A0A5K4FD12_SCHMA Loading...

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AlphaFold DB , UniProt , Accession A0A5K4FD12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,046 aa.

>A0A5K4FD12_SCHMA|A0A5K4FD12
MLCGISNSVSSHEIANTSTLTMKNHKHNRIPSEFPNNHFNKIQMLKMETGKRSPAGYSWVPNEKFGIRPQSLGLYQSNPMLHDQKSLASNINQPDSSHRPTILSPDISRKEDFNSKSYFKKRRGTFDNNNKNATVPTSLVSPNITYNSNNTSKNEKSKTNLPYFQSSHLKKSTSRTSSKESIRERSPVKLLSAKETHFLNYNAVGNVRESYKYGTVVNKYKEKSQSISDETTKVSQSRSASTPSRKLPQDEEKSTKNAEFQKYHEPQLSSSQIKPHEANKLIKDGNNTQTLSKKNELQNVISPSIISQRTDHLNIASFLATSCSNTPTWSTNPIPINVLTNSSVARLCDLTDPTDAFNSNKQSLTLDNYINNDLDELTQLQSVYSQITHKQKSKQKYNLPNSNSAASSLSAGDDRTFCDSGISSSSYSKDSACTSPSDPNAYNPIPSLGTNEWVSTCKIPCDKESIFDSNSHQKQNQGIPLSKSSRIPSISKLTDRSKINNSTEMIGSQPAFSTIQRTQRLKTVGKSTSQSGKEVTSVIAQNNDFDSQSPSLKFYHDVNSSNKISQSTKHLHDNASRLHSTPGSLNPMVSKRPNKIFINSAGDEVSKSETMNVKIHNNTNTTNNDNKTNTVALNNTKNDAHNCNIDKDLRPDNLIKSEPHRSNEKIDDIQCNQLNQMYVSDKMNKQHKHVYQQLKLLNDQQHKISQDQSSPIISECNKGKVKRDNGKSTILYDEPSLKITCSELGQLTYTNEVNSYFKPCSQSGVIPRPREFFSLITSEKPVSGQKKSFDIKPIKSAVVTSEPEISLLSKSLPGVGAENPYHMPADFTNDPDLLLSSLSKLSCDPCLGDNSWDQNYFSDVESEYAALELILPIPKRESLTEAEIALELDKKLSEAIPDQVSGAFVNIINPNTSLANNAVSSGKCLEPGYFSDTEAIFSSQRKFKPLSDPNNCKLPIASVAPIMSTQPAPFKNVLDENQKRLFAPSNLNLKKHELSSPSQCTSKIDGMMQMQEIKWPRLCSLQNLVQGENKGRLRHSSNHHEAINKTSLPVTNCTIGTGPLSQIKLPYPTASMMVNVGSLNDITAKSGQRKGIHNTYSELDQCKANGAASALNCSSIKSADLMIENFRQETRRLQDHIAVLSGHLSVKDNKIETLEETMESMVVRIEQLQALDNFKNSEIHELQSIINQLRGDDMNSKSLASSPSHFQPKPPRSTSCRTLPDAMYQDLQDAISLNSFTSGTSAGSQDPSIHSQQKQKTNSKSDDKCSSQIDSSASALDTERSYVKHSHWLRASFSKAFRKRAKSNIRPNDSEILMNGSSTTNLQPTVHDQVTANNQKLQCEQQLDRLHLTVSRMRWQMDLLEARNKKLQEIILKYNPDELLRNELYTVKLEKKVSLYDLSTHHFQDSCQFVQVFVHTESICYRNLDKISNISQCRDQSAANDNSADTPINCIRSFKIGCTGLLDEMTWEDLDERLQKLIQYYINFLDPNNQLQLESLELQAYQLNFTLTEQSEIKTQSIVRSFTTTTLSSSSAESQSQISCTVLLPIPYTDEQINSQSPIVWINDMINKYNAKHYTLSIQIHLKGCTMKFPLQKDQKPPHQHVFEQKEMLKYVCFGSLIPLITLSTYLSTIRDNSIVIIYGASGTGKSQLVNDLTKILVTNPHSKNTVYNFRFKHDGSTTVKELKSVLTQQLNSFTNNGYPEVINLLNIQHFQGSFSDLFSKLKFSSNCPKIVGTSGTGNIELEKFLIENQIKVINHLSDINDAKEYLERSLNRKLIQYRLFNEFYSSHGFNEDKDSLNKYVTQVEDKNLNQLVSWLTEFWNQLNEIPYSLLQSNQFTIFGIRTFLTCPMHSQLSLNWFLDLWNNMLVPILFKDIKNITTSTMPTKKEPLNSIFKTLNNILGWITITWPWNPTIVNFPKSIREPKITLTQNSISMMKNYQLTLSTLCNSDVETCQHRTSMDSGIILDGINPTSNNLFNCFENNSNIMYGNNYYSHYHYPYGIGDNYNVQQHVANITDCNQLTTTTSHQMKNENCTRSNCTKTVTSMK
Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M25.5Very low28.7Very low233 Ų233134.9 Ų134.9100%1.14883%0.829SS**  0146.90-72.2-179.7176.100107.9
2L27.9Very low28.7Very low148 Ų148138.1 Ų138.178%0.77583%0.827SS**  cis-171.1146.4-27.6-124.5170.4000106.6
3C31.7Very low28.3Very low128 Ų128137.1 Ų137.187%0.86581%0.808SS**  trans63.9155.2176.3-57.20000116.3
4G31Very low28.5Very low66 Ų66139.4 Ų139.468%0.6881%0.812SS**  cis175165-10.100000113.6
5I32.9Very low28.5Very low170 Ų170135 Ų13587%0.87280%0.799SS**  trans64.9102.5171.8-47.3179000114.4
6S32.3Very low28.4Very low120 Ų120135.6 Ų135.684%0.83980%0.797SS**  trans-96.7150.8-177.652.40000113.7
7N28.4Very low28.5Very low155 Ų155134.9 Ų134.983%0.82980%0.795SS**  trans-98.1179.8-162.4-80.4-30.6000116.2
8S28.9Very low28.5Very low101 Ų101132.8 Ų132.871%0.70679%0.788SS**SBendtrans-49.7168.1161.756.20000115.7S10S8-S10 PolarHBondContact O-N 2.64Å
9V25.2Very low28.4Very low144 Ų144132.3 Ų132.387%0.87379%0.787SS**  trans-22.7125.6155.3-177.80000114.1
10S28.1Very low28.4Very low116 Ų116133.5 Ų133.581%0.81179%0.788SS**  trans-163.7157.2145.950.80000110.2S8S8-S10 PolarHBondContact O-N 2.64Å
11S24.2Very low28.3Very low103 Ų103132.2 Ų132.272%0.7278%0.782SS**  trans-128.8133.2175.953.30000108.9
12H28.5Very low28.5Very low173 Ų173127.4 Ų127.480%0.80176%0.758SS**  trans-166.2168.7147.1-111.9-71000111.9
13E23.9Very low28.6Very low125 Ų125128.2 Ų128.258%0.58476%0.755SS**  trans-71.8168.7-177.1-46.911313500112.9
14I30.3Very low28.6Very low169 Ų169127.4 Ų127.487%0.86774%0.743SS**  -166.8147104.8-94.8159000111
15A28.3Very low28.6Very low74 Ų74130.3 Ų130.361%0.61274%0.738SS**  trans-65.3168.5-166.600000118.2
16N27.8Very low28.6Very low145 Ų145129.2 Ų129.278%0.77573%0.727SS**  123.7129.8124.1-83.1-21.7000121.1
17T29.8Very low28.7Very low123 Ų123130 Ų13076%0.75572%0.717SS**  trans87132.7137.545.60000124.1
18S29Very low28.8Very low97 Ų97128.2 Ų128.268%0.67871%0.708SS**  trans71.493.3143.253.40000121.3
19T25.7Very low28.8Very low123 Ų123133.4 Ų133.476%0.75571%0.712SS**  33.9124.8113.659.70000119.6
20L29Very low28.9Very low157 Ų157133.9 Ų133.982%0.82271%0.708SS**  -169130100.8-100.1151.1000114
21T26Very low29.3Very low106 Ų106133.9 Ų133.965%0.6571%0.705SS**  trans-16.4145.2158.359.70000120
22M28.9Very low29.3Very low133 Ų133134.2 Ų134.266%0.65571%0.707SS**  164127.3109.4-86.4-94.397.500112.6
23K30.2Very low29.2Very low164 Ų164134.3 Ų134.371%0.71371%0.708SS**  trans62.4147.3142.9-65.4171.7178.3154.10118.3
24N32.4Very low29.3Very low112 Ų112138.3 Ų138.360%0.59972%0.724SS**  cis-158149.8-4-122.7-2.9000112.6
25H31.9Very low29.6Very low127 Ų127134.8 Ų134.859%0.58871%0.712SS**  trans52.7116.6140.5-71.1-16.2000121.7
26K32.6Very low29.6Very low147 Ų147137.9 Ų137.964%0.63972%0.718SS**  104.4145.594.6-80.5175.4176.4175.60110.7
27H33Very low29.5Very low135 Ų135137.1 Ų137.163%0.62571%0.714SS**  cis-154.2158.10.1-111.8-46.3000110.8
28N30.6Very low29.3Very low119 Ų119138.2 Ų138.264%0.63671%0.711SS**  trans17.7143.9131.3-56.710.8000118.9
29R29.6Very low29.3Very low209 Ų209141.5 Ų141.579%0.78971%0.713SS**  cis-162.21558.1-101.5161.7178.7179.3-2.7106.1
30I27.4Very low29.5Very low155 Ų155142.6 Ų142.680%0.79571%0.714SS**  67124.257.1-55.2168000111.2
31P36.2Very low29.5Very low115 Ų115144 Ų14475%0.74771%0.714SS**  -136.7-144.5-82.541.8-20.7000112.7
32S24.3Very low29.7Very low110 Ų110145 Ų14577%0.76971%0.714SS**  trans95.4162.3156.276.60000120.5
33E27Very low29.7Very low175 Ų175146.9 Ų146.982%0.81872%0.721SS**  trans71.490173.7-56.3-165158.400120.4
34F25Very low29.5Very low209 Ų209144.1 Ų144.192%0.91771%0.712SS**  44.3163.7121-79.6-53000122.6
35P36.4Very low29.4Very low96 Ų96145 Ų14562%0.62372%0.716SS**  trans-123.2165.5-137.141.7-27.3000115.4
36N28.2Very low29.3Very low138 Ų138146.9 Ų146.974%0.73872%0.722SS**  -176.6142.7119.4-98.5-47000114.6
37N26Very low29.1Very low129 Ų129146.7 Ų146.769%0.6973%0.726SS**  trans50.3115.8142.6-68.2-20.7000123
38H26.7Very low29Very low147 Ų147147.2 Ų147.268%0.68173%0.728SS**  111.7137.5116.4-105.3-98.1000121.8
39F28.6Very low29Very low166 Ų166147.2 Ų147.273%0.72873%0.733SS**  trans83.7119.5156.6-74.7-61.2000123.5
40N30.6Very low29Very low145 Ų145140.1 Ų140.178%0.77573%0.725SS**  trans93107.5139.7-66.7-22.5000122.9
41K28.4Very low29.3Very low187 Ų187142.3 Ų142.381%0.81373%0.728SS**  trans-42.6158.6140.7-72.5179.2164.8-174.70112.6
42I30Very low28.9Very low126 Ų126148.4 Ų148.465%0.64674%0.737SS**  cis-165.1146.5-3.9-106.2163.1000106.8
43Q28.8Very low28.9Very low173 Ų173148.1 Ų148.181%0.80873%0.734SS**  trans179.9107.5132.4-101.8-173.9-8.600115
44M27Very low29.6Very low106 Ų106145.2 Ų145.252%0.52273%0.731SS.*  56.3155116.2-88.9-128.279.600125.5F113M44-F113 HydrophobicContact CE-CZ 4.08Å; M44-F113 HydrophobicContact CG-CE2 3.61Å; M44-F113 HydrophobicContact CG-CZ 3.62Å; M44-F113 HydrophobicContact SD-CE2 3.49Å; M44-F113 WeakPolarHBondContact SD-CE2 3.43Å; M44-F113 HydrophobicContact SD-CZ 3.51Å; M44-F113 VanDerWaalsContact SD-CZ 3.51Å
45L29.4Very low29.7Very low132 Ų132139.8 Ų139.869%0.69173%0.725SS**  trans83.7137.5166.5-53.9173000116.2
46K29Very low29.1Very low165 Ų165138.5 Ų138.572%0.71773%0.729SS**  cis-158.9146.6-7.3-133.6178.2-178178.10113.1
47M29.8Very low29.1Very low144 Ų144142.4 Ų142.471%0.70974%0.735SS**  trans37.4148.1137.1-78.6171.1154.300122.5
48E30.2Very low29.1Very low146 Ų146140.3 Ų140.368%0.68273%0.731SS**  cis-169.1-172.1-19.6-127.1-158.975.600106.7
49T31.5Very low28.9Very low118 Ų118144.7 Ų144.772%0.72474%0.741SS**  cis-125.7-16511.770.70000108.9
50G28.8Very low29Very low61 Ų61143.1 Ų143.163%0.62975%0.745SS**  cis165.5179.66.600000110
51K32.6Very low29Very low200 Ų200141.9 Ų141.987%0.8775%0.745SS**  cis-115.3-112.9-6.7-65.5-177.6179.8179.20109.7
52R28Very low28.8Very low244 Ų244139.6 Ų139.692%0.92174%0.742SS**  trans-145.4157.1-176.9-79.1-171.8175.4165.5-2.2116.5
53S25.5Very low28.7Very low103 Ų103139.6 Ų139.672%0.7274%0.739SS**  trans-67.7-157.5167.454.50000112.7
54P41.1Very low28.6Very low114 Ų114138.4 Ų138.474%0.7473%0.731SS**  cis-148.2-176.84.344.3-23.4000119.7
55A26.6Very low28.7Very low96 Ų96143.1 Ų143.179%0.79375%0.749SS**  trans73.1107.1140.300000124.2
56G25.2Very low28.6Very low69 Ų69139.9 Ų139.971%0.71175%0.748SS**  81.4126.4113.600000122
57Y28.2Very low28.8Very low219 Ų219140.5 Ų140.586%0.85976%0.757SS**  trans-175.9-172.9133.4-108-69.5000111.6
58S25.1Very low28.8Very low86 Ų86144.4 Ų144.460%0.60176%0.764SS**  trans-109.3148.8-164.252.90000115.6
59W22.2Very low29.3Very low239 Ų239142.8 Ų142.891%0.90577%0.766SS**  trans59.8119.2152.6-72.143.3000119.4
60V31.7Very low29.3Very low132 Ų132145.8 Ų145.880%0.877%0.772SS**  trans30118.1136-172.20000116.9
61P30.6Very low29.3Very low119 Ų119148 Ų14877%0.77378%0.778SS**  -153.2172.971.642.6-23.4000119.8
62N24.4Very low29.2Very low140 Ų140147.3 Ų147.375%0.74978%0.782SS**  trans-53.1167.2153.8-86.4-3.5000113
63E26.6Very low29.3Very low125 Ų125138.3 Ų138.358%0.58477%0.766SS**  cis-166.9161.913.7-132-179.3179.200114.7
64K27.4Very low29.6Very low148 Ų148140.4 Ų140.464%0.64377%0.768SS**  trans73.8166141.5-88.1166.2-165148.80124.4
65F28.6Very low29.1Very low205 Ų205143.8 Ų143.890%0.89977%0.767SS**  trans78.1121.9175.5-58.7-78.8000117.4
66G26.8Very low29.3Very low65 Ų65146.7 Ų146.767%0.6776%0.764SS**  cis147.1154.3-15.200000114.3
67I34.2Very low29.6Very low177 Ų177147.7 Ų147.791%0.90876%0.761SS**  trans175.7148.8148.3-94.6155.2000109.4
68R29.1Very low29.4Very low226 Ų226144.2 Ų144.285%0.85376%0.757SS**  trans-158.7134.2-175.3-178.3-168.2-169-169.47110.7
69P40.5Very low30Very low112 Ų112145.9 Ų145.973%0.72777%0.766SS**  trans-113.8153.9152.134.2-23.5000110.3
70Q31.4Very low30.1Very low182 Ų182142.7 Ų142.785%0.8576%0.763SS**  cis-145.6-173.2-8.9-1421743.700108.2
71S29.3Very low30Very low108 Ų108143.3 Ų143.376%0.75576%0.761SS**  trans-158.2136.6-178.655.70000113.7
72L30.9Very low30Very low184 Ų184144.7 Ų144.796%0.96376%0.757SS**  trans-137.5138.6165.7-82.1167.3000108.9
73G30.7Very low30.1Very low56 Ų56144.1 Ų144.158%0.57775%0.754SS**  cis166.2150-900000113.5
74L30.9Very low30.2Very low146 Ų146144.8 Ų144.876%0.76476%0.757SS**  trans66.3160.8-172.7-43.1-175.8000112.1
75Y30.7Very low30.3Very low186 Ų186146.1 Ų146.173%0.72976%0.763SS**  cis-163.5157.8-24-104.2-9.8000105.3
76Q31.3Very low30.3Very low156 Ų156141.2 Ų141.273%0.72975%0.754SS**  cis-156.6173.70.1-127.5179.87500106.7
77S31.3Very low30.1Very low91 Ų91145.9 Ų145.964%0.63676%0.763SS**  cis-140.5-124.23.759.90000112.4
78N23.7Very low29.9Very low146 Ų146142.2 Ų142.278%0.78176%0.758SS**  trans179.7-176.4-167-103.4-31.5000107.6
79P37.1Very low29.8Very low121 Ų121135.9 Ų135.979%0.78675%0.749SS**  cis-141-177.117.443.6-24.4000117.9
80M24.9Very low29Very low171 Ų171137.7 Ų137.784%0.84275%0.753SS**  trans-95.2170.1166-62.3169.154.700113.1
81L29Very low28.8Very low146 Ų146136.2 Ų136.276%0.76475%0.749SS**  trans-170.5172.7133.9-97.5173.9000107.2
82H30.2Very low28.8Very low148 Ų148137.6 Ų137.669%0.68575%0.748SS**  cis-148.1-153.37.3-147.8-29.1000110.8
83D26.5Very low28.6Very low127 Ų127137.2 Ų137.268%0.67974%0.741SS**  trans-106.8177.4-176.8-52.2-81.7000111.3
84Q30Very low28.6Very low139 Ų139139 Ų13965%0.6574%0.743SS**  cis-167.2151.141.4-64.9-178.121.300114.1
85K28.8Very low28.4Very low177 Ų177138.6 Ų138.677%0.7774%0.741SS**  trans61.1161.6142.3-67.9163.9-168.4164.60119.2
86S28.1Very low28.2Very low102 Ų102134.9 Ų134.971%0.71374%0.742SS**  cis-162.8133.3-14.740.60000107.6
87L24.5Very low28Very low163 Ų163131.8 Ų131.885%0.85374%0.738SS**  71.492.473.2-148.1-177.4000115.1
88A28.2Very low27.9Very low99 Ų99135.8 Ų135.882%0.81875%0.746SS**  trans-168.7163.4157.300000111.3
89S27.4Very low27.9Very low93 Ų93138.7 Ų138.765%0.6575%0.746SS**  trans-155.7147-132.5510000115.9
90N23.6Very low27.6Very low151 Ų151137.2 Ų137.281%0.80774%0.736SS**  trans65.1141.7159.4-59.8-19.4000119.8
91I28.5Very low27.4Very low150 Ų150135.8 Ų135.877%0.76974%0.738SS**  179.1146.7119.2-93.2161.2000110.9
92N28.2Very low27.2Very low138 Ų138135 Ų13574%0.73873%0.733SS**  trans63.3111.8175.1-59.8-18.2000118.4
93Q26.2Very low27.2Very low175 Ų175135.1 Ų135.182%0.81874%0.738SS**  60.2147.564-73.1-167.6-19.500116.2
94P32.4Very low27.1Very low94 Ų94134.1 Ų134.161%0.6174%0.741SS**  cis-140.4-163.9-26.839.7-20.5000113.5
95D26.4Very low27.2Very low138 Ų138132.5 Ų132.574%0.73874%0.742SS**  trans59.4114.7157.1-57.9-26.1000119.9
96S25.4Very low27Very low107 Ų107131.1 Ų131.175%0.74874%0.743SS**  79.7142.881.3105.10000113.4
97S27.5Very low27.1Very low91 Ų91133.6 Ų133.664%0.63675%0.747SS**  cis-157.5-175.11651.20000112.6
98H28.7Very low27.2Very low176 Ų176130.8 Ų130.882%0.81574%0.741SS**  trans79.966.9162.3-67.1-58.2000122.6
99R25.1Very low27.3Very low207 Ų207136.9 Ų136.978%0.78174%0.743SS**  -71.3178.6123.1-118.1-174.8175.1-176.30.4109.2
100P30.3Very low27.4Very low89 Ų89140.2 Ų140.258%0.57875%0.745SS**  cis-137.8-159.8127.30.1000112.9I102P100-I102 HydrophobicContact CG-CD1 3.98Å; P100-I102 HydrophobicContact CG-CG1 3.75Å
101T19.9Very low27.6Very low142 Ų142139.8 Ų139.887%0.87174%0.739SS**  trans-84133.3153.2-44.70000109.8
102I26.4Very low27.6Very low129 Ų129138.6 Ų138.666%0.66273%0.734SS**  trans-146.8152.1169.3-25.6176.5000109.1P100P100-I102 HydrophobicContact CG-CD1 3.98Å; P100-I102 HydrophobicContact CG-CG1 3.75Å
103L29.2Very low27.7Very low150 Ų150139.2 Ų139.279%0.78573%0.73SS**  trans67.2126.6170.5-58.8168.8000114.4
104S25.1Very low27.7Very low106 Ų106137.5 Ų137.574%0.74173%0.727SS**  87.3148.351.1-64.60000112.8
105P31.4Very low27.3Very low105 Ų105137.6 Ų137.668%0.68273%0.73SS**  trans-102-179.4-154.441.2-38.1000114.9
106D25Very low27.4Very low149 Ų149140.2 Ų140.280%0.79773%0.734SS**  trans68.3139.4163.9-55.3-48.7000115.9
107I29.1Very low27.3Very low154 Ų154139.8 Ų139.879%0.7973%0.731SS**SBendcis-131.4143.420.4-70.9172000111.9
108S27.1Very low27.1Very low103 Ų103145.4 Ų145.472%0.7274%0.74SS**SBendtrans71.9124.6167.7830000116.5
109R30.1Very low26.9Very low228 Ų228145.2 Ų145.286%0.8674%0.737SS**  cis-145.7140.713.3-65.2177.3171.7154.4-2.5112.7
110K29.2Very low27.1Very low162 Ų162144.3 Ų144.370%0.70474%0.739SS**  trans63117.9150-69.3-175.9148.1-77.40121.5
111E29.5Very low27.1Very low143 Ų143147 Ų14767%0.66874%0.741SS**  71.886.2127.5-72.3141.3-133.300121.3
112D27.4Very low27.5Very low124 Ų124152.1 Ų152.166%0.66375%0.745SS**  71141.1104.6-84.210000125.6
113F30.1Very low27.7Very low152 Ų152158.1 Ų158.167%0.66776%0.759SS**  trans83.4164.1151.6-84.5-62.8000122.4M44M44-F113 HydrophobicContact CE-CZ 4.08Å; M44-F113 HydrophobicContact CG-CE2 3.61Å; M44-F113 HydrophobicContact CG-CZ 3.62Å; M44-F113 HydrophobicContact SD-CE2 3.49Å; M44-F113 WeakPolarHBondContact SD-CE2 3.43Å; M44-F113 HydrophobicContact SD-CZ 3.51Å; M44-F113 VanDerWaalsContact SD-CZ 3.51Å
114N26.7Very low27.6Very low139 Ų139154.1 Ų154.174%0.74375%0.754SS**  trans-151.4145.5-137.6-169.92.4000112
115S23.9Very low27.6Very low96 Ų96155.7 Ų155.767%0.67176%0.759SS**  trans72142.1158.579.90000121.2
116K27.7Very low27.3Very low192 Ų192159.5 Ų159.584%0.83577%0.765SS**  trans64.598.1147.1-75.8-174.4176.1-175.80120.9
117S24.5Very low27.4Very low98 Ų98159.1 Ų159.169%0.68576%0.763SS**  72.8117.1116.267.90000121.7
118Y23.5Very low27.4Very low210 Ų210157.1 Ų157.182%0.82475%0.754SS**  trans83.7134.9145.7-85.6-71000122.4
119F23.7Very low27.5Very low171 Ų171157.9 Ų157.975%0.7575%0.75SS**  trans87.6140.3154.8-85.3-67000123.6
120K28.4Very low27.5Very low189 Ų189152.3 Ų152.382%0.82274%0.738SS**  trans77.799.6156-76.6175.6178.5174.30120.2
121K31.8Very low27.5Very low144 Ų144152.8 Ų152.863%0.62674%0.74SS**  -31.7146.1129.4-86.1164160.4179.40112.7E1464K121-E1464 WeakPolarHBondContact CD-OE1 3.46Å; K121-E1464 WeakPolarHBondContact CD-OE2 3.46Å; K121-E1464 VanDerWaalsContact NZ-CD 3.32Å; K121-E1464 IonicContact NZ-OE1 4Å; K121-E1464 IonicContact NZ-OE2 2.7Å; K121-E1464 PolarHBondContact NZ-OE2 2.81Å
122R27.6Very low27.3Very low251 Ų251152.6 Ų152.695%0.94774%0.743SS**  -155.6153.3119.3-110.8176.1-176.5-167.5-1.6110.8
123R29.7Very low27.4Very low255 Ų255150.3 Ų150.396%0.96274%0.742SS**  trans-92.3159169.2-73.9-178.5174.2177.8-1.2109.6
124G27.7Very low27.2Very low65 Ų65149 Ų14967%0.6775%0.746SS**  trans140.3140.517200000110.9
125T26.1Very low27.3Very low140 Ų140148.5 Ų148.586%0.85975%0.748SS**  cis-155.2174.9-10.8-23.70000108.7
126F23.3Very low27.4Very low185 Ų185149.1 Ų149.181%0.81175%0.75SS**  trans-54.7144.5164.5-77.4-114.4000110.3
127D28.5Very low27.5Very low141 Ų141145.6 Ų145.675%0.75475%0.745SS**  -151.3144.1110.8-121.2-29.7000115.6
128N28.6Very low27.4Very low112 Ų112145.6 Ų145.660%0.59974%0.744SS**  trans-25.4162.1148.6-66.5-67.1000116.6
129N28.3Very low27.6Very low118 Ų118143.1 Ų143.163%0.63175%0.745SS**  cis-166.616310.3-133.6-35.2000112.8
130N30.2Very low27.8Very low112 Ų112140.7 Ų140.760%0.59974%0.744SS**  trans63.2146.7159.3-65.7-58.2000117
131K29.3Very low27.7Very low171 Ų171137 Ų13774%0.74374%0.742SS**  cis-166.6165.5-2.1-118.3165.1-173.6156.40107.5
132N26.8Very low27.6Very low139 Ų139135.7 Ų135.774%0.74375%0.748SS**  cis-157.5170.6-0.4-166.426.1000109.6
133A28.8Very low27.5Very low77 Ų77130.5 Ų130.564%0.63674%0.739SS**  trans67.2151.3153.600000119.6
134T25.4Very low27.4Very low124 Ų124124.9 Ų124.976%0.76173%0.727SS**  cis-162.8174.6-27.5-65.80000106.4
135V28.5Very low27.3Very low129 Ų129124.9 Ų124.978%0.78271%0.714SS**  trans90.4143.4165.4-171.90000115
136P27.5Very low27.4Very low109 Ų109130.2 Ų130.271%0.70872%0.72SS**  trans-111.4-131.3-165.243.2-30.8000112.8
137T29.9Very low27.6Very low118 Ų118125.6 Ų125.672%0.72470%0.703SS**  trans64.4126.3-169.847.10000113
138S22.1Very low27.6Very low97 Ų97124.5 Ų124.568%0.67871%0.707SS**  cis70.1156.149.992.10000113.4
139L28.3Very low27.6Very low159 Ų159123.4 Ų123.483%0.83270%0.701SS**  trans71.5145.1-169.1-52.7171.6000113
140V27.9Very low28Very low120 Ų120124.1 Ų124.173%0.72771%0.705SS**  cis174.1127.1-22.5122.90000103
141S24.8Very low27.8Very low112 Ų112125.2 Ų125.278%0.78372%0.716SS**  trans-66.5144.8163.5-22.50000108
142P30Very low27.6Very low116 Ų116121.9 Ų121.975%0.75371%0.714SS**  -157.7162.574.743.2-23.8000119.1
143N25.9Very low27.7Very low142 Ų142124.5 Ų124.576%0.75972%0.719SS**  trans-35.9178.8136.6-62.6-22.8000114.7
144I27.7Very low27.5Very low137 Ų137127.7 Ų127.770%0.70373%0.725SS**  cis-167.6170.39.2-132.4171.9000107.6
145T25.8Very low27.7Very low65 Ų65129 Ų12940%0.39972%0.722SS.*  cis-146.7153.1-4.524.70000108.1N147T145-N147 WeakPolarHBondContact CB-OD1 3.35Å; T145-N147 HydrophobicContact CG2-CB 4.25Å; T145-N147 PolarHBondContact OG1-OD1 3Å
146Y28.1Very low27.7Very low251 Ų251130.3 Ų130.398%0.98472%0.718SS**  -117.287.6127.7-95.8-78.2000104.8
147N26.9Very low27.7Very low88 Ų88129.3 Ų129.347%0.47171%0.713SS.*  85.966.850.5-135.859.9000113.9T145 N149T145-N147 WeakPolarHBondContact CB-OD1 3.35Å; T145-N147 HydrophobicContact CG2-CB 4.25Å; T145-N147 PolarHBondContact OG1-OD1 3Å; N147-N149 WeakPolarHBondContact CA-OD1 3.32Å; N147-N149 PolarHBondContact ND2-ND2 3.22Å; N147-N149 PolarHBondContact OD1-OD1 3.07Å
148S29.4Very low27.7Very low119 Ų119132.3 Ų132.383%0.83272%0.716SS**SBendtrans-163.5111.6152.858.60000112.8
149N28Very low28Very low89 Ų89133 Ų13348%0.47672%0.716SS.*  -156.9145.4-51.4-96-7.3000106.2N147 T151N147-N149 WeakPolarHBondContact CA-OD1 3.32Å; N147-N149 PolarHBondContact ND2-ND2 3.22Å; N147-N149 PolarHBondContact OD1-OD1 3.07Å; N149-T151 HydrophobicContact CB-CG2 4.38Å
150N37.2Very low28Very low133 Ų133131.8 Ų131.871%0.71171%0.711SS**  cis56.760.228.2-92.88.8000113.6S152N150-S152 VanDerWaalsContact C-N 3.3Å; N150-S152 PolarHBondContact O-N 3.48Å
151T26Very low27.8Very low135 Ų135133.6 Ų133.683%0.82872%0.716SS**  trans-88.657.3174.452.10000112.7N149N149-T151 HydrophobicContact CB-CG2 4.38Å
152S25Very low28.5Very low100 Ų100133.1 Ų133.170%0.69971%0.71SS**  trans-87110.315256.40000108.4N150N150-S152 VanDerWaalsContact C-N 3.3Å; N150-S152 PolarHBondContact O-N 3.48Å
153K27.9Very low28.2Very low194 Ų194137 Ų13784%0.84371%0.711SS**  trans-75.6122.4155.2-71.1-179.9179.5178.20105.9
154N26.3Very low28.1Very low144 Ų144139 Ų13977%0.7771%0.713SS**  48.5108.790.5-71.75.7000110.6
155E28.2Very low28Very low151 Ų151141.1 Ų141.171%0.70672%0.72SS**  cis-145.6-168.110.9-57-167.180.500111.2
156K29.9Very low28Very low157 Ų157142.8 Ų142.868%0.68373%0.734SS**  cis-157.4-172.811.1-146.4162.2-177.2730111.8
157S26.1Very low28Very low88 Ų88134.9 Ų134.962%0.61572%0.716SS**  trans-50.5157.617160.30000115
158K30.6Very low28.1Very low182 Ų182138.2 Ų138.279%0.79173%0.728SS**  cis-165.1141.434.1-135.4152.4-177.6-179.90112
159T28.8Very low28Very low110 Ų110139.7 Ų139.768%0.67573%0.726SS**  trans23144.5142.859.50000121.8
160N28.1Very low28Very low134 Ų134144.1 Ų144.172%0.71774%0.741SS**  cis-165.3136.5-1.9-92.4-14.3000107.1
161L24Very low27.6Very low158 Ų158147.1 Ų147.183%0.82775%0.748SS**  73.7154.388.2-96.983.3000116.8
162P38.1Very low27.6Very low102 Ų102144.9 Ų144.966%0.66274%0.738SS**  -142.4-171.5-126.342.9-21.8000118.1
163Y24.9Very low27.9Very low198 Ų198146 Ų14678%0.77674%0.74SS**  trans63.9130.7150.2-102.4-64.8000122.5
164F23.9Very low28Very low183 Ų183140.8 Ų140.880%0.80373%0.729SS**  trans62156.3169.7-70.6-71.6000115.9
165Q25.1Very low28.1Very low182 Ų182144.9 Ų144.985%0.8573%0.733SS**  cis-136-165.412.5-146.1170.61500112.5
166S26Very low28.2Very low100 Ų100143.7 Ų143.770%0.69974%0.737SS**  trans-74.9158.8-165.849.40000116.8
167S27.7Very low28.2Very low85 Ų85140.3 Ų140.359%0.59473%0.732SS**  trans-41.6159.4168.853.90000116.1
168H29Very low28.3Very low159 Ų159137.5 Ų137.574%0.73671%0.713SS**  cis-160.9161.345.5-94.7-73.6000114.9
169L26.6Very low28.4Very low150 Ų150132.1 Ų132.179%0.78569%0.69SS**  trans66.7140.2161.5-9372.1000115.8
170K28.1Very low28.3Very low182 Ų182133.5 Ų133.579%0.79169%0.688SS**  cis-134.2157.216.2-66.3176.5-179.6165.80112.9
171K28.7Very low28.2Very low195 Ų195131.2 Ų131.285%0.84868%0.683SS**  trans6149.2133.7-61.9-177.2177.6-174.60119.3
172S27.5Very low28.3Very low88 Ų88131.2 Ų131.262%0.61568%0.682SS**  cis-179.1171.3-10.455.20000112.7
173T30.2Very low27.9Very low124 Ų124136.4 Ų136.476%0.76169%0.688SS**  trans66.9145.2146.144.50000121
174S30.2Very low27.8Very low85 Ų85132.7 Ų132.759%0.59468%0.678SS**  cis178.7165.2-14.556.10000115.4
175R29.6Very low28Very low229 Ų229134.7 Ų134.786%0.86468%0.68SS**  trans74.7148.6149.4-75.5160.9174.3-169.2-5.2117.9
176T29.1Very low27.8Very low127 Ų127131.3 Ų131.378%0.77968%0.677SS**  cis-144.7-171.35.4-15.70000109.2
177S29.4Very low28.5Very low85 Ų85131.9 Ų131.959%0.59468%0.678SS**  cis-153.5-165.81163.80000109.2
178S29.7Very low28.6Very low29 Ų29134.6 Ų134.620%0.20369%0.691CS.*  cis-155.1-173.87.557.10000111.5R661 S662S178-R661 WeakPolarHBondContact O-CG 3.34Å; S178-R661 PolarHBondContact OG-NE 3.37Å; S178-S662 CarbonylContact C-O 3.57Å; S178-S662 CarbonylContact O-C 3.48Å; S178-S662 PolarHBondContact O-N 3.46Å; S178-S662 PolarHBondContact O-OG 3.18Å; S178-S662 VanDerWaalsContact O-OG 3.04Å
179K31.8Very low28.4Very low70 Ų70136 Ų13630%0.30470%0.695SS.*  -157.3147.3-65.6-81.8151-173.9-70.40109.7S662 N663 E664K179-S662 CarbonylContact C-O 3.53Å; K179-S662 WeakPolarHBondContact CA-O 3.03Å; K179-S662 PolarHBondContact N-O 2.77Å; K179-N663 VanDerWaalsContact CA-N 3.31Å; K179-N663 HydrophobicContact CB-CB 4.46Å; K179-N663 HydrophobicContact CG-CB 4.22Å; K179-E664 HydrophobicContact CB-CB 4.45Å; K179-E664 VanDerWaalsContact CD-OE2 3.24Å; K179-E664 WeakPolarHBondContact CD-OE2 3.33Å; K179-E664 WeakPolarHBondContact CE-OE2 3.17Å; K179-E664 HydrophobicContact CG-CB 4.16Å; K179-E664 VanDerWaalsContact CG-OE2 3.29Å; K179-E664 WeakPolarHBondContact CG-OE2 3.44Å; K179-E664 IonicContact NZ-OE1 3.14Å; K179-E664 PolarHBondContact NZ-OE1 2.96Å; K179-E664 IonicContact NZ-OE2 3.71Å; K179-E664 PolarHBondContact NZ-OE2 2.75Å
180E27.6Very low28.5Very low138 Ų138136.1 Ų136.165%0.64570%0.695SS**  trans69.8156.2176-59.8126.3103.300120.2S662 N663E180-S662 PolarHBondContact N-O 3.27Å; E180-N663 WeakPolarHBondContact CA-O 3.27Å; E180-N663 PolarHBondContact N-O 2.82Å
181S25.4Very low28.2Very low87 Ų87134.8 Ų134.861%0.60870%0.696SS**  cis-175.4144-30.964.10000115.7
182I26.6Very low28Very low157 Ų157130.6 Ų130.681%0.80569%0.691SS**  trans66131.5145.4-60.3159.3000119.9
183R28.4Very low27.8Very low212 Ų212130.8 Ų130.880%0.870%0.698SS**  -163.4-176.361.5-155.9155.5-179.31669.1116.6
184E23Very low27.6Very low120 Ų120133 Ų13356%0.56170%0.697SS**  trans-93.1165.2-161.1-44.1146.772.500119.6
185R27.7Very low27.4Very low224 Ų224135.6 Ų135.685%0.84570%0.7SS**  trans125.1149.8137.6-74.9-179.8-175.5-165.9-2.2120.7
186S21.8Very low27.2Very low111 Ų111129.9 Ų129.978%0.77669%0.691SS**  trans-156.3-172.617362.20000108.6
187P41Very low27.1Very low113 Ų113130.7 Ų130.773%0.73469%0.686SS**  -124.6171.5-55.437.3-22.5000113.4
188V29.4Very low27Very low141 Ų141134.7 Ų134.786%0.85569%0.692SS**  trans-144.2152172.5179.70000112.4
189K23.8Very low27Very low188 Ų188139.2 Ų139.282%0.81771%0.714SS**  trans-104.3140.2172.3-62.5175.7179.8174.70112.2
190L28.7Very low26.8Very low153 Ų153141 Ų14180%0.80173%0.727SS**  trans-165.1133.9146.6-88.6131.6000106
191L21.8Very low26.8Very low154 Ų154142.9 Ų142.981%0.80673%0.729SS**  70.8132.859.1-88.2171.4000115.2
192S25.3Very low26.6Very low107 Ų107143.1 Ų143.175%0.74872%0.723SS**  trans53.6114-179.843.30000115.9
193A24.1Very low26.7Very low92 Ų92139.4 Ų139.476%0.7672%0.717SS**  cis72.813242.500000114.5
194K25.3Very low26.4Very low171 Ų171136.2 Ų136.274%0.74372%0.72SS**  trans65.8153.9-176.9-63.4173.8154.2-770114.2
195E25.3Very low26.6Very low139 Ų139134 Ų13465%0.6573%0.73SS**  cis-161.9154.1-19.7-108.1155.2177.100104
196T26.7Very low26.3Very low109 Ų109131.1 Ų131.167%0.66973%0.731SS**  -166.615755.539.30000110
197H27.2Very low26.4Very low145 Ų145132 Ų13267%0.67173%0.732SS**  trans39.5142.8135.7-55.3-45.1000121.5
198F26.4Very low25.6Very low168 Ų168136.7 Ų136.774%0.73774%0.735SS**  cis-159.5162.426.6-101.7-42.7000108
199L29.6Very low25.2Very low125 Ų125138.2 Ų138.265%0.65473%0.732SS**  cis-156.1137.112.9-112.1162000109.1
200N27.2Very low25.2Very low108 Ų108135 Ų13558%0.57873%0.734SS**  trans51.7156.1138.2-69.69.3000123.3
201Y28.7Very low24.9Very low176 Ų176136.8 Ų136.869%0.6973%0.731SS**  cis-145.1152.85.8-126.1-44.5000112.9L313Y201-L313 WeakPolarHBondContact O-CD1 3.23Å
202N20.7Very low25.1Very low92 Ų92139.4 Ų139.449%0.49274%0.736SS.*  trans-110.3120.5162.7-157.8-5.8000110.8H312 L313N202-H312 PolarHBondContact ND2-O 2.91Å; N202-L313 HydrophobicContact CB-CD1 3.73Å; N202-L313 HydrophobicContact CB-CD2 4.02Å; N202-L313 HydrophobicContact CB-CG 3.77Å
203A28Very low25Very low80 Ų80145.6 Ų145.666%0.66175%0.745SS**  trans-173.5129167.300000106.3
204V22.6Very low25.1Very low144 Ų144144.3 Ų144.387%0.87374%0.74SS**  cis60.585.638.9-168.50000112.2
205G26.5Very low25Very low75 Ų75142.5 Ų142.577%0.77374%0.744SS**  trans-159.2118.317100000110.6
206N21.3Very low25.1Very low162 Ų162142.3 Ų142.387%0.86675%0.752SS**  trans-67142.8172.2-75.1-69000110.5
207V25.1Very low25Very low130 Ų130142 Ų14279%0.78875%0.749SS**  171.6136.4122.1149.40000111.8
208R23.7Very low24.9Very low212 Ų212141 Ų14180%0.875%0.749SS**  trans47.5112.5161.8-79.8176.2164.3157.2-5120.8
209E20.9Very low24.9Very low172 Ų172141 Ų14180%0.80475%0.749SS**  26.1114.5107.2-59.3164144.200118.1
210S24.1Very low24.8Very low121 Ų121145.8 Ų145.885%0.84676%0.76SS**  -164.3145.9122.120.30000111.1
211Y22.7Very low24.8Very low191 Ų191150.1 Ų150.175%0.74977%0.774SS**  trans-71.4140.3179.9-73.2-101.3000112.1
212K25.4Very low24.7Very low208 Ų208150.3 Ų150.390%0.90478%0.78SS**  trans-160.2130.8132.1-113.4162.7-173.9175.90112.9
213Y22.4Very low24.9Very low238 Ų238155.2 Ų155.293%0.93380%0.797SS**  trans-63.7143.4165-101.1-108.5000110
214G26.2Very low24.8Very low64 Ų64156.4 Ų156.466%0.6680%0.801SS**  trans-160.361.9-173.200000114.1
215T24.5Very low24.9Very low134 Ų134157.6 Ų157.682%0.82280%0.797SS**  trans10.9113.9159.449.80000118.7
216V27.3Very low24.8Very low134 Ų134158.3 Ų158.381%0.81279%0.791SS**  trans-118.4108.5144.21790000108.7
217V23.9Very low25.1Very low102 Ų102157.6 Ų157.662%0.61879%0.785SS**  trans-79.2120.4169150.40000108.6
218N25.7Very low25.2Very low126 Ų126155.5 Ų155.567%0.67478%0.776SS**  trans-100.2137.8147.7-87.6-42.8000109K1388N218-K1388 PolarHBondContact O-NZ 3.16Å
219K26.9Very low25.5Very low168 Ų168152.4 Ų152.473%0.7378%0.775SS**  trans-137.6110.9166.2-154.9-176.6-174.4-173.20104.8K1388K219-K1388 HydrophobicContact CG-CD 4.41Å
220Y27.5Very low25.9Very low225 Ų225150.8 Ų150.888%0.88277%0.768SS**PPolyproline II helixtrans-60.4141.2176.1-93.2-85.5000109.7
221K26.8Very low25.9Very low199 Ų199150.6 Ų150.687%0.86576%0.762SS**PPolyproline II helixtrans-94.2116.2-171.7-170.5174.8-176.6177.10109.4
222E25.8Very low26.2Very low179 Ų179147.6 Ų147.684%0.83676%0.764SS**PPolyproline II helixtrans-65.5151169.8-70.7-179.913200110.7
223K25.4Very low26.4Very low195 Ų195147 Ų14785%0.84876%0.761SS**  trans-97.396.5-178.9-98.7-172.2174.2-178.60111.6
224S25.6Very low26.7Very low106 Ų106141.6 Ų141.674%0.74175%0.752SS**  trans-132.1118.4143.547.30000104.4
225Q25.1Very low26.6Very low168 Ų168142.9 Ų142.979%0.78575%0.752SS**  47.8111.652.3-66.7-176.8-80.300111.5
226S25.4Very low26.8Very low91 Ų91144.4 Ų144.464%0.63675%0.749SS**  cis-173168.52.837.60000110.1
227I27.7Very low26.8Very low147 Ų147142.9 Ų142.975%0.75475%0.745SS**  trans72.7115.5166.1-63147000112
228S25.8Very low26.9Very low85 Ų85148.7 Ų148.759%0.59476%0.755SS**  75.1152.751.3101.40000112.7
229D29.6Very low26.9Very low147 Ų147148.2 Ų148.279%0.78676%0.762SS**  cis-140.3178.4-4.7-84.7-58.8000108
230E30.1Very low27.5Very low139 Ų139145.2 Ų145.265%0.6577%0.769SS**  cis-138.5-177.17.9-156.2-172.494.400109.3K647E230-K647 IonicContact OE1-NZ 3.51Å; E230-K647 PolarHBondContact OE1-NZ 2.64Å; E230-K647 IonicContact OE2-NZ 2.76Å; E230-K647 PolarHBondContact OE2-NZ 2.93Å
231T23.9Very low27.6Very low117 Ų117139.4 Ų139.472%0.71876%0.761SS**  trans-98146.1179.9530000114.7
232T30.4Very low27.7Very low128 Ų128136 Ų13679%0.78576%0.757SS**  trans-169.9135.5159.111.40000108.4
233K29.6Very low28.1Very low194 Ų194132.9 Ų132.984%0.84375%0.752SS**  55.313758.5-74.3-178.5-179.8174.60113.5
234V26.9Very low28.1Very low125 Ų125129 Ų12976%0.75875%0.75SS**  cis-170.8156.4-24.7108.70000107.4
235S25.5Very low28.4Very low92 Ų92135.2 Ų135.264%0.64376%0.757SS**  trans57122.3161.664.80000123.7
236Q27.8Very low28.7Very low166 Ų166136.2 Ų136.278%0.77676%0.759SS**  66.6101.1124.7-62.6-179.60.100123.4
237S28.5Very low28.8Very low102 Ų102137.8 Ų137.871%0.71376%0.759SS**  22.5132.4115.862.90000122.6
238R25.6Very low28.9Very low223 Ų223136.5 Ų136.584%0.84276%0.761SS**  trans-171161.1150.8-98.5145.2-168.8-150.13108.3
239S25.8Very low29Very low117 Ų117139.5 Ų139.582%0.81877%0.765SS**  cis-160.9157.4-1.137.10000108.1
240A39.2Very low28.9Very low105 Ų105137.8 Ų137.887%0.86876%0.756SS**  -165.5-170.279.900000112.5
241S29.4Very low28.8Very low103 Ų103138.6 Ų138.672%0.7276%0.76SS**  trans-134136.3-147.557.80000118.5
242T29.2Very low29.1Very low127 Ų127140 Ų14078%0.77976%0.758SS**  trans30.6143.6137.557.10000121.1
243P32.9Very low29.1Very low114 Ų114140.7 Ų140.774%0.7475%0.75SS**  -158.5179.151.145.4-24.6000120.7
244S26.7Very low29.1Very low114 Ų114135.7 Ų135.780%0.79774%0.74SS**  trans78.5112.8142.7-70.10000124.2
245R30.7Very low29.2Very low236 Ų236135.4 Ų135.489%0.89174%0.738SS**  124.7139.3115.1-145177.8-168.7172.34.9117.3
246K31.2Very low29.5Very low188 Ų188138.9 Ų138.982%0.81774%0.742SS**  trans77.477.4171-62.7-155.7174.3-171.50118.7
247L28.9Very low29.4Very low124 Ų124137.4 Ų137.465%0.64974%0.739SS**  -47.4163.7128.9-89.6149.1000112.3
248P29.8Very low29.6Very low121 Ų121137 Ų13779%0.78674%0.742SS**SBend-116.5128.6109.633.1-32.8000111.5
249Q27.4Very low29.7Very low147 Ų147134.3 Ų134.369%0.68774%0.739SS**SBendcis-147.2141.8-10.4-117.7-177.6-100.200108.3
250D27.8Very low29.7Very low111 Ų111136.8 Ų136.859%0.59474%0.735SS**  trans59.2134.1150.4-45.9-23.5000119.3
251E28.1Very low29.2Very low156 Ų156138.1 Ų138.173%0.72972%0.724SS**  cis-155.7144.1-5.9-96.5-177.6142.600107.3
252E29.8Very low29.2Very low146 Ų146139.7 Ų139.768%0.68272%0.718SS**  69.5133.565.4-74.9-125.485.800114.6
253K31Very low29Very low144 Ų144139.2 Ų139.263%0.62670%0.702SS**  cis-159.2-172.717.8-83.6140.2-172106.70110.9
254S28.5Very low28.7Very low89 Ų89139.5 Ų139.562%0.62269%0.693SS**  -173.8132.2-63.864.60000115.5
255T29.6Very low28.6Very low118 Ų118141.5 Ų141.572%0.72469%0.69SS**  trans71.917215771.90000120.6
256K30.5Very low29Very low166 Ų166135.4 Ų135.472%0.72268%0.681SS**  cis-167.2157.54.2-126.9155.5-162.2169.70114.5
257N26.6Very low28.6Very low134 Ų134134.1 Ų134.172%0.71768%0.678SS**  trans61.3141.6145.2-65.1-10.2000127
258A31.6Very low28.3Very low93 Ų93134.8 Ų134.877%0.76968%0.682SS**  146.6113.8119.800000119.8
259E28.1Very low27.9Very low167 Ų167133.6 Ų133.678%0.7868%0.676SS**  trans45134.3133.5-67.3-174.8131.600129.6
260F26.5Very low27.7Very low169 Ų169131.6 Ų131.674%0.74168%0.678SS**  trans54.5157.4146.4-66.2-59.4000121.7
261Q27.9Very low27.5Very low133 Ų133131.1 Ų131.162%0.62168%0.684SS**  cis-163.5155.86.2-127.3171.15800111.1
262K29.8Very low27.3Very low137 Ų137132.3 Ų132.360%0.59669%0.689SS**  trans90.4-172.2157.3-66.9154.8176.4150.70122.9
263Y25.7Very low27.2Very low116 Ų116132.6 Ų132.646%0.45569%0.694SS.*  trans-144.3-166.3-130-52.8134000116.7C643 N644 I645Y263-C643 WeakPolarHBondContact O-CB 3.34Å; Y263-C643 PolarHBondContact O-SG 3.44Å; Y263-N644 WeakPolarHBondContact CD1-OD1 3.24Å; Y263-I645 HydrophobicContact CD1-CB 3.74Å; Y263-I645 HydrophobicContact CD1-CG2 3.31Å; Y263-I645 HydrophobicContact CD2-CB 3.91Å; Y263-I645 HydrophobicContact CD2-CD1 3.3Å; Y263-I645 HydrophobicContact CD2-CG1 4.18Å; Y263-I645 HydrophobicContact CD2-CG2 3.91Å; Y263-I645 HydrophobicContact CE1-CB 4.32Å; Y263-I645 HydrophobicContact CE1-CG2 3.42Å; Y263-I645 VanDerWaalsContact CE1-CG2 3.42Å; Y263-I645 HydrophobicContact CE2-CB 4.49Å; Y263-I645 HydrophobicContact CE2-CD1 3.77Å; Y263-I645 HydrophobicContact CE2-CG2 4.03Å; Y263-I645 HydrophobicContact CG-CB 3.51Å; Y263-I645 HydrophobicContact CG-CD1 3.84Å; Y263-I645 HydrophobicContact CG-CG1 4.25Å; Y263-I645 HydrophobicContact CG-CG2 3.57Å
264H27.2Very low27.2Very low120 Ų120133.2 Ų133.256%0.55670%0.696SS**  cis-143.5-164.128.5-136.6-33000115.4C643 N644 I645H264-C643 PolarHBondContact CD2-O 2.83Å; H264-C643 VanDerWaalsContact CD2-O 3.26Å; H264-N644 VanDerWaalsContact CB-C 3.45Å; H264-N644 WeakPolarHBondContact CB-O 3.4Å; H264-N644 WeakPolarHBondContact CD2-CA 3.39Å; H264-N644 WeakPolarHBondContact CD2-CB 3.22Å; H264-N644 PolarHBondContact CD2-N 2.96Å; H264-N644 PolarHBondContact CD2-O 3.47Å; H264-N644 PolarHBondContact CE1-O 2.78Å; H264-N644 PolarHBondContact ND1-O 2.79Å; H264-N644 WeakPolarHBondContact NE2-CA 3.09Å; H264-N644 WeakPolarHBondContact NE2-CB 3.19Å; H264-N644 PolarHBondContact NE2-O 3.46Å; H264-I645 WeakPolarHBondContact CE1-CA 3.29Å; H264-I645 PolarHBondContact CE1-N 3.36Å; H264-I645 PolarHBondContact CE1-O 3.03Å; H264-I645 VanDerWaalsContact CE1-O 3.27Å; H264-I645 VanDerWaalsContact CG-N 3.31Å; H264-I645 WeakPolarHBondContact ND1-CA 3.33Å; H264-I645 PolarHBondContact ND1-N 3.02Å; H264-I645 PolarHBondContact NE2-N 3.32Å; H264-I645 VanDerWaalsContact NE2-N 3.13Å
265E23.9Very low27.6Very low157 Ų157134.5 Ų134.573%0.73470%0.703SS**  trans-134.2178.4155.7-82.5-164.5118.800109.1N644E265-N644 VanDerWaalsContact O-O 3.05Å
266P39.7Very low27.3Very low107 Ų107134.6 Ų134.670%0.69570%0.695SS**  cis-131.8-165.7-27.630.2-7.4000113.4
267Q22.1Very low27.2Very low162 Ų162135.5 Ų135.576%0.75770%0.702SS**  trans117.6141.8153.1-69.7-72.210.900120.9
268L23.5Very low27.2Very low138 Ų138131.9 Ų131.972%0.72369%0.691SS**  trans43.9110.2150.3-79.7163.2000124.1
269S21.1Very low26.9Very low95 Ų95135 Ų13566%0.66469%0.694SS**  60.6138.9125700000124.5
270S22.1Very low26.8Very low106 Ų106133.8 Ų133.874%0.74169%0.686SS**  trans84.8154.3149.183.80000119.8
271S24.2Very low26.9Very low101 Ų101132.9 Ų132.971%0.70669%0.688SS**  trans66.9128.3-179.4-43.10000114.5
272Q23.8Very low27.1Very low180 Ų180133 Ų13384%0.84169%0.692SS**  cis67.2154.948.7-62-166.9-9.800114.3
273I27.1Very low27.2Very low153 Ų153134.4 Ų134.479%0.78570%0.698SS**  trans68.997.6-175.6-48.2170.4000110.7
274K31.3Very low27.4Very low156 Ų156135.4 Ų135.468%0.67871%0.711SS**  cis59.377.735.7-147.7-163.5-172.5-152.50114.2H276K274-H276 WeakPolarHBondContact CE-NE2 3.38Å; K274-H276 PolarHBondContact NZ-NE2 2.98Å
275P36.6Very low27.3Very low117 Ų117132.9 Ų132.976%0.7672%0.718SS**  trans-82.7133.5140.8-4.223.3000108.8
276H23.3Very low27.8Very low119 Ų119132 Ų13255%0.55172%0.718SS**  cis46.4101.513.2-73.5-60.5000112.3K274K274-H276 WeakPolarHBondContact CE-NE2 3.38Å; K274-H276 PolarHBondContact NZ-NE2 2.98Å
277E29.9Very low27.2Very low186 Ų186133.8 Ų133.887%0.86972%0.722SS**  cis-131.2143.942.5-70.2163.8134.400111.5
278A26.1Very low27.7Very low58 Ų58131.3 Ų131.348%0.47972%0.718SS.*  cis76.7102.931.200000115
279N25.3Very low27.9Very low157 Ų157131 Ų13184%0.8471%0.713SS**  trans70139.1157.8-45.5-35.5000115.4
280K25.4Very low28.2Very low143 Ų143131.3 Ų131.362%0.62271%0.711SS**  cis-144.6-175.735.9-77.5179.8173.6177.90112.4D625K280-D625 IonicContact NZ-OD1 2.7Å; K280-D625 PolarHBondContact NZ-OD1 3.2Å; K280-D625 IonicContact NZ-OD2 2.65Å
281L28.7Very low28.4Very low150 Ų150132.7 Ų132.779%0.78571%0.709SS**  trans82.6126.6171.7-48176.3000112.4
282I31.9Very low28.5Very low136 Ų136132 Ų13270%0.69771%0.705SS**  cis-149.4139.1-2.3-135.9161.8000112
283K31.9Very low28.7Very low166 Ų166131.9 Ų131.972%0.72270%0.701SS**  trans40.9144.3145.3-80.3-176170.2-164.90123.3
284D29.5Very low28.8Very low137 Ų137133.3 Ų133.373%0.73370%0.702SS**  trans54.8113.8139.4-46.6-14.4000117.6
285G26.8Very low28.5Very low67 Ų67131 Ų13169%0.69170%0.697SS**  cis90.380.111.400000112.6
286N32.6Very low28.2Very low137 Ų137133.4 Ų133.473%0.73370%0.698SS**  trans49.7119.4153.5-57.9-23000119.9
287N28.1Very low28.3Very low145 Ų145136.2 Ų136.278%0.77572%0.716SS**  -157.3150125.8-95.4-35.8000109.1
288T31.6Very low28.1Very low110 Ų110135.2 Ų135.268%0.67571%0.711SS**  cis-140.6140.3-1.41.60000106.2
289Q27.8Very low28.2Very low132 Ų132139 Ų13962%0.61772%0.723SS**  cis60.9120.737.8-85-152.413.500115.7
290T28Very low28.2Very low102 Ų102137.9 Ų137.963%0.62672%0.722SS**  84.2167.4127.863.90000121.1
