Å; G1180-T1182 VanDerWaalsContact C-N 3.34Å; G1180-T1182 PolarHBondContact O-N 3.13Å; T1182-L1185 PolarHBondContact O-N 3.44Å; T1182-N1186 PolarHBondContact O-N 2.96Å
1183N34.7Very low33Very low87 Ų87106.4 Ų106.447%0.46560%0.603SS.*Hα-helixtrans-75.6-43.6179.5-66.222000110.2S1179 G1180 L1185 N1186 D1187S1179-N1183 PolarHBondContact O-N 3.49Å; S1179-N1183 PolarHBondContact O-OD1 3.37Å; S1179-N1183 VanDerWaalsContact O-OD1 3.07Å; G1180-N1183 PolarHBondContact O-N 2.97Å; N1183-L1185 PolarHBondContact O-N 3.21Å; N1183-N1186 PolarHBondContact O-N 2.9Å; N1183-D1187 PolarHBondContact O-N 2.93Å
1184Y27.2Very low32.1Very low211 Ų211110.6 Ų110.683%0.82762%0.623SS**THydrogen-bonded Turntrans-60.8-4.3171-102.9-79000115.6G1180G1180-Y1184 WeakPolarHBondContact O-CB 3.18Å; G1180-Y1184 PolarHBondContact O-N 3.49Å
1185L30.2Very low31.3Very low142 Ų142115.6 Ų115.674%0.74364%0.643SS**THydrogen-bonded Turntrans-113.2-0173.8-70.1177.8000114L1181 T1182 N1183L1181-L1185 WeakPolarHBondContact O-CD1 3.35Å; T1182-L1185 PolarHBondContact O-N 3.44Å; N1183-L1185 PolarHBondContact O-N 3.21Å
1186N33.4Very low30.5Very low130 Ų130118.2 Ų118.270%0.69566%0.656SS**THydrogen-bonded Turntrans-121.6-19.5176.7-79.9-9.1000113.8T1182 N1183 T1188T1182-N1186 PolarHBondContact O-N 2.96Å; N1183-N1186 PolarHBondContact O-N 2.9Å; N1186-T1188 PolarHBondContact O-N 3.17Å
1187D23Very low29.7Very low126 Ų126121.3 Ų121.367%0.67468%0.675SS**  trans-77.351.2-176.4-67.6-33.9000113.9N1183N1183-D1187 PolarHBondContact O-N 2.93Å
1188T24.8Very low29.1Very low131 Ų131126.9 Ų126.980%0.80469%0.694SS**  trans-141.852.4170.664.50000114.7N1186N1186-T1188 PolarHBondContact O-N 3.17Å
1189S25.7Very low28.7Very low105 Ų105122.4 Ų122.473%0.73469%0.692SS**SBendtrans-17113414657.20000115.1
1190S25.9Very low28Very low106 Ų106128 Ų12874%0.74171%0.714SS**  trans53.6101.5149610000119.7
1191T25.5Very low27.3Very low133 Ų133132.8 Ų132.882%0.81673%0.731SS**SBendtrans-25.2148.3132.346.70000116.1I1193T1191-I1193 PolarHBondContact O-N 3.26Å
1192C22.5Very low26.9Very low133 Ų133132.4 Ų132.490%0.89974%0.737SS**  trans-30.8112.9174.8-50.60000117.1
1193I24.6Very low26.4Very low141 Ų141134.6 Ų134.672%0.72375%0.75SS**  trans-137.5113.9149.1-64.9-174.6000107.8T1191T1191-I1193 PolarHBondContact O-N 3.26Å
1194N25.6Very low25.9Very low146 Ų146136.6 Ų136.678%0.78177%0.765SS**  trans-85.5168.9154.6-76.1-27.6000108.6
1195D25.3Very low25.6Very low156 Ų156137.4 Ų137.483%0.83477%0.767SS**  trans74.569.7173.3-51.6-31.2000117.1
1196I24.8Very low25.3Very low143 Ų143137.7 Ų137.773%0.73377%0.774SS**  trans-126.4121.2146.6-58.8-179000108.6
1197P25.9Very low24.9Very low101 Ų101142.7 Ų142.766%0.65678%0.783SS**  trans-74.7157.6-178.629.8-34.9000113.2S1199P1197-S1199 PolarHBondContact O-N 3.01Å
1198Q29.8Very low24.9Very low207 Ų207145.2 Ų145.297%0.96780%0.795SS**THydrogen-bonded Turntrans-75.140.4-170.6-63.2-173.1-16.200115.7
1199S27.7Very low24.9Very low91 Ų91142.4 Ų142.464%0.63679%0.793SS**THydrogen-bonded Turntrans-103.2-14.5177.554.10000114.5P1197 L1201P1197-S1199 PolarHBondContact O-N 3.01Å; S1199-L1201 PolarHBondContact O-N 3.06Å
1200M25.1Very low24.9Very low167 Ų167148.5 Ų148.582%0.82380%0.8SS**SBendtrans-94.691.4176.8-74.9-66.1162.400112.2
1201L25Very low24.9Very low132 Ų132149.9 Ų149.969%0.69180%0.804SS**  trans-67.7148.8172.7-68.8165.4000111S1199 T1203S1199-L1201 PolarHBondContact O-N 3.06Å; L1201-T1203 WeakPolarHBondContact CD2-OG1 3.42Å
1202P23.3Very low24.9Very low118 Ų118147 Ų14777%0.76680%0.801SS**  -132.682.882.137.7-27000114.4V1204P1202-V1204 PolarHBondContact O-N 2.65Å
1203T25.1Very low25.3Very low121 Ų121147.3 Ų147.374%0.74278%0.783SS**  trans-76.458.9171.6-43.90000112.3L1201 R1205L1201-T1203 WeakPolarHBondContact CD2-OG1 3.42Å; T1203-R1205 PolarHBondContact O-N 3.27Å
1204V23.8Very low25.6Very low129 Ų129143.7 Ų143.778%0.78277%0.767SS**  trans-102.583.8-174.6-172.40000112.3P1202P1202-V1204 PolarHBondContact O-N 2.65Å
1205R21.2Very low25.9Very low227 Ų227139.6 Ų139.686%0.85776%0.759SS**  trans9.4112.5155.8-58179.2-176.5-177.20.9117.5T1203 R1207T1203-R1205 PolarHBondContact O-N 3.27Å; R1205-R1207 PolarHBondContact O-N 3.46Å; R1205-R1207 VanDerWaalsContact O-N 3.17Å
1206V24.1Very low26.1Very low148 Ų148139.9 Ų139.990%0.89775%0.749SS**  trans-58.6118155.51780000109L1208V1206-L1208 PolarHBondContact O-N 2.93Å
1207R23.8Very low26.4Very low236 Ų236144.3 Ų144.389%0.89176%0.756SS**  trans-67.4117.5-178.5-91.4178.2163.4150-5.6111.7R1205 G1209R1205-R1207 PolarHBondContact O-N 3.46Å; R1205-R1207 VanDerWaalsContact O-N 3.17Å; R1207-G1209 PolarHBondContact O-N 3.25Å
1208L22.5Very low27.4Very low178 Ų178145.1 Ų145.193%0.93276%0.761SS**  trans-70.379.5159-82.6166.7000110.3V1206 R1210V1206-L1208 PolarHBondContact O-N 2.93Å; L1208-R1210 PolarHBondContact O-N 3.44Å
1209G24.8Very low27.5Very low72 Ų72146 Ų14674%0.74276%0.756SS**  trans-69.6111.117700000112.4R1207R1207-G1209 PolarHBondContact O-N 3.25Å
1210R25.9Very low27.5Very low234 Ų234153 Ų15388%0.88377%0.768SS**  trans-78.3131.2177.4-84.7-174.9173.3-179.4-1.5112.7L1208L1208-R1210 PolarHBondContact O-N 3.44Å
1211T27Very low27.4Very low135 Ų135148.2 Ų148.283%0.82876%0.762SS**  trans26.2124.5141.1590000120.7
1212G25.4Very low27.5Very low73 Ų73149.5 Ų149.575%0.75377%0.769SS**  trans159.5111.8149.700000117.7
1213R29.9Very low27.4Very low139 Ų139151.9 Ų151.953%0.52577%0.772SS.*  trans-152.8132.7154.7-73.8-161.5175.1-169.9-4.2109.5S702 P703S702-R1213 PolarHBondContact OG-NH1 3.37Å; P703-R1213 VanDerWaalsContact C-NH1 3.29Å; P703-R1213 PolarHBondContact O-NH1 3.3Å; P703-R1213 PolarHBondContact O-NH2 3.12Å
1214V31.7Very low27.6Very low65 Ų65153.8 Ų153.839%0.39478%0.777SS.*BIsolated β-bridgetrans-135140-168.3-154.40000113.4V698 I699 S701 R1216V698-V1214 HydrophobicContact CG1-CB 4.1Å; V698-V1214 HydrophobicContact CG1-CG1 3.82Å; I699-V1214 CarbonylContact C-O 3.58Å; I699-V1214 HydrophobicContact CB-CG2 4.07Å; I699-V1214 WeakPolarHBondContact O-CA 3.08Å; I699-V1214 VanDerWaalsContact O-CB 3.24Å; I699-V1214 WeakPolarHBondContact O-CB 3.35Å; I699-V1214 WeakPolarHBondContact O-CG2 3.34Å; I699-V1214 PolarHBondContact O-N 2.99Å; S701-V1214 PolarHBondContact N-O 3.07Å; S701-V1214 PolarHBondContact OG-O 2.92Å; S701-V1214 VanDerWaalsContact OG-O 3.14Å; V1214-R1216 PolarHBondContact O-N 3.09Å
1215G31.1Very low27.5Very low59 Ų59153.1 Ų153.161%0.60877%0.769SS**  trans-81.8103.2-170.300000116.8V698 R1217V698-G1215 VanDerWaalsContact CG1-C 3.43Å; V698-G1215 WeakPolarHBondContact CG1-O 3.45Å; G1215-R1217 PolarHBondContact O-N 3.36Å
1216R29.4Very low27.6Very low163 Ų163148.6 Ų148.662%0.61576%0.759SS**  trans-34.7116.6163.255151.7126.7143.6-4.7118.2V698 V1214V698-R1216 HydrophobicContact CB-CB 4.16Å; V698-R1216 HydrophobicContact CB-CG 4.41Å; V698-R1216 HydrophobicContact CG1-CB 3.63Å; V698-R1216 HydrophobicContact CG1-CG 3.9Å; V698-R1216 PolarHBondContact O-NE 2.87Å; V698-R1216 PolarHBondContact O-NH2 2.83Å; V1214-R1216 PolarHBondContact O-N 3.09Å
1217R32.4Very low27.6Very low236 Ų236151.5 Ų151.589%0.89175%0.754SS**  -168.8150.3119.8-105.6169.5-175.4-166.80.6114.3G1215G1215-R1217 PolarHBondContact O-N 3.36Å
1218P46.3Very low27.5Very low117 Ų117144.8 Ų144.876%0.7674%0.744SS**  trans-127.1168.1-171.742.9-30.5000116.5
1219R32.1Very low27.5Very low227 Ų227143.1 Ų143.186%0.85774%0.736SS**  trans-173.7137.6142.9-114.1179179.2-179.1-0.1115.8
1220R27.4Very low27.4Very low236 Ų236145.7 Ų145.789%0.89174%0.736SS**  trans56129.2152.7-73.2-175.2171-178.1-4.3121.3
1221G23.4Very low27.2Very low67 Ų67140.4 Ų140.469%0.69173%0.725SS**  trans148.689.8136.200000117.4
1222N27.8Very low27Very low160 Ų160140.6 Ų140.686%0.85672%0.716SS**  trans59.7138.7163.8-550.6000116.9
1223M21.3Very low27.1Very low168 Ų168145.6 Ų145.683%0.82872%0.717SS**  cis69.679.822-60.4-81.294.900115.9
1224L28Very low26.8Very low160 Ų160141.6 Ų141.684%0.83872%0.72SS**  -163.1122.2112.5-86.7170.5000104.8
1225N22.2Very low26.6Very low116 Ų116144.5 Ų144.562%0.6273%0.733SS**  62.598.556.3-169.924.3000113.2
1226M23.3Very low26.2Very low132 Ų132149.6 Ų149.665%0.6574%0.741SS**  -174.5138.5117.7-97.9-61.6173.200113.3
1227R23.2Very low26Very low208 Ų208150.9 Ų150.979%0.78576%0.757SS**  trans49.7111.8142.3-80.3169.9176.6164.8-2.1122.4
1228S23.3Very low25.5Very low96 Ų96144.9 Ų144.967%0.67175%0.746SS**  107123.6117.6-65.70000116.7
1229N21.2Very low24.5Very low143 Ų143148.4 Ų148.477%0.76575%0.75SS**  cis80.9144.243.5-79.25.1000113.6
1230V22.6Very low24.1Very low125 Ų125145.1 Ų145.176%0.75874%0.744SS**  trans68.9125.3148.6159.80000114.4
1231L22.5Very low23.9Very low123 Ų123139 Ų13964%0.64473%0.733SS**  cis-175.4172.5-5.6-151.562.1000106.8
1232E21.8Very low23.9Very low139 Ų139143 Ų14365%0.6574%0.737SS**  trans64168151.8-81.8164.3-16300117.6
1233K27.7Very low24.3Very low178 Ų178141.2 Ų141.277%0.77473%0.734SS**  cis-148176.67.7-137.6146.2-171.7145.90110
1234G24.2Very low24.4Very low56 Ų56141.4 Ų141.458%0.57773%0.733SS**  trans110.472.2158.200000116.6
1235D28.4Very low24.3Very low125 Ų125140.6 Ų140.667%0.66874%0.735SS**  50.8110.5123.2-51.6-44.5000119.2
1236Q21.7Very low24.4Very low167 Ų167139.9 Ų139.978%0.7874%0.739SS**  63.3104.277.7-65.1179.688.100113.6
1237M26Very low24.4Very low190 Ų190141.1 Ų141.194%0.93675%0.748SS**  -165.2152.699.1-95.4-168.2-174.500112.1
1238T21.4Very low24.7Very low110 Ų110136 Ų13668%0.67575%0.751SS**  trans-95.7156.7173490000110.8
1239F24.9Very low24.9Very low190 Ų190138.9 Ų138.983%0.83376%0.758SS**  -177.5126.8124.6-96.7-63.4000115.4
1240H23.8Very low25.3Very low159 Ų159139.6 Ų139.674%0.73676%0.762SS**  trans-10.8135.1157.7-75.1-70000125.6
1241T23.6Very low25.6Very low106 Ų106138.6 Ų138.665%0.6576%0.761SS**  74.2104117.9-48.10000123.2
1242I22.5Very low25.9Very low152 Ų152140.2 Ų140.278%0.77977%0.767SS**  35.2125.3115.2-57.6168.9000117.6
1243P37.5Very low26.1Very low123 Ų123139.9 Ų139.980%0.79977%0.769SS**  -155.3-178.881.942.9-22000120.4
1244Q22Very low25.9Very low171 Ų171138.1 Ų138.180%0.79977%0.768SS**  trans-48.3155.2-178.5-54.4163.4-9.800118.8
1245T25.6Very low25.9Very low144 Ų144142.7 Ų142.788%0.88378%0.779SS**  175.6-159.3110.835.90000112
1246S25.3Very low25.8Very low100 Ų100141.4 Ų141.470%0.69978%0.775SS**  trans-111.1166.5-151.956.60000117.1
1247N24.2Very low26.2Very low159 Ų159138.6 Ų138.685%0.8577%0.77SS**  trans60.2114.1158.2-69.2-8.3000120.2
1248A29.6Very low26Very low101 Ų101134.8 Ų134.884%0.83575%0.75SS**  trans-168.4152.6131.100000112
1249N27.6Very low26.9Very low156 Ų156132.7 Ų132.783%0.83474%0.738SS**  trans-111146.1156.3-67.7-69.6000107.6
1250N28.8Very low27.7Very low158 Ų158127.7 Ų127.785%0.84573%0.725SS**  trans-173.9140.3147-103.9-22.4000115.3
1251S27.7Very low27.8Very low104 Ų104123.9 Ų123.973%0.72771%0.713SS**  trans65.6170.3147.369.10000121.4
1252M29.5Very low27.8Very low156 Ų156124.7 Ų124.777%0.76871%0.713SS**  trans67118.2171.6-50.8-129.367.900115.9
1253L26.8Very low27.9Very low133 Ų133125.9 Ų125.970%0.69672%0.72SS**  cis8899.112.1-149.580.2000116.5
1254D23.2Very low27.2Very low140 Ų140124.3 Ų124.375%0.74971%0.712SS**  trans59.2132141.4-49.4-13.5000124.4
1255D23.5Very low27.3Very low153 Ų153124.3 Ų124.382%0.81871%0.714SS**  trans106.5154.4130-141.66.9000122.9
1256V27.7Very low27.5Very low97 Ų97126.8 Ų126.859%0.58872%0.715SS**  trans74.898.3158.7-167.80000123
1257T28.2Very low27.4Very low108 Ų108127.2 Ų127.266%0.66372%0.718SS**  63.2147.8119.6-43.40000125.5I674I674-T1257 WeakPolarHBondContact CD1-O 3.39Å; I674-T1257 WeakPolarHBondContact CG1-O 3.43Å
1258E23.8Very low27.7Very low110 Ų110126.5 Ų126.551%0.51472%0.72SS.*  trans-52.9173.8-166.1-62.4166.4158.300119.7T675 N676T675-E1258 HydrophobicContact CG2-CG 3.89Å; T675-E1258 WeakPolarHBondContact OG1-CA 3.4Å; N676-E1258 PolarHBondContact ND2-OE1 2.81Å
1259P39Very low27.8Very low67 Ų67126.5 Ų126.544%0.43571%0.714SS.*  cis-138.3-111.721.126.44.9000119.9I674 T675 N676I674-P1259 WeakPolarHBondContact CG2-O 3.3Å; T675-P1259 CarbonylContact C-O 3.59Å; T675-P1259 VanDerWaalsContact CA-O 3.26Å; T675-P1259 WeakPolarHBondContact CA-O 3.2Å; T675-P1259 WeakPolarHBondContact CB-O 3.38Å; T675-P1259 PolarHBondContact N-O 3.23Å; T675-P1259 VanDerWaalsContact OG1-CA 3.28Å; T675-P1259 WeakPolarHBondContact OG1-CA 3.3Å; T675-P1259 PolarHBondContact OG1-O 3.12Å; N676-P1259 HydrophobicContact CB-CB 4.47Å; N676-P1259 PolarHBondContact N-O 2.87Å; N676-P1259 CarbonylContact O-C 3.54Å; N676-P1259 VanDerWaalsContact O-C 3.24Å
1260P42.9Very low28.3Very low85 Ų85128.5 Ų128.555%0.55272%0.715SS**  trans33.4153.8-157.512.214.6000128.1T675 N676T675-P1260 CarbonylContact C-O 3.59Å; N676-P1260 VanDerWaalsContact C-C 3.48Å; N676-P1260 CarbonylContact C-O 3.33Å; N676-P1260 PolarHBondContact N-O 3.32Å; N676-P1260 CarbonylContact O-C 3.57Å; N676-P1260 WeakPolarHBondContact O-CA 3.1Å; N676-P1260 WeakPolarHBondContact O-CB 3.29Å; N676-P1260 VanDerWaalsContact O-CG 3.25Å; N676-P1260 WeakPolarHBondContact O-CG 3.39Å