291L25.7Very low28.2Very low134 Ų134138 Ų13870%0.70273%0.728SS**  cis-151.81333.1-125.4145.1000112.1
292S27.6Very low27.9Very low88 Ų88135.9 Ų135.962%0.61573%0.726SS**  trans69.1173.8137.876.50000121
293K27.3Very low28Very low176 Ų176134.8 Ų134.877%0.76573%0.728SS**  cis-161.713619.4-146.1162.4-168.8175.70113.6
294K28.5Very low27.6Very low184 Ų184132.8 Ų132.880%0.873%0.734SS**  trans59.6164.4158.5-77.2-174.8161.4-142.60117.6
295N26.2Very low27.5Very low107 Ų107134.2 Ų134.257%0.57274%0.74SS**  cis-137.1-1544.5-134.722.8000112.2
296E29.2Very low27.5Very low168 Ų168138.6 Ų138.679%0.78575%0.746SS**  trans-98.9159.5-157.4-54.5162.1118.700117.3
297L27.2Very low27Very low178 Ų178137.5 Ų137.593%0.93275%0.749SS**  trans-168.5171.3130.2-109.6170.4000113.2
298Q24.9Very low26.8Very low164 Ų164139.3 Ų139.377%0.76675%0.753SS**  trans-116.4152.4-163.1-65.8-172.4100117
299N27.5Very low26.4Very low137 Ų137145.2 Ų145.273%0.73376%0.763SS**  trans33.1125.4139.2-59.5-29.6000122.3
300V25.9Very low26.3Very low135 Ų135145.2 Ų145.282%0.81877%0.772SS**  -146.1113.9127.2178.20000111.4
301I24.5Very low26.2Very low144 Ų144147.1 Ų147.174%0.73878%0.778SS**  trans26.1108.4133.4-51.4177.1000116.3
302S23Very low26.2Very low107 Ų107147.4 Ų147.475%0.74878%0.776SS**  67.7159.376.8-59.20000116.3
303P33.5Very low26.1Very low113 Ų113148 Ų14873%0.73477%0.772SS**  cis-134.5178.7-28.636.5-18.7000114.2
304S24.5Very low26.2Very low123 Ų123146 Ų14686%0.8677%0.769SS**  trans-148.4136.5156.7-73.10000110.4
305I28.1Very low26.1Very low168 Ų168143.6 Ų143.686%0.86276%0.764SS**  trans-95131.3-174.1-64.1171.9000110
306I26.1Very low26Very low158 Ų158143.1 Ų143.181%0.8178%0.775SS**  trans-130.5144168.3-69.8-178.9000108.6
307S21.5Very low25.8Very low114 Ų114139.6 Ų139.680%0.79777%0.768SS**  trans-70.7136.8177.9-174.40000112.1
308Q25.1Very low25.7Very low183 Ų183140.6 Ų140.686%0.85577%0.766SS**  trans-137.9121.3159.6-79-167.9-27.300111
309R22.7Very low25.6Very low235 Ų235140.5 Ų140.589%0.88777%0.77SS**  trans-87.9136139.8-87178.8163.4176-6.4107.2
310T25.1Very low25.4Very low131 Ų131137.9 Ų137.980%0.80477%0.767SS**  -179.6126.5121.632.80000108.7
311D25.1Very low25.5Very low143 Ų143138.1 Ų138.177%0.76577%0.769SS**  trans-73.9156.7170.7-50.4-90000111.5
312H27.3Very low25.5Very low140 Ų140136.2 Ų136.265%0.64877%0.768SS**  176.4125.4120.7-103.5-72.7000113.1N202N202-H312 PolarHBondContact ND2-O 2.91Å
313L25Very low25.5Very low100 Ų100136.1 Ų136.152%0.52477%0.767SS.*  trans-170.2142.2142.7-90-161000107.7Y201 N202Y201-L313 WeakPolarHBondContact O-CD1 3.23Å; N202-L313 HydrophobicContact CB-CD1 3.73Å; N202-L313 HydrophobicContact CB-CD2 4.02Å; N202-L313 HydrophobicContact CB-CG 3.77Å
314N29.3Very low25.1Very low134 Ų134135.2 Ų135.272%0.71776%0.763SS**  cis-146.9163.6-18.4-156.20.6000108.9
315I25.4Very low25.2Very low134 Ų134136 Ų13669%0.68776%0.757SS**  trans-109.1136-173.6-71.1175.1000112.1
316A24.9Very low24.9Very low97 Ų97134 Ų13480%0.80275%0.753SS**  trans63.8160.6168.300000115.8
317S24.9Very low25.2Very low93 Ų93132 Ų13265%0.6575%0.751SS**  cis-138.61577.152.30000108.5
318F24.8Very low25.2Very low199 Ų199132.2 Ų132.287%0.87375%0.747SS**  -144140.558.1-113.1-107.4000115
319L23.3Very low25Very low163 Ų163134.4 Ų134.485%0.85375%0.748SS**  trans-67.7164.9153.5-59154.6000108.2
320A23.6Very low25Very low81 Ų81128.2 Ų128.267%0.66974%0.741SS**  cis-147.2172.55.400000108
321T28.9Very low25Very low140 Ų140128 Ų12886%0.85974%0.739SS**  -159.614774.127.90000112.8
322S24Very low25Very low104 Ų104127.5 Ų127.573%0.72774%0.737SS**  trans-62.7163.6164.660.60000111.4
323C23.1Very low25.1Very low106 Ų106127 Ų12772%0.71675%0.746SS**  cis-170.6172.341.3-149.90000114.5
324S24.9Very low25.1Very low94 Ų94128.6 Ų128.666%0.65775%0.753SS**  trans80125.2147.467.40000122
325N26.1Very low25.5Very low139 Ų139127 Ų12774%0.74375%0.751SS**  trans83.594.6136.5-6719.4000121.4
326T22.8Very low25.4Very low127 Ų127127.3 Ų127.378%0.77975%0.752SS**  51.6138.5119.652.90000121.3
327P30.8Very low25.4Very low116 Ų116129.2 Ų129.275%0.75375%0.749SS**  trans-87.7155.1-164.636-37.4000114.8
328T21.4Very low25.7Very low117 Ų117130.7 Ų130.772%0.71875%0.753SS**  trans-154.3130.4131-6.70000112.4
329W22.1Very low25.8Very low229 Ų229128 Ų12887%0.86775%0.747SS**  trans46.4128.4151.3-60.6-19.6000123
330S22.1Very low26.1Very low106 Ų106125 Ų12574%0.74174%0.736SS**  trans76.4139.9133.877.30000118.3
331T25Very low26.3Very low126 Ų126128 Ų12877%0.77374%0.741SS**  cis-154.4159.7-15.43.90000108.7P333T331-P333 WeakPolarHBondContact O-CD 3.13Å
332N25.5Very low26.4Very low133 Ų133126.5 Ų126.571%0.71174%0.736SS**  trans-55144.4166.2-68.5-26.2000111.3I334N332-I334 HydrophobicContact CB-CG1 4.04Å
333P28.7Very low26.7Very low130 Ų130126.3 Ų126.384%0.84474%0.735SS**  -12982.2122.136.4-29.5000112.6T331T331-P333 WeakPolarHBondContact O-CD 3.13Å
334I25.9Very low27Very low132 Ų132127.7 Ų127.768%0.67774%0.74SS**  trans-82.8170.8135.218.9171.9000107.4N332N332-I334 HydrophobicContact CB-CG1 4.04Å
335P36.9Very low27.1Very low102 Ų102127.6 Ų127.666%0.66275%0.745SS**  cis-137.4-149.94.522.85.7000112.7
336I24.2Very low27Very low139 Ų139132 Ų13271%0.71375%0.751SS**  trans88.1126.1152-61.5166.8000115.7
337N25Very low27Very low137 Ų137133.5 Ų133.573%0.73375%0.754SS**  cis-167168.2-20.7-107.3-12.3000107.5
338V29.9Very low26.7Very low124 Ų124133 Ų13375%0.75275%0.751SS**  -177.3123.7128.2141.70000109.9
339L27Very low27Very low142 Ų142134.1 Ų134.174%0.74375%0.753SS**  trans30.6142.2142.6-52.3170.7000119.9
340T30.4Very low27.2Very low102 Ų102130.4 Ų130.463%0.62675%0.75SS**  cis-159.5149.618.2-9.40000111.2
341N27.7Very low27.5Very low143 Ų143131.3 Ų131.377%0.76575%0.75SS**  38.7144.5128.6-62.96.4000120.5
342S30.4Very low27.5Very low108 Ų108132.7 Ų132.776%0.75575%0.753SS**  cis-159.5-173.70.4540000107.2
343S30.9Very low28.2Very low101 Ų101131.3 Ų131.371%0.70675%0.751SS**  cis-162.8167.8-0.121.30000105.4
344V30Very low28.3Very low134 Ų134130.7 Ų130.781%0.81275%0.746SS**  cis-130.1112.818.7177.20000106
345A27Very low28.5Very low93 Ų93130.8 Ų130.877%0.76975%0.748SS**  74.2135.37400000114
346R23.6Very low28.2Very low230 Ų230130.2 Ų130.287%0.86875%0.751SS**  trans-143147.3-170.4-107.7-170.4179.5-168.81.7109.6
347L23.3Very low28.5Very low160 Ų160131.7 Ų131.784%0.83875%0.753SS**  trans64.4167.7152.5-94.166.9000119.1
348C24.7Very low28.7Very low104 Ų104131.8 Ų131.870%0.70375%0.753SS**  trans-110.7148.3-165-55.10000112.4
349D26.1Very low28.8Very low141 Ų141129.7 Ų129.775%0.75474%0.744SS**  trans45.3133.7132.1-43.3-22000121.6
350L26.9Very low28.9Very low152 Ų152129.1 Ų129.180%0.79674%0.742SS**  -176.8137.996.3-92.7164000114.7
351T27.9Very low29Very low124 Ų124131.4 Ų131.476%0.76174%0.743SS**  trans74.3126.1150.448.90000123.7
352D25.4Very low29.1Very low155 Ų155132 Ų13283%0.82974%0.741SS**  trans-95.9-144.2171.3-42.5-90.3000110.7
353P41Very low29Very low104 Ų104131 Ų13168%0.67573%0.734SS**  cis-142.7155.1-4.231.3-6.1000120.7
354T30.2Very low28.8Very low118 Ų118133.3 Ų133.372%0.72474%0.738SS**  trans60.7157.2133.967.10000124
355D29.9Very low28.6Very low134 Ų134131.9 Ų131.972%0.71773%0.729SS**  cis-168.5176.8-19.2-103.8-10.8000114.5
356A31Very low28.5Very low89 Ų89134.5 Ų134.574%0.73673%0.73SS**  trans95.4143.814000000122.1
357F29.6Very low28.5Very low171 Ų171129.2 Ų129.275%0.7572%0.719SS**  cis-169.1175.8-28.5-128.8-79.9000111.1
358N30.5Very low28.7Very low139 Ų139127.4 Ų127.474%0.74371%0.71SS**  trans84.7145.2154.1-73.9-23.8000120.6
359S31.2Very low28.7Very low80 Ų80131.7 Ų131.756%0.55971%0.713SS**  cis-171.5171.5-10.850.70000114.5
360N29Very low28.9Very low129 Ų129131.5 Ų131.569%0.6971%0.71SS**  trans90141.5153.4-60.2-36.4000119.2
361K32.7Very low29Very low151 Ų151130.1 Ų130.166%0.65770%0.704SS**  cis-165.3144.2-4.5-120.2170.9173.3-168.70114.4
362Q30.4Very low29Very low156 Ų156129.6 Ų129.673%0.72970%0.696SS**  trans59151.5137.4-75.6169.9-36.500121.7
363S27.1Very low29.2Very low86 Ų86127 Ų12760%0.60168%0.683SS**  cis-179.2170-17.250.40000113.8
364L27.4Very low28.6Very low150 Ų150128.9 Ų128.979%0.78569%0.686SS**  trans82.6143.9159.1-58.2177.7000118.2
365T25.8Very low28.5Very low103 Ų103130.1 Ų130.163%0.63269%0.688SS**  cis178.1140.4-37.926.60000109
366L25.1Very low28.4Very low148 Ų148131.9 Ų131.978%0.77569%0.692SS**  trans63.3156.6153.8-88.254.8000117.2
367D24.1Very low28.4Very low119 Ų119134.4 Ų134.464%0.63669%0.692SS**  cis-157.2179.12.8-136.7-28000113.6
368N26.5Very low28.3Very low123 Ų123131.1 Ų131.166%0.65869%0.687SS**  trans75.4145.4154.8-63.7-25.1000119.8
369Y25.1Very low28.1Very low193 Ų193131.8 Ų131.876%0.75769%0.685SS**  cis-166.6174.3-9.1-130.2-145.4000110.4
370I30.3Very low28Very low138 Ų138134.9 Ų134.971%0.70870%0.695SS**  trans68.1128.5155.3-72.9160.6000116.7
371N28.2Very low27.8Very low123 Ų123135.9 Ų135.966%0.65870%0.695SS**  cis-149.4153.2-3.3-92.4-4000107.2
372N28.4Very low27.3Very low113 Ų113133.3 Ų133.360%0.60470%0.697SS**  67.3133.854-71.861.3000112.9
373D29.4Very low26.9Very low101 Ų101132 Ų13254%0.5470%0.699SS.*  cis-159.7-175.95.7-100.1-27.8000113.2S584D373-S584 PolarHBondContact O-OG 3.26Å
374L29.2Very low26.7Very low143 Ų143138.3 Ų138.375%0.74971%0.711SS**  trans78.2119.2176.6-83.458.2000115.6
375D27.1Very low26.7Very low144 Ų144136.8 Ų136.877%0.7771%0.713SS**  8514459.6-67.6-41.8000112.5
376E28.7Very low26.6Very low170 Ų170140 Ų14079%0.79472%0.721SS**  cis-148-178.616.4-149.4-179.8179.600112.1
377L29.9Very low26.7Very low142 Ų142139.5 Ų139.574%0.74372%0.717SS**  trans68.477.3167.6-70.1166.9000118.6
378T28.7Very low26.8Very low103 Ų103139.3 Ų139.363%0.63272%0.72SS**  15.4131.8125.754.80000118.5
379Q26.6Very low26.8Very low152 Ų152140.5 Ų140.571%0.7172%0.722SS**  57.5146.363.2-54.7176.312.300112.2
380L28Very low26.9Very low146 Ų146137.9 Ų137.976%0.76471%0.714SS**  cis-147.9164.835.2-75.1162.8000109.4
381Q26Very low26.9Very low149 Ų149137.4 Ų137.470%0.69671%0.709SS**  cis-166.3143.5-24.2-17584.2-21.400105.5
382S21.1Very low26.8Very low98 Ų98139 Ų13969%0.68571%0.71SS**  trans-98.9165.2170.558.90000111.8
383V23.1Very low26.7Very low127 Ų127137.2 Ų137.277%0.7771%0.706SS**SBendtrans75.1125.9164.2-172.70000117.7
384Y21.9Very low26.6Very low219 Ų219139.9 Ų139.986%0.85971%0.713SS**  trans-9.1131.1151.7-82.1-105.9000118.3
385S27.2Very low26.5Very low118 Ų118139.5 Ų139.583%0.82571%0.707SS**  trans-112.2124.7148.2-67.50000110.1
386Q23.8Very low26.5Very low171 Ų171141.6 Ų141.680%0.79971%0.71SS**  trans-63163.7148.2-58.3173.76.900107.2
387I27.1Very low26.3Very low138 Ų138141.9 Ų141.971%0.70871%0.705SS**  -169.1154.863-76.6-178.5000107.5
388T26.8Very low26.1Very low114 Ų114142.1 Ų142.170%0.69971%0.707SS**  trans56.3112.5169.947.30000118.2
389H26Very low26.1Very low148 Ų148143.9 Ų143.969%0.68571%0.712SS**  58.7134.177-73.6-1.8000114.3
390K28.2Very low26.6Very low138 Ų138141.7 Ų141.760%0.671%0.711SS**  cis-172.3149.77.3-115.9165.1170.31540109.5
391Q28.5Very low26.5Very low128 Ų128142 Ų14260%0.59871%0.713SS**  trans74.1149.9138.9-72.3-172.173.300118.2
392K27.2Very low26.6Very low158 Ų158137.6 Ų137.669%0.68770%0.699SS**  cis155168.7-4.4-105.5-175.3-154.7155.60103.5
393S26.7Very low27Very low74 Ų74138 Ų13852%0.51769%0.694SS.*  cis169.8173.4-21.2600000108.8
394K27.3Very low27.4Very low158 Ų158135.4 Ų135.469%0.68768%0.681SS**  trans75157.8160.8-60164179.1-172.70116.5
395Q27.2Very low27.6Very low134 Ų134128.5 Ų128.563%0.62667%0.669SS**  cis-164.3162.2-21-102.4176.9-72.900106.6Y397Q395-Y397 HydrophobicContact CG-CD2 4.08Å
396K26.8Very low27.6Very low189 Ų189126.6 Ų126.682%0.82266%0.661SS**  cis-126.9176.528.1-39.192.2172.5-178.90109.9
397Y23.7Very low27.9Very low175 Ų175123.4 Ų123.469%0.68666%0.657SS**  cis83.6105.115-77-79000119.7Q395 L399Q395-Y397 HydrophobicContact CG-CD2 4.08Å; Y397-L399 HydrophobicContact CD1-CD1 4.2Å
398N26.7Very low28.4Very low148 Ų148122.5 Ų122.579%0.79166%0.663SS**  164.4116.3129.3-78.6-3.1000108.7
399L27.4Very low28.7Very low140 Ų140124.2 Ų124.273%0.73367%0.667SS**  87.2150.961-92.678.1000114.2Y397Y397-L399 HydrophobicContact CD1-CD1 4.2Å
400P38.9Very low28.7Very low106 Ų106121.6 Ų121.669%0.68867%0.665SS**  cis-147.2-170.8-40.942.2-22.6000116.9
401N25.6Very low28.6Very low152 Ų152117.4 Ų117.481%0.81366%0.656SS**  trans100144.5153-80.115.1000126.3
402S28.2Very low28.5Very low57 Ų57112.8 Ų112.840%0.39964%0.643SS.*  trans76.2151.4162.668.50000121.6D413S402-D413 WeakPolarHBondContact CB-OD1 3.22Å
403N29.7Very low28.5Very low107 Ų107110.5 Ų110.557%0.57264%0.639SS**  trans-108.6-63.2-132.2-62.4-2.1000122A411N403-A411 VanDerWaalsContact C-C 3.45Å; N403-A411 VanDerWaalsContact C-CA 3.45Å; N403-A411 VanDerWaalsContact O-CA 3.32Å; N403-A411 WeakPolarHBondContact O-CA 3.38Å; N403-A411 PolarHBondContact O-N 3Å
404S29.7Very low28.9Very low71 Ų71113.3 Ų113.350%0.49765%0.648SS.*  trans-91.6-101.3-15280.60000121S410 A411 G412 D413S404-S410 CarbonylContact O-C 3.57Å; S404-A411 CarbonylContact C-O 3.58Å; S404-A411 VanDerWaalsContact C-O 3.26Å; S404-A411 PolarHBondContact O-N 2.89Å; S404-A411 VanDerWaalsContact O-N 3.07Å; S404-G412 WeakPolarHBondContact CB-O 3.48Å; S404-G412 PolarHBondContact N-O 3.11Å; S404-G412 PolarHBondContact OG-O 3.35Å; S404-D413 PolarHBondContact OG-O 2.92Å
405A27.3Very low29Very low75 Ų75116.6 Ų116.662%0.6266%0.656SS**  trans-106.3136.4-139.600000118.4A411A405-A411 PolarHBondContact N-O 3.43Å
406A26.1Very low29.1Very low78 Ų78115.6 Ų115.665%0.64566%0.659SS**  trans11.5124.1160.200000119.1
407S29.9Very low29.1Very low103 Ų103116 Ų11672%0.7266%0.661SS**SBendcis-156.115418.755.20000111.6
408S38Very low29.2Very low119 Ų119112.7 Ų112.783%0.83266%0.663SS**SBendcis-132.5101.22053.20000113.2
409L33.7Very low29.2Very low151 Ų151112.5 Ų112.579%0.79166%0.662SS**SBendcis-138.269.6-2.7-71.8165.7000108.9
410S26.7Very low29Very low93 Ų93111.3 Ų111.365%0.6567%0.665SS**  trans-165.9156.3-167.7-172.70000114.2S404S404-S410 CarbonylContact O-C 3.57Å
411A25.3Very low28.3Very low49 Ų49109.7 Ų109.741%0.40567%0.667SS.*  trans82.5153.6163.800000119.4N403 S404 A405N403-A411 VanDerWaalsContact C-C 3.45Å; N403-A411 VanDerWaalsContact C-CA 3.45Å; N403-A411 VanDerWaalsContact O-CA 3.32Å; N403-A411 WeakPolarHBondContact O-CA 3.38Å; N403-A411 PolarHBondContact O-N 3Å; S404-A411 CarbonylContact C-O 3.58Å; S404-A411 VanDerWaalsContact C-O 3.26Å; S404-A411 PolarHBondContact O-N 2.89Å; S404-A411 VanDerWaalsContact O-N 3.07Å; A405-A411 PolarHBondContact N-O 3.43Å
412G26.6Very low28.3Very low32 Ų32111.1 Ų111.133%0.3367%0.673SS.*  trans109.288.7178.100000118.1S404S404-G412 WeakPolarHBondContact CB-O 3.48Å; S404-G412 PolarHBondContact N-O 3.11Å; S404-G412 PolarHBondContact OG-O 3.35Å
413D26.8Very low28.1Very low110 Ų110113.1 Ų113.159%0.58869%0.687SS**  trans41.5159.3161.2-62.5-64.2000126.7S402 S404S402-D413 WeakPolarHBondContact CB-OD1 3.22Å; S404-D413 PolarHBondContact OG-O 2.92Å
414D34.8Very low27.9Very low133 Ų133113.3 Ų113.371%0.71170%0.697SS**  trans-159.4126.9172.4169.626.2000109.4
415R29.7Very low27.8Very low227 Ų227115.3 Ų115.386%0.85771%0.711SS**  trans-158.5114.5175.1-90.1-156.2179.6178.10.4116.7
416T29.1Very low27.9Very low112 Ų112117.4 Ų117.469%0.68772%0.721SS**  trans59.7113.9133.959.60000122.8
417F27.7Very low28Very low197 Ų197121.3 Ų121.386%0.86472%0.72SS**  45.4116.7129.2-81.8-96.1000120.7
418C24.6Very low27.9Very low107 Ų107120 Ų12072%0.72371%0.711SS**  -172.2168.997.6-100.90000112.9
419D26.6Very low27.5Very low144 Ų144120.5 Ų120.577%0.7770%0.698SS**  trans55.9126.7170.2-57.2-34.9000120.5
420S23.8Very low27.3Very low115 Ų115120.6 Ų120.680%0.80470%0.699SS**  cis87.447.231.3-51.20000116.5
421G23.7Very low27.4Very low71 Ų71121.3 Ų121.373%0.73270%0.704SS**  trans84.1141.2141.400000119
422I27.3Very low27.6Very low182 Ų182123.4 Ų123.493%0.93372%0.721SS**  trans-154.9158.6135.2-97.4149.4000106.5
423S23.4Very low27.7Very low99 Ų99127.5 Ų127.569%0.69274%0.744SS**  trans-99152.5-158.354.80000116.7
424S24.7Very low27.8Very low111 Ų111128.6 Ų128.678%0.77675%0.754SS**  trans64.6108.7140.860.70000121.4
425S27.5Very low27.4Very low114 Ų114127.4 Ų127.480%0.79776%0.757SS**  trans-170.415016454.90000109.4
426S29.8Very low27.5Very low119 Ų119122.9 Ų122.983%0.83276%0.757SS**  cis-164.7169.1-13.2-83.50000109
427Y27.4Very low27.3Very low160 Ų160122.7 Ų122.763%0.62776%0.76SS**  trans-91.2178.6174.6-101.4-69.5000114.1A441 Y442Y427-A441 WeakPolarHBondContact CD1-O 3.42Å; Y427-A441 HydrophobicContact CE1-CB 4.4Å; Y427-A441 WeakPolarHBondContact CE1-O 2.99Å; Y427-A441 WeakPolarHBondContact CE2-O 3.41Å; Y427-Y442 HydrophobicContact CE2-CD2 4.09Å
428S29.4Very low27.2Very low74 Ų74120.1 Ų120.152%0.51776%0.755SS.*  trans-102163.7-142-40.10000118.9
429K29.1Very low27.6Very low130 Ų130119.6 Ų119.657%0.56575%0.75SS**  trans66.1123.4148.1-73.4166.9-173.21720120.1P439 N440K429-P439 PolarHBondContact NZ-O 2.88Å; K429-N440 PolarHBondContact NZ-OD1 2.71Å
430D29.8Very low27.7Very low154 Ų154118.6 Ų118.682%0.82475%0.745SS**  -149.9-176.5100.4-142-36.8000111.5
431S28.7Very low28Very low107 Ų107115.2 Ų115.275%0.74872%0.724SS**  trans-97.4126-144.441.30000117.3
432A29.5Very low28.3Very low93 Ų93120.9 Ų120.977%0.76973%0.725SS**  trans-159.4157.5148.100000110.3
433C29.2Very low28.4Very low119 Ų119119 Ų11980%0.80472%0.717SS**SBendtrans63.695.2172.8-60.20000118
434T28.7Very low28.9Very low132 Ų132119 Ų11981%0.8172%0.715SS**  trans48.483.714554.40000119.3
435S25.8Very low29.1Very low108 Ų108121.1 Ų121.176%0.75572%0.716SS**  trans28.9141134.259.70000121.5
436P30.6Very low29.3Very low132 Ų132120.5 Ų120.586%0.85771%0.709SS**  cis-115.6-166.816.340.6-29.3000114.3
437S26.3Very low29.2Very low109 Ų109119.4 Ų119.476%0.76270%0.701SS**  trans-139134.3-153.6-51.60000116.2
438D25.4Very low29.2Very low143 Ų143119.6 Ų119.677%0.76571%0.712SS**  trans-172.7180148.7-116.7-21.4000110.4
439P32.3Very low29.2Very low95 Ų95118.7 Ų118.762%0.61772%0.715SS**  -107.4-148.3-57.536.4-23.1000111.3K429K429-P439 PolarHBondContact NZ-O 2.88Å
440N30Very low29.3Very low123 Ų123118.3 Ų118.366%0.65872%0.724SS**  trans-138.6162.9-169.7-69.3-11.8000114.3K429K429-N440 PolarHBondContact NZ-OD1 2.71Å
441A28.7Very low29.1Very low45 Ų45116.7 Ų116.737%0.37272%0.715SS.*  trans176120.6136.300000115.1Y427Y427-A441 WeakPolarHBondContact CD1-O 3.42Å; Y427-A441 HydrophobicContact CE1-CB 4.4Å; Y427-A441 WeakPolarHBondContact CE1-O 2.99Å; Y427-A441 WeakPolarHBondContact CE2-O 3.41Å
442Y29.8Very low29Very low189 Ų189118.2 Ų118.274%0.74171%0.71SS**  169.2166.6129.1-104.2-78.8000112.8Y427Y427-Y442 HydrophobicContact CE2-CD2 4.09Å
443N30.3Very low28.9Very low143 Ų143124 Ų12477%0.76571%0.712SS**  trans-105.3-178.5-162.4-75.3-34.7000113.2
444P34.6Very low28.9Very low100 Ų100123.9 Ų123.965%0.64971%0.708SS**  cis-141.7177-42.839-21.9000115.8
445I28.5Very low28.9Very low155 Ų155121.8 Ų121.880%0.79570%0.698SS**  trans70141.2143.6-82162.1000119.9
446P31.9Very low29Very low101 Ų101122.7 Ų122.766%0.65670%0.699SS**  cis-144.2158.9-25.943.3-25.1000117.9
447S26.5Very low28.8Very low95 Ų95121.6 Ų121.666%0.66469%0.693SS**  trans58.614513471.60000126
448L27.2Very low28.8Very low164 Ų164125 Ų12586%0.85970%0.695SS**  trans75.3127.8152.1-69.2152000118.8
449G30.5Very low28.7Very low56 Ų56125.5 Ų125.558%0.57770%0.696SS**  cis159.5-177.9-8.200000114
450T30.2Very low28.8Very low122 Ų122126.7 Ų126.775%0.74870%0.703SS**  trans70.9145.2158.166.30000118.2
451N26.9Very low28.6Very low119 Ų119126.1 Ų126.164%0.63671%0.708SS**  cis-166.5173.2-6.4-116.311.2000113.9
452E26.6Very low28.7Very low139 Ų139130 Ų13065%0.6572%0.723SS**  trans73.1152144.6-77160.9-120.600119.1
453W27.9Very low28.7Very low215 Ų215128.1 Ų128.181%0.81472%0.718SS**  cis-159.7155.127.2-120.60.8000114.5
454V28.9Very low28.6Very low117 Ų117128.6 Ų128.671%0.70972%0.715SS**  trans65.1144.7135.3168.80000120.8
455S28Very low28.3Very low88 Ų88128.1 Ų128.162%0.61572%0.715SS**  cis-175.4172.3-19-88.40000112.7
456T27.5Very low28.3Very low127 Ų127127.5 Ų127.578%0.77971%0.712SS**  trans76.2134.4144.536.20000124.9
457C26.2Very low28Very low108 Ų108131.2 Ų131.273%0.7372%0.718SS**  trans68115.6145.8-65.60000120.7
458K26.4Very low27.9Very low182 Ų182133.2 Ų133.279%0.79172%0.721SS**  72117.785.1-75.6-174.6175.4-178.30114.7
459I24Very low27.8Very low152 Ų152129.7 Ų129.778%0.77971%0.71SS**  73130.264.5-69.1170.7000110.9
460P34.8Very low27.4Very low120 Ų120134.3 Ų134.378%0.77972%0.721SS**  cis-142.6-176.342.937.4-15.2000120
461C25.7Very low27.1Very low111 Ų111133.4 Ų133.475%0.7572%0.72SS**  trans-49.8160.3175.7-42.20000119.8
462D29.6Very low27Very low128 Ų128136 Ų13668%0.68473%0.728SS**  -174.9148.2120.1-97.62.4000107.5
463K31.2Very low27Very low148 Ų148137.9 Ų137.964%0.64374%0.737SS**  cis-167.1158.3-6.9-110.9178.6-18070.20105.6
464E27.3Very low26.9Very low153 Ų153136.3 Ų136.372%0.71574%0.736SS**  cis-166.8178.2-6.7-133.5176.6-117.300106
465S29.1Very low26.8Very low90 Ų90137.6 Ų137.663%0.62973%0.734SS**  cis-146.9-1073.958.80000114.7
466I27.6Very low26.7Very low143 Ų143139 Ų13973%0.73374%0.735SS**  trans-153.9138.3-139-76.5168.3000110.2
467F26.9Very low26.8Very low178 Ų178141 Ų14178%0.78174%0.735SS**  cis-143.7-116-10.2-139.2-143.5000109.9
468D24.1Very low26.9Very low137 Ų137139 Ų13973%0.73373%0.733SS**  cis-158.7-157.4-6.9-149.3-33.7000111.2
469S25.4Very low27.3Very low90 Ų90137.5 Ų137.563%0.62973%0.732SS**  trans-116.1170.8-153.4-49.40000116.7
470N21.9Very low27.6Very low153 Ų153135.2 Ų135.282%0.81873%0.727SS**  trans5.6131.4157.5-73.7-36.3000122.3
471S23.8Very low27.3Very low103 Ų103136.9 Ų136.972%0.7273%0.728SS**  trans87.4133.4137.381.50000122.1
472H24.3Very low27.4Very low175 Ų175135.8 Ų135.881%0.8172%0.722SS**  trans61.2144.8155.3-70.2-62.8000122.9
473Q26.4Very low27.4Very low178 Ų178139 Ų13983%0.83273%0.73SS**  trans57.9111.4162.2-62.7177.51300117.8
474K25.7Very low27.1Very low182 Ų182137.1 Ų137.179%0.79174%0.736SS**  75.198.173.9-86.6-163.1173-175.50117.1
475Q27Very low27.1Very low143 Ų143134 Ų13467%0.66873%0.73SS**  79.2125.2129.2-68-171.7-71.500122.5
476N26.2Very low26.9Very low119 Ų119140 Ų14064%0.63674%0.739SS**  trans78.3148.4138-64-8.7000118.4
477Q29.3Very low26.7Very low167 Ų167140 Ų14078%0.7874%0.739SS**  cis-157.9149.60.9-131.3171.174.400114.4
478G28.4Very low27Very low66 Ų66136.6 Ų136.668%0.6874%0.735SS**  trans94.8150.4153.900000117
479I35.1Very low27Very low151 Ų151134.9 Ų134.977%0.77473%0.734SS**  cis-167.6155.2-15.6-120.1149.4000106.4
480P31.1Very low27Very low105 Ų105137.8 Ų137.868%0.68274%0.741SS**SBendcis-117.2145.420.212.611.6000116.7
481L27.8Very low27.1Very low154 Ų154135.1 Ų135.181%0.80673%0.734SS**  trans49.3125.8134-52.4171000121.2
482S28.3Very low27.4Very low89 Ų89138.8 Ų138.862%0.62274%0.737SS**  cis-170.7128.7-15.144.10000113.1
483K28.5Very low27.5Very low196 Ų196137.3 Ų137.385%0.85273%0.734SS**  trans68.1127.6140.4-65.4170.3-175.7173.90117.7
484S25.7Very low27.7Very low108 Ų108134.7 Ų134.776%0.75573%0.731SS**  72.1132.858.4-163.60000111.3
485S25.8Very low27.9Very low86 Ų86131.8 Ų131.860%0.60172%0.724SS**  cis175.6179-146.40000110.3
486R24.9Very low28Very low217 Ų217135.6 Ų135.682%0.81973%0.732SS**  trans68.7128.6142.9-89.1-176.8168.6-176.8-2.1120.2
487I24.1Very low28.1Very low142 Ų142134.6 Ų134.673%0.72874%0.735SS**  68.4144.1128.2-64.9175.7000117.6
488P34Very low28.3Very low108 Ų108135.5 Ų135.570%0.70174%0.736SS**  trans-94.8168.2-167.737.5-37.4000115.4
489S22.8Very low28.5Very low101 Ų101138.8 Ų138.871%0.70674%0.736SS**  trans99.1110.3155.9-48.50000119.8
490I25Very low28.4Very low151 Ų151137.9 Ų137.977%0.77473%0.733SS**  trans76.384.8132.5-54.9169.9000119.7
491S25.4Very low28.5Very low96 Ų96139.4 Ų139.467%0.67174%0.736SS**  87.1144.6121.485.90000125
492K29.1Very low28.5Very low181 Ų181137 Ų13779%0.78773%0.731SS**  trans95.3115.3137.3-87.6177.1178.7178.80123.8
493L27.5Very low28.6Very low143 Ų143138.3 Ų138.375%0.74974%0.736SS**  117.9133.4123.2-77162.4000121.9
494T30.4Very low28.5Very low123 Ų123136.8 Ų136.876%0.75573%0.732SS**  trans67139.515042.20000121.5
495D29.5Very low28.7Very low122 Ų122138 Ų13865%0.65273%0.727SS**  cis-163.8157.6-11-153.54.8000114.2
496R28.1Very low28.9Very low222 Ų222141.6 Ų141.684%0.83874%0.738SS**  trans59.8151.4161-69.6169-169-141.8-4.4122
497S30.1Very low29.1Very low99 Ų99134.2 Ų134.269%0.69273%0.73SS**  cis-173.9154.4-16.860.10000116.2
498K31.6Very low29.3Very low185 Ų185133 Ų13380%0.80473%0.734SS**  trans96.2116.1150.7-73.2-176.1171.2-175.50125.3
499I33.2Very low29Very low135 Ų135136.9 Ų136.969%0.69274%0.742SS**  91.4115.4124.9-65.8173.9000124.8
500N34Very low29.5Very low132 Ų132137 Ų13771%0.70674%0.741SS**  trans62.9131.5139.7-65.516.4000129.7
501N32.2Very low29.4Very low138 Ų138133.7 Ų133.774%0.73874%0.736SS**  93.7115.5129.6-76.618.8000127.2
502S28.5Very low29.5Very low102 Ų102138.1 Ų138.171%0.71374%0.743SS**  91.7129.211967.30000126.9
503T29.5Very low29.3Very low118 Ų118133.8 Ų133.872%0.72474%0.736SS**  trans84.5105.1138.533.30000125.8
504E27.4Very low29.4Very low164 Ų164132.9 Ų132.977%0.76674%0.736SS**  97.6151.6110-122.7173-143.500126.5
505M29.2Very low29.3Very low133 Ų133134 Ų13466%0.65574%0.736SS**  trans91.8108.8155.9-69-73.7104.200123.9
506I31.2Very low29.2Very low162 Ų162135.4 Ų135.483%0.83174%0.739SS**  trans65.1140.6139.6-60167.9000119.8
507G27.5Very low29.2Very low62 Ų62136 Ų13664%0.63974%0.741SS**  trans1617.3158.700000124.4
508S29.5Very low29.2Very low117 Ų117137.5 Ų137.582%0.81875%0.746SS**  trans42.5126.1164.359.30000122.6
509Q26.4Very low29.1Very low188 Ų188135.8 Ų135.888%0.87974%0.741SS**  trans74.5155.8155.4-71.5-83.4-47.300117.6
510P33.5Very low28.7Very low105 Ų105138.4 Ų138.468%0.68274%0.742SS**  trans-130.6165-133.843.5-31.1000117
511A23.9Very low28.3Very low80 Ų80138.8 Ų138.866%0.66174%0.744SS**  165.8169.6105.300000115
512F27.2Very low28Very low189 Ų189140.3 Ų140.383%0.82974%0.744SS**  trans5982.8157.6-69.3-68.9000123
513S24.7Very low28Very low90 Ų90141.1 Ų141.163%0.62975%0.745SS**  82.4156.4107.9770000123.3
514T29.5Very low27.7Very low124 Ų124141 Ų14176%0.76174%0.744SS**  trans70.2142.416465.50000118.1
515I29.3Very low27.7Very low147 Ų147136.4 Ų136.475%0.75474%0.74SS**  cis-146156-9-122.9162.2000113.3
516Q27.5Very low27.5Very low152 Ų152139 Ų13971%0.7175%0.748SS**  trans-26.1141171.7-52.4169.4-100118.8
517R28.2Very low27.1Very low233 Ų233136 Ų13688%0.87974%0.741SS**  -165155.688.9-105.1-177.1171.2111.8-0.9113.1
518T29.6Very low27Very low131 Ų131138.4 Ų138.480%0.80474%0.744SS**  trans-113.4163-17352.40000113.1
519Q28.5Very low26.9Very low149 Ų149137.7 Ų137.770%0.69674%0.739SS**  trans123.8130.4154.5-66.2-155.349.400113.6
520R26.1Very low26.7Very low190 Ų190136.6 Ų136.672%0.71773%0.734SS**  cis-167.4140.9-9.1-127-173.6176.3149.7-17.1110.4
521L25.8Very low26.2Very low141 Ų141135.5 Ų135.574%0.73873%0.728SS**  trans63.2162.3152.9-63.3165.5000115.6
522K25.8Very low26.6Very low169 Ų169135.2 Ų135.274%0.73573%0.733SS**  cis-151-179.912.3-146.1160.3-173-178.10110.5
523T27.8Very low26.6Very low119 Ų119133.6 Ų133.673%0.7373%0.726SS**  trans65.7114.9163.737.20000115.9
524V24.3Very low26.7Very low117 Ų117135.8 Ų135.871%0.70973%0.726SS**  64.9113.978.6174.30000110.1K526V524-K526 HydrophobicContact CG1-CG 4.41Å
525G26.6Very low26.5Very low67 Ų67135.6 Ų135.669%0.69173%0.725SS**  cis87-170.710.100000113.4
526K24.5Very low26.5Very low186 Ų186134.4 Ų134.481%0.80973%0.725SS**  trans66156.2-168.7-65.3-175.6168.9-173.20115.2V524V524-K526 HydrophobicContact CG1-CG 4.41Å
527S23.3Very low26.2Very low99 Ų99131.4 Ų131.469%0.69272%0.72SS**  trans49.2133.4148.854.10000119.3
528T26.4Very low26.1Very low113 Ų113126.1 Ų126.169%0.69371%0.713SS**  cis-125.3157.524.3470000112.1
529S25.6Very low26Very low103 Ų103127 Ų12772%0.7271%0.712SS**  cis7244.217.390.50000116.8
530Q23.6Very low25.8Very low164 Ų164123.6 Ų123.677%0.76671%0.709SS**  trans-156111.4157.2-100.7162.9-9.200106.1
531S23.1Very low25.7Very low82 Ų82122.9 Ų122.957%0.57371%0.714SS**  84.679.771.676.90000114.3
532G31.4Very low25.6Very low74 Ų74122.9 Ų122.976%0.76372%0.715SS**  -74127111.800000106.9
533K26.9Very low25.5Very low156 Ų156121.2 Ų121.268%0.67871%0.714SS**  cis60.9125.242.8-57.9168.7136.4-81.60110.5
534E26.8Very low25.4Very low135 Ų135121.9 Ų121.963%0.63171%0.713SS**  cis-136.91503.9-122.2103.9-132.800108
535V26.5Very low25.5Very low121 Ų121124.1 Ų124.173%0.73371%0.713SS**  44107.691.6-1750000110.3
536T28Very low25.5Very low122 Ų122127.1 Ų127.175%0.74871%0.714SS**  cis-138.7159.945.2500000111.3
537S22.5Very low25.6Very low88 Ų88122 Ų12262%0.61570%0.701SS**  cis75.9146.526.284.50000116.5
538V25.2Very low25.8Very low122 Ų122125.4 Ų125.474%0.73971%0.706SS**  trans72.1121.3158177.20000117.6
539I27.1Very low25.8Very low151 Ų151124.7 Ų124.777%0.77471%0.706SS**  trans63.5110.6157.9-67.1167.3000115.3
540A24.6Very low25.9Very low77 Ų77125.4 Ų125.464%0.63671%0.708SS**  cis73.9141.344.800000114.5
541Q23.5Very low26Very low175 Ų175122.4 Ų122.482%0.81871%0.705SS**  trans58.3114.9170.5-62.8172.1-8.700114.9
542N25.2Very low26.2Very low140 Ų140125.4 Ų125.475%0.74971%0.714SS**  cis-148.4-177.547.8-86.1-65.3000113.6
543N22.7Very low25.9Very low135 Ų135128.9 Ų128.972%0.72271%0.708SS**  trans-52.6155.5157.9-29.7-75.8000110.2
544D26.2Very low25.7Very low132 Ų132128.6 Ų128.671%0.70671%0.707SS**  -167.7162.2113.8-98.5-4.8000112.1
545F26.4Very low25.6Very low165 Ų165130.7 Ų130.772%0.72471%0.71SS**  trans4.2144.1157-54.5-70.6000119.9
546D26.8Very low25.5Very low130 Ų130131 Ų13170%0.69570%0.704SS**  cis-162.714215.6-132.6-14.5000118.1
547S26Very low25.2Very low77 Ų77131.5 Ų131.554%0.53870%0.702SS.*  trans67.2155.4131.586.70000126.2
548Q28Very low25.3Very low171 Ų171132.6 Ų132.680%0.79970%0.704SS**  trans78.784.7140.1-79.7167.9106.700121.4
549S25.3Very low25.1Very low99 Ų99133.8 Ų133.869%0.69271%0.706SS**  -64156121.953.80000111.9
550P28.4Very low25.1Very low118 Ų118131.4 Ų131.477%0.76670%0.703SS**SBendtrans-75.2129.6161.730.7-31.9000111.1
551S25.7Very low25Very low101 Ų101132.4 Ų132.471%0.70671%0.706SS**  trans5996.4149.4-580000120.8
552L26.4Very low25Very low144 Ų144130.6 Ų130.675%0.75470%0.702SS**  32.7145.8114-6886.4000120.7
553K25.8Very low25Very low148 Ų148132.4 Ų132.464%0.64370%0.703SS**  cis-166.4153.5-12.2-110.1-174-169.8179.20110.1
554F23.3Very low24.9Very low149 Ų149132.7 Ų132.765%0.65470%0.703SS**  14.5152129.4-60-120.5000119.1
555Y24.5Very low24.7Very low179 Ų179130.4 Ų130.470%0.70270%0.697SS**  cis-146149.441-92.3-92000110.6
556H24.1Very low24.5Very low129 Ų129129.9 Ų129.960%0.59770%0.697SS**  49.6146.891.3-68.1-97.9000115.7
557D22.2Very low24.4Very low131 Ų131129.2 Ų129.270%0.70170%0.703SS**  cis-155.2165.96.5-124-21.7000115.7
558V23.5Very low24.4Very low111 Ų111129.7 Ų129.767%0.67370%0.702SS**  trans6.2123152.8176.70000119.3
559N22.1Very low24.3Very low147 Ų147129.6 Ų129.679%0.78670%0.699SS**  -170.6170.9117-115.8-61.3000117.6
560S27.2Very low24.3Very low101 Ų101131.8 Ų131.871%0.70670%0.698SS**  trans61.5112.9156.856.60000121
561S21.7Very low24.4Very low99 Ų99132.4 Ų132.469%0.69270%0.695SS**  trans-32.8170.713952.20000118.5
562N23.8Very low24.5Very low136 Ų136134.7 Ų134.773%0.72769%0.694SS**  trans107.3140.3159-68.1-68.7000118.3
563K24.4Very low24.3Very low178 Ų178133.3 Ų133.377%0.77469%0.687SS**  trans59.9114.1151.1-69.6172.2-179.9178.50117.6
564I20.7Very low24.2Very low142 Ų142132.9 Ų132.973%0.72869%0.692SS**  71.885.866.6-62.4166000112
565S21.9Very low24.2Very low83 Ų83130 Ų13058%0.5870%0.695SS**  trans69.7-179.3132.9790000119.3
566Q22.6Very low24.2Very low154 Ų154126 Ų12672%0.7269%0.694SS**  trans62.6101.2163.9-63.516263.500114.2T568Q566-T568 HydrophobicContact CB-CG2 3.86Å; Q566-T568 HydrophobicContact CG-CG2 3.74Å
567S24.7Very low24.5Very low117 Ų117132 Ų13282%0.81871%0.711SS**  -131.511370.6-20.70000110.8
568T25.3Very low24.5Very low86 Ų86132.1 Ų132.153%0.52871%0.711SS.*  65129.667.669.30000115.1Q566Q566-T568 HydrophobicContact CB-CG2 3.86Å; Q566-T568 HydrophobicContact CG-CG2 3.74Å
569K26Very low24.5Very low170 Ų170134.8 Ų134.874%0.73972%0.716SS**  trans73.5139.8145.6-69.5169179179.30115.5
570H26.7Very low24.8Very low145 Ų145132.7 Ų132.767%0.67171%0.713SS**  cis-162.2174.66.1-129.8-34.7000113.1
571L29.2Very low24.8Very low131 Ų131133.2 Ų133.269%0.68671%0.712SS**  trans68.9109.8148.8-67.1162.8000118.7
572H28.7Very low25.2Very low148 Ų148134.6 Ų134.669%0.68572%0.719SS**  58.3115.5122.5-80.3-90.1000120.5
573D22.7Very low25.4Very low116 Ų116132.1 Ų132.162%0.6273%0.725SS**  54.3150.4104.1-59.6-4.6000122.5
574N23.3Very low25.6Very low138 Ų138127.3 Ų127.374%0.73871%0.714SS**  trans68.664.5144.8-65.5-23.1000117.6
575A23.4Very low26Very low88 Ų88127 Ų12773%0.72771%0.712SS**  59.7174.6100.500000120.1
576S24.3Very low26.3Very low96 Ų96129.7 Ų129.767%0.67172%0.721SS**  trans54.187.4157.953.70000117.3
577R30.2Very low27Very low255 Ų255127.1 Ų127.196%0.96272%0.717SS**  trans-135.696.7131.7-108148.1-157-97.1-1111.5
578L22.9Very low27.2Very low134 Ų134129.5 Ų129.570%0.70272%0.718SS**  trans-70.5168.4164.6-66.1149.9000110.4
579H23.1Very low27.4Very low166 Ų166130.6 Ų130.677%0.76972%0.724SS**  trans72.5139168.9-44.8-67.2000114.4
580S28.4Very low27.4Very low103 Ų103126.2 Ų126.272%0.7271%0.714SS**  cis-146.8147.515.850.90000109.2
581T27.6Very low27.5Very low113 Ų113126.5 Ų126.569%0.69371%0.714SS**  cis63126.14667.70000113.3
582P29.1Very low27.4Very low128 Ų128131 Ų13183%0.83172%0.722SS**  -148.4162.671.139.6-21.6000118
583G27.5Very low27.5Very low83 Ų83130 Ų13086%0.85673%0.728SS**  trans75.6135.5174.200000114.3
584S28.8Very low27.7Very low77 Ų77131.9 Ų131.954%0.53874%0.738SS.*  cis-152.4148.45.8-166.80000107.7D373D373-S584 PolarHBondContact O-OG 3.26Å
585L29.2Very low27.9Very low135 Ų135133.8 Ų133.871%0.70774%0.74SS**  cis-137.3-107.8-8-140.5176.3000111.9
586N28.5Very low27.9Very low141 Ų141136.2 Ų136.275%0.75474%0.739SS**  trans-175.1-179.9-173.5-115.5-36.6000110.7
587P38.1Very low28.2Very low100 Ų100140.3 Ų140.365%0.64975%0.746SS**  cis-137.9158.3-429.9-7.5000118.7
588M28Very low27.9Very low167 Ų167135.5 Ų135.582%0.82374%0.737SS**  trans67.2150.1144.5-74.5173.174.600118.7
589V29.1Very low28.1Very low108 Ų108136.2 Ų136.266%0.65574%0.742SS**  cis-174.6157.7-10.5107.30000106.4
590S27.2Very low28.2Very low78 Ų78132.9 Ų132.955%0.54574%0.737SS.*  cis179.2-166-24.457.90000107.4
591K27.9Very low28.2Very low152 Ų152133 Ų13366%0.66175%0.745SS**  cis-167.4139.96.3-140.5169.3-105.6104.30110.9
592R27.5Very low28.3Very low226 Ų226130.6 Ų130.685%0.85374%0.742SS**  trans72.7138150.6-79.8173.9-176.9177.51.1125
593P30.2Very low28.4Very low126 Ų126131.9 Ų131.982%0.81874%0.742SS**  trans-110.3-159.315542.5-33000113.4
594N26.8Very low28.1Very low156 Ų156136.3 Ų136.383%0.83474%0.74SS**  trans-63.5163-169.8-71-16.5000119
595K28.7Very low27.9Very low177 Ų177138.1 Ų138.177%0.7775%0.748SS**  trans-126.8143.3151.1-86.7-166.3171.3-169.40107.7
596I23.7Very low27.6Very low140 Ų140136.7 Ų136.772%0.71875%0.749SS**  72.4102.650.4-57.4168.6000113.2
597F30.1Very low27.5Very low182 Ų182138.9 Ų138.980%0.79875%0.752SS**  -167.2154.3121.6-115.3-77000111.3
598I22.8Very low26.7Very low153 Ų153138.1 Ų138.179%0.78575%0.749SS**  trans-128135.1172.5-68.2174.7000108.3
599N28.6Very low26.6Very low149 Ų149138.5 Ų138.580%0.79775%0.749SS**  trans171.4149.1157.5-94.2-9000107.8
600S23.9Very low26.5Very low96 Ų96138.8 Ų138.867%0.67175%0.751SS**  cis177.4135.1-21.846.90000107.4
601A29.3Very low26.4Very low107 Ų107142.6 Ų142.688%0.88476%0.762SS**  trans63.4146-170.500000114.7
602G30.5Very low26.3Very low62 Ų62141.4 Ų141.464%0.63976%0.763SS**  cis-176.3164.9-4.700000108.4
603D30Very low26.3Very low154 Ų154135.7 Ų135.782%0.82475%0.753SS**  cis-149.4171.1-0.4-88.3-43.6000111
604E21.6Very low25.9Very low176 Ų176139 Ų13982%0.82276%0.755SS**  trans-106.7170.9176-135.6-175.6-156.800111.2
605V23.6Very low25.9Very low116 Ų116138.4 Ų138.470%0.70375%0.75SS**  trans45.6113.4155.7-1770000120.2
606S24.7Very low25.8Very low104 Ų104137 Ų13773%0.72775%0.745SS**  trans-162.1144.7131.890000109.6
607K25Very low25.9Very low188 Ų188136.1 Ų136.182%0.81774%0.742SS**  47.3141.380.3-51.3-179.6-174.8176.80112.6
608S21.8Very low25.8Very low83 Ų83133.4 Ų133.458%0.5874%0.736SS**  cis178.9156.6-9.743.60000105
609E25.2Very low26Very low175 Ų175131 Ų13182%0.81873%0.728SS**  trans62.7170165.3-63.1160.2-167.600114
610T27.6Very low25.9Very low114 Ų114130 Ų13070%0.69972%0.723SS**  cis-141.8164.5-33.119.40000108.7
611M24.7Very low26.2Very low158 Ų158130.3 Ų130.378%0.77872%0.721SS**  trans46.2132.4141.7-74.8-167.5174.200122.7
612N26.4Very low26.1Very low128 Ų128130.1 Ų130.168%0.68471%0.709SS**  93.9126.9125.3-76.3-6.3000122.2
613V26.5Very low25.9Very low106 Ų106133.9 Ų133.964%0.64272%0.715SS**  62.293.5123.8-179.50000114.6I615V613-I615 HydrophobicContact CG1-CD1 4.37Å
614K22.7Very low26Very low196 Ų196133 Ų13385%0.85271%0.71SS**  35.8118.492-74.2-176.4174.3179.80112.6
615I27.2Very low26.2Very low143 Ų143129.2 Ų129.273%0.73370%0.695SS**  -168.6123126-104.3155.3000110.8V613V613-I615 HydrophobicContact CG1-CD1 4.37Å
616H26.3Very low26.4Very low147 Ų147128.7 Ų128.768%0.68169%0.689SS**  trans57.1131.1145.2-70.1-14.6000123.2
617N26.6Very low26.3Very low122 Ų122132.2 Ų132.265%0.65269%0.691SS**  66.7142.3124-53.10.3000118.2
618N27.9Very low26.3Very low125 Ų125127.8 Ų127.867%0.66868%0.679SS**  cis-123.3150.72.1-104.8-35000108.4
619T25.7Very low26.4Very low101 Ų101130.3 Ų130.362%0.6269%0.686SS**  41.8139.983.787.80000112.9
620N27.8Very low26.4Very low130 Ų130127.3 Ų127.370%0.69568%0.681SS**  cis-163.4173.339.2-141.8-18.6000114.1
621T28.2Very low26.1Very low102 Ų102127.3 Ų127.363%0.62668%0.68SS**  trans64.4145.114845.20000122.6
622T29.1Very low26.4Very low103 Ų103124.3 Ų124.363%0.63268%0.68SS**  trans68.5133150.147.80000117.3
623N25Very low26.3Very low141 Ų141124.4 Ų124.475%0.75468%0.68SS**  cis63.8159.248.4-56.1-3.5000112.7
624N31.9Very low26.4Very low134 Ų134125.5 Ų125.572%0.71768%0.682SS**  trans57.692.4168-47.2-10.9000114.5
625D26.9Very low26.4Very low97 Ų97122.8 Ų122.852%0.51968%0.677SS.*  cis33171.924.8-133.2101.9000116.8K280K280-D625 IonicContact NZ-OD1 2.7Å; K280-D625 PolarHBondContact NZ-OD1 3.2Å; K280-D625 IonicContact NZ-OD2 2.65Å
626N28.1Very low26.6Very low106 Ų106122.4 Ų122.457%0.56768%0.682SS**  trans75.7146.3-135.7-58.7-82.6000112
627K21.9Very low26.6Very low178 Ų178124.3 Ų124.377%0.77469%0.688SS**  cis81161.820.8-162-164.4-178.8-177.50112.5
628T24.4Very low26.7Very low94 Ų94125.1 Ų125.158%0.57769%0.692SS**  trans63.4135.2169.563.20000116.6
629N24.8Very low26.6Very low136 Ų136126.5 Ų126.573%0.72770%0.7SS**  cis-162.9-177-7.9-107.7-9.7000105.2
630T23.9Very low26.7Very low113 Ų113126.2 Ų126.269%0.69371%0.708SS**  cis-160.9146.420.5-17.90000108.9
631V22.8Very low26.7Very low114 Ų114128.4 Ų128.469%0.69171%0.714SS**  trans32.3111.2136.3-179.20000118.8L633V631-L633 HydrophobicContact CG1-CD1 3.41Å; V631-L633 VanDerWaalsContact CG1-CD1 3.41Å
632A30.3Very low26.5Very low95 Ų95129.7 Ų129.779%0.78572%0.716SS**  -133.6126121.100000106.5
633L23.3Very low26.2Very low129 Ų129127.6 Ų127.668%0.67571%0.705SS**  48.995.471.8-90.279.3000112.9V631V631-L633 HydrophobicContact CG1-CD1 3.41Å; V631-L633 VanDerWaalsContact CG1-CD1 3.41Å
634N28.7Very low26.3Very low129 Ų129124.8 Ų124.869%0.6969%0.69SS**  178135.986.6-89.9-45.6000114.8
635N23.8Very low26Very low140 Ų140122 Ų12275%0.74968%0.675SS**  trans6.1123.2140.2-52.3-38.8000119.1
636T30.3Very low25.9Very low134 Ų134123.5 Ų123.582%0.82268%0.683SS**  -167.7108.711016.20000113.9
637K26.6Very low25.7Very low187 Ų187124.3 Ų124.381%0.81368%0.681SS**  trans34.6107.4132.8-70.5-170.9175.8-172.90120.1
638N28.7Very low25.8Very low139 Ų139122.4 Ų122.474%0.74368%0.68SS**  176.5111.797.9-90.7-7.5000113.1
639D26.4Very low25.8Very low154 Ų154126.3 Ų126.382%0.82470%0.696SS**  trans32.7121.8137.2-45.9-19.2000122
640A28.7Very low25.9Very low96 Ų96130.8 Ų130.879%0.79370%0.703SS**  -170.8141.9102.500000111.4
641H26.2Very low26.5Very low176 Ų176130.4 Ų130.482%0.81570%0.702SS**  trans-154148.2178.7-117-76.3000112.5
642N25Very low26.6Very low128 Ų128131.8 Ų131.868%0.68471%0.706SS**  trans72.6139.7153.1-72.89.1000122.2
643C22.7Very low26.3Very low59 Ų59133 Ų13340%0.39970%0.699SS.*  57.4127125.7-520000120.7Y263 H264Y263-C643 WeakPolarHBondContact O-CB 3.34Å; Y263-C643 PolarHBondContact O-SG 3.44Å; H264-C643 PolarHBondContact CD2-O 2.83Å; H264-C643 VanDerWaalsContact CD2-O 3.26Å
644N26.2Very low26.5Very low83 Ų83134.6 Ų134.644%0.44471%0.707SS.*  trans108.60-168.4-50.5-24.8000120.7Y263 H264 E265Y263-N644 WeakPolarHBondContact CD1-OD1 3.24Å; H264-N644 VanDerWaalsContact CB-C 3.45Å; H264-N644 WeakPolarHBondContact CB-O 3.4Å; H264-N644 WeakPolarHBondContact CD2-CA 3.39Å; H264-N644 WeakPolarHBondContact CD2-CB 3.22Å; H264-N644 PolarHBondContact CD2-N 2.96Å; H264-N644 PolarHBondContact CD2-O 3.47Å; H264-N644 PolarHBondContact CE1-O 2.78Å; H264-N644 PolarHBondContact ND1-O 2.79Å; H264-N644 WeakPolarHBondContact NE2-CA 3.09Å; H264-N644 WeakPolarHBondContact NE2-CB 3.19Å; H264-N644 PolarHBondContact NE2-O 3.46Å; E265-N644 VanDerWaalsContact O-O 3.05Å
645I26.4Very low26.4Very low76 Ų76136.2 Ų136.239%0.3971%0.714SS.*  0161.90-151.9157.8000118.9Y263 H264Y263-I645 HydrophobicContact CD1-CB 3.74Å; Y263-I645 HydrophobicContact CD1-CG2 3.31Å; Y263-I645 HydrophobicContact CD2-CB 3.91Å; Y263-I645 HydrophobicContact CD2-CD1 3.3Å; Y263-I645 HydrophobicContact CD2-CG1 4.18Å; Y263-I645 HydrophobicContact CD2-CG2 3.91Å; Y263-I645 HydrophobicContact CE1-CB 4.32Å; Y263-I645 HydrophobicContact CE1-CG2 3.42Å; Y263-I645 VanDerWaalsContact CE1-CG2 3.42Å; Y263-I645 HydrophobicContact CE2-CB 4.49Å; Y263-I645 HydrophobicContact CE2-CD1 3.77Å; Y263-I645 HydrophobicContact CE2-CG2 4.03Å; Y263-I645 HydrophobicContact CG-CB 3.51Å; Y263-I645 HydrophobicContact CG-CD1 3.84Å; Y263-I645 HydrophobicContact CG-CG1 4.25Å; Y263-I645 HydrophobicContact CG-CG2 3.57Å; H264-I645 WeakPolarHBondContact CE1-CA 3.29Å; H264-I645 PolarHBondContact CE1-N 3.36Å; H264-I645 PolarHBondContact CE1-O 3.03Å; H264-I645 VanDerWaalsContact CE1-O 3.27Å; H264-I645 VanDerWaalsContact CG-N 3.31Å; H264-I645 WeakPolarHBondContact ND1-CA 3.33Å; H264-I645 PolarHBondContact ND1-N 3.02Å; H264-I645 PolarHBondContact NE2-N 3.32Å; H264-I645 VanDerWaalsContact NE2-N 3.13Å
646D24.7Very low26.6Very low127 Ų127138.9 Ų138.968%0.67972%0.719SS**  trans87.9168.4154.1-87.7-47.7000120.7
647K24.9Very low26.2Very low124 Ų124137.6 Ų137.654%0.53972%0.716SS.*  trans-80.1166.3-157.1-55.2-175.3178-173.80114.8E230E230-K647 IonicContact OE1-NZ 3.51Å; E230-K647 PolarHBondContact OE1-NZ 2.64Å; E230-K647 IonicContact OE2-NZ 2.76Å; E230-K647 PolarHBondContact OE2-NZ 2.93Å
648D24Very low26.2Very low138 Ų138136.4 Ų136.474%0.73871%0.713SS**  trans57.9101.5152.6-60.9-40000119.1
649L24.4Very low26.2Very low176 Ų176135.2 Ų135.292%0.92171%0.713SS**  -170.5153.996.9-96.3163.2000113.5
650R25.2Very low26.2Very low230 Ų230136 Ų13687%0.86871%0.711SS**  trans-93.1173.8170.9-81-177.5177.6-178.90.5110.5
651P37.1Very low26.1Very low105 Ų105141 Ų14168%0.68271%0.71SS**  cis-133.1162.3-36.236.6-22.1000112.8
652D24.2Very low26.1Very low143 Ų143135.1 Ų135.177%0.76569%0.688SS**  trans169.2151.3146.7-1039.8000109.6
653N25.6Very low26.3Very low121 Ų121132.9 Ų132.965%0.64768%0.676SS**  cis-151.8166.5-10.2-142.6-43.8000110.7
654L27.8Very low26.6Very low162 Ų162134.2 Ų134.285%0.84868%0.677SS**  trans56.199.9163.9-75159.9000120.4
655I26.4Very low26.8Very low163 Ų163136.8 Ų136.884%0.83668%0.684SS**  trans-67.3145.1170.7-64.2154.8000112.9
656K26.5Very low27Very low196 Ų196140.2 Ų140.285%0.85270%0.701SS**  trans-155.2127.7147.7-123.9173.1-173.8174.90113.9
657S22.5Very low27.2Very low107 Ų107140.3 Ų140.375%0.74870%0.702SS**  trans-138.5147159.351.50000108.6
658E27.2Very low27.5Very low161 Ų161140.7 Ų140.775%0.75271%0.71SS**  trans64.7133.3-159.9-52.1-163.3152.300113.4
659P29Very low27.7Very low115 Ų115140.3 Ų140.375%0.74771%0.706SS**  -118.5157.367.541.4-34.8000113.1
660H25.1Very low28Very low170 Ų170140.4 Ų140.479%0.78770%0.702SS**  57.8119.264.1-99.1-46.3000115.3
661R27.8Very low28.1Very low202 Ų202134.6 Ų134.676%0.76270%0.695SS**  trans-144.8123.9144.3-132.8172.3-167.6179.63.3111.2S178S178-R661 WeakPolarHBondContact O-CG 3.34Å; S178-R661 PolarHBondContact OG-NE 3.37Å
662S26.1Very low27.6Very low51 Ų51136.2 Ų136.236%0.35770%0.698SS.*  trans-93.9-161.1168.242.30000107.1S178 K179 E180S178-S662 CarbonylContact C-O 3.57Å; S178-S662 CarbonylContact O-C 3.48Å; S178-S662 PolarHBondContact O-N 3.46Å; S178-S662 PolarHBondContact O-OG 3.18Å; S178-S662 VanDerWaalsContact O-OG 3.04Å; K179-S662 CarbonylContact C-O 3.53Å; K179-S662 WeakPolarHBondContact CA-O 3.03Å; K179-S662 PolarHBondContact N-O 2.77Å; E180-S662 PolarHBondContact N-O 3.27Å
663N29Very low27.7Very low82 Ų82136.8 Ų136.844%0.43970%0.697SS.*  cis170.6-164.637.9-141.9-43.4000109.5K179 E180K179-N663 VanDerWaalsContact CA-N 3.31Å; K179-N663 HydrophobicContact CB-CB 4.46Å; K179-N663 HydrophobicContact CG-CB 4.22Å; E180-N663 WeakPolarHBondContact CA-O 3.27Å; E180-N663 PolarHBondContact N-O 2.82Å
664E28.9Very low27.7Very low87 Ų87137.6 Ų137.641%0.40770%0.7SS.*  trans73.5123.5165.2-152.2102-84.800115K179K179-E664 HydrophobicContact CB-CB 4.45Å; K179-E664 VanDerWaalsContact CD-OE2 3.24Å; K179-E664 WeakPolarHBondContact CD-OE2 3.33Å; K179-E664 WeakPolarHBondContact CE-OE2 3.17Å; K179-E664 HydrophobicContact CG-CB 4.16Å; K179-E664 VanDerWaalsContact CG-OE2 3.29Å; K179-E664 WeakPolarHBondContact CG-OE2 3.44Å; K179-E664 IonicContact NZ-OE1 3.14Å; K179-E664 PolarHBondContact NZ-OE1 2.96Å; K179-E664 IonicContact NZ-OE2 3.71Å; K179-E664 PolarHBondContact NZ-OE2 2.75Å
665K29.8Very low27.7Very low137 Ų137135.6 Ų135.660%0.59669%0.69SS**  cis-153.7158-9.6-109.4-162.8174.868.10106.5D667K665-D667 WeakPolarHBondContact CE-OD2 3.17Å
666I29.8Very low27.6Very low147 Ų147134.1 Ų134.175%0.75468%0.68SS**  cis7399.12.2-48.2-179.8000117.2
667D29.6Very low27.5Very low129 Ų129132.6 Ų132.669%0.6968%0.678SS**  trans171.4151145.2-71.6-34.4000104.2K665K665-D667 WeakPolarHBondContact CE-OD2 3.17Å
668D30.5Very low27.6Very low132 Ų132136.5 Ų136.571%0.70668%0.677SS**  cis-126.1-159.110-124.912.7000110
669I29.9Very low27.7Very low130 Ų130134.6 Ų134.667%0.66768%0.676SS**  cis80.2133.529.7-43.5-176.4000113.8
670Q29.2Very low27.7Very low178 Ų178133.4 Ų133.483%0.83267%0.671SS**  cis-136.9-174.212.5-143.5158.638.400116.1
671C27.6Very low27.7Very low108 Ų108131 Ų13173%0.7366%0.664SS**  trans-75.7176.2-176.3-460000114
672N26.5Very low27.5Very low140 Ų140129.3 Ų129.375%0.74966%0.662SS**  cis-162.9171.88.1-141.8-15.7000113.6
673Q27.5Very low27.4Very low155 Ų155136 Ų13672%0.72469%0.69SS**  trans71.8124159.3-69.2178.6-1.200121.6
674L25.6Very low27.1Very low138 Ų138138.5 Ų138.572%0.72370%0.703SS**  38.6129128.2-51.2168.7000118.2
675N26.4Very low27.1Very low120 Ų120142 Ų14264%0.64272%0.717SS**  cis-168.2157.812.6-116.9-7.8000109
676Q26.2Very low26.8Very low131 Ų131141.7 Ų141.761%0.61272%0.718SS**  cis-159.3139.4-10.9-163.1-174.3114.300109.1
677M22.7Very low26.6Very low165 Ų165142.4 Ų142.481%0.81372%0.718SS**  trans-158.377.8154.5-148.2-169.295.800112.6
678Y25.8Very low26.3Very low189 Ų189145.2 Ų145.274%0.74172%0.724SS**  trans-167.7124.5132-119.5-80000111.9S680Y678-S680 PolarHBondContact O-OG 2.73Å
679V29.5Very low26.3Very low120 Ų120147.9 Ų147.973%0.72773%0.731SS**  trans-75.1115.7169.6169.20000106.6
680S27.3Very low26Very low91 Ų91147.2 Ų147.264%0.63673%0.733SS**  cis71.9128.846.5-56.80000112.4Y678Y678-S680 PolarHBondContact O-OG 2.73Å
681D25.1Very low25.7Very low119 Ų119148.3 Ų148.364%0.63673%0.731SS**  cis-160.3171-6.9-162.95000110.4
682K24.8Very low25.6Very low166 Ų166151.5 Ų151.572%0.72274%0.735SS**  trans44.2108.4161.5-66.6174.1-171.6780118.7
683M23.5Very low25.6Very low193 Ų193152.6 Ų152.695%0.95174%0.736SS**  trans-161.958.5140.6-112.3-66.4-13300112.4
684N23.4Very low25.8Very low134 Ų134153.1 Ų153.172%0.71774%0.743SS**  trans-155.793.8172-154-4.6000112.8
685K27.5Very low26.2Very low160 Ų160154.9 Ų154.970%0.69675%0.745SS**  174.3137.9103.8-89.6-174.8177.7-177.80113.3
686Q23.9Very low26.6Very low130 Ų130157.4 Ų157.461%0.60776%0.757SS**  21.2146.3119.4-35.1168.7-72.100118.4
687H26Very low26.5Very low163 Ų163157 Ų15776%0.75576%0.759SS**  cis-140.9155.424.9-112.2-79.7000112.9
688K24.5Very low26.5Very low188 Ų188154.5 Ų154.582%0.81775%0.749SS**PPolyproline II helixtrans-69.2156.2167-94.1-172.9174.4-177.40111.8
689H28.9Very low26.4Very low187 Ų187151.3 Ų151.387%0.86674%0.744SS**PPolyproline II helixtrans-60152.3178.4-94.1-114.8000114.9
690V23.9Very low26.1Very low116 Ų116155.1 Ų155.170%0.70375%0.754SS**PPolyproline II helixtrans-96.6133.2164.7170.10000108.1
691Y22.2Very low25.8Very low201 Ų201157.6 Ų157.679%0.78876%0.756SS**  trans59.2148167.8-74.6-139.3000114.5
692Q26.7Very low25.6Very low175 Ų175159.3 Ų159.382%0.81876%0.76SS**  cis-156171.347.2-168.7161.55.300112.5
693Q25.2Very low25.5Very low164 Ų164159.8 Ų159.877%0.76676%0.762SS**  trans-67.6152.5-172.2-65.1141.9-52.700115.1
694L31.6Very low25.5Very low165 Ų165157.1 Ų157.186%0.86475%0.75SS**  trans-56.8165.2158.5-73.4150.2000112.9
695K34.9Very low25.6Very low176 Ų176155.3 Ų155.377%0.76575%0.748SS**  trans65.295.7163.1-68.1-179.4176.4-178.60117.3L697K695-L697 HydrophobicContact CB-CD1 4.28Å
696L34.1Very low25.6Very low173 Ų173155.3 Ų155.391%0.90675%0.75SS**  -152.1127.2128.4-95133.8000109.2
697L24.6Very low25.8Very low122 Ų122154.5 Ų154.564%0.63975%0.75SS**  cis-154.5155.6-27.7-150.268.4000110.3K695K695-L697 HydrophobicContact CB-CD1 4.28Å
698N24.2Very low25.7Very low113 Ų113154 Ų15460%0.60475%0.748SS**  trans11.1142.6153.1-77.346.9000122.3
699D23.1Very low25.6Very low121 Ų121150.1 Ų150.165%0.64775%0.745SS**  trans58.990.9144.7-54.8-40.2000117.3
700Q21.9Very low25.5Very low200 Ų200146.7 Ų146.794%0.93574%0.742SS**  -111.2113.2115.5-72.4-155.1-1900110.7
701Q21.8Very low25.6Very low144 Ų144146.2 Ų146.267%0.67374%0.741SS**  trans-61.5165.7153.4-63175.3-14.600109.2
702H21.8Very low25.7Very low155 Ų155143.7 Ų143.772%0.71874%0.74SS**  trans78.8103.1174.6-55.8-86.3000117.7
703K22.9Very low25.6Very low176 Ų176141.9 Ų141.977%0.76573%0.734SS**  48.7122.4116-71.6-176.9174.1-175.80119.8
704I21.6Very low25.6Very low136 Ų136139.7 Ų139.770%0.69774%0.737SS**  75.6102.4128.7-59.9168000117.5
705S26.1Very low25.1Very low96 Ų96139.7 Ų139.767%0.67173%0.732SS**  trans62.8-169.6149.575.90000115.8
706Q28.5Very low25.2Very low160 Ų160136.6 Ų136.675%0.74873%0.732SS**  cis-147.2162.26.6-137.2166.6-28.800107.1
707D27.9Very low25Very low114 Ų114134.3 Ų134.361%0.6172%0.721SS**  173.514671.6-120.414.2000107.7
708Q23.7Very low24.9Very low152 Ų152137.7 Ų137.771%0.7173%0.73SS**  cis-143.5143-10.4-69.4-170.38.400111
709S23.2Very low24.8Very low107 Ų107135.2 Ų135.275%0.74873%0.732SS**  148.4110.4121.559.40000114.1
710S24.9Very low24.8Very low114 Ų114139 Ų13980%0.79774%0.742SS**  trans55.6149.6154.457.70000121.8
711P27.8Very low24.9Very low106 Ų106135.7 Ų135.769%0.68874%0.736SS**  cis-137.8148.3-38.537.4-21000115.2
712I24.1Very low25Very low149 Ų149137.5 Ų137.576%0.76474%0.741SS**  trans71109.9137.6-66.8173.3000120.6
713I24.7Very low25.3Very low136 Ų136139.9 Ų139.970%0.69774%0.744SS**  trans69.8128.3139.6-65.4176.4000121E715I713-E715 HydrophobicContact CG2-CB 4.28Å; I713-E715 HydrophobicContact CG2-CG 3.88Å
714S24Very low25.7Very low119 Ų119137.2 Ų137.283%0.83274%0.738SS**  trans-96.3118.5150.658.40000110.6
715E22.1Very low26Very low164 Ų164137.9 Ų137.977%0.76674%0.743SS**  trans-114.6149.8164-95-169.8166.600110.4I713I713-E715 HydrophobicContact CG2-CB 4.28Å; I713-E715 HydrophobicContact CG2-CG 3.88Å
716C36.1Very low26.2Very low111 Ų111136.6 Ų136.675%0.7575%0.745SS**  trans-127.8129.1155.1-1750000107.7
717N30.3Very low26Very low126 Ų126138.6 Ų138.667%0.67475%0.751SS**SBendtrans63.5100.8178.4-65.2-53.7000117.2
718K23.3Very low25.9Very low192 Ų192138 Ų13884%0.83576%0.756SS**  166.6160.798.1-87.5141.8-164.21620113.5
719G21.2Very low25.8Very low62 Ų62136.4 Ų136.464%0.63976%0.757SS**  113.149.5129.400000121.1
720K23.4Very low25.9Very low200 Ų200137.7 Ų137.787%0.8775%0.753SS**  trans-164.4129.1136.9-96.7136-170.1172.10107.9
721V23.3Very low25.8Very low131 Ų131139 Ų13979%0.79475%0.751SS**  cis64.253.724.8-1580000112.8
722K24.4Very low25.7Very low182 Ų182142.4 Ų142.479%0.79175%0.751SS**  -112.5128.5110.2-79.6-179.2-179.8176.70106.1
723R28.8Very low25.8Very low205 Ų205141.7 Ų141.777%0.77475%0.749SS**  56.5130.497.6-63.1-166.4-179.3153.3-0.4114.1
724D30Very low25.8Very low119 Ų119141 Ų14164%0.63674%0.743SS**  cis-160.3156.8-9.1-96.4-34.6000109.4G726D724-G726 PolarHBondContact O-N 3.19Å
725N29.1Very low26.3Very low150 Ų150140.8 Ų140.880%0.80274%0.739SS**  trans38.270.2143-55.8-30.7000121.1
726G29.3Very low26.7Very low69 Ų69137.1 Ų137.171%0.71173%0.731SS**  63.7-175.9120.300000122.2D724D724-G726 PolarHBondContact O-N 3.19Å
727K25.5Very low26.4Very low203 Ų203138 Ų13888%0.88373%0.728SS**  trans64.1162.2-174.6-63.1-176.2177.8-179.20115.8
728S23.8Very low26.3Very low101 Ų101139.7 Ų139.771%0.70673%0.729SS**  trans61.2112163.522.80000118.4
729T22.5Very low26.5Very low119 Ų119137.3 Ų137.373%0.7372%0.724SS**  9.8148114.857.30000119
730I24.7Very low26.8Very low133 Ų133140.3 Ų140.368%0.68273%0.73SS**  trans90.397.5165.8-54.7162.4000114.6Y732I730-Y732 HydrophobicContact CG2-CD2 3.77Å; I730-Y732 HydrophobicContact CG2-CE2 3.59Å
731L23Very low26.9Very low142 Ų142136 Ų13674%0.74372%0.724SS**  42.2167.4116.4-63.8166.4000121.9
732Y26.1Very low26.9Very low178 Ų178134.9 Ų134.970%0.69872%0.722SS**  trans89.2134.3162.8-51.8-65.7000116.3I730I730-Y732 HydrophobicContact CG2-CD2 3.77Å; I730-Y732 HydrophobicContact CG2-CE2 3.59Å
733D26.6Very low26.8Very low134 Ų134134.7 Ų134.772%0.71772%0.724SS**  cis-152.2173.41-132.3-24.1000117.9
734E24.9Very low26.5Very low120 Ų120133 Ų13356%0.56173%0.729SS**  trans-37.4158.8169.9-114.4-159.6-157.400116.2
735P33.6Very low26.4Very low115 Ų115130.4 Ų130.475%0.74773%0.73SS**  -127.4161.156.239.8-27.1000113.6
736S31.6Very low26.2Very low88 Ų88132.2 Ų132.262%0.61573%0.734SS**SBendcis-174.2151.410.527.10000107.6
737L28.5Very low26.1Very low130 Ų130136.2 Ų136.268%0.68174%0.739SS**  cis-149.2134.62-87.1128.7000110
738K28.6Very low26.3Very low161 Ų161130.9 Ų130.970%0.772%0.723SS**  trans67.9144.2137.2-68.6-173.5172.5-171.90121.1
739I26.5Very low26.4Very low142 Ų142135.9 Ų135.973%0.72873%0.728SS**  cis-157.1176.3-10.7-126.5167.4000112
740T27.5Very low26.8Very low124 Ų124134.7 Ų134.776%0.76172%0.72SS**  trans-95.8-174.8-16757.40000116.6
741C26.6Very low27Very low110 Ų110134.4 Ų134.474%0.74372%0.72SS**  trans-57.3167.2154.4-33.60000111.6
742S22.7Very low27.2Very low107 Ų107134.6 Ų134.675%0.74872%0.717SS**  cis-147.9160.48.6-67.20000111.4
743E23Very low27.9Very low178 Ų178132 Ų13283%0.83272%0.719SS**  trans61.1145161.4-68.5-171.9171.100121
744L22.7Very low27.8Very low170 Ų170132.4 Ų132.489%0.8972%0.722SS**  trans60.3159.9166.9-74.6162.4000118
745G26.6Very low28.2Very low64 Ų64130.8 Ų130.866%0.6672%0.724SS**  trans61.498168.200000115.6
746Q24.9Very low28Very low188 Ų188136 Ų13688%0.87973%0.73SS**  25.1100.267-60.3-171.726.300113.6
747L28Very low27.8Very low154 Ų154139.2 Ų139.281%0.80673%0.733SS**  -168.988.1123.3-91.2-179.8000105.6
748T29.8Very low27.6Very low90 Ų90141.6 Ų141.655%0.55274%0.738SS**  76.8133.490.1550000114.1
749Y27Very low27.8Very low207 Ų207140 Ų14081%0.81274%0.744SS**  trans73.1147.7141.3-74.4-148.8000114.8
750T29.9Very low27.5Very low93 Ų93137.7 Ų137.757%0.57174%0.74SS**  cis-161.7145.3-3.513.50000108.6
751N28.6Very low27.4Very low127 Ų127136.3 Ų136.368%0.67974%0.735SS**  trans63.2172143-56.41.7000116.2
752E28.3Very low27.4Very low146 Ų146139.5 Ų139.568%0.68274%0.739SS**  cis-144.8-167-6.9-141.3140-126.200110
753V39.9Very low27.4Very low123 Ų123139.8 Ų139.875%0.74574%0.741SS**  trans52.769.5170.2-157.90000114.5
754N24.5Very low27.5Very low144 Ų144134.7 Ų134.777%0.7774%0.737SS**  cis60.65228.9-148.66000114.3
755S33.4Very low27.6Very low86 Ų86131.4 Ų131.460%0.60172%0.723SS**  trans-152.5136.6165.5100.40000108.7
756Y28.6Very low27.5Very low223 Ų223134 Ų13488%0.87572%0.721SS**  cis-129.9172.5-0.2-107.1-86.1000112.7
757F28Very low27.9Very low156 Ų156131.4 Ų131.468%0.68472%0.72SS**  trans-77.8166.6-164.6-86.4-130.6000116.9
758K25.3Very low27.7Very low181 Ų181133.1 Ų133.179%0.78772%0.716SS**  trans-11.8159.7133.8-58.4164.7-177.9156.10116.5
759P31.2Very low27.7Very low126 Ų126133.1 Ų133.182%0.81872%0.718SS**  cis-131.1-124.2-2.637-15.2000112.1
760C22.1Very low27.6Very low94 Ų94132.9 Ų132.964%0.63572%0.715SS**  trans-57.3149.4-172.7-63.30000115.6
761S24.6Very low27.6Very low96 Ų96135.6 Ų135.667%0.67172%0.721SS**  trans60.2104.7153.849.10000118.7
762Q25.5Very low27.5Very low176 Ų176135.9 Ų135.982%0.82272%0.717SS**  71101124.9-68.6170.5-52.500119.7
763S24.7Very low27.6Very low114 Ų114137.7 Ų137.780%0.79772%0.723SS**  80.8145113.776.10000121.3
764G24.2Very low27.1Very low71 Ų71136.2 Ų136.273%0.73272%0.718SS**  trans105.6-179.1149.100000116.1
765V24.1Very low27.3Very low100 Ų100136.5 Ų136.561%0.60672%0.719SS**  cis-138.7107.810.5169.50000112
766I25.8Very low27.2Very low119 Ų119138.8 Ų138.861%0.6172%0.723SS**  trans54141.4131.4-49.3173.1000118.3R768I766-R768 HydrophobicContact CB-CG 4.32Å; I766-R768 HydrophobicContact CG2-CB 4.28Å; I766-R768 HydrophobicContact CG2-CG 3.9Å
767P32.3Very low27.1Very low133 Ų133133.4 Ų133.486%0.86471%0.713SS**SBend-118.4136.4128.134.7-31000112.2
768R24.2Very low27.2Very low191 Ų191130.7 Ų130.772%0.72171%0.713SS**  cis175.6156.8-36.3-109.2-179-173.4-171.61.3104.2I766I766-R768 HydrophobicContact CB-CG 4.32Å; I766-R768 HydrophobicContact CG2-CB 4.28Å; I766-R768 HydrophobicContact CG2-CG 3.9Å
769P28.7Very low27.2Very low90 Ų90130.4 Ų130.458%0.58472%0.715SS**  cis-138.5-16217.232-6.6000113.4
770R25.2Very low26.8Very low201 Ų201133.5 Ų133.576%0.75872%0.715SS**  trans57.5132.3132.9-86175-173.5154.51.5119.3F772R770-F772 HydrophobicContact CG-CE2 4.33Å
771E30.4Very low27.5Very low151 Ų151134.2 Ų134.271%0.70672%0.719SS**  cis-158.4168.516.4-60.9-143.5141.800109.6
772F27.3Very low27.4Very low133 Ų133136.2 Ų136.258%0.58373%0.727SS**  cis-166.5151.9-33.5-113.2-59.4000108.8R770R770-F772 HydrophobicContact CG-CE2 4.33Å
773F29.4Very low27.4Very low184 Ų184133.4 Ų133.481%0.80773%0.727SS**  trans59.8149.9159.3-64.9-59.3000118.4
774S29.9Very low27.6Very low92 Ų92131.5 Ų131.564%0.64373%0.725SS**  cis-150.4145.215.155.40000113.4
775L29.1Very low27.7Very low150 Ų150137 Ų13779%0.78573%0.731SS**  trans59.4155.4140.4-59.8168.3000122.4
776I30.6Very low27.7Very low134 Ų134141.7 Ų141.769%0.68774%0.744SS**  cis-164.2153.1-39.6-134.6-170.8000112.3
777T27.5Very low27.8Very low109 Ų109145.7 Ų145.767%0.66976%0.757SS**  trans44164.8158.369.20000126
778S30.1Very low27.3Very low99 Ų99143.4 Ų143.469%0.69274%0.744SS**  trans70127.5150.340.20000118.5
779E24.3Very low27.2Very low176 Ų176143.1 Ų143.182%0.82275%0.748SS**  cis79.9120.439.9-65.9-144.7120.600115.9
780K23Very low27Very low190 Ų190145.3 Ų145.383%0.82676%0.755SS**  43.4157.9126.1-94.3-166.2172.4-175.10121.7
781P36.4Very low26.9Very low109 Ų109142.9 Ų142.971%0.70876%0.755SS**  -133.7-160.6-119.334.3-11000114.7
782V22.6Very low27Very low138 Ų138145.3 Ų145.384%0.83676%0.764SS**  trans90.896.2161-165.90000118.2
783S25.2Very low27Very low118 Ų118143.4 Ų143.483%0.82577%0.765SS**  trans-161.4120.5131.757.40000106
784G28.4Very low26.7Very low73 Ų73140.8 Ų140.875%0.75376%0.758SS**  116.5142.760.200000106.5
785Q27.3Very low26.3Very low187 Ų187145.1 Ų145.187%0.87477%0.765SS**  cis-136.71276.7-64.5-177.12.700108.6
786K23.9Very low26.1Very low199 Ų199142.4 Ų142.487%0.86576%0.759SS**  57.3102.395.3-78.7-170.9172.6-176.90116.7
787K27.1Very low26Very low203 Ų203140.7 Ų140.788%0.88376%0.764SS**  162.7156127-90.3170.7-179.1-178.10110.3
788S22.2Very low25.9Very low85 Ų85141.2 Ų141.259%0.59477%0.767SS**  cis-178.8140.3-41.648.10000110
789F23.1Very low25.9Very low185 Ų185142.3 Ų142.381%0.81177%0.77SS**  trans65.5128.3167.2-68.6-75000120.2
790D23.5Very low26Very low136 Ų136139.3 Ų139.373%0.72776%0.763SS**  trans49.7-178.4136.6-55.9-24000122.2
791I23.5Very low26.2Very low149 Ų149135.1 Ų135.176%0.76476%0.758SS**  trans69.695.4161-62.1163.9000115
792K32.6Very low26Very low202 Ų202138.5 Ų138.588%0.87876%0.764SS**  trans-53.8138.6131.7-73.8-178.1178.7-179.40106
793P27.1Very low26.6Very low93 Ų93137.9 Ų137.960%0.60476%0.763SS**  -161.8-178.165.846.3-24.9000117.7
794I22.3Very low26.7Very low130 Ų130139.9 Ų139.967%0.66776%0.759SS**  59.8117.7127.4-78.7170.3000121.8
795K23.3Very low26.8Very low182 Ų182143.5 Ų143.579%0.79176%0.76SS**  trans65.4164.1130.4-66-172.6-158.5178.30120
796S24Very low27.2Very low94 Ų94139.5 Ų139.566%0.65775%0.752SS**  cis-171.9137-29.455.70000111.6
797A28.8Very low27.6Very low97 Ų97137 Ų13780%0.80275%0.748SS**  trans-156.2119.4148.700000106
798V25Very low27.5Very low121 Ų121134.9 Ų134.973%0.73375%0.745SS**  cis80.3143.134.7-170.70000112.5
799V30.5Very low27.8Very low122 Ų122136.9 Ų136.974%0.73976%0.759SS**  trans74.891.4-167.5-166.70000111.9
800T26.5Very low28.1Very low113 Ų113137.1 Ų137.169%0.69376%0.76SS**  cis79.1147.246.777.60000115.9
801S27Very low28.2Very low101 Ų101135.5 Ų135.571%0.70676%0.759SS**  trans63.7125.7158.446.10000118.6
802E32.3Very low28.3Very low181 Ų181136.6 Ų136.685%0.84677%0.766SS**  trans-54.9145.7165.6-61.2146.3129.300111.5
803P35.9Very low28.5Very low125 Ų125132.8 Ų132.881%0.81276%0.762SS**  -107.8123.6129.230.7-30.6000109.6
804E26.1Very low28.6Very low159 Ų159131.8 Ų131.874%0.74377%0.768SS**  trans-60.8165.9174.2-58179.3103.500112.8
805I31.6Very low28.9Very low150 Ų150133.2 Ų133.277%0.76978%0.783SS**SBendtrans67.2111.4159.1-59.4144.6000114.5
806S34.1Very low29.1Very low102 Ų102128.1 Ų128.171%0.71378%0.782SS**SBendcis-154.833.72.547.80000111.2
807L33.1Very low29.2Very low148 Ų148128.4 Ų128.478%0.77579%0.79SS**  trans-141.5147-154.1-76.2157.1000114.3
808L25.4Very low29.2Very low157 Ų157133.1 Ų133.182%0.82280%0.796SS**  trans15.1129.4143.7-59.5167.7000119.8
809S27.8Very low29.6Very low127 Ų127134.8 Ų134.889%0.88880%0.801SS**  174.7-147.7110.358.90000113
810K29.2Very low29.6Very low190 Ų190133.4 Ų133.483%0.82679%0.794SS**  trans-135.9152.2-154.6-61.2176.4179.7175.20115
811S26Very low29.8Very low102 Ų102137.6 Ų137.671%0.71380%0.799SS**  trans75129.8141.452.90000124.1
812L25.6Very low29.9Very low172 Ų172140.4 Ų140.490%0.90180%0.8SS**  trans79.5157.5154.4-87.480.2000121.5
813P37.8Very low29.6Very low123 Ų123139 Ų13980%0.79980%0.796SS**  trans-133.6173.1-157.744-27.8000117.8
814G27.7Very low29.3Very low72 Ų72139.1 Ų139.174%0.74280%0.796SS**  trans168112.9158.300000121
815V28.7Very low29.4Very low159 Ų159134.7 Ų134.796%0.96479%0.787SS**  trans46.6125.9142.5-171.80000121.9
816G27.3Very low29.1Very low76 Ų76134.3 Ų134.378%0.78479%0.786SS**  trans167.2121150.800000114.7
817A27.2Very low28.8Very low100 Ų100137.8 Ų137.883%0.82679%0.789SS**  trans-148.6112.817500000112.3
818E27.5Very low28.5Very low196 Ų196135.9 Ų135.992%0.91678%0.784SS**  trans-172.2155.5148.9-109.7169.1-159.300110
819N33.9Very low28.5Very low156 Ų156134.8 Ų134.883%0.83478%0.779SS**  trans-40.4158.6-177.7-75.7-33.3000117.2
820P32Very low28.7Very low93 Ų93136 Ų13660%0.60478%0.775SS**  cis-150.7171.640.940.7-19.7000119.5
821Y29.3Very low28.8Very low201 Ų201132.5 Ų132.579%0.78877%0.772SS**  165.8147.7117.6-87.3-60.2000113.8
822H28.7Very low28.7Very low160 Ų160135.8 Ų135.874%0.74178%0.781SS**  trans16.3120.5169.2-67.8-81.8000121.4
823M25.9Very low28.8Very low152 Ų152135.3 Ų135.375%0.74978%0.779SS**  68.9128.670.4-83.6-86165.200113.9A825M823-A825 HydrophobicContact SD-CB 4.3Å
824P30.7Very low28.2Very low126 Ų126137.2 Ų137.282%0.81878%0.781SS**  -126.1167.97240.5-34.2000116.5
825A28.4Very low28.2Very low67 Ų67140.4 Ų140.455%0.55478%0.781SS**  trans-85179.5164.900000110.3M823M823-A825 HydrophobicContact SD-CB 4.3Å
826D24.4Very low28Very low141 Ų141138.7 Ų138.775%0.75478%0.776SS**  cis-159.7-172.912.7-143.8-33.5000109.9
827F28.1Very low27.9Very low175 Ų175139.6 Ų139.677%0.76877%0.77SS**  trans80.9115.6166.4-70.6-82.4000121.6
828T27.2Very low27.9Very low109 Ų109142.1 Ų142.167%0.66977%0.769SS**  41136.2129.562.20000121.3
829N26Very low27.9Very low134 Ų134137.3 Ų137.372%0.71776%0.757SS**  cis-154.11640.8-74.6-40.8000108.5
830D31.9Very low27.5Very low153 Ų153139.3 Ų139.382%0.81876%0.758SS**  162144.8119.9-84.8-17.8000111.8
831P30.2Very low27.2Very low115 Ų115142.1 Ų142.175%0.74777%0.767SS**  trans-130.796.8-139.635.1-15.2000115.5L833P831-L833 VanDerWaalsContact C-N 3.34Å
832D23.6Very low27.1Very low172 Ų172137.2 Ų137.292%0.9276%0.762SS**SBendtrans-96.548.8161.1-106.5-25000111.3
833L27.3Very low27Very low162 Ų162135.3 Ų135.385%0.84877%0.766SS**  trans-160.8101.2163.5-144.681.7000113.8P831P831-L833 VanDerWaalsContact C-N 3.34Å
834L25.7Very low26.8Very low162 Ų162135.5 Ų135.585%0.84877%0.77SS**  trans-167.8153.4144-112.5175.1000112.2
835L28.7Very low27Very low139 Ų139134.7 Ų134.773%0.72876%0.764SS**  trans68.651.1168.6-56.6-176.9000119.2S837L835-S837 PolarHBondContact O-N 2.82Å
836S23.7Very low27Very low123 Ų123136.5 Ų136.586%0.8677%0.772SS**  trans-77.558.4141.5490000111.8
837S26.1Very low27.1Very low96 Ų96138 Ų13867%0.67178%0.779SS**  trans-169.380170-84.30000114L835L835-S837 PolarHBondContact O-N 2.82Å
838L27.2Very low27Very low153 Ų153132.7 Ų132.780%0.80177%0.773SS**  trans168.594.4159.6-98169.1000105.3
839S26Very low26.8Very low94 Ų94134.5 Ų134.566%0.65778%0.779SS**  cis72.3117.329.594.90000113.8
840K26.4Very low26.8Very low198 Ų198135.3 Ų135.386%0.86178%0.783SS**  trans79121.2-156.3-55.5170-178.8177.20111.8
841L26Very low26.6Very low153 Ų153132.9 Ų132.980%0.80178%0.779SS**  cis-141.6128.27.1-78.2173.3000108.7
842S26.5Very low26.5Very low97 Ų97138.8 Ų138.868%0.67879%0.786SS**  67114.595.380.60000118.6
843C27Very low26.7Very low121 Ų121135.7 Ų135.782%0.81877%0.77SS**  trans43.9110.8140.1-550000122.2
844D22.3Very low26.7Very low155 Ų155136.7 Ų136.783%0.82977%0.77SS**  8.6159.4114.4-79.9-42.2000121.4
845P34.9Very low26.7Very low109 Ų109133.3 Ų133.371%0.70875%0.753SS**  cis-138.4-157.8-8.735.1-12.2000114.5
846C28Very low26.7Very low105 Ų105136 Ų13671%0.70976%0.755SS**  trans86.8108172.1-60.30000115.5
847L27.4Very low26.8Very low173 Ų173139.3 Ų139.391%0.90675%0.754SS**  81.6128.783.9-75.6166.8000112.6
848G24.5Very low26.8Very low63 Ų63139.1 Ų139.165%0.64975%0.753SS**  cis-165.7-171.5-1.200000113.7
849D23.6Very low26.7Very low147 Ų147137.2 Ų137.279%0.78674%0.743SS**  trans49.394.1164-58.2-9.2000119.6
850N25.7Very low26.8Very low151 Ų151138.9 Ų138.981%0.80775%0.749SS**  trans-162.642.9137.7-109.4-71.9000112.3W852N850-W852 PolarHBondContact O-N 3.01Å
851S28.2Very low26.8Very low103 Ų103138.9 Ų138.972%0.7275%0.752SS**  trans-68.6115.416948.40000110D853S851-D853 VanDerWaalsContact C-N 3.35Å; S851-D853 PolarHBondContact O-N 3.22Å
852W27.2Very low26.7Very low239 Ų239135.2 Ų135.291%0.90574%0.74SS**  trans-68.994.2170.3-83.743.7000109.3N850N850-W852 PolarHBondContact O-N 3.01Å
853D27.4Very low26.6Very low107 Ų107139 Ų13957%0.57275%0.746SS**  trans-70.8129.3-170-164.316.6000111.7S851 N855S851-D853 VanDerWaalsContact C-N 3.35Å; S851-D853 PolarHBondContact O-N 3.22Å; D853-N855 VanDerWaalsContact CG-ND2 3.25Å; D853-N855 PolarHBondContact O-N 2.79Å; D853-N855 VanDerWaalsContact O-N 3.17Å; D853-N855 PolarHBondContact OD1-ND2 2.64Å; D853-N855 PolarHBondContact OD2-ND2 2.72Å
854Q27.5Very low26.6Very low183 Ų183143.1 Ų143.186%0.85575%0.746SS**G310 helixtrans-794.4-173.2-69.4-170.8-22.300113.4Y856Q854-Y856 PolarHBondContact O-N 3.13Å
855N26.7Very low26.8Very low90 Ų90140.2 Ų140.248%0.48174%0.744SS.*G310 helixtrans-70.1-9.9175.6-65.9-36.2000114D853 F857 S858D853-N855 VanDerWaalsContact CG-ND2 3.25Å; D853-N855 PolarHBondContact O-N 2.79Å; D853-N855 VanDerWaalsContact O-N 3.17Å; D853-N855 PolarHBondContact OD1-ND2 2.64Å; D853-N855 PolarHBondContact OD2-ND2 2.72Å; N855-F857 PolarHBondContact O-N 3.31Å; N855-S858 PolarHBondContact O-N 2.9Å
856Y28.2Very low26.2Very low196 Ų196139.4 Ų139.477%0.76975%0.746SS**G310 helixtrans-63.55.5-179.5-149.6-92000115.7Q854Q854-Y856 PolarHBondContact O-N 3.13Å
857F26.6Very low26Very low192 Ų192142.2 Ų142.284%0.84275%0.753SS**G310 helixtrans-138.338.1175.4-86.8-77.4000113.1N855N855-F857 PolarHBondContact O-N 3.31Å
858S25.9Very low25.8Very low93 Ų93141.1 Ų141.165%0.6574%0.743SS**THydrogen-bonded Turntrans-137.8-30173.2-69.30000115.7N855 V860N855-S858 PolarHBondContact O-N 2.9Å; S858-V860 PolarHBondContact O-N 3.22Å
859D25.3Very low25.8Very low113 Ų113145.2 Ų145.260%0.60475%0.75SS**THydrogen-bonded Turntrans-97.266-171.7-61.1-53000114.1
860V27.2Very low25.8Very low128 Ų128144.7 Ų144.778%0.77675%0.745SS**THydrogen-bonded Turntrans-126.5-3.1177.8-1720000113.5S858S858-V860 PolarHBondContact O-N 3.22Å
861E26.3Very low25.8Very low198 Ų198140.2 Ų140.293%0.92572%0.721SS**SBendtrans-105.89.7176.7-66.3-169.1149.100113.9
862S24.9Very low25.7Very low77 Ų77141 Ų14154%0.53872%0.724SS.*SBendtrans-110.3-18.5-171.237.50000116.4
863E24Very low25.6Very low175 Ų175134 Ų13482%0.81870%0.703SS**G310 helixtrans-89.7-2.4-172.2-73.2-153.5129.700116.7
864Y27.7Very low25.5Very low209 Ų209132.6 Ų132.682%0.8270%0.7SS**G310 helixtrans-921.7-179.4-84.7-79.4000115.6A866Y864-A866 VanDerWaalsContact C-N 3.34Å; Y864-A866 PolarHBondContact O-N 2.82Å
865A24.9Very low25.5Very low94 Ų94132 Ų13278%0.77770%0.695SS**G310 helixtrans-81.1-7.6179.300000114.6L867A865-L867 PolarHBondContact O-N 3.17Å
866A22.8Very low25.3Very low92 Ų92136.9 Ų136.976%0.7671%0.706SS**THydrogen-bonded Turntrans-100.952.3-16600000114.8Y864Y864-A866 VanDerWaalsContact C-N 3.34Å; Y864-A866 PolarHBondContact O-N 2.82Å
867L23.6Very low25.2Very low163 Ų163135 Ų13585%0.85371%0.705SS**THydrogen-bonded Turntrans-153.713.9167.1-115.8177.2000117.4A865 L869A865-L867 PolarHBondContact O-N 3.17Å; L867-L869 PolarHBondContact O-N 3.1Å
868E23.6Very low25.1Very low150 Ų150130.1 Ų130.170%0.70169%0.694SS**  trans-99.650.4176-73.8-166.8169.600114.4Q1225E868-Q1225 PolarHBondContact OE1-NE2 3.31Å; E868-Q1225 PolarHBondContact OE2-NE2 3.28Å
869L23.6Very low25.2Very low149 Ų149134 Ų13478%0.7871%0.706SS**  trans-106.589.3151.4-79.3174.2000108.8L867L867-L869 PolarHBondContact O-N 3.1Å
870I25.1Very low25.4Very low136 Ų136132.4 Ų132.470%0.69770%0.701SS**  trans-172133.2147.2-99.1149.9000109.2
871L25.6Very low25.3Very low58 Ų58136.2 Ų136.230%0.30471%0.711SS.*  trans-62.7148173.8-68.1138.9000110.5I873 T1508 I1513L871-I873 HydrophobicContact CB-CG1 4.2Å; L871-I873 PolarHBondContact O-N 3.19Å; L871-T1508 HydrophobicContact CD1-CG2 3.44Å; L871-T1508 VanDerWaalsContact CD1-CG2 3.44Å; L871-I1513 HydrophobicContact CD1-CD1 4.01Å; L871-I1513 HydrophobicContact CD1-CG1 4.23Å; L871-I1513 HydrophobicContact CD1-CG2 4.04Å; L871-I1513 HydrophobicContact CG-CD1 4.4Å
872P25Very low25.4Very low118 Ų118130.4 Ų130.477%0.76670%0.696SS**  trans-71.369.8165.231.8-34.8000110.1P874P872-P874 WeakPolarHBondContact O-CD 3.31Å
873I26.5Very low25.5Very low92 Ų92133.7 Ų133.747%0.47270%0.703SS.*  trans-61.5121.8165.2-53.3174000106.1L871 K875 T1508L871-I873 HydrophobicContact CB-CG1 4.2Å; L871-I873 PolarHBondContact O-N 3.19Å; I873-K875 PolarHBondContact O-N 3.47Å; I873-T1508 HydrophobicContact CD1-CG2 3.82Å; I873-T1508 HydrophobicContact CG1-CG2 4.4Å
874P24.8Very low25.8Very low78 Ų78133.8 Ų133.851%0.50671%0.707SS.*  trans-64.2110.9169.726.9-32000107.5P872 R876 F1790P872-P874 WeakPolarHBondContact O-CD 3.31Å; P874-R876 PolarHBondContact O-N 3.17Å; P874-F1790 HydrophobicContact CB-CE1 4.3Å; P874-F1790 HydrophobicContact CB-CE2 4.33Å; P874-F1790 HydrophobicContact CB-CZ 3.58Å; P874-F1790 HydrophobicContact CG-CE2 4.14Å; P874-F1790 HydrophobicContact CG-CZ 3.68Å
875K26.7Very low25.7Very low172 Ų172127.3 Ų127.375%0.74870%0.697SS**  trans-58.5110.8177.6-80.9-171.9172.5-172.60109.3I873 E877I873-K875 PolarHBondContact O-N 3.47Å; K875-E877 PolarHBondContact O-N 3.11Å
876R23.4Very low25.9Very low191 Ų191130.3 Ų130.372%0.72170%0.7SS**  trans-66.684.4157.9-78.5-177.4167.3-178.8-4.5108.4P874 S878 H1573P874-R876 PolarHBondContact O-N 3.17Å; R876-S878 PolarHBondContact O-N 3.15Å; R876-H1573 PolarHBondContact NE-NE2 3.48Å; R876-H1573 PolarHBondContact NH1-NE2 3.36Å; R876-H1573 PolarHBondContact NH2-NE2 2.59Å
877E26.1Very low26.2Very low158 Ų158132.6 Ų132.674%0.73870%0.695SS**  trans-78.570.1153.1-74.6179.5-163.300107.5K875 L879K875-E877 PolarHBondContact O-N 3.11Å; E877-L879 PolarHBondContact O-N 3.29Å; E877-L879 VanDerWaalsContact O-N 3.09Å
878S24.4Very low26.4Very low89 Ų89133.4 Ų133.462%0.62270%0.699SS**  trans-72.493.8168.3520000108.4R876 T880R876-S878 PolarHBondContact O-N 3.15Å; S878-T880 PolarHBondContact O-N 3.44Å
879L28Very low26.5Very low173 Ų173130.3 Ų130.391%0.90669%0.687SS**  trans-85.398.2154.9-73177.9000107.7E877 E881E877-L879 PolarHBondContact O-N 3.29Å; E877-L879 VanDerWaalsContact O-N 3.09Å; L879-E881 PolarHBondContact O-N 2.7Å; L879-E881 VanDerWaalsContact O-N 3.14Å
880T30.1Very low26.7Very low81 Ų81131 Ų13150%0.49768%0.684SS.*  trans-61.4105163.925.80000108.6S878 A882 E883S878-T880 PolarHBondContact O-N 3.44Å; T880-A882 PolarHBondContact O-N 3.45Å; T880-E883 VanDerWaalsContact CB-OE2 3.28Å; T880-E883 WeakPolarHBondContact CB-OE2 3.31Å; T880-E883 PolarHBondContact OG1-OE2 2.91Å
881E25.1Very low26.8Very low208 Ų208132.4 Ų132.497%0.97269%0.685SS**THydrogen-bonded Turntrans-73.241174.9-158.6167-144.700111.3L879L879-E881 PolarHBondContact O-N 2.7Å; L879-E881 VanDerWaalsContact O-N 3.14Å
882A26.5Very low26.8Very low76 Ų76137.5 Ų137.563%0.62871%0.711SS**THydrogen-bonded Turntrans-149.5-4.2-16500000114.5T880T880-A882 PolarHBondContact O-N 3.45Å
883E28.7Very low27Very low145 Ų145136.6 Ų136.668%0.67871%0.708SS**SBendtrans-116.929.7-177.3-69.8173.2118.900112.8T880T880-E883 VanDerWaalsContact CB-OE2 3.28Å; T880-E883 WeakPolarHBondContact CB-OE2 3.31Å; T880-E883 PolarHBondContact OG1-OE2 2.91Å
884I28.7Very low26.9Very low177 Ų177140.3 Ų140.391%0.90872%0.723SS**SBendtrans-122.946.5162.8-44.5-177.5000109.1
885A26.1Very low27.1Very low74 Ų74141.4 Ų141.461%0.61274%0.738SS**SBendtrans-144.9119.7168.700000106.6
886L29.7Very low27.3Very low157 Ų157140.6 Ų140.682%0.82274%0.741SS**SBendtrans66121.7-153.4-44.5170.4000110.8
887E29.3Very low27.9Very low140 Ų140136.3 Ų136.365%0.65474%0.738SS**  cis-134.2118.53.4-163.578.4144.300111.1
888L26.7Very low28Very low180 Ų180134.8 Ų134.894%0.94274%0.735SS**  trans-135.439.2162.2-135.6-179.5000110.2
889D25.8Very low28.3Very low85 Ų85137.9 Ų137.946%0.45574%0.739SS.*  trans-104.3133.7161.1-174.912.6000108.5
890K28.6Very low28.2Very low164 Ų164136 Ų13671%0.71374%0.735SS**  trans49.2125-172-58.3112.3-168.9168.50116
891K26.9Very low28Very low165 Ų165138.1 Ų138.172%0.71775%0.753SS**  cis-128.6116.533.9-72.5-171.1177.4-176.80114.4E894K891-E894 HydrophobicContact CD-CG 4.49Å
892L26.5Very low28.1Very low165 Ų165131.8 Ų131.886%0.86474%0.743SS**SBendtrans-68148.3131-118.1164.6000108.3
893S28.4Very low28Very low98 Ų98132.6 Ų132.669%0.68575%0.75SS**  trans58108.9179.4570000117.5
894E25.1Very low27.9Very low171 Ų171135.6 Ų135.680%0.79976%0.761SS**  trans-99.4128.8139.9-69.8-166126.200108.9K891K891-E894 HydrophobicContact CD-CG 4.49Å
895A29.4Very low27.8Very low100 Ų100131.9 Ų131.983%0.82675%0.747SS**  trans-151.6152.8162.700000107.5
896I29.3Very low27.7Very low155 Ų155135.5 Ų135.580%0.79576%0.755SS**  trans-135.1152.5-157.6-64.3171.3000107.8
897P37.4Very low27.7Very low102 Ų102134.9 Ų134.966%0.66275%0.751SS**  cis-125.5-172.6-7.928.8-6.4000114.1
898D28.2Very low27.7Very low126 Ų126135.5 Ų135.567%0.67476%0.758SS**  136.4137.5112.1-114.8-26.1000120.3
899Q30.4Very low27.8Very low153 Ų153133.6 Ų133.672%0.71575%0.748SS**  trans45.5105.7153.3-77.4162.372.400125.6
900V25.4Very low28.1Very low134 Ų134134.2 Ų134.281%0.81276%0.757SS**  57.4115.8112178.70000121.6
901S25.2Very low28Very low126 Ų126132.5 Ų132.588%0.88176%0.756SS**  trans76.6158.3146.6-158.60000120.7
902G27.2Very low28Very low74 Ų74131 Ų13176%0.76376%0.761SS**  trans108.9113.1164.400000115.6
903A25.5Very low27.9Very low93 Ų93127.5 Ų127.577%0.76975%0.75SS**  trans-119.7113.9172.100000111.7
904F26Very low27.8Very low208 Ų208129.8 Ų129.891%0.91275%0.754SS**  trans-167.4144.1162.1-97-87.7000105.2
905V27.2Very low27.8Very low100 Ų100125.5 Ų125.561%0.60675%0.748SS**  cis175.5140.1-10.9123.90000104.2
906N24.2Very low27.8Very low149 Ų149127.3 Ų127.380%0.79774%0.743SS**  trans62.5165.2177.1-55-21.1000114.1
907I28.4Very low27.8Very low144 Ų144126.9 Ų126.974%0.73874%0.743SS**  cis-143134.128.6-75.6175.7000111.2
908I29.6Very low27.4Very low153 Ų153126.2 Ų126.279%0.78575%0.746SS**  trans57.3132.8155.7-62.2166.1000120.4
909N29.6Very low27.4Very low140 Ų140126.2 Ų126.275%0.74975%0.75SS**  trans-125.3130.1150.5-175.815.9000105.8
910P32.4Very low27.4Very low99 Ų99124.1 Ų124.164%0.64375%0.752SS**  -154.9153.6103.640-21.5000118.1
911N25.3Very low27.6Very low128 Ų128123.4 Ų123.468%0.68475%0.753SS**  trans20.1129.6138-55-5.2000122.7
912T26.9Very low27.8Very low133 Ų133120.6 Ų120.682%0.81674%0.744SS**  trans58.3141.4135.462.40000119.9
913S24.6Very low27.9Very low92 Ų92126.8 Ų126.864%0.64375%0.75SS**  cis-168.7177.840.9600000114.6
914L26Very low27.9Very low146 Ų146127.9 Ų127.976%0.76475%0.751SS**  trans55109.3150.4-103.665.6000123.9
915A25.8Very low28Very low81 Ų81126 Ų12667%0.66975%0.749SS**  46.9142.3116.600000123.6
916N29.7Very low27.7Very low137 Ų137129.6 Ų129.673%0.73376%0.76SS**  -174.6131.9120.1-101.4-53.6000114.1
917N29.1Very low28.3Very low146 Ų146128 Ų12878%0.78176%0.758SS**  trans62.7161.7145.6-58.3-27.8000118.4