1261V24.4Very low28.8Very low79 Ų79128.3 Ų128.348%0.47971%0.714SS.*  trans-105.2144.1-167.8172.30000116.2D677 M678D677-V1261 VanDerWaalsContact N-CG2 3.35Å; D677-V1261 WeakPolarHBondContact O-CG2 3.4Å; M678-V1261 WeakPolarHBondContact O-CG2 3.44Å
1262D24.8Very low29.6Very low122 Ų122128.2 Ų128.265%0.65271%0.709SS**  168.6143.3112.3-167.517.4000112.6
1263L24.9Very low31.1Very low178 Ų178124.5 Ų124.593%0.93270%0.698SS**  trans-143.279.8173.8-79.6178.9000112.2
1264S22.4Very low33.4Very low90 Ų90122.5 Ų122.563%0.62969%0.692SS**  trans-130.5125.216276.10000114.1
1265M24Very low36Very low170 Ų170119.7 Ų119.784%0.83768%0.676SS**  trans54.2101.2162.9-57.7-160.369.800119.8
1266Q29.7Very low38.9Very low197 Ų197116.5 Ų116.592%0.92167%0.666SS**  -160.8173.5104.4-108.1155.7101.200114.5
1267S23.5Very low41.6Very low109 Ų109111.9 Ų111.976%0.76264%0.638SS**  trans-110.8130-161.856.40000114.1
1268T29.7Very low43.9Very low143 Ų143111.9 Ų111.988%0.87764%0.64SS**  trans-134.8166.5163.549.90000112.2
1269S31.6Very low46.4Very low101 Ų101111 Ų11171%0.70664%0.642SS**  trans-63.7130.4-168.3450000115.3
1270K38.4Very low48.8Very low198 Ų198110.4 Ų110.486%0.86164%0.639SS**  trans-91.9110.8155.7-70.2-166.2176-170.60109.6T1272K1270-T1272 PolarHBondContact O-N 3.45Å; K1270-T1272 VanDerWaalsContact O-N 3.13Å
1271N39.7Very low50.4Low154 Ų154111 Ų11182%0.82465%0.645SS**  trans-62.9110.5178.1-70.5-15.2000110.5S1273N1271-S1273 PolarHBondContact O-N 2.74Å
1272T43.4Very low53.4Low103 Ų103110.7 Ų110.763%0.63264%0.643SS**  trans-82.5108.8174.153.30000109.8K1270 T1274K1270-T1272 PolarHBondContact O-N 3.45Å; K1270-T1272 VanDerWaalsContact O-N 3.13Å; T1272-T1274 PolarHBondContact O-N 2.97Å
1273S61Low56Low77 Ų77109.4 Ų109.454%0.53864%0.641SS.*  trans-57.312417548.40000111.6N1271 S1286N1271-S1273 PolarHBondContact O-N 2.74Å; S1273-S1286 WeakPolarHBondContact O-CB 3.36Å; S1273-S1286 PolarHBondContact O-N 2.68Å; S1273-S1286 PolarHBondContact O-OG 3.17Å; S1273-S1286 PolarHBondContact OG-OG 2.71Å
1274T75.5Confident59Low91 Ų91101.7 Ų101.756%0.55860%0.602SS**EExtended strand (participates in β ladder)trans-99.8129.5172.6480000109.7T1272T1272-T1274 PolarHBondContact O-N 2.97Å
1275L78.6Confident62.1Low81 Ų8198.8 Ų98.842%0.42458%0.583SS.*EExtended strand (participates in β ladder)trans-108.1132.1175.6-62.8171.4000108.5V1284 F1289L1275-V1284 PolarHBondContact N-O 2.83Å; L1275-V1284 PolarHBondContact O-N 3.4Å; L1275-F1289 HydrophobicContact CB-CD2 3.61Å; L1275-F1289 HydrophobicContact CB-CE2 3.69Å; L1275-F1289 HydrophobicContact CB-CG 4.16Å; L1275-F1289 HydrophobicContact CB-CZ 4.31Å; L1275-F1289 HydrophobicContact CD1-CB 4.29Å; L1275-F1289 HydrophobicContact CD1-CD1 4.01Å; L1275-F1289 HydrophobicContact CD1-CD2 4.26Å; L1275-F1289 HydrophobicContact CD1-CE1 4.37Å; L1275-F1289 HydrophobicContact CD1-CG 3.95Å
1276S84.2Confident64.8Low86 Ų8693.3 Ų93.360%0.60156%0.561SS**EExtended strand (participates in β ladder)trans-71.3135171.242.50000110.2F1289S1276-F1289 WeakPolarHBondContact O-CE2 3.33Å
1277C84.3Confident67.2Low1 Ų194.5 Ų94.51%0.00756%0.557CS.*  trans-74.2127.7173.2-177.50000110.5V1279 C1280 S1281 V1282 H1292 H1296C1277-V1279 PolarHBondContact O-N 3.43Å; C1277-V1279 PolarHBondContact SG-N 3.29Å; C1277-V1279 VanDerWaalsContact SG-N 3.45Å; C1277-C1280 PolarHBondContact O-N 3.27Å; C1277-S1281 WeakPolarHBondContact O-CA 3.34Å; C1277-S1281 PolarHBondContact O-N 3.11Å; C1277-V1282 PolarHBondContact N-O 2.86Å; C1277-H1292 WeakPolarHBondContact CB-NE2 3.41Å; C1277-H1292 PolarHBondContact SG-CD2 2.72Å; C1277-H1292 PolarHBondContact SG-NE2 3.03Å; C1277-H1292 VanDerWaalsContact SG-NE2 3.41Å; C1277-H1296 PolarHBondContact SG-NE2 2.97Å
1278P75.8Confident70.2Confident107 Ų10792 Ų9270%0.69554%0.539SS*.THydrogen-bonded Turntrans-66.8-17.4177.926.9-35.1000113.9
1279V77.5Confident72.9Confident91 Ų9187.3 Ų87.355%0.55251%0.507SS*.THydrogen-bonded Turntrans-91.3-23.5-176.5-170.20000112.9C1277 L1293 H1296C1277-V1279 PolarHBondContact O-N 3.43Å; C1277-V1279 PolarHBondContact SG-N 3.29Å; C1277-V1279 VanDerWaalsContact SG-N 3.45Å; V1279-L1293 HydrophobicContact CG2-CD2 4.46Å; V1279-H1296 HydrophobicContact CB-CB 4.46Å; V1279-H1296 HydrophobicContact CG1-CB 4.15Å; V1279-H1296 HydrophobicContact CG2-CB 4.36Å
1280C88.1Confident75Confident56 Ų5692.7 Ų92.738%0.37851%0.512SS..THydrogen-bonded Turntrans-148.815.7-178.876.60000115.2C1277 V1282 H1292C1277-C1280 PolarHBondContact O-N 3.27Å; C1280-V1282 PolarHBondContact O-N 3.39Å; C1280-H1292 PolarHBondContact SG-NE2 2.93Å; C1280-H1292 VanDerWaalsContact SG-NE2 3.39Å
1281S77Confident76.8Confident97 Ų9792.3 Ų92.368%0.67851%0.505SS*.  trans56.3-3.5175.5-55.90000118.2C1277C1277-S1281 WeakPolarHBondContact O-CA 3.34Å; C1277-S1281 PolarHBondContact O-N 3.11Å
1282V86.3Confident78.9Confident73 Ų7386.9 Ų86.944%0.44247%0.474SS..  trans-63131.9178.9174.70000110.6C1277 C1280 V1284C1277-V1282 PolarHBondContact N-O 2.86Å; C1280-V1282 PolarHBondContact O-N 3.39Å; V1282-V1284 HydrophobicContact CG1-CG2 4.2Å; V1282-V1284 PolarHBondContact O-N 3.27Å
1283P80Confident80.5Confident94 Ų9484 Ų8461%0.6146%0.455SS*.EExtended strand (participates in β ladder)trans-72.4121.8171.728.8-33.5000110.9
1284V88.9Confident81Confident17 Ų1783.3 Ų83.310%0.10345%0.447CS..EExtended strand (participates in β ladder)trans-121.5127.9-178.4-179.90000109.2L1275 V1282 S1286 C1288 F1289 H1292L1275-V1284 PolarHBondContact N-O 2.83Å; L1275-V1284 PolarHBondContact O-N 3.4Å; V1282-V1284 HydrophobicContact CG1-CG2 4.2Å; V1282-V1284 PolarHBondContact O-N 3.27Å; V1284-S1286 PolarHBondContact O-N 2.78Å; V1284-C1288 HydrophobicContact CG1-CB 3.6Å; V1284-F1289 HydrophobicContact CB-CD2 4.38Å; V1284-H1292 HydrophobicContact CG1-CB 4.16Å; V1284-H1292 HydrophobicContact CG2-CB 4.29Å
1285A86.6Confident80.9Confident29 Ų2984.6 Ų84.624%0.2445%0.45CS..EExtended strand (participates in β ladder)trans-54.9133.6173.900000110.5R1287 C1288 F1289A1285-R1287 VanDerWaalsContact C-N 3.29Å; A1285-R1287 PolarHBondContact O-N 3.02Å; A1285-R1287 VanDerWaalsContact O-N 3.07Å; A1285-C1288 WeakPolarHBondContact O-CA 3.31Å; A1285-C1288 WeakPolarHBondContact O-CB 3.45Å; A1285-C1288 PolarHBondContact O-N 3.35Å; A1285-F1289 PolarHBondContact O-N 3.33Å
1286S81.2Confident80.5Confident54 Ų5483.1 Ų83.138%0.37844%0.441SS..Hα-helixtrans-45.6-45.9-170.752.60000114.6S1273 V1284 C1288 F1289S1273-S1286 WeakPolarHBondContact O-CB 3.36Å; S1273-S1286 PolarHBondContact O-N 2.68Å; S1273-S1286 PolarHBondContact O-OG 3.17Å; S1273-S1286 PolarHBondContact OG-OG 2.71Å; V1284-S1286 PolarHBondContact O-N 2.78Å; S1286-C1288 PolarHBondContact O-N 3.29Å; S1286-F1289 VanDerWaalsContact O-CB 3.29Å; S1286-F1289 WeakPolarHBondContact O-CB 3.48Å; S1286-F1289 PolarHBondContact O-N 2.74Å
1287R80.1Confident78.8Confident222 Ų22285.7 Ų85.784%0.83844%0.444SS*.Hα-helixtrans-55.5-2217569.3178.5-176.7176.4-1115.7A1285A1285-R1287 VanDerWaalsContact C-N 3.29Å; A1285-R1287 PolarHBondContact O-N 3.02Å; A1285-R1287 VanDerWaalsContact O-N 3.07Å
1288C85Confident76.9Confident57 Ų5791.1 Ų91.139%0.38547%0.472SS..Hα-helixtrans-102.5-15.7178.8-670000112.8V1284 A1285 S1286 R1290 R1291 H1292V1284-C1288 HydrophobicContact CG1-CB 3.6Å; A1285-C1288 WeakPolarHBondContact O-CA 3.31Å; A1285-C1288 WeakPolarHBondContact O-CB 3.45Å; A1285-C1288 PolarHBondContact O-N 3.35Å; S1286-C1288 PolarHBondContact O-N 3.29Å; C1288-R1290 PolarHBondContact O-N 2.93Å; C1288-R1291 CarbonylContact O-C 3.57Å; C1288-R1291 PolarHBondContact O-N 2.9Å; C1288-H1292 PolarHBondContact O-N 3.19Å
1289F86.8Confident74.9Confident44 Ų4493.4 Ų93.419%0.19348%0.478CS..Hα-helixtrans-56.8-48.2-170.6-171.9-107.4000112.5L1275 S1276 V1284 A1285 S1286 R1291 H1292 L1293L1275-F1289 HydrophobicContact CB-CD2 3.61Å; L1275-F1289 HydrophobicContact CB-CE2 3.69Å; L1275-F1289 HydrophobicContact CB-CG 4.16Å; L1275-F1289 HydrophobicContact CB-CZ 4.31Å; L1275-F1289 HydrophobicContact CD1-CB 4.29Å; L1275-F1289 HydrophobicContact CD1-CD1 4.01Å; L1275-F1289 HydrophobicContact CD1-CD2 4.26Å; L1275-F1289 HydrophobicContact CD1-CE1 4.37Å; L1275-F1289 HydrophobicContact CD1-CG 3.95Å; S1276-F1289 WeakPolarHBondContact O-CE2 3.33Å; V1284-F1289 HydrophobicContact CB-CD2 4.38Å; A1285-F1289 PolarHBondContact O-N 3.33Å; S1286-F1289 VanDerWaalsContact O-CB 3.29Å; S1286-F1289 WeakPolarHBondContact O-CB 3.48Å; S1286-F1289 PolarHBondContact O-N 2.74Å; F1289-R1291 VanDerWaalsContact C-N 3.3Å; F1289-R1291 PolarHBondContact O-N 2.76Å; F1289-H1292 WeakPolarHBondContact O-CB 3.43Å; F1289-H1292 PolarHBondContact O-N 3.15Å; F1289-L1293 HydrophobicContact CD1-CD1 3.88Å; F1289-L1293 HydrophobicContact CE1-CD1 3.46Å; F1289-L1293 VanDerWaalsContact CE1-CD1 3.46Å; F1289-L1293 HydrophobicContact CE1-CG 4.34Å; F1289-L1293 HydrophobicContact CZ-CD1 4.01Å; F1289-L1293 PolarHBondContact O-N 2.98Å
1290R77.1Confident72.9Confident214 Ų21493.5 Ų93.581%0.80848%0.476SS*.Hα-helixtrans-60.8-36.9177.1-146.6178.4-162.8-179.26.5112.4C1288 H1292 T1294C1288-R1290 PolarHBondContact O-N 2.93Å; R1290-H1292 VanDerWaalsContact C-N 3.32Å; R1290-T1294 WeakPolarHBondContact O-CG2 3.15Å; R1290-T1294 PolarHBondContact O-N 2.93Å; R1290-T1294 VanDerWaalsContact O-N 3.1Å; R1290-T1294 PolarHBondContact O-OG1 3.01Å
1291R75.4Confident70.9Confident191 Ų19195.5 Ų95.572%0.72149%0.488SS*.Hα-helixtrans-75.7-20.6177-152.8-173.579162.53.3113.1C1288 F1289 T1294 L1295C1288-R1291 CarbonylContact O-C 3.57Å; C1288-R1291 PolarHBondContact O-N 2.9Å; F1289-R1291 VanDerWaalsContact C-N 3.3Å; F1289-R1291 PolarHBondContact O-N 2.76Å; R1291-T1294 WeakPolarHBondContact CA-OG1 2.97Å; R1291-T1294 PolarHBondContact O-OG1 3.44Å; R1291-T1294 VanDerWaalsContact O-OG1 3.14Å; R1291-L1295 WeakPolarHBondContact O-CG 3.47Å
1292H84.1Confident69.1Low39 Ų3996.3 Ų96.318%0.18149%0.489CS..Hα-helixtrans-81.5-42.1173.3179.790.1000110.8C1277 C1280 V1284 C1288 F1289 R1290 T1294 L1295 H1296C1277-H1292 WeakPolarHBondContact CB-NE2 3.41Å; C1277-H1292 PolarHBondContact SG-CD2 2.72Å; C1277-H1292 PolarHBondContact SG-NE2 3.03Å; C1277-H1292 VanDerWaalsContact SG-NE2 3.41Å; C1280-H1292 PolarHBondContact SG-NE2 2.93Å; C1280-H1292 VanDerWaalsContact SG-NE2 3.39Å; V1284-H1292 HydrophobicContact CG1-CB 4.16Å; V1284-H1292 HydrophobicContact CG2-CB 4.29Å; C1288-H1292 PolarHBondContact O-N 3.19Å; F1289-H1292 WeakPolarHBondContact O-CB 3.43Å; F1289-H1292 PolarHBondContact O-N 3.15Å; R1290-H1292 VanDerWaalsContact C-N 3.32Å; H1292-T1294 VanDerWaalsContact C-N 3.34Å; H1292-T1294 PolarHBondContact O-N 3.1Å; H1292-L1295 WeakPolarHBondContact O-CB 3.06Å; H1292-L1295 PolarHBondContact O-N 3.1Å; H1292-H1296 AromaticContact CD2-CD2 3.9Å; H1292-H1296 AromaticContact CD2-NE2 3.57Å; H1292-H1296 AromaticContact CE1-NE2 3.77Å; H1292-H1296 AromaticContact NE2-CD2 3.87Å; H1292-H1296 AromaticContact NE2-NE2 3.06Å; H1292-H1296 PolarHBondContact NE2-NE2 3.14Å; H1292-H1296 PolarHBondContact O-CD2 2.87Å
1293L77.5Confident66.6Low43 Ų43101.8 Ų101.823%0.22551%0.507CS..Hα-helixtrans-59.5-40.9171-79.2169.9000112.6V1279 F1289 L1295 H1296 Q1297V1279-L1293 HydrophobicContact CG2-CD2 4.46Å; F1289-L1293 HydrophobicContact CD1-CD1 3.88Å; F1289-L1293 HydrophobicContact CE1-CD1 3.46Å; F1289-L1293 VanDerWaalsContact CE1-CD1 3.46Å; F1289-L1293 HydrophobicContact CE1-CG 4.34Å; F1289-L1293 HydrophobicContact CZ-CD1 4.01Å; F1289-L1293 PolarHBondContact O-N 2.98Å; L1293-L1295 PolarHBondContact O-N 2.92Å; L1293-L1295 VanDerWaalsContact O-N 3.1Å; L1293-H1296 PolarHBondContact O-N 2.92Å; L1293-Q1297 PolarHBondContact O-N 2.96Å
1294T70.9Confident64.3Low62 Ų62105.2 Ų105.238%0.3851%0.508SS..THydrogen-bonded Turntrans-69.1-2.2173.857.70000114.7R1290 R1291 H1292 L1298R1290-T1294 WeakPolarHBondContact O-CG2 3.15Å; R1290-T1294 PolarHBondContact O-N 2.93Å; R1290-T1294 VanDerWaalsContact O-N 3.1Å; R1290-T1294 PolarHBondContact O-OG1 3.01Å; R1291-T1294 WeakPolarHBondContact CA-OG1 2.97Å; R1291-T1294 PolarHBondContact O-OG1 3.44Å; R1291-T1294 VanDerWaalsContact O-OG1 3.14Å; H1292-T1294 VanDerWaalsContact C-N 3.34Å; H1292-T1294 PolarHBondContact O-N 3.1Å; T1294-L1298 WeakPolarHBondContact O-CD1 3.45Å; T1294-L1298 WeakPolarHBondContact O-CG 3.28Å
1295L73.9Confident62.4Low118 Ų118107.7 Ų107.762%0.61853%0.525SS*.THydrogen-bonded Turntrans-94.7-12.2167.5-70168.5000112.5R1291 H1292 L1293R1291-L1295 WeakPolarHBondContact O-CG 3.47Å; H1292-L1295 WeakPolarHBondContact O-CB 3.06Å; H1292-L1295 PolarHBondContact O-N 3.1Å; L1293-L1295 PolarHBondContact O-N 2.92Å; L1293-L1295 VanDerWaalsContact O-N 3.1Å
1296H70Confident60.2Low50 Ų50113.1 Ų113.123%0.23155%0.545CS..THydrogen-bonded Turntrans-94.9-38.3168.7-60.8-69.9000111.3C1277 V1279 H1292 L1293 L1298C1277-H1296 PolarHBondContact SG-NE2 2.97Å; V1279-H1296 HydrophobicContact CB-CB 4.46Å; V1279-H1296 HydrophobicContact CG1-CB 4.15Å; V1279-H1296 HydrophobicContact CG2-CB 4.36Å; H1292-H1296 AromaticContact CD2-CD2 3.9Å; H1292-H1296 AromaticContact CD2-NE2 3.57Å; H1292-H1296 AromaticContact CE1-NE2 3.77Å; H1292-H1296 AromaticContact NE2-CD2 3.87Å; H1292-H1296 AromaticContact NE2-NE2 3.06Å; H1292-H1296 PolarHBondContact NE2-NE2 3.14Å; H1292-H1296 PolarHBondContact O-CD2 2.87Å; L1293-H1296 PolarHBondContact O-N 2.92Å; H1296-L1298 PolarHBondContact O-N 3.07Å
1297Q48.4Very low58.2Low140 Ų140112 Ų11265%0.65454%0.535SS*.SBendtrans-72.514.4174.7-62.3179.6-50.400114.6L1293L1293-Q1297 PolarHBondContact O-N 2.96Å
1298L43.4Very low56.5Low115 Ų115106.4 Ų106.460%0.60253%0.529SS*.  trans-107.192169.1-77.6171.2000106.8T1294 H1296 N1300T1294-L1298 WeakPolarHBondContact O-CD1 3.45Å; T1294-L1298 WeakPolarHBondContact O-CG 3.28Å; H1296-L1298 PolarHBondContact O-N 3.07Å; L1298-N1300 PolarHBondContact O-N 2.78Å
1299D35.6Very low54.7Low155 Ų155109.2 Ų109.283%0.82954%0.536SS*.  trans-67.566.3173.5-63.1-62.2000110.6
1300N34.9Very low53.4Low94 Ų94109.8 Ų109.850%0.50354%0.539SS..  trans-142.171.7-169.8-150.5-68.5000109.5L1298 V1302L1298-N1300 PolarHBondContact O-N 2.78Å; N1300-V1302 PolarHBondContact O-N 3.43Å; N1300-V1302 WeakPolarHBondContact OD1-CG2 3.39Å
1301P45.7Very low53Low98 Ų98103.4 Ų103.464%0.63652%0.524SS*.G310 helixtrans-64.2-7.4-174.725.2-34.5000114.3F1303 R1304P1301-F1303 PolarHBondContact O-N 3.37Å; P1301-R1304 PolarHBondContact O-N 3.19Å
1302V40.1Very low52.3Low113 Ų11397.9 Ų97.969%0.68551%0.505SS*.G310 helixtrans-51.2-23.5-178.9-176.70000114N1300N1300-V1302 PolarHBondContact O-N 3.43Å; N1300-V1302 WeakPolarHBondContact OD1-CG2 3.39Å
1303F33.5Very low51.6Low188 Ų188102 Ų10283%0.82553%0.525SS*.G310 helixtrans-105.212.7179-71.2-73.5000115.9P1301P1301-F1303 PolarHBondContact O-N 3.37Å
1304R32Very low51.3Low167 Ų167103.1 Ų103.163%0.6353%0.531SS*.  trans-128.7107.6168.8-83-178.4161.8-180-8.5111.4P1301 H1306P1301-R1304 PolarHBondContact O-N 3.19Å; R1304-H1306 PolarHBondContact O-N 3.05Å
1305C48.3Very low50.9Low69 Ų69101.4 Ų101.447%0.46652%0.519SS..  trans-64.7114.8169-1760000109.7L1307 C1308C1305-L1307 VanDerWaalsContact C-N 3.29Å; C1305-L1307 PolarHBondContact O-N 3.01Å; C1305-C1308 HydrophobicContact CB-CB 4.16Å; C1305-C1308 WeakPolarHBondContact O-CB 3.44Å; C1305-C1308 PolarHBondContact O-N 3.26Å; C1305-C1308 VanDerWaalsContact O-N 3.08Å
1306H41.1Very low51Low143 Ų14397.5 Ų97.566%0.66250%0.499SS*.G310 helixtrans-58.6-40.2179.6-109-85.1000112.4R1304 C1308 Q1309 Q1310R1304-H1306 PolarHBondContact O-N 3.05Å; H1306-C1308 PolarHBondContact O-N 2.81Å; H1306-C1308 VanDerWaalsContact O-N 3.16Å; H1306-Q1309 PolarHBondContact O-N 3.49Å; H1306-Q1310 PolarHBondContact O-N 3.32Å
1307L38.1Very low51.2Low31 Ų3198 Ų9816%0.16251%0.509CS..G310 helixtrans-56.2-31.7176.1-54.7168.8000112.3L1165 A1168 C1305 Q1309 Q1315L1165-L1307 HydrophobicContact CD2-CD1 3.85Å; L1165-L1307 HydrophobicContact CD2-CD2 3.75Å; L1165-L1307 HydrophobicContact CD2-CG 4.46Å; A1168-L1307 HydrophobicContact CB-CB 4.46Å; A1168-L1307 HydrophobicContact CB-CD1 4.07Å; C1305-L1307 VanDerWaalsContact C-N 3.29Å; C1305-L1307 PolarHBondContact O-N 3.01Å; L1307-Q1309 PolarHBondContact O-N 3.28Å; L1307-Q1315 VanDerWaalsContact O-CD 3.31Å; L1307-Q1315 PolarHBondContact O-NE2 3.33Å
1308C44.2Very low52.6Low104 Ų10493.6 Ų93.670%0.70349%0.491SS*.G310 helixtrans-78.1-1.6179.6-62.60000114.3C1305 H1306C1305-C1308 HydrophobicContact CB-CB 4.16Å; C1305-C1308 WeakPolarHBondContact O-CB 3.44Å; C1305-C1308 PolarHBondContact O-N 3.26Å; C1305-C1308 VanDerWaalsContact O-N 3.08Å; H1306-C1308 PolarHBondContact O-N 2.81Å; H1306-C1308 VanDerWaalsContact O-N 3.16Å
1309Q47Very low54.3Low116 Ų11689 Ų8954%0.54247%0.468SS..THydrogen-bonded Turntrans-113.3-22.6173.3-67.9176.498.500112.5H1306 L1307H1306-Q1309 PolarHBondContact O-N 3.49Å; L1307-Q1309 PolarHBondContact O-N 3.28Å
1310Q59.6Low56.4Low56 Ų5683.5 Ų83.526%0.26244%0.439SS..SBendtrans-61.8143.9170.7-86-176.4-2600112.1H1306 D1314 Q1315 T1318H1306-Q1310 PolarHBondContact O-N 3.32Å; Q1310-D1314 HydrophobicContact CB-CB 3.76Å; Q1310-D1314 HydrophobicContact CG-CB 3.76Å; Q1310-Q1315 HydrophobicContact CB-CG 3.75Å; Q1310-Q1315 PolarHBondContact O-NE2 3.36Å; Q1310-T1318 PolarHBondContact NE2-OG1 3.39Å
1311T69.7Low58.4Low79 Ų7984.4 Ų84.449%0.48544%0.44SS..  trans-66.8169.1171.271.80000111.1Q1313 D1314 Q1315T1311-Q1313 PolarHBondContact O-N 2.84Å; T1311-Q1313 PolarHBondContact OG1-N 2.88Å; T1311-D1314 VanDerWaalsContact CB-OD2 3.24Å; T1311-D1314 WeakPolarHBondContact CB-OD2 3.49Å; T1311-D1314 VanDerWaalsContact CG2-OD2 3.32Å; T1311-D1314 WeakPolarHBondContact CG2-OD2 3.22Å; T1311-D1314 PolarHBondContact N-OD2 3.19Å; T1311-D1314 PolarHBondContact O-N 2.94Å; T1311-D1314 PolarHBondContact OG1-N 3.4Å; T1311-D1314 PolarHBondContact OG1-OD2 3.47Å; T1311-Q1315 WeakPolarHBondContact O-CG 3.38Å; T1311-Q1315 PolarHBondContact O-N 2.83Å
1312F60.2Low60.1Low76 Ų7680.3 Ų80.333%0.33341%0.412SS..Hα-helixtrans-55.2-40172.1178.2-100.3000111.9A1172 V1173 S1176 Q1315 V1316A1172-F1312 HydrophobicContact CB-CD2 3.71Å; A1172-F1312 HydrophobicContact CB-CE2 4.18Å; V1173-F1312 HydrophobicContact CB-CE2 4.46Å; V1173-F1312 HydrophobicContact CG2-CE2 3.73Å; V1173-F1312 HydrophobicContact CG2-CZ 4.09Å; S1176-F1312 WeakPolarHBondContact OG-CB 3.5Å; S1176-F1312 WeakPolarHBondContact OG-CD2 3.43Å; S1176-F1312 WeakPolarHBondContact OG-CG 3.36Å; F1312-Q1315 PolarHBondContact O-N 3.5Å; F1312-V1316 HydrophobicContact CD1-CG2 4.29Å; F1312-V1316 HydrophobicContact CD2-CG2 4.49Å; F1312-V1316 HydrophobicContact CE1-CG2 3.85Å; F1312-V1316 HydrophobicContact CE2-CG2 4.06Å; F1312-V1316 HydrophobicContact CZ-CG2 3.72Å; F1312-V1316 WeakPolarHBondContact O-CB 3.26Å; F1312-V1316 WeakPolarHBondContact O-CG2 3.47Å; F1312-V1316 PolarHBondContact O-N 2.9Å
1313Q69.9Low62.1Low126 Ų12675.8 Ų75.859%0.58939%0.387SS*.Hα-helixtrans-68.1-40.6180-167.166.19.700111.7T1311 V1316 S1317T1311-Q1313 PolarHBondContact O-N 2.84Å; T1311-Q1313 PolarHBondContact OG1-N 2.88Å; Q1313-V1316 PolarHBondContact O-N 2.86Å; Q1313-S1317 WeakPolarHBondContact O-CB 3.45Å; Q1313-S1317 PolarHBondContact O-N 3.26Å; Q1313-S1317 PolarHBondContact O-OG 3.36Å
1314D70.7Confident64.3Low65 Ų6572.8 Ų72.835%0.34838%0.378SS..Hα-helixtrans-68.2-35.5177.5-52.1-47.9000112.2Q1310 T1311 S1317 T1318Q1310-D1314 HydrophobicContact CB-CB 3.76Å; Q1310-D1314 HydrophobicContact CG-CB 3.76Å; T1311-D1314 VanDerWaalsContact CB-OD2 3.24Å; T1311-D1314 WeakPolarHBondContact CB-OD2 3.49Å; T1311-D1314 VanDerWaalsContact CG2-OD2 3.32Å; T1311-D1314 WeakPolarHBondContact CG2-OD2 3.22Å; T1311-D1314 PolarHBondContact N-OD2 3.19Å; T1311-D1314 PolarHBondContact O-N 2.94Å; T1311-D1314 PolarHBondContact OG1-N 3.4Å; T1311-D1314 PolarHBondContact OG1-OD2 3.47Å; D1314-S1317 WeakPolarHBondContact CA-OG 3.39Å; D1314-S1317 PolarHBondContact O-OG 3.27Å; D1314-S1317 VanDerWaalsContact O-OG 3.04Å; D1314-T1318 VanDerWaalsContact O-CB 3.27Å; D1314-T1318 WeakPolarHBondContact O-CB 3.4Å; D1314-T1318 PolarHBondContact O-N 3.43Å; D1314-T1318 PolarHBondContact O-OG1 3.4Å
1315Q62.6Low66.3Low27 Ų2770.6 Ų70.613%0.12638%0.375CS..Hα-helixtrans-68.5-42.1174.8-70.1176.752.600110.9L1307 Q1310 T1311 F1312 L1319L1307-Q1315 VanDerWaalsContact O-CD 3.31Å; L1307-Q1315 PolarHBondContact O-NE2 3.33Å; Q1310-Q1315 HydrophobicContact CB-CG 3.75Å; Q1310-Q1315 PolarHBondContact O-NE2 3.36Å; T1311-Q1315 WeakPolarHBondContact O-CG 3.38Å; T1311-Q1315 PolarHBondContact O-N 2.83Å; F1312-Q1315 PolarHBondContact O-N 3.5Å; Q1315-L1319 VanDerWaalsContact O-CB 3.28Å; Q1315-L1319 WeakPolarHBondContact O-CB 3.4Å; Q1315-L1319 PolarHBondContact O-N 3.31Å
1316V76.3Confident67.9Low35 Ų3569.8 Ų69.821%0.21236%0.364CS..Hα-helixtrans-66.8-41.4175.5170.20000111.2F1312 Q1313 L1319 T1320F1312-V1316 HydrophobicContact CD1-CG2 4.29Å; F1312-V1316 HydrophobicContact CD2-CG2 4.49Å; F1312-V1316 HydrophobicContact CE1-CG2 3.85Å; F1312-V1316 HydrophobicContact CE2-CG2 4.06Å; F1312-V1316 HydrophobicContact CZ-CG2 3.72Å; F1312-V1316 WeakPolarHBondContact O-CB 3.26Å; F1312-V1316 WeakPolarHBondContact O-CG2 3.47Å; F1312-V1316 PolarHBondContact O-N 2.9Å; Q1313-V1316 PolarHBondContact O-N 2.86Å; V1316-L1319 PolarHBondContact O-N 2.99Å; V1316-T1320 WeakPolarHBondContact O-CB 3.36Å; V1316-T1320 PolarHBondContact O-N 2.93Å; V1316-T1320 PolarHBondContact O-OG1 2.78Å
1317S74.5Confident69.7Low62 Ų6266.1 Ų66.143%0.43435%0.354SS..Hα-helixtrans-66.4-44.2176.9680000111.6Q1313 D1314 L1319 T1320 H1321Q1313-S1317 WeakPolarHBondContact O-CB 3.45Å; Q1313-S1317 PolarHBondContact O-N 3.26Å; Q1313-S1317 PolarHBondContact O-OG 3.36Å; D1314-S1317 WeakPolarHBondContact CA-OG 3.39Å; D1314-S1317 PolarHBondContact O-OG 3.27Å; D1314-S1317 VanDerWaalsContact O-OG 3.04Å; S1317-L1319 VanDerWaalsContact C-N 3.3Å; S1317-L1319 PolarHBondContact O-N 2.64Å; S1317-T1320 PolarHBondContact O-N 2.96Å; S1317-H1321 WeakPolarHBondContact O-CB 3.32Å; S1317-H1321 PolarHBondContact O-N 3.44Å
1318T76.6Confident71.6Confident46 Ų4670.3 Ų70.328%0.28238%0.377SS..Hα-helixtrans-56.5-43.4173.7-56.80000111.5Q1310 D1314 W1322Q1310-T1318 PolarHBondContact NE2-OG1 3.39Å; D1314-T1318 VanDerWaalsContact O-CB 3.27Å; D1314-T1318 WeakPolarHBondContact O-CB 3.4Å; D1314-T1318 PolarHBondContact O-N 3.43Å; D1314-T1318 PolarHBondContact O-OG1 3.4Å; T1318-W1322 PolarHBondContact O-N 3.36Å
1319L80.8Confident72.9Confident20 Ų2068.9 Ų68.911%0.10536%0.36CS..Hα-helixtrans-74.9-30-179.2-156.5155000112.1L1165 A1169 Q1315 V1316 S1317 A1323 W1330L1165-L1319 HydrophobicContact CB-CD1 4.01Å; L1165-L1319 HydrophobicContact CB-CG 4.43Å; A1169-L1319 HydrophobicContact CB-CD1 3.58Å; Q1315-L1319 VanDerWaalsContact O-CB 3.28Å; Q1315-L1319 WeakPolarHBondContact O-CB 3.4Å; Q1315-L1319 PolarHBondContact O-N 3.31Å; V1316-L1319 PolarHBondContact O-N 2.99Å; S1317-L1319 VanDerWaalsContact C-N 3.3Å; S1317-L1319 PolarHBondContact O-N 2.64Å; L1319-A1323 WeakPolarHBondContact O-CB 3.42Å; L1319-A1323 PolarHBondContact O-N 2.92Å; L1319-W1330 HydrophobicContact CD2-CH2 3.67Å; L1319-W1330 HydrophobicContact CD2-CZ3 3.53Å
1320T78.4Confident74.6Confident39 Ų3965.4 Ų65.424%0.23934%0.342CS..Hα-helixtrans-70.6-42.2172.3-52.80000111.2V1316 S1317 A1323 I1324 L1354V1316-T1320 WeakPolarHBondContact O-CB 3.36Å; V1316-T1320 PolarHBondContact O-N 2.93Å; V1316-T1320 PolarHBondContact O-OG1 2.78Å; S1317-T1320 PolarHBondContact O-N 2.96Å; T1320-A1323 PolarHBondContact O-N 3.21Å; T1320-I1324 HydrophobicContact CG2-CD1 4.15Å; T1320-I1324 WeakPolarHBondContact O-CG1 3.46Å; T1320-I1324 PolarHBondContact O-N 3.5Å; T1320-L1354 HydrophobicContact CG2-CD2 4.46Å
1321H78.1Confident75.2Confident112 Ų11265.4 Ų65.452%0.51935%0.352SS..Hα-helixtrans-58.8-49.6174.2-158.5-84.1000110.3S1317 A1323 I1324 E1325S1317-H1321 WeakPolarHBondContact O-CB 3.32Å; S1317-H1321 PolarHBondContact O-N 3.44Å; H1321-A1323 VanDerWaalsContact C-N 3.32Å; H1321-A1323 PolarHBondContact O-N 2.96Å; H1321-I1324 PolarHBondContact O-N 3.24Å; H1321-E1325 IonicContact CE1-OE1 3.23Å; H1321-E1325 PolarHBondContact CE1-OE1 3.28Å; H1321-E1325 VanDerWaalsContact CE1-OE1 3.23Å; H1321-E1325 IonicContact CE1-OE2 3.35Å; H1321-E1325 PolarHBondContact CE1-OE2 2.9Å; H1321-E1325 IonicContact CG-OE2 3.89Å; H1321-E1325 IonicContact ND1-OE1 3.5Å; H1321-E1325 IonicContact ND1-OE2 2.72Å; H1321-E1325 PolarHBondContact ND1-OE2 3.41Å; H1321-E1325 PolarHBondContact O-N 3.1Å
1322W80.8Confident75.4Confident12 Ų1267.6 Ų67.65%0.04536%0.355CS..Hα-helixtrans-60.1-38.5175.8-169.176000113P1162 L1165 T1318 I1324 H1326 E1329 W1330P1162-W1322 HydrophobicContact CB-CE3 4.3Å; P1162-W1322 HydrophobicContact CB-CH2 3.51Å; P1162-W1322 HydrophobicContact CB-CZ2 4.14Å; P1162-W1322 HydrophobicContact CB-CZ3 3.57Å; P1162-W1322 HydrophobicContact CG-CH2 3.67Å; P1162-W1322 HydrophobicContact CG-CZ2 4.13Å; P1162-W1322 HydrophobicContact CG-CZ3 4.25Å; L1165-W1322 HydrophobicContact CD1-CB 4.42Å; L1165-W1322 HydrophobicContact CD1-CD2 4.25Å; L1165-W1322 HydrophobicContact CD1-CG 4.12Å; T1318-W1322 PolarHBondContact O-N 3.36Å; W1322-I1324 VanDerWaalsContact C-N 3.28Å; W1322-I1324 PolarHBondContact O-N 3.06Å; W1322-H1326 AromaticContact CD1-CD2 3.16Å; W1322-H1326 AromaticContact CD1-CG 3.93Å; W1322-H1326 AromaticContact CD1-NE2 3.52Å; W1322-H1326 HydrophobicContact CD2-CB 4.37Å; W1322-H1326 AromaticContact CE2-CD2 3.88Å; W1322-H1326 AromaticContact CE2-CG 3.85Å; W1322-H1326 AromaticContact CG-CD2 3.89Å; W1322-H1326 HydrophobicContact CH2-CB 4.49Å; W1322-H1326 HydrophobicContact CZ2-CB 3.89Å; W1322-H1326 AromaticContact NE1-CD2 3.15Å; W1322-H1326 PolarHBondContact NE1-CD2 2.83Å; W1322-H1326 AromaticContact NE1-CE1 3.96Å; W1322-H1326 AromaticContact NE1-CG 3.45Å; W1322-H1326 AromaticContact NE1-ND1 3.93Å; W1322-H1326 AromaticContact NE1-NE2 3.48Å; W1322-H1326 PolarHBondContact NE1-NE2 2.84Å; W1322-H1326 WeakPolarHBondContact O-CB 3.29Å; W1322-H1326 PolarHBondContact O-N 3.12Å; W1322-E1329 HydrophobicContact CH2-CB 3.75Å; W1322-E1329 HydrophobicContact CZ2-CB 3.94Å; W1322-W1330 HydrophobicContact CE3-CE3 4.01Å; W1322-W1330 HydrophobicContact CZ3-CB 4.45Å; W1322-W1330 AromaticContact CZ3-CE3 3.85Å; W1322-W1330 HydrophobicContact CZ3-CE3 3.85Å