918A28.7Very low28Very low89 Ų89124.8 Ų124.874%0.73676%0.76SS**  cis-173.2165.3-14.500000107.1
919V29.3Very low27.8Very low126 Ų126127.7 Ų127.776%0.76476%0.762SS**  cis-166.1163.5-8.8128.20000108.1
920S29.3Very low27.5Very low108 Ų108129.3 Ų129.376%0.75576%0.763SS**  trans71.8154.2169.481.10000117.2
921S29.6Very low27.1Very low119 Ų119128.8 Ų128.883%0.83276%0.762SS**  cis-165158-23.252.70000108.7
922G28.7Very low27.1Very low67 Ų67129.1 Ų129.169%0.69176%0.763SS**  cis174.7-176.4-400000111.8
923K29.6Very low26.9Very low204 Ų204129.2 Ų129.289%0.88776%0.764SS**  trans76.1110.9-177.7-57.1-179.7-179178.90114.5
924C26.1Very low26.9Very low117 Ų117133.9 Ų133.979%0.79178%0.776SS**  81.2134.568.7-69.60000112.6
925L27.4Very low26.8Very low167 Ų167131.1 Ų131.187%0.87477%0.774SS**  cis-154.2176.95.9-116.8165.3000110.8
926E20.8Very low27Very low177 Ų177134.6 Ų134.683%0.82778%0.78SS**  trans-105.9-152.1-176.7-151.6-161.7-145.500112.6
927P37.3Very low26.8Very low115 Ų115136.6 Ų136.675%0.74778%0.782SS**  -111.6-178.4-125.640.2-23.8000116.1
928G22.8Very low26.5Very low76 Ų76134 Ų13478%0.78478%0.776SS**  trans-164.5164.8175.600000114.9
929Y25.2Very low26.4Very low214 Ų214135.5 Ų135.584%0.83978%0.781SS**  trans-133.2155.9-169-107.7-87.3000112.9
930F22.6Very low26.1Very low174 Ų174137.4 Ų137.476%0.76378%0.781SS**  trans64.4131.6158.6-80.5-65.3000121.5
931S24.8Very low26Very low88 Ų88142.6 Ų142.662%0.61578%0.784SS**  35.8144.7125.6-71.50000122
932D23.7Very low25.7Very low135 Ų135144.7 Ų144.772%0.72278%0.778SS**  cis-164.2-176.18.5-110-1.5000111.6
933T24.3Very low25.5Very low136 Ų136149.6 Ų149.683%0.83478%0.781SS**  trans74.3116.2158.341.20000121.2
934E24.3Very low25.1Very low190 Ų190149 Ų14989%0.88878%0.778SS**  trans-43.3151.9157.1-47.5167.8121.100115.5
935A23.7Very low25.5Very low87 Ų87148.2 Ų148.272%0.71977%0.772SS**  -174.5171.1120.100000111.6
936I28.9Very low25.4Very low154 Ų154147.8 Ų147.879%0.7977%0.77SS**  trans71120.7164.8-46.7-179.8000116.3
937F26.6Very low25.7Very low179 Ų179144 Ų14479%0.78576%0.763SS**  cis-160145.5-26-127.6-74.2000108.4
938S22.6Very low25.1Very low92 Ų92145.7 Ų145.764%0.64377%0.766SS**  trans15.4132157.462.10000121.4
939S27.4Very low25.8Very low121 Ų121146.5 Ų146.585%0.84676%0.757SS**  -163.6155.5101-88.90000115.2
940Q22.7Very low25.8Very low165 Ų165143 Ų14377%0.77175%0.753SS**  trans-87178.1-179.9-58.7171.3-900112.3
941R26.7Very low25.9Very low217 Ų217141.6 Ų141.682%0.81975%0.753SS**  trans88.1151.6156.9-59-179.3-168.8-172.85117.1
942K23.6Very low26Very low164 Ų164143.5 Ų143.571%0.71377%0.765SS**  cis-176.1146.8-35.1-126.8173.4176.1179.90108.5
943F23.5Very low26.1Very low169 Ų169145.8 Ų145.874%0.74177%0.769SS**  trans63.2125168.1-61-65.4000117
944K23.2Very low26.1Very low191 Ų191146.9 Ų146.983%0.8377%0.768SS**  58.6151.574.9-95.5-166.7175.6-174.30114.7
945P33.3Very low26.3Very low102 Ų102143 Ų14366%0.66276%0.76SS**  cis-135.9-173.6-15.739.8-22.3000113.6
946L24.5Very low26.4Very low157 Ų157147 Ų14782%0.82277%0.767SS**  -178.5131.9120.9-95.3161000113.9
947S27.6Very low26.2Very low98 Ų98143.6 Ų143.669%0.68576%0.762SS**  trans24122.4152.1-460000124.3
948D24.8Very low26.1Very low151 Ų151140.6 Ų140.681%0.80776%0.763SS**  28.6156.693.3-80.8-2.9000120.8
949P38.1Very low26.3Very low93 Ų93142.2 Ų142.260%0.60477%0.769SS**  cis-144.8-164.3-35.738.8-18.6000113.5
950N24.8Very low26.4Very low139 Ų139139.9 Ų139.974%0.74376%0.757SS**  trans118.2144.4149.2-63.7-54.7000120.7
951N25Very low26.7Very low145 Ų145137.7 Ų137.778%0.77576%0.757SS**  trans60.893.1153-75.6-31.9000121.5
952C27.3Very low26.6Very low128 Ų128135 Ų13587%0.86576%0.757SS**  -171.9105.3113.6-92.50000110
953K25.7Very low26.7Very low184 Ų184134.9 Ų134.980%0.876%0.761SS**  6811487.5-97.3-174.4177.2176.30116.6
954L24.2Very low26.9Very low158 Ų158131.1 Ų131.183%0.82776%0.756SS**  trans77150.1155.6-54.4170.8000118.2
955P28Very low26.8Very low109 Ų109129.2 Ų129.271%0.70876%0.76SS**  cis-137.3140.6-40.435.9-20.2000113.7A957P955-A957 PolarHBondContact O-N 3.36Å
956I25.3Very low26.3Very low171 Ų171131.8 Ų131.888%0.87776%0.764SS**  trans-84.2104.3167-63.3177.6000109S958I956-S958 PolarHBondContact O-N 3.21Å; I956-S958 VanDerWaalsContact O-N 3.16Å
957A25.9Very low26.4Very low82 Ų82129.1 Ų129.168%0.67876%0.756SS**  trans-80.687.8173.600000110.7P955 V959P955-A957 PolarHBondContact O-N 3.36Å; A957-V959 VanDerWaalsContact C-N 3.31Å; A957-V959 HydrophobicContact CB-CG2 4.34Å; A957-V959 PolarHBondContact O-N 3.42Å
958S24.6Very low26.2Very low116 Ų116128 Ų12881%0.81175%0.753SS**  trans-74.783.8169.6-168.60000110.1I956 A960I956-S958 PolarHBondContact O-N 3.21Å; I956-S958 VanDerWaalsContact O-N 3.16Å; S958-A960 PolarHBondContact O-N 2.85Å
959V27.2Very low26.3Very low127 Ų127126.7 Ų126.777%0.7775%0.753SS**  trans-85.895.8176.8-178.50000109.3A957A957-V959 VanDerWaalsContact C-N 3.31Å; A957-V959 HydrophobicContact CB-CG2 4.34Å; A957-V959 PolarHBondContact O-N 3.42Å
960A28Very low25.5Very low71 Ų71131.7 Ų131.759%0.58777%0.765SS**  trans-66.6144.7161.100000109.7S958 I962S958-A960 PolarHBondContact O-N 2.85Å; A960-I962 PolarHBondContact O-N 3.22Å
961P30.2Very low25.6Very low120 Ų120133.3 Ų133.378%0.77977%0.766SS**  trans-66.5109177.9-19.332.2000111.5M963P961-M963 VanDerWaalsContact C-N 3.33Å; P961-M963 PolarHBondContact O-N 2.88Å; P961-M963 VanDerWaalsContact O-N 3.11Å
962I24.5Very low25.5Very low160 Ų160131 Ų13182%0.82175%0.753SS**  trans-79.989164.4-59.4-179.6000107.4A960A960-I962 PolarHBondContact O-N 3.22Å
963M25.8Very low25.4Very low161 Ų161130.8 Ų130.879%0.79375%0.747SS**  trans-100.9149.2159.6-76.5-177.666.300109.8P961P961-M963 VanDerWaalsContact C-N 3.33Å; P961-M963 PolarHBondContact O-N 2.88Å; P961-M963 VanDerWaalsContact O-N 3.11Å
964S26.4Very low25.4Very low90 Ų90129.1 Ų129.163%0.62975%0.747SS**  trans56.575.4151.4-173.40000116.9Q966S964-Q966 PolarHBondContact O-N 3.35Å; S964-Q966 WeakPolarHBondContact OG-CB 3.3Å
965T22Very low25.3Very low151 Ų151126.2 Ų126.293%0.92673%0.732SS**  trans-65.685.814046.80000109.2
966Q23Very low25.3Very low156 Ų156129.9 Ų129.973%0.72974%0.74SS**  trans-109.9158.8162.6-93.6-90-33.700109.2S964S964-Q966 PolarHBondContact O-N 3.35Å; S964-Q966 WeakPolarHBondContact OG-CB 3.3Å
967P25Very low25.2Very low102 Ų102126.2 Ų126.266%0.66272%0.722SS**  trans-74178.1-157.9-21.335.1000115.9
968A23.4Very low25.2Very low75 Ų75129.5 Ų129.562%0.6272%0.723SS**  trans-54.1133167.200000111.1F970A968-F970 PolarHBondContact O-N 3.02Å
969P27.5Very low25.3Very low123 Ų123133.4 Ų133.480%0.79973%0.725SS**  trans-68104.6162.428.8-31.2000107.7K971P969-K971 PolarHBondContact O-N 2.96Å; P969-K971 VanDerWaalsContact O-N 3.1Å
970F22.5Very low25.1Very low197 Ų197136.8 Ų136.886%0.86472%0.724SS**PPolyproline II helixtrans-56.1116.6165.3-89-102.3000108A968A968-F970 PolarHBondContact O-N 3.02Å
971K25.8Very low24.8Very low174 Ų174141.2 Ų141.276%0.75774%0.737SS**PPolyproline II helixtrans-104130162.6-166.3175.1-175.6-178.80106.8P969 V973P969-K971 PolarHBondContact O-N 2.96Å; P969-K971 VanDerWaalsContact O-N 3.1Å; K971-V973 PolarHBondContact O-N 3.27Å
972N24.1Very low24.4Very low96 Ų96144.5 Ų144.551%0.51374%0.74SS.*PPolyproline II helixtrans-53.7135-166-54.8-22.2000113.1G1243N972-G1243 PolarHBondContact ND2-O 3.16Å
973V24.6Very low24.3Very low123 Ų123140.1 Ų140.175%0.74573%0.728SS**  trans-110.3153.5153-175.60000105.6K971K971-V973 PolarHBondContact O-N 3.27Å
974L25.2Very low24.6Very low150 Ų150137.8 Ų137.879%0.78572%0.724SS**  trans68.682.1-175.4-55.6109.2000115.1
975D23.3Very low24.5Very low96 Ų96138.6 Ų138.651%0.51373%0.73SS.*  -128.9100.5106.4-170.47.5000108.9N977 Q1245D975-N977 PolarHBondContact OD1-N 2.95Å; D975-N977 VanDerWaalsContact OD1-N 3.13Å; D975-N977 PolarHBondContact OD1-ND2 3.38Å; D975-Q1245 PolarHBondContact OD2-NE2 3Å
976E26.5Very low24.7Very low187 Ų187138.4 Ų138.487%0.87472%0.723SS**  trans-139.582.8139.6-133.4-169.8-150.200108.1
977N24Very low24.8Very low93 Ų93137.7 Ų137.750%0.49772%0.724SS.*  trans-38.7131.9137.7-80.4-85.1000109.6D975D975-N977 PolarHBondContact OD1-N 2.95Å; D975-N977 VanDerWaalsContact OD1-N 3.13Å; D975-N977 PolarHBondContact OD1-ND2 3.38Å
978Q25.8Very low24.9Very low152 Ų152138.9 Ų138.971%0.7173%0.725SS**  cis-16516513.5-95.1148.626.300109.4
979K25.8Very low25.2Very low197 Ų197141.8 Ų141.886%0.85773%0.729SS**  173.3126.1129.1-92.9147.4-165.7163.10108.3
980R23.6Very low25.1Very low198 Ų198144.4 Ų144.475%0.74773%0.728SS**  cis-147.9134.223.6-62.7-176.8-177.6175.2-1.1112.3
981L21.3Very low25.5Very low164 Ų164143.9 Ų143.986%0.85973%0.725SS**SBend-77.5149.9124.6-88.3163.4000107.5
982F23.3Very low25.7Very low189 Ų189142.2 Ų142.283%0.82972%0.72SS**  trans65.383.2-172.8-56.8-75.3000116
983A21.9Very low25.8Very low69 Ų69144.9 Ų144.957%0.5773%0.729SS**  -110.3163.6117.700000107.7
984P31.3Very low26Very low111 Ų111146.7 Ų146.772%0.72173%0.734SS**  cis-131.1149.3-26.633.4-17.2000113.2
985S23.8Very low26.1Very low107 Ų107144 Ų14475%0.74873%0.728SS**SBendtrans-124.797.4156.260.30000109
986N27.8Very low26.2Very low148 Ų148144.9 Ų144.979%0.79174%0.741SS**  trans53.6112.9168.4-51.5-28.1000116.1
987L23.7Very low26.6Very low141 Ų141141.1 Ų141.174%0.73873%0.733SS**  cis47.886.624-106.5-179.8000112.4
988N28.4Very low26.5Very low127 Ų127141.6 Ų141.668%0.67974%0.743SS**  -172.2134.7122.9-104.7-39.7000114.5
989L28.2Very low26.5Very low136 Ų136143.1 Ų143.171%0.71275%0.751SS**  trans64.6140.2147.7-51.9169.1000117.2
990K27Very low26.3Very low177 Ų177138.5 Ų138.577%0.7774%0.742SS**  cis-162133.13.7-131.1164.1-180174.70109.7
991K30.3Very low26.4Very low187 Ų187135.2 Ų135.281%0.81374%0.744SS**  trans172.5125.8136.5-99.2171.7179.7-175.80112.3
992H29.1Very low26.8Very low139 Ų139131.4 Ų131.464%0.64473%0.732SS**  trans49.1111.3163.3-53.9-67.4000118.2
993E27.8Very low27Very low151 Ų151127.6 Ų127.671%0.70672%0.715SS**  76.5113.867.9-68.1153.9-158.500111.5
994L28Very low27.7Very low161 Ų161131.4 Ų131.484%0.84372%0.724SS**  73.9128.853.7-60.8164.8000112.7
995S27.1Very low27.7Very low94 Ų94132.7 Ų132.766%0.65773%0.725SS**  cis-171.9139.9-9.747.20000113.2
996S24.7Very low28Very low115 Ų115130 Ų13080%0.80471%0.714SS**  trans65.9171.1163.9830000118
997P34.5Very low28Very low107 Ų107129.4 Ų129.470%0.69571%0.708SS**  cis-130.1-175.3-15.938.3-20.1000114.6
998S23.4Very low28.2Very low103 Ų103129.3 Ų129.372%0.7271%0.705SS**  trans32.2122.2152.561.30000123.8
999Q24.7Very low28.3Very low184 Ų184131.6 Ų131.686%0.8671%0.712SS**  trans57.9137.3151-81.6-164.12.900122.1
1000C22Very low28.1Very low100 Ų100133.3 Ų133.368%0.67672%0.718SS**  trans65.6132.3153.5-74.40000120.3
1001T25.2Very low28Very low129 Ų129132 Ų13279%0.79172%0.715SS**  trans63147.3155.543.70000117.4
1002S29.7Very low27.7Very low85 Ų85130.1 Ų130.159%0.59471%0.709SS**  cis-149.4159.5-9.839.20000107.5
1003K27.8Very low27.6Very low109 Ų109129.7 Ų129.747%0.47471%0.71SS.*  39.3140.275.5-31.6175.1-168.8164.20112.1M1007K1003-M1007 HydrophobicContact CD-CG 3.98Å; K1003-M1007 VanDerWaalsContact CE-CG 3.47Å
1004I37.6Very low27.4Very low148 Ų148131.2 Ų131.276%0.75971%0.714SS**SBend-148.5120.568.4-88.9156.7000107.4
1005D30.8Very low27.4Very low139 Ų139133.8 Ų133.874%0.74371%0.713SS**SBendcis-143154.93.8-87.5-38.6000113.2
1006G30.7Very low27.6Very low50 Ų50135.2 Ų135.252%0.51572%0.72SS.*  cis170.5143.9-8.400000115.4
1007M28.2Very low27.9Very low135 Ų135140.3 Ų140.367%0.66572%0.722SS**  trans69.9140.4160.9-70.8167.759.600118.2K1003K1003-M1007 HydrophobicContact CD-CG 3.98Å; K1003-M1007 VanDerWaalsContact CE-CG 3.47Å
1008M27.7Very low27.3Very low140 Ų140142.9 Ų142.969%0.6973%0.729SS**  cis-161161.93.6-140.1-176172.700114.2
1009Q28.9Very low27.4Very low174 Ų174141.6 Ų141.681%0.81372%0.719SS**  trans80.4165.2157.7-74.9179.7-4.100122
1010M24.5Very low27.8Very low172 Ų172136.5 Ų136.585%0.84770%0.704SS**  trans-157.6-177-145-112.6-83.1-79.300114.1
1011Q25.6Very low27.9Very low150 Ų150134.5 Ų134.570%0.70169%0.686SS**  trans-130.6177.5-168.5-48.9153.6-116.600111.7
1012E24.7Very low28Very low147 Ų147132.9 Ų132.969%0.68767%0.669SS**  cis-168.5-172.3-0.7-139.9177.5-81.500113.7
1013I25.8Very low27.9Very low131 Ų131131.2 Ų131.267%0.67265%0.654SS**  trans96.1131.1140.1-87.2161.6000123.6
1014K23.3Very low27.8Very low182 Ų182130.5 Ų130.579%0.79166%0.655SS**  trans80.2110.5153.8-90.1165.4-175.9174.70124.6
1015W28.2Very low27.4Very low215 Ų215125.6 Ų125.681%0.81463%0.632SS**  32.6147.5129.1-65.692.2000122.1R1017W1015-R1017 HydrophobicContact CZ3-CG 4.46Å
1016P31.8Very low27.2Very low125 Ų125123.4 Ų123.481%0.81262%0.617SS**  cis-143.4-162.241.442.6-21.8000117
1017R31.2Very low27.2Very low221 Ų221122.8 Ų122.883%0.83461%0.611SS**  trans-90.1130.4-178.8-69.4178.5175.8162.7-2.2114.1W1015W1015-R1017 HydrophobicContact CZ3-CG 4.46Å
1018L22Very low27.4Very low161 Ų161122.6 Ų122.684%0.84361%0.608SS**  -167.8178123.9-113.7174000110.2
1019C24.7Very low27.5Very low77 Ų77117.1 Ų117.152%0.5258%0.582SS.*  trans3.4112.3177.4-690000117.6L1021C1019-L1021 PolarHBondContact O-N 3.16Å
1020S34.4Very low27.3Very low76 Ų76112 Ų11253%0.53156%0.557SS.*  trans-45.7130.515150.90000111.1I1165S1020-I1165 WeakPolarHBondContact O-CD1 3.35Å; S1020-I1165 WeakPolarHBondContact O-CG1 3.4Å; S1020-I1165 WeakPolarHBondContact OG-CD1 3.47Å; S1020-I1165 WeakPolarHBondContact OG-CG1 3.48Å
1021L22.4Very low27.6Very low59 Ų59107.1 Ų107.131%0.30955%0.55SS.*  trans-170.9159.4155.3-135.9-175.9000106.2C1019 M1161 V1162 I1165C1019-L1021 PolarHBondContact O-N 3.16Å; L1021-M1161 VanDerWaalsContact C-SD 3.59Å; L1021-M1161 HydrophobicContact CD2-CB 4.12Å; L1021-M1161 HydrophobicContact CD2-CG 4.23Å; L1021-V1162 HydrophobicContact CD1-CB 4.48Å; L1021-V1162 HydrophobicContact CD1-CG2 4.19Å; L1021-V1162 HydrophobicContact CD2-CB 4.12Å; L1021-V1162 HydrophobicContact CD2-CG2 3.62Å; L1021-V1162 VanDerWaalsContact CD2-N 3.34Å; L1021-I1165 HydrophobicContact CB-CD1 4.4Å; L1021-I1165 HydrophobicContact CG-CB 4.36Å; L1021-I1165 HydrophobicContact CG-CD1 4.13Å; L1021-I1165 HydrophobicContact CG-CG2 4.36Å
1022Q28.6Very low27.8Very low94 Ų94110.8 Ų110.844%0.43956%0.558SS.*  trans56.192.6157.3-89.8140-1.100115.1M1158 M1161Q1022-M1158 HydrophobicContact CB-CG 4.41Å; Q1022-M1158 HydrophobicContact CG-CB 4.44Å; Q1022-M1158 HydrophobicContact CG-CE 3.5Å; Q1022-M1158 VanDerWaalsContact CG-CE 3.5Å; Q1022-M1158 HydrophobicContact CG-CG 3.16Å; Q1022-M1158 HydrophobicContact CG-SD 4.03Å; Q1022-M1158 VanDerWaalsContact NE2-CE 3.34Å; Q1022-M1161 PolarHBondContact N-SD 3.5Å; Q1022-M1161 VanDerWaalsContact N-SD 3.39Å
1023N27.3Very low28.2Very low51 Ų51109.7 Ų109.727%0.27356%0.556SS.*  34.59658.3-86.8-17.6000111.3L1154 T1157 M1158 M1161N1023-L1154 HydrophobicContact CB-CD2 3.87Å; N1023-T1157 WeakPolarHBondContact ND2-CB 3.46Å; N1023-T1157 PolarHBondContact ND2-O 2.85Å; N1023-T1157 PolarHBondContact ND2-OG1 3.44Å; N1023-T1157 VanDerWaalsContact ND2-OG1 3.15Å; N1023-M1158 HydrophobicContact CB-CB 4.21Å; N1023-M1158 WeakPolarHBondContact O-CG 3.43Å; N1023-M1161 WeakPolarHBondContact ND2-CE 3.44Å
1024L25.8Very low28.4Very low93 Ų93112.7 Ų112.749%0.48756%0.559SS.*  trans-165.7141.6131.2-119.947.3000109.1E1155 M1158L1024-E1155 HydrophobicContact CD1-CG 3.88Å; L1024-M1158 HydrophobicContact CD1-CB 3.57Å; L1024-M1158 HydrophobicContact CD1-CE 3.63Å; L1024-M1158 HydrophobicContact CD1-CG 3.55Å; L1024-M1158 HydrophobicContact CD1-SD 3.43Å; L1024-M1158 WeakPolarHBondContact CD1-SD 3.49Å; L1024-M1158 HydrophobicContact CD2-CE 3.23Å; L1024-M1158 HydrophobicContact CD2-SD 4.04Å; L1024-M1158 HydrophobicContact CG-CE 3.89Å; L1024-M1158 HydrophobicContact CG-SD 4.31Å
1025V27.9Very low28.7Very low46 Ų46111.2 Ų111.228%0.27955%0.554SS.*  cis172.3-174.1-10.161.10000111.2I1151 L1154 E1155V1025-I1151 WeakPolarHBondContact CG2-O 3.37Å; V1025-L1154 HydrophobicContact CB-CD2 4.29Å; V1025-L1154 HydrophobicContact CG2-CB 3.59Å; V1025-L1154 HydrophobicContact CG2-CD2 4.1Å; V1025-L1154 HydrophobicContact CG2-CG 4.35Å; V1025-E1155 HydrophobicContact CG2-CG 4.22Å
1026Q27.6Very low28.4Very low92 Ų92106.2 Ų106.243%0.4355%0.552SS.*  trans64.7118.3147.5-61162.77.700117.7I1151 E1155Q1026-I1151 HydrophobicContact CB-CB 4.3Å; Q1026-I1151 HydrophobicContact CB-CD1 3.67Å; Q1026-I1151 HydrophobicContact CB-CG1 3.55Å; Q1026-I1151 HydrophobicContact CG-CB 3.57Å; Q1026-I1151 HydrophobicContact CG-CD1 3.57Å; Q1026-I1151 HydrophobicContact CG-CG1 3.35Å; Q1026-I1151 HydrophobicContact CG-CG2 3.58Å; Q1026-E1155 VanDerWaalsContact NE2-CD 3.27Å; Q1026-E1155 PolarHBondContact NE2-OE1 3.27Å
1027G29.6Very low28.2Very low38 Ų38106 Ų10639%0.39255%0.553SS.*  cis97.1-173.615.700000111.7
1028E33Very low27.9Very low131 Ų131102.4 Ų102.461%0.61255%0.551SS**SBendtrans-137.5-3.3156.4-118.2170.6144.600119.4D1148 I1151E1028-D1148 CarbonylContact C-O 3.53Å; E1028-D1148 HydrophobicContact CB-CB 4.49Å; E1028-D1148 PolarHBondContact N-O 2.83Å; E1028-I1151 VanDerWaalsContact C-CG1 3.47Å; E1028-I1151 VanDerWaalsContact CA-CD1 3.41Å
1029N29.4Very low28.1Very low25 Ų25102.5 Ų102.513%0.13455%0.547CS..  trans88.8-152176.7-130.114.1000116.3D1148 N1149 I1151 E1152N1029-D1148 WeakPolarHBondContact CA-O 3.44Å; N1029-D1148 VanDerWaalsContact N-CA 3.31Å; N1029-D1148 PolarHBondContact N-O 3.07Å; N1029-D1148 PolarHBondContact N-OD1 2.63Å; N1029-D1148 CarbonylContact O-C 3.47Å; N1029-D1148 WeakPolarHBondContact O-CA 3.47Å; N1029-D1148 WeakPolarHBondContact O-CB 3.35Å; N1029-N1149 WeakPolarHBondContact O-CA 3.31Å; N1029-N1149 PolarHBondContact O-N 2.94Å; N1029-I1151 HydrophobicContact CB-CB 3.53Å; N1029-I1151 HydrophobicContact CB-CD1 4.09Å; N1029-I1151 HydrophobicContact CB-CG1 3.95Å; N1029-I1151 HydrophobicContact CB-CG2 3.56Å; N1029-I1151 VanDerWaalsContact CG-CB 3.4Å; N1029-I1151 WeakPolarHBondContact ND2-CG2 3.49Å; N1029-I1151 VanDerWaalsContact OD1-CB 3.22Å; N1029-I1151 WeakPolarHBondContact OD1-CB 3.4Å; N1029-I1151 VanDerWaalsContact OD1-CG2 3.27Å; N1029-I1151 WeakPolarHBondContact OD1-CG2 3.01Å; N1029-E1152 PolarHBondContact ND2-OE1 2.92Å; N1029-E1152 WeakPolarHBondContact OD1-CB 3.21Å; N1029-E1152 PolarHBondContact OD1-N 2.9Å
1030K26.1Very low28.1Very low67 Ų67106 Ų10629%0.29156%0.555SS.*  cis136.279.1-3377.698.3177.7-167.60108.7N1149 E1152K1030-N1149 HydrophobicContact CG-CB 4.29Å; K1030-N1149 WeakPolarHBondContact CG-OD1 3.34Å; K1030-E1152 HydrophobicContact CD-CB 3.96Å; K1030-E1152 HydrophobicContact CD-CG 4.34Å; K1030-E1152 WeakPolarHBondContact CD-OE2 3.36Å; K1030-E1152 WeakPolarHBondContact CE-OE2 3.01Å; K1030-E1152 VanDerWaalsContact NZ-CD 3.34Å; K1030-E1152 IonicContact NZ-OE2 2.66Å; K1030-E1152 PolarHBondContact NZ-OE2 3.5Å
1031G30.2Very low27.6Very low68 Ų68110.4 Ų110.470%0.70157%0.567SS**  trans-136.4140.2162.300000111.2
1032R29.6Very low27.7Very low227 Ų227111 Ų11186%0.85758%0.58SS**  cis-169.8143.8-11.6-152.2175.2-178.6170.30.7104.7
1033L32.7Very low27.6Very low125 Ų125113.4 Ų113.465%0.65460%0.595SS**  171.3129.990.2-83.1164.3000111.6
1034R29.7Very low27.5Very low194 Ų194116.6 Ų116.673%0.73261%0.612SS**  trans72.3116.5131.9-64.4-175.4-177.4-126.67.4122.8
1035H30.1Very low27.5Very low150 Ų150120.6 Ų120.669%0.69463%0.625SS**  65107.2122.7-52.5-43.6000121.3
1036S22.5Very low27.6Very low111 Ų111124.9 Ų124.978%0.77665%0.652SS**  -19.9137.2128.356.20000118.3
1037S28.6Very low27.7Very low119 Ų119125.4 Ų125.483%0.83267%0.666SS**  -160.3166.9128.558.30000111
1038N24.8Very low27.4Very low146 Ų146130.1 Ų130.178%0.78168%0.681SS**  trans-91.3166.4-177.9-75.3-32.7000112.7
1039H24.3Very low27.3Very low164 Ų164129.3 Ų129.376%0.75969%0.687SS**  trans12.6118.4151-64.6-87.6000116.7
1040H26Very low27.3Very low151 Ų151133 Ų13370%0.69971%0.711SS**  -152.7160.569.5-95.9-94.4000109.5
1041E23.3Very low27.2Very low167 Ų167134.6 Ų134.678%0.7873%0.726SS**  48.6132.179.5-99.4-175.3168.900113.6
1042A25.8Very low27Very low71 Ų71136.9 Ų136.959%0.58772%0.722SS**  cis-164.71651.400000113.4
1043I25.3Very low26.6Very low145 Ų145131.7 Ų131.774%0.74472%0.719SS**  trans69.7135136.2-73.8162.9000120.9
1044N25.5Very low26.2Very low118 Ų118130.4 Ų130.463%0.63172%0.717SS**  trans81.8123.7155.8-80.7-29.4000122.1
1045K26.5Very low26Very low177 Ų177128.1 Ų128.177%0.7772%0.718SS**  trans57.2118.1132-58.6168.9-173.3175.80117
1046T30.2Very low25.8Very low137 Ų137124.2 Ų124.284%0.8472%0.718SS**  cis-151.8159.611.948.10000108.4
1047S29.3Very low26Very low103 Ų103124.9 Ų124.972%0.7272%0.718SS**  cis-135.1166.415.456.20000109.2
1048L23.4Very low25.9Very low136 Ų136122.5 Ų122.571%0.71271%0.712SS**  45.714063.7-73.3169.1000113.7V1050L1048-V1050 HydrophobicContact CD2-CB 4.31Å; L1048-V1050 HydrophobicContact CD2-CG2 3.56Å
1049P29.3Very low26.6Very low114 Ų114120.8 Ų120.874%0.7471%0.709SS**  cis-91.5168.61.439.7-35.1000113
1050V29.4Very low26.6Very low104 Ų104120.5 Ų120.563%0.6371%0.712SS**  cis69.5137.341152.80000110.4L1048L1048-V1050 HydrophobicContact CD2-CB 4.31Å; L1048-V1050 HydrophobicContact CD2-CG2 3.56Å
1051T25Very low26.7Very low100 Ų100117.8 Ų117.861%0.61371%0.71SS**  cis-172178.1-8.233.10000108.1
1052N26.2Very low26.9Very low115 Ų115117.8 Ų117.862%0.61571%0.71SS**  trans73.3149.5147.2-64.4-17000116.6T1054N1052-T1054 WeakPolarHBondContact CB-OG1 3.36Å; N1052-T1054 PolarHBondContact ND2-OG1 3.47Å
1053C20.9Very low26.8Very low118 Ų118121 Ų12180%0.79772%0.716SS**  cis67.4174.229.7-540000113.7
1054T24Very low26.7Very low99 Ų99123 Ų12361%0.60772%0.719SS**  trans46.111816154.30000117.8N1052N1052-T1054 WeakPolarHBondContact CB-OG1 3.36Å; N1052-T1054 PolarHBondContact ND2-OG1 3.47Å
1055I26.7Very low27.3Very low146 Ų146124.7 Ų124.775%0.74973%0.727SS**  cis-137.2139.710.4-6597.6000105.2T1057I1055-T1057 WeakPolarHBondContact CG2-OG1 3.27Å
1056G25Very low27.4Very low68 Ų68122 Ų12270%0.70173%0.728SS**  cis110.5-177.633.400000108.4
1057T27.4Very low27.1Very low125 Ų125125 Ų12577%0.76773%0.725SS**  trans22110.3158.354.80000117.3I1055I1055-T1057 WeakPolarHBondContact CG2-OG1 3.27Å
1058G26.7Very low27.1Very low69 Ų69125.7 Ų125.771%0.71173%0.727SS**  cis60.6155.538.400000111.9
1059P38.1Very low27.3Very low110 Ų110125.1 Ų125.171%0.71473%0.73SS**  cis-126.1-150.11.430.5-6.1000110.6
1060L24.6Very low27.2Very low158 Ų158123.6 Ų123.683%0.82773%0.726SS**  trans69.1151.7161.8-60.3161.7000115.9
1061S28.4Very low27Very low94 Ų94124 Ų12466%0.65773%0.734SS**  cis-157.9151.5-1843.80000111.1
1062Q27.4Very low27.1Very low167 Ų167127 Ų12778%0.7874%0.743SS**  trans24112140.4-63.8-177.3-3.300118.5
1063I24.3Very low27.1Very low137 Ų137129.3 Ų129.370%0.70375%0.752SS**  99.5143.597-77.8168000113.6
1064K23.1Very low27.4Very low189 Ų189129.1 Ų129.182%0.82275%0.747SS**  trans66.490.3167.9-80.1168-178.1-179.90119
1065L38.3Very low27.7Very low152 Ų152130.9 Ų130.980%0.79675%0.752SS**  -7.6142.9123.8-60.5164.9000116.4
1066P28.6Very low27.7Very low120 Ų120130.2 Ų130.278%0.77976%0.755SS**  -120.2154.612135.6-32.9000113.1
1067Y23.3Very low27.9Very low202 Ų202128.7 Ų128.779%0.79274%0.739SS**  trans-72.3162.2167.8-76.4-100.5000110.9
1068P29.8Very low28.1Very low117 Ų117125.1 Ų125.176%0.7672%0.719SS**  -127.414597.80.720.5000116.1
1069T27.6Very low28.3Very low124 Ų124126.8 Ų126.876%0.76171%0.711SS**  trans68.1100.6139.2-48.30000121.1
1070A27.4Very low28.1Very low81 Ų81126.7 Ų126.767%0.66971%0.705SS**  trans67.7145.2138.900000118.2
1071S23.6Very low28.4Very low112 Ų112126.5 Ų126.578%0.78371%0.705SS**  cis62.9128.742.2-530000111.7
1072M27.9Very low28.7Very low165 Ų165129.9 Ų129.981%0.81371%0.714SS**  cis-143.8175.526.2-59.9171.5144.100112.6
1073M25.5Very low28.9Very low162 Ų162127.8 Ų127.880%0.79871%0.713SS**  trans15.9141.9130.9-61.3159.161.600118.4
1074V28.6Very low29.3Very low114 Ų114125.6 Ų125.669%0.69172%0.715SS**  cis-169.9162.812.6107.40000112.6
1075N28.4Very low29.7Very low136 Ų136125.7 Ų125.773%0.72772%0.715SS**  trans68.5120.1159.1-78.30.4000125.2
1076V28.2Very low29.1Very low133 Ų133124.4 Ų124.481%0.80672%0.719SS**  63.1112.9121.4-175.20000122.2
1077G29.6Very low28.9Very low35 Ų35122 Ų12236%0.36172%0.716SS.*  115.8116.8125.600000121.1H1093 N1094G1077-H1093 PolarHBondContact O-ND1 3.37Å; G1077-H1093 VanDerWaalsContact O-ND1 3.08Å; G1077-N1094 PolarHBondContact O-OD1 3.42Å
1078S31.6Very low29.3Very low51 Ų51120.1 Ų120.136%0.35772%0.715SS.*  trans68167.5145.2-58.20000120.2H1093S1078-H1093 PolarHBondContact O-ND1 2.85Å
1079L30.1Very low29.4Very low103 Ų103124.3 Ų124.354%0.53972%0.715SS.*  cis-170.9-169.6-34.2-159.767.2000107.8N1094L1079-N1094 CarbonylContact O-C 3.55Å; L1079-N1094 PolarHBondContact O-N 3.36Å; L1079-N1094 VanDerWaalsContact O-N 3.11Å
1080N34.3Very low29.7Very low109 Ų109128.3 Ų128.358%0.58372%0.722SS**  trans78.8155.9165.6-67.8-24.5000121N1094 T1095N1080-N1094 PolarHBondContact ND2-O 3.2Å; N1080-T1095 PolarHBondContact ND2-O 2.89Å
1081D31Very low30Very low153 Ų153127.7 Ų127.782%0.81872%0.723SS**  trans-98.8158.8-156.7-71.8-65.1000117
1082I33Very low30.5Very low165 Ų165130 Ų13085%0.84673%0.726SS**  -173.2163.9123.1-99.2165.4000113.3
1083T32.7Very low30.6Very low124 Ų124128.4 Ų128.476%0.76172%0.716SS**  trans-64.5159.7-162.661.60000120.3
1084A32.5Very low30.9Very low90 Ų90124.5 Ų124.574%0.74470%0.698SS**  trans99.7133.5133.500000122.2
1085K32.3Very low31Very low192 Ų192122.5 Ų122.584%0.83569%0.686SS**  trans18.2119151.4-65.2-178178.3178.10120.3
1086S24.4Very low31Very low124 Ų124124.4 Ų124.487%0.86769%0.685SS**SBendtrans52.674.6140.163.70000118.4
1087G26Very low30.9Very low71 Ų71121.8 Ų121.873%0.73267%0.672SS**  trans107.2150.3149.800000116.7
1088Q30.5Very low30.8Very low162 Ų162128.4 Ų128.476%0.75769%0.694SS**  trans68.2112.7172.8-57.1-15120.700119.6
1089R31.3Very low30.5Very low204 Ų204132.7 Ų132.777%0.7771%0.712SS**  68.3112.8129.8-65.2173.5167.3176.9-6.8120.5
1090K35Very low30.3Very low208 Ų208133.3 Ų133.390%0.90472%0.716SS**  trans61.6129.8138.6-51.5175.5178.8-171.90117.8
1091G33.3Very low29.9Very low68 Ų68135.3 Ų135.370%0.70172%0.722SS**  cis150.9166.7-4.300000112.3
1092I35Very low29.6Very low162 Ų162133.4 Ų133.483%0.83172%0.719SS**  trans81.6128.6165.8-55.9172.8000117.9
1093H29.9Very low29.4Very low130 Ų130135.6 Ų135.660%0.60272%0.723SS**  trans6.6149.9157.3-62-108.7000120.4G1077 S1078G1077-H1093 PolarHBondContact O-ND1 3.37Å; G1077-H1093 VanDerWaalsContact O-ND1 3.08Å; S1078-H1093 PolarHBondContact O-ND1 2.85Å
1094N30.7Very low29.3Very low80 Ų80133.4 Ų133.443%0.42872%0.717SS.*  cis-172.7164.449.8-145.34.7000117.1G1077 L1079 N1080G1077-N1094 PolarHBondContact O-OD1 3.42Å; L1079-N1094 CarbonylContact O-C 3.55Å; L1079-N1094 PolarHBondContact O-N 3.36Å; L1079-N1094 VanDerWaalsContact O-N 3.11Å; N1080-N1094 PolarHBondContact ND2-O 3.2Å
1095T31Very low29Very low73 Ų73137.3 Ų137.345%0.44873%0.725SS.*  trans41.4121.115646.20000126.4N1080N1080-T1095 PolarHBondContact ND2-O 2.89Å
1096Y28.2Very low28.7Very low175 Ų175131.3 Ų131.369%0.68672%0.718SS**  66.5156.1129.5-92.9-105.1000125.5
1097S25.6Very low28.6Very low79 Ų79130 Ų13055%0.55272%0.715SS**  trans-19.4163.9171.5-570000124.2
1098E28.8Very low28.8Very low173 Ų173131.7 Ų131.781%0.80872%0.722SS**  trans69.1119.3147.3-78.4160.5139.700116.8
1099L25Very low28.6Very low142 Ų142128.7 Ų128.774%0.74372%0.719SS**  92.5126.974-167.478.6000111.1
1100D26.8Very low28.6Very low115 Ų115123 Ų12362%0.61572%0.715SS**  trans64110.4165.1-76.9-43.8000121.8
1101Q25.4Very low28.4Very low152 Ų152120.6 Ų120.671%0.7171%0.711SS**  87.2107.6124-68.417348.400121.8
1102C24.3Very low28.6Very low113 Ų113124 Ų12476%0.76471%0.713SS**  68.198.1120.3-60.80000119.9
1103K28Very low28.3Very low211 Ų211120.2 Ų120.292%0.91770%0.701SS**  trans-160.8153.9135.5-100.5142.8-177.1173.50109.8
1104A30.7Very low28.6Very low77 Ų77118.1 Ų118.164%0.63670%0.701SS**  cis-167.192.5-30.100000107.8
1105N26.9Very low29.1Very low172 Ų172120 Ų12092%0.9272%0.72SS**SBendtrans-79.4123.4144-84.1-14.4000105.6
1106G25.7Very low29.6Very low67 Ų67121.2 Ų121.269%0.69172%0.723SS**  trans-62.5155.6-163.800000113.4A1108G1106-A1108 VanDerWaalsContact C-N 3.27Å; G1106-A1108 PolarHBondContact O-N 3.08Å
1107A21.7Very low30.2Very low97 Ų97120.3 Ų120.380%0.80272%0.722SS**  trans-61.995.2158.700000108.5S1109A1107-S1109 PolarHBondContact O-N 3.4Å
1108A31.2Very low31.4Very low105 Ų105120.4 Ų120.487%0.86872%0.723SS**  trans-66.291.8156.700000106.6G1106G1106-A1108 VanDerWaalsContact C-N 3.27Å; G1106-A1108 PolarHBondContact O-N 3.08Å
1109S26.2Very low32.7Very low100 Ų100114.6 Ų114.670%0.69971%0.705SS**  trans-42.3154.1-170.8-54.50000116.4A1107A1107-S1109 PolarHBondContact O-N 3.4Å
1110A31.1Very low34.3Very low83 Ų83112.2 Ų112.269%0.68669%0.693SS**  trans70.5125.4139.400000119.2
1111L31.2Very low35.9Very low159 Ų159112.4 Ų112.483%0.83269%0.693SS**  29.6135.8109.3-51171000117.6
1112N36.2Very low37.5Very low138 Ų138111.3 Ų111.374%0.73869%0.69SS**  trans71.974.4166.6-57.4-11.7000116.7
1113C30.8Very low39.7Very low84 Ų84109.4 Ų109.457%0.56867%0.671SS**SBend-119.589.5101.1-156.20000107.8
1114S34.2Very low41.7Very low86 Ų86102.5 Ų102.560%0.60164%0.642SS**THydrogen-bonded Turntrans-64146.9-176.412.30000110.7I1116S1114-I1116 PolarHBondContact O-N 3.38Å
1115S41.7Very low43.6Very low118 Ų118103.5 Ų103.583%0.82564%0.637SS**THydrogen-bonded Turntrans67.912.3178.2-54.30000118.6
1116I42.3Very low45.5Very low100 Ų100102.4 Ų102.451%0.51362%0.624SS.*THydrogen-bonded Turntrans-112.6-44.1173.1-62.9-177.3000113.7S1114 S1118 A1119S1114-I1116 PolarHBondContact O-N 3.38Å; I1116-S1118 PolarHBondContact O-N 3.42Å; I1116-A1119 PolarHBondContact O-N 3.47Å; I1116-A1119 VanDerWaalsContact O-N 3.15Å
1117K40.5Very low47.7Very low155 Ų155105.7 Ų105.767%0.67462%0.615SS**Hα-helixtrans-70.7-4.7-170.1-68.2-175.1177.2178.70116.7
1118S50.4Low50.1Low81 Ų81105.5 Ų105.557%0.56660%0.598SS**Hα-helixtrans-80.8-28.1171.547.40000113I1116 M1122I1116-S1118 PolarHBondContact O-N 3.42Å; S1118-M1122 PolarHBondContact O-N 3.1Å
1119A55.8Low51.8Low52 Ų52104.8 Ų104.843%0.4358%0.577SS.*Hα-helixtrans-71.1-47177.600000111.3I1116 L1121 M1122 I1123I1116-A1119 PolarHBondContact O-N 3.47Å; I1116-A1119 VanDerWaalsContact O-N 3.15Å; A1119-L1121 VanDerWaalsContact C-N 3.28Å; A1119-L1121 PolarHBondContact O-N 3.39Å; A1119-M1122 PolarHBondContact O-N 3.48Å; A1119-M1122 VanDerWaalsContact O-N 3.08Å; A1119-I1123 WeakPolarHBondContact O-CG1 3.25Å; A1119-I1123 PolarHBondContact O-N 3.27Å
1120D59.9Low53.8Low92 Ų92104 Ų10449%0.49257%0.567SS.*Hα-helixtrans-61.2-34.2179.2-72.1-41.2000112.9I1123 E1124D1120-I1123 PolarHBondContact O-N 2.8Å; D1120-E1124 WeakPolarHBondContact O-CB 3.37Å; D1120-E1124 PolarHBondContact O-N 3.07Å
1121L59.8Low55.6Low119 Ų119107 Ų10762%0.62356%0.561SS**Hα-helixtrans-69.3-32.9175-89.3167.2000113A1119 N1125A1119-L1121 VanDerWaalsContact C-N 3.28Å; A1119-L1121 PolarHBondContact O-N 3.39Å; L1121-N1125 VanDerWaalsContact O-CB 3.24Å; L1121-N1125 WeakPolarHBondContact O-CB 3.39Å; L1121-N1125 VanDerWaalsContact O-CG 3.24Å; L1121-N1125 PolarHBondContact O-N 2.97Å; L1121-N1125 VanDerWaalsContact O-N 3.1Å; L1121-N1125 PolarHBondContact O-ND2 3.38Å
1122M58Low57.3Low129 Ų129105.2 Ų105.264%0.63554%0.543SS*.Hα-helixtrans-71-44.7169.7-69.6-168.3-177.200111.3S1118 A1119 E1124 N1125 F1126S1118-M1122 PolarHBondContact O-N 3.1Å; A1119-M1122 PolarHBondContact O-N 3.48Å; A1119-M1122 VanDerWaalsContact O-N 3.08Å; M1122-E1124 PolarHBondContact O-N 2.63Å; M1122-N1125 PolarHBondContact O-N 3.36Å; M1122-F1126 WeakPolarHBondContact O-CB 3.22Å; M1122-F1126 VanDerWaalsContact O-CD2 3.28Å; M1122-F1126 WeakPolarHBondContact O-CD2 3.48Å; M1122-F1126 PolarHBondContact O-N 3.04Å
1123I72.3Confident59Low73 Ų73103.6 Ų103.637%0.37453%0.534SS..Hα-helixtrans-63.9-41.8-178.8-68.1167.5000111.1A1119 D1120 F1126 R1127A1119-I1123 WeakPolarHBondContact O-CG1 3.25Å; A1119-I1123 PolarHBondContact O-N 3.27Å; D1120-I1123 PolarHBondContact O-N 2.8Å; I1123-F1126 PolarHBondContact O-N 3.37Å; I1123-R1127 VanDerWaalsContact CG2-CZ 3.42Å; I1123-R1127 WeakPolarHBondContact O-CG 2.99Å; I1123-R1127 PolarHBondContact O-N 2.86Å
1124E70Confident61Low65 Ų65105.4 Ų105.430%0.30453%0.534SS..Hα-helixtrans-78.9-27.5178.9-158.655.3-138.600112.7D1120 M1122 R1127 Q1128 R1131D1120-E1124 WeakPolarHBondContact O-CB 3.37Å; D1120-E1124 PolarHBondContact O-N 3.07Å; M1122-E1124 PolarHBondContact O-N 2.63Å; E1124-R1127 PolarHBondContact O-N 3.29Å; E1124-R1127 WeakPolarHBondContact OE2-CD 3.36Å; E1124-R1127 IonicContact OE2-CZ 3.17Å; E1124-R1127 IonicContact OE2-NE 2.73Å; E1124-R1127 IonicContact OE2-NH1 2.82Å; E1124-R1127 PolarHBondContact OE2-NH1 2.65Å; E1124-R1127 VanDerWaalsContact OE2-NH1 3.15Å; E1124-Q1128 WeakPolarHBondContact O-CB 3.34Å; E1124-Q1128 WeakPolarHBondContact O-CG 3.45Å; E1124-Q1128 PolarHBondContact O-N 3.37Å; E1124-R1131 IonicContact OE1-CZ 3.68Å; E1124-R1131 IonicContact OE1-NH2 3.56Å; E1124-R1131 PolarHBondContact OE1-NH2 2.96Å
1125N69.8Low62.9Low99 Ų99106.3 Ų106.353%0.52953%0.532SS..Hα-helixtrans-62.6-46.3163.8-83.4-22.7000111L1121 M1122 R1127 Q1128 E1129L1121-N1125 VanDerWaalsContact O-CB 3.24Å; L1121-N1125 WeakPolarHBondContact O-CB 3.39Å; L1121-N1125 VanDerWaalsContact O-CG 3.24Å; L1121-N1125 PolarHBondContact O-N 2.97Å; L1121-N1125 VanDerWaalsContact O-N 3.1Å; L1121-N1125 PolarHBondContact O-ND2 3.38Å; M1122-N1125 PolarHBondContact O-N 3.36Å; N1125-R1127 VanDerWaalsContact C-N 3.29Å; N1125-R1127 PolarHBondContact O-N 2.84Å; N1125-Q1128 PolarHBondContact O-N 2.94Å; N1125-E1129 WeakPolarHBondContact O-CB 3.27Å; N1125-E1129 PolarHBondContact O-N 2.86Å
1126F65.8Low64.2Low148 Ų148106 Ų10665%0.64952%0.518SS*.Hα-helixtrans-62.3-33.9174.6-88-67.3000112.4M1122 I1123 T1130M1122-F1126 WeakPolarHBondContact O-CB 3.22Å; M1122-F1126 VanDerWaalsContact O-CD2 3.28Å; M1122-F1126 WeakPolarHBondContact O-CD2 3.48Å; M1122-F1126 PolarHBondContact O-N 3.04Å; I1123-F1126 PolarHBondContact O-N 3.37Å; F1126-T1130 VanDerWaalsContact O-CB 3.27Å; F1126-T1130 WeakPolarHBondContact O-CB 3.14Å; F1126-T1130 PolarHBondContact O-N 3.34Å; F1126-T1130 PolarHBondContact O-OG1 2.83Å
1127R72.6Confident65.7Low136 Ų136106.1 Ų106.151%0.51352%0.518SS..Hα-helixtrans-75.6-31.4173.7-72.9165.7176.9161.73.5113.8I1123 E1124 N1125 R1131I1123-R1127 VanDerWaalsContact CG2-CZ 3.42Å; I1123-R1127 WeakPolarHBondContact O-CG 2.99Å; I1123-R1127 PolarHBondContact O-N 2.86Å; E1124-R1127 PolarHBondContact O-N 3.29Å; E1124-R1127 WeakPolarHBondContact OE2-CD 3.36Å; E1124-R1127 IonicContact OE2-CZ 3.17Å; E1124-R1127 IonicContact OE2-NE 2.73Å; E1124-R1127 IonicContact OE2-NH1 2.82Å; E1124-R1127 PolarHBondContact OE2-NH1 2.65Å; E1124-R1127 VanDerWaalsContact OE2-NH1 3.15Å; N1125-R1127 VanDerWaalsContact C-N 3.29Å; N1125-R1127 PolarHBondContact O-N 2.84Å; R1127-R1131 WeakPolarHBondContact O-CB 3.37Å; R1127-R1131 WeakPolarHBondContact O-CG 3.45Å; R1127-R1131 PolarHBondContact O-N 3.14Å; R1127-R1131 PolarHBondContact O-NE 3.49Å
1128Q71.5Confident67.2Low93 Ų93101.7 Ų101.744%0.43551%0.51SS..Hα-helixtrans-67.3-42.5168.2-80.1-160.99.700110.8E1124 N1125 R1131 R1132E1124-Q1128 WeakPolarHBondContact O-CB 3.34Å; E1124-Q1128 WeakPolarHBondContact O-CG 3.45Å; E1124-Q1128 PolarHBondContact O-N 3.37Å; N1125-Q1128 PolarHBondContact O-N 2.94Å; Q1128-R1131 CarbonylContact O-C 2.85Å; Q1128-R1131 PolarHBondContact O-N 2.92Å; Q1128-R1132 PolarHBondContact O-N 3.43Å
1129E66.9Low68.2Low91 Ų91101.7 Ų101.743%0.42551%0.507SS..Hα-helixtrans-72.8-35.9-178.9-147.360.1-163.400111.7N1125 R1131 R1132 L1133N1125-E1129 WeakPolarHBondContact O-CB 3.27Å; N1125-E1129 PolarHBondContact O-N 2.86Å; E1129-R1131 VanDerWaalsContact C-N 3.33Å; E1129-R1131 PolarHBondContact O-N 3.17Å; E1129-R1132 PolarHBondContact O-N 3.31Å; E1129-R1132 IonicContact OE2-CZ 3.15Å; E1129-R1132 IonicContact OE2-NH1 3.98Å; E1129-R1132 PolarHBondContact OE2-NH1 3.47Å; E1129-L1133 WeakPolarHBondContact O-CB 3.48Å; E1129-L1133 VanDerWaalsContact O-CG 3.28Å; E1129-L1133 WeakPolarHBondContact O-CG 3.21Å; E1129-L1133 PolarHBondContact O-N 2.95Å
1130T69.6Low68.7Low82 Ų82104.2 Ų104.250%0.50351%0.513SS..Hα-helixtrans-62.3-40168.6-54.40000111F1126 L1133 Q1134F1126-T1130 VanDerWaalsContact O-CB 3.27Å; F1126-T1130 WeakPolarHBondContact O-CB 3.14Å; F1126-T1130 PolarHBondContact O-N 3.34Å; F1126-T1130 PolarHBondContact O-OG1 2.83Å; T1130-L1133 PolarHBondContact O-N 3.06Å; T1130-Q1134 WeakPolarHBondContact O-CB 3.45Å; T1130-Q1134 PolarHBondContact O-N 3.26Å
1131R67.7Low69.2Low146 Ų146103.3 Ų103.355%0.55151%0.513SS*.Hα-helixtrans-65.2-44.9172.8-82.6-175.8-91.3-156.4-1.6112.3E1124 R1127 Q1128 E1129 L1133 Q1134 D1135E1124-R1131 IonicContact OE1-CZ 3.68Å; E1124-R1131 IonicContact OE1-NH2 3.56Å; E1124-R1131 PolarHBondContact OE1-NH2 2.96Å; R1127-R1131 WeakPolarHBondContact O-CB 3.37Å; R1127-R1131 WeakPolarHBondContact O-CG 3.45Å; R1127-R1131 PolarHBondContact O-N 3.14Å; R1127-R1131 PolarHBondContact O-NE 3.49Å; Q1128-R1131 CarbonylContact O-C 2.85Å; Q1128-R1131 PolarHBondContact O-N 2.92Å; E1129-R1131 VanDerWaalsContact C-N 3.33Å; E1129-R1131 PolarHBondContact O-N 3.17Å; R1131-L1133 VanDerWaalsContact C-N 3.3Å; R1131-L1133 PolarHBondContact O-N 2.89Å; R1131-Q1134 WeakPolarHBondContact O-CB 3.27Å; R1131-Q1134 PolarHBondContact O-N 2.83Å; R1131-Q1134 VanDerWaalsContact O-N 3.15Å; R1131-D1135 PolarHBondContact O-N 2.76Å
1132R66.7Low69.7Low122 Ų12299.3 Ų99.346%0.4650%0.502SS..Hα-helixtrans-57.4-42173-76.8-166.5179.997.29.3112.1Q1128 E1129 D1135 H1136Q1128-R1132 PolarHBondContact O-N 3.43Å; E1129-R1132 PolarHBondContact O-N 3.31Å; E1129-R1132 IonicContact OE2-CZ 3.15Å; E1129-R1132 IonicContact OE2-NH1 3.98Å; E1129-R1132 PolarHBondContact OE2-NH1 3.47Å; R1132-D1135 PolarHBondContact O-N 3.07Å; R1132-H1136 WeakPolarHBondContact O-CB 3.42Å; R1132-H1136 PolarHBondContact O-N 3.42Å; R1132-H1136 PolarHBondContact O-ND1 3Å
1133L72.7Confident69.8Low104 Ų10498.7 Ų98.755%0.54550%0.497SS..Hα-helixtrans-68.5-38.7177.1-71.9169.1000111.5E1129 T1130 R1131 H1136 I1137E1129-L1133 WeakPolarHBondContact O-CB 3.48Å; E1129-L1133 VanDerWaalsContact O-CG 3.28Å; E1129-L1133 WeakPolarHBondContact O-CG 3.21Å; E1129-L1133 PolarHBondContact O-N 2.95Å; T1130-L1133 PolarHBondContact O-N 3.06Å; R1131-L1133 VanDerWaalsContact C-N 3.3Å; R1131-L1133 PolarHBondContact O-N 2.89Å; L1133-H1136 PolarHBondContact O-N 3.36Å; L1133-I1137 WeakPolarHBondContact O-CB 3.27Å; L1133-I1137 VanDerWaalsContact O-CG1 3.25Å; L1133-I1137 WeakPolarHBondContact O-CG1 3.42Å; L1133-I1137 PolarHBondContact O-N 3.04Å
1134Q71.8Confident68.8Low123 Ų12399.6 Ų99.658%0.57550%0.502SS*.Hα-helixtrans-63.2-42.5173.8-158.770.723.300111.7T1130 R1131 I1137 A1138T1130-Q1134 WeakPolarHBondContact O-CB 3.45Å; T1130-Q1134 PolarHBondContact O-N 3.26Å; R1131-Q1134 WeakPolarHBondContact O-CB 3.27Å; R1131-Q1134 PolarHBondContact O-N 2.83Å; R1131-Q1134 VanDerWaalsContact O-N 3.15Å; Q1134-I1137 PolarHBondContact O-N 2.97Å; Q1134-A1138 PolarHBondContact O-N 2.79Å
1135D74.5Confident68Low104 Ų104100.2 Ų100.256%0.55651%0.514SS*.Hα-helixtrans-67-40.2175.5-68.6-29.9000111.5R1131 R1132 I1137 A1138 V1139R1131-D1135 PolarHBondContact O-N 2.76Å; R1132-D1135 PolarHBondContact O-N 3.07Å; D1135-I1137 VanDerWaalsContact C-N 3.34Å; D1135-I1137 PolarHBondContact O-N 3.41Å; D1135-A1138 PolarHBondContact O-N 3.08Å; D1135-V1139 WeakPolarHBondContact O-CB 3.36Å; D1135-V1139 WeakPolarHBondContact O-CG2 3.27Å; D1135-V1139 PolarHBondContact O-N 2.81Å
1136H69.8Low67.4Low113 Ų11399.5 Ų99.552%0.52351%0.513SS..Hα-helixtrans-64.5-37.1172.4-8182.9000112R1132 L1133 V1139 L1140R1132-H1136 WeakPolarHBondContact O-CB 3.42Å; R1132-H1136 PolarHBondContact O-N 3.42Å; R1132-H1136 PolarHBondContact O-ND1 3Å; L1133-H1136 PolarHBondContact O-N 3.36Å; H1136-V1139 PolarHBondContact O-N 2.89Å; H1136-L1140 VanDerWaalsContact O-CB 3.22Å; H1136-L1140 WeakPolarHBondContact O-CB 3.39Å; H1136-L1140 WeakPolarHBondContact O-CD1 3.37Å; H1136-L1140 WeakPolarHBondContact O-CG 3.26Å; H1136-L1140 PolarHBondContact O-N 2.78Å
1137I72.9Confident66.7Low101 Ų10198.1 Ų98.152%0.51851%0.506SS..Hα-helixtrans-67-40173.6-71.7165.2000110.5L1133 Q1134 D1135 L1140 S1141L1133-I1137 WeakPolarHBondContact O-CB 3.27Å; L1133-I1137 VanDerWaalsContact O-CG1 3.25Å; L1133-I1137 WeakPolarHBondContact O-CG1 3.42Å; L1133-I1137 PolarHBondContact O-N 3.04Å; Q1134-I1137 PolarHBondContact O-N 2.97Å; D1135-I1137 VanDerWaalsContact C-N 3.34Å; D1135-I1137 PolarHBondContact O-N 3.41Å; I1137-L1140 PolarHBondContact O-N 2.81Å; I1137-S1141 WeakPolarHBondContact O-CB 3.47Å; I1137-S1141 PolarHBondContact O-N 2.98Å
1138A73.2Confident65.9Low62 Ų6293.3 Ų93.351%0.51249%0.491SS..Hα-helixtrans-62.8-44.7174.300000111.9Q1134 D1135 S1141 G1142Q1134-A1138 PolarHBondContact O-N 2.79Å; D1135-A1138 PolarHBondContact O-N 3.08Å; A1138-S1141 PolarHBondContact O-N 3.3Å; A1138-G1142 PolarHBondContact O-N 2.94Å
1139V72Confident65.2Low82 Ų8292.1 Ų92.150%0.49749%0.487SS..Hα-helixtrans-66.3-42.6176.2168.60000111.8D1135 H1136 G1142 H1143D1135-V1139 WeakPolarHBondContact O-CB 3.36Å; D1135-V1139 WeakPolarHBondContact O-CG2 3.27Å; D1135-V1139 PolarHBondContact O-N 2.81Å; H1136-V1139 PolarHBondContact O-N 2.89Å; V1139-G1142 PolarHBondContact O-N 3.31Å; V1139-H1143 WeakPolarHBondContact O-CB 3.2Å; V1139-H1143 PolarHBondContact O-CD2 2.84Å; V1139-H1143 PolarHBondContact O-N 3.28Å
1140L65.5Low64.5Low104 Ų10494.3 Ų94.355%0.54550%0.495SS..Hα-helixtrans-68.1-36.3176.5-74.7168000112.4H1136 I1137 H1143 L1144H1136-L1140 VanDerWaalsContact O-CB 3.22Å; H1136-L1140 WeakPolarHBondContact O-CB 3.39Å; H1136-L1140 WeakPolarHBondContact O-CD1 3.37Å; H1136-L1140 WeakPolarHBondContact O-CG 3.26Å; H1136-L1140 PolarHBondContact O-N 2.78Å; I1137-L1140 PolarHBondContact O-N 2.81Å; L1140-H1143 CarbonylContact O-C 3.59Å; L1140-H1143 PolarHBondContact O-N 3.44Å; L1140-L1144 WeakPolarHBondContact O-CG 3.17Å; L1140-L1144 PolarHBondContact O-N 3.46Å
1141S70.6Confident64Low73 Ų7391.6 Ų91.651%0.5148%0.478SS..Hα-helixtrans-66.3-43.4173.1-169.10000111.1I1137 A1138 H1143 L1144 S1145I1137-S1141 WeakPolarHBondContact O-CB 3.47Å; I1137-S1141 PolarHBondContact O-N 2.98Å; A1138-S1141 PolarHBondContact O-N 3.3Å; S1141-H1143 VanDerWaalsContact C-N 3.31Å; S1141-H1143 PolarHBondContact O-N 2.84Å; S1141-L1144 PolarHBondContact O-N 3.46Å; S1141-L1144 VanDerWaalsContact O-N 3.16Å; S1141-S1145 PolarHBondContact O-N 3.39Å
1142G69.5Low63.5Low36 Ų3688.6 Ų88.637%0.37147%0.47SS..Hα-helixtrans-59.8-38.1169.700000113A1138 V1139 S1145 V1146A1138-G1142 PolarHBondContact O-N 2.94Å; V1139-G1142 PolarHBondContact O-N 3.31Å; G1142-S1145 CarbonylContact O-C 3.39Å; G1142-S1145 VanDerWaalsContact O-C 3.27Å; G1142-S1145 PolarHBondContact O-N 2.85Å; G1142-V1146 WeakPolarHBondContact O-CG2 3.44Å; G1142-V1146 PolarHBondContact O-N 3.28Å; G1142-V1146 VanDerWaalsContact O-N 3.08Å
1143H61.4Low63.1Low116 Ų11685.7 Ų85.754%0.53747%0.466SS..Hα-helixtrans-72.3-28.8174.1-75.5-46.2000113.7V1139 L1140 S1141 V1146 K1147V1139-H1143 WeakPolarHBondContact O-CB 3.2Å; V1139-H1143 PolarHBondContact O-CD2 2.84Å; V1139-H1143 PolarHBondContact O-N 3.28Å; L1140-H1143 CarbonylContact O-C 3.59Å; L1140-H1143 PolarHBondContact O-N 3.44Å; S1141-H1143 VanDerWaalsContact C-N 3.31Å; S1141-H1143 PolarHBondContact O-N 2.84Å; H1143-V1146 CarbonylContact O-C 3.58Å; H1143-V1146 PolarHBondContact O-N 3.13Å; H1143-K1147 VanDerWaalsContact O-CB 3.24Å; H1143-K1147 WeakPolarHBondContact O-CB 3.33Å; H1143-K1147 PolarHBondContact O-N 2.97Å
1144L50.9Low62.6Low91 Ų9183.5 Ų83.548%0.47645%0.454SS..Hα-helixtrans-67.1-46.5169.2-74.9165000110L1140 S1141 V1146 K1147 D1148L1140-L1144 WeakPolarHBondContact O-CG 3.17Å; L1140-L1144 PolarHBondContact O-N 3.46Å; S1141-L1144 PolarHBondContact O-N 3.46Å; S1141-L1144 VanDerWaalsContact O-N 3.16Å; L1144-V1146 PolarHBondContact O-N 2.84Å; L1144-K1147 HydrophobicContact CD2-CD 3.88Å; L1144-K1147 WeakPolarHBondContact O-CB 3.45Å; L1144-K1147 PolarHBondContact O-N 3.48Å; L1144-K1147 VanDerWaalsContact O-N 3.1Å; L1144-D1148 PolarHBondContact O-N 2.83Å
1145S52.9Low62.7Low79 Ų7980.8 Ų80.855%0.55244%0.442SS*.Hα-helixtrans-69.513168.8-166.80000114.8S1141 G1142 D1148S1141-S1145 PolarHBondContact O-N 3.39Å; G1142-S1145 CarbonylContact O-C 3.39Å; G1142-S1145 VanDerWaalsContact O-C 3.27Å; G1142-S1145 PolarHBondContact O-N 2.85Å; S1145-D1148 VanDerWaalsContact C-CB 3.46Å
1146V55.9Low62.6Low84 Ų8482 Ų8251%0.50944%0.444SS..Hα-helixtrans-127.7-21.21651720000112.4G1142 H1143 L1144 D1148 N1149G1142-V1146 WeakPolarHBondContact O-CG2 3.44Å; G1142-V1146 PolarHBondContact O-N 3.28Å; G1142-V1146 VanDerWaalsContact O-N 3.08Å; H1143-V1146 CarbonylContact O-C 3.58Å; H1143-V1146 PolarHBondContact O-N 3.13Å; L1144-V1146 PolarHBondContact O-N 2.84Å; V1146-D1148 VanDerWaalsContact C-N 3.33Å; V1146-D1148 CarbonylContact O-C 3.4Å; V1146-D1148 WeakPolarHBondContact O-CB 3.21Å; V1146-N1149 PolarHBondContact O-N 2.92Å; V1146-N1149 PolarHBondContact O-ND2 2.92Å; V1146-N1149 VanDerWaalsContact O-ND2 3.17Å
1147K52.1Low62.6Low118 Ų11879.6 Ų79.651%0.51344%0.437SS..Hα-helixtrans-61.9-41173.1-178.8-172.9-178.1-169.70111.6H1143 L1144 N1149H1143-K1147 VanDerWaalsContact O-CB 3.24Å; H1143-K1147 WeakPolarHBondContact O-CB 3.33Å; H1143-K1147 PolarHBondContact O-N 2.97Å; L1144-K1147 HydrophobicContact CD2-CD 3.88Å; L1144-K1147 WeakPolarHBondContact O-CB 3.45Å; L1144-K1147 PolarHBondContact O-N 3.48Å; L1144-K1147 VanDerWaalsContact O-N 3.1Å; K1147-N1149 PolarHBondContact O-N 3.36Å
1148D55.2Low62.4Low35 Ų3576.8 Ų76.819%0.18742%0.422CS..G310 helix22.2-97.6119.9-13135.4000113.2E1028 N1029 L1144 S1145 V1146 K1150 I1151E1028-D1148 CarbonylContact C-O 3.53Å; E1028-D1148 HydrophobicContact CB-CB 4.49Å; E1028-D1148 PolarHBondContact N-O 2.83Å; N1029-D1148 WeakPolarHBondContact CA-O 3.44Å; N1029-D1148 VanDerWaalsContact N-CA 3.31Å; N1029-D1148 PolarHBondContact N-O 3.07Å; N1029-D1148 PolarHBondContact N-OD1 2.63Å; N1029-D1148 CarbonylContact O-C 3.47Å; N1029-D1148 WeakPolarHBondContact O-CA 3.47Å; N1029-D1148 WeakPolarHBondContact O-CB 3.35Å; L1144-D1148 PolarHBondContact O-N 2.83Å; S1145-D1148 VanDerWaalsContact C-CB 3.46Å; V1146-D1148 VanDerWaalsContact C-N 3.33Å; V1146-D1148 CarbonylContact O-C 3.4Å; V1146-D1148 WeakPolarHBondContact O-CB 3.21Å; D1148-K1150 PolarHBondContact O-N 3.15Å; D1148-I1151 PolarHBondContact O-N 3.1Å
1149N56.6Low62.4Low69 Ų6980.2 Ų80.237%0.36943%0.428SS..G310 helixtrans-62.2-4-149.1-70.5-92.9000117N1029 K1030 V1146 K1147 I1151 T1153N1029-N1149 WeakPolarHBondContact O-CA 3.31Å; N1029-N1149 PolarHBondContact O-N 2.94Å; K1030-N1149 HydrophobicContact CG-CB 4.29Å; K1030-N1149 WeakPolarHBondContact CG-OD1 3.34Å; V1146-N1149 PolarHBondContact O-N 2.92Å; V1146-N1149 PolarHBondContact O-ND2 2.92Å; V1146-N1149 VanDerWaalsContact O-ND2 3.17Å; K1147-N1149 PolarHBondContact O-N 3.36Å; N1149-I1151 VanDerWaalsContact C-N 3.34Å; N1149-T1153 WeakPolarHBondContact O-CG2 3.23Å; N1149-T1153 PolarHBondContact O-OG1 2.78Å
1150K52.9Low62.2Low136 Ų13680.3 Ų80.359%0.59143%0.432SS*.G310 helixtrans-75.9-6.7177.1-58.7176.3-177.9179.60115D1148 T1153D1148-K1150 PolarHBondContact O-N 3.15Å; K1150-T1153 WeakPolarHBondContact CA-OG1 3.3Å; K1150-T1153 PolarHBondContact O-OG1 3.08Å
1151I59.8Low62.2Low26 Ų2678.2 Ų78.213%0.13342%0.42CS..THydrogen-bonded Turntrans-64.7-74.8177.6-76.9-149.4000110.7V1025 Q1026 E1028 N1029 D1148 N1149 T1153 L1154 E1155V1025-I1151 WeakPolarHBondContact CG2-O 3.37Å; Q1026-I1151 HydrophobicContact CB-CB 4.3Å; Q1026-I1151 HydrophobicContact CB-CD1 3.67Å; Q1026-I1151 HydrophobicContact CB-CG1 3.55Å; Q1026-I1151 HydrophobicContact CG-CB 3.57Å; Q1026-I1151 HydrophobicContact CG-CD1 3.57Å; Q1026-I1151 HydrophobicContact CG-CG1 3.35Å; Q1026-I1151 HydrophobicContact CG-CG2 3.58Å; E1028-I1151 VanDerWaalsContact C-CG1 3.47Å; E1028-I1151 VanDerWaalsContact CA-CD1 3.41Å; N1029-I1151 HydrophobicContact CB-CB 3.53Å; N1029-I1151 HydrophobicContact CB-CD1 4.09Å; N1029-I1151 HydrophobicContact CB-CG1 3.95Å; N1029-I1151 HydrophobicContact CB-CG2 3.56Å; N1029-I1151 VanDerWaalsContact CG-CB 3.4Å; N1029-I1151 WeakPolarHBondContact ND2-CG2 3.49Å; N1029-I1151 VanDerWaalsContact OD1-CB 3.22Å; N1029-I1151 WeakPolarHBondContact OD1-CB 3.4Å; N1029-I1151 VanDerWaalsContact OD1-CG2 3.27Å; N1029-I1151 WeakPolarHBondContact OD1-CG2 3.01Å; D1148-I1151 PolarHBondContact O-N 3.1Å; N1149-I1151 VanDerWaalsContact C-N 3.34Å; I1151-T1153 VanDerWaalsContact C-N 3.25Å; I1151-T1153 PolarHBondContact O-N 3.26Å; I1151-L1154 PolarHBondContact O-N 3.49Å; I1151-E1155 PolarHBondContact O-N 3.19Å
1152E56.8Low62.7Low82 Ų8276.4 Ų76.438%0.38341%0.406SS..Hα-helixtrans-83.2-8.9-164.8177.4-162.3-60.100110.9N1029 K1030 L1154 E1155 E1156N1029-E1152 PolarHBondContact ND2-OE1 2.92Å; N1029-E1152 WeakPolarHBondContact OD1-CB 3.21Å; N1029-E1152 PolarHBondContact OD1-N 2.9Å; K1030-E1152 HydrophobicContact CD-CB 3.96Å; K1030-E1152 HydrophobicContact CD-CG 4.34Å; K1030-E1152 WeakPolarHBondContact CD-OE2 3.36Å; K1030-E1152 WeakPolarHBondContact CE-OE2 3.01Å; K1030-E1152 VanDerWaalsContact NZ-CD 3.34Å; K1030-E1152 IonicContact NZ-OE2 2.66Å; K1030-E1152 PolarHBondContact NZ-OE2 3.5Å; E1152-L1154 VanDerWaalsContact C-N 3.3Å; E1152-E1155 WeakPolarHBondContact CA-OE2 3.48Å; E1152-E1155 WeakPolarHBondContact CB-OE2 3.24Å; E1152-E1156 WeakPolarHBondContact O-CB 3.31Å; E1152-E1156 PolarHBondContact O-N 2.84Å
1153T57.4Low63.1Low62 Ų6278.3 Ų78.338%0.3841%0.41SS..Hα-helixtrans-68.3-27.7164.452.80000112.9N1149 K1150 I1151 T1157N1149-T1153 WeakPolarHBondContact O-CG2 3.23Å; N1149-T1153 PolarHBondContact O-OG1 2.78Å; K1150-T1153 WeakPolarHBondContact CA-OG1 3.3Å; K1150-T1153 PolarHBondContact O-OG1 3.08Å; I1151-T1153 VanDerWaalsContact C-N 3.25Å; I1151-T1153 PolarHBondContact O-N 3.26Å; T1153-T1157 PolarHBondContact O-N 2.83Å
1154L63.6Low63.8Low57 Ų5780.4 Ų80.430%0.29841%0.414SS..Hα-helixtrans-93.4-16.1177.9-152.3167.1000110.8N1023 V1025 I1151 E1152 T1157 M1158N1023-L1154 HydrophobicContact CB-CD2 3.87Å; V1025-L1154 HydrophobicContact CB-CD2 4.29Å; V1025-L1154 HydrophobicContact CG2-CB 3.59Å; V1025-L1154 HydrophobicContact CG2-CD2 4.1Å; V1025-L1154 HydrophobicContact CG2-CG 4.35Å; I1151-L1154 PolarHBondContact O-N 3.49Å; E1152-L1154 VanDerWaalsContact C-N 3.3Å; L1154-T1157 WeakPolarHBondContact CA-OG1 3.34Å; L1154-T1157 PolarHBondContact O-OG1 2.88Å; L1154-T1157 VanDerWaalsContact O-OG1 3.14Å; L1154-M1158 WeakPolarHBondContact O-CB 3.31Å; L1154-M1158 PolarHBondContact O-N 2.9Å
1155E73.2Confident65Low67 Ų6776.7 Ų76.731%0.31339%0.394SS..Hα-helixtrans-68.7-39.5155.2-74.7163.3157.800111.9L1024 V1025 Q1026 I1151 E1152 T1157 M1158 E1159L1024-E1155 HydrophobicContact CD1-CG 3.88Å; V1025-E1155 HydrophobicContact CG2-CG 4.22Å; Q1026-E1155 VanDerWaalsContact NE2-CD 3.27Å; Q1026-E1155 PolarHBondContact NE2-OE1 3.27Å; I1151-E1155 PolarHBondContact O-N 3.19Å; E1152-E1155 WeakPolarHBondContact CA-OE2 3.48Å; E1152-E1155 WeakPolarHBondContact CB-OE2 3.24Å; E1155-T1157 VanDerWaalsContact C-N 3.32Å; E1155-T1157 PolarHBondContact O-N 2.99Å; E1155-M1158 WeakPolarHBondContact O-CA 3.38Å; E1155-M1158 WeakPolarHBondContact O-CB 3.43Å; E1155-M1158 PolarHBondContact O-N 2.98Å; E1155-E1159 PolarHBondContact O-N 2.77Å
1156E71.7Confident66.2Low130 Ų13078.9 Ų78.961%0.60740%0.396SS*.Hα-helixtrans-62.5-39.4175.2-169.7173.7-169.700112E1152 M1158 S1160E1152-E1156 WeakPolarHBondContact O-CB 3.31Å; E1152-E1156 PolarHBondContact O-N 2.84Å; E1156-M1158 VanDerWaalsContact C-N 3.32Å; E1156-S1160 VanDerWaalsContact O-CB 3.27Å; E1156-S1160 WeakPolarHBondContact O-CB 3.36Å; E1156-S1160 PolarHBondContact O-N 3.49Å; E1156-S1160 VanDerWaalsContact O-N 3.15Å
1157T71.2Confident67.3Low62 Ų6280.7 Ų80.738%0.3840%0.398SS..Hα-helixtrans-73.1-21169.463.70000113.6N1023 T1153 L1154 E1155 M1161N1023-T1157 WeakPolarHBondContact ND2-CB 3.46Å; N1023-T1157 PolarHBondContact ND2-O 2.85Å; N1023-T1157 PolarHBondContact ND2-OG1 3.44Å; N1023-T1157 VanDerWaalsContact ND2-OG1 3.15Å; T1153-T1157 PolarHBondContact O-N 2.83Å; L1154-T1157 WeakPolarHBondContact CA-OG1 3.34Å; L1154-T1157 PolarHBondContact O-OG1 2.88Å; L1154-T1157 VanDerWaalsContact O-OG1 3.14Å; E1155-T1157 VanDerWaalsContact C-N 3.32Å; E1155-T1157 PolarHBondContact O-N 2.99Å; T1157-M1161 WeakPolarHBondContact O-CB 3.4Å; T1157-M1161 PolarHBondContact O-N 2.79Å; T1157-M1161 VanDerWaalsContact O-N 3.13Å
1158M68.9Low68Low41 Ų4179.2 Ų79.220%0.20240%0.396CS..Hα-helixtrans-63.4-57172.3-172.4-156.5-145.200110.3Q1022 N1023 L1024 L1154 E1155 E1156 M1161 V1162Q1022-M1158 HydrophobicContact CB-CG 4.41Å; Q1022-M1158 HydrophobicContact CG-CB 4.44Å; Q1022-M1158 HydrophobicContact CG-CE 3.5Å; Q1022-M1158 VanDerWaalsContact CG-CE 3.5Å; Q1022-M1158 HydrophobicContact CG-CG 3.16Å; Q1022-M1158 HydrophobicContact CG-SD 4.03Å; Q1022-M1158 VanDerWaalsContact NE2-CE 3.34Å; N1023-M1158 HydrophobicContact CB-CB 4.21Å; N1023-M1158 WeakPolarHBondContact O-CG 3.43Å; L1024-M1158 HydrophobicContact CD1-CB 3.57Å; L1024-M1158 HydrophobicContact CD1-CE 3.63Å; L1024-M1158 HydrophobicContact CD1-CG 3.55Å; L1024-M1158 HydrophobicContact CD1-SD 3.43Å; L1024-M1158 WeakPolarHBondContact CD1-SD 3.49Å; L1024-M1158 HydrophobicContact CD2-CE 3.23Å; L1024-M1158 HydrophobicContact CD2-SD 4.04Å; L1024-M1158 HydrophobicContact CG-CE 3.89Å; L1024-M1158 HydrophobicContact CG-SD 4.31Å; L1154-M1158 WeakPolarHBondContact O-CB 3.31Å; L1154-M1158 PolarHBondContact O-N 2.9Å; E1155-M1158 WeakPolarHBondContact O-CA 3.38Å; E1155-M1158 WeakPolarHBondContact O-CB 3.43Å; E1155-M1158 PolarHBondContact O-N 2.98Å; E1156-M1158 VanDerWaalsContact C-N 3.32Å; M1158-M1161 CarbonylContact O-C 3.55Å; M1158-M1161 WeakPolarHBondContact O-CA 3.43Å; M1158-M1161 WeakPolarHBondContact O-CB 3.38Å; M1158-M1161 PolarHBondContact O-N 2.86Å; M1158-V1162 PolarHBondContact O-N 2.99Å
1159E73Confident69.2Low135 Ų13582.2 Ų82.263%0.63141%0.409SS*.Hα-helixtrans-67.8-38.9-176.7-62.5-171.3152.600111.5E1155 M1161 V1162 V1163E1155-E1159 PolarHBondContact O-N 2.77Å; E1159-M1161 PolarHBondContact O-N 2.99Å; E1159-V1162 WeakPolarHBondContact O-CB 3.16Å; E1159-V1162 PolarHBondContact O-N 3.42Å; E1159-V1163 WeakPolarHBondContact O-CG2 3.42Å; E1159-V1163 PolarHBondContact O-N 2.83Å
1160S67.8Low70.1Confident83 Ų8381.9 Ų81.958%0.5842%0.415SS*.Hα-helixtrans-55.2-38.2169.6-177.20000112.2E1156 R1164E1156-S1160 VanDerWaalsContact O-CB 3.27Å; E1156-S1160 WeakPolarHBondContact O-CB 3.36Å; E1156-S1160 PolarHBondContact O-N 3.49Å; E1156-S1160 VanDerWaalsContact O-N 3.15Å; S1160-R1164 WeakPolarHBondContact O-CB 3.19Å; S1160-R1164 PolarHBondContact O-N 2.89Å
1161M65.3Low71.3Confident60 Ų6079.7 Ų79.730%0.29641%0.409SS..Hα-helixtrans-73.5-37.9173.9-160.5-179.3-72.600112L1021 Q1022 N1023 T1157 M1158 E1159 V1163 R1164 I1165L1021-M1161 VanDerWaalsContact C-SD 3.59Å; L1021-M1161 HydrophobicContact CD2-CB 4.12Å; L1021-M1161 HydrophobicContact CD2-CG 4.23Å; Q1022-M1161 PolarHBondContact N-SD 3.5Å; Q1022-M1161 VanDerWaalsContact N-SD 3.39Å; N1023-M1161 WeakPolarHBondContact ND2-CE 3.44Å; T1157-M1161 WeakPolarHBondContact O-CB 3.4Å; T1157-M1161 PolarHBondContact O-N 2.79Å; T1157-M1161 VanDerWaalsContact O-N 3.13Å; M1158-M1161 CarbonylContact O-C 3.55Å; M1158-M1161 WeakPolarHBondContact O-CA 3.43Å; M1158-M1161 WeakPolarHBondContact O-CB 3.38Å; M1158-M1161 PolarHBondContact O-N 2.86Å; E1159-M1161 PolarHBondContact O-N 2.99Å; M1161-V1163 PolarHBondContact O-N 3.43Å; M1161-R1164 PolarHBondContact O-N 3.39Å; M1161-I1165 HydrophobicContact CG-CD1 3.45Å; M1161-I1165 VanDerWaalsContact CG-CD1 3.45Å; M1161-I1165 WeakPolarHBondContact O-CD1 3.43Å; M1161-I1165 PolarHBondContact O-N 2.98Å; M1161-I1165 VanDerWaalsContact O-N 3.09Å; M1161-I1165 HydrophobicContact SD-CD1 4.35Å
1162V81.1Confident72Confident36 Ų3682.9 Ų82.922%0.21843%0.427CS..Hα-helixtrans-54.1-57.2173.5179.80000110.1L1021 M1158 E1159 R1164 I1165 E1166L1021-V1162 HydrophobicContact CD1-CB 4.48Å; L1021-V1162 HydrophobicContact CD1-CG2 4.19Å; L1021-V1162 HydrophobicContact CD2-CB 4.12Å; L1021-V1162 HydrophobicContact CD2-CG2 3.62Å; L1021-V1162 VanDerWaalsContact CD2-N 3.34Å; M1158-V1162 PolarHBondContact O-N 2.99Å; E1159-V1162 WeakPolarHBondContact O-CB 3.16Å; E1159-V1162 PolarHBondContact O-N 3.42Å; V1162-R1164 VanDerWaalsContact C-N 3.28Å; V1162-R1164 PolarHBondContact O-N 2.94Å; V1162-I1165 PolarHBondContact O-N 3Å; V1162-E1166 HydrophobicContact CG1-CG 4.38Å; V1162-E1166 PolarHBondContact O-N 3.35Å
1163V78.1Confident72.9Confident75 Ų7584.1 Ų84.146%0.45544%0.436SS..Hα-helixtrans-60.2-39.9-175.8173.30000110.8E1159 M1161 I1165 Q1167E1159-V1163 WeakPolarHBondContact O-CG2 3.42Å; E1159-V1163 PolarHBondContact O-N 2.83Å; M1161-V1163 PolarHBondContact O-N 3.43Å; V1163-I1165 VanDerWaalsContact C-N 3.28Å; V1163-I1165 PolarHBondContact O-N 3.18Å; V1163-Q1167 WeakPolarHBondContact O-CB 3.41Å; V1163-Q1167 WeakPolarHBondContact O-CG 3.36Å; V1163-Q1167 PolarHBondContact O-N 3.49Å
1164R74.9Confident73.9Confident161 Ų16186.8 Ų86.861%0.60844%0.443SS*.Hα-helixtrans-63.8-30.8175.6-174.3174.3179.781.41.4113.1S1160 M1161 V1162 L1168S1160-R1164 WeakPolarHBondContact O-CB 3.19Å; S1160-R1164 PolarHBondContact O-N 2.89Å; M1161-R1164 PolarHBondContact O-N 3.39Å; V1162-R1164 VanDerWaalsContact C-N 3.28Å; V1162-R1164 PolarHBondContact O-N 2.94Å; R1164-L1168 HydrophobicContact CG-CD1 4.39Å; R1164-L1168 VanDerWaalsContact O-CG 3.28Å; R1164-L1168 WeakPolarHBondContact O-CG 3.31Å; R1164-L1168 PolarHBondContact O-N 3.44Å
1165I77.5Confident74.5Confident13 Ų1388.7 Ų88.77%0.06745%0.449CS..Hα-helixtrans-89-32.4-178.1-82.3122.2000113.2S1020 L1021 M1161 V1162 V1163 Q1167 L1168 Q1169S1020-I1165 WeakPolarHBondContact O-CD1 3.35Å; S1020-I1165 WeakPolarHBondContact O-CG1 3.4Å; S1020-I1165 WeakPolarHBondContact OG-CD1 3.47Å; S1020-I1165 WeakPolarHBondContact OG-CG1 3.48Å; L1021-I1165 HydrophobicContact CB-CD1 4.4Å; L1021-I1165 HydrophobicContact CG-CB 4.36Å; L1021-I1165 HydrophobicContact CG-CD1 4.13Å; L1021-I1165 HydrophobicContact CG-CG2 4.36Å; M1161-I1165 HydrophobicContact CG-CD1 3.45Å; M1161-I1165 VanDerWaalsContact CG-CD1 3.45Å; M1161-I1165 WeakPolarHBondContact O-CD1 3.43Å; M1161-I1165 PolarHBondContact O-N 2.98Å; M1161-I1165 VanDerWaalsContact O-N 3.09Å; M1161-I1165 HydrophobicContact SD-CD1 4.35Å; V1162-I1165 PolarHBondContact O-N 3Å; V1163-I1165 VanDerWaalsContact C-N 3.28Å; V1163-I1165 PolarHBondContact O-N 3.18Å; I1165-Q1167 VanDerWaalsContact C-N 3.29Å; I1165-L1168 HydrophobicContact CG1-CD1 4.38Å; I1165-L1168 PolarHBondContact O-N 3.07Å; I1165-Q1169 WeakPolarHBondContact O-CB 3.24Å; I1165-Q1169 WeakPolarHBondContact O-CG 3.38Å; I1165-Q1169 PolarHBondContact O-N 2.99Å
1166E77.3Confident74.7Confident125 Ų12589.2 Ų89.258%0.58445%0.454SS*.Hα-helixtrans-62.2-40164.2-66.7-171146.700110.8V1162 Q1169 A1170V1162-E1166 HydrophobicContact CG1-CG 4.38Å; V1162-E1166 PolarHBondContact O-N 3.35Å; E1166-Q1169 PolarHBondContact O-N 3.21Å; E1166-A1170 WeakPolarHBondContact O-CB 3.42Å; E1166-A1170 PolarHBondContact O-N 2.93Å
1167Q78.9Confident75Confident122 Ų12286 Ų8657%0.5745%0.446SS*.Hα-helixtrans-62.1-42171.8-74.9170.38.200112.8V1163 I1165 A1170 L1171V1163-Q1167 WeakPolarHBondContact O-CB 3.41Å; V1163-Q1167 WeakPolarHBondContact O-CG 3.36Å; V1163-Q1167 PolarHBondContact O-N 3.49Å; I1165-Q1167 VanDerWaalsContact C-N 3.29Å; Q1167-A1170 PolarHBondContact O-N 2.95Å; Q1167-L1171 WeakPolarHBondContact O-CB 3.34Å; Q1167-L1171 PolarHBondContact O-N 3.34Å
1168L67.9Low75.5Confident87 Ų8787.3 Ų87.346%0.45545%0.447SS..Hα-helixtrans-67.4-40.7175.9-76.8166000112R1164 I1165 L1171 D1172R1164-L1168 HydrophobicContact CG-CD1 4.39Å; R1164-L1168 VanDerWaalsContact O-CG 3.28Å; R1164-L1168 WeakPolarHBondContact O-CG 3.31Å; R1164-L1168 PolarHBondContact O-N 3.44Å; I1165-L1168 HydrophobicContact CG1-CD1 4.38Å; I1165-L1168 PolarHBondContact O-N 3.07Å; L1168-L1171 PolarHBondContact O-N 2.74Å; L1168-D1172 WeakPolarHBondContact O-CB 3.46Å; L1168-D1172 PolarHBondContact O-N 2.83Å
1169Q78.6Confident76.1Confident98 Ų9889.3 Ų89.346%0.45846%0.458SS..Hα-helixtrans-66.3-37.9174.5-74.9-175.3-7.900112.1I1165 E1166 D1172 N1173I1165-Q1169 WeakPolarHBondContact O-CB 3.24Å; I1165-Q1169 WeakPolarHBondContact O-CG 3.38Å; I1165-Q1169 PolarHBondContact O-N 2.99Å; E1166-Q1169 PolarHBondContact O-N 3.21Å; Q1169-D1172 PolarHBondContact O-N 3.46Å; Q1169-N1173 VanDerWaalsContact O-CB 3.27Å; Q1169-N1173 WeakPolarHBondContact O-CB 3.23Å; Q1169-N1173 PolarHBondContact O-N 3.27Å; Q1169-N1173 PolarHBondContact O-ND2 3.46Å
1170A76.4Confident76.5Confident62 Ų6289.2 Ų89.251%0.51246%0.457SS..Hα-helixtrans-63.1-42.6173.400000111.7E1166 Q1167 F1174E1166-A1170 WeakPolarHBondContact O-CB 3.42Å; E1166-A1170 PolarHBondContact O-N 2.93Å; Q1167-A1170 PolarHBondContact O-N 2.95Å; A1170-F1174 WeakPolarHBondContact O-CB 3.25Å; A1170-F1174 PolarHBondContact O-N 2.67Å
1171L78.7Confident77.2Confident89 Ų8991.6 Ų91.647%0.46646%0.459SS..Hα-helixtrans-67.9-38.5176.9-173.966.2000112.5Q1167 L1168 F1174 K1175Q1167-L1171 WeakPolarHBondContact O-CB 3.34Å; Q1167-L1171 PolarHBondContact O-N 3.34Å; L1168-L1171 PolarHBondContact O-N 2.74Å; L1171-F1174 PolarHBondContact O-N 3.43Å; L1171-K1175 WeakPolarHBondContact O-CG 3.35Å; L1171-K1175 PolarHBondContact O-N 3.39Å
1172D73.4Confident77.8Confident93 Ų9393.6 Ų93.650%0.49747%0.471SS..Hα-helixtrans-72.3-40178.6-153.461.8000111.2L1168 Q1169 F1174 K1175 N1176L1168-D1172 WeakPolarHBondContact O-CB 3.46Å; L1168-D1172 PolarHBondContact O-N 2.83Å; Q1169-D1172 PolarHBondContact O-N 3.46Å; D1172-F1174 VanDerWaalsContact C-N 3.32Å; D1172-F1174 PolarHBondContact O-N 2.98Å; D1172-K1175 PolarHBondContact O-N 2.98Å; D1172-N1176 WeakPolarHBondContact O-CB 3.27Å; D1172-N1176 VanDerWaalsContact O-CG 3.25Å; D1172-N1176 PolarHBondContact O-N 3.44Å; D1172-N1176 PolarHBondContact O-ND2 3.37Å; D1172-N1176 PolarHBondContact OD2-ND2 2.83Å
1173N76.6Confident77.6Confident109 Ų10997 Ų9758%0.58348%0.484SS*.Hα-helixtrans-60.5-39.8169.9-75-36.8000112.1Q1169 N1176 S1177Q1169-N1173 VanDerWaalsContact O-CB 3.27Å; Q1169-N1173 WeakPolarHBondContact O-CB 3.23Å; Q1169-N1173 PolarHBondContact O-N 3.27Å; Q1169-N1173 PolarHBondContact O-ND2 3.46Å; N1173-N1176 PolarHBondContact O-N 2.92Å; N1173-S1177 PolarHBondContact O-N 2.89Å; N1173-S1177 PolarHBondContact O-OG 3.45Å
1174F77.4Confident77.6Confident117 Ų11796.4 Ų96.451%0.51348%0.483SS..Hα-helixtrans-62.5-48.7175-173.6-96.1000111.4A1170 L1171 D1172 N1176 S1177 E1178A1170-F1174 WeakPolarHBondContact O-CB 3.25Å; A1170-F1174 PolarHBondContact O-N 2.67Å; L1171-F1174 PolarHBondContact O-N 3.43Å; D1172-F1174 VanDerWaalsContact C-N 3.32Å; D1172-F1174 PolarHBondContact O-N 2.98Å; F1174-N1176 VanDerWaalsContact C-N 3.33Å; F1174-N1176 PolarHBondContact O-N 3.32Å; F1174-S1177 WeakPolarHBondContact O-CA 3.48Å; F1174-S1177 PolarHBondContact O-N 2.86Å; F1174-S1177 VanDerWaalsContact O-N 3.07Å; F1174-S1177 PolarHBondContact O-OG 3.02Å; F1174-E1178 HydrophobicContact CD1-CG 4.25Å; F1174-E1178 VanDerWaalsContact CE1-CD 3.41Å; F1174-E1178 HydrophobicContact CE1-CG 3.92Å; F1174-E1178 WeakPolarHBondContact CE1-OE1 3.45Å; F1174-E1178 HydrophobicContact CZ-CG 4.4Å; F1174-E1178 PolarHBondContact O-N 3.37Å
1175K77.5Confident77.9Confident98 Ų9892.3 Ų92.343%0.42647%0.473SS..Hα-helixtrans-60.4-39.4174.4-75.3-178.8175.6-173.70113.1L1171 D1172 S1177 E1178 I1179L1171-K1175 WeakPolarHBondContact O-CG 3.35Å; L1171-K1175 PolarHBondContact O-N 3.39Å; D1172-K1175 PolarHBondContact O-N 2.98Å; K1175-S1177 VanDerWaalsContact C-N 3.29Å; K1175-S1177 PolarHBondContact O-N 3.4Å; K1175-E1178 PolarHBondContact O-N 3.02Å; K1175-I1179 WeakPolarHBondContact O-CB 3.21Å; K1175-I1179 VanDerWaalsContact O-CG1 3.25Å; K1175-I1179 WeakPolarHBondContact O-CG1 3.41Å; K1175-I1179 PolarHBondContact O-N 3.19Å
1176N75.7Confident78Confident78 Ų7895.6 Ų95.642%0.41749%0.49SS..Hα-helixtrans-65.7-33.1175.6-73.4-45.2000111.4D1172 N1173 F1174 H1180D1172-N1176 WeakPolarHBondContact O-CB 3.27Å; D1172-N1176 VanDerWaalsContact O-CG 3.25Å; D1172-N1176 PolarHBondContact O-N 3.44Å; D1172-N1176 PolarHBondContact O-ND2 3.37Å; D1172-N1176 PolarHBondContact OD2-ND2 2.83Å; N1173-N1176 PolarHBondContact O-N 2.92Å; F1174-N1176 VanDerWaalsContact C-N 3.33Å; F1174-N1176 PolarHBondContact O-N 3.32Å; N1176-H1180 VanDerWaalsContact O-CB 3.31Å; N1176-H1180 WeakPolarHBondContact O-CB 3.21Å; N1176-H1180 PolarHBondContact O-N 3.45Å
1177S78Confident77.9Confident63 Ų6394.6 Ų94.644%0.44149%0.488SS..Hα-helixtrans-69.7-41169.960.90000113.2N1173 F1174 K1175 I1179 H1180 E1181N1173-S1177 PolarHBondContact O-N 2.89Å; N1173-S1177 PolarHBondContact O-OG 3.45Å; F1174-S1177 WeakPolarHBondContact O-CA 3.48Å; F1174-S1177 PolarHBondContact O-N 2.86Å; F1174-S1177 VanDerWaalsContact O-N 3.07Å; F1174-S1177 PolarHBondContact O-OG 3.02Å; K1175-S1177 VanDerWaalsContact C-N 3.29Å; K1175-S1177 PolarHBondContact O-N 3.4Å; S1177-I1179 PolarHBondContact O-N 2.97Å; S1177-H1180 PolarHBondContact O-N 3.41Å; S1177-E1181 WeakPolarHBondContact O-CB 3.42Å; S1177-E1181 PolarHBondContact O-N 3.25Å
1178E82.5Confident77.7Confident89 Ų8994.7 Ų94.742%0.41649%0.488SS..Hα-helixtrans-61.6-42.3173-68.6-178.8131.100111.5F1174 K1175 E1181 L1182F1174-E1178 HydrophobicContact CD1-CG 4.25Å; F1174-E1178 VanDerWaalsContact CE1-CD 3.41Å; F1174-E1178 HydrophobicContact CE1-CG 3.92Å; F1174-E1178 WeakPolarHBondContact CE1-OE1 3.45Å; F1174-E1178 HydrophobicContact CZ-CG 4.4Å; F1174-E1178 PolarHBondContact O-N 3.37Å; K1175-E1178 PolarHBondContact O-N 3.02Å; E1178-E1181 PolarHBondContact O-N 3.44Å; E1178-L1182 WeakPolarHBondContact O-CB 3.25Å; E1178-L1182 VanDerWaalsContact O-CG 3.23Å; E1178-L1182 WeakPolarHBondContact O-CG 3.44Å; E1178-L1182 PolarHBondContact O-N 3.14Å
1179I81.8Confident77.4Confident83 Ų8395.2 Ų95.243%0.42649%0.491SS..Hα-helixtrans-64.4-41.7176.2-70.4164.9000110.9K1175 S1177 L1182 Q1183K1175-I1179 WeakPolarHBondContact O-CB 3.21Å; K1175-I1179 VanDerWaalsContact O-CG1 3.25Å; K1175-I1179 WeakPolarHBondContact O-CG1 3.41Å; K1175-I1179 PolarHBondContact O-N 3.19Å; S1177-I1179 PolarHBondContact O-N 2.97Å; I1179-L1182 PolarHBondContact O-N 3.05Å; I1179-Q1183 WeakPolarHBondContact O-CB 3.46Å; I1179-Q1183 VanDerWaalsContact O-CG 3.26Å; I1179-Q1183 WeakPolarHBondContact O-CG 3.45Å; I1179-Q1183 PolarHBondContact O-N 3.18Å
1180H80.5Confident77.1Confident133 Ų13398.4 Ų98.462%0.61650%0.499SS*.Hα-helixtrans-71.5-31.9178.6-161.2-45000112.3N1176 S1177 S1184N1176-H1180 VanDerWaalsContact O-CB 3.31Å; N1176-H1180 WeakPolarHBondContact O-CB 3.21Å; N1176-H1180 PolarHBondContact O-N 3.45Å; S1177-H1180 PolarHBondContact O-N 3.41Å; H1180-S1184 WeakPolarHBondContact O-CB 3.38Å; H1180-S1184 PolarHBondContact O-N 3.48Å
1181E82.2Confident76.6Confident133 Ų13396.8 Ų96.862%0.62149%0.488SS*.Hα-helixtrans-70.6-43.4172.1-171.1167.8-144.400111S1177 E1178 Q1183 S1184 I1185S1177-E1181 WeakPolarHBondContact O-CB 3.42Å; S1177-E1181 PolarHBondContact O-N 3.25Å; E1178-E1181 PolarHBondContact O-N 3.44Å; E1181-Q1183 PolarHBondContact O-N 3.32Å; E1181-S1184 CarbonylContact O-C 3.49Å; E1181-S1184 WeakPolarHBondContact O-CB 3.41Å; E1181-S1184 PolarHBondContact O-N 3.06Å; E1181-S1184 VanDerWaalsContact O-N 3.14Å; E1181-I1185 HydrophobicContact CG-CD1 4.11Å; E1181-I1185 VanDerWaalsContact O-CG1 3.31Å; E1181-I1185 WeakPolarHBondContact O-CG1 3.35Å; E1181-I1185 PolarHBondContact O-N 2.93Å
1182L78.6Confident75.9Confident102 Ų10296.7 Ų96.753%0.53449%0.488SS..Hα-helixtrans-61.4-40.8172.2-73.7169.7000112.3E1178 I1179 I1185 I1186E1178-L1182 WeakPolarHBondContact O-CB 3.25Å; E1178-L1182 VanDerWaalsContact O-CG 3.23Å; E1178-L1182 WeakPolarHBondContact O-CG 3.44Å; E1178-L1182 PolarHBondContact O-N 3.14Å; I1179-L1182 PolarHBondContact O-N 3.05Å; L1182-I1185 PolarHBondContact O-N 3.4Å; L1182-I1186 WeakPolarHBondContact O-CB 3.28Å; L1182-I1186 WeakPolarHBondContact O-CD1 3.35Å; L1182-I1186 VanDerWaalsContact O-CG1 3.24Å; L1182-I1186 WeakPolarHBondContact O-CG1 3.34Å; L1182-I1186 PolarHBondContact O-N 3.43Å
1183Q78Confident74.9Confident107 Ų10797.1 Ų97.150%0.549%0.491SS..Hα-helixtrans-64.9-38.8172.8-76.3174.7-2.600111.7I1179 E1181 I1186 N1187I1179-Q1183 WeakPolarHBondContact O-CB 3.46Å; I1179-Q1183 VanDerWaalsContact O-CG 3.26Å; I1179-Q1183 WeakPolarHBondContact O-CG 3.45Å; I1179-Q1183 PolarHBondContact O-N 3.18Å; E1181-Q1183 PolarHBondContact O-N 3.32Å; Q1183-I1186 PolarHBondContact O-N 2.89Å; Q1183-N1187 WeakPolarHBondContact O-CB 3.49Å; Q1183-N1187 PolarHBondContact O-N 2.95Å; Q1183-N1187 PolarHBondContact O-ND2 2.83Å
1184S77.2Confident73.7Confident63 Ų6399 Ų9944%0.44150%0.498SS..Hα-helixtrans-62-44.3173-166.30000111.5H1180 E1181 N1187 Q1188H1180-S1184 WeakPolarHBondContact O-CB 3.38Å; H1180-S1184 PolarHBondContact O-N 3.48Å; E1181-S1184 CarbonylContact O-C 3.49Å; E1181-S1184 WeakPolarHBondContact O-CB 3.41Å; E1181-S1184 PolarHBondContact O-N 3.06Å; E1181-S1184 VanDerWaalsContact O-N 3.14Å; S1184-N1187 PolarHBondContact O-N 3.28Å; S1184-Q1188 VanDerWaalsContact O-CB 3.27Å; S1184-Q1188 WeakPolarHBondContact O-CB 3.45Å; S1184-Q1188 PolarHBondContact O-N 2.7Å
1185I80.7Confident72.1Confident75 Ų7599.6 Ų99.639%0.38551%0.506SS..Hα-helixtrans-66.5-41.9178.2-68.6163.4000111.1E1181 L1182 N1187 Q1188 L1189E1181-I1185 HydrophobicContact CG-CD1 4.11Å; E1181-I1185 VanDerWaalsContact O-CG1 3.31Å; E1181-I1185 WeakPolarHBondContact O-CG1 3.35Å; E1181-I1185 PolarHBondContact O-N 2.93Å; L1182-I1185 PolarHBondContact O-N 3.4Å; I1185-N1187 VanDerWaalsContact C-N 3.34Å; I1185-N1187 PolarHBondContact O-N 2.91Å; I1185-Q1188 PolarHBondContact O-N 2.74Å; I1185-L1189 HydrophobicContact CG2-CD1 3.9Å; I1185-L1189 HydrophobicContact CG2-CG 4.38Å; I1185-L1189 WeakPolarHBondContact O-CB 3.47Å; I1185-L1189 VanDerWaalsContact O-CG 3.27Å; I1185-L1189 WeakPolarHBondContact O-CG 3.22Å; I1185-L1189 PolarHBondContact O-N 3.5Å
1186I79.6Confident70.4Confident82 Ų8298.8 Ų98.842%0.42151%0.513SS..Hα-helixtrans-63.7-40.4175.6-71.2163.9000111.1L1182 Q1183 R1190L1182-I1186 WeakPolarHBondContact O-CB 3.28Å; L1182-I1186 WeakPolarHBondContact O-CD1 3.35Å; L1182-I1186 VanDerWaalsContact O-CG1 3.24Å; L1182-I1186 WeakPolarHBondContact O-CG1 3.34Å; L1182-I1186 PolarHBondContact O-N 3.43Å; Q1183-I1186 PolarHBondContact O-N 2.89Å; I1186-R1190 WeakPolarHBondContact O-CB 3.41Å; I1186-R1190 VanDerWaalsContact O-CG 3.27Å; I1186-R1190 WeakPolarHBondContact O-CG 3.43Å; I1186-R1190 PolarHBondContact O-N 2.77Å
1187N75.2Confident68.6Low104 Ų104103 Ų10356%0.55653%0.527SS*.Hα-helixtrans-70.9-34.1176.2-70.6-20.9000112.3Q1183 S1184 I1185 G1191Q1183-N1187 WeakPolarHBondContact O-CB 3.49Å; Q1183-N1187 PolarHBondContact O-N 2.95Å; Q1183-N1187 PolarHBondContact O-ND2 2.83Å; S1184-N1187 PolarHBondContact O-N 3.28Å; I1185-N1187 VanDerWaalsContact C-N 3.34Å; I1185-N1187 PolarHBondContact O-N 2.91Å; N1187-G1191 PolarHBondContact O-N 2.97Å
1188Q75.1Confident66.3Low123 Ų123104.6 Ų104.658%0.57554%0.539SS*.Hα-helixtrans-67.7-48.1175.3-170.5162.826.500111.1S1184 I1185 R1190 G1191 D1192S1184-Q1188 VanDerWaalsContact O-CB 3.27Å; S1184-Q1188 WeakPolarHBondContact O-CB 3.45Å; S1184-Q1188 PolarHBondContact O-N 2.7Å; I1185-Q1188 PolarHBondContact O-N 2.74Å; Q1188-R1190 VanDerWaalsContact C-N 3.32Å; Q1188-R1190 PolarHBondContact O-N 3.07Å; Q1188-G1191 CarbonylContact O-C 3.53Å; Q1188-G1191 WeakPolarHBondContact O-CA 3.5Å; Q1188-G1191 PolarHBondContact O-N 3.37Å; Q1188-D1192 PolarHBondContact O-N 2.91Å
1189L61.8Low63.8Low98 Ų98108.5 Ų108.551%0.51356%0.561SS.*Hα-helixtrans-58.2-41.8174-70.8168.3000112I1185 G1191 D1192 D1193I1185-L1189 HydrophobicContact CG2-CD1 3.9Å; I1185-L1189 HydrophobicContact CG2-CG 4.38Å; I1185-L1189 WeakPolarHBondContact O-CB 3.47Å; I1185-L1189 VanDerWaalsContact O-CG 3.27Å; I1185-L1189 WeakPolarHBondContact O-CG 3.22Å; I1185-L1189 PolarHBondContact O-N 3.5Å; L1189-G1191 VanDerWaalsContact C-N 3.27Å; L1189-G1191 PolarHBondContact O-N 3.04Å; L1189-D1192 PolarHBondContact O-N 2.86Å; L1189-D1193 WeakPolarHBondContact O-CB 3.32Å; L1189-D1193 VanDerWaalsContact O-CG 3.3Å; L1189-D1193 PolarHBondContact O-N 3.18Å
1190R72.4Confident61.3Low166 Ų166109.3 Ų109.363%0.62658%0.581SS**Hα-helixtrans-65.8-27173.2-73.3174.6-176.8-165.31.4113.8I1186 Q1188 M1194I1186-R1190 WeakPolarHBondContact O-CB 3.41Å; I1186-R1190 VanDerWaalsContact O-CG 3.27Å; I1186-R1190 WeakPolarHBondContact O-CG 3.43Å; I1186-R1190 PolarHBondContact O-N 2.77Å; Q1188-R1190 VanDerWaalsContact C-N 3.32Å; Q1188-R1190 PolarHBondContact O-N 3.07Å; R1190-M1194 WeakPolarHBondContact O-CG 3.43Å; R1190-M1194 PolarHBondContact O-N 3.31Å
1191G66.3Low58.9Low27 Ų27108.4 Ų108.428%0.27859%0.589SS.*Hα-helixtrans-72.4-42.3171.100000111.8N1187 Q1188 L1189 M1194 N1195N1187-G1191 PolarHBondContact O-N 2.97Å; Q1188-G1191 CarbonylContact O-C 3.53Å; Q1188-G1191 WeakPolarHBondContact O-CA 3.5Å; Q1188-G1191 PolarHBondContact O-N 3.37Å; L1189-G1191 VanDerWaalsContact C-N 3.27Å; L1189-G1191 PolarHBondContact O-N 3.04Å; G1191-M1194 PolarHBondContact O-N 3.42Å; G1191-N1195 WeakPolarHBondContact O-CB 3.39Å; G1191-N1195 PolarHBondContact O-N 3.05Å; G1191-N1195 PolarHBondContact O-ND2 3.35Å
1192D63Low56.3Low87 Ų87107.7 Ų107.747%0.46560%0.599SS.*Hα-helixtrans-68-36.9177.5-62-28.2000111.6Q1188 L1189 M1194 N1195 S1196Q1188-D1192 PolarHBondContact O-N 2.91Å; L1189-D1192 PolarHBondContact O-N 2.86Å; D1192-M1194 VanDerWaalsContact C-N 3.25Å; D1192-M1194 PolarHBondContact O-N 2.85Å; D1192-N1195 PolarHBondContact O-N 3.38Å; D1192-S1196 VanDerWaalsContact O-CB 3.3Å; D1192-S1196 WeakPolarHBondContact O-CB 3.38Å; D1192-S1196 PolarHBondContact O-N 3.44Å; D1192-S1196 VanDerWaalsContact O-N 3.15Å; D1192-S1196 PolarHBondContact O-OG 3.48Å
1193D53.9Low54.2Low103 Ų103109.1 Ų109.155%0.55161%0.614SS**Hα-helixtrans-67.1-20.4172.6-73.8-26.1000113.6L1189 S1196L1189-D1193 WeakPolarHBondContact O-CB 3.32Å; L1189-D1193 VanDerWaalsContact O-CG 3.3Å; L1189-D1193 PolarHBondContact O-N 3.18Å; D1193-S1196 WeakPolarHBondContact CA-OG 3.3Å; D1193-S1196 PolarHBondContact O-OG 2.9Å
1194M51.3Low51.6Low149 Ų149109.6 Ų109.673%0.73463%0.629SS**Hα-helixtrans-91.3-40.3173.8-77.5-67.3-158.100112.1R1190 G1191 D1192 S1196R1190-M1194 WeakPolarHBondContact O-CG 3.43Å; R1190-M1194 PolarHBondContact O-N 3.31Å; G1191-M1194 PolarHBondContact O-N 3.42Å; D1192-M1194 VanDerWaalsContact C-N 3.25Å; D1192-M1194 PolarHBondContact O-N 2.85Å; M1194-S1196 PolarHBondContact O-N 2.88Å
1195N43.2Very low49.3Very low129 Ų129114.6 Ų114.669%0.6965%0.646SS**Hα-helixtrans-73.5-8.4178.5-72.6-30.2000113.8G1191 D1192G1191-N1195 WeakPolarHBondContact O-CB 3.39Å; G1191-N1195 PolarHBondContact O-N 3.05Å; G1191-N1195 PolarHBondContact O-ND2 3.35Å; D1192-N1195 PolarHBondContact O-N 3.38Å
1196S42.1Very low46.8Very low80 Ų80119 Ų11956%0.55966%0.662SS**THydrogen-bonded Turntrans-95.35.8179.349.20000114.7D1192 D1193 M1194D1192-S1196 VanDerWaalsContact O-CB 3.3Å; D1192-S1196 WeakPolarHBondContact O-CB 3.38Å; D1192-S1196 PolarHBondContact O-N 3.44Å; D1192-S1196 VanDerWaalsContact O-N 3.15Å; D1192-S1196 PolarHBondContact O-OG 3.48Å; D1193-S1196 WeakPolarHBondContact CA-OG 3.3Å; D1193-S1196 PolarHBondContact O-OG 2.9Å; M1194-S1196 PolarHBondContact O-N 2.88Å
1197K37.3Very low44.2Very low167 Ų167122.6 Ų122.673%0.72668%0.677SS**SBendtrans-112.317.6-177-66.5-170.6177.5-175.10115.5
1198S30Very low41.9Very low97 Ų97122.8 Ų122.868%0.67868%0.684SS**SBendtrans-117.711.6-174.653.50000115.4
1199L29.8Very low39.7Very low170 Ų170126.3 Ų126.389%0.8970%0.697SS**  trans-141.8117.1173.7-95.8163.1000110.1
1200A30.2Very low38.1Very low101 Ų101127 Ų12784%0.83571%0.708SS**  trans-137.6112.7-177.400000112.1
1201S28.9Very low36.2Very low114 Ų114125.3 Ų125.380%0.79772%0.718SS**  trans-169.5149155.251.80000111.5
1202S28.1Very low34.3Very low117 Ų117134.3 Ų134.382%0.81874%0.744SS**  trans67.9122.3167.1-57.10000118.4
1203P33.9Very low32.7Very low132 Ų132134.1 Ų134.186%0.85775%0.75SS**  trans-105.8123.2-172.136.8-30.7000115.2
1204S24.2Very low31.4Very low117 Ų117134.5 Ų134.582%0.81876%0.756SS**  trans-161.5137.615764.80000114.2
1205H29.4Very low30.1Very low169 Ų169133 Ų13378%0.78276%0.759SS**  trans76.992.5154.8-113.741.5000121.3
1206F26.7Very low29.3Very low166 Ų166131.7 Ų131.773%0.72876%0.76SS**  82.4134.1129.7-90.4-50.7000125.3
1207Q24.8Very low28.6Very low159 Ų159138.6 Ų138.674%0.74377%0.773SS**  trans81.2102.2146.7-71.4-17625.800121.8
1208P27.6Very low28Very low108 Ų108137 Ų13770%0.70178%0.778SS**PPolyproline II helixtrans-68.3155.6145-11.128.2000111.8
1209K29.1Very low28.1Very low196 Ų196136 Ų13685%0.85276%0.764SS**PPolyproline II helixtrans-103.5145.4178.8-70.7166.7-174.6154.70111.8
1210P27.2Very low28.2Very low113 Ų113131.6 Ų131.673%0.73475%0.746SS**PPolyproline II helixtrans-89.1149.2-175.834.5-35.9000114
1211P33.3Very low28.2Very low130 Ų130133 Ų13384%0.84474%0.739SS**PPolyproline II helixtrans-68.3136.6161.1-16.431.1000112.2
1212R27.1Very low28.4Very low216 Ų216130.8 Ų130.882%0.81573%0.728SS**PPolyproline II helixtrans-96.6163.3165.8-94.9-168.4157.196.8-8.1109.2
1213S28Very low28.7Very low84 Ų84129.3 Ų129.359%0.58771%0.71SS**  cis-167.2166.1-4.9-116.30000109
1214T26.5Very low28.9Very low111 Ų111128.1 Ų128.168%0.68169%0.689SS**  cis-177.3131.6-41.931.20000106.2
1215S25.5Very low29.5Very low116 Ų116127.5 Ų127.581%0.81167%0.673SS**SBendtrans-145.3162.1158.4-163.80000110.3
1216C26.7Very low29.6Very low103 Ų103124.2 Ų124.270%0.69666%0.661SS**  trans56.286.6-174.8-62.20000115
1217R26.1Very low30.1Very low224 Ų224118.9 Ų118.985%0.84564%0.64SS**  trans-128.791.9164.3-86.7-167.5171-143.9-3.7111
1218T25.5Very low30.5Very low135 Ų135117.7 Ų117.783%0.82863%0.634SS**  trans-169.984.3154.6410000109
1219L30.9Very low30.6Very low74 Ų74120.1 Ų120.139%0.38764%0.642SS.*SBendtrans-152.2150.1165-99.5178.8000107.8L1853L1219-L1853 HydrophobicContact CD1-CD1 3.79Å; L1219-L1853 HydrophobicContact CD2-CD1 3.89Å; L1219-L1853 HydrophobicContact CG-CD1 3.74Å
1220P33.1Very low30.9Very low78 Ų78112.2 Ų112.251%0.50661%0.613SS.*  trans-69.1144.6178.4-1933000112.9A1222P1220-A1222 PolarHBondContact O-N 2.98Å; P1220-A1222 VanDerWaalsContact O-N 3.07Å