1323A82.6Confident76.1Confident18 Ų1864.7 Ų64.715%0.14934%0.342CS..Hα-helixtrans-67.6-26.1176.500000113.7L1319 T1320 H1321 S1327 W1330L1319-A1323 WeakPolarHBondContact O-CB 3.42Å; L1319-A1323 PolarHBondContact O-N 2.92Å; T1320-A1323 PolarHBondContact O-N 3.21Å; H1321-A1323 VanDerWaalsContact C-N 3.32Å; H1321-A1323 PolarHBondContact O-N 2.96Å; A1323-S1327 WeakPolarHBondContact O-CA 3.46Å; A1323-W1330 HydrophobicContact CB-CB 4.43Å; A1323-W1330 HydrophobicContact CB-CD2 3.5Å; A1323-W1330 VanDerWaalsContact CB-CD2 3.5Å; A1323-W1330 HydrophobicContact CB-CE3 3.7Å; A1323-W1330 HydrophobicContact CB-CG 3.81Å; A1323-W1330 HydrophobicContact CB-CZ2 4.33Å; A1323-W1330 HydrophobicContact CB-CZ3 4.23Å
1324I78.5Confident76.4Confident126 Ų12660.6 Ų60.665%0.64633%0.325SS*.Hα-helixtrans-81.1-54.8175.2-68.1164000110T1320 H1321 W1322 H1326T1320-I1324 HydrophobicContact CG2-CD1 4.15Å; T1320-I1324 WeakPolarHBondContact O-CG1 3.46Å; T1320-I1324 PolarHBondContact O-N 3.5Å; H1321-I1324 PolarHBondContact O-N 3.24Å; W1322-I1324 VanDerWaalsContact C-N 3.28Å; W1322-I1324 PolarHBondContact O-N 3.06Å; I1324-H1326 PolarHBondContact O-N 3.41Å
1325E75.1Confident76.5Confident121 Ų12165.3 Ų65.357%0.56534%0.343SS*.Hα-helixtrans-61.3-45.5-178.8-71.2176.9127.200112.4H1321H1321-E1325 IonicContact CE1-OE1 3.23Å; H1321-E1325 PolarHBondContact CE1-OE1 3.28Å; H1321-E1325 VanDerWaalsContact CE1-OE1 3.23Å; H1321-E1325 IonicContact CE1-OE2 3.35Å; H1321-E1325 PolarHBondContact CE1-OE2 2.9Å; H1321-E1325 IonicContact CG-OE2 3.89Å; H1321-E1325 IonicContact ND1-OE1 3.5Å; H1321-E1325 IonicContact ND1-OE2 2.72Å; H1321-E1325 PolarHBondContact ND1-OE2 3.41Å; H1321-E1325 PolarHBondContact O-N 3.1Å
1326H80.7Confident76.7Confident51 Ų5170 Ų7024%0.23636%0.362CS..THydrogen-bonded Turntrans-106.940.3-175.6-52.6-103.1000111.5E1159 W1322 I1324 N1328 E1329 W1330E1159-H1326 IonicContact OE1-CE1 3.07Å; E1159-H1326 PolarHBondContact OE1-CE1 3.5Å; E1159-H1326 IonicContact OE1-ND1 2.65Å; E1159-H1326 PolarHBondContact OE1-ND1 3.17Å; W1322-H1326 AromaticContact CD1-CD2 3.16Å; W1322-H1326 AromaticContact CD1-CG 3.93Å; W1322-H1326 AromaticContact CD1-NE2 3.52Å; W1322-H1326 HydrophobicContact CD2-CB 4.37Å; W1322-H1326 AromaticContact CE2-CD2 3.88Å; W1322-H1326 AromaticContact CE2-CG 3.85Å; W1322-H1326 AromaticContact CG-CD2 3.89Å; W1322-H1326 HydrophobicContact CH2-CB 4.49Å; W1322-H1326 HydrophobicContact CZ2-CB 3.89Å; W1322-H1326 AromaticContact NE1-CD2 3.15Å; W1322-H1326 PolarHBondContact NE1-CD2 2.83Å; W1322-H1326 AromaticContact NE1-CE1 3.96Å; W1322-H1326 AromaticContact NE1-CG 3.45Å; W1322-H1326 AromaticContact NE1-ND1 3.93Å; W1322-H1326 AromaticContact NE1-NE2 3.48Å; W1322-H1326 PolarHBondContact NE1-NE2 2.84Å; W1322-H1326 WeakPolarHBondContact O-CB 3.29Å; W1322-H1326 PolarHBondContact O-N 3.12Å; I1324-H1326 PolarHBondContact O-N 3.41Å; H1326-N1328 PolarHBondContact O-N 3.21Å; H1326-E1329 HydrophobicContact CB-CB 4.24Å; H1326-E1329 CarbonylContact O-C 3.57Å; H1326-E1329 WeakPolarHBondContact O-CA 3.4Å; H1326-E1329 PolarHBondContact O-N 3.42Å; H1326-W1330 PolarHBondContact O-N 2.87Å
1327S79.6Confident75.4Confident66 Ų6669.3 Ų69.346%0.46236%0.358SS..Hα-helixtrans-46.5-34.7-17759.70000115A1323 A1331A1323-S1327 WeakPolarHBondContact O-CA 3.46Å; S1327-A1331 WeakPolarHBondContact O-CB 3.18Å; S1327-A1331 PolarHBondContact O-N 3.09Å
1328N76.8Confident74.7Confident120 Ų12070.2 Ų70.264%0.64236%0.364SS*.Hα-helixtrans-69.6-41.9174-75.7-48.4000113.7H1326 A1331 K1332H1326-N1328 PolarHBondContact O-N 3.21Å; N1328-A1331 PolarHBondContact O-N 3.49Å; N1328-K1332 WeakPolarHBondContact O-CG 3.46Å; N1328-K1332 PolarHBondContact O-N 3.46Å
1329E72.9Confident73.6Confident73 Ų7372.9 Ų72.934%0.34138%0.384SS..Hα-helixtrans-73.8-33.1173.8-61.2-47.5127.100111.4W1322 H1326 K1332 F1333W1322-E1329 HydrophobicContact CH2-CB 3.75Å; W1322-E1329 HydrophobicContact CZ2-CB 3.94Å; H1326-E1329 HydrophobicContact CB-CB 4.24Å; H1326-E1329 CarbonylContact O-C 3.57Å; H1326-E1329 WeakPolarHBondContact O-CA 3.4Å; H1326-E1329 PolarHBondContact O-N 3.42Å; E1329-K1332 PolarHBondContact O-N 2.92Å; E1329-K1332 WeakPolarHBondContact OE1-CD 3.49Å; E1329-K1332 IonicContact OE1-NZ 2.79Å; E1329-K1332 PolarHBondContact OE1-NZ 3.42Å; E1329-K1332 WeakPolarHBondContact OE2-CD 3.39Å; E1329-K1332 IonicContact OE2-NZ 3.52Å; E1329-F1333 WeakPolarHBondContact O-CB 3.29Å; E1329-F1333 PolarHBondContact O-N 2.73Å
1330W81.3Confident72.1Confident44 Ų4474.2 Ų74.217%0.16740%0.396CS..Hα-helixtrans-59.3-46.2168.1-176.8-108000111.2L1319 W1322 A1323 H1326 F1333 V1334 I1350L1319-W1330 HydrophobicContact CD2-CH2 3.67Å; L1319-W1330 HydrophobicContact CD2-CZ3 3.53Å; W1322-W1330 HydrophobicContact CE3-CE3 4.01Å; W1322-W1330 HydrophobicContact CZ3-CB 4.45Å; W1322-W1330 AromaticContact CZ3-CE3 3.85Å; W1322-W1330 HydrophobicContact CZ3-CE3 3.85Å; A1323-W1330 HydrophobicContact CB-CB 4.43Å; A1323-W1330 HydrophobicContact CB-CD2 3.5Å; A1323-W1330 VanDerWaalsContact CB-CD2 3.5Å; A1323-W1330 HydrophobicContact CB-CE3 3.7Å; A1323-W1330 HydrophobicContact CB-CG 3.81Å; A1323-W1330 HydrophobicContact CB-CZ2 4.33Å; A1323-W1330 HydrophobicContact CB-CZ3 4.23Å; H1326-W1330 PolarHBondContact O-N 2.87Å; W1330-F1333 HydrophobicContact CE3-CD1 4.08Å; W1330-F1333 AromaticContact CZ3-CD1 3.99Å; W1330-F1333 HydrophobicContact CZ3-CD1 3.99Å; W1330-F1333 HydrophobicContact CZ3-CE1 4.14Å; W1330-F1333 PolarHBondContact O-N 3.31Å; W1330-V1334 HydrophobicContact CD2-CG2 4.11Å; W1330-V1334 HydrophobicContact CG-CG2 4.4Å; W1330-V1334 HydrophobicContact CZ2-CG2 3.98Å; W1330-V1334 WeakPolarHBondContact O-CB 3.37Å; W1330-V1334 VanDerWaalsContact O-CG2 3.3Å; W1330-V1334 WeakPolarHBondContact O-CG2 3.45Å; W1330-V1334 PolarHBondContact O-N 3.48Å; W1330-I1350 HydrophobicContact CZ2-CG2 4.44Å
1331A72.8Confident70.6Confident56 Ų5681.7 Ų81.746%0.46343%0.428SS..Hα-helixtrans-63.5-42.7176.200000112.5S1327 N1328 K1335S1327-A1331 WeakPolarHBondContact O-CB 3.18Å; S1327-A1331 PolarHBondContact O-N 3.09Å; N1328-A1331 PolarHBondContact O-N 3.49Å; A1331-K1335 VanDerWaalsContact O-CB 3.22Å; A1331-K1335 WeakPolarHBondContact O-CB 3.39Å; A1331-K1335 PolarHBondContact O-N 2.87Å
1332K74.4Confident69.2Low125 Ų12585.9 Ų85.954%0.54344%0.439SS..Hα-helixtrans-61.8-42.8172.7-72162.6179.1175.60111.7N1328 E1329 K1335 K1336N1328-K1332 WeakPolarHBondContact O-CG 3.46Å; N1328-K1332 PolarHBondContact O-N 3.46Å; E1329-K1332 PolarHBondContact O-N 2.92Å; E1329-K1332 WeakPolarHBondContact OE1-CD 3.49Å; E1329-K1332 IonicContact OE1-NZ 2.79Å; E1329-K1332 PolarHBondContact OE1-NZ 3.42Å; E1329-K1332 WeakPolarHBondContact OE2-CD 3.39Å; E1329-K1332 IonicContact OE2-NZ 3.52Å; K1332-K1335 PolarHBondContact O-N 3.27Å; K1332-K1336 WeakPolarHBondContact O-CB 3.36Å; K1332-K1336 PolarHBondContact O-N 2.74Å
1333F75.9Confident68Low15 Ų1585.4 Ų85.47%0.06644%0.438CS..Hα-helixtrans-65.9-46.9178.8176.2-107.4000111.8P1162 E1163 Y1166 E1329 W1330 K1335 K1336 L1337P1162-F1333 HydrophobicContact CB-CD2 3.98Å; P1162-F1333 HydrophobicContact CB-CE2 4.22Å; P1162-F1333 HydrophobicContact CB-CG 4.23Å; P1162-F1333 HydrophobicContact CG-CD2 4.2Å; E1163-F1333 HydrophobicContact CG-CE2 4.11Å; Y1166-F1333 HydrophobicContact CD1-CZ 4.15Å; Y1166-F1333 HydrophobicContact CD2-CE1 4.35Å; Y1166-F1333 HydrophobicContact CD2-CZ 4.16Å; Y1166-F1333 HydrophobicContact CG-CE1 4.32Å; Y1166-F1333 AromaticContact CG-CZ 3.7Å; Y1166-F1333 HydrophobicContact CG-CZ 3.7Å; E1329-F1333 WeakPolarHBondContact O-CB 3.29Å; E1329-F1333 PolarHBondContact O-N 2.73Å; W1330-F1333 HydrophobicContact CE3-CD1 4.08Å; W1330-F1333 AromaticContact CZ3-CD1 3.99Å; W1330-F1333 HydrophobicContact CZ3-CD1 3.99Å; W1330-F1333 HydrophobicContact CZ3-CE1 4.14Å; W1330-F1333 PolarHBondContact O-N 3.31Å; F1333-K1335 VanDerWaalsContact C-N 3.35Å; F1333-K1335 PolarHBondContact O-N 2.6Å; F1333-K1336 CarbonylContact O-C 3.46Å; F1333-K1336 WeakPolarHBondContact O-CB 3.39Å; F1333-K1336 PolarHBondContact O-N 3.26Å; F1333-L1337 HydrophobicContact CD1-CD1 4.05Å; F1333-L1337 HydrophobicContact CE1-CD1 3.4Å; F1333-L1337 VanDerWaalsContact CE1-CD1 3.4Å; F1333-L1337 HydrophobicContact CE1-CG 4.12Å; F1333-L1337 HydrophobicContact CE2-CD1 4.39Å; F1333-L1337 HydrophobicContact CE2-CG 4.29Å; F1333-L1337 HydrophobicContact CZ-CD1 3.58Å; F1333-L1337 HydrophobicContact CZ-CD2 4.28Å; F1333-L1337 HydrophobicContact CZ-CG 3.95Å; F1333-L1337 WeakPolarHBondContact O-CG 3.12Å; F1333-L1337 PolarHBondContact O-N 3.39Å
1334V75.9Confident66.5Low40 Ų4087 Ų8724%0.24245%0.451CS..Hα-helixtrans-64.2-37.7174.7171.80000111.2W1330 L1337 S1338 L1347W1330-V1334 HydrophobicContact CD2-CG2 4.11Å; W1330-V1334 HydrophobicContact CG-CG2 4.4Å; W1330-V1334 HydrophobicContact CZ2-CG2 3.98Å; W1330-V1334 WeakPolarHBondContact O-CB 3.37Å; W1330-V1334 VanDerWaalsContact O-CG2 3.3Å; W1330-V1334 WeakPolarHBondContact O-CG2 3.45Å; W1330-V1334 PolarHBondContact O-N 3.48Å; V1334-L1337 CarbonylContact O-C 3.13Å; V1334-L1337 PolarHBondContact O-N 3.01Å; V1334-S1338 WeakPolarHBondContact O-CB 3.36Å; V1334-S1338 PolarHBondContact O-N 2.86Å; V1334-S1338 PolarHBondContact O-OG 2.78Å; V1334-L1347 HydrophobicContact CG1-CD1 4.43Å; V1334-L1347 HydrophobicContact CG1-CD2 4.21Å; V1334-L1347 HydrophobicContact CG2-CD2 4.21Å
1335K71.4Confident65.2Low164 Ų16487 Ų8771%0.71345%0.453SS*.Hα-helixtrans-65.7-36.5172.9-172.6173-176.5174.30112.6A1331 K1332 F1333 S1338 S1339A1331-K1335 VanDerWaalsContact O-CB 3.22Å; A1331-K1335 WeakPolarHBondContact O-CB 3.39Å; A1331-K1335 PolarHBondContact O-N 2.87Å; K1332-K1335 PolarHBondContact O-N 3.27Å; F1333-K1335 VanDerWaalsContact C-N 3.35Å; F1333-K1335 PolarHBondContact O-N 2.6Å; K1335-S1338 PolarHBondContact O-OG 2.74Å; K1335-S1339 PolarHBondContact O-N 2.77Å
1336K67.4Low64.1Low124 Ų12483 Ų8354%0.53944%0.436SS..Hα-helixtrans-67-42171.7-165.9-177.1-174.9-174.50110.8E1163 K1332 F1333 S1339E1163-K1336 IonicContact OE1-NZ 2.66Å; E1163-K1336 PolarHBondContact OE1-NZ 3.42Å; K1332-K1336 WeakPolarHBondContact O-CB 3.36Å; K1332-K1336 PolarHBondContact O-N 2.74Å; F1333-K1336 CarbonylContact O-C 3.46Å; F1333-K1336 WeakPolarHBondContact O-CB 3.39Å; F1333-K1336 PolarHBondContact O-N 3.26Å; K1336-S1339 PolarHBondContact O-N 2.89Å; K1336-S1339 PolarHBondContact O-OG 3.46Å
1337L49.3Very low63Low21 Ų2181.7 Ų81.711%0.1143%0.431CS..Hα-helixtrans-65.7-43.1175.2-76.8-177.6000112.7Y1166 F1333 V1334 S1339 S1340 S1343 L1347Y1166-L1337 HydrophobicContact CD1-CD2 4.38Å; Y1166-L1337 HydrophobicContact CD2-CD1 4.36Å; Y1166-L1337 HydrophobicContact CE1-CD2 3.87Å; Y1166-L1337 HydrophobicContact CE2-CD1 4.06Å; F1333-L1337 HydrophobicContact CD1-CD1 4.05Å; F1333-L1337 HydrophobicContact CE1-CD1 3.4Å; F1333-L1337 VanDerWaalsContact CE1-CD1 3.4Å; F1333-L1337 HydrophobicContact CE1-CG 4.12Å; F1333-L1337 HydrophobicContact CE2-CD1 4.39Å; F1333-L1337 HydrophobicContact CE2-CG 4.29Å; F1333-L1337 HydrophobicContact CZ-CD1 3.58Å; F1333-L1337 HydrophobicContact CZ-CD2 4.28Å; F1333-L1337 HydrophobicContact CZ-CG 3.95Å; F1333-L1337 WeakPolarHBondContact O-CG 3.12Å; F1333-L1337 PolarHBondContact O-N 3.39Å; V1334-L1337 CarbonylContact O-C 3.13Å; V1334-L1337 PolarHBondContact O-N 3.01Å; L1337-S1339 PolarHBondContact O-N 3.06Å; L1337-S1340 CarbonylContact O-C 3.58Å; L1337-S1340 WeakPolarHBondContact O-CA 3.47Å; L1337-S1340 VanDerWaalsContact O-CB 3.3Å; L1337-S1340 WeakPolarHBondContact O-CB 3.49Å; L1337-S1340 PolarHBondContact O-N 3.41Å; L1337-S1343 WeakPolarHBondContact O-CB 3.44Å; L1337-S1343 PolarHBondContact O-OG 2.77Å; L1337-L1347 HydrophobicContact CB-CD1 4.07Å; L1337-L1347 HydrophobicContact CD1-CD2 4.06Å
1338S59.5Low62.2Low81 Ų8182 Ų8257%0.56643%0.43SS*.Hα-helixtrans-70.6-18-179.5610000113.5V1334 K1335 S1340V1334-S1338 WeakPolarHBondContact O-CB 3.36Å; V1334-S1338 PolarHBondContact O-N 2.86Å; V1334-S1338 PolarHBondContact O-OG 2.78Å; K1335-S1338 PolarHBondContact O-OG 2.74Å; S1338-S1340 PolarHBondContact O-N 3.39Å
1339S53.2Low61Low102 Ų10282 Ų8271%0.71343%0.426SS*.THydrogen-bonded Turntrans-69.7-11.916481.70000114K1335 K1336 L1337K1335-S1339 PolarHBondContact O-N 2.77Å; K1336-S1339 PolarHBondContact O-N 2.89Å; K1336-S1339 PolarHBondContact O-OG 3.46Å; L1337-S1339 PolarHBondContact O-N 3.06Å
1340S50.4Low60.3Low49 Ų4980.8 Ų80.834%0.34342%0.421SS..SBendtrans-105.5112.3174.3152.70000110.1L1337 S1338 R1342 S1343L1337-S1340 CarbonylContact O-C 3.58Å; L1337-S1340 WeakPolarHBondContact O-CA 3.47Å; L1337-S1340 VanDerWaalsContact O-CB 3.3Å; L1337-S1340 WeakPolarHBondContact O-CB 3.49Å; L1337-S1340 PolarHBondContact O-N 3.41Å; S1338-S1340 PolarHBondContact O-N 3.39Å; S1340-R1342 PolarHBondContact O-N 3.45Å; S1340-S1343 VanDerWaalsContact CB-OG 3.3Å; S1340-S1343 WeakPolarHBondContact CB-OG 3.14Å; S1340-S1343 WeakPolarHBondContact O-CB 3.21Å; S1340-S1343 PolarHBondContact O-N 2.9Å; S1340-S1343 PolarHBondContact O-OG 2.82Å; S1340-S1343 PolarHBondContact OG-OG 3.48Å
1341E46.2Very low59Low196 Ų19684.7 Ų84.792%0.91644%0.441SS*.THydrogen-bonded Turntrans-53.8-19.9176.9-163.8175.1-133.300113.7
1342R48.4Very low58.3Low199 Ų19986.8 Ų86.875%0.75145%0.445SS*.THydrogen-bonded Turntrans-85.1-6177.6-66.1-178.9177.4175.6-2114.8S1340S1340-R1342 PolarHBondContact O-N 3.45Å