1221D29.9Very low30.8Very low130 Ų130112.1 Ų112.170%0.69561%0.605SS**G310 helixtrans-67.8-12.6-167.9-59.8-70.1000115.4M1223 Y1224D1221-M1223 PolarHBondContact O-N 3.28Å; D1221-Y1224 PolarHBondContact O-N 2.83Å
1222A32.7Very low30.6Very low68 Ų68108.9 Ų108.956%0.56259%0.585SS**G310 helixtrans-63.9-1.1-176.100000116.4P1220P1220-A1222 PolarHBondContact O-N 2.98Å; P1220-A1222 VanDerWaalsContact O-N 3.07Å
1223M34.8Very low30.7Very low87 Ų87105 Ų10543%0.42958%0.58SS.*G310 helixtrans-112.35.4173.2-64.8-153.8-55.100114.5D1221D1221-M1223 PolarHBondContact O-N 3.28Å
1224Y38.5Very low30.9Very low106 Ų106107.6 Ų107.642%0.41659%0.587SS.*SBendtrans-80.9-24.2-178.3-90.8-81.6000114.8D1221 L1227D1221-Y1224 PolarHBondContact O-N 2.83Å; Y1224-L1227 HydrophobicContact CD1-CD2 4.24Å; Y1224-L1227 HydrophobicContact CE1-CD2 4.25Å; Y1224-L1227 VanDerWaalsContact O-CB 3.31Å; Y1224-L1227 WeakPolarHBondContact O-CB 3.35Å; Y1224-L1227 PolarHBondContact O-N 2.91Å
1225Q35.8Very low31.1Very low105 Ų105104 Ų10449%0.49157%0.566SS.*Hα-helixtrans-66.8-42.3-175-113.758.7-8.800113.2E868 L1227E868-Q1225 PolarHBondContact OE1-NE2 3.31Å; E868-Q1225 PolarHBondContact OE2-NE2 3.28Å; Q1225-L1227 PolarHBondContact O-N 3.44Å; Q1225-L1227 VanDerWaalsContact O-N 3.08Å
1226D32.5Very low31.4Very low100 Ų100100.9 Ų100.954%0.53554%0.539SS..Hα-helixtrans-67.6-3.2173.4-90.4-1.5000113.5
1227L37Very low31.7Very low54 Ų54100.2 Ų100.228%0.28353%0.531SS..Hα-helixtrans-110.1-23.5-167.9-157.768.2000114.4Y1224 Q1225 A1230 I1231Y1224-L1227 HydrophobicContact CD1-CD2 4.24Å; Y1224-L1227 HydrophobicContact CE1-CD2 4.25Å; Y1224-L1227 VanDerWaalsContact O-CB 3.31Å; Y1224-L1227 WeakPolarHBondContact O-CB 3.35Å; Y1224-L1227 PolarHBondContact O-N 2.91Å; Q1225-L1227 PolarHBondContact O-N 3.44Å; Q1225-L1227 VanDerWaalsContact O-N 3.08Å; L1227-A1230 VanDerWaalsContact O-CB 3.26Å; L1227-A1230 WeakPolarHBondContact O-CB 3.43Å; L1227-A1230 PolarHBondContact O-N 3.39Å; L1227-I1231 WeakPolarHBondContact O-CG1 3.35Å
1228Q33.8Very low31.8Very low133 Ų13393.7 Ų93.762%0.62152%0.52SS*.Hα-helixtrans-70.3-49.3-175.3-69.2-71.310.100112.8A1230 I1231Q1228-A1230 PolarHBondContact O-N 3.28Å; Q1228-I1231 PolarHBondContact O-N 3.36Å
1229D29.1Very low31.9Very low160 Ų16089.2 Ų89.286%0.85650%0.501SS*.THydrogen-bonded Turntrans-55.9-16.4171.8-78.513.1000113.2R1842D1229-R1842 PolarHBondContact O-NH2 2.93Å
1230A34.7Very low31.6Very low30 Ų3090 Ų9025%0.24851%0.509CS..THydrogen-bonded Turntrans-83.5-17.3-173.400000114.3L1227 Q1228 S1232 R1842L1227-A1230 VanDerWaalsContact O-CB 3.26Å; L1227-A1230 WeakPolarHBondContact O-CB 3.43Å; L1227-A1230 PolarHBondContact O-N 3.39Å; Q1228-A1230 PolarHBondContact O-N 3.28Å; A1230-S1232 PolarHBondContact O-N 3.44Å; A1230-R1842 VanDerWaalsContact CA-NH2 3.34Å; A1230-R1842 PolarHBondContact O-NE 2.81Å; A1230-R1842 VanDerWaalsContact O-NE 3.16Å; A1230-R1842 PolarHBondContact O-NH2 3.04Å
1231I25.7Very low31.3Very low111 Ų11192 Ų9257%0.56953%0.525SS*.  trans-104.883-164.6-50.4176.2000113.2L1227 Q1228 L1233L1227-I1231 WeakPolarHBondContact O-CG1 3.35Å; Q1228-I1231 PolarHBondContact O-N 3.36Å; I1231-L1233 HydrophobicContact CG2-CG 4.48Å
1232S28.7Very low31.1Very low62 Ų6290.8 Ų90.843%0.43453%0.533SS..  trans-129.895.4157.2-176.70000110.1A1230 N1234 S1235A1230-S1232 PolarHBondContact O-N 3.44Å; S1232-N1234 PolarHBondContact O-N 3.32Å; S1232-N1234 VanDerWaalsContact O-N 3.13Å; S1232-S1235 WeakPolarHBondContact O-CB 3.47Å; S1232-S1235 PolarHBondContact O-N 3.15Å; S1232-S1235 PolarHBondContact O-OG 3.03Å
1233L30.2Very low30.6Very low134 Ų13490.3 Ų90.370%0.70253%0.534SS*.G310 helixtrans-64.8-16-170.2-69.7168.6000114.1I1231 S1235I1231-L1233 HydrophobicContact CG2-CG 4.48Å; L1233-S1235 PolarHBondContact O-N 3.47Å; L1233-S1235 VanDerWaalsContact O-N 3.16Å
1234N31.3Very low30.3Very low138 Ų13890.5 Ų90.574%0.73854%0.544SS*.G310 helixtrans-69-8.7177.3-63.5-8.9000113.4S1232 F1236S1232-N1234 PolarHBondContact O-N 3.32Å; S1232-N1234 VanDerWaalsContact O-N 3.13Å; N1234-F1236 VanDerWaalsContact C-N 3.34Å; N1234-F1236 PolarHBondContact O-N 3.47Å
1235S30.7Very low29.8Very low35 Ų3591.3 Ų91.325%0.24555%0.552CS.*G310 helixtrans-81.80.9-171-50.40000115.9S1232 L1233 S1642S1232-S1235 WeakPolarHBondContact O-CB 3.47Å; S1232-S1235 PolarHBondContact O-N 3.15Å; S1232-S1235 PolarHBondContact O-OG 3.03Å; L1233-S1235 PolarHBondContact O-N 3.47Å; L1233-S1235 VanDerWaalsContact O-N 3.16Å; S1235-S1642 PolarHBondContact O-OG 3.04Å
1236F31.1Very low29.3Very low52 Ų5293.6 Ų93.623%0.22857%0.567CS.*G310 helixtrans-102.1-4.2-169.9-84.4-78.4000115.8N1234 R1842 T1843 M1865N1234-F1236 VanDerWaalsContact C-N 3.34Å; N1234-F1236 PolarHBondContact O-N 3.47Å; F1236-R1842 HydrophobicContact CZ-CB 4.34Å; F1236-T1843 WeakPolarHBondContact CE1-OG1 3.48Å; F1236-T1843 HydrophobicContact CZ-CG2 4.36Å; F1236-T1843 WeakPolarHBondContact CZ-OG1 3.33Å; F1236-M1865 HydrophobicContact CB-CE 4.23Å; F1236-M1865 HydrophobicContact CD1-CE 4.43Å; F1236-M1865 HydrophobicContact CD2-CE 4.22Å; F1236-M1865 HydrophobicContact CG-CE 4.03Å
1237T35Very low29.3Very low88 Ų8894.1 Ų94.154%0.5458%0.576SS.*  trans-130.126.7-176.262.30000114.5G1239T1237-G1239 VanDerWaalsContact C-N 3.26Å; T1237-G1239 PolarHBondContact O-N 3.49Å
1238S27.3Very low28.7Very low87 Ų8796.5 Ų96.561%0.60860%0.597SS**THydrogen-bonded Turntrans-83.861.1176.6-53.80000112
1239G27.8Very low28.3Very low42 Ų4297.3 Ų97.343%0.43361%0.605SS.*THydrogen-bonded Turntrans-149.63.2-177.300000115.9T1237T1237-G1239 VanDerWaalsContact C-N 3.26Å; T1237-G1239 PolarHBondContact O-N 3.49Å
1240T25.2Very low28.2Very low91 Ų9197.4 Ų97.456%0.55860%0.599SS**  trans-135.781.2-177.161.70000112.1
1241S25.7Very low27.7Very low120 Ų120100.3 Ų100.384%0.83962%0.618SS**  trans-141.365.9173.759.50000111.6
1242A24.7Very low28Very low104 Ų104103.8 Ų103.886%0.8663%0.632SS**  trans-84.9110.6168.900000110
1243G24Very low27.8Very low57 Ų57109 Ų10959%0.58865%0.649SS**  trans92.4116.817100000115.6N972N972-G1243 PolarHBondContact ND2-O 3.16Å
1244S27.8Very low27.8Very low92 Ų92111 Ų11164%0.64365%0.653SS**  -155.1152.198.4-165.10000108.7
1245Q27.9Very low27.6Very low123 Ų123112.1 Ų112.158%0.57565%0.653SS**  trans-93.5141.1178.4-71.5175.12400112.4D975D975-Q1245 PolarHBondContact OD2-NE2 3Å
1246D25.7Very low27.3Very low152 Ų152120 Ų12081%0.81368%0.683SS**  trans46.9158.7136.6-72.1-21.3000125
1247P31.9Very low27.2Very low111 Ų111123.7 Ų123.772%0.72171%0.71SS**  trans-120.2165.9-164.942.1-29.5000115.5
1248S24.1Very low26.6Very low104 Ų104126.7 Ų126.773%0.72772%0.723SS**  trans-174.4129.5137.938.70000114.9
1249I26.4Very low26.7Very low151 Ų151127.3 Ų127.377%0.77473%0.727SS**  46.1125.2120.6-51.5166.2000116.7
1250H27Very low26.6Very low161 Ų161134.6 Ų134.675%0.74575%0.747SS**  -172.6145.767.8-150.7-74.1000114.1
1251S24.6Very low26.6Very low92 Ų92134 Ų13464%0.64375%0.747SS**  trans62.1158.9157.334.50000120.1
1252Q30.3Very low26.7Very low183 Ų183134.6 Ų134.686%0.85574%0.74SS**  cis-148.3170.11.8-132.4165.825.200113.3
1253Q25.9Very low26.9Very low172 Ų172135.4 Ų135.480%0.80473%0.73SS**  trans-76.5152.7179.5-54146.5-40.100113.4
1254K29.4Very low27.2Very low177 Ų177140.7 Ų140.777%0.7774%0.737SS**  -175.8125120.3-99.4172177.9178.50110.3
1255Q27.5Very low27Very low161 Ų161142.1 Ų142.175%0.75275%0.746SS**  61.6111.592.4-66.5178.9-15.200113
1256K24.3Very low26.9Very low199 Ų199141.6 Ų141.687%0.86576%0.755SS**  72.2102.873.7-94.2-166.3172.2-177.30114.3
1257T29.1Very low26.8Very low131 Ų131138.9 Ų138.980%0.80475%0.749SS**  trans-166.4131.713128.20000105.9
1258N23Very low26.6Very low151 Ų151141.6 Ų141.681%0.80775%0.752SS**  60.1134.265.7-61.6-1.6000111.2
1259S28Very low26.7Very low100 Ų100142.8 Ų142.870%0.69975%0.748SS**  cis-156.9149.527.362.10000111.9
1260K26.3Very low26.7Very low194 Ų194142.3 Ų142.384%0.84375%0.748SS**  69.2145.1108.7-74.8-166.5173-164.40117.7
1261S25Very low26.7Very low79 Ų79138.9 Ų138.955%0.55274%0.742SS**  cis-171.6-176.4-11.643.10000111.6
1262D29.1Very low26.7Very low132 Ų132140.1 Ų140.171%0.70675%0.751SS**  trans86.794.4149.1-50.1-36.7000121.1
1263D28.3Very low26.4Very low121 Ų121135.6 Ų135.665%0.64774%0.744SS**  100.1139.3106.3-96.119.6000125.1
1264K29.6Very low26.3Very low169 Ų169133.3 Ų133.374%0.73575%0.747SS**  trans73123.1155-69171.1179.890.30116.8
1265C22.9Very low26.3Very low121 Ų121129.6 Ų129.682%0.81875%0.75SS**  71.3139.168.7-75.30000113
1266S26Very low26.2Very low112 Ų112129.4 Ų129.478%0.78375%0.753SS**  cis-159.4172.13.738.20000112.5
1267S24.3Very low26.4Very low96 Ų96126.2 Ų126.267%0.67175%0.745SS**  trans-65.7160.3171.249.40000114.7
1268Q28Very low26.3Very low167 Ų167125.6 Ų125.678%0.7874%0.742SS**  178.4131.2106.7-87.9-174.4-43.200110.9
1269I26.3Very low26.3Very low129 Ų129125.8 Ų125.866%0.66274%0.738SS**  89.3153.879.9-61.1174.4000113.9
1270D26.4Very low26.1Very low142 Ų142131.2 Ų131.276%0.75974%0.743SS**  trans92.1140.7162.4-68.1-51.4000121.9
1271S26.4Very low26Very low89 Ų89127.5 Ų127.562%0.62274%0.741SS**  cis-172.4157.5-24.147.40000114.9
1272S24.3Very low26Very low118 Ų118134.2 Ų134.283%0.82576%0.756SS**  trans66.8161.5151.374.50000121.3
1273A25.4Very low25.8Very low87 Ų87133.3 Ų133.372%0.71976%0.755SS**  cis-171.6172-30.500000112.5
1274S24Very low25.7Very low125 Ų125136.2 Ų136.287%0.87476%0.762SS**  trans76.6150.2167.984.10000118.3
1275A28.8Very low25.7Very low99 Ų99137.2 Ų137.282%0.81877%0.769SS**  cis-152.7-172.6-5.300000112.9
1276L26Very low25.9Very low156 Ų156135.5 Ų135.582%0.81776%0.758SS**  trans-61.7166.7-175.8-62.5154.9000114.9
1277D26.4Very low26Very low132 Ų132138.3 Ų138.371%0.70676%0.758SS**  cis-166.6167.641.2-130.3-31000117.3
1278T28Very low26.3Very low119 Ų119145.3 Ų145.373%0.7377%0.77SS**  trans28.2131.8162.850.10000127.7
1279E22.3Very low26.6Very low155 Ų155143.1 Ų143.172%0.72476%0.763SS**  trans61.1112.8136.8-72.9-92.1103.100124.9
1280R25.3Very low26.6Very low214 Ų214148.8 Ų148.881%0.80878%0.776SS**  trans44.6106.2139.3-63.2179.6174.6-148.2-6.4121.9
1281S23.8Very low26.7Very low116 Ų116145.5 Ų145.581%0.81177%0.769SS**  174.8144.8102.648.10000116.6
1282Y24.4Very low26.9Very low220 Ų220145.3 Ų145.386%0.86377%0.768SS**  trans25.3123.1157.3-73-98000124.1
1283V25.9Very low27.1Very low112 Ų112150.4 Ų150.468%0.67978%0.775SS**  trans75.595.5130175.20000120.3
1284K25.8Very low27.3Very low182 Ų182149.6 Ų149.679%0.79176%0.764SS**  174.9133.6113.8-97.2147.9-172165.60112.2
1285H29.7Very low27.5Very low191 Ų191151.8 Ų151.888%0.88476%0.758SS**  -175.4133.4111.9-105.2-73.5000112.1
1286S26.3Very low27.4Very low84 Ų84150.9 Ų150.959%0.58775%0.751SS**  trans-130167.1174.149.20000110.5
1287H28.2Very low27.6Very low172 Ų172153 Ų15380%0.79675%0.753SS**  trans85.387166.9-45.2-65.9000119.4
1288W30.4Very low27.8Very low243 Ų243151.1 Ų151.192%0.9274%0.736SS**  trans-153.8129.4141.1-122.255.2000107.3
1289L34Very low28Very low121 Ų121154.9 Ų154.963%0.63474%0.743SS**  cis-144.7142.3-14-100.9170000108.6A1291L1289-A1291 HydrophobicContact CD2-CB 4.45Å
1290R26.8Very low28.5Very low247 Ų247155 Ų15593%0.93274%0.737SS**  trans-128.358.9168.2-150.8-171.3-155.1-148.315111.8
1291A27.7Very low28.9Very low74 Ų74148.3 Ų148.361%0.61273%0.727SS**  trans-145.295.1-175.400000113.5L1289L1289-A1291 HydrophobicContact CD2-CB 4.45Å
1292S30.6Very low29.3Very low84 Ų84148.7 Ų148.759%0.58771%0.714SS**  trans-165.624.5155.7-90.80000116.7
1293F29Very low29.7Very low226 Ų226143.1 Ų143.199%0.99171%0.707SS**SBendtrans-122.837.4170.4-97.2-74.3000114.5
1294S29.1Very low29.7Very low69 Ų69143.9 Ų143.948%0.48371%0.707SS.*  trans-12233.4165.664.60000111.7K1336S1294-K1336 WeakPolarHBondContact O-CE 3.46Å; S1294-K1336 PolarHBondContact O-NZ 3.47Å; S1294-K1336 PolarHBondContact OG-NZ 2.85Å
1295K29.4Very low30Very low172 Ų172143.7 Ų143.775%0.74871%0.713SS**  trans-105.5-0.7-164.8-133.6169.3-174.7174.80116.1
1296A27.5Very low29.8Very low80 Ų80145.5 Ų145.566%0.66171%0.712SS**SBendtrans-134.3127.615400000106.3
1297F29Very low30.3Very low199 Ų199145.9 Ų145.987%0.87371%0.712SS**  cis-123.2135.426-67.3-107.1000113.8
1298R30.6Very low30.1Very low93 Ų93144 Ų14435%0.35171%0.708SS.*  trans-165132.9138.3-113-160.9-172.2-175.46.6112.9Q1335 Q1338 C1339R1298-Q1335 WeakPolarHBondContact CD-O 3.32Å; R1298-Q1335 PolarHBondContact NH1-O 2.82Å; R1298-Q1338 PolarHBondContact NH1-O 3.02Å; R1298-Q1338 PolarHBondContact NH2-O 3.28Å; R1298-C1339 HydrophobicContact CG-CB 4.31Å; R1298-C1339 VanDerWaalsContact CZ-CB 3.43Å; R1298-C1339 PolarHBondContact NE-SG 3.09Å
1299K32.6Very low29.9Very low198 Ų198138.3 Ų138.386%0.86170%0.696SS**  trans-118126.5145.8-73-179178.1178.70104.5
1300R33Very low29.6Very low159 Ų159137.4 Ų137.460%0.670%0.7SS**  67.5142.571.9-79.5-158.7-163.9148.412.4113.4A1332R1300-A1332 PolarHBondContact NE-O 3.04Å; R1300-A1332 VanDerWaalsContact NH2-CA 3.32Å; R1300-A1332 PolarHBondContact NH2-O 3.1Å
1301A32.7Very low29.5Very low72 Ų72134 Ų13460%0.59570%0.695SS**  cis-156.9172.3-8.200000109.9Q1335A1301-Q1335 VanDerWaalsContact CB-OE1 3.28Å
1302K31.9Very low29.6Very low125 Ų125138.3 Ų138.354%0.54371%0.706SS.*  cis-124.1-165.212.4-55.7164.6-179172.40108.5D1328 Q1335K1302-D1328 WeakPolarHBondContact CE-OD1 3.38Å; K1302-D1328 IonicContact NZ-OD1 2.73Å; K1302-D1328 PolarHBondContact NZ-OD1 3.36Å; K1302-D1328 IonicContact NZ-OD2 3.27Å; K1302-D1328 PolarHBondContact NZ-OD2 2.97Å; K1302-Q1335 PolarHBondContact O-NE2 3.35Å
1303S33.3Very low29.6Very low103 Ų103142 Ų14272%0.7272%0.717SS**  cis-163.7178.11.46.50000109.2
1304N27.2Very low29.7Very low128 Ų128138.8 Ų138.868%0.68471%0.708SS**  trans-127.6163.7169.2-872.5000110.6
1305I32.1Very low29.6Very low177 Ų177143 Ų14391%0.90873%0.725SS**  trans-169.6169.8138.1-100.8157.9000110.7
1306R25.5Very low29.5Very low230 Ų230138 Ų13887%0.86872%0.722SS**  trans-137.2-160.2-166.7-154.1-168178.2-173-0.3109.2
1307P35.7Very low29.5Very low91 Ų91139.5 Ų139.559%0.59173%0.728SS**  -99.9172.9-92.628.1-8.9000116.9
1308N25.1Very low29.5Very low132 Ų132135.1 Ų135.171%0.70672%0.722SS**  trans59.6155143.8-69.939.6000120
1309D26.6Very low29.6Very low125 Ų125136.6 Ų136.667%0.66874%0.741SS**  cis-160.2172.1-7-102.6-17.6000111.2
1310S26.8Very low29.4Very low102 Ų102132.4 Ų132.471%0.71373%0.732SS**  trans69.2151157.876.10000119.2
1311E25.3Very low29.4Very low176 Ų176131.2 Ų131.282%0.82274%0.738SS**  cis-161.5158.5-18.4-116.3161.1-151.900109.3
1312I29Very low29.1Very low164 Ų164135.6 Ų135.684%0.84175%0.75SS**SBendtrans-107.785.3174.8-59.2-179.1000110.8
1313L30.8Very low28.7Very low160 Ų160138 Ų13884%0.83876%0.764SS**SBend179.2166126.3-98156.4000110.4
1314M30.2Very low28.7Very low160 Ų160137.6 Ų137.679%0.78876%0.758SS**SBendtrans-63.8146.1-178.1-75.8-76.5-72.300112.6
1315N27.1Very low28.7Very low157 Ų157137.7 Ų137.784%0.8476%0.764SS**  trans72.873.6169-54.3-18000116.4
1316G28.7Very low28.6Very low66 Ų66135.1 Ų135.168%0.6876%0.756SS**SBendtrans-144.815.9174.700000116.5
1317S27.4Very low28.9Very low113 Ų113132 Ų13279%0.7975%0.751SS**  trans69.587.8172.9-55.50000119.3
1318S28.4Very low28.6Very low107 Ų107132.3 Ų132.375%0.74875%0.748SS**  trans64.8139.9140.956.90000122.2
1319T31.9Very low28.8Very low123 Ų123134.6 Ų134.676%0.75575%0.754SS**  cis-166.9120.5-1524.80000111.8
1320T28.6Very low29.2Very low111 Ų111135.2 Ų135.268%0.68176%0.762SS**  trans27.2124.9136.862.20000122.5
1321N32.5Very low29.7Very low133 Ų133137.2 Ų137.271%0.71177%0.77SS**  158.5124106.6-84.6-45.2000118.6
1322L28Very low30.1Very low164 Ų164131.2 Ų131.286%0.85975%0.751SS**  63.1147.5128-59.7171.9000125.8
1323Q22.9Very low30.9Very low176 Ų176129.5 Ų129.582%0.82274%0.743SS**  trans-82.5-176.1164.2-90.1-166.77.100112.3
1324P33.5Very low31.5Very low94 Ų94127.6 Ų127.661%0.6173%0.734SS**  cis-135.2-178.2-42.336.1-18.4000112.4
1325T26.5Very low32.3Very low130 Ų130122.6 Ų122.680%0.79871%0.709SS**  154.1138.513045.30000117.4
1326V29.1Very low33.3Very low123 Ų123118.5 Ų118.575%0.74568%0.684SS**  trans75.3137.4140.11720000123.4
1327H32.9Very low34.4Very low164 Ų164120.8 Ų120.876%0.75968%0.68SS**  trans63.386.9163.5-74.1-41000124.4
1328D28.6Very low35.4Very low99 Ų99121 Ų12153%0.52967%0.668SS.*  51.2139.7114.5-83.3-65.3000126K1302K1302-D1328 WeakPolarHBondContact CE-OD1 3.38Å; K1302-D1328 IonicContact NZ-OD1 2.73Å; K1302-D1328 PolarHBondContact NZ-OD1 3.36Å; K1302-D1328 IonicContact NZ-OD2 3.27Å; K1302-D1328 PolarHBondContact NZ-OD2 2.97Å
1329Q29.8Very low36.4Very low179 Ų179117.8 Ų117.884%0.83665%0.645SS**  trans85.4155.6167.7-48.4-161.425.700118.7
1330V35.7Very low37.4Very low138 Ų138115 Ų11584%0.83662%0.624SS**  trans65.560.2172.8-154.80000118.4
1331T35.8Very low38.9Very low144 Ų144116.1 Ų116.188%0.88362%0.621SS**  trans-153.2138.4140.4-15.90000111.7
1332A34.3Very low40.2Very low51 Ų51115.6 Ų115.642%0.42161%0.614SS.*  trans-105.5-31.2-154.700000117.8R1300R1300-A1332 PolarHBondContact NE-O 3.04Å; R1300-A1332 VanDerWaalsContact NH2-CA 3.32Å; R1300-A1332 PolarHBondContact NH2-O 3.1Å
1333N45.3Very low42Very low127 Ų127113.3 Ų113.368%0.67960%0.603SS**SBendtrans-112.2-31-148.9-67.8-16.2000117.3Q1335 K1336N1333-Q1335 VanDerWaalsContact C-N 3.28Å; N1333-Q1335 PolarHBondContact O-N 3.16Å; N1333-Q1335 VanDerWaalsContact O-N 3.12Å; N1333-K1336 PolarHBondContact O-N 3.12Å; N1333-K1336 VanDerWaalsContact O-N 3.16Å
1334N43.4Very low43.9Very low120 Ų120109.9 Ų109.964%0.64259%0.59SS**THydrogen-bonded Turntrans-66.5-22.8-164.7-70-0.6000115.3K1336N1334-K1336 PolarHBondContact O-N 3.34Å
1335Q46.8Very low45.5Very low56 Ų56114.7 Ų114.726%0.26260%0.596SS.*THydrogen-bonded Turntrans-79.74.2178.6-68-173.2-60.900114.6R1298 A1301 K1302 N1333R1298-Q1335 WeakPolarHBondContact CD-O 3.32Å; R1298-Q1335 PolarHBondContact NH1-O 2.82Å; A1301-Q1335 VanDerWaalsContact CB-OE1 3.28Å; K1302-Q1335 PolarHBondContact O-NE2 3.35Å; N1333-Q1335 VanDerWaalsContact C-N 3.28Å; N1333-Q1335 PolarHBondContact O-N 3.16Å; N1333-Q1335 VanDerWaalsContact O-N 3.12Å
1336K49.2Very low47.7Very low71 Ų71113.7 Ų113.731%0.30959%0.585SS.*THydrogen-bonded Turntrans-81.1-40.5168.5-167.7175.7176.5-70.90112.1S1294 N1333 N1334 Q1338 C1339 E1340S1294-K1336 WeakPolarHBondContact O-CE 3.46Å; S1294-K1336 PolarHBondContact O-NZ 3.47Å; S1294-K1336 PolarHBondContact OG-NZ 2.85Å; N1333-K1336 PolarHBondContact O-N 3.12Å; N1333-K1336 VanDerWaalsContact O-N 3.16Å; N1334-K1336 PolarHBondContact O-N 3.34Å; K1336-Q1338 VanDerWaalsContact C-N 3.31Å; K1336-Q1338 PolarHBondContact O-N 2.85Å; K1336-C1339 WeakPolarHBondContact O-CA 3.28Å; K1336-C1339 WeakPolarHBondContact O-CB 3.5Å; K1336-C1339 PolarHBondContact O-N 2.97Å; K1336-E1340 IonicContact NZ-OE1 3.51Å; K1336-E1340 PolarHBondContact NZ-OE1 2.75Å; K1336-E1340 IonicContact NZ-OE2 2.63Å
1337L50.8Low49.9Very low114 Ų114114 Ų11460%0.59758%0.578SS**Hα-helixtrans-57.1-40.3-178.1-120.572.1000113.4C1339 E1340 Q1341L1337-C1339 PolarHBondContact O-N 2.92Å; L1337-C1339 VanDerWaalsContact O-N 3.1Å; L1337-E1340 PolarHBondContact O-N 3.4Å; L1337-E1340 VanDerWaalsContact O-N 3.08Å; L1337-Q1341 PolarHBondContact O-N 2.99Å; L1337-Q1341 VanDerWaalsContact O-N 3.11Å
1338Q49.4Very low51.6Low116 Ų116112.1 Ų112.154%0.54257%0.573SS.*Hα-helixtrans-72.73.5177.1-154.6-167.727.800113R1298 K1336 Q1342R1298-Q1338 PolarHBondContact NH1-O 3.02Å; R1298-Q1338 PolarHBondContact NH2-O 3.28Å; K1336-Q1338 VanDerWaalsContact C-N 3.31Å; K1336-Q1338 PolarHBondContact O-N 2.85Å; Q1338-Q1342 PolarHBondContact O-OE1 3Å
1339C49Very low53.9Low40 Ų40110.9 Ų110.927%0.2757%0.569SS.*Hα-helixtrans-93.1-42.5164.1-145.90000110.9R1298 K1336 L1337 Q1342 L1343R1298-C1339 HydrophobicContact CG-CB 4.31Å; R1298-C1339 VanDerWaalsContact CZ-CB 3.43Å; R1298-C1339 PolarHBondContact NE-SG 3.09Å; K1336-C1339 WeakPolarHBondContact O-CA 3.28Å; K1336-C1339 WeakPolarHBondContact O-CB 3.5Å; K1336-C1339 PolarHBondContact O-N 2.97Å; L1337-C1339 PolarHBondContact O-N 2.92Å; L1337-C1339 VanDerWaalsContact O-N 3.1Å; C1339-Q1342 PolarHBondContact O-N 2.95Å; C1339-Q1342 VanDerWaalsContact O-N 3.11Å; C1339-L1343 WeakPolarHBondContact O-CB 3.04Å; C1339-L1343 PolarHBondContact O-N 3.49Å
1340E54.2Low56Low66 Ų66106.2 Ų106.231%0.30855%0.552SS.*Hα-helixtrans-58.2-48.6176.1-79.6143.3160.800109.6K1336 L1337 Q1342 L1343 D1344K1336-E1340 IonicContact NZ-OE1 3.51Å; K1336-E1340 PolarHBondContact NZ-OE1 2.75Å; K1336-E1340 IonicContact NZ-OE2 2.63Å; L1337-E1340 PolarHBondContact O-N 3.4Å; L1337-E1340 VanDerWaalsContact O-N 3.08Å; E1340-Q1342 VanDerWaalsContact C-N 3.26Å; E1340-Q1342 PolarHBondContact O-N 3.37Å; E1340-Q1342 VanDerWaalsContact O-N 3.15Å; E1340-L1343 CarbonylContact O-C 3.59Å; E1340-L1343 WeakPolarHBondContact O-CA 3.41Å; E1340-L1343 VanDerWaalsContact O-CB 3.32Å; E1340-L1343 WeakPolarHBondContact O-CB 3.14Å; E1340-L1343 PolarHBondContact O-N 3.29Å; E1340-D1344 PolarHBondContact O-N 2.83Å; E1340-D1344 VanDerWaalsContact O-OD2 3.13Å
1341Q59.4Low57.6Low133 Ų133102.4 Ų102.462%0.62153%0.532SS*.Hα-helixtrans-62.3-25.1174.9-68.8-178.9-2400115.3L1337 R1345L1337-Q1341 PolarHBondContact O-N 2.99Å; L1337-Q1341 VanDerWaalsContact O-N 3.11Å; Q1341-R1345 PolarHBondContact O-N 2.8Å
1342Q59Low59.5Low122 Ų122104.2 Ų104.257%0.5752%0.523SS*.Hα-helixtrans-79.9-36171.5-76.6-176.6-41.800111.4Q1338 C1339 E1340 R1345 L1346Q1338-Q1342 PolarHBondContact O-OE1 3Å; C1339-Q1342 PolarHBondContact O-N 2.95Å; C1339-Q1342 VanDerWaalsContact O-N 3.11Å; E1340-Q1342 VanDerWaalsContact C-N 3.26Å; E1340-Q1342 PolarHBondContact O-N 3.37Å; E1340-Q1342 VanDerWaalsContact O-N 3.15Å; Q1342-R1345 PolarHBondContact O-N 2.91Å; Q1342-L1346 WeakPolarHBondContact O-CB 3.4Å; Q1342-L1346 PolarHBondContact O-N 3.17Å
1343L66.4Low61Low117 Ų117107.4 Ų107.461%0.61353%0.53SS*.Hα-helixtrans-65.6-40.2174.9-151.375.6000111C1339 E1340 L1346 H1347C1339-L1343 WeakPolarHBondContact O-CB 3.04Å; C1339-L1343 PolarHBondContact O-N 3.49Å; E1340-L1343 CarbonylContact O-C 3.59Å; E1340-L1343 WeakPolarHBondContact O-CA 3.41Å; E1340-L1343 VanDerWaalsContact O-CB 3.32Å; E1340-L1343 WeakPolarHBondContact O-CB 3.14Å; E1340-L1343 PolarHBondContact O-N 3.29Å; L1343-L1346 PolarHBondContact O-N 2.99Å; L1343-H1347 WeakPolarHBondContact O-CB 3.2Å; L1343-H1347 PolarHBondContact O-N 3.26Å
1344D63.6Low62.3Low103 Ų103110.1 Ų110.155%0.55153%0.531SS*.Hα-helixtrans-63.4-42.3174.7-62.5-34.5000111.2E1340 L1346 H1347 L1348E1340-D1344 PolarHBondContact O-N 2.83Å; E1340-D1344 VanDerWaalsContact O-OD2 3.13Å; D1344-L1346 VanDerWaalsContact C-N 3.33Å; D1344-L1346 PolarHBondContact O-N 2.93Å; D1344-H1347 PolarHBondContact O-N 2.84Å; D1344-L1348 WeakPolarHBondContact O-CB 3.18Å; D1344-L1348 PolarHBondContact O-N 3.25Å
1345R67.1Low63.6Low196 Ų196112 Ų11274%0.7453%0.529SS*.Hα-helixtrans-67.1-34.3175.7-132.5177.7-172.9-170.11.9112.2Q1341 Q1342 T1349Q1341-R1345 PolarHBondContact O-N 2.8Å; Q1342-R1345 PolarHBondContact O-N 2.91Å; R1345-T1349 WeakPolarHBondContact O-CB 3.13Å; R1345-T1349 PolarHBondContact O-N 3.11Å; R1345-T1349 PolarHBondContact O-OG1 3.42Å
1346L72Confident65.2Low108 Ų108114.3 Ų114.357%0.56554%0.54SS*.Hα-helixtrans-71.6-42.4174.8-160.5157.7000110.7Q1342 L1343 D1344 T1349 V1350Q1342-L1346 WeakPolarHBondContact O-CB 3.4Å; Q1342-L1346 PolarHBondContact O-N 3.17Å; L1343-L1346 PolarHBondContact O-N 2.99Å; D1344-L1346 VanDerWaalsContact C-N 3.33Å; D1344-L1346 PolarHBondContact O-N 2.93Å; L1346-T1349 WeakPolarHBondContact O-CB 3.45Å; L1346-T1349 PolarHBondContact O-N 2.86Å; L1346-V1350 HydrophobicContact CD2-CG2 3.93Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.41Å; L1346-V1350 PolarHBondContact O-N 3.23Å
1347H74.3Confident66.2Low130 Ų130116.9 Ų116.960%0.60255%0.554SS**Hα-helixtrans-57.7-49.3172-176-89000111.1L1343 D1344 T1349 V1350 S1351L1343-H1347 WeakPolarHBondContact O-CB 3.2Å; L1343-H1347 PolarHBondContact O-N 3.26Å; D1344-H1347 PolarHBondContact O-N 2.84Å; H1347-T1349 VanDerWaalsContact C-N 3.27Å; H1347-T1349 PolarHBondContact O-N 3.32Å; H1347-V1350 PolarHBondContact O-N 3Å; H1347-S1351 PolarHBondContact O-N 3.25Å; H1347-S1351 PolarHBondContact O-OG 3.23Å; H1347-S1351 VanDerWaalsContact O-OG 3.09Å
1348L69.5Low67.1Low124 Ų124115.6 Ų115.665%0.64955%0.548SS*.Hα-helixtrans-59.7-36.4176-161.675.9000112.4D1344 R1352D1344-L1348 WeakPolarHBondContact O-CB 3.18Å; D1344-L1348 PolarHBondContact O-N 3.25Å; L1348-R1352 WeakPolarHBondContact O-CB 3.24Å; L1348-R1352 PolarHBondContact O-N 2.92Å
1349T75.9Confident68.5Low73 Ų73113.4 Ų113.445%0.44854%0.54SS..Hα-helixtrans-69.5-42.8175.8-56.50000111.5R1345 L1346 H1347 R1352 M1353R1345-T1349 WeakPolarHBondContact O-CB 3.13Å; R1345-T1349 PolarHBondContact O-N 3.11Å; R1345-T1349 PolarHBondContact O-OG1 3.42Å; L1346-T1349 WeakPolarHBondContact O-CB 3.45Å; L1346-T1349 PolarHBondContact O-N 2.86Å; H1347-T1349 VanDerWaalsContact C-N 3.27Å; H1347-T1349 PolarHBondContact O-N 3.32Å; T1349-R1352 PolarHBondContact O-N 3.47Å; T1349-M1353 HydrophobicContact CG2-CE 4.45Å; T1349-M1353 WeakPolarHBondContact O-CG 3.39Å; T1349-M1353 PolarHBondContact O-N 3Å
1350V75.6Confident69.5Low81 Ų81115.4 Ų115.449%0.49155%0.548SS..Hα-helixtrans-65.9-39.8175.4170.30000111.3L1346 H1347 R1352 M1353 R1354L1346-V1350 HydrophobicContact CD2-CG2 3.93Å; L1346-V1350 WeakPolarHBondContact O-CG2 3.41Å; L1346-V1350 PolarHBondContact O-N 3.23Å; H1347-V1350 PolarHBondContact O-N 3Å; V1350-R1352 VanDerWaalsContact C-N 3.32Å; V1350-R1352 PolarHBondContact O-N 3.18Å; V1350-M1353 PolarHBondContact O-N 3.34Å; V1350-R1354 WeakPolarHBondContact O-CB 3.22Å; V1350-R1354 PolarHBondContact O-N 3.36Å
1351S69Low70.4Confident58 Ų58118.9 Ų118.941%0.40656%0.564SS.*Hα-helixtrans-59.4-42171.1-610000111.8H1347 R1354 W1355H1347-S1351 PolarHBondContact O-N 3.25Å; H1347-S1351 PolarHBondContact O-OG 3.23Å; H1347-S1351 VanDerWaalsContact O-OG 3.09Å; S1351-R1354 PolarHBondContact O-N 3.13Å; S1351-W1355 PolarHBondContact O-N 2.88Å
1352R75Confident70.7Confident182 Ų182115.4 Ų115.469%0.68756%0.558SS**Hα-helixtrans-69.3-37.6177.4-167.5174.1-175.5174.61.9112.8L1348 T1349 V1350 Q1356L1348-R1352 WeakPolarHBondContact O-CB 3.24Å; L1348-R1352 PolarHBondContact O-N 2.92Å; T1349-R1352 PolarHBondContact O-N 3.47Å; V1350-R1352 VanDerWaalsContact C-N 3.32Å; V1350-R1352 PolarHBondContact O-N 3.18Å; R1352-Q1356 WeakPolarHBondContact O-CG 3.22Å; R1352-Q1356 PolarHBondContact O-N 3.24Å
1353M65.9Low71.5Confident119 Ų119117.2 Ų117.259%0.58656%0.559SS**Hα-helixtrans-65.1-38.8172.2-75.8179.7165.900112T1349 V1350 Q1356 M1357T1349-M1353 HydrophobicContact CG2-CE 4.45Å; T1349-M1353 WeakPolarHBondContact O-CG 3.39Å; T1349-M1353 PolarHBondContact O-N 3Å; V1350-M1353 PolarHBondContact O-N 3.34Å; M1353-Q1356 PolarHBondContact O-N 3.21Å; M1353-M1357 PolarHBondContact O-N 3.25Å
1354R72Confident71.3Confident183 Ų183116.1 Ų116.169%0.69155%0.554SS**Hα-helixtrans-61.6-51.5174.7-161.4177-153.3174.56.5110.9V1350 S1351 Q1356 M1357 D1358V1350-R1354 WeakPolarHBondContact O-CB 3.22Å; V1350-R1354 PolarHBondContact O-N 3.36Å; S1351-R1354 PolarHBondContact O-N 3.13Å; R1354-Q1356 VanDerWaalsContact C-N 3.26Å; R1354-Q1356 PolarHBondContact O-N 3.06Å; R1354-M1357 WeakPolarHBondContact O-CA 3.42Å; R1354-M1357 WeakPolarHBondContact O-CB 3.45Å; R1354-M1357 PolarHBondContact O-N 2.83Å; R1354-D1358 PolarHBondContact O-N 3.33Å
1355W71.6Confident71.7Confident161 Ų161117.3 Ų117.361%0.6155%0.554SS**Hα-helixtrans-56.5-36.8175.3-177.185.7000113.1S1351 L1359S1351-W1355 PolarHBondContact O-N 2.88Å; W1355-L1359 HydrophobicContact CH2-CD2 4.02Å; W1355-L1359 HydrophobicContact CZ3-CD2 4.04Å; W1355-L1359 VanDerWaalsContact O-CB 3.28Å; W1355-L1359 WeakPolarHBondContact O-CB 3.34Å; W1355-L1359 PolarHBondContact O-N 2.79Å
1356Q80.5Confident71.8Confident104 Ų104114.8 Ų114.849%0.48655%0.549SS..Hα-helixtrans-70.8-32.5173.5-74.8-172.2-69.800113.5R1352 M1353 R1354 L1360R1352-Q1356 WeakPolarHBondContact O-CG 3.22Å; R1352-Q1356 PolarHBondContact O-N 3.24Å; M1353-Q1356 PolarHBondContact O-N 3.21Å; R1354-Q1356 VanDerWaalsContact C-N 3.26Å; R1354-Q1356 PolarHBondContact O-N 3.06Å; Q1356-L1360 WeakPolarHBondContact O-CB 3.14Å; Q1356-L1360 VanDerWaalsContact O-CG 3.27Å; Q1356-L1360 WeakPolarHBondContact O-CG 3.03Å; Q1356-L1360 PolarHBondContact O-N 3.07Å
1357M70.5Confident71.6Confident124 Ų124114.2 Ų114.261%0.61155%0.546SS*.Hα-helixtrans-70-45172.2-84.4-68.1149.200111.7M1353 R1354 L1359 L1360 E1361M1353-M1357 PolarHBondContact O-N 3.25Å; R1354-M1357 WeakPolarHBondContact O-CA 3.42Å; R1354-M1357 WeakPolarHBondContact O-CB 3.45Å; R1354-M1357 PolarHBondContact O-N 2.83Å; M1357-L1359 PolarHBondContact O-N 3.33Å; M1357-L1360 HydrophobicContact CE-CD1 3.98Å; M1357-L1360 CarbonylContact O-C 3.55Å; M1357-L1360 PolarHBondContact O-N 3Å; M1357-L1360 HydrophobicContact SD-CD1 4.43Å; M1357-E1361 WeakPolarHBondContact O-CB 3.32Å; M1357-E1361 PolarHBondContact O-N 3.27Å
1358D69.1Low70.8Confident88 Ų88114 Ų11447%0.47155%0.545SS..Hα-helixtrans-58.5-39.6175.9-52.9-31.4000110.6R1354 A1362R1354-D1358 PolarHBondContact O-N 3.33Å; D1358-A1362 WeakPolarHBondContact O-CB 3.44Å; D1358-A1362 PolarHBondContact O-N 3Å
1359L79.2Confident70.2Confident70 Ų70111.5 Ų111.537%0.36653%0.53SS..Hα-helixtrans-68.7-35174.5-175.665.2000113.5W1355 M1357 R1363W1355-L1359 HydrophobicContact CH2-CD2 4.02Å; W1355-L1359 HydrophobicContact CZ3-CD2 4.04Å; W1355-L1359 VanDerWaalsContact O-CB 3.28Å; W1355-L1359 WeakPolarHBondContact O-CB 3.34Å; W1355-L1359 PolarHBondContact O-N 2.79Å; M1357-L1359 PolarHBondContact O-N 3.33Å; L1359-R1363 WeakPolarHBondContact O-CG 3.27Å; L1359-R1363 PolarHBondContact O-N 2.93Å; L1359-R1363 VanDerWaalsContact O-N 3.1Å
1360L69Low69.8Low82 Ų82112.2 Ų112.243%0.42953%0.53SS..Hα-helixtrans-73.3-38.8175.1-79.1167.5000111.7Q1356 M1357 R1363 N1364Q1356-L1360 WeakPolarHBondContact O-CB 3.14Å; Q1356-L1360 VanDerWaalsContact O-CG 3.27Å; Q1356-L1360 WeakPolarHBondContact O-CG 3.03Å; Q1356-L1360 PolarHBondContact O-N 3.07Å; M1357-L1360 HydrophobicContact CE-CD1 3.98Å; M1357-L1360 CarbonylContact O-C 3.55Å; M1357-L1360 PolarHBondContact O-N 3Å; M1357-L1360 HydrophobicContact SD-CD1 4.43Å; L1360-R1363 CarbonylContact O-C 3.56Å; L1360-R1363 PolarHBondContact O-N 3.4Å; L1360-N1364 WeakPolarHBondContact O-CB 3.48Å; L1360-N1364 PolarHBondContact O-N 3.31Å
1361E74.2Confident68.9Low138 Ų138114.2 Ų114.265%0.64554%0.537SS*.Hα-helixtrans-67-41.3176-170.4162.9-140.600111.1M1357 R1363 N1364 K1365M1357-E1361 WeakPolarHBondContact O-CB 3.32Å; M1357-E1361 PolarHBondContact O-N 3.27Å; E1361-R1363 VanDerWaalsContact C-N 3.32Å; E1361-R1363 PolarHBondContact O-N 2.94Å; E1361-N1364 PolarHBondContact O-N 3.32Å; E1361-K1365 WeakPolarHBondContact O-CB 3.29Å; E1361-K1365 PolarHBondContact O-N 2.93Å
1362A65.8Low67.9Low60 Ų60117 Ų11750%0.49655%0.547SS..Hα-helixtrans-59.7-39.2169.800000112.7D1358 K1366D1358-A1362 WeakPolarHBondContact O-CB 3.44Å; D1358-A1362 PolarHBondContact O-N 3Å; A1362-K1366 WeakPolarHBondContact O-CB 3.31Å; A1362-K1366 PolarHBondContact O-N 3.31Å
1363R76.1Confident66.8Low160 Ų160115.4 Ų115.460%0.60455%0.545SS*.Hα-helixtrans-69.6-38.9174.2-78.5178.7176.2-163.7-1.2112.8L1359 L1360 E1361 K1366 L1367L1359-R1363 WeakPolarHBondContact O-CG 3.27Å; L1359-R1363 PolarHBondContact O-N 2.93Å; L1359-R1363 VanDerWaalsContact O-N 3.1Å; L1360-R1363 CarbonylContact O-C 3.56Å; L1360-R1363 PolarHBondContact O-N 3.4Å; E1361-R1363 VanDerWaalsContact C-N 3.32Å; E1361-R1363 PolarHBondContact O-N 2.94Å; R1363-K1366 PolarHBondContact O-N 3.31Å; R1363-L1367 WeakPolarHBondContact O-CB 3.27Å; R1363-L1367 WeakPolarHBondContact O-CG 3.48Å; R1363-L1367 PolarHBondContact O-N 2.82Å
1364N62.2Low65.9Low94 Ų94117.9 Ų117.950%0.50355%0.549SS..Hα-helixtrans-64.1-41.5174.8-75.6-18.7000111.3L1360 E1361 L1367 Q1368L1360-N1364 WeakPolarHBondContact O-CB 3.48Å; L1360-N1364 PolarHBondContact O-N 3.31Å; E1361-N1364 PolarHBondContact O-N 3.32Å; N1364-L1367 PolarHBondContact O-N 2.86Å; N1364-Q1368 WeakPolarHBondContact O-CG 3.23Å; N1364-Q1368 PolarHBondContact O-N 3.12Å
1365K72.2Confident64.5Low128 Ų128111.3 Ų111.356%0.55753%0.527SS*.Hα-helixtrans-63.8-40.7173.8-169.3163.4-175.31650112E1361 Q1368 E1369E1361-K1365 WeakPolarHBondContact O-CB 3.29Å; E1361-K1365 PolarHBondContact O-N 2.93Å; K1365-Q1368 PolarHBondContact O-N 3.09Å; K1365-E1369 PolarHBondContact O-N 2.89Å
1366K68.8Low63Low144 Ų144107.8 Ų107.863%0.62653%0.525SS*.Hα-helixtrans-67.8-33174.5-164.2164.7-173.5168.20112.9A1362 R1363 I1370A1362-K1366 WeakPolarHBondContact O-CB 3.31Å; A1362-K1366 PolarHBondContact O-N 3.31Å; R1363-K1366 PolarHBondContact O-N 3.31Å; K1366-I1370 HydrophobicContact CG-CD1 4.4Å; K1366-I1370 WeakPolarHBondContact O-CD1 3.48Å; K1366-I1370 VanDerWaalsContact O-CG1 3.25Å; K1366-I1370 WeakPolarHBondContact O-CG1 3.41Å; K1366-I1370 PolarHBondContact O-N 2.97Å
1367L66.5Low60.8Low95 Ų95105.5 Ų105.550%0.49752%0.516SS..Hα-helixtrans-67.5-42.6170.5-82.1165.8000111.8R1363 N1364 E1369 I1370 I1371R1363-L1367 WeakPolarHBondContact O-CB 3.27Å; R1363-L1367 WeakPolarHBondContact O-CG 3.48Å; R1363-L1367 PolarHBondContact O-N 2.82Å; N1364-L1367 PolarHBondContact O-N 2.86Å; L1367-E1369 VanDerWaalsContact C-N 3.35Å; L1367-E1369 PolarHBondContact O-N 2.86Å; L1367-I1370 PolarHBondContact O-N 2.92Å; L1367-I1370 VanDerWaalsContact O-N 3.13Å; L1367-I1371 VanDerWaalsContact O-CG1 3.28Å; L1367-I1371 WeakPolarHBondContact O-CG1 3.49Å; L1367-I1371 PolarHBondContact O-N 2.99Å
1368Q58.8Low59.2Low125 Ų125102.4 Ų102.458%0.58450%0.5SS*.Hα-helixtrans-60.3-43173.8-74.8175.1-13.700111.6N1364 K1365 I1370 I1371 L1372N1364-Q1368 WeakPolarHBondContact O-CG 3.23Å; N1364-Q1368 PolarHBondContact O-N 3.12Å; K1365-Q1368 PolarHBondContact O-N 3.09Å; Q1368-I1370 VanDerWaalsContact C-N 3.32Å; Q1368-I1370 PolarHBondContact O-N 2.72Å; Q1368-I1371 PolarHBondContact O-N 3.05Å; Q1368-L1372 WeakPolarHBondContact O-CB 3.47Å; Q1368-L1372 VanDerWaalsContact O-CG 3.27Å; Q1368-L1372 WeakPolarHBondContact O-CG 3.3Å; Q1368-L1372 PolarHBondContact O-N 2.82Å
1369E55.9Low57.7Low72 Ų72104 Ų10434%0.33651%0.508SS..Hα-helixtrans-61.8-36.1172.5-78.4-168.1-165.600113.6K1365 L1367 K1373K1365-E1369 PolarHBondContact O-N 2.89Å; L1367-E1369 VanDerWaalsContact C-N 3.35Å; L1367-E1369 PolarHBondContact O-N 2.86Å; E1369-K1373 WeakPolarHBondContact O-CB 3.4Å; E1369-K1373 VanDerWaalsContact O-CD 3.29Å; E1369-K1373 WeakPolarHBondContact O-CD 3.16Å; E1369-K1373 WeakPolarHBondContact O-CG 3.39Å; E1369-K1373 PolarHBondContact O-N 2.75Å; E1369-K1373 VanDerWaalsContact O-N 3.14Å; E1369-K1373 IonicContact OE2-NZ 2.95Å; E1369-K1373 PolarHBondContact OE2-NZ 3.36Å; E1369-K1373 VanDerWaalsContact OE2-NZ 3.14Å
1370I67.5Low55.8Low89 Ų89107 Ų10746%0.45652%0.524SS..Hα-helixtrans-72-40.4177.6-70.8164.3000110.7K1366 L1367 Q1368 L1372 K1373 Y1374K1366-I1370 HydrophobicContact CG-CD1 4.4Å; K1366-I1370 WeakPolarHBondContact O-CD1 3.48Å; K1366-I1370 VanDerWaalsContact O-CG1 3.25Å; K1366-I1370 WeakPolarHBondContact O-CG1 3.41Å; K1366-I1370 PolarHBondContact O-N 2.97Å; L1367-I1370 PolarHBondContact O-N 2.92Å; L1367-I1370 VanDerWaalsContact O-N 3.13Å; Q1368-I1370 VanDerWaalsContact C-N 3.32Å; Q1368-I1370 PolarHBondContact O-N 2.72Å; I1370-L1372 VanDerWaalsContact C-N 3.35Å; I1370-L1372 PolarHBondContact O-N 2.75Å; I1370-K1373 CarbonylContact O-C 3.58Å; I1370-K1373 PolarHBondContact O-N 3.05Å; I1370-Y1374 PolarHBondContact O-N 3.14Å; I1370-Y1374 VanDerWaalsContact O-N 3.12Å
1371I56.4Low54Low122 Ų122107 Ų10763%0.62652%0.518SS*.Hα-helixtrans-61.2-43.9174.3-69.5163000110.4L1367 Q1368 K1373 Y1374L1367-I1371 VanDerWaalsContact O-CG1 3.28Å; L1367-I1371 WeakPolarHBondContact O-CG1 3.49Å; L1367-I1371 PolarHBondContact O-N 2.99Å; Q1368-I1371 PolarHBondContact O-N 3.05Å; I1371-K1373 PolarHBondContact O-N 2.99Å; I1371-Y1374 PolarHBondContact O-N 2.76Å
1372L49.5Very low52.1Low118 Ų118104.4 Ų104.462%0.61851%0.509SS*.THydrogen-bonded Turntrans-68.9-12174.4-69.5168.6000114Q1368 I1370Q1368-L1372 WeakPolarHBondContact O-CB 3.47Å; Q1368-L1372 VanDerWaalsContact O-CG 3.27Å; Q1368-L1372 WeakPolarHBondContact O-CG 3.3Å; Q1368-L1372 PolarHBondContact O-N 2.82Å; I1370-L1372 VanDerWaalsContact C-N 3.35Å; I1370-L1372 PolarHBondContact O-N 2.75Å
1373K50.5Low50.6Low148 Ų148108.3 Ų108.364%0.64352%0.517SS*.THydrogen-bonded Turntrans-101.3-7.7176.3-76.1165.9-175.8160.70113.7E1369 I1370 I1371E1369-K1373 WeakPolarHBondContact O-CB 3.4Å; E1369-K1373 VanDerWaalsContact O-CD 3.29Å; E1369-K1373 WeakPolarHBondContact O-CD 3.16Å; E1369-K1373 WeakPolarHBondContact O-CG 3.39Å; E1369-K1373 PolarHBondContact O-N 2.75Å; E1369-K1373 VanDerWaalsContact O-N 3.14Å; E1369-K1373 IonicContact OE2-NZ 2.95Å; E1369-K1373 PolarHBondContact OE2-NZ 3.36Å; E1369-K1373 VanDerWaalsContact OE2-NZ 3.14Å; I1370-K1373 CarbonylContact O-C 3.58Å; I1370-K1373 PolarHBondContact O-N 3.05Å; I1371-K1373 PolarHBondContact O-N 2.99Å
1374Y48Very low48.2Very low170 Ų170104.7 Ų104.767%0.66751%0.509SS*.SBendtrans-104.122.5-175.8-131.2-86.7000114.5I1370 I1371I1370-Y1374 PolarHBondContact O-N 3.14Å; I1370-Y1374 VanDerWaalsContact O-N 3.12Å; I1371-Y1374 PolarHBondContact O-N 2.76Å
1375N43.3Very low46.6Very low46 Ų46108.4 Ų108.425%0.24652%0.517CS..  trans-151.3104.7174.8-130.4-7.2000107.8S1993 H1994 Y1995N1375-S1993 PolarHBondContact OD1-OG 3.13Å; N1375-H1994 PolarHBondContact OD1-N 2.74Å; N1375-Y1995 VanDerWaalsContact C-CD1 3.42Å; N1375-Y1995 HydrophobicContact CB-CD1 3.6Å; N1375-Y1995 HydrophobicContact CB-CD2 4.14Å; N1375-Y1995 HydrophobicContact CB-CE1 3.86Å; N1375-Y1995 HydrophobicContact CB-CE2 4.36Å; N1375-Y1995 HydrophobicContact CB-CG 3.78Å; N1375-Y1995 WeakPolarHBondContact ND2-CD2 3.06Å; N1375-Y1995 WeakPolarHBondContact O-CD1 3.17Å; N1375-Y1995 WeakPolarHBondContact O-CE1 2.52Å; N1375-Y1995 WeakPolarHBondContact OD1-CB 2.83Å
1376P40.1Very low44.5Very low86 Ų86108.1 Ų108.156%0.55853%0.526SS*.  trans-95.5-18.6-16630.7-29000116.2
1377D32.5Very low42.6Very low56 Ų56107.3 Ų107.330%0.29953%0.533SS..SBendtrans-103.416.5-158-56.9-60.9000118.1R1381 H1994 Y1995 H1996D1377-R1381 WeakPolarHBondContact O-CG 2.93Å; D1377-H1994 IonicContact OD2-CE1 3.58Å; D1377-H1994 PolarHBondContact OD2-CE1 3.06Å; D1377-H1994 IonicContact OD2-ND1 2.66Å; D1377-H1994 PolarHBondContact OD2-ND1 3.38Å; D1377-Y1995 CarbonylContact C-O 3.4Å; D1377-Y1995 VanDerWaalsContact CB-O 3.25Å; D1377-Y1995 WeakPolarHBondContact CB-O 3.2Å; D1377-H1996 WeakPolarHBondContact CB-ND1 3.42Å; D1377-H1996 PolarHBondContact O-ND1 2.79Å
1378E37.4Very low40.6Very low60 Ų60106.8 Ų106.828%0.2853%0.527SS..SBendtrans-119.5-25.1-179.7-159.7159.4-99.800114.8R1381 N1382 Y1995 H1996 Y1997E1378-R1381 PolarHBondContact O-N 3.24Å; E1378-N1382 PolarHBondContact O-N 3.33Å; E1378-Y1995 HydrophobicContact CB-CD1 3.31Å; E1378-Y1995 HydrophobicContact CB-CD2 3.58Å; E1378-Y1995 HydrophobicContact CB-CE1 3.69Å; E1378-Y1995 HydrophobicContact CB-CE2 3.94Å; E1378-Y1995 HydrophobicContact CB-CG 3.22Å; E1378-Y1995 HydrophobicContact CG-CD2 4.22Å; E1378-Y1995 HydrophobicContact CG-CG 4.28Å; E1378-Y1995 VanDerWaalsContact N-CD1 3.27Å; E1378-Y1995 WeakPolarHBondContact OE1-CA 3.49Å; E1378-Y1995 WeakPolarHBondContact OE2-CD2 3.16Å; E1378-Y1995 VanDerWaalsContact OE2-CE2 3.27Å; E1378-Y1995 WeakPolarHBondContact OE2-CE2 3.42Å; E1378-H1996 PolarHBondContact OE1-N 3.26Å; E1378-Y1997 HydrophobicContact CG-CD2 3.78Å
1379L38.7Very low39.1Very low122 Ų122108.4 Ų108.464%0.63954%0.539SS*.G310 helixtrans-63.8-48.1178-96.6164.3000112.2R1381 N1382L1379-R1381 PolarHBondContact O-N 3.08Å; L1379-N1382 PolarHBondContact O-N 3.47Å
1380L39.2Very low37.7Very low132 Ų132112.1 Ų112.169%0.69156%0.556SS**G310 helixtrans-62.4-12.6175-79.9169.2000114.3
1381R31.3Very low36Very low81 Ų81118.1 Ų118.131%0.30658%0.579SS.*G310 helixtrans-100.8-11.7-171.4-71.6-88.3-76.6-106.7-0.1110.2D1377 E1378 L1379 H1996 Y1997 P1998D1377-R1381 WeakPolarHBondContact O-CG 2.93Å; E1378-R1381 PolarHBondContact O-N 3.24Å; L1379-R1381 PolarHBondContact O-N 3.08Å; R1381-H1996 PolarHBondContact NH1-CD2 3.22Å; R1381-H1996 VanDerWaalsContact NH1-CD2 3.31Å; R1381-H1996 PolarHBondContact NH1-CE1 3.16Å; R1381-H1996 PolarHBondContact NH1-ND1 2.78Å; R1381-H1996 PolarHBondContact NH1-NE2 3.47Å; R1381-H1996 PolarHBondContact NH2-CD2 3.06Å; R1381-H1996 VanDerWaalsContact NH2-CG 3.32Å; R1381-Y1997 VanDerWaalsContact CZ-O 3.26Å; R1381-Y1997 VanDerWaalsContact NE-C 3.3Å; R1381-Y1997 PolarHBondContact NE-O 2.93Å; R1381-Y1997 PolarHBondContact NH2-O 3.08Å; R1381-Y1997 WeakPolarHBondContact O-CB 3.31Å; R1381-Y1997 WeakPolarHBondContact O-CD1 3.49Å; R1381-P1998 WeakPolarHBondContact O-CD 3.41Å; R1381-P1998 WeakPolarHBondContact O-CG 3.26Å
1382N33.7Very low35.2Very low85 Ų85118.8 Ų118.846%0.45558%0.577SS.*SBendtrans-87.8-11.2176.2-146.1-21.9000114E1378 L1379 L1384 Y1997E1378-N1382 PolarHBondContact O-N 3.33Å; L1379-N1382 PolarHBondContact O-N 3.47Å; N1382-L1384 VanDerWaalsContact C-N 3.33Å; N1382-L1384 PolarHBondContact O-N 3.13Å; N1382-Y1997 HydrophobicContact CB-CD1 4.29Å; N1382-Y1997 HydrophobicContact CB-CE1 4.18Å; N1382-Y1997 VanDerWaalsContact CG-CE1 3.45Å; N1382-Y1997 PolarHBondContact ND2-OH 2.82Å; N1382-Y1997 WeakPolarHBondContact OD1-CE1 3.42Å; N1382-Y1997 PolarHBondContact OD1-OH 3.19Å
1383E33.5Very low35Very low141 Ų141114.6 Ų114.666%0.65956%0.556SS**THydrogen-bonded Turntrans-81.83-168-59.4-168.9120.900116
1384L25.7Very low34.9Very low84 Ų84109.7 Ų109.744%0.4454%0.54SS..THydrogen-bonded Turntrans-1093.2-172.5-75.3171.4000116.2N1382 T1386 Y1999N1382-L1384 VanDerWaalsContact C-N 3.33Å; N1382-L1384 PolarHBondContact O-N 3.13Å; L1384-T1386 PolarHBondContact O-N 3.25Å; L1384-Y1999 HydrophobicContact CB-CD2 4.17Å; L1384-Y1999 HydrophobicContact CB-CE2 3.54Å; L1384-Y1999 HydrophobicContact CD1-CD2 4.47Å; L1384-Y1999 HydrophobicContact CD1-CE2 4.29Å; L1384-Y1999 HydrophobicContact CG-CE2 4.48Å
1385Y29.4Very low34.9Very low173 Ų173102.1 Ų102.168%0.67851%0.512SS*.  trans-80.687.6168.3-90.4-74.2000111.4V1387 P1998Y1385-V1387 VanDerWaalsContact C-N 3.31Å; Y1385-V1387 PolarHBondContact O-N 2.94Å; Y1385-P1998 HydrophobicContact CE2-CB 4.41Å
1386T27.7Very low35.2Very low121 Ų121101.9 Ų101.974%0.74251%0.508SS*.  trans-68.777.4-177.857.60000113.1L1384 K1388L1384-T1386 PolarHBondContact O-N 3.25Å; T1386-K1388 PolarHBondContact O-N 3.29Å
1387V29.2Very low35.7Very low127 Ų127100 Ų10077%0.7749%0.493SS*.  trans-64.8123.6157.7-178.80000107.4Y1385 L1389Y1385-V1387 VanDerWaalsContact C-N 3.31Å; Y1385-V1387 PolarHBondContact O-N 2.94Å; V1387-L1389 PolarHBondContact O-N 3.07Å
1388K25.3Very low36.8Very low84 Ų8497.6 Ų97.637%0.36548%0.48SS..  trans-63.8125.4177.5-58.4173.9-167.2159.70109.1N218 K219 T1386 E1390N218-K1388 PolarHBondContact O-NZ 3.16Å; K219-K1388 HydrophobicContact CG-CD 4.41Å; T1386-K1388 PolarHBondContact O-N 3.29Å; K1388-E1390 PolarHBondContact O-N 3.11Å; K1388-E1390 VanDerWaalsContact O-N 3.11Å
1389L27.4Very low37.7Very low160 Ų16094.9 Ų94.984%0.83847%0.468SS*.  trans-68.4105152.2-8675.6000107.4V1387V1387-L1389 PolarHBondContact O-N 3.07Å
1390E25.7Very low38.2Very low150 Ų15090.9 Ų90.970%0.70145%0.448SS*.  trans-64.8152.5149.5-61.7-171.2155.400108.2K1388 K1392K1388-E1390 PolarHBondContact O-N 3.11Å; K1388-E1390 VanDerWaalsContact O-N 3.11Å; E1390-K1392 PolarHBondContact O-N 2.86Å
1391K30.6Very low38.5Very low214 Ų21491.3 Ų91.393%0.9345%0.447SS*.SBendtrans-7463-163.5-64.6-175177.6-176.70114.2
1392K40.4Very low39.3Very low137 Ų13790.4 Ų90.460%0.59645%0.446SS*.PPolyproline II helixtrans-82.2128.9158.2-71.5-164172.6-166.60108.9E1390 S1394E1390-K1392 PolarHBondContact O-N 2.86Å; K1392-S1394 PolarHBondContact O-N 3.39Å
1393V46.1Very low39.8Very low30 Ų3089.2 Ų89.218%0.18244%0.436CS..PPolyproline II helixtrans-57.3128.9170.4176.60000107.8D1397 L1398 Y1480 N1483V1393-D1397 HydrophobicContact CG1-CB 3.81Å; V1393-D1397 WeakPolarHBondContact CG1-OD2 3.14Å; V1393-L1398 HydrophobicContact CG1-CD1 4Å; V1393-Y1480 HydrophobicContact CG1-CD1 4.14Å; V1393-Y1480 HydrophobicContact CG2-CD1 4.4Å; V1393-N1483 HydrophobicContact CG2-CB 3.85Å
1394S46.9Very low40.2Very low44 Ų4490.9 Ų90.931%0.30844%0.444SS..PPolyproline II helixtrans-76.3147.7-178.899.60000109.7K1392 Y1396 D1397K1392-S1394 PolarHBondContact O-N 3.39Å; S1394-Y1396 PolarHBondContact O-N 3.03Å; S1394-Y1396 WeakPolarHBondContact OG-CB 3.48Å; S1394-Y1396 PolarHBondContact OG-N 3.06Å; S1394-D1397 WeakPolarHBondContact CB-OD1 3.34Å; S1394-D1397 PolarHBondContact N-OD2 3.2Å; S1394-D1397 WeakPolarHBondContact O-CB 3.1Å; S1394-D1397 PolarHBondContact O-N 2.88Å; S1394-D1397 VanDerWaalsContact OG-CG 3.23Å; S1394-D1397 PolarHBondContact OG-N 3.28Å; S1394-D1397 PolarHBondContact OG-OD1 3.35Å
1395L49Very low41.3Very low12 Ų1293.9 Ų93.96%0.06346%0.461CS..THydrogen-bonded Turntrans-56.8-24.4173.2-91.6-177.7000112.4D1397 S1399 F1484 L1775 I1776 R1779 D1806 N1810L1395-D1397 VanDerWaalsContact C-N 3.29Å; L1395-D1397 PolarHBondContact O-N 2.79Å; L1395-S1399 WeakPolarHBondContact O-CB 3.15Å; L1395-F1484 HydrophobicContact CB-CE2 4.43Å; L1395-F1484 HydrophobicContact CD1-CZ 4.39Å; L1395-F1484 HydrophobicContact CD2-CD2 4.08Å; L1395-F1484 HydrophobicContact CD2-CE1 3.91Å; L1395-F1484 HydrophobicContact CD2-CE2 3.43Å; L1395-F1484 VanDerWaalsContact CD2-CE2 3.43Å; L1395-F1484 HydrophobicContact CD2-CZ 3.32Å; L1395-F1484 HydrophobicContact CG-CD2 4.49Å; L1395-F1484 HydrophobicContact CG-CE2 3.53Å; L1395-F1484 HydrophobicContact CG-CZ 3.61Å; L1395-L1775 HydrophobicContact CD1-CD1 4.43Å; L1395-L1775 HydrophobicContact CD1-CD2 4.22Å; L1395-L1775 HydrophobicContact CD1-CG 4.14Å; L1395-I1776 HydrophobicContact CD2-CG1 4.42Å; L1395-R1779 PolarHBondContact O-NE 3.24Å; L1395-R1779 VanDerWaalsContact O-NE 3.13Å; L1395-D1806 HydrophobicContact CD1-CB 4.25Å; L1395-N1810 VanDerWaalsContact CD1-ND2 3.27Å; L1395-N1810 WeakPolarHBondContact CD1-ND2 3.17Å
1396Y49.1Very low42.6Very low41 Ų4186.5 Ų86.516%0.16144%0.435CS..THydrogen-bonded Turntrans-67.6-25.4175.4-114-115.6000113.4S1394 S1399 T1400 R1779 K1799 Q1803S1394-Y1396 PolarHBondContact O-N 3.03Å; S1394-Y1396 WeakPolarHBondContact OG-CB 3.48Å; S1394-Y1396 PolarHBondContact OG-N 3.06Å; Y1396-S1399 PolarHBondContact O-N 3.5Å; Y1396-T1400 HydrophobicContact CD1-CG2 3.83Å; Y1396-T1400 WeakPolarHBondContact CD1-OG1 3.44Å; Y1396-T1400 HydrophobicContact CE1-CG2 3.79Å; Y1396-T1400 HydrophobicContact CG-CG2 4.4Å; Y1396-T1400 PolarHBondContact O-N 3.39Å; Y1396-T1400 PolarHBondContact O-OG1 2.96Å; Y1396-R1779 VanDerWaalsContact CE2-NH2 3.28Å; Y1396-K1799 WeakPolarHBondContact OH-CE 3.46Å; Y1396-K1799 WeakPolarHBondContact OH-CG 3.44Å; Y1396-Q1803 HydrophobicContact CD2-CG 4.22Å; Y1396-Q1803 HydrophobicContact CE2-CG 3.39Å; Y1396-Q1803 VanDerWaalsContact CZ-NE2 3.26Å; Y1396-Q1803 PolarHBondContact OH-NE2 3.29Å
1397D50Low44.1Very low46 Ų4683.9 Ų83.925%0.24642%0.42CS..Hα-helixtrans-73.8-36.7-170.8-55.5-11.2000111V1393 S1394 L1395 S1399V1393-D1397 HydrophobicContact CG1-CB 3.81Å; V1393-D1397 WeakPolarHBondContact CG1-OD2 3.14Å; S1394-D1397 WeakPolarHBondContact CB-OD1 3.34Å; S1394-D1397 PolarHBondContact N-OD2 3.2Å; S1394-D1397 WeakPolarHBondContact O-CB 3.1Å; S1394-D1397 PolarHBondContact O-N 2.88Å; S1394-D1397 VanDerWaalsContact OG-CG 3.23Å; S1394-D1397 PolarHBondContact OG-N 3.28Å; S1394-D1397 PolarHBondContact OG-OD1 3.35Å; L1395-D1397 VanDerWaalsContact C-N 3.29Å; L1395-D1397 PolarHBondContact O-N 2.79Å; D1397-S1399 PolarHBondContact O-N 2.86Å
1398L56.4Low45.8Very low5 Ų578.9 Ų78.93%0.02639%0.389CS..Hα-helixtrans-67.6-10.1174.2-69.983.3000113.2V1393 Y1481 F1484 I1776V1393-L1398 HydrophobicContact CG1-CD1 4Å; L1398-Y1481 HydrophobicContact CD2-CD2 4.13Å; L1398-F1484 HydrophobicContact CD1-CB 4.21Å; L1398-F1484 HydrophobicContact CD1-CD2 4.28Å; L1398-F1484 HydrophobicContact CD1-CG 4.43Å; L1398-I1776 HydrophobicContact CD2-CD1 4.33Å; L1398-I1776 HydrophobicContact CD2-CG1 4.27Å; L1398-I1776 HydrophobicContact CD2-CG2 4.03Å
1399S55.6Low48.1Very low4 Ų479 Ų793%0.02839%0.389CS..Hα-helixtrans-139.8-20.1-147.2110.90000114.7L1395 Y1396 D1397 F1403 R1779 E1783L1395-S1399 WeakPolarHBondContact O-CB 3.15Å; Y1396-S1399 PolarHBondContact O-N 3.5Å; D1397-S1399 PolarHBondContact O-N 2.86Å; S1399-F1403 WeakPolarHBondContact O-CD2 3.46Å; S1399-F1403 WeakPolarHBondContact O-CE2 3.47Å; S1399-F1403 WeakPolarHBondContact O-CZ 3.34Å; S1399-R1779 PolarHBondContact OG-NE 3.41Å; S1399-R1779 VanDerWaalsContact OG-NE 3.08Å; S1399-R1779 PolarHBondContact OG-NH2 3.1Å; S1399-E1783 WeakPolarHBondContact CB-OE1 3.39Å; S1399-E1783 WeakPolarHBondContact CB-OE2 3.41Å; S1399-E1783 VanDerWaalsContact OG-CD 3.28Å; S1399-E1783 PolarHBondContact OG-OE1 2.9Å; S1399-E1783 PolarHBondContact OG-OE2 3.42Å
1400T49.7Very low50.5Low37 Ų3771.4 Ų71.423%0.22735%0.35CS..Hα-helixtrans-137.1-15.4179.361.40000114.9Y1396 H1402 F1403Y1396-T1400 HydrophobicContact CD1-CG2 3.83Å; Y1396-T1400 WeakPolarHBondContact CD1-OG1 3.44Å; Y1396-T1400 HydrophobicContact CE1-CG2 3.79Å; Y1396-T1400 HydrophobicContact CG-CG2 4.4Å; Y1396-T1400 PolarHBondContact O-N 3.39Å; Y1396-T1400 PolarHBondContact O-OG1 2.96Å; T1400-H1402 PolarHBondContact O-N 3.04Å; T1400-F1403 WeakPolarHBondContact O-CB 3.35Å; T1400-F1403 PolarHBondContact O-N 2.93Å
1401H46.2Very low53.2Low142 Ų14265.9 Ų65.966%0.65732%0.324SS*.THydrogen-bonded Turntrans-70.8-2.3-168.1-130.7-50.6000115.4
1402H48.2Very low55.7Low62 Ų6255.7 Ų55.729%0.28728%0.279SS..THydrogen-bonded Turntrans-127.218.7173.5-69.5-16.2000113.6T1400 S1406 R1473T1400-H1402 PolarHBondContact O-N 3.04Å; H1402-S1406 PolarHBondContact O-OG 3.28Å; H1402-R1473 PolarHBondContact CD2-NE 3.02Å; H1402-R1473 PolarHBondContact NE2-NE 3.28Å
1403F42.8Very low57.7Low59 Ų5951 Ų5126%0.25926%0.259SS..  trans-93.9-12.4-177.5-83.2-116.2000114.9S1399 T1400 F1409 C1458S1399-F1403 WeakPolarHBondContact O-CD2 3.46Å; S1399-F1403 WeakPolarHBondContact O-CE2 3.47Å; S1399-F1403 WeakPolarHBondContact O-CZ 3.34Å; T1400-F1403 WeakPolarHBondContact O-CB 3.35Å; T1400-F1403 PolarHBondContact O-N 2.93Å; F1403-F1409 HydrophobicContact CB-CE1 4.21Å; F1403-F1409 HydrophobicContact CB-CZ 4.48Å; F1403-F1409 HydrophobicContact CD1-CD1 4.13Å; F1403-F1409 AromaticContact CD1-CE1 3.34Å; F1403-F1409 HydrophobicContact CD1-CE1 3.34Å; F1403-F1409 AromaticContact CD1-CZ 3.59Å; F1403-F1409 HydrophobicContact CD1-CZ 3.59Å; F1403-F1409 HydrophobicContact CD2-CE1 4.07Å; F1403-F1409 AromaticContact CE1-CD1 3.91Å; F1403-F1409 HydrophobicContact CE1-CD1 3.91Å; F1403-F1409 AromaticContact CE1-CE1 3.59Å; F1403-F1409 HydrophobicContact CE1-CE1 3.59Å; F1403-F1409 HydrophobicContact CE1-CZ 4.03Å; F1403-F1409 HydrophobicContact CE2-CD1 4.41Å; F1403-F1409 HydrophobicContact CE2-CE1 4.27Å; F1403-F1409 HydrophobicContact CG-CD1 4.49Å; F1403-F1409 AromaticContact CG-CE1 3.61Å; F1403-F1409 HydrophobicContact CG-CE1 3.61Å; F1403-F1409 HydrophobicContact CG-CZ 4.13Å; F1403-F1409 HydrophobicContact CZ-CD1 4.07Å; F1403-F1409 HydrophobicContact CZ-CE1 4.06Å; F1403-C1458 HydrophobicContact CE2-CB 4.31Å; F1403-C1458 HydrophobicContact CZ-CB 4.12Å
1404Q43Very low59.3Low177 Ų17749.6 Ų49.683%0.82725%0.25SS*.SBendtrans-82.1133.4172.2-69.5179.7-60.800109.4S1406Q1404-S1406 PolarHBondContact O-N 3.15Å; Q1404-S1406 VanDerWaalsContact O-N 3.1Å
1405D47.8Very low60.3Low147 Ų14748.5 Ų48.579%0.78624%0.24SC*.SBendtrans62.82.1178-49.5-31.5000117.7L1462D1405-L1462 HydrophobicContact CB-CD2 4.44Å; D1405-L1462 VanDerWaalsContact O-CD2 3.23Å; D1405-L1462 WeakPolarHBondContact O-CD2 3.37Å
1406S58.7Low60.7Low18 Ų1848.8 Ų48.813%0.12624%0.243CC..  trans-73131.7175.457.20000113.2H1402 Q1404 F1409 L1461H1402-S1406 PolarHBondContact O-OG 3.28Å; Q1404-S1406 PolarHBondContact O-N 3.15Å; Q1404-S1406 VanDerWaalsContact O-N 3.1Å; S1406-F1409 WeakPolarHBondContact OG-CE1 3.43Å; S1406-F1409 VanDerWaalsContact OG-CZ 3.26Å; S1406-F1409 WeakPolarHBondContact OG-CZ 3.44Å; S1406-L1461 CarbonylContact C-O 3.58Å; S1406-L1461 WeakPolarHBondContact CA-O 3.44Å
1407C57.6Low60.6Low66 Ų6648.9 Ų48.945%0.44625%0.245SC..SBendtrans-83.2-26.8-174.1-47.80000113.3L1461 I1559C1407-L1461 PolarHBondContact N-O 3.07Å; C1407-I1559 HydrophobicContact CB-CD1 3.78Å
1408Q66.4Low60.2Low22 Ų2248.8 Ų48.810%0.10325%0.247CC..EExtended strand (participates in β ladder)trans-146.2159.4173.8-67.6-174.59.600111.4L1461 I1559 N1563Q1408-L1461 PolarHBondContact N-O 2.99Å; Q1408-L1461 PolarHBondContact O-N 2.86Å; Q1408-I1559 HydrophobicContact CB-CD1 4.45Å; Q1408-I1559 HydrophobicContact CG-CD1 4.5Å; Q1408-N1563 PolarHBondContact NE2-OD1 3.2Å
1409F72Confident59.1Low87 Ų8751.4 Ų51.438%0.38226%0.261SS..EExtended strand (participates in β ladder)trans-118.3141.2-179.6-63.5-74.7000112.1F1403 S1406F1403-F1409 HydrophobicContact CB-CE1 4.21Å; F1403-F1409 HydrophobicContact CB-CZ 4.48Å; F1403-F1409 HydrophobicContact CD1-CD1 4.13Å; F1403-F1409 AromaticContact CD1-CE1 3.34Å; F1403-F1409 HydrophobicContact CD1-CE1 3.34Å; F1403-F1409 AromaticContact CD1-CZ 3.59Å; F1403-F1409 HydrophobicContact CD1-CZ 3.59Å; F1403-F1409 HydrophobicContact CD2-CE1 4.07Å; F1403-F1409 AromaticContact CE1-CD1 3.91Å; F1403-F1409 HydrophobicContact CE1-CD1 3.91Å; F1403-F1409 AromaticContact CE1-CE1 3.59Å; F1403-F1409 HydrophobicContact CE1-CE1 3.59Å; F1403-F1409 HydrophobicContact CE1-CZ 4.03Å; F1403-F1409 HydrophobicContact CE2-CD1 4.41Å; F1403-F1409 HydrophobicContact CE2-CE1 4.27Å; F1403-F1409 HydrophobicContact CG-CD1 4.49Å; F1403-F1409 AromaticContact CG-CE1 3.61Å; F1403-F1409 HydrophobicContact CG-CE1 3.61Å; F1403-F1409 HydrophobicContact CG-CZ 4.13Å; F1403-F1409 HydrophobicContact CZ-CD1 4.07Å; F1403-F1409 HydrophobicContact CZ-CE1 4.06Å; S1406-F1409 WeakPolarHBondContact OG-CE1 3.43Å; S1406-F1409 VanDerWaalsContact OG-CZ 3.26Å; S1406-F1409 WeakPolarHBondContact OG-CZ 3.44Å
1410V78.6Confident58Low0 Ų054 Ų540%028%0.279CS..EExtended strand (participates in β ladder)trans-127.5129.6179.3-172.40000110.3C1458 T1459 L1461 L1503 L1576 I1578V1410-C1458 CarbonylContact O-C 3.59Å; V1410-C1458 VanDerWaalsContact O-CA 3.32Å; V1410-C1458 WeakPolarHBondContact O-CA 3.04Å; V1410-T1459 HydrophobicContact CB-CG2 4.07Å; V1410-T1459 PolarHBondContact N-O 2.86Å; V1410-T1459 PolarHBondContact O-N 2.7Å; V1410-L1461 HydrophobicContact CG2-CD1 3.63Å; V1410-L1461 HydrophobicContact CG2-CD2 4.5Å; V1410-L1461 HydrophobicContact CG2-CG 3.89Å; V1410-L1503 HydrophobicContact CG1-CD1 4.01Å; V1410-L1576 HydrophobicContact CB-CB 4.27Å; V1410-L1576 HydrophobicContact CG1-CB 4.02Å; V1410-L1576 HydrophobicContact CG2-CB 3.99Å; V1410-L1576 HydrophobicContact CG2-CD1 4.12Å; V1410-I1578 HydrophobicContact CB-CD1 4.22Å; V1410-I1578 HydrophobicContact CG1-CB 4.3Å; V1410-I1578 HydrophobicContact CG1-CD1 3.58Å; V1410-I1578 HydrophobicContact CG1-CG1 3.59Å
1411Q81.6Confident57.3Low34 Ų3457 Ų5716%0.15929%0.286CS..EExtended strand (participates in β ladder)trans-76.6138.5175.1-58.3-164.423.700110.7F1413 L1576 S1577 I1578Q1411-F1413 HydrophobicContact CB-CD2 4.4Å; Q1411-F1413 HydrophobicContact CB-CE2 3.63Å; Q1411-F1413 HydrophobicContact CB-CZ 4.26Å; Q1411-L1576 PolarHBondContact N-O 2.9Å; Q1411-L1576 VanDerWaalsContact N-O 3.08Å; Q1411-S1577 CarbonylContact O-C 3.56Å; Q1411-S1577 VanDerWaalsContact O-CA 3.29Å; Q1411-S1577 WeakPolarHBondContact O-CA 3.38Å; Q1411-I1578 PolarHBondContact O-N 3.21Å
1412V83.1Confident56.4Low0 Ų059 Ų590%029%0.288CS..EExtended strand (participates in β ladder)trans-114.9125.8-177.4-174.90000110.7K1455 I1456 G1457 T1459 L1474 L1477 I1578 I1580V1412-K1455 WeakPolarHBondContact O-CA 3.37Å; V1412-I1456 PolarHBondContact O-N 2.62Å; V1412-G1457 PolarHBondContact N-O 3.07Å; V1412-G1457 PolarHBondContact O-N 3.13Å; V1412-T1459 HydrophobicContact CG2-CG2 3.95Å; V1412-L1474 HydrophobicContact CG1-CD2 4.03Å; V1412-L1474 HydrophobicContact CG2-CD2 3.89Å; V1412-L1477 HydrophobicContact CB-CD2 3.85Å; V1412-L1477 HydrophobicContact CG1-CD2 4.04Å; V1412-L1477 HydrophobicContact CG2-CD2 3.77Å; V1412-I1578 HydrophobicContact CG2-CB 4.49Å; V1412-I1580 HydrophobicContact CG1-CD1 3.43Å; V1412-I1580 VanDerWaalsContact CG1-CD1 3.43Å; V1412-I1580 HydrophobicContact CG1-CG1 3.98Å
1413F83.1Confident55.7Low38 Ų3862.1 Ų62.117%0.16731%0.307CS..EExtended strand (participates in β ladder)trans-124.1143.4179.4-59.9-95.8000110.8Q1411 F1454 K1455 I1578 Q1579 I1580Q1411-F1413 HydrophobicContact CB-CD2 4.4Å; Q1411-F1413 HydrophobicContact CB-CE2 3.63Å; Q1411-F1413 HydrophobicContact CB-CZ 4.26Å; F1413-F1454 CarbonylContact C-O 3.27Å; F1413-F1454 VanDerWaalsContact CA-O 3.23Å; F1413-F1454 WeakPolarHBondContact CA-O 3.25Å; F1413-K1455 HydrophobicContact CD1-CB 3.84Å; F1413-K1455 HydrophobicContact CD1-CG 4.3Å; F1413-K1455 HydrophobicContact CE1-CB 3.75Å; F1413-K1455 HydrophobicContact CE1-CD 4.35Å; F1413-K1455 HydrophobicContact CE1-CG 4.04Å; F1413-K1455 HydrophobicContact CZ-CD 4.4Å; F1413-K1455 HydrophobicContact CZ-CG 4.36Å; F1413-I1578 PolarHBondContact N-O 2.8Å; F1413-Q1579 CarbonylContact O-C 3.57Å; F1413-I1580 WeakPolarHBondContact O-CB 3.45Å; F1413-I1580 PolarHBondContact O-N 3.34Å
1414V80.4Confident55.3Low0 Ų062.2 Ų62.20%031%0.31CS..EExtended strand (participates in β ladder)trans-102.7131.6163.9157.20000109.3T1416 S1453 F1454 I1456 I1580 L1582 F1614V1414-T1416 HydrophobicContact CG1-CG2 3.97Å; V1414-S1453 CarbonylContact O-C 3.52Å; V1414-S1453 WeakPolarHBondContact O-CA 3.4Å; V1414-F1454 PolarHBondContact N-O 3.03Å; V1414-F1454 PolarHBondContact O-N 2.93Å; V1414-I1456 HydrophobicContact CB-CD1 3.78Å; V1414-I1456 HydrophobicContact CB-CG1 4.44Å; V1414-I1456 HydrophobicContact CG2-CD1 3.34Å; V1414-I1456 HydrophobicContact CG2-CG1 4.33Å; V1414-I1580 HydrophobicContact CG2-CB 3.7Å; V1414-I1580 HydrophobicContact CG2-CG2 3.7Å; V1414-L1582 HydrophobicContact CG1-CD1 3.77Å; V1414-L1582 HydrophobicContact CG1-CG 4.22Å; V1414-L1582 HydrophobicContact CG2-CD1 4.32Å; V1414-L1582 HydrophobicContact CG2-CD2 4.2Å; V1414-L1582 HydrophobicContact CG2-CG 4.25Å; V1414-F1614 HydrophobicContact CB-CE1 4.41Å; V1414-F1614 HydrophobicContact CG1-CD1 4.42Å; V1414-F1614 HydrophobicContact CG1-CE1 3.82Å; V1414-F1614 HydrophobicContact CG1-CZ 4.46Å
1415H67.2Low54.8Low21 Ų2159.8 Ų59.810%0.09730%0.303CS..EExtended strand (participates in β ladder)trans-94.5121.8178.1-14991.5000110.5N1449 I1580 Y1611H1415-N1449 PolarHBondContact NE2-O 3.05Å; H1415-I1580 PolarHBondContact N-O 3.13Å; H1415-Y1611 PolarHBondContact O-OH 3.38Å
1416T57.9Low54.2Low18 Ų1860.4 Ų60.411%0.1130%0.298CS..  trans-101.326.9-177.161.50000115.2V1414 R1452 F1454 Y1611 F1614V1414-T1416 HydrophobicContact CG1-CG2 3.97Å; T1416-R1452 PolarHBondContact N-O 2.88Å; T1416-R1452 VanDerWaalsContact OG1-CB 3.3Å; T1416-R1452 WeakPolarHBondContact OG1-CB 3.47Å; T1416-R1452 PolarHBondContact OG1-O 2.92Å; T1416-F1454 HydrophobicContact CG2-CD2 3.8Å; T1416-F1454 HydrophobicContact CG2-CE2 3.75Å; T1416-F1454 WeakPolarHBondContact OG1-CE2 3.18Å; T1416-Y1611 VanDerWaalsContact CA-OH 3.29Å; T1416-Y1611 WeakPolarHBondContact CA-OH 3.39Å; T1416-Y1611 HydrophobicContact CG2-CE2 4.07Å; T1416-Y1611 PolarHBondContact O-OH 2.77Å; T1416-F1614 HydrophobicContact CG2-CD1 4.2Å; T1416-F1614 HydrophobicContact CG2-CE1 4.35Å
1417E46Very low53Low44 Ų4465.2 Ų65.221%0.20632%0.321CS..SBendtrans-128.4158.5158-61.2-163.9125.600112.2Y1611E1417-Y1611 VanDerWaalsContact CA-OH 3.27Å; E1417-Y1611 WeakPolarHBondContact CA-OH 3.26Å; E1417-Y1611 PolarHBondContact N-OH 3.39Å; E1417-Y1611 PolarHBondContact O-OH 2.82Å
1418S41.5Very low51.7Low43 Ų4365.6 Ų65.630%0.30132%0.324SS..PPolyproline II helixtrans-85.1119.5-172.960.80000112.5C1420 C1585S1418-C1420 PolarHBondContact O-N 2.92Å; S1418-C1420 VanDerWaalsContact O-N 3.14Å; S1418-C1585 WeakPolarHBondContact CA-O 3.17Å; S1418-C1585 WeakPolarHBondContact CB-O 3.23Å
1419I34.4Very low49.7Very low61 Ų6171.4 Ų71.431%0.31336%0.356SS..PPolyproline II helixtrans-63.7116.3172.9-66.5-173.9000110.2Y1421 H1581I1419-Y1421 PolarHBondContact O-N 3Å; I1419-H1581 WeakPolarHBondContact CD1-CE1 3.23Å; I1419-H1581 WeakPolarHBondContact CD1-NE2 3.32Å
1420C32.2Very low47.6Very low59 Ų5974.6 Ų74.640%0.39938%0.376SS..PPolyproline II helixtrans-75.5116.6159.6-71.60000108.6S1418 R1422S1418-C1420 PolarHBondContact O-N 2.92Å; S1418-C1420 VanDerWaalsContact O-N 3.14Å; C1420-R1422 PolarHBondContact O-N 2.88Å
1421Y35.2Very low45Very low99 Ų9979.2 Ų79.239%0.38841%0.408SS..G310 helixtrans-62.3-5.2-171.7-92.1-104000116.3I1419 N1423 L1424 T1586I1419-Y1421 PolarHBondContact O-N 3Å; Y1421-N1423 PolarHBondContact O-N 3.15Å; Y1421-L1424 HydrophobicContact CD1-CD1 3.7Å; Y1421-L1424 HydrophobicContact CE1-CD1 3.88Å; Y1421-L1424 PolarHBondContact O-N 2.89Å; Y1421-L1424 VanDerWaalsContact O-N 3.1Å; Y1421-T1586 HydrophobicContact CE2-CG2 4.41Å
1422R27.4Very low42.3Very low184 Ų18486.3 Ų86.369%0.69444%0.441SS*.G310 helixtrans-53.3-17.4-177.4-73.7-170.4177.3-1720.5115.8C1420C1420-R1422 PolarHBondContact O-N 2.88Å
1423N33.1Very low39.5Very low128 Ų12892.6 Ų92.668%0.68448%0.484SS*.G310 helixtrans-88-11.4-178.3-72.41.9000114.3Y1421Y1421-N1423 PolarHBondContact O-N 3.15Å
1424L34.7Very low36.6Very low60 Ų60100.9 Ų100.931%0.31451%0.514SS..THydrogen-bonded Turntrans-82.1-44.6175.8-80.1160.1000111.8Y1421 K1426 I1427Y1421-L1424 HydrophobicContact CD1-CD1 3.7Å; Y1421-L1424 HydrophobicContact CE1-CD1 3.88Å; Y1421-L1424 PolarHBondContact O-N 2.89Å; Y1421-L1424 VanDerWaalsContact O-N 3.1Å; L1424-K1426 PolarHBondContact O-N 2.96Å; L1424-K1426 VanDerWaalsContact O-N 3.08Å; L1424-I1427 PolarHBondContact O-N 3.43Å; L1424-I1427 VanDerWaalsContact O-N 3.15Å
1425D32.2Very low34Very low127 Ų127106.6 Ų106.668%0.67954%0.544SS*.G310 helixtrans-61.7-23-175.6-57.9-39.9000114
1426K35.8Very low32.1Very low159 Ų159113.7 Ų113.769%0.69158%0.577SS**G310 helixtrans-79-12.3-179.9-73.8-167.7173.1-171.70114.8L1424 S1428L1424-K1426 PolarHBondContact O-N 2.96Å; L1424-K1426 VanDerWaalsContact O-N 3.08Å; K1426-S1428 VanDerWaalsContact C-N 3.34Å
1427I33.4Very low30.5Very low120 Ų120118.3 Ų118.362%0.61561%0.61SS**G310 helixtrans-80.9-20.7-179-61.5176.6000111.1L1424L1424-I1427 PolarHBondContact O-N 3.43Å; L1424-I1427 VanDerWaalsContact O-N 3.15Å
1428S29Very low29.6Very low73 Ų73121.2 Ų121.251%0.5164%0.642SS.*SBendtrans-82.1-21.1-169.1-51.20000116K1426K1426-S1428 VanDerWaalsContact C-N 3.34Å
1429N25.6Very low28.8Very low144 Ų144123.7 Ų123.777%0.7767%0.665SS**  trans-150.279-171.3-78-59.3000113.2
1430I27.1Very low28.3Very low154 Ų154128.4 Ų128.479%0.7969%0.691SS**  trans-133.582.5158.3-53.9-177.3000109.9
1431S24.3Very low28.1Very low98 Ų98132.2 Ų132.269%0.68571%0.707SS**SBendtrans-139.6117.4157.361.30000107.3
1432Q25Very low27.6Very low183 Ų183135.8 Ų135.886%0.85573%0.733SS**SBendtrans68.9132.3-166.4-43.6167.512.500110.8
1433C24.5Very low27.6Very low131 Ų131129.5 Ų129.589%0.88572%0.717SS**  cis-129.2-176.218.7-79.40000113.6
1434R22.4Very low27.3Very low213 Ų213127.9 Ų127.980%0.80472%0.722SS**  trans-120.5157.7-177.5-159.3-169.6172.5141.30.2110
1435D25.5Very low26.8Very low119 Ų119130.6 Ų130.664%0.63674%0.737SS**  trans76.6132.9162.2-53.9-50.6000120.1
1436Q26.6Very low26.5Very low170 Ų170129.9 Ų129.979%0.79474%0.737SS**  trans67.7142.9162.2-62.1171.158.800118.8
1437S24Very low26Very low115 Ų115127.2 Ų127.280%0.80474%0.736SS**  cis-160.1162.1-18.249.30000109.9
1438A27.2Very low25.7Very low105 Ų105127.5 Ų127.587%0.86874%0.738SS**  trans-83.9150.9-167.600000115.9
1439A24.4Very low25.6Very low95 Ų95128.3 Ų128.379%0.78574%0.736SS**  trans-152.8133.2156.200000110.5
1440N24.6Very low25.6Very low160 Ų160126.4 Ų126.486%0.85673%0.733SS**  trans8110.7169.2-61.1-6.1000119.5
1441D28.1Very low26.1Very low139 Ų139124.7 Ų124.774%0.74372%0.724SS**  trans-148.497.4147.2-146.3-20.2000110.5S1443D1441-S1443 PolarHBondContact O-N 3.12Å
1442N24.7Very low27.5Very low175 Ų175123.4 Ų123.494%0.93670%0.704SS**  trans-78.258.5179.1-78.8-5.9000111.1
1443S27.8Very low29.3Very low51 Ų51117 Ų11736%0.35768%0.68SS.*  trans-138.974.2165.460.90000111.5D1441 D1445 K1664D1441-S1443 PolarHBondContact O-N 3.12Å; S1443-D1445 PolarHBondContact O-N 3.47Å; S1443-K1664 PolarHBondContact OG-NZ 3.06Å
1444A25.7Very low31.6Very low94 Ų94112.4 Ų112.478%0.77765%0.645SS**  trans-7163.9165.600000110.7T1446A1444-T1446 PolarHBondContact O-N 3.46Å
1445D26Very low34.3Very low118 Ų118102.4 Ų102.463%0.63161%0.607SS**  trans-67.873.7168.3-71.4-41.9000109S1443 K1664S1443-D1445 PolarHBondContact O-N 3.47Å; D1445-K1664 WeakPolarHBondContact OD2-CE 3.43Å; D1445-K1664 IonicContact OD2-NZ 2.63Å; D1445-K1664 PolarHBondContact OD2-NZ 3.36Å
1446T24.6Very low36.9Very low112 Ų11296.8 Ų96.869%0.68758%0.577SS**  trans-59.2134.6168.737.10000109A1444 I1448A1444-T1446 PolarHBondContact O-N 3.46Å; T1446-I1448 PolarHBondContact O-N 3.06Å
1447P26.8Very low39.4Very low102 Ų10288.7 Ų88.766%0.66254%0.539SS*.  trans-73.8103-167.527.9-34.8000111.6N1449P1447-N1449 PolarHBondContact O-N 2.7Å
1448I26.4Very low41.7Very low127 Ų12784.4 Ų84.465%0.65151%0.509SS*.  trans-65.1-4.7175.1-64.4170000112.6T1446 C1450 I1451T1446-I1448 PolarHBondContact O-N 3.06Å; I1448-C1450 PolarHBondContact O-N 3.33Å; I1448-I1451 HydrophobicContact CG2-CD1 4.47Å
1449N25.9Very low44.2Very low90 Ų9079.5 Ų79.548%0.48147%0.468SS..THydrogen-bonded Turntrans-63.236.2-174.7-56.24.2000116.6H1415 P1447H1415-N1449 PolarHBondContact NE2-O 3.05Å; P1447-N1449 PolarHBondContact O-N 2.7Å
1450C26.8Very low46.7Very low104 Ų10475 Ų7570%0.70343%0.431SS*.THydrogen-bonded Turntrans-125.8-4.8-177.6-153.60000114.8I1448I1448-C1450 PolarHBondContact O-N 3.33Å
1451I37.1Very low49.3Very low117 Ų11767.5 Ų67.560%0.639%0.391SS*.SBendtrans-95.1-6.2-164-62.2177.5000113.8I1448I1448-I1451 HydrophobicContact CG2-CD1 4.47Å
1452R53.7Low51.7Low71 Ų7163.6 Ų63.627%0.26837%0.37SS..  trans-134.145.8-171.2-54.4-172.2178.1178.71.7117T1416 D1652T1416-R1452 PolarHBondContact N-O 2.88Å; T1416-R1452 VanDerWaalsContact OG1-CB 3.3Å; T1416-R1452 WeakPolarHBondContact OG1-CB 3.47Å; T1416-R1452 PolarHBondContact OG1-O 2.92Å; R1452-D1652 IonicContact NH1-OD2 3.13Å
1453S63Low54Low50 Ų5059 Ų5935%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-97.6112.7168.958.80000112.3V1414V1414-S1453 CarbonylContact O-C 3.52Å; V1414-S1453 WeakPolarHBondContact O-CA 3.4Å
1454F71.7Confident56.3Low33 Ų3362.5 Ų62.515%0.14536%0.356CS..EExtended strand (participates in β ladder)trans-92.1123.6179.3-59.9-59.6000111.3F1413 V1414 T1416 I1456 F1614F1413-F1454 CarbonylContact C-O 3.27Å; F1413-F1454 VanDerWaalsContact CA-O 3.23Å; F1413-F1454 WeakPolarHBondContact CA-O 3.25Å; V1414-F1454 PolarHBondContact N-O 3.03Å; V1414-F1454 PolarHBondContact O-N 2.93Å; T1416-F1454 HydrophobicContact CG2-CD2 3.8Å; T1416-F1454 HydrophobicContact CG2-CE2 3.75Å; T1416-F1454 WeakPolarHBondContact OG1-CE2 3.18Å; F1454-I1456 PolarHBondContact O-N 2.88Å; F1454-F1614 HydrophobicContact CD2-CE1 4.28Å
1455K79.5Confident59Low4 Ų458.3 Ų58.32%0.01732%0.32CS..EExtended strand (participates in β ladder)trans-68.4126.2169.5-166.2176.6178.21790109.7V1412 F1413 L1780V1412-K1455 WeakPolarHBondContact O-CA 3.37Å; F1413-K1455 HydrophobicContact CD1-CB 3.84Å; F1413-K1455 HydrophobicContact CD1-CG 4.3Å; F1413-K1455 HydrophobicContact CE1-CB 3.75Å; F1413-K1455 HydrophobicContact CE1-CD 4.35Å; F1413-K1455 HydrophobicContact CE1-CG 4.04Å; F1413-K1455 HydrophobicContact CZ-CD 4.4Å; F1413-K1455 HydrophobicContact CZ-CG 4.36Å; K1455-L1780 HydrophobicContact CD-CB 4.01Å; K1455-L1780 HydrophobicContact CG-CB 4.42Å; K1455-L1780 HydrophobicContact CG-CD1 4.25Å; K1455-L1780 PolarHBondContact NZ-O 3.37Å
1456I80.6Confident61.7Low0 Ų055.7 Ų55.70%031%0.309CS..EExtended strand (participates in β ladder)trans-106.6-30.6-176.8-73.5-164.1000112.1V1412 V1414 F1454 L1477 Y1481 F1614 L1780V1412-I1456 PolarHBondContact O-N 2.62Å; V1414-I1456 HydrophobicContact CB-CD1 3.78Å; V1414-I1456 HydrophobicContact CB-CG1 4.44Å; V1414-I1456 HydrophobicContact CG2-CD1 3.34Å; V1414-I1456 HydrophobicContact CG2-CG1 4.33Å; F1454-I1456 PolarHBondContact O-N 2.88Å; I1456-L1477 HydrophobicContact CG2-CD2 4.33Å; I1456-L1477 HydrophobicContact CG2-CG 4.05Å; I1456-Y1481 HydrophobicContact CB-CD2 4.12Å; I1456-Y1481 HydrophobicContact CB-CE2 4.43Å; I1456-Y1481 HydrophobicContact CB-CG 4.39Å; I1456-Y1481 HydrophobicContact CD1-CD1 4.04Å; I1456-Y1481 HydrophobicContact CD1-CE1 4.18Å; I1456-Y1481 HydrophobicContact CD1-CG 4.32Å; I1456-Y1481 HydrophobicContact CG1-CD1 4.23Å; I1456-Y1481 HydrophobicContact CG1-CD2 4.07Å; I1456-Y1481 HydrophobicContact CG1-CE1 4.19Å; I1456-Y1481 HydrophobicContact CG1-CE2 4.03Å; I1456-Y1481 HydrophobicContact CG1-CG 4.19Å; I1456-Y1481 HydrophobicContact CG2-CD1 4.5Å; I1456-Y1481 HydrophobicContact CG2-CD2 3.89Å; I1456-Y1481 HydrophobicContact CG2-CG 3.82Å; I1456-F1614 HydrophobicContact CD1-CZ 3.88Å; I1456-L1780 WeakPolarHBondContact O-CD1 3.33Å
1457G78.3Confident64.5Low0 Ų050.8 Ų50.80%028%0.278CS..EExtended strand (participates in β ladder)trans177.6-163.5177.400000113.3V1412V1412-G1457 PolarHBondContact N-O 3.07Å; V1412-G1457 PolarHBondContact O-N 3.13Å
1458C73.8Confident67.1Low25 Ų2552.4 Ų52.417%0.16928%0.276CS..EExtended strand (participates in β ladder)trans-127.8142.1166.5-660000108.4F1403 V1410F1403-C1458 HydrophobicContact CE2-CB 4.31Å; F1403-C1458 HydrophobicContact CZ-CB 4.12Å; V1410-C1458 CarbonylContact O-C 3.59Å; V1410-C1458 VanDerWaalsContact O-CA 3.32Å; V1410-C1458 WeakPolarHBondContact O-CA 3.04Å
1459T79.7Confident69.8Low2 Ų249.6 Ų49.61%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-117.4137.6174.2-171.20000110.6V1410 V1412 L1470 L1474 I1578V1410-T1459 HydrophobicContact CB-CG2 4.07Å; V1410-T1459 PolarHBondContact N-O 2.86Å; V1410-T1459 PolarHBondContact O-N 2.7Å; V1412-T1459 HydrophobicContact CG2-CG2 3.95Å; T1459-L1470 HydrophobicContact CG2-CD1 4.22Å; T1459-L1474 HydrophobicContact CG2-CD2 4.46Å; T1459-I1578 HydrophobicContact CG2-CD1 4.18Å
1460G76Confident72.6Confident0 Ų045.4 Ų45.40%024%0.24CC..EExtended strand (participates in β ladder)trans-87.513317400000110.8
1461L79.8Confident75.3Confident3 Ų340.9 Ų40.92%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-96.6135.4172.3-60-179.1000109.9S1406 C1407 Q1408 V1410 M1465 L1470 I1559 I1562S1406-L1461 CarbonylContact C-O 3.58Å; S1406-L1461 WeakPolarHBondContact CA-O 3.44Å; C1407-L1461 PolarHBondContact N-O 3.07Å; Q1408-L1461 PolarHBondContact N-O 2.99Å; Q1408-L1461 PolarHBondContact O-N 2.86Å; V1410-L1461 HydrophobicContact CG2-CD1 3.63Å; V1410-L1461 HydrophobicContact CG2-CD2 4.5Å; V1410-L1461 HydrophobicContact CG2-CG 3.89Å; L1461-M1465 HydrophobicContact CD2-CE 3.53Å; L1461-L1470 HydrophobicContact CD2-CD1 4.03Å; L1461-I1559 HydrophobicContact CB-CD1 3.67Å; L1461-I1559 HydrophobicContact CB-CG1 4.03Å; L1461-I1559 HydrophobicContact CD1-CG1 4.28Å; L1461-I1562 HydrophobicContact CD1-CD1 3.29Å
1462L78.4Confident77.5Confident57 Ų5740.2 Ų40.230%0.29820%0.203SC..  trans-104.3146.1173.3-61.6157.4000109.2D1405 E1464 M1465D1405-L1462 HydrophobicContact CB-CD2 4.44Å; D1405-L1462 VanDerWaalsContact O-CD2 3.23Å; D1405-L1462 WeakPolarHBondContact O-CD2 3.37Å; L1462-E1464 PolarHBondContact O-N 2.78Å; L1462-E1464 VanDerWaalsContact O-N 3.1Å; L1462-M1465 HydrophobicContact CB-CB 4.15Å; L1462-M1465 WeakPolarHBondContact O-CB 3.47Å; L1462-M1465 PolarHBondContact O-N 2.75Å; L1462-M1465 VanDerWaalsContact O-N 3.08Å
1463D72.7Confident78.8Confident80 Ų8039.1 Ų39.143%0.42820%0.199SC..THydrogen-bonded Turntrans-51-38.3-178.4-87.3-10.1000114S1557D1463-S1557 WeakPolarHBondContact O-CB 3.5Å; D1463-S1557 PolarHBondContact O-OG 3.04Å
1464E75.8Confident79.9Confident123 Ų12336.8 Ų36.858%0.57518%0.183SC*.THydrogen-bonded Turntrans-102.112.1-173.5-52-165.1113.400113.5K121 L1462K121-E1464 WeakPolarHBondContact CD-OE1 3.46Å; K121-E1464 WeakPolarHBondContact CD-OE2 3.46Å; K121-E1464 VanDerWaalsContact NZ-CD 3.32Å; K121-E1464 IonicContact NZ-OE1 4Å; K121-E1464 IonicContact NZ-OE2 2.7Å; K121-E1464 PolarHBondContact NZ-OE2 2.81Å; L1462-E1464 PolarHBondContact O-N 2.78Å; L1462-E1464 VanDerWaalsContact O-N 3.1Å
1465M82.2Confident80.5Confident7 Ų740 Ų403%0.03420%0.198CC..  trans-71.5133.6-178.8-157.9163.1102.800111.3L1461 L1462 D1469 L1470 R1473 S1557 P1558L1461-M1465 HydrophobicContact CD2-CE 3.53Å; L1462-M1465 HydrophobicContact CB-CB 4.15Å; L1462-M1465 WeakPolarHBondContact O-CB 3.47Å; L1462-M1465 PolarHBondContact O-N 2.75Å; L1462-M1465 VanDerWaalsContact O-N 3.08Å; M1465-D1469 HydrophobicContact CG-CB 3.45Å; M1465-D1469 VanDerWaalsContact CG-CB 3.45Å; M1465-D1469 HydrophobicContact SD-CB 4.4Å; M1465-L1470 HydrophobicContact CE-CB 3.66Å; M1465-L1470 HydrophobicContact CE-CD1 3.8Å; M1465-L1470 HydrophobicContact CE-CG 4.27Å; M1465-R1473 PolarHBondContact SD-NH1 3.43Å; M1465-S1557 WeakPolarHBondContact O-CA 3.27Å; M1465-S1557 WeakPolarHBondContact O-CB 3.22Å; M1465-P1558 WeakPolarHBondContact O-CD 3.47Å
1466T84Confident80.6Confident63 Ų6343.8 Ų43.839%0.38722%0.215SC..  trans-78.3167.8170.8690000111.2E1468 D1469 L1470T1466-E1468 PolarHBondContact O-N 3.45Å; T1466-E1468 PolarHBondContact OG1-N 3.47Å; T1466-D1469 WeakPolarHBondContact CB-OD2 3.42Å; T1466-D1469 PolarHBondContact N-OD2 2.83Å; T1466-D1469 PolarHBondContact O-N 3.45Å; T1466-D1469 PolarHBondContact OG1-N 3.14Å; T1466-D1469 PolarHBondContact OG1-OD2 3.35Å; T1466-L1470 PolarHBondContact O-N 3.24Å
1467W81.6Confident80.7Confident9 Ų944.5 Ų44.53%0.03422%0.219CC..Hα-helixtrans-65.5-27.8168.5-7599.2000112.7L1470 D1471 Y1501 L1503 I1518 R1520 I1553 Q1556 P1558W1467-L1470 HydrophobicContact CE3-CD2 4.07Å; W1467-L1470 HydrophobicContact CZ3-CD2 4.09Å; W1467-L1470 WeakPolarHBondContact O-CB 3.42Å; W1467-L1470 PolarHBondContact O-N 2.96Å; W1467-D1471 PolarHBondContact O-N 2.91Å; W1467-D1471 VanDerWaalsContact O-OD2 3.1Å; W1467-Y1501 HydrophobicContact CZ3-CE2 4.39Å; W1467-L1503 HydrophobicContact CH2-CD2 3.98Å; W1467-L1503 HydrophobicContact CZ3-CD2 4.36Å; W1467-I1518 HydrophobicContact CH2-CD1 4Å; W1467-I1518 HydrophobicContact CH2-CG2 4.23Å; W1467-I1518 HydrophobicContact CZ2-CD1 4.11Å; W1467-R1520 PolarHBondContact O-NH1 3.4Å; W1467-I1553 VanDerWaalsContact CD1-O 3.26Å; W1467-I1553 HydrophobicContact CZ2-CG2 3.78Å; W1467-I1553 PolarHBondContact NE1-O 2.93Å; W1467-Q1556 PolarHBondContact NE1-O 3.09Å; W1467-P1558 HydrophobicContact CD2-CB 4.32Å; W1467-P1558 HydrophobicContact CD2-CG 3.7Å; W1467-P1558 HydrophobicContact CE3-CB 4.33Å; W1467-P1558 HydrophobicContact CE3-CG 3.91Å; W1467-P1558 HydrophobicContact CG-CG 4.09Å; W1467-P1558 HydrophobicContact CH2-CB 4.06Å; W1467-P1558 HydrophobicContact CH2-CG 4.47Å; W1467-P1558 HydrophobicContact CZ2-CB 4.02Å; W1467-P1558 HydrophobicContact CZ2-CG 4.29Å; W1467-P1558 HydrophobicContact CZ3-CB 4.21Å; W1467-P1558 HydrophobicContact CZ3-CG 4.29Å
1468E82.4Confident81Confident135 Ų13544.8 Ų44.863%0.63122%0.22SC*.Hα-helixtrans-71.8-38.9176.5-59.6-178.7160.100111.5T1466 L1470 D1471 E1472T1466-E1468 PolarHBondContact O-N 3.45Å; T1466-E1468 PolarHBondContact OG1-N 3.47Å; E1468-L1470 PolarHBondContact O-N 2.88Å; E1468-D1471 WeakPolarHBondContact O-CB 3.2Å; E1468-D1471 PolarHBondContact O-N 3.11Å; E1468-D1471 VanDerWaalsContact O-N 3.09Å; E1468-E1472 PolarHBondContact O-N 3.05Å
1469D82.4Confident81.4Confident69 Ų6946.6 Ų46.637%0.36923%0.226SC..Hα-helixtrans-61.6-30.7172.4-63.4-62.9000112.2M1465 T1466 R1473M1465-D1469 HydrophobicContact CG-CB 3.45Å; M1465-D1469 VanDerWaalsContact CG-CB 3.45Å; M1465-D1469 HydrophobicContact SD-CB 4.4Å; T1466-D1469 WeakPolarHBondContact CB-OD2 3.42Å; T1466-D1469 PolarHBondContact N-OD2 2.83Å; T1466-D1469 PolarHBondContact O-N 3.45Å; T1466-D1469 PolarHBondContact OG1-N 3.14Å; T1466-D1469 PolarHBondContact OG1-OD2 3.35Å; D1469-R1473 WeakPolarHBondContact O-CB 3.17Å; D1469-R1473 WeakPolarHBondContact O-CG 3.08Å; D1469-R1473 PolarHBondContact O-N 3.01Å
1470L84.5Confident81.4Confident1 Ų151.1 Ų51.11%0.00524%0.244CC..Hα-helixtrans-69.1-40.9173.5-178.656.9000110.9T1459 L1461 M1465 T1466 W1467 E1468 R1473 L1474 Y1501 P1558 I1578T1459-L1470 HydrophobicContact CG2-CD1 4.22Å; L1461-L1470 HydrophobicContact CD2-CD1 4.03Å; M1465-L1470 HydrophobicContact CE-CB 3.66Å; M1465-L1470 HydrophobicContact CE-CD1 3.8Å; M1465-L1470 HydrophobicContact CE-CG 4.27Å; T1466-L1470 PolarHBondContact O-N 3.24Å; W1467-L1470 HydrophobicContact CE3-CD2 4.07Å; W1467-L1470 HydrophobicContact CZ3-CD2 4.09Å; W1467-L1470 WeakPolarHBondContact O-CB 3.42Å; W1467-L1470 PolarHBondContact O-N 2.96Å; E1468-L1470 PolarHBondContact O-N 2.88Å; L1470-R1473 PolarHBondContact O-N 2.83Å; L1470-L1474 HydrophobicContact CD1-CD1 4.21Å; L1470-L1474 HydrophobicContact CD1-CG 4.13Å; L1470-L1474 HydrophobicContact CG-CD1 4.03Å; L1470-L1474 HydrophobicContact CG-CG 4.39Å; L1470-L1474 VanDerWaalsContact O-CG 3.28Å; L1470-L1474 WeakPolarHBondContact O-CG 3.43Å; L1470-L1474 PolarHBondContact O-N 2.83Å; L1470-Y1501 HydrophobicContact CD2-CE2 4.03Å; L1470-P1558 HydrophobicContact CD2-CB 4.47Å; L1470-P1558 HydrophobicContact CD2-CG 4.22Å; L1470-I1578 HydrophobicContact CD1-CD1 4.32Å
1471D84Confident81.8Confident10 Ų1051.1 Ų51.15%0.05324%0.244CC..Hα-helixtrans-64.6-45.7-179.2-55.2-29.3000111.4W1467 E1468 R1473 L1474 Q1475 Y1501 R1520 F1522W1467-D1471 PolarHBondContact O-N 2.91Å; W1467-D1471 VanDerWaalsContact O-OD2 3.1Å; E1468-D1471 WeakPolarHBondContact O-CB 3.2Å; E1468-D1471 PolarHBondContact O-N 3.11Å; E1468-D1471 VanDerWaalsContact O-N 3.09Å; D1471-R1473 VanDerWaalsContact C-N 3.32Å; D1471-R1473 PolarHBondContact O-N 3.25Å; D1471-L1474 PolarHBondContact O-N 3.27Å; D1471-Q1475 WeakPolarHBondContact O-CG 3.28Å; D1471-Q1475 PolarHBondContact O-N 2.76Å; D1471-Y1501 WeakPolarHBondContact OD1-CE1 3.31Å; D1471-Y1501 PolarHBondContact OD1-OH 2.91Å; D1471-R1520 IonicContact OD1-CZ 3.81Å; D1471-R1520 IonicContact OD1-NH1 2.62Å; D1471-R1520 PolarHBondContact OD1-NH1 3.04Å; D1471-R1520 IonicContact OD2-CZ 3.96Å; D1471-R1520 VanDerWaalsContact OD2-CZ 3.23Å; D1471-R1520 IonicContact OD2-NH1 3.97Å; D1471-R1520 PolarHBondContact OD2-NH1 3.35Å; D1471-R1520 IonicContact OD2-NH2 2.86Å; D1471-R1520 PolarHBondContact OD2-NH2 3.26Å; D1471-F1522 HydrophobicContact CB-CE1 4.14Å; D1471-F1522 HydrophobicContact CB-CZ 3.91Å; D1471-F1522 VanDerWaalsContact CG-CZ 3.42Å; D1471-F1522 WeakPolarHBondContact OD1-CZ 3.36Å
1472E82.8Confident81.9Confident102 Ų10251.2 Ų51.248%0.47724%0.244SC..Hα-helixtrans-64.1-38.6177.4-153.7-147.6-174.900111.3E1468 K1476E1468-E1472 PolarHBondContact O-N 3.05Å; E1472-K1476 HydrophobicContact CG-CD 4.49Å; E1472-K1476 WeakPolarHBondContact O-CB 3.46Å; E1472-K1476 VanDerWaalsContact O-CG 3.25Å; E1472-K1476 WeakPolarHBondContact O-CG 3.19Å; E1472-K1476 PolarHBondContact O-N 3.14Å; E1472-K1476 WeakPolarHBondContact OE1-CE 3.25Å; E1472-K1476 IonicContact OE1-NZ 3.88Å; E1472-K1476 PolarHBondContact OE1-NZ 2.94Å; E1472-K1476 IonicContact OE2-NZ 2.75Å; E1472-K1476 PolarHBondContact OE2-NZ 2.9Å
1473R82.6Confident82Confident49 Ų4951.1 Ų51.119%0.18524%0.244CC..Hα-helixtrans-63.1-44.5172.2-82.8-170.3156.5104.9-8.7112.8H1402 M1465 D1469 L1470 D1471 K1476 L1477H1402-R1473 PolarHBondContact CD2-NE 3.02Å; H1402-R1473 PolarHBondContact NE2-NE 3.28Å; M1465-R1473 PolarHBondContact SD-NH1 3.43Å; D1469-R1473 WeakPolarHBondContact O-CB 3.17Å; D1469-R1473 WeakPolarHBondContact O-CG 3.08Å; D1469-R1473 PolarHBondContact O-N 3.01Å; L1470-R1473 PolarHBondContact O-N 2.83Å; D1471-R1473 VanDerWaalsContact C-N 3.32Å; D1471-R1473 PolarHBondContact O-N 3.25Å; R1473-K1476 PolarHBondContact O-N 2.94Å; R1473-L1477 WeakPolarHBondContact O-CB 3.4Å; R1473-L1477 PolarHBondContact O-N 2.76Å
1474L85.3Confident82.4Confident0 Ų048.2 Ų48.20%023%0.227CC..Hα-helixtrans-66.3-39.8179.2-68.5172.7000111.5V1412 T1459 L1470 D1471 L1477 I1478 L1498 Y1501 I1578 I1580V1412-L1474 HydrophobicContact CG1-CD2 4.03Å; V1412-L1474 HydrophobicContact CG2-CD2 3.89Å; T1459-L1474 HydrophobicContact CG2-CD2 4.46Å; L1470-L1474 HydrophobicContact CD1-CD1 4.21Å; L1470-L1474 HydrophobicContact CD1-CG 4.13Å; L1470-L1474 HydrophobicContact CG-CD1 4.03Å; L1470-L1474 HydrophobicContact CG-CG 4.39Å; L1470-L1474 VanDerWaalsContact O-CG 3.28Å; L1470-L1474 WeakPolarHBondContact O-CG 3.43Å; L1470-L1474 PolarHBondContact O-N 2.83Å; D1471-L1474 PolarHBondContact O-N 3.27Å; L1474-L1477 PolarHBondContact O-N 2.76Å; L1474-I1478 WeakPolarHBondContact O-CG1 3.35Å; L1474-I1478 PolarHBondContact O-N 2.87Å; L1474-L1498 HydrophobicContact CB-CD2 4.13Å; L1474-Y1501 HydrophobicContact CD1-CD1 3.8Å; L1474-Y1501 HydrophobicContact CD1-CD2 4.16Å; L1474-Y1501 HydrophobicContact CD1-CE1 3.73Å; L1474-Y1501 HydrophobicContact CD1-CE2 4.1Å; L1474-Y1501 HydrophobicContact CD1-CG 3.99Å; L1474-I1578 HydrophobicContact CD1-CD1 4.45Å; L1474-I1578 HydrophobicContact CD1-CG2 4.28Å; L1474-I1578 HydrophobicContact CD2-CD1 4.18Å; L1474-I1578 HydrophobicContact CD2-CG2 4.31Å; L1474-I1580 HydrophobicContact CD2-CD1 4.25Å
1475Q83.4Confident82.7Confident101 Ų10142.5 Ų42.547%0.47220%0.201SC..Hα-helixtrans-63.5-45.9173.5-70.917917.200112D1471 L1477 I1478 Q1479 L1498D1471-Q1475 WeakPolarHBondContact O-CG 3.28Å; D1471-Q1475 PolarHBondContact O-N 2.76Å; Q1475-L1477 VanDerWaalsContact C-N 3.33Å; Q1475-L1477 PolarHBondContact O-N 2.89Å; Q1475-I1478 PolarHBondContact O-N 3.28Å; Q1475-Q1479 PolarHBondContact O-N 2.93Å; Q1475-L1498 HydrophobicContact CG-CB 4.09Å; Q1475-L1498 HydrophobicContact CG-CD2 4.25Å
1476K82.3Confident82.6Confident83 Ų8342.4 Ų42.436%0.36120%0.2SC..Hα-helixtrans-58.6-43.8174.4-75.3168-178.61720111.8E1472 R1473 I1478 Q1479 Y1480E1472-K1476 HydrophobicContact CG-CD 4.49Å; E1472-K1476 WeakPolarHBondContact O-CB 3.46Å; E1472-K1476 VanDerWaalsContact O-CG 3.25Å; E1472-K1476 WeakPolarHBondContact O-CG 3.19Å; E1472-K1476 PolarHBondContact O-N 3.14Å; E1472-K1476 WeakPolarHBondContact OE1-CE 3.25Å; E1472-K1476 IonicContact OE1-NZ 3.88Å; E1472-K1476 PolarHBondContact OE1-NZ 2.94Å; E1472-K1476 IonicContact OE2-NZ 2.75Å; E1472-K1476 PolarHBondContact OE2-NZ 2.9Å; R1473-K1476 PolarHBondContact O-N 2.94Å; K1476-I1478 PolarHBondContact O-N 2.88Å; K1476-Q1479 PolarHBondContact O-N 3.4Å; K1476-Y1480 HydrophobicContact CB-CD2 4.4Å; K1476-Y1480 HydrophobicContact CB-CE2 4.04Å; K1476-Y1480 WeakPolarHBondContact O-CD2 3.32Å; K1476-Y1480 PolarHBondContact O-N 3.37Å
1477L83.5Confident82.1Confident16 Ų1642 Ų428%0.08420%0.199CC..Hα-helixtrans-62.9-41.8178.5-172.867.8000112.4V1412 I1456 R1473 L1474 Q1475 Q1479 Y1480 Y1481V1412-L1477 HydrophobicContact CB-CD2 3.85Å; V1412-L1477 HydrophobicContact CG1-CD2 4.04Å; V1412-L1477 HydrophobicContact CG2-CD2 3.77Å; I1456-L1477 HydrophobicContact CG2-CD2 4.33Å; I1456-L1477 HydrophobicContact CG2-CG 4.05Å; R1473-L1477 WeakPolarHBondContact O-CB 3.4Å; R1473-L1477 PolarHBondContact O-N 2.76Å; L1474-L1477 PolarHBondContact O-N 2.76Å; Q1475-L1477 VanDerWaalsContact C-N 3.33Å; Q1475-L1477 PolarHBondContact O-N 2.89Å; L1477-Q1479 VanDerWaalsContact C-N 3.34Å; L1477-Q1479 PolarHBondContact O-N 3.2Å; L1477-Y1480 PolarHBondContact O-N 2.86Å; L1477-Y1481 WeakPolarHBondContact O-CB 3.48Å; L1477-Y1481 PolarHBondContact O-N 3.38Å
1478I83.5Confident81.8Confident5 Ų547 Ų473%0.02623%0.226CC..Hα-helixtrans-58.4-47.1172-68.4162.7000110.2L1474 Q1475 K1476 Y1481 I1482 L1496 L1498 I1580 L1582L1474-I1478 WeakPolarHBondContact O-CG1 3.35Å; L1474-I1478 PolarHBondContact O-N 2.87Å; Q1475-I1478 PolarHBondContact O-N 3.28Å; K1476-I1478 PolarHBondContact O-N 2.88Å; I1478-Y1481 PolarHBondContact O-N 3.43Å; I1478-I1482 HydrophobicContact CG2-CD1 3.71Å; I1478-I1482 HydrophobicContact CG2-CG1 4.44Å; I1478-I1482 WeakPolarHBondContact O-CG1 3.33Å; I1478-I1482 PolarHBondContact O-N 3.17Å; I1478-L1496 HydrophobicContact CG2-CD2 4.31Å; I1478-L1498 HydrophobicContact CD1-CD1 4.29Å; I1478-I1580 HydrophobicContact CD1-CD1 4.1Å; I1478-I1580 HydrophobicContact CD1-CG2 4.32Å; I1478-I1580 HydrophobicContact CG1-CD1 4.25Å; I1478-L1582 HydrophobicContact CD1-CD2 3.96Å
1479Q82.3Confident81.6Confident64 Ų6442.6 Ų42.630%0.29921%0.207SC..Hα-helixtrans-66.1-41.2-178.5-167.763.858.800112.7Q1475 K1476 L1477 Y1481 I1482 N1483Q1475-Q1479 PolarHBondContact O-N 2.93Å; K1476-Q1479 PolarHBondContact O-N 3.4Å; L1477-Q1479 VanDerWaalsContact C-N 3.34Å; L1477-Q1479 PolarHBondContact O-N 3.2Å; Q1479-Y1481 VanDerWaalsContact C-N 3.32Å; Q1479-Y1481 PolarHBondContact O-N 2.84Å; Q1479-I1482 PolarHBondContact O-N 3.15Å; Q1479-N1483 PolarHBondContact NE2-OD1 2.89Å; Q1479-N1483 WeakPolarHBondContact O-CB 3.23Å; Q1479-N1483 PolarHBondContact O-N 3.05Å; Q1479-N1483 PolarHBondContact O-OD1 3.48Å
1480Y80.4Confident81.4Confident97 Ų9742.1 Ų42.138%0.3820%0.203SC..Hα-helixtrans-62.2-39.2174.7-69.7-55.9000112V1393 K1476 L1477 N1483 F1484V1393-Y1480 HydrophobicContact CG1-CD1 4.14Å; V1393-Y1480 HydrophobicContact CG2-CD1 4.4Å; K1476-Y1480 HydrophobicContact CB-CD2 4.4Å; K1476-Y1480 HydrophobicContact CB-CE2 4.04Å; K1476-Y1480 WeakPolarHBondContact O-CD2 3.32Å; K1476-Y1480 PolarHBondContact O-N 3.37Å; L1477-Y1480 PolarHBondContact O-N 2.86Å; Y1480-N1483 PolarHBondContact O-N 3.49Å; Y1480-F1484 PolarHBondContact O-N 2.99Å
1481Y83.6Confident81.1Confident0 Ų042.1 Ų42.10%020%0.203CC..Hα-helixtrans-65.7-43.4175.8-179.9-89000112.5L1398 I1456 L1477 I1478 Q1479 F1484 L1485 F1614 R1773 I1776L1398-Y1481 HydrophobicContact CD2-CD2 4.13Å; I1456-Y1481 HydrophobicContact CB-CD2 4.12Å; I1456-Y1481 HydrophobicContact CB-CE2 4.43Å; I1456-Y1481 HydrophobicContact CB-CG 4.39Å; I1456-Y1481 HydrophobicContact CD1-CD1 4.04Å; I1456-Y1481 HydrophobicContact CD1-CE1 4.18Å; I1456-Y1481 HydrophobicContact CD1-CG 4.32Å; I1456-Y1481 HydrophobicContact CG1-CD1 4.23Å; I1456-Y1481 HydrophobicContact CG1-CD2 4.07Å; I1456-Y1481 HydrophobicContact CG1-CE1 4.19Å; I1456-Y1481 HydrophobicContact CG1-CE2 4.03Å; I1456-Y1481 HydrophobicContact CG1-CG 4.19Å; I1456-Y1481 HydrophobicContact CG2-CD1 4.5Å; I1456-Y1481 HydrophobicContact CG2-CD2 3.89Å; I1456-Y1481 HydrophobicContact CG2-CG 3.82Å; L1477-Y1481 WeakPolarHBondContact O-CB 3.48Å; L1477-Y1481 PolarHBondContact O-N 3.38Å; I1478-Y1481 PolarHBondContact O-N 3.43Å; Q1479-Y1481 VanDerWaalsContact C-N 3.32Å; Q1479-Y1481 PolarHBondContact O-N 2.84Å; Y1481-F1484 PolarHBondContact O-N 3.28Å; Y1481-L1485 HydrophobicContact CD1-CD1 3.86Å; Y1481-L1485 HydrophobicContact CD1-CG 4.31Å; Y1481-L1485 HydrophobicContact CE1-CD1 3.29Å; Y1481-L1485 HydrophobicContact CE1-CG 3.98Å; Y1481-L1485 WeakPolarHBondContact O-CG 3.49Å; Y1481-L1485 PolarHBondContact O-N 3.45Å; Y1481-F1614 AromaticContact CD1-CE2 3.93Å; Y1481-F1614 HydrophobicContact CD1-CE2 3.93Å; Y1481-F1614 HydrophobicContact CD1-CZ 4.12Å; Y1481-F1614 AromaticContact CE1-CE2 3.64Å; Y1481-F1614 HydrophobicContact CE1-CE2 3.64Å; Y1481-F1614 AromaticContact CE1-CZ 3.53Å; Y1481-F1614 HydrophobicContact CE1-CZ 3.53Å; Y1481-R1773 PolarHBondContact OH-NE 2.71Å; Y1481-I1776 HydrophobicContact CD2-CD1 3.91Å; Y1481-I1776 HydrophobicContact CD2-CG2 4.01Å; Y1481-I1776 HydrophobicContact CE2-CB 4.39Å; Y1481-I1776 HydrophobicContact CE2-CD1 3.78Å; Y1481-I1776 HydrophobicContact CE2-CG2 3.79Å
1482I83.1Confident80.7Confident4 Ų446.1 Ų46.12%0.02122%0.221CC..Hα-helixtrans-61.4-47.9174.1-67.8165.2000110.7I1478 Q1479 F1484 L1485 D1486 L1493 L1496I1478-I1482 HydrophobicContact CG2-CD1 3.71Å; I1478-I1482 HydrophobicContact CG2-CG1 4.44Å; I1478-I1482 WeakPolarHBondContact O-CG1 3.33Å; I1478-I1482 PolarHBondContact O-N 3.17Å; Q1479-I1482 PolarHBondContact O-N 3.15Å; I1482-F1484 PolarHBondContact O-N 2.86Å; I1482-L1485 PolarHBondContact O-N 2.64Å; I1482-D1486 PolarHBondContact O-N 2.88Å; I1482-L1493 HydrophobicContact CD1-CB 4.15Å; I1482-L1493 HydrophobicContact CG2-CB 3.99Å; I1482-L1496 HydrophobicContact CD1-CB 4.11Å; I1482-L1496 HydrophobicContact CD1-CD2 3.79Å
1483N80.9Confident80.3Confident55 Ų5541.3 Ų41.329%0.29420%0.199SC..Hα-helixtrans-63.7-25.7-179.6-68.81000113.2V1393 Q1479 Y1480 P1487V1393-N1483 HydrophobicContact CG2-CB 3.85Å; Q1479-N1483 PolarHBondContact NE2-OD1 2.89Å; Q1479-N1483 WeakPolarHBondContact O-CB 3.23Å; Q1479-N1483 PolarHBondContact O-N 3.05Å; Q1479-N1483 PolarHBondContact O-OD1 3.48Å; Y1480-N1483 PolarHBondContact O-N 3.49Å; N1483-P1487 WeakPolarHBondContact O-CA 3.45Å
1484F80.3Confident79.3Confident19 Ų1945.9 Ų45.98%0.08322%0.222CC..Hα-helixtrans-80.4-42.5172.6-170-79.5000112.2L1395 L1398 Y1480 Y1481 I1482 D1486 N1772 L1775 I1776L1395-F1484 HydrophobicContact CB-CE2 4.43Å; L1395-F1484 HydrophobicContact CD1-CZ 4.39Å; L1395-F1484 HydrophobicContact CD2-CD2 4.08Å; L1395-F1484 HydrophobicContact CD2-CE1 3.91Å; L1395-F1484 HydrophobicContact CD2-CE2 3.43Å; L1395-F1484 VanDerWaalsContact CD2-CE2 3.43Å; L1395-F1484 HydrophobicContact CD2-CZ 3.32Å; L1395-F1484 HydrophobicContact CG-CD2 4.49Å; L1395-F1484 HydrophobicContact CG-CE2 3.53Å; L1395-F1484 HydrophobicContact CG-CZ 3.61Å; L1398-F1484 HydrophobicContact CD1-CB 4.21Å; L1398-F1484 HydrophobicContact CD1-CD2 4.28Å; L1398-F1484 HydrophobicContact CD1-CG 4.43Å; Y1480-F1484 PolarHBondContact O-N 2.99Å; Y1481-F1484 PolarHBondContact O-N 3.28Å; I1482-F1484 PolarHBondContact O-N 2.86Å; F1484-D1486 VanDerWaalsContact C-N 3.33Å; F1484-D1486 PolarHBondContact O-N 2.86Å; F1484-N1772 HydrophobicContact CD1-CB 4.33Å; F1484-N1772 HydrophobicContact CE1-CB 4.09Å; F1484-L1775 HydrophobicContact CZ-CD2 4.42Å; F1484-I1776 HydrophobicContact CB-CD1 4.23Å; F1484-I1776 HydrophobicContact CD1-CD1 3.4Å; F1484-I1776 VanDerWaalsContact CD1-CD1 3.4Å; F1484-I1776 HydrophobicContact CD1-CG1 3.49Å; F1484-I1776 VanDerWaalsContact CD1-CG1 3.49Å; F1484-I1776 HydrophobicContact CE1-CD1 4.15Å; F1484-I1776 HydrophobicContact CE1-CG1 3.8Å; F1484-I1776 HydrophobicContact CG-CD1 4.09Å; F1484-I1776 HydrophobicContact CG-CG1 4.21Å
1485L81.5Confident77.9Confident3 Ų348.5 Ų48.52%0.01624%0.24CC..Hα-helixtrans-59.5-45.9176.8-75.6-177.5000111.9Y1481 I1482 L1617 N1772 R1773 I1776Y1481-L1485 HydrophobicContact CD1-CD1 3.86Å; Y1481-L1485 HydrophobicContact CD1-CG 4.31Å; Y1481-L1485 HydrophobicContact CE1-CD1 3.29Å; Y1481-L1485 HydrophobicContact CE1-CG 3.98Å; Y1481-L1485 WeakPolarHBondContact O-CG 3.49Å; Y1481-L1485 PolarHBondContact O-N 3.45Å; I1482-L1485 PolarHBondContact O-N 2.64Å; L1485-L1617 HydrophobicContact CD1-CD2 4.06Å; L1485-N1772 HydrophobicContact CD2-CB 4.41Å; L1485-N1772 PolarHBondContact O-ND2 3.49Å; L1485-R1773 VanDerWaalsContact CD2-CA 3.48Å; L1485-R1773 HydrophobicContact CD2-CB 3.6Å; L1485-R1773 HydrophobicContact CD2-CG 4.46Å; L1485-I1776 HydrophobicContact CD2-CD1 3.86Å; L1485-I1776 HydrophobicContact CG-CD1 4.2Å
1486D80.1Confident77.2Confident6 Ų644.3 Ų44.33%0.03222%0.221CC..  trans-135.586.7-176.9-176.5-0.2000110.8I1482 F1484 N1488 N1489 Q1490 L1491 R1769I1482-D1486 PolarHBondContact O-N 2.88Å; F1484-D1486 VanDerWaalsContact C-N 3.33Å; F1484-D1486 PolarHBondContact O-N 2.86Å; D1486-N1488 PolarHBondContact O-N 2.87Å; D1486-N1488 WeakPolarHBondContact OD1-CA 3.28Å; D1486-N1488 PolarHBondContact OD1-N 2.78Å; D1486-N1489 PolarHBondContact O-N 3.06Å; D1486-N1489 VanDerWaalsContact O-N 3.14Å; D1486-N1489 PolarHBondContact OD1-N 2.8Å; D1486-Q1490 PolarHBondContact OD1-N 2.99Å; D1486-Q1490 WeakPolarHBondContact OD2-CA 3.36Å; D1486-Q1490 PolarHBondContact OD2-N 2.75Å; D1486-L1491 HydrophobicContact CB-CD1 3.98Å; D1486-L1491 HydrophobicContact CB-CG 4.19Å; D1486-L1491 WeakPolarHBondContact OD2-CG 3.25Å; D1486-L1491 PolarHBondContact OD2-N 3.06Å; D1486-R1769 HydrophobicContact CB-CG 4.48Å; D1486-R1769 IonicContact OD2-NH1 2.75Å
1487P73.6Confident76.5Confident55 Ų5544.9 Ų44.936%0.35723%0.225SC..THydrogen-bonded Turntrans-68.8-9.2177.829.3-36.1000113.5N1483N1483-P1487 WeakPolarHBondContact O-CA 3.45Å
1488N75.7Confident76.1Confident114 Ų11444.5 Ų44.561%0.6122%0.223SC*.THydrogen-bonded Turntrans-96.8-8.3176.1-63.4-20.2000112.4D1486 Q1490D1486-N1488 PolarHBondContact O-N 2.87Å; D1486-N1488 WeakPolarHBondContact OD1-CA 3.28Å; D1486-N1488 PolarHBondContact OD1-N 2.78Å; N1488-Q1490 HydrophobicContact CB-CG 3.88Å; N1488-Q1490 PolarHBondContact O-N 2.87Å
1489N78.6Confident75.6Confident42 Ų4246.2 Ų46.223%0.22523%0.231CC..  trans52.435.1-178.3-171.228000114.6D1486 L1491 Q1492 E1494D1486-N1489 PolarHBondContact O-N 3.06Å; D1486-N1489 VanDerWaalsContact O-N 3.14Å; D1486-N1489 PolarHBondContact OD1-N 2.8Å; N1489-L1491 VanDerWaalsContact C-N 3.27Å; N1489-L1491 PolarHBondContact O-N 2.92Å; N1489-Q1492 PolarHBondContact O-N 3.02Å; N1489-E1494 WeakPolarHBondContact ND2-CG 3.43Å; N1489-E1494 PolarHBondContact ND2-OE1 3.26Å
1490Q77.7Confident75.3Confident59 Ų5943.4 Ų43.428%0.27622%0.219SC..THydrogen-bonded Turntrans-68.7-26.4175-64.1165.5-34.600112.3D1486 N1488 Q1492 E1765D1486-Q1490 PolarHBondContact OD1-N 2.99Å; D1486-Q1490 WeakPolarHBondContact OD2-CA 3.36Å; D1486-Q1490 PolarHBondContact OD2-N 2.75Å; N1488-Q1490 HydrophobicContact CB-CG 3.88Å; N1488-Q1490 PolarHBondContact O-N 2.87Å; Q1490-Q1492 PolarHBondContact O-N 3.27Å; Q1490-E1765 VanDerWaalsContact NE2-CD 3.29Å; Q1490-E1765 PolarHBondContact NE2-OE1 3.44Å; Q1490-E1765 PolarHBondContact OE1-OE1 3.49Å; Q1490-E1765 PolarHBondContact OE1-OE2 3.07Å
1491L77.4Confident75.4Confident1 Ų138.9 Ų38.91%0.00520%0.201CC..THydrogen-bonded Turntrans-67-20.3172.3-64.8177.6000113.2D1486 N1489 L1493 L1617 L1620D1486-L1491 HydrophobicContact CB-CD1 3.98Å; D1486-L1491 HydrophobicContact CB-CG 4.19Å; D1486-L1491 WeakPolarHBondContact OD2-CG 3.25Å; D1486-L1491 PolarHBondContact OD2-N 3.06Å; N1489-L1491 VanDerWaalsContact C-N 3.27Å; N1489-L1491 PolarHBondContact O-N 2.92Å; L1491-L1493 HydrophobicContact CB-CD1 3.87Å; L1491-L1493 HydrophobicContact CB-CG 3.89Å; L1491-L1493 HydrophobicContact CD1-CD1 4Å; L1491-L1617 HydrophobicContact CD1-CD2 4.26Å; L1491-L1620 WeakPolarHBondContact O-CB 3.44Å
1492Q76.9Confident75.4Confident93 Ų9340.7 Ų40.744%0.43521%0.209SC..  trans57.343.4180-57.8-171.8-23.800114.3N1489 Q1490N1489-Q1492 PolarHBondContact O-N 3.02Å; Q1490-Q1492 PolarHBondContact O-N 3.27Å
1493L74.1Confident75.4Confident2 Ų240.6 Ų40.61%0.0121%0.209CC..  trans-95.414.7-172.8-68.1175.7000114.9I1482 L1491 S1495 L1496 K1610 C1613 F1614I1482-L1493 HydrophobicContact CD1-CB 4.15Å; I1482-L1493 HydrophobicContact CG2-CB 3.99Å; L1491-L1493 HydrophobicContact CB-CD1 3.87Å; L1491-L1493 HydrophobicContact CB-CG 3.89Å; L1491-L1493 HydrophobicContact CD1-CD1 4Å; L1493-S1495 PolarHBondContact O-N 3.14Å; L1493-L1496 HydrophobicContact CD2-CD1 4.46Å; L1493-L1496 WeakPolarHBondContact O-CB 3.47Å; L1493-L1496 PolarHBondContact O-N 2.84Å; L1493-L1496 VanDerWaalsContact O-N 3.12Å; L1493-K1610 HydrophobicContact CD2-CB 4.17Å; L1493-C1613 HydrophobicContact CD2-CB 4.21Å; L1493-F1614 HydrophobicContact CD1-CB 4.43Å; L1493-F1614 HydrophobicContact CD1-CD2 4.41Å
1494E60.6Low75.5Confident145 Ų14538.5 Ų38.568%0.67820%0.198SC*.THydrogen-bonded Turntrans-57.4-6.4178-59.4-176.2149.900115.5N1489N1489-E1494 WeakPolarHBondContact ND2-CG 3.43Å; N1489-E1494 PolarHBondContact ND2-OE1 3.26Å
1495S57.6Low75.7Confident54 Ų5437.7 Ų37.738%0.37819%0.194SC..THydrogen-bonded Turntrans-122.328.1-179.656.90000112.8L1493 E1497 K1610L1493-S1495 PolarHBondContact O-N 3.14Å; S1495-E1497 VanDerWaalsContact C-N 3.35Å; S1495-E1497 PolarHBondContact O-N 3.4Å; S1495-E1497 VanDerWaalsContact O-N 3.09Å; S1495-K1610 PolarHBondContact O-NZ 3.36Å; S1495-K1610 VanDerWaalsContact OG-CE 3.26Å; S1495-K1610 WeakPolarHBondContact OG-CE 3.39Å; S1495-K1610 PolarHBondContact OG-NZ 3.18Å; S1495-K1610 VanDerWaalsContact OG-NZ 3.16Å
1496L67.2Low75.5Confident14 Ų1438.4 Ų38.47%0.07320%0.199CC..  trans-82.676.5178-162.972000111.2I1478 I1482 L1493 L1582 K1610 F1614I1478-L1496 HydrophobicContact CG2-CD2 4.31Å; I1482-L1496 HydrophobicContact CD1-CB 4.11Å; I1482-L1496 HydrophobicContact CD1-CD2 3.79Å; L1493-L1496 HydrophobicContact CD2-CD1 4.46Å; L1493-L1496 WeakPolarHBondContact O-CB 3.47Å; L1493-L1496 PolarHBondContact O-N 2.84Å; L1493-L1496 VanDerWaalsContact O-N 3.12Å; L1496-L1582 HydrophobicContact CD1-CD1 4.28Å; L1496-L1582 HydrophobicContact CD2-CD1 3.82Å; L1496-L1582 HydrophobicContact CD2-CD2 4.26Å; L1496-L1582 HydrophobicContact CG-CD1 4.15Å; L1496-L1582 HydrophobicContact CG-CD2 4.21Å; L1496-K1610 HydrophobicContact CD1-CB 3.88Å; L1496-K1610 HydrophobicContact CD1-CD 4.43Å; L1496-F1614 HydrophobicContact CD2-CD2 3.83Å; L1496-F1614 HydrophobicContact CD2-CE2 4.4Å; L1496-F1614 HydrophobicContact CD2-CG 4.37Å
1497E68.6Low75.4Confident95 Ų9538.5 Ų38.544%0.44420%0.199SC..  trans-69.3151.3-176.4-70.8174.9-123.600114.2S1495 K1583S1495-E1497 VanDerWaalsContact C-N 3.35Å; S1495-E1497 PolarHBondContact O-N 3.4Å; S1495-E1497 VanDerWaalsContact O-N 3.09Å; E1497-K1583 HydrophobicContact CB-CB 4.12Å; E1497-K1583 HydrophobicContact CB-CD 3.73Å; E1497-K1583 HydrophobicContact CG-CD 4.31Å; E1497-K1583 PolarHBondContact O-N 3.08Å; E1497-K1583 IonicContact OE1-NZ 2.75Å; E1497-K1583 PolarHBondContact OE1-NZ 3.1Å; E1497-K1583 IonicContact OE2-NZ 2.83Å; E1497-K1583 PolarHBondContact OE2-NZ 2.94Å
1498L75.3Confident74.9Confident8 Ų838 Ų384%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-77.8118.2172.4-176.364.6000110L1474 Q1475 I1478 Y1501 F1522 I1580L1474-L1498 HydrophobicContact CB-CD2 4.13Å; Q1475-L1498 HydrophobicContact CG-CB 4.09Å; Q1475-L1498 HydrophobicContact CG-CD2 4.25Å; I1478-L1498 HydrophobicContact CD1-CD1 4.29Å; L1498-Y1501 HydrophobicContact CD1-CD1 4.31Å; L1498-Y1501 HydrophobicContact CD2-CD1 4.01Å; L1498-Y1501 HydrophobicContact CD2-CE1 4.16Å; L1498-Y1501 HydrophobicContact CG-CD1 4.4Å; L1498-F1522 HydrophobicContact CB-CE2 4.45Å; L1498-F1522 HydrophobicContact CD2-CE2 3.58Å; L1498-F1522 HydrophobicContact CD2-CZ 3.81Å; L1498-F1522 HydrophobicContact CG-CD2 4.21Å; L1498-F1522 HydrophobicContact CG-CE2 3.63Å; L1498-F1522 HydrophobicContact CG-CZ 4.34Å; L1498-F1522 WeakPolarHBondContact O-CD2 3.18Å; L1498-I1580 HydrophobicContact CD1-CB 4.48Å; L1498-I1580 HydrophobicContact CD1-CD1 4.39Å; L1498-I1580 HydrophobicContact CD1-CG1 4.33Å; L1498-I1580 HydrophobicContact CD1-CG2 3.59Å
1499Q71.3Confident74.1Confident41 Ų4136 Ų3619%0.19218%0.182CC..EExtended strand (participates in β ladder)trans-99-39.7-179.2-178.4-175.4-21.700112.7F1522 H1581 L1582 K1583 G1584 T1586Q1499-F1522 WeakPolarHBondContact O-CD2 3.44Å; Q1499-F1522 PolarHBondContact O-N 3Å; Q1499-H1581 PolarHBondContact N-O 2.94Å; Q1499-L1582 PolarHBondContact OE1-O 3.43Å; Q1499-K1583 HydrophobicContact CB-CB 4.31Å; Q1499-G1584 VanDerWaalsContact OE1-N 3.13Å; Q1499-T1586 PolarHBondContact NE2-OG1 2.85Å
1500A77.5Confident72.8Confident5 Ų543.2 Ų43.24%0.04122%0.215CC..EExtended strand (participates in β ladder)trans-158.5165.8171.700000110.2R1520 H1581A1500-R1520 CarbonylContact C-O 3.26Å; A1500-R1520 WeakPolarHBondContact CA-O 3.25Å; A1500-R1520 WeakPolarHBondContact CB-O 3.41Å; A1500-H1581 HydrophobicContact CB-CB 4.33Å; A1500-H1581 PolarHBondContact N-O 3.22Å; A1500-H1581 VanDerWaalsContact N-O 3.07Å; A1500-H1581 PolarHBondContact O-N 2.95Å; A1500-H1581 VanDerWaalsContact O-O 3.08Å
1501Y81.9Confident71.6Confident1 Ų146.1 Ų46.10%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-146.6152.3162.959.9-90.9000112W1467 L1470 D1471 L1474 L1498 R1520 F1522 I1578 Q1579W1467-Y1501 HydrophobicContact CZ3-CE2 4.39Å; L1470-Y1501 HydrophobicContact CD2-CE2 4.03Å; D1471-Y1501 WeakPolarHBondContact OD1-CE1 3.31Å; D1471-Y1501 PolarHBondContact OD1-OH 2.91Å; L1474-Y1501 HydrophobicContact CD1-CD1 3.8Å; L1474-Y1501 HydrophobicContact CD1-CD2 4.16Å; L1474-Y1501 HydrophobicContact CD1-CE1 3.73Å; L1474-Y1501 HydrophobicContact CD1-CE2 4.1Å; L1474-Y1501 HydrophobicContact CD1-CG 3.99Å; L1498-Y1501 HydrophobicContact CD1-CD1 4.31Å; L1498-Y1501 HydrophobicContact CD2-CD1 4.01Å; L1498-Y1501 HydrophobicContact CD2-CE1 4.16Å; L1498-Y1501 HydrophobicContact CG-CD1 4.4Å; Y1501-R1520 HydrophobicContact CE1-CB 4.46Å; Y1501-R1520 HydrophobicContact CE2-CB 4.27Å; Y1501-R1520 PolarHBondContact N-O 2.9Å; Y1501-R1520 PolarHBondContact O-N 3.14Å; Y1501-R1520 PolarHBondContact OH-NH1 3.29Å; Y1501-F1522 HydrophobicContact CD1-CE2 4.09Å; Y1501-F1522 AromaticContact CE1-CE2 3.96Å; Y1501-F1522 HydrophobicContact CE1-CE2 3.96Å; Y1501-F1522 AromaticContact CE1-CZ 3.97Å; Y1501-F1522 HydrophobicContact CE1-CZ 3.97Å; Y1501-I1578 HydrophobicContact CD2-CG2 4.02Å; Y1501-I1578 HydrophobicContact CG-CG2 4.17Å; Y1501-Q1579 CarbonylContact C-O 2.75Å; Y1501-Q1579 WeakPolarHBondContact CA-O 3.4Å; Y1501-Q1579 WeakPolarHBondContact CB-O 3.49Å
1502Q82.9Confident70.3Confident38 Ų3851.8 Ų51.818%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-111111.6176.1-176.9174.1-36.400109.2N1504 S1517 I1518 V1519 I1578 Q1579Q1502-N1504 WeakPolarHBondContact CG-OD1 3.39Å; Q1502-N1504 PolarHBondContact NE2-OD1 3.11Å; Q1502-S1517 PolarHBondContact NE2-OG 2.98Å; Q1502-I1518 CarbonylContact C-O 3.59Å; Q1502-I1518 VanDerWaalsContact CA-O 3.28Å; Q1502-I1518 WeakPolarHBondContact CA-O 3.41Å; Q1502-V1519 HydrophobicContact CB-CG2 4.13Å; Q1502-V1519 HydrophobicContact CG-CG2 3.85Å; Q1502-I1578 CarbonylContact O-C 3.57Å; Q1502-I1578 WeakPolarHBondContact O-CA 3.41Å; Q1502-Q1579 HydrophobicContact CB-CB 4.42Å; Q1502-Q1579 PolarHBondContact N-O 2.95Å; Q1502-Q1579 PolarHBondContact O-N 3.26Å
1503L84.2Confident69.7Low2 Ų250.5 Ų50.51%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-83.8110.3171.6174.465.6000108.4V1410 W1467 S1517 I1518 W1561 I1562 I1578V1410-L1503 HydrophobicContact CG1-CD1 4.01Å; W1467-L1503 HydrophobicContact CH2-CD2 3.98Å; W1467-L1503 HydrophobicContact CZ3-CD2 4.36Å; L1503-S1517 CarbonylContact O-C 3.55Å; L1503-S1517 WeakPolarHBondContact O-CA 3.1Å; L1503-I1518 PolarHBondContact N-O 3.19Å; L1503-I1518 PolarHBondContact O-N 3.37Å; L1503-W1561 HydrophobicContact CD2-CE3 3.86Å; L1503-W1561 HydrophobicContact CD2-CZ3 3.78Å; L1503-W1561 HydrophobicContact CG-CZ3 3.96Å; L1503-I1562 HydrophobicContact CD2-CD1 4.43Å; L1503-I1562 HydrophobicContact CD2-CG1 4.48Å; L1503-I1578 HydrophobicContact CB-CG1 4.33Å; L1503-I1578 HydrophobicContact CD1-CD1 4.17Å; L1503-I1578 HydrophobicContact CD1-CG1 3.62Å
1504N83.6Confident69.4Low12 Ų1254 Ų546%0.06428%0.278CS..EExtended strand (participates in β ladder)trans-99.8124.2178-62.9-49.9000110.8Q1502 T1506 Q1516 S1517 S1577 Q1579Q1502-N1504 WeakPolarHBondContact CG-OD1 3.39Å; Q1502-N1504 PolarHBondContact NE2-OD1 3.11Å; N1504-T1506 HydrophobicContact CB-CG2 4.11Å; N1504-Q1516 WeakPolarHBondContact CA-O 3.22Å; N1504-S1517 VanDerWaalsContact OD1-CB 3.22Å; N1504-S1517 WeakPolarHBondContact OD1-CB 3.12Å; N1504-S1577 PolarHBondContact N-O 2.94Å; N1504-S1577 PolarHBondContact O-N 3.44Å; N1504-Q1579 PolarHBondContact ND2-OE1 3.16Å
1505F82.5Confident70Confident1 Ų151.6 Ų51.60%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-96.4118159.3177.5-88.8000107.9L1507 Q1516 W1561 I1562 M1565 I1566 A1571 Y1574 L1576F1505-L1507 HydrophobicContact CE1-CB 4.19Å; F1505-L1507 HydrophobicContact CE1-CD1 4.39Å; F1505-Q1516 HydrophobicContact CB-CB 4.29Å; F1505-Q1516 HydrophobicContact CD1-CB 4.47Å; F1505-Q1516 PolarHBondContact N-O 3.11Å; F1505-Q1516 PolarHBondContact O-N 3.2Å; F1505-W1561 HydrophobicContact CB-CH2 3.92Å; F1505-W1561 HydrophobicContact CB-CZ3 4.15Å; F1505-I1562 HydrophobicContact CD2-CG2 4.25Å; F1505-M1565 HydrophobicContact CD1-CB 4.08Å; F1505-M1565 HydrophobicContact CD2-CB 4.22Å; F1505-M1565 HydrophobicContact CE1-CB 4.16Å; F1505-M1565 HydrophobicContact CE2-CB 4.31Å; F1505-M1565 HydrophobicContact CG-CB 4.11Å; F1505-M1565 HydrophobicContact CZ-CB 4.28Å; F1505-I1566 HydrophobicContact CE2-CG1 3.74Å; F1505-I1566 HydrophobicContact CZ-CG1 4.2Å; F1505-A1571 HydrophobicContact CZ-CB 3.86Å; F1505-Y1574 HydrophobicContact CD2-CD2 4.13Å; F1505-Y1574 HydrophobicContact CD2-CG 4.38Å; F1505-Y1574 HydrophobicContact CE2-CD1 4.16Å; F1505-Y1574 AromaticContact CE2-CD2 3.61Å; F1505-Y1574 HydrophobicContact CE2-CD2 3.61Å; F1505-Y1574 HydrophobicContact CE2-CE2 4.36Å; F1505-Y1574 AromaticContact CE2-CG 3.51Å; F1505-Y1574 HydrophobicContact CE2-CG 3.51Å; F1505-Y1574 HydrophobicContact CZ-CD1 4.39Å; F1505-Y1574 HydrophobicContact CZ-CD2 4.45Å; F1505-Y1574 AromaticContact CZ-CG 3.91Å; F1505-Y1574 HydrophobicContact CZ-CG 3.91Å; F1505-L1576 HydrophobicContact CB-CD2 4.34Å; F1505-L1576 HydrophobicContact CD2-CD2 3.91Å
1506T78.8Confident70.8Confident19 Ų1950.3 Ų50.312%0.11726%0.261CS..EExtended strand (participates in β ladder)trans-118.7131.8-178.969.10000111.1N1504 T1515 Y1574 T1575N1504-T1506 HydrophobicContact CB-CG2 4.11Å; T1506-T1515 HydrophobicContact CG2-CG2 3.61Å; T1506-Y1574 CarbonylContact O-C 3.43Å; T1506-Y1574 VanDerWaalsContact O-CA 3.28Å; T1506-Y1574 WeakPolarHBondContact O-CA 3.43Å; T1506-T1575 PolarHBondContact N-O 2.81Å; T1506-T1575 PolarHBondContact O-N 2.95Å; T1506-T1575 PolarHBondContact OG1-O 3.47Å; T1506-T1575 PolarHBondContact OG1-OG1 3.06Å
1507L78.1Confident71.2Confident7 Ų751.2 Ų51.24%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-123.3140.8-172.5-174.578.3000109.7F1505 E1509 I1513 K1514 Y1569 A1571F1505-L1507 HydrophobicContact CE1-CB 4.19Å; F1505-L1507 HydrophobicContact CE1-CD1 4.39Å; L1507-E1509 HydrophobicContact CD2-CG 3.76Å; L1507-E1509 HydrophobicContact CG-CG 4.06Å; L1507-I1513 WeakPolarHBondContact O-CA 3.47Å; L1507-K1514 HydrophobicContact CB-CB 4.39Å; L1507-K1514 PolarHBondContact N-O 3.48Å; L1507-K1514 PolarHBondContact O-N 3.15Å; L1507-Y1569 HydrophobicContact CD2-CD1 3.85Å; L1507-Y1569 HydrophobicContact CD2-CG 3.93Å; L1507-A1571 HydrophobicContact CD1-CB 3.41Å; L1507-A1571 VanDerWaalsContact CD1-CB 3.41Å
1508T63.2Low71.7Confident45 Ų4546.7 Ų46.728%0.27625%0.248SC..EExtended strand (participates in β ladder)trans-117.1105.6175.539.90000111.1L871 I873 I1513L871-T1508 HydrophobicContact CD1-CG2 3.44Å; L871-T1508 VanDerWaalsContact CD1-CG2 3.44Å; I873-T1508 HydrophobicContact CD1-CG2 3.82Å; I873-T1508 HydrophobicContact CG1-CG2 4.4Å; T1508-I1513 HydrophobicContact CG2-CG1 4.22Å
1509E57.8Low71.7Confident71 Ų7146.8 Ų46.833%0.33225%0.249SC..EExtended strand (participates in β ladder)trans-123.5128.4176.9-70.8-175126.700109.7L1507 S1511 E1512 K1514L1507-E1509 HydrophobicContact CD2-CG 3.76Å; L1507-E1509 HydrophobicContact CG-CG 4.06Å; E1509-S1511 VanDerWaalsContact C-N 3.25Å; E1509-S1511 PolarHBondContact O-N 3.1Å; E1509-E1512 PolarHBondContact N-O 2.99Å; E1509-E1512 VanDerWaalsContact N-O 3.14Å; E1509-E1512 PolarHBondContact O-N 3.41Å; E1509-K1514 IonicContact OE2-NZ 2.7Å; E1509-K1514 PolarHBondContact OE2-NZ 3.08Å
1510Q52.1Low72Confident195 Ų19545.1 Ų45.191%0.91124%0.241SC*.THydrogen-bonded Turntrans47.742168.1-56.4-172.33.900115E1512Q1510-E1512 VanDerWaalsContact C-N 3.29Å; Q1510-E1512 PolarHBondContact O-N 3.32Å
1511S51.6Low71.7Confident119 Ų11945.8 Ų45.883%0.83225%0.245SC*.THydrogen-bonded Turntrans74.1-4.2-176-5.70000116.9E1509E1509-S1511 VanDerWaalsContact C-N 3.25Å; E1509-S1511 PolarHBondContact O-N 3.1Å
1512E50.7Low70.9Confident121 Ų12147.3 Ų47.357%0.56525%0.252SS*.EExtended strand (participates in β ladder)trans-89.6141.2170.4-66.1-172154.100111.7E1509 Q1510 K1514E1509-E1512 PolarHBondContact N-O 2.99Å; E1509-E1512 VanDerWaalsContact N-O 3.14Å; E1509-E1512 PolarHBondContact O-N 3.41Å; Q1510-E1512 VanDerWaalsContact C-N 3.29Å; Q1510-E1512 PolarHBondContact O-N 3.32Å; E1512-K1514 WeakPolarHBondContact OE2-CE 3.42Å; E1512-K1514 IonicContact OE2-NZ 3.9Å
1513I63.7Low69.3Low65 Ų6548.2 Ų48.233%0.33326%0.26SS..EExtended strand (participates in β ladder)trans-100.9106.3170.3-52.8176.1000107.8L871 L1507 T1508 T1515L871-I1513 HydrophobicContact CD1-CD1 4.01Å; L871-I1513 HydrophobicContact CD1-CG1 4.23Å; L871-I1513 HydrophobicContact CD1-CG2 4.04Å; L871-I1513 HydrophobicContact CG-CD1 4.4Å; L1507-I1513 WeakPolarHBondContact O-CA 3.47Å; T1508-I1513 HydrophobicContact CG2-CG1 4.22Å; I1513-T1515 HydrophobicContact CG2-CG2 4.04Å
1514K68.1Low67Low75 Ų7552.3 Ų52.333%0.32629%0.285SS..EExtended strand (participates in β ladder)trans-95.6121.9177.3-65.1172.2-169.5167.70108.7L1507 E1509 E1512L1507-K1514 HydrophobicContact CB-CB 4.39Å; L1507-K1514 PolarHBondContact N-O 3.48Å; L1507-K1514 PolarHBondContact O-N 3.15Å; E1509-K1514 IonicContact OE2-NZ 2.7Å; E1509-K1514 PolarHBondContact OE2-NZ 3.08Å; E1512-K1514 WeakPolarHBondContact OE2-CE 3.42Å; E1512-K1514 IonicContact OE2-NZ 3.9Å
1515T72.3Confident64.4Low95 Ų9556.8 Ų56.858%0.58331%0.313SS*.EExtended strand (participates in β ladder)trans-114.3129.7179.7620000110.5T1506 I1513T1506-T1515 HydrophobicContact CG2-CG2 3.61Å; I1513-T1515 HydrophobicContact CG2-CG2 4.04Å
1516Q76.2Confident61.7Low27 Ų2762.2 Ų62.213%0.12635%0.347CS..EExtended strand (participates in β ladder)trans-113.7137.6171-78.7-92.8-10.100107N1504 F1505 W1561 M1565 Y1569N1504-Q1516 WeakPolarHBondContact CA-O 3.22Å; F1505-Q1516 HydrophobicContact CB-CB 4.29Å; F1505-Q1516 HydrophobicContact CD1-CB 4.47Å; F1505-Q1516 PolarHBondContact N-O 3.11Å; F1505-Q1516 PolarHBondContact O-N 3.2Å; Q1516-W1561 HydrophobicContact CB-CH2 4.39Å; Q1516-W1561 HydrophobicContact CB-CZ2 4.26Å; Q1516-M1565 HydrophobicContact CB-SD 4.42Å; Q1516-M1565 HydrophobicContact CG-SD 3.94Å; Q1516-Y1569 HydrophobicContact CG-CE2 3.96Å; Q1516-Y1569 PolarHBondContact NE2-OH 2.96Å
1517S74.9Confident59.1Low34 Ų3469 Ų6924%0.23838%0.381CS..EExtended strand (participates in β ladder)trans-140.7145.318064.40000114.1Q1502 L1503 N1504 P1545Q1502-S1517 PolarHBondContact NE2-OG 2.98Å; L1503-S1517 CarbonylContact O-C 3.55Å; L1503-S1517 WeakPolarHBondContact O-CA 3.1Å; N1504-S1517 VanDerWaalsContact OD1-CB 3.22Å; N1504-S1517 WeakPolarHBondContact OD1-CB 3.12Å; S1517-P1545 VanDerWaalsContact O-CD 3.24Å; S1517-P1545 WeakPolarHBondContact O-CD 3.42Å; S1517-P1545 WeakPolarHBondContact O-CG 3.41Å
1518I78.2Confident56.5Low0 Ų074.7 Ų74.70%042%0.422CS..EExtended strand (participates in β ladder)trans-107.4131.4162.4-74.2179.7000107.5W1467 Q1502 L1503 V1542 L1544 I1553 W1561W1467-I1518 HydrophobicContact CH2-CD1 4Å; W1467-I1518 HydrophobicContact CH2-CG2 4.23Å; W1467-I1518 HydrophobicContact CZ2-CD1 4.11Å; Q1502-I1518 CarbonylContact C-O 3.59Å; Q1502-I1518 VanDerWaalsContact CA-O 3.28Å; Q1502-I1518 WeakPolarHBondContact CA-O 3.41Å; L1503-I1518 PolarHBondContact N-O 3.19Å; L1503-I1518 PolarHBondContact O-N 3.37Å; I1518-V1542 HydrophobicContact CG2-CG1 3.55Å; I1518-L1544 HydrophobicContact CD1-CD2 4.12Å; I1518-L1544 HydrophobicContact CG1-CD2 3.97Å; I1518-L1544 HydrophobicContact CG2-CD2 4.36Å; I1518-I1553 HydrophobicContact CD1-CD1 3.97Å; I1518-I1553 HydrophobicContact CD1-CG2 4.47Å; I1518-W1561 HydrophobicContact CD1-CB 4.31Å; I1518-W1561 HydrophobicContact CD1-CD2 3.44Å; I1518-W1561 VanDerWaalsContact CD1-CD2 3.44Å; I1518-W1561 HydrophobicContact CD1-CE3 4.04Å; I1518-W1561 HydrophobicContact CD1-CG 3.53Å; I1518-W1561 HydrophobicContact CD1-CZ2 4.2Å; I1518-W1561 HydrophobicContact CG1-CD2 4.08Å; I1518-W1561 HydrophobicContact CG1-CH2 4.38Å; I1518-W1561 HydrophobicContact CG1-CZ2 3.87Å
1519V76.6Confident54.7Low9 Ų977.3 Ų77.36%0.05544%0.442CS..EExtended strand (participates in β ladder)trans-104.8119.6169.5178.30000108.5Q1502 V1542 L1543Q1502-V1519 HydrophobicContact CB-CG2 4.13Å; Q1502-V1519 HydrophobicContact CG-CG2 3.85Å; V1519-V1542 CarbonylContact O-C 3.54Å; V1519-V1542 WeakPolarHBondContact O-CA 3.27Å; V1519-L1543 HydrophobicContact CB-CB 4.27Å; V1519-L1543 PolarHBondContact N-O 2.76Å; V1519-L1543 VanDerWaalsContact N-O 3.11Å; V1519-L1543 PolarHBondContact O-N 2.81Å
1520R77.1Confident53.1Low6 Ų679.2 Ų79.22%0.02346%0.463CS..EExtended strand (participates in β ladder)trans-114.7127.8176.5-170.9143.7171.2-80.7-9.4109.9W1467 D1471 A1500 Y1501 V1542W1467-R1520 PolarHBondContact O-NH1 3.4Å; D1471-R1520 IonicContact OD1-CZ 3.81Å; D1471-R1520 IonicContact OD1-NH1 2.62Å; D1471-R1520 PolarHBondContact OD1-NH1 3.04Å; D1471-R1520 IonicContact OD2-CZ 3.96Å; D1471-R1520 VanDerWaalsContact OD2-CZ 3.23Å; D1471-R1520 IonicContact OD2-NH1 3.97Å; D1471-R1520 PolarHBondContact OD2-NH1 3.35Å; D1471-R1520 IonicContact OD2-NH2 2.86Å; D1471-R1520 PolarHBondContact OD2-NH2 3.26Å; A1500-R1520 CarbonylContact C-O 3.26Å; A1500-R1520 WeakPolarHBondContact CA-O 3.25Å; A1500-R1520 WeakPolarHBondContact CB-O 3.41Å; Y1501-R1520 HydrophobicContact CE1-CB 4.46Å; Y1501-R1520 HydrophobicContact CE2-CB 4.27Å; Y1501-R1520 PolarHBondContact N-O 2.9Å; Y1501-R1520 PolarHBondContact O-N 3.14Å; Y1501-R1520 PolarHBondContact OH-NH1 3.29Å; R1520-V1542 HydrophobicContact CG-CG2 4.04Å
1521S70.1Confident51.9Low20 Ų2075.4 Ų75.414%0.1446%0.458CS..EExtended strand (participates in β ladder)trans-130.3141.8-170.265.90000112.3C1540 T1541S1521-C1540 CarbonylContact O-C 3.55Å; S1521-C1540 VanDerWaalsContact O-CA 3.25Å; S1521-C1540 WeakPolarHBondContact O-CA 3.43Å; S1521-T1541 PolarHBondContact N-O 3.03Å; S1521-T1541 PolarHBondContact O-N 3.23Å; S1521-T1541 PolarHBondContact OG-O 2.87Å
1522F66.6Low50.8Low33 Ų3374.4 Ų74.415%0.14546%0.457CS..EExtended strand (participates in β ladder)trans-100.2107.4-178.8-57.7-89.8000108.9D1471 L1498 Q1499 Y1501 I1538 C1540D1471-F1522 HydrophobicContact CB-CE1 4.14Å; D1471-F1522 HydrophobicContact CB-CZ 3.91Å; D1471-F1522 VanDerWaalsContact CG-CZ 3.42Å; D1471-F1522 WeakPolarHBondContact OD1-CZ 3.36Å; L1498-F1522 HydrophobicContact CB-CE2 4.45Å; L1498-F1522 HydrophobicContact CD2-CE2 3.58Å; L1498-F1522 HydrophobicContact CD2-CZ 3.81Å; L1498-F1522 HydrophobicContact CG-CD2 4.21Å; L1498-F1522 HydrophobicContact CG-CE2 3.63Å; L1498-F1522 HydrophobicContact CG-CZ 4.34Å; L1498-F1522 WeakPolarHBondContact O-CD2 3.18Å; Q1499-F1522 WeakPolarHBondContact O-CD2 3.44Å; Q1499-F1522 PolarHBondContact O-N 3Å; Y1501-F1522 HydrophobicContact CD1-CE2 4.09Å; Y1501-F1522 AromaticContact CE1-CE2 3.96Å; Y1501-F1522 HydrophobicContact CE1-CE2 3.96Å; Y1501-F1522 AromaticContact CE1-CZ 3.97Å; Y1501-F1522 HydrophobicContact CE1-CZ 3.97Å; F1522-I1538 HydrophobicContact CB-CG2 4.21Å; F1522-I1538 HydrophobicContact CD1-CG2 4.22Å; F1522-C1540 WeakPolarHBondContact CD1-SG 3.41Å
1523T48.9Very low49.5Very low57 Ų5778.6 Ų78.635%0.3548%0.476SS..EExtended strand (participates in β ladder)trans-89.7119.4177.974.50000110.5T1525 S1539T1523-T1525 PolarHBondContact O-N 3.49Å; T1523-S1539 WeakPolarHBondContact CB-O 3.42Å; T1523-S1539 PolarHBondContact N-O 3.19Å; T1523-S1539 WeakPolarHBondContact OG1-CB 3.32Å; T1523-S1539 PolarHBondContact OG1-O 3.45Å
1524T36.3Very low47.7Very low87 Ų8780.9 Ų80.953%0.53450%0.498SS..  trans-76.6110.1168.8500000108.7T1526T1524-T1526 PolarHBondContact O-N 3.29Å; T1524-T1526 PolarHBondContact O-OG1 2.82Å
1525T28Very low45.7Very low106 Ų10686.2 Ų86.265%0.6553%0.525SS*.  trans-51.898.4-178.647.30000112T1523T1523-T1525 PolarHBondContact O-N 3.49Å
1526T25.3Very low43.5Very low116 Ų11687.6 Ų87.671%0.71254%0.538SS*.  trans-129.130.7177.339.30000110.6T1524 S1528T1524-T1526 PolarHBondContact O-N 3.29Å; T1524-T1526 PolarHBondContact O-OG1 2.82Å; T1526-S1528 PolarHBondContact O-N 3.32Å
1527L26.1Very low41.4Very low160 Ų16094 Ų9484%0.83857%0.568SS**  trans-74.2118.7162.4-86.6165.1000109.1S1529L1527-S1529 VanDerWaalsContact C-N 3.3Å; L1527-S1529 PolarHBondContact O-N 2.9Å
1528S23.6Very low39.7Very low127 Ų12798 Ų9889%0.88859%0.586SS**  trans-77.576.3176.452.90000111T1526T1526-S1528 PolarHBondContact O-N 3.32Å
1529S25Very low37.5Very low101 Ų101100.9 Ų100.971%0.70661%0.605SS**  trans-134125.7172.255.80000110.8L1527L1527-S1529 VanDerWaalsContact C-N 3.3Å; L1527-S1529 PolarHBondContact O-N 2.9Å
1530S24.4Very low36.1Very low110 Ų110102.1 Ų102.177%0.76961%0.614SS**  trans-98.7101.6-170.658.40000113.8
1531S25.2Very low34.9Very low115 Ų115104.5 Ų104.580%0.80463%0.629SS**  trans-175.6148.2151.653.30000113.7
1532A28.5Very low34.2Very low98 Ų98103.6 Ų103.681%0.8162%0.623SS**  trans68.4141.5162.900000118.5
1533E24.5Very low33.5Very low209 Ų209106.2 Ų106.298%0.97764%0.638SS**  trans-92.6114.5176-64.9161.412500109.4
1534S25.2Very low33.3Very low113 Ų113105.3 Ų105.379%0.7963%0.631SS**  trans-139.5153.9164.655.20000109.5
1535Q27.3Very low33.6Very low188 Ų188102.5 Ų102.588%0.87961%0.614SS**  trans-59145.1-165.7-68.4166.5-16.700113.2Q1537Q1535-Q1537 PolarHBondContact O-N 2.67Å
1536S26.5Very low34.3Very low124 Ų124103.6 Ų103.687%0.86762%0.615SS**  trans-74.478.1-174.656.50000112.8
1537Q30.4Very low35.2Very low162 Ų162102.2 Ų102.276%0.75761%0.608SS**  trans-76.2126.6161-76.1-173.7-65.600109.8Q1535 S1539Q1535-Q1537 PolarHBondContact O-N 2.67Å; Q1537-S1539 PolarHBondContact O-N 3.09Å
1538I40.6Very low36Very low118 Ų11896.3 Ų96.361%0.60557%0.574SS**  trans-68.9119.9170.6-61.7170.5000107.3F1522 C1540F1522-I1538 HydrophobicContact CB-CG2 4.21Å; F1522-I1538 HydrophobicContact CD1-CG2 4.22Å; I1538-C1540 PolarHBondContact O-N 3.04Å
1539S31.4Very low37Very low59 Ų5994 Ų9441%0.41356%0.555SS.*EExtended strand (participates in β ladder)trans-77.497.4-177.8-50.10000109.8T1523 Q1537T1523-S1539 WeakPolarHBondContact CB-O 3.42Å; T1523-S1539 PolarHBondContact N-O 3.19Å; T1523-S1539 WeakPolarHBondContact OG1-CB 3.32Å; T1523-S1539 PolarHBondContact OG1-O 3.45Å; Q1537-S1539 PolarHBondContact