1343S54.9Low57.2Low3 Ų383.7 Ų83.72%0.02144%0.436CS..SBendtrans-93.6-19.9-175.6-37.20000112.5L1337 S1340 D1345 V1346 L1347L1337-S1343 WeakPolarHBondContact O-CB 3.44Å; L1337-S1343 PolarHBondContact O-OG 2.77Å; S1340-S1343 VanDerWaalsContact CB-OG 3.3Å; S1340-S1343 WeakPolarHBondContact CB-OG 3.14Å; S1340-S1343 WeakPolarHBondContact O-CB 3.21Å; S1340-S1343 PolarHBondContact O-N 2.9Å; S1340-S1343 PolarHBondContact O-OG 2.82Å; S1340-S1343 PolarHBondContact OG-OG 3.48Å; S1343-D1345 PolarHBondContact O-N 3.31Å; S1343-V1346 PolarHBondContact O-N 2.79Å; S1343-V1346 VanDerWaalsContact O-N 3.17Å; S1343-L1347 WeakPolarHBondContact O-CB 3.45Å; S1343-L1347 WeakPolarHBondContact O-CG 3.23Å; S1343-L1347 PolarHBondContact O-N 3.16Å
1344A51.6Low56.1Low52 Ų5285.9 Ų85.943%0.4345%0.448SS..Hα-helixtrans-57-49.7-171.600000112.6V1346 L1347 T1348A1344-V1346 VanDerWaalsContact C-N 3.26Å; A1344-V1346 PolarHBondContact O-N 3.16Å; A1344-L1347 PolarHBondContact O-N 3.08Å; A1344-T1348 WeakPolarHBondContact O-CG2 3.22Å; A1344-T1348 PolarHBondContact O-N 3.01Å; A1344-T1348 PolarHBondContact O-OG1 3.02Å
1345D52.1Low55.3Low126 Ų12687 Ų8767%0.67446%0.458SS*.Hα-helixtrans-63.8-29.3-179.5-59.1-19.6000113.3S1343 T1348 Q1349S1343-D1345 PolarHBondContact O-N 3.31Å; D1345-T1348 WeakPolarHBondContact CA-OG1 3.16Å; D1345-T1348 PolarHBondContact O-OG1 2.77Å; D1345-T1348 VanDerWaalsContact O-OG1 3.06Å; D1345-Q1349 WeakPolarHBondContact O-CG 3.48Å; D1345-Q1349 PolarHBondContact O-N 3.16Å; D1345-Q1349 VanDerWaalsContact O-N 3.12Å
1346V51.6Low54.4Low37 Ų3785.5 Ų85.522%0.22445%0.451CS..Hα-helixtrans-85.2-35.5178.6-177.60000110.7Y1166 L1170 S1343 A1344 Q1349 I1350Y1166-V1346 HydrophobicContact CE2-CG1 3.82Å; L1170-V1346 HydrophobicContact CD2-CB 4.47Å; L1170-V1346 HydrophobicContact CD2-CG1 3.83Å; L1170-V1346 HydrophobicContact CD2-CG2 3.91Å; S1343-V1346 PolarHBondContact O-N 2.79Å; S1343-V1346 VanDerWaalsContact O-N 3.17Å; A1344-V1346 VanDerWaalsContact C-N 3.26Å; A1344-V1346 PolarHBondContact O-N 3.16Å; V1346-Q1349 PolarHBondContact O-N 3.37Å; V1346-I1350 HydrophobicContact CG1-CD1 4.07Å; V1346-I1350 WeakPolarHBondContact O-CB 3.41Å; V1346-I1350 VanDerWaalsContact O-CG1 3.3Å; V1346-I1350 WeakPolarHBondContact O-CG1 3.41Å; V1346-I1350 PolarHBondContact O-N 2.99Å
1347L58.2Low53.3Low22 Ų2284.4 Ų84.412%0.11545%0.452CS..Hα-helixtrans-64.1-40.5170.1-73.6172.5000110.7V1334 L1337 S1343 A1344 I1350 Q1351V1334-L1347 HydrophobicContact CG1-CD1 4.43Å; V1334-L1347 HydrophobicContact CG1-CD2 4.21Å; V1334-L1347 HydrophobicContact CG2-CD2 4.21Å; L1337-L1347 HydrophobicContact CB-CD1 4.07Å; L1337-L1347 HydrophobicContact CD1-CD2 4.06Å; S1343-L1347 WeakPolarHBondContact O-CB 3.45Å; S1343-L1347 WeakPolarHBondContact O-CG 3.23Å; S1343-L1347 PolarHBondContact O-N 3.16Å; A1344-L1347 PolarHBondContact O-N 3.08Å; L1347-I1350 PolarHBondContact O-N 3.21Å; L1347-Q1351 WeakPolarHBondContact O-CB 3.09Å; L1347-Q1351 PolarHBondContact O-N 2.79Å
1348T62.1Low52.9Low74 Ų7489.5 Ų89.545%0.45448%0.479SS..Hα-helixtrans-68.3-35.6173.556.80000112.2A1344 D1345 Q1351 L1352A1344-T1348 WeakPolarHBondContact O-CG2 3.22Å; A1344-T1348 PolarHBondContact O-N 3.01Å; A1344-T1348 PolarHBondContact O-OG1 3.02Å; D1345-T1348 WeakPolarHBondContact CA-OG1 3.16Å; D1345-T1348 PolarHBondContact O-OG1 2.77Å; D1345-T1348 VanDerWaalsContact O-OG1 3.06Å; T1348-Q1351 PolarHBondContact O-N 3.08Å; T1348-L1352 WeakPolarHBondContact O-CB 3.48Å; T1348-L1352 WeakPolarHBondContact O-CD1 3.5Å; T1348-L1352 WeakPolarHBondContact O-CG 3.48Å; T1348-L1352 PolarHBondContact O-N 2.82Å
1349Q52.6Low51.9Low120 Ų12089 Ų8956%0.56147%0.467SS*.Hα-helixtrans-60.5-49.9169.8-73.4-94.5-37.300112D1345 V1346 Q1351 L1352 T1353D1345-Q1349 WeakPolarHBondContact O-CG 3.48Å; D1345-Q1349 PolarHBondContact O-N 3.16Å; D1345-Q1349 VanDerWaalsContact O-N 3.12Å; V1346-Q1349 PolarHBondContact O-N 3.37Å; Q1349-Q1351 VanDerWaalsContact C-N 3.35Å; Q1349-Q1351 PolarHBondContact O-N 3.36Å; Q1349-L1352 PolarHBondContact O-N 3.23Å; Q1349-T1353 PolarHBondContact O-N 2.75Å; Q1349-T1353 PolarHBondContact O-OG1 2.95Å
1350I56.7Low51.5Low46 Ų4688.9 Ų88.924%0.23646%0.463CS..Hα-helixtrans-62-43.6177.5-69.6166.5000110.6Y1166 W1330 V1346 L1347 T1353 L1354Y1166-I1350 HydrophobicContact CE2-CD1 4.36Å; W1330-I1350 HydrophobicContact CZ2-CG2 4.44Å; V1346-I1350 HydrophobicContact CG1-CD1 4.07Å; V1346-I1350 WeakPolarHBondContact O-CB 3.41Å; V1346-I1350 VanDerWaalsContact O-CG1 3.3Å; V1346-I1350 WeakPolarHBondContact O-CG1 3.41Å; V1346-I1350 PolarHBondContact O-N 2.99Å; L1347-I1350 PolarHBondContact O-N 3.21Å; I1350-T1353 CarbonylContact O-C 3.57Å; I1350-T1353 WeakPolarHBondContact O-CB 3.33Å; I1350-T1353 PolarHBondContact O-N 3.38Å; I1350-T1353 VanDerWaalsContact O-N 3.15Å; I1350-L1354 HydrophobicContact CG2-CD1 4.01Å; I1350-L1354 HydrophobicContact CG2-CG 4.41Å; I1350-L1354 WeakPolarHBondContact O-CG 3.49Å; I1350-L1354 PolarHBondContact O-N 3.42Å
1351Q54.2Low51.3Low126 Ų12694.2 Ų94.259%0.58948%0.48SS*.Hα-helixtrans-71.3-32.2-178.6-166.3164-8.100112L1347 T1348 Q1349 L1354 S1355L1347-Q1351 WeakPolarHBondContact O-CB 3.09Å; L1347-Q1351 PolarHBondContact O-N 2.79Å; T1348-Q1351 PolarHBondContact O-N 3.08Å; Q1349-Q1351 VanDerWaalsContact C-N 3.35Å; Q1349-Q1351 PolarHBondContact O-N 3.36Å; Q1351-L1354 PolarHBondContact O-N 3.1Å; Q1351-S1355 WeakPolarHBondContact O-CB 3.37Å; Q1351-S1355 PolarHBondContact O-N 3.39Å; Q1351-S1355 PolarHBondContact O-OG 3.34Å; Q1351-S1355 VanDerWaalsContact O-OG 3.06Å
1352L57.9Low51.3Low101 Ų10188.2 Ų88.253%0.52946%0.463SS..Hα-helixtrans-66.1-37167.1-76.6166.7000112T1348 Q1349 K1356T1348-L1352 WeakPolarHBondContact O-CB 3.48Å; T1348-L1352 WeakPolarHBondContact O-CD1 3.5Å; T1348-L1352 WeakPolarHBondContact O-CG 3.48Å; T1348-L1352 PolarHBondContact O-N 2.82Å; Q1349-L1352 PolarHBondContact O-N 3.23Å; L1352-K1356 WeakPolarHBondContact O-CB 3.47Å; L1352-K1356 VanDerWaalsContact O-CG 3.27Å; L1352-K1356 WeakPolarHBondContact O-CG 3.22Å; L1352-K1356 PolarHBondContact O-N 2.73Å
1353T52.5Low51.2Low59 Ų5983.5 Ų83.536%0.36245%0.45SS..Hα-helixtrans-69.2-40.2173.6-650000111.7Q1349 I1350 K1356 N1357Q1349-T1353 PolarHBondContact O-N 2.75Å; Q1349-T1353 PolarHBondContact O-OG1 2.95Å; I1350-T1353 CarbonylContact O-C 3.57Å; I1350-T1353 WeakPolarHBondContact O-CB 3.33Å; I1350-T1353 PolarHBondContact O-N 3.38Å; I1350-T1353 VanDerWaalsContact O-N 3.15Å; T1353-K1356 PolarHBondContact O-N 3.26Å; T1353-N1357 WeakPolarHBondContact O-CB 3.23Å; T1353-N1357 VanDerWaalsContact O-CG 3.24Å; T1353-N1357 PolarHBondContact O-N 3.28Å; T1353-N1357 PolarHBondContact O-OD1 2.87Å
1354L51.1Low50.7Low61 Ų6187.8 Ų87.832%0.31947%0.472SS..Hα-helixtrans-64.4-42.4172.7-69170.1000111.2T1320 I1350 Q1351 K1356 N1357 N1358T1320-L1354 HydrophobicContact CG2-CD2 4.46Å; I1350-L1354 HydrophobicContact CG2-CD1 4.01Å; I1350-L1354 HydrophobicContact CG2-CG 4.41Å; I1350-L1354 WeakPolarHBondContact O-CG 3.49Å; I1350-L1354 PolarHBondContact O-N 3.42Å; Q1351-L1354 PolarHBondContact O-N 3.1Å; L1354-K1356 PolarHBondContact O-N 3.09Å; L1354-N1357 PolarHBondContact O-N 3.08Å; L1354-N1358 WeakPolarHBondContact O-CB 3.3Å; L1354-N1358 PolarHBondContact O-N 3.16Å; L1354-N1358 PolarHBondContact O-OD1 3.06Å
1355S60.2Low50.4Low65 Ų6591.2 Ų91.246%0.45548%0.48SS..Hα-helixtrans-60-42.5172-68.70000112.2Q1351 N1358 Q1359Q1351-S1355 WeakPolarHBondContact O-CB 3.37Å; Q1351-S1355 PolarHBondContact O-N 3.39Å; Q1351-S1355 PolarHBondContact O-OG 3.34Å; Q1351-S1355 VanDerWaalsContact O-OG 3.06Å; S1355-N1358 CarbonylContact O-C 3.57Å; S1355-N1358 PolarHBondContact O-N 3.26Å; S1355-Q1359 WeakPolarHBondContact O-CG 3.38Å; S1355-Q1359 PolarHBondContact O-N 2.84Å
1356K51.8Low50.1Low131 Ų13193.9 Ų93.957%0.5749%0.485SS*.Hα-helixtrans-66.1-33.7175.5-77.4174.4177.5-172.50113.6L1352 T1353 L1354L1352-K1356 WeakPolarHBondContact O-CB 3.47Å; L1352-K1356 VanDerWaalsContact O-CG 3.27Å; L1352-K1356 WeakPolarHBondContact O-CG 3.22Å; L1352-K1356 PolarHBondContact O-N 2.73Å; T1353-K1356 PolarHBondContact O-N 3.26Å; L1354-K1356 PolarHBondContact O-N 3.09Å
1357N44.8Very low49.4Very low102 Ų10297.8 Ų97.855%0.54550%0.501SS..Hα-helixtrans-75.3-27.2174.8-69-3.1000112.1T1353 L1354T1353-N1357 WeakPolarHBondContact O-CB 3.23Å; T1353-N1357 VanDerWaalsContact O-CG 3.24Å; T1353-N1357 PolarHBondContact O-N 3.28Å; T1353-N1357 PolarHBondContact O-OD1 2.87Å; L1354-N1357 PolarHBondContact O-N 3.08Å
1358N41.5Very low48.5Very low128 Ų128104.6 Ų104.668%0.68453%0.532SS*.Hα-helixtrans-84.5-16.1175.1-68.91.3000113.1L1354 S1355 T1360L1354-N1358 WeakPolarHBondContact O-CB 3.3Å; L1354-N1358 PolarHBondContact O-N 3.16Å; L1354-N1358 PolarHBondContact O-OD1 3.06Å; S1355-N1358 CarbonylContact O-C 3.57Å; S1355-N1358 PolarHBondContact O-N 3.26Å; N1358-T1360 PolarHBondContact O-N 3.46Å
1359Q37.9Very low47.5Very low70 Ų70109.1 Ų109.133%0.32755%0.548SS..SBendtrans-67.8114.8167.6-77.3-174.4-67.600109S1355 E1363S1355-Q1359 WeakPolarHBondContact O-CG 3.38Å; S1355-Q1359 PolarHBondContact O-N 2.84Å; Q1359-E1363 PolarHBondContact NE2-OE2 3.34Å
1360T45.5Very low46.9Very low100 Ų100108.6 Ų108.661%0.61355%0.553SS**  trans-61.3148.1-179.969.10000110.3N1358 A1362 E1363N1358-T1360 PolarHBondContact O-N 3.46Å; T1360-A1362 PolarHBondContact O-N 3.17Å; T1360-E1363 PolarHBondContact O-N 2.71Å
1361K46.1Very low45.7Very low160 Ų160113 Ų11370%0.69658%0.577SS**Hα-helixtrans-49.6-32.7-174.1-176.1-179.7170-1690114E1363 L1364 E1365K1361-E1363 VanDerWaalsContact C-N 3.26Å; K1361-E1363 PolarHBondContact O-N 3.22Å; K1361-L1364 PolarHBondContact O-N 3.37Å; K1361-E1365 WeakPolarHBondContact CE-OE1 3.49Å; K1361-E1365 IonicContact NZ-OE1 3.84Å; K1361-E1365 PolarHBondContact O-N 3.47Å
1362A46.6Very low44.8Very low70 Ų70116.1 Ų116.158%0.57959%0.588SS**Hα-helixtrans-62.8-24.8178.500000114.5T1360T1360-A1362 PolarHBondContact O-N 3.17Å
1363E45.8Very low43.4Very low100 Ų100118.8 Ų118.847%0.46760%0.603SS.*Hα-helixtrans-87-30.4-179.1-163.1165.4-123.300112.5Q1359 T1360 K1361 K1366 Q1367Q1359-E1363 PolarHBondContact NE2-OE2 3.34Å; T1360-E1363 PolarHBondContact O-N 2.71Å; K1361-E1363 VanDerWaalsContact C-N 3.26Å; K1361-E1363 PolarHBondContact O-N 3.22Å; E1363-K1366 PolarHBondContact O-N 2.8Å; E1363-Q1367 PolarHBondContact O-N 3.06Å
1364L44.6Very low42.4Very low94 Ų94124.3 Ų124.349%0.49263%0.63SS.*Hα-helixtrans-66.7-39.8173.2-76.4166.9000112.2K1361 K1366 Q1367K1361-L1364 PolarHBondContact O-N 3.37Å; L1364-K1366 PolarHBondContact O-N 3.32Å; L1364-Q1367 PolarHBondContact O-N 3.47Å
1365E45.4Very low41.4Very low124 Ų124129.8 Ų129.858%0.57966%0.658SS**Hα-helixtrans-64-28.5176-70.8174-178.800111.6K1361K1361-E1365 WeakPolarHBondContact CE-OE1 3.49Å; K1361-E1365 IonicContact NZ-OE1 3.84Å; K1361-E1365 PolarHBondContact O-N 3.47Å
1366K45.4Very low39.7Very low181 Ų181133.9 Ų133.979%0.78767%0.67SS**Hα-helixtrans-80.8-17.7-179.2-126.5177.6-174177.60115.4E1363 L1364E1363-K1366 PolarHBondContact O-N 2.8Å; L1364-K1366 PolarHBondContact O-N 3.32Å
1367Q37.3Very low38.9Very low119 Ų119133.2 Ų133.256%0.55668%0.682SS**Hα-helixtrans-99.2-5.3177.1-66.6-156.6-0.100114.1E1363 L1364 E1369 T1370E1363-Q1367 PolarHBondContact O-N 3.06Å; L1364-Q1367 PolarHBondContact O-N 3.47Å; Q1367-E1369 VanDerWaalsContact C-N 3.28Å; Q1367-E1369 PolarHBondContact O-N 3.43Å; Q1367-T1370 PolarHBondContact O-OG1 3.07Å
1368H38.7Very low38.3Very low165 Ų165136.4 Ų136.476%0.76469%0.691SS**THydrogen-bonded Turntrans-74.8-16.6-174.5-128.7-72.6000114.3
1369E40Very low37.7Very low169 Ų169136.9 Ų136.979%0.7969%0.694SS**THydrogen-bonded Turntrans-82-26.1-178.8-136.363.1-125.800114Q1367Q1367-E1369 VanDerWaalsContact C-N 3.28Å; Q1367-E1369 PolarHBondContact O-N 3.43Å
1370T41.3Very low37.5Very low109 Ų109139.1 Ų139.167%0.66971%0.714SS**SBendtrans-97.3-11.6-163.551.30000115.4Q1367Q1367-T1370 PolarHBondContact O-OG1 3.07Å
1371N32.2Very low36.8Very low138 Ų138141.9 Ų141.974%0.73872%0.724SS**  trans-102.729.4-169.7-95.2-46000115.5
1372K33.7Very low36Very low192 Ų192141.4 Ų141.484%0.83573%0.729SS**SBendtrans-89-9.9-178.2-149.6172.7-176178.50115.4
1373N29.7Very low35.1Very low158 Ų158146.6 Ų146.685%0.84574%0.735SS**SBendtrans-129.257.9-166.9-76.7-35000115.4
1374L31.8Very low34.4Very low174 Ų174146.5 Ų146.591%0.91175%0.745SS**  trans-154.765.7157.9-157.269.8000114.1
1375L28.5Very low34Very low176 Ų176150 Ų15092%0.92176%0.763SS**  trans-125.958.6175.6-166.172.4000112.7
1376E26Very low33.7Very low152 Ų152151 Ų15171%0.7177%0.766SS**  trans-14576.6164.9-139.1177.4-165.400114.8K1378E1376-K1378 IonicContact OE1-NZ 2.62Å; E1376-K1378 PolarHBondContact OE1-NZ 2.85Å
1377S34.8Very low33.1Very low116 Ų116148.2 Ų148.281%0.81176%0.764SS**  trans-128.8101.4154.950.40000109.8D1379S1377-D1379 VanDerWaalsContact C-N 3.34Å; S1377-D1379 PolarHBondContact O-N 2.91Å
1378K31.3Very low33Very low169 Ų169147.2 Ų147.274%0.73577%0.766SS**  trans-83.273-177.4-74.7165.2175.7145.30111.3E1376E1376-K1378 IonicContact OE1-NZ 2.62Å; E1376-K1378 PolarHBondContact OE1-NZ 2.85Å
1379D29.6Very low33.3Very low139 Ų139145 Ų14574%0.74376%0.764SS**SBendtrans-158.4122.2152.4-110.6-29.7000110.8S1377 I1381S1377-D1379 VanDerWaalsContact C-N 3.34Å; S1377-D1379 PolarHBondContact O-N 2.91Å; D1379-I1381 PolarHBondContact O-N 2.94Å
1380P33.6Very low33.6Very low117 Ų117147.3 Ų147.376%0.7677%0.767SS**  trans-69.9123-178.427.7-33.3000110.8N1382P1380-N1382 PolarHBondContact O-N 3.31Å
1381I31.1Very low34Very low158 Ų158146.8 Ų146.881%0.8176%0.761SS**  trans-72.268.2-176-51177.2000111.3D1379 Y1383D1379-I1381 PolarHBondContact O-N 2.94Å; I1381-Y1383 PolarHBondContact O-N 3.49Å
1382N29.4Very low35.1Very low150 Ų150148.6 Ų148.680%0.80277%0.767SS**THydrogen-bonded Turntrans-81.147.4174.8-167.60.7000111.2P1380P1380-N1382 PolarHBondContact O-N 3.31Å
1383Y27.5Very low37.6Very low179 Ų179148.3 Ų148.370%0.70276%0.76SS**THydrogen-bonded Turntrans-146.725.9-171.5-111.2-73.7000116.3I1381 K1386I1381-Y1383 PolarHBondContact O-N 3.49Å; Y1383-K1386 HydrophobicContact CE1-CD 4.26Å; Y1383-K1386 PolarHBondContact OH-NZ 3.42Å
1384S31Very low40.5Very low98 Ų98146.9 Ų146.969%0.68574%0.744SS**SBendtrans-139.146.5168.7-142.70000116.2
1385L36.9Very low43.5Very low167 Ų167141.4 Ų141.487%0.87472%0.718SS**  trans-125.742.6160.3-78.1176.1000111.2
1386K37.2Very low46.7Very low145 Ų145136.1 Ų136.163%0.6370%0.695SS**  trans-106.214.3-175.1-135.6169.1-171169.90113.9Y1383Y1383-K1386 HydrophobicContact CE1-CD 4.26Å; Y1383-K1386 PolarHBondContact OH-NZ 3.42Å
1387T33.9Very low50.1Low123 Ų123128.9 Ų128.976%0.75566%0.661SS**  trans-108.810.5-170.641.90000114.8
1388T35.2Very low52.9Low98 Ų98128 Ų12860%0.60165%0.654SS**  trans-110.247.4172.750.90000112.9Y1390T1388-Y1390 PolarHBondContact O-N 2.89Å
1389T43.9Very low55.9Low117 Ų117124.2 Ų124.272%0.71865%0.645SS**  trans-72.983.1171.147.80000111.4
1390Y46.9Very low59.1Low218 Ų218119.6 Ų119.686%0.85562%0.623SS**SBendtrans-170.1137.5137.9-97-61.9000113.1T1388T1388-Y1390 PolarHBondContact O-N 2.89Å
1391D50Low61.9Low99 Ų99120.1 Ų120.153%0.52962%0.619SS.*  trans57.740.5175.6-142.738.2000119.6R1393D1391-R1393 PolarHBondContact O-N 3.07Å; D1391-R1393 WeakPolarHBondContact OD1-CB 3.39Å; D1391-R1393 WeakPolarHBondContact OD1-CD 3.48Å
1392M56.1Low65Low176 Ų176115.9 Ų115.987%0.86760%0.596SS**THydrogen-bonded Turntrans-6130.2160-78.8-78.8-78.200114.7
1393R84.9Confident68.1Low186 Ų186116.9 Ų116.970%0.70259%0.588SS**THydrogen-bonded Turntrans-89.6-13.1-177-85.8-174.7165.8158.60.5115D1391D1391-R1393 PolarHBondContact O-N 3.07Å; D1391-R1393 WeakPolarHBondContact OD1-CB 3.39Å; D1391-R1393 WeakPolarHBondContact OD1-CD 3.48Å
1394Y90.8Very high71.4Confident127 Ų127110.3 Ų110.350%0.49856%0.563SS.*  trans-135138.2-172.8-58.2-82.5000110.8F1404Y1394-F1404 CarbonylContact C-O 3.58Å; Y1394-F1404 VanDerWaalsContact CA-O 3.3Å; Y1394-F1404 WeakPolarHBondContact CA-O 3.38Å
1395V94.5Very high74.5Confident59 Ų59108.4 Ų108.436%0.35856%0.559SS.*EExtended strand (participates in β ladder)trans-112.5129.7168.8-156.30000108.4F1404 L1410V1395-F1404 PolarHBondContact N-O 3.01Å; V1395-F1404 PolarHBondContact O-N 3.24Å; V1395-L1410 HydrophobicContact CB-CD2 3.85Å; V1395-L1410 HydrophobicContact CG1-CD2 3.5Å
1396S96.2Very high77.3Confident65 Ų65102.2 Ų102.246%0.45553%0.53SS..EExtended strand (participates in β ladder)trans-91.2151-178.9400000112.7H1402 L1410S1396-H1402 CarbonylContact C-O 3.56Å; S1396-H1402 VanDerWaalsContact CA-O 3.3Å; S1396-H1402 WeakPolarHBondContact CA-O 3.41Å; S1396-L1410 VanDerWaalsContact O-CD2 3.31Å; S1396-L1410 WeakPolarHBondContact O-CD2 3.4Å
1397C96.7Very high80Confident0 Ų0101 Ų1010%053%0.526CS..  trans-73131.9164.2179.10000110.5V1399 C1400 L1401 H1402 F1404 L1410 H1413 M1414C1397-V1399 VanDerWaalsContact C-N 3.27Å; C1397-V1399 PolarHBondContact O-N 3.26Å; C1397-V1399 PolarHBondContact SG-N 3.07Å; C1397-C1400 PolarHBondContact SG-N 3.48Å; C1397-L1401 WeakPolarHBondContact O-CA 3.44Å; C1397-L1401 PolarHBondContact O-N 2.81Å; C1397-H1402 PolarHBondContact N-O 3.34Å; C1397-F1404 HydrophobicContact CB-CE2 4.18Å; C1397-L1410 HydrophobicContact CB-CD1 3.83Å; C1397-H1413 WeakPolarHBondContact CB-NE2 3.43Å; C1397-H1413 PolarHBondContact SG-NE2 2.98Å; C1397-M1414 HydrophobicContact CB-SD 4.41Å; C1397-M1414 PolarHBondContact SG-SD 3.48Å
1398C94.6Very high83Confident98 Ų98102 Ų10266%0.66252%0.523SS*.THydrogen-bonded Turntrans-68.9-21.3173.351.40000114.1
1399V94.7Very high85.8Confident89 Ų8999.9 Ų99.954%0.53951%0.508SS..THydrogen-bonded Turntrans-93.9-32.5-174.9-170.20000113.1C1397 M1414 H1417C1397-V1399 VanDerWaalsContact C-N 3.27Å; C1397-V1399 PolarHBondContact O-N 3.26Å; C1397-V1399 PolarHBondContact SG-N 3.07Å; V1399-M1414 HydrophobicContact CG2-CE 4.16Å; V1399-H1417 WeakPolarHBondContact CG1-ND1 3.41Å; V1399-H1417 HydrophobicContact CG2-CB 4.48Å
1400C96.2Very high88.4Confident42 Ų4295 Ų9528%0.28448%0.477SS..THydrogen-bonded Turntrans-130.97.4-179.872.50000115.1C1397 H1402 H1413 H1417C1397-C1400 PolarHBondContact SG-N 3.48Å; C1400-H1402 PolarHBondContact O-N 2.98Å; C1400-H1413 PolarHBondContact SG-CE1 3.15Å; C1400-H1413 PolarHBondContact SG-NE2 3.44Å; C1400-H1417 PolarHBondContact SG-NE2 2.85Å
1401L92.2Very high90.7Very high128 Ų12890.1 Ų90.167%0.6746%0.462SS*.  trans59.4-2.6176.7-53.3179.5000116.7C1397 R1403C1397-L1401 WeakPolarHBondContact O-CA 3.44Å; C1397-L1401 PolarHBondContact O-N 2.81Å; L1401-R1403 PolarHBondContact O-N 2.84Å
1402H95.6Very high93Very high70 Ų7090.2 Ų90.232%0.32446%0.455SS..  trans-53.7132.9173.7-75.8-20.2000111.8S1396 C1397 C1400 F1404S1396-H1402 CarbonylContact C-O 3.56Å; S1396-H1402 VanDerWaalsContact CA-O 3.3Å; S1396-H1402 WeakPolarHBondContact CA-O 3.41Å; C1397-H1402 PolarHBondContact N-O 3.34Å; C1400-H1402 PolarHBondContact O-N 2.98Å; H1402-F1404 HydrophobicContact CB-CE2 3.76Å; H1402-F1404 HydrophobicContact CB-CZ 3.83Å; H1402-F1404 VanDerWaalsContact O-CD2 3.29Å; H1402-F1404 WeakPolarHBondContact O-CD2 3.38Å; H1402-F1404 WeakPolarHBondContact O-CE2 3.47Å
1403R95.4Very high94.9Very high171 Ų17182.9 Ų82.965%0.64542%0.418SS*.EExtended strand (participates in β ladder)trans-94.9128.8-177.2-64.2-173.3-172.7-164.34.2111.3L1401L1401-R1403 PolarHBondContact O-N 2.84Å
1404F96.3Very high95.4Very high40 Ų4076.2 Ų76.218%0.17540%0.396CS..EExtended strand (participates in β ladder)trans-115.5135.1-179-61.7-84.7000110.9Y1394 V1395 C1397 H1402 S1406 D1409 L1410 H1413Y1394-F1404 CarbonylContact C-O 3.58Å; Y1394-F1404 VanDerWaalsContact CA-O 3.3Å; Y1394-F1404 WeakPolarHBondContact CA-O 3.38Å; V1395-F1404 PolarHBondContact N-O 3.01Å; V1395-F1404 PolarHBondContact O-N 3.24Å; C1397-F1404 HydrophobicContact CB-CE2 4.18Å; H1402-F1404 HydrophobicContact CB-CE2 3.76Å; H1402-F1404 HydrophobicContact CB-CZ 3.83Å; H1402-F1404 VanDerWaalsContact O-CD2 3.29Å; H1402-F1404 WeakPolarHBondContact O-CD2 3.38Å; H1402-F1404 WeakPolarHBondContact O-CE2 3.47Å; F1404-S1406 PolarHBondContact O-N 2.92Å; F1404-S1406 VanDerWaalsContact O-N 3.12Å; F1404-D1409 HydrophobicContact CB-CB 4.12Å; F1404-D1409 HydrophobicContact CD1-CB 4.02Å; F1404-D1409 HydrophobicContact CG-CB 4.43Å; F1404-L1410 HydrophobicContact CB-CB 4.1Å; F1404-L1410 HydrophobicContact CD2-CB 3.93Å; F1404-L1410 HydrophobicContact CD2-CD1 3.87Å; F1404-L1410 HydrophobicContact CD2-CG 4.46Å; F1404-L1410 HydrophobicContact CE2-CD1 4.08Å; F1404-L1410 HydrophobicContact CG-CB 4.12Å; F1404-H1413 HydrophobicContact CE1-CB 3.71Å; F1404-H1413 AromaticContact CE1-CG 3.96Å; F1404-H1413 HydrophobicContact CE2-CB 4.14Å; F1404-H1413 AromaticContact CE2-CD2 3.21Å; F1404-H1413 WeakPolarHBondContact CE2-CD2 3.46Å; F1404-H1413 AromaticContact CE2-CG 3.77Å; F1404-H1413 AromaticContact CE2-NE2 3.9Å; F1404-H1413 HydrophobicContact CZ-CB 3.51Å; F1404-H1413 AromaticContact CZ-CD2 3.18Å; F1404-H1413 WeakPolarHBondContact CZ-CD2 3.48Å; F1404-H1413 AromaticContact CZ-CG 3.24Å; F1404-H1413 AromaticContact CZ-ND1 3.97Å; F1404-H1413 AromaticContact CZ-NE2 3.86Å
1405G96.2Very high95.7Very high58 Ų5872.3 Ų72.360%0.59838%0.38SS*.SBendtrans-71.93.217800000115.1
1406S95.2Very high95.8Very high37 Ų3772.4 Ų72.426%0.25938%0.383SS..SBendtrans-156.3152.5170.386.90000111.8F1404 Q1408 D1409 L1410F1404-S1406 PolarHBondContact O-N 2.92Å; F1404-S1406 VanDerWaalsContact O-N 3.12Å; S1406-Q1408 PolarHBondContact O-N 3.42Å; S1406-Q1408 PolarHBondContact OG-N 3.2Å; S1406-D1409 WeakPolarHBondContact CB-OD2 3.08Å; S1406-D1409 PolarHBondContact O-N 3.46Å; S1406-D1409 VanDerWaalsContact O-N 3.17Å; S1406-D1409 VanDerWaalsContact OG-CG 3.31Å; S1406-D1409 PolarHBondContact OG-N 2.84Å; S1406-D1409 PolarHBondContact OG-OD2 3.01Å; S1406-L1410 PolarHBondContact O-N 2.65Å; S1406-L1410 VanDerWaalsContact O-N 3.09Å
1407Q95.4Very high95.8Very high119 Ų11972.7 Ų72.756%0.55638%0.377SS*.Hα-helixtrans-60-28.4172.3-174.664.5-400112.6Q1411Q1407-Q1411 WeakPolarHBondContact O-CB 3.44Å; Q1407-Q1411 PolarHBondContact O-N 2.92Å
1408Q95.1Very high95.7Very high145 Ų14576.4 Ų76.468%0.67840%0.4SS*.Hα-helixtrans-74.2-32.3178.2-62.7-176.24.600112.3S1406 R1412S1406-Q1408 PolarHBondContact O-N 3.42Å; S1406-Q1408 PolarHBondContact OG-N 3.2Å; Q1408-R1412 WeakPolarHBondContact O-CB 3.12Å; Q1408-R1412 PolarHBondContact O-N 3.18Å
1409D95.9Very high95.7Very high54 Ų5474.1 Ų74.129%0.28939%0.393SS..Hα-helixtrans-74.7-37.8173.7-62.6-61.9000110.8F1404 S1406 R1412 H1413F1404-D1409 HydrophobicContact CB-CB 4.12Å; F1404-D1409 HydrophobicContact CD1-CB 4.02Å; F1404-D1409 HydrophobicContact CG-CB 4.43Å; S1406-D1409 WeakPolarHBondContact CB-OD2 3.08Å; S1406-D1409 PolarHBondContact O-N 3.46Å; S1406-D1409 VanDerWaalsContact O-N 3.17Å; S1406-D1409 VanDerWaalsContact OG-CG 3.31Å; S1406-D1409 PolarHBondContact OG-N 2.84Å; S1406-D1409 PolarHBondContact OG-OD2 3.01Å; D1409-R1412 WeakPolarHBondContact O-CB 3.33Å; D1409-R1412 PolarHBondContact O-N 3.37Å; D1409-R1412 IonicContact OD1-CZ 2.66Å; D1409-R1412 IonicContact OD1-NH1 3.03Å; D1409-R1412 PolarHBondContact OD1-NH1 3.04Å; D1409-R1412 IonicContact OD1-NH2 3.24Å; D1409-R1412 PolarHBondContact OD1-NH2 2.8Å; D1409-H1413 WeakPolarHBondContact O-CB 3.49Å; D1409-H1413 PolarHBondContact O-N 3.35Å
1410L97Very high95.8Very high14 Ų1474 Ų747%0.07339%0.387CS..Hα-helixtrans-60.1-54.9169.6172.154.7000111.4V1395 S1396 C1397 F1404 S1406 R1412 H1413 M1414V1395-L1410 HydrophobicContact CB-CD2 3.85Å; V1395-L1410 HydrophobicContact CG1-CD2 3.5Å; S1396-L1410 VanDerWaalsContact O-CD2 3.31Å; S1396-L1410 WeakPolarHBondContact O-CD2 3.4Å; C1397-L1410 HydrophobicContact CB-CD1 3.83Å; F1404-L1410 HydrophobicContact CB-CB 4.1Å; F1404-L1410 HydrophobicContact CD2-CB 3.93Å; F1404-L1410 HydrophobicContact CD2-CD1 3.87Å; F1404-L1410 HydrophobicContact CD2-CG 4.46Å; F1404-L1410 HydrophobicContact CE2-CD1 4.08Å; F1404-L1410 HydrophobicContact CG-CB 4.12Å; S1406-L1410 PolarHBondContact O-N 2.65Å; S1406-L1410 VanDerWaalsContact O-N 3.09Å; L1410-R1412 PolarHBondContact O-N 2.96Å; L1410-H1413 CarbonylContact O-C 3.55Å; L1410-H1413 WeakPolarHBondContact O-CA 3.41Å; L1410-H1413 WeakPolarHBondContact O-CB 3.43Å; L1410-H1413 PolarHBondContact O-N 2.98Å; L1410-M1414 HydrophobicContact CD1-CG 3.97Å; L1410-M1414 HydrophobicContact CD1-SD 3.91Å; L1410-M1414 HydrophobicContact CG-CG 4.39Å; L1410-M1414 WeakPolarHBondContact O-CG 3.18Å; L1410-M1414 PolarHBondContact O-N 3.3Å
1411Q96Very high95.8Very high116 Ų11678.1 Ų78.154%0.54240%0.396SS..Hα-helixtrans-59.2-33.4178.6-165.9-163.534.200112Q1407Q1407-Q1411 WeakPolarHBondContact O-CB 3.44Å; Q1407-Q1411 PolarHBondContact O-N 2.92Å
1412R97Very high95.9Very high101 Ų10175.5 Ų75.538%0.38139%0.387SS..Hα-helixtrans-64.7-41.1173.2-171.7-171.8-51.9133.423.1112Q1408 D1409 L1410 L1434Q1408-R1412 WeakPolarHBondContact O-CB 3.12Å; Q1408-R1412 PolarHBondContact O-N 3.18Å; D1409-R1412 WeakPolarHBondContact O-CB 3.33Å; D1409-R1412 PolarHBondContact O-N 3.37Å; D1409-R1412 IonicContact OD1-CZ 2.66Å; D1409-R1412 IonicContact OD1-NH1 3.03Å; D1409-R1412 PolarHBondContact OD1-NH1 3.04Å; D1409-R1412 IonicContact OD1-NH2 3.24Å; D1409-R1412 PolarHBondContact OD1-NH2 2.8Å; L1410-R1412 PolarHBondContact O-N 2.96Å; R1412-L1434 HydrophobicContact CG-CD2 3.21Å
1413H96.4Very high96Very high21 Ų2174.9 Ų74.910%0.09738%0.383CS..Hα-helixtrans-73.3-34.9176.8157.563.3000112.9C1397 C1400 F1404 D1409 L1410 R1415 S1416 H1417C1397-H1413 WeakPolarHBondContact CB-NE2 3.43Å; C1397-H1413 PolarHBondContact SG-NE2 2.98Å; C1400-H1413 PolarHBondContact SG-CE1 3.15Å; C1400-H1413 PolarHBondContact SG-NE2 3.44Å; F1404-H1413 HydrophobicContact CE1-CB 3.71Å; F1404-H1413 AromaticContact CE1-CG 3.96Å; F1404-H1413 HydrophobicContact CE2-CB 4.14Å; F1404-H1413 AromaticContact CE2-CD2 3.21Å; F1404-H1413 WeakPolarHBondContact CE2-CD2 3.46Å; F1404-H1413 AromaticContact CE2-CG 3.77Å; F1404-H1413 AromaticContact CE2-NE2 3.9Å; F1404-H1413 HydrophobicContact CZ-CB 3.51Å; F1404-H1413 AromaticContact CZ-CD2 3.18Å; F1404-H1413 WeakPolarHBondContact CZ-CD2 3.48Å; F1404-H1413 AromaticContact CZ-CG 3.24Å; F1404-H1413 AromaticContact CZ-ND1 3.97Å; F1404-H1413 AromaticContact CZ-NE2 3.86Å; D1409-H1413 WeakPolarHBondContact O-CB 3.49Å; D1409-H1413 PolarHBondContact O-N 3.35Å; L1410-H1413 CarbonylContact O-C 3.55Å; L1410-H1413 WeakPolarHBondContact O-CA 3.41Å; L1410-H1413 WeakPolarHBondContact O-CB 3.43Å; L1410-H1413 PolarHBondContact O-N 2.98Å; H1413-R1415 PolarHBondContact O-N 3.37Å; H1413-S1416 PolarHBondContact ND1-OG 3.33Å; H1413-S1416 PolarHBondContact O-N 3.24Å; H1413-S1416 PolarHBondContact O-OG 3.48Å; H1413-H1417 AromaticContact CE1-CD2 3.58Å; H1413-H1417 AromaticContact CE1-NE2 3.2Å; H1413-H1417 PolarHBondContact CE1-NE2 3.44Å; H1413-H1417 AromaticContact NE2-CD2 3.63Å; H1413-H1417 AromaticContact NE2-NE2 3.39Å; H1413-H1417 PolarHBondContact NE2-NE2 3.34Å
1414M96.7Very high96.1Very high46 Ų4670.4 Ų70.423%0.22738%0.375CS..Hα-helixtrans-54.6-26.8177.1-69.8-54.9-6500112.9C1397 V1399 L1410 S1416 H1417 T1418C1397-M1414 HydrophobicContact CB-SD 4.41Å; C1397-M1414 PolarHBondContact SG-SD 3.48Å; V1399-M1414 HydrophobicContact CG2-CE 4.16Å; L1410-M1414 HydrophobicContact CD1-CG 3.97Å; L1410-M1414 HydrophobicContact CD1-SD 3.91Å; L1410-M1414 HydrophobicContact CG-CG 4.39Å; L1410-M1414 WeakPolarHBondContact O-CG 3.18Å; L1410-M1414 PolarHBondContact O-N 3.3Å; M1414-S1416 PolarHBondContact O-N 2.85Å; M1414-H1417 WeakPolarHBondContact O-CA 3.3Å; M1414-H1417 WeakPolarHBondContact O-CB 3.49Å; M1414-H1417 PolarHBondContact O-N 3.21Å; M1414-T1418 PolarHBondContact O-N 3.34Å; M1414-T1418 PolarHBondContact O-OG1 2.77Å
1415R96.5Very high96.2Very high46 Ų4668.5 Ų68.517%0.17437%0.366CS..Hα-helixtrans-64.6-15.4172.7-57.9-164.2-178.789.99.4115.2H1413 H1417 G1419 E1420H1413-R1415 PolarHBondContact O-N 3.37Å; R1415-H1417 VanDerWaalsContact C-N 3.34Å; R1415-G1419 CarbonylContact O-C 3.53Å; R1415-G1419 WeakPolarHBondContact O-CA 3.38Å; R1415-G1419 PolarHBondContact O-N 2.62Å; R1415-G1419 VanDerWaalsContact O-N 3.14Å; R1415-E1420 HydrophobicContact CB-CB 4.13Å; R1415-E1420 HydrophobicContact CG-CB 3.92Å; R1415-E1420 IonicContact NE-OE2 2.66Å; R1415-E1420 PolarHBondContact NE-OE2 3.19Å
1416S95.7Very high96.2Very high60 Ų6070.8 Ų70.842%0.4237%0.371SS..Hα-helixtrans-80.3-15.9167.564.20000113.1H1413 M1414H1413-S1416 PolarHBondContact ND1-OG 3.33Å; H1413-S1416 PolarHBondContact O-N 3.24Å; H1413-S1416 PolarHBondContact O-OG 3.48Å; M1414-S1416 PolarHBondContact O-N 2.85Å
1417H96.3Very high96.1Very high71 Ų7174.7 Ų74.733%0.32939%0.385SS..Hα-helixtrans-96.6-44.3173.2-66.9-67.8000112V1399 C1400 H1413 M1414 R1415 G1419V1399-H1417 WeakPolarHBondContact CG1-ND1 3.41Å; V1399-H1417 HydrophobicContact CG2-CB 4.48Å; C1400-H1417 PolarHBondContact SG-NE2 2.85Å; H1413-H1417 AromaticContact CE1-CD2 3.58Å; H1413-H1417 AromaticContact CE1-NE2 3.2Å; H1413-H1417 PolarHBondContact CE1-NE2 3.44Å; H1413-H1417 AromaticContact NE2-CD2 3.63Å; H1413-H1417 AromaticContact NE2-NE2 3.39Å; H1413-H1417 PolarHBondContact NE2-NE2 3.34Å; M1414-H1417 WeakPolarHBondContact O-CA 3.3Å; M1414-H1417 WeakPolarHBondContact O-CB 3.49Å; M1414-H1417 PolarHBondContact O-N 3.21Å; R1415-H1417 VanDerWaalsContact C-N 3.34Å; H1417-G1419 VanDerWaalsContact C-N 3.28Å; H1417-G1419 PolarHBondContact O-N 3.22Å
1418T95.6Very high96.2Very high79 Ų7971.3 Ų71.349%0.48537%0.373SS..Hα-helixtrans-76.2-15.2175.964.10000113.3M1414 E1420M1414-T1418 PolarHBondContact O-N 3.34Å; M1414-T1418 PolarHBondContact O-OG1 2.77Å; T1418-E1420 WeakPolarHBondContact CB-OE1 3.41Å; T1418-E1420 PolarHBondContact O-N 3.39Å; T1418-E1420 VanDerWaalsContact OG1-CD 3.28Å; T1418-E1420 WeakPolarHBondContact OG1-CG 3.49Å; T1418-E1420 PolarHBondContact OG1-OE1 3.39Å
1419G95Very high96.2Very high49 Ų4966.7 Ų66.751%0.50537%0.365SS..  trans74.70.4-178.100000115.1R1415 H1417 R1421R1415-G1419 CarbonylContact O-C 3.53Å; R1415-G1419 WeakPolarHBondContact O-CA 3.38Å; R1415-G1419 PolarHBondContact O-N 2.62Å; R1415-G1419 VanDerWaalsContact O-N 3.14Å; H1417-G1419 VanDerWaalsContact C-N 3.28Å; H1417-G1419 PolarHBondContact O-N 3.22Å; G1419-R1421 WeakPolarHBondContact O-CG 3.36Å
1420E96.1Very high96.2Very high88 Ų8870 Ų7041%0.41138%0.377SS..  trans-50.9131.7-177-84.2166.8-118.100114.8R1415 T1418 P1422 S1433R1415-E1420 HydrophobicContact CB-CB 4.13Å; R1415-E1420 HydrophobicContact CG-CB 3.92Å; R1415-E1420 IonicContact NE-OE2 2.66Å; R1415-E1420 PolarHBondContact NE-OE2 3.19Å; T1418-E1420 WeakPolarHBondContact CB-OE1 3.41Å; T1418-E1420 PolarHBondContact O-N 3.39Å; T1418-E1420 VanDerWaalsContact OG1-CD 3.28Å; T1418-E1420 WeakPolarHBondContact OG1-CG 3.49Å; T1418-E1420 PolarHBondContact OG1-OE1 3.39Å; E1420-P1422 VanDerWaalsContact C-CD 3.4Å; E1420-S1433 WeakPolarHBondContact O-CA 3.38Å; E1420-S1433 VanDerWaalsContact O-CB 3.24Å; E1420-S1433 WeakPolarHBondContact O-CB 3.24Å
1421R96.6Very high96.2Very high127 Ų12774.3 Ų74.348%0.47940%0.397SS..  trans-125.848.4-178.7-45.1-17370.197.6-4.4114.7G1419 F1423 E1431 F1432G1419-R1421 WeakPolarHBondContact O-CG 3.36Å; R1421-F1423 PolarHBondContact O-N 2.8Å; R1421-E1431 HydrophobicContact CB-CB 3.53Å; R1421-E1431 HydrophobicContact CG-CB 4.41Å; R1421-E1431 PolarHBondContact NE-O 3.35Å; R1421-E1431 PolarHBondContact NH2-O 3.39Å; R1421-F1432 CarbonylContact C-O 3.54Å; R1421-F1432 WeakPolarHBondContact CA-O 3.35Å
1422P94.7Very high96.3Very high73 Ų7370.7 Ų70.747%0.47438%0.379SS..BIsolated β-bridgetrans-66.51.7-165.428.4-38.1000116.6E1420E1420-P1422 VanDerWaalsContact C-CD 3.4Å
1423F97.7Very high96.3Very high57 Ų5767.7 Ų67.725%0.2537%0.374CS..EExtended strand (participates in β ladder)trans-112.188.2178.8-54.7-75.8000111.1R1421 F1432 S1433 K1435 M1438R1421-F1423 PolarHBondContact O-N 2.8Å; F1423-F1432 HydrophobicContact CB-CB 4.48Å; F1423-F1432 WeakPolarHBondContact CB-O 3.28Å; F1423-F1432 WeakPolarHBondContact CD2-O 3.27Å; F1423-F1432 PolarHBondContact N-O 3.16Å; F1423-F1432 WeakPolarHBondContact O-CD2 3.2Å; F1423-F1432 PolarHBondContact O-N 3.13Å; F1423-S1433 WeakPolarHBondContact CE2-O 3.32Å; F1423-K1435 HydrophobicContact CD1-CB 3.69Å; F1423-K1435 HydrophobicContact CD1-CG 4.01Å; F1423-K1435 HydrophobicContact CD2-CB 4.34Å; F1423-K1435 HydrophobicContact CE1-CB 3.63Å; F1423-K1435 HydrophobicContact CE1-CD 4.24Å; F1423-K1435 HydrophobicContact CE1-CG 4.1Å; F1423-K1435 HydrophobicContact CE2-CB 4.28Å; F1423-K1435 HydrophobicContact CG-CB 4.05Å; F1423-K1435 HydrophobicContact CZ-CB 3.93Å; F1423-M1438 HydrophobicContact CB-CB 3.91Å; F1423-M1438 HydrophobicContact CB-CG 4.4Å
1424V97.7Very high96.3Very high77 Ų7767.7 Ų67.747%0.46737%0.374SS..EExtended strand (participates in β ladder)trans-73.9139.4174.3-168.80000110.6G1429 E1431V1424-G1429 WeakPolarHBondContact CG1-O 3.34Å; V1424-E1431 HydrophobicContact CG2-CG 4.4Å
1425C97.5Very high96.3Very high0 Ų071.6 Ų71.60%039%0.39CS..  trans-84.8119.9172.6179.60000110.9H1427 C1428 G1429 K1430 F1432 M1438 H1441C1425-H1427 VanDerWaalsContact C-N 3.28Å; C1425-H1427 PolarHBondContact O-N 3.48Å; C1425-C1428 PolarHBondContact O-N 2.81Å; C1425-G1429 PolarHBondContact O-N 3.15Å; C1425-K1430 WeakPolarHBondContact CB-O 3.42Å; C1425-K1430 PolarHBondContact N-O 3.48Å; C1425-F1432 HydrophobicContact CB-CE2 4.14Å; C1425-M1438 HydrophobicContact CB-CG 4.05Å; C1425-H1441 VanDerWaalsContact SG-CD2 3.57Å
1426P95.1Very high96.3Very high106 Ų10674.7 Ų74.769%0.68841%0.406SS*.THydrogen-bonded Turntrans-62.2-31.6-172.124.1-34.4000113.7C1428P1426-C1428 VanDerWaalsContact C-N 3.35Å; P1426-C1428 PolarHBondContact O-N 2.97Å
1427H94.6Very high96.4Very high119 Ų11972.8 Ų72.855%0.55139%0.393SS*.THydrogen-bonded Turntrans-78.2-8.3-177.6-54-67.3000115.4C1425 H1445C1425-H1427 VanDerWaalsContact C-N 3.28Å; C1425-H1427 PolarHBondContact O-N 3.48Å; H1427-H1445 HydrophobicContact CB-CB 4.08Å; H1427-H1445 AromaticContact CD2-CD2 3.94Å
1428C96.2Very high96.4Very high48 Ų4870.6 Ų70.632%0.32438%0.383SS..THydrogen-bonded Turntrans-160.49.3-173.3680000116.4C1425 P1426 K1430 H1441 H1445C1425-C1428 PolarHBondContact O-N 2.81Å; P1426-C1428 VanDerWaalsContact C-N 3.35Å; P1426-C1428 PolarHBondContact O-N 2.97Å; C1428-K1430 PolarHBondContact O-N 3.27Å; C1428-H1441 PolarHBondContact SG-NE2 2.82Å; C1428-H1445 PolarHBondContact SG-NE2 3.31Å
1429G95.9Very high96.5Very high49 Ų4971.4 Ų71.451%0.50538%0.381SS..  trans67.1-3.1-179.800000116.2V1424 C1425 E1431V1424-G1429 WeakPolarHBondContact CG1-O 3.34Å; C1425-G1429 PolarHBondContact O-N 3.15Å; G1429-E1431 PolarHBondContact O-N 3.12Å
1430K96.9Very high96.6Very high124 Ų12473.9 Ų73.954%0.53938%0.375SS..  trans-67.3124.9-176.6-70.9176.5-178.9171.30111.5C1425 C1428 F1432C1425-K1430 WeakPolarHBondContact CB-O 3.42Å; C1425-K1430 PolarHBondContact N-O 3.48Å; C1428-K1430 PolarHBondContact O-N 3.27Å; K1430-F1432 HydrophobicContact CB-CE2 3.92Å; K1430-F1432 HydrophobicContact CB-CZ 4.21Å; K1430-F1432 VanDerWaalsContact O-CD2 3.27Å; K1430-F1432 WeakPolarHBondContact O-CD2 3.3Å; K1430-F1432 WeakPolarHBondContact O-CE2 3.33Å
1431E96.8Very high96.6Very high104 Ų10471.3 Ų71.349%0.48636%0.363SS..EExtended strand (participates in β ladder)trans-91.7143.2-175.1-48.6-179162.800112.9R1421 V1424 G1429R1421-E1431 HydrophobicContact CB-CB 3.53Å; R1421-E1431 HydrophobicContact CG-CB 4.41Å; R1421-E1431 PolarHBondContact NE-O 3.35Å; R1421-E1431 PolarHBondContact NH2-O 3.39Å; V1424-E1431 HydrophobicContact CG2-CG 4.4Å; G1429-E1431 PolarHBondContact O-N 3.12Å
1432F97.9Very high96.5Very high40 Ų4066.1 Ų66.118%0.17535%0.347CS..EExtended strand (participates in β ladder)trans-135.9142.8179.1-59.3-92.4000111.5R1421 F1423 C1425 K1430 L1434 M1438 H1441R1421-F1432 CarbonylContact C-O 3.54Å; R1421-F1432 WeakPolarHBondContact CA-O 3.35Å; F1423-F1432 HydrophobicContact CB-CB 4.48Å; F1423-F1432 WeakPolarHBondContact CB-O 3.28Å; F1423-F1432 WeakPolarHBondContact CD2-O 3.27Å; F1423-F1432 PolarHBondContact N-O 3.16Å; F1423-F1432 WeakPolarHBondContact O-CD2 3.2Å; F1423-F1432 PolarHBondContact O-N 3.13Å; C1425-F1432 HydrophobicContact CB-CE2 4.14Å; K1430-F1432 HydrophobicContact CB-CE2 3.92Å; K1430-F1432 HydrophobicContact CB-CZ 4.21Å; K1430-F1432 VanDerWaalsContact O-CD2 3.27Å; K1430-F1432 WeakPolarHBondContact O-CD2 3.3Å; K1430-F1432 WeakPolarHBondContact O-CE2 3.33Å; F1432-L1434 PolarHBondContact O-N 3.49Å; F1432-M1438 HydrophobicContact CB-CB 4.08Å; F1432-M1438 HydrophobicContact CD2-CB 3.63Å; F1432-M1438 HydrophobicContact CD2-CG 4.01Å; F1432-M1438 HydrophobicContact CE2-CB 4.41Å; F1432-M1438 HydrophobicContact CG-CB 4.03Å; F1432-H1441 HydrophobicContact CE1-CB 4.09Å; F1432-H1441 HydrophobicContact CE2-CB 4.03Å; F1432-H1441 AromaticContact CE2-CD2 3.5Å; F1432-H1441 AromaticContact CE2-CG 3.94Å; F1432-H1441 HydrophobicContact CZ-CB 3.51Å; F1432-H1441 AromaticContact CZ-CD2 3.43Å; F1432-H1441 VanDerWaalsContact CZ-CD2 3.43Å; F1432-H1441 WeakPolarHBondContact CZ-CD2 3.5Å; F1432-H1441 AromaticContact CZ-CG 3.44Å; F1432-H1441 VanDerWaalsContact CZ-CG 3.44Å
1433S96.7Very high96.5Very high37 Ų3770.4 Ų70.426%0.25935%0.354SS..SBendtrans-68.8-15.9173.853.20000114E1420 F1423E1420-S1433 WeakPolarHBondContact O-CA 3.38Å; E1420-S1433 VanDerWaalsContact O-CB 3.24Å; E1420-S1433 WeakPolarHBondContact O-CB 3.24Å; F1423-S1433 WeakPolarHBondContact CE2-O 3.32Å
1434L97Very high96.3Very high22 Ų2271.3 Ų71.312%0.11536%0.364CS..SBendtrans-134.2129.4-173.5-54.6177.4000112.9R1412 F1432 H1436 S1437 M1438R1412-L1434 HydrophobicContact CG-CD2 3.21Å; F1432-L1434 PolarHBondContact O-N 3.49Å; L1434-H1436 VanDerWaalsContact C-N 3.31Å; L1434-H1436 VanDerWaalsContact CD1-CE1 3.49Å; L1434-H1436 WeakPolarHBondContact CD1-CE1 3.08Å; L1434-H1436 PolarHBondContact O-N 3.02Å; L1434-S1437 WeakPolarHBondContact O-CB 3.48Å; L1434-S1437 PolarHBondContact O-N 2.83Å; L1434-M1438 PolarHBondContact O-N 2.92Å; L1434-M1438 VanDerWaalsContact O-N 3.16Å
1435K96.1Very high96Very high127 Ų12769 Ų6955%0.55235%0.348SS*.Hα-helixtrans-52.1-44.9179.9-169.7170.1-179.5173.70112.9F1423 S1437 M1438 H1439F1423-K1435 HydrophobicContact CD1-CB 3.69Å; F1423-K1435 HydrophobicContact CD1-CG 4.01Å; F1423-K1435 HydrophobicContact CD2-CB 4.34Å; F1423-K1435 HydrophobicContact CE1-CB 3.63Å; F1423-K1435 HydrophobicContact CE1-CD 4.24Å; F1423-K1435 HydrophobicContact CE1-CG 4.1Å; F1423-K1435 HydrophobicContact CE2-CB 4.28Å; F1423-K1435 HydrophobicContact CG-CB 4.05Å; F1423-K1435 HydrophobicContact CZ-CB 3.93Å; K1435-S1437 VanDerWaalsContact C-N 3.3Å; K1435-S1437 PolarHBondContact O-N 3.43Å; K1435-M1438 PolarHBondContact O-N 2.62Å; K1435-H1439 PolarHBondContact O-N 3.23Å; K1435-H1439 PolarHBondContact O-ND1 3.49Å
1436H95.7Very high95.6Very high112 Ų11274.2 Ų74.252%0.51938%0.375SS..Hα-helixtrans-68.6-26.1179.462.962.3000113.4L1434 R1440L1434-H1436 VanDerWaalsContact C-N 3.31Å; L1434-H1436 VanDerWaalsContact CD1-CE1 3.49Å; L1434-H1436 WeakPolarHBondContact CD1-CE1 3.08Å; L1434-H1436 PolarHBondContact O-N 3.02Å; H1436-R1440 WeakPolarHBondContact O-CB 3.44Å; H1436-R1440 PolarHBondContact O-N 2.85Å
1437S97.3Very high94.9Very high19 Ų1977 Ų7713%0.13338%0.376CS..Hα-helixtrans-74.4-40.8176.3-63.80000110.6L1434 K1435 R1440 H1441L1434-S1437 WeakPolarHBondContact O-CB 3.48Å; L1434-S1437 PolarHBondContact O-N 2.83Å; K1435-S1437 VanDerWaalsContact C-N 3.3Å; K1435-S1437 PolarHBondContact O-N 3.43Å; S1437-R1440 PolarHBondContact O-N 2.92Å; S1437-H1441 WeakPolarHBondContact O-CB 3.14Å; S1437-H1441 PolarHBondContact O-N 3.07Å
1438M97.4Very high94Very high26 Ų2676.9 Ų76.913%0.12838%0.376CS..Hα-helixtrans-59.2-48.9169-179.9-85.2-86.300111.3F1423 C1425 F1432 L1434 K1435 R1440 H1441 A1442F1423-M1438 HydrophobicContact CB-CB 3.91Å; F1423-M1438 HydrophobicContact CB-CG 4.4Å; C1425-M1438 HydrophobicContact CB-CG 4.05Å; F1432-M1438 HydrophobicContact CB-CB 4.08Å; F1432-M1438 HydrophobicContact CD2-CB 3.63Å; F1432-M1438 HydrophobicContact CD2-CG 4.01Å; F1432-M1438 HydrophobicContact CE2-CB 4.41Å; F1432-M1438 HydrophobicContact CG-CB 4.03Å; L1434-M1438 PolarHBondContact O-N 2.92Å; L1434-M1438 VanDerWaalsContact O-N 3.16Å; K1435-M1438 PolarHBondContact O-N 2.62Å; M1438-R1440 VanDerWaalsContact C-N 3.35Å; M1438-R1440 PolarHBondContact O-N 3.06Å; M1438-H1441 CarbonylContact O-C 3.52Å; M1438-H1441 WeakPolarHBondContact O-CB 3.21Å; M1438-H1441 PolarHBondContact O-N 3.35Å; M1438-H1441 VanDerWaalsContact O-N 3.14Å; M1438-A1442 PolarHBondContact O-N 3.27Å
1439H96.9Very high92.6Very high96 Ų9677.2 Ų77.244%0.44438%0.379SS..Hα-helixtrans-64.7-36.8178.1-72.157.8000112.4K1435 H1441 A1442 R1443K1435-H1439 PolarHBondContact O-N 3.23Å; K1435-H1439 PolarHBondContact O-ND1 3.49Å; H1439-H1441 VanDerWaalsContact C-N 3.3Å; H1439-H1441 PolarHBondContact O-N 2.72Å; H1439-A1442 PolarHBondContact O-N 2.67Å; H1439-R1443 PolarHBondContact O-N 2.81Å
1440R96.9Very high91.6Very high101 Ų10177.5 Ų77.538%0.38138%0.376SS..Hα-helixtrans-62-39.8174.2-174.8178.979.7-16313111.2H348 H1436 S1437 M1438H348-R1440 PolarHBondContact O-NH2 3.08Å; H1436-R1440 WeakPolarHBondContact O-CB 3.44Å; H1436-R1440 PolarHBondContact O-N 2.85Å; S1437-R1440 PolarHBondContact O-N 2.92Å; M1438-R1440 VanDerWaalsContact C-N 3.35Å; M1438-R1440 PolarHBondContact O-N 3.06Å
1441H96.3Very high90.1Very high34 Ų3480.9 Ų80.916%0.15739%0.386CS..Hα-helixtrans-71.3-38175170.858.5000112.7C1425 C1428 F1432 S1437 M1438 H1439 R1443 V1444 H1445C1425-H1441 VanDerWaalsContact SG-CD2 3.57Å; C1428-H1441 PolarHBondContact SG-NE2 2.82Å; F1432-H1441 HydrophobicContact CE1-CB 4.09Å; F1432-H1441 HydrophobicContact CE2-CB 4.03Å; F1432-H1441 AromaticContact CE2-CD2 3.5Å; F1432-H1441 AromaticContact CE2-CG 3.94Å; F1432-H1441 HydrophobicContact CZ-CB 3.51Å; F1432-H1441 AromaticContact CZ-CD2 3.43Å; F1432-H1441 VanDerWaalsContact CZ-CD2 3.43Å; F1432-H1441 WeakPolarHBondContact CZ-CD2 3.5Å; F1432-H1441 AromaticContact CZ-CG 3.44Å; F1432-H1441 VanDerWaalsContact CZ-CG 3.44Å; S1437-H1441 WeakPolarHBondContact O-CB 3.14Å; S1437-H1441 PolarHBondContact O-N 3.07Å; M1438-H1441 CarbonylContact O-C 3.52Å; M1438-H1441 WeakPolarHBondContact O-CB 3.21Å; M1438-H1441 PolarHBondContact O-N 3.35Å; M1438-H1441 VanDerWaalsContact O-N 3.14Å; H1439-H1441 VanDerWaalsContact C-N 3.3Å; H1439-H1441 PolarHBondContact O-N 2.72Å; H1441-R1443 PolarHBondContact O-N 3.02Å; H1441-R1443 VanDerWaalsContact O-N 3.12Å; H1441-V1444 VanDerWaalsContact O-CB 3.26Å; H1441-V1444 WeakPolarHBondContact O-CB 3.39Å; H1441-V1444 WeakPolarHBondContact O-CG2 3.33Å; H1441-V1444 PolarHBondContact O-N 3.06Å; H1441-H1445 AromaticContact CD2-NE2 3.88Å; H1441-H1445 AromaticContact CE1-NE2 3.44Å; H1441-H1445 PolarHBondContact CE1-NE2 3.35Å; H1441-H1445 AromaticContact NE2-CD2 3.97Å; H1441-H1445 AromaticContact NE2-CE1 3.89Å; H1441-H1445 AromaticContact NE2-NE2 3.04Å; H1441-H1445 PolarHBondContact NE2-NE2 3.35Å
1442A94.3Very high88.5Confident17 Ų1779.8 Ų79.814%0.1439%0.386CS..Hα-helixtrans-56-31.7177.800000112.9M1438 H1439 V1444 H1445 I1446M1438-A1442 PolarHBondContact O-N 3.27Å; H1439-A1442 PolarHBondContact O-N 2.67Å; A1442-V1444 PolarHBondContact O-N 2.82Å; A1442-H1445 WeakPolarHBondContact O-CB 3.42Å; A1442-H1445 PolarHBondContact O-N 3.3Å; A1442-I1446 PolarHBondContact O-N 2.93Å
1443R94.9Very high86.6Confident164 Ų16482.8 Ų82.862%0.61940%0.404SS*.Hα-helixtrans-68.7-8.5173.7-60.1-172.5-56.3-174.34.7115H1439 H1441H1439-R1443 PolarHBondContact O-N 2.81Å; H1441-R1443 PolarHBondContact O-N 3.02Å; H1441-R1443 VanDerWaalsContact O-N 3.12Å
1444V93.5Very high84.6Confident76 Ų7685.4 Ų85.446%0.46142%0.419SS..Hα-helixtrans-74.3-48168.7-177.70000109.2H1441 A1442 I1446 K1447 E1448H1441-V1444 VanDerWaalsContact O-CB 3.26Å; H1441-V1444 WeakPolarHBondContact O-CB 3.39Å; H1441-V1444 WeakPolarHBondContact O-CG2 3.33Å; H1441-V1444 PolarHBondContact O-N 3.06Å; A1442-V1444 PolarHBondContact O-N 2.82Å; V1444-I1446 VanDerWaalsContact C-N 3.3Å; V1444-I1446 PolarHBondContact O-N 3.46Å; V1444-K1447 WeakPolarHBondContact O-CA 3.39Å; V1444-K1447 WeakPolarHBondContact O-CB 3.42Å; V1444-K1447 PolarHBondContact O-N 3.25Å; V1444-E1448 PolarHBondContact O-N 2.9Å; V1444-E1448 VanDerWaalsContact O-N 3.14Å
1445H91.8Very high82.4Confident27 Ų2788.2 Ų88.213%0.12544%0.44CS..Hα-helixtrans-56.5-43.1176.3-59-60.2000111.8H1427 C1428 H1441 A1442 K1447 E1448 S1449H1427-H1445 HydrophobicContact CB-CB 4.08Å; H1427-H1445 AromaticContact CD2-CD2 3.94Å; C1428-H1445 PolarHBondContact SG-NE2 3.31Å; H1441-H1445 AromaticContact CD2-NE2 3.88Å; H1441-H1445 AromaticContact CE1-NE2 3.44Å; H1441-H1445 PolarHBondContact CE1-NE2 3.35Å; H1441-H1445 AromaticContact NE2-CD2 3.97Å; H1441-H1445 AromaticContact NE2-CE1 3.89Å; H1441-H1445 AromaticContact NE2-NE2 3.04Å; H1441-H1445 PolarHBondContact NE2-NE2 3.35Å; A1442-H1445 WeakPolarHBondContact O-CB 3.42Å; A1442-H1445 PolarHBondContact O-N 3.3Å; H1445-K1447 PolarHBondContact O-N 2.9Å; H1445-E1448 CarbonylContact O-C 3.36Å; H1445-E1448 WeakPolarHBondContact O-CA 3.38Å; H1445-E1448 WeakPolarHBondContact O-CB 3.38Å; H1445-E1448 PolarHBondContact O-N 3.26Å; H1445-S1449 WeakPolarHBondContact O-CB 3.35Å; H1445-S1449 PolarHBondContact O-N 3.46Å; H1445-S1449 PolarHBondContact O-OG 3.38Å; H1445-S1449 VanDerWaalsContact O-OG 3.07Å
1446I88.7Confident80.3Confident111 Ų11190.3 Ų90.357%0.56945%0.449SS*.Hα-helixtrans-57.3-35.4175.7-58.8175000112.3A1442 V1444 E1448 A1450A1442-I1446 PolarHBondContact O-N 2.93Å; V1444-I1446 VanDerWaalsContact C-N 3.3Å; V1444-I1446 PolarHBondContact O-N 3.46Å; I1446-E1448 VanDerWaalsContact C-N 3.35Å; I1446-A1450 VanDerWaalsContact O-CB 3.27Å; I1446-A1450 WeakPolarHBondContact O-CB 3.27Å; I1446-A1450 PolarHBondContact O-N 2.9Å; I1446-A1450 VanDerWaalsContact O-N 3.08Å
1447K82.1Confident77.9Confident163 Ų16391.9 Ų91.971%0.70946%0.462SS*.Hα-helixtrans-75.6-23.4176.2-70.5-173.5172.2-160.50113.6V1444 H1445V1444-K1447 WeakPolarHBondContact O-CA 3.39Å; V1444-K1447 WeakPolarHBondContact O-CB 3.42Å; V1444-K1447 PolarHBondContact O-N 3.25Å; H1445-K1447 PolarHBondContact O-N 2.9Å
1448E74Confident75.5Confident117 Ų11796.4 Ų96.455%0.54749%0.488SS..Hα-helixtrans-86.1-46.3179.6-163.6152.3-151.500110.2V1444 H1445 I1446 A1450 R1451 T1452V1444-E1448 PolarHBondContact O-N 2.9Å; V1444-E1448 VanDerWaalsContact O-N 3.14Å; H1445-E1448 CarbonylContact O-C 3.36Å; H1445-E1448 WeakPolarHBondContact O-CA 3.38Å; H1445-E1448 WeakPolarHBondContact O-CB 3.38Å; H1445-E1448 PolarHBondContact O-N 3.26Å; I1446-E1448 VanDerWaalsContact C-N 3.35Å; E1448-A1450 VanDerWaalsContact C-N 3.26Å; E1448-A1450 PolarHBondContact O-N 2.95Å; E1448-R1451 WeakPolarHBondContact O-CA 3.41Å; E1448-R1451 WeakPolarHBondContact O-CB 3.37Å; E1448-R1451 PolarHBondContact O-N 3.36Å; E1448-T1452 PolarHBondContact O-N 3.4Å
1449S68.5Low72.9Confident55 Ų55102.6 Ų102.639%0.38552%0.521SS..Hα-helixtrans-57.1-35.8168.1-53.60000112.8H1445 R1451 T1452 N1453H1445-S1449 WeakPolarHBondContact O-CB 3.35Å; H1445-S1449 PolarHBondContact O-N 3.46Å; H1445-S1449 PolarHBondContact O-OG 3.38Å; H1445-S1449 VanDerWaalsContact O-OG 3.07Å; S1449-R1451 PolarHBondContact O-N 2.89Å; S1449-T1452 WeakPolarHBondContact CA-OG1 3.48Å; S1449-T1452 PolarHBondContact O-N 2.91Å; S1449-T1452 PolarHBondContact O-OG1 2.95Å; S1449-N1453 VanDerWaalsContact O-CB 3.26Å; S1449-N1453 WeakPolarHBondContact O-CB 3.44Å; S1449-N1453 PolarHBondContact O-N 3.49Å
1450A73.6Confident70Confident56 Ų56106 Ų10646%0.46354%0.542SS..Hα-helixtrans-62.2-30.4173.700000112.8I1446 E1448 T1454I1446-A1450 VanDerWaalsContact O-CB 3.27Å; I1446-A1450 WeakPolarHBondContact O-CB 3.27Å; I1446-A1450 PolarHBondContact O-N 2.9Å; I1446-A1450 VanDerWaalsContact O-N 3.08Å; E1448-A1450 VanDerWaalsContact C-N 3.26Å; E1448-A1450 PolarHBondContact O-N 2.95Å; A1450-T1454 PolarHBondContact O-OG1 3.3Å
1451R65.4Low66.9Low195 Ų195105.9 Ų105.974%0.73656%0.556SS**Hα-helixtrans-81.7-42.1176.2-74.4177.3159.7-173.4-9.1112.4E1448 S1449 T1454 S1455E1448-R1451 WeakPolarHBondContact O-CA 3.41Å; E1448-R1451 WeakPolarHBondContact O-CB 3.37Å; E1448-R1451 PolarHBondContact O-N 3.36Å; S1449-R1451 PolarHBondContact O-N 2.89Å; R1451-T1454 WeakPolarHBondContact CA-OG1 3.47Å; R1451-T1454 PolarHBondContact O-N 3.39Å; R1451-T1454 PolarHBondContact O-OG1 3.33Å; R1451-S1455 PolarHBondContact O-N 3.23Å; R1451-S1455 PolarHBondContact O-OG 3.3Å
1452T63.5Low64Low81 Ų81111 Ų11150%0.49759%0.59SS.*Hα-helixtrans-69.8-33.5178.757.40000112.3E1448 S1449 S1455 K1456E1448-T1452 PolarHBondContact O-N 3.4Å; S1449-T1452 WeakPolarHBondContact CA-OG1 3.48Å; S1449-T1452 PolarHBondContact O-N 2.91Å; S1449-T1452 PolarHBondContact O-OG1 2.95Å; T1452-S1455 WeakPolarHBondContact O-CB 3.07Å; T1452-S1455 PolarHBondContact O-N 3.38Å; T1452-K1456 PolarHBondContact O-N 3.4Å
1453N57.7Low61.3Low103 Ų103115.8 Ų115.855%0.55162%0.623SS**Hα-helixtrans-68.3-35.1174.2-71.60.1000112.3S1449 S1455 K1456 N1457S1449-N1453 VanDerWaalsContact O-CB 3.26Å; S1449-N1453 WeakPolarHBondContact O-CB 3.44Å; S1449-N1453 PolarHBondContact O-N 3.49Å; N1453-S1455 PolarHBondContact O-N 3.36Å; N1453-K1456 PolarHBondContact O-N 3.17Å; N1453-N1457 PolarHBondContact O-N 3.47Å
1454T54.5Low58.2Low91 Ų91114.6 Ų114.656%0.55863%0.629SS**Hα-helixtrans-64-29.6171.442.30000112.9A1450 R1451 V1458A1450-T1454 PolarHBondContact O-OG1 3.3Å; R1451-T1454 WeakPolarHBondContact CA-OG1 3.47Å; R1451-T1454 PolarHBondContact O-N 3.39Å; R1451-T1454 PolarHBondContact O-OG1 3.33Å; T1454-V1458 WeakPolarHBondContact O-CG2 3.45Å
1455S52Low55.5Low82 Ų82119.1 Ų119.157%0.57364%0.644SS**Hα-helixtrans-73.3-28.4174.9-58.10000113.6R1451 T1452 N1453R1451-S1455 PolarHBondContact O-N 3.23Å; R1451-S1455 PolarHBondContact O-OG 3.3Å; T1452-S1455 WeakPolarHBondContact O-CB 3.07Å; T1452-S1455 PolarHBondContact O-N 3.38Å; N1453-S1455 PolarHBondContact O-N 3.36Å
1456K51Low52.6Low170 Ų170123 Ų12374%0.73968%0.675SS**Hα-helixtrans-79.5-23.9178.8-73.1-162.5171.7-165.70114.3T1452 N1453T1452-K1456 PolarHBondContact O-N 3.4Å; N1453-K1456 PolarHBondContact O-N 3.17Å
1457N45.8Very low49.8Very low146 Ų146123.2 Ų123.278%0.78168%0.684SS**THydrogen-bonded Turntrans-905.3179.3-79.715.3000114.8N1453N1453-N1457 PolarHBondContact O-N 3.47Å
1458V47.3Very low47.4Very low113 Ų113121 Ų12169%0.68568%0.684SS**THydrogen-bonded Turntrans-106.90.3-179.5175.60000112.3T1454T1454-V1458 WeakPolarHBondContact O-CG2 3.45Å
1459L42.2Very low45.5Very low156 Ų156121.5 Ų121.582%0.81770%0.696SS**SBendtrans-116.323.4-174.5-119.6161000113.7
1460L35.1Very low43.7Very low168 Ų168127.8 Ų127.888%0.8872%0.717SS**SBendtrans-138.155.5177.5-156.577.9000112
1461S33.1Very low41.7Very low99 Ų99134.4 Ų134.469%0.69274%0.735SS**  trans-152.239.7-178.767.70000115.7
1462T35.4Very low40.1Very low140 Ų140130 Ų13086%0.85973%0.734SS**  trans-157.394.2158.444.40000111.1
1463S36.7Very low38.7Very low119 Ų119134.1 Ų134.183%0.83275%0.748SS**  trans-142115159.956.80000107.6
1464N29.7Very low37.7Very low139 Ų139138.3 Ų138.374%0.74376%0.764SS**  trans-78.7174.3-173.1-71.6-25.1000112.7
1465H36.8Very low36.7Very low171 Ų171142.1 Ų142.179%0.79278%0.779SS**  trans96.1121.5162.8-57.2-80.8000118.1
1466S32.2Very low36.3Very low109 Ų109147.4 Ų147.476%0.76282%0.816SS**  trans40.9138.5139.3600000120.7
1467C28.6Very low35.5Very low114 Ų114146.3 Ų146.377%0.7782%0.82SS**  cis-159.2-168.410.9-136.50000113.2
1468T31.6Very low35Very low116 Ų116146.3 Ų146.371%0.71282%0.822SS**  trans-33.7153.5158.655.70000114.1
1469T35.5Very low34.3Very low128 Ų128148.2 Ų148.279%0.78583%0.83SS**  cis-158161.439.8-42.30000111.8
1470F29.1Very low33.9Very low187 Ų187147.7 Ų147.782%0.8283%0.83SS**  trans-61.6138165.2-85.3-109.8000112.1
1471K32.8Very low33.8Very low195 Ų195146.4 Ų146.485%0.84883%0.827SS**  trans-139.8135.5141.4-89.7-155.4170-160.50109.5
1472S30.7Very low33.8Very low102 Ų102149.6 Ų149.671%0.71384%0.836SS**  trans-138.484.5-174.3540000110
1473E34Very low33.7Very low169 Ų169150.3 Ų150.379%0.7984%0.835SS**  trans-168.9138.3-176.3-104151.2-160.800105
1474E36.8Very low33.5Very low191 Ų191152.7 Ų152.789%0.89384%0.835SS**  cis-133.5-172.69.9-76.2-179.5102.700112.1
1475I34.3Very low33.8Very low171 Ų171153.8 Ų153.888%0.87784%0.843SS**  trans-121.1117.6-173.7-60.2170.5000111.3
1476S43.4Very low33.5Very low193 Ų193152.3 Ų152.3100%1.3585%0.847SS**  trans-158.20154.969.80000111.5

Retrieved 1,476 of 1,476 residues in 314.3 ms (Link to these results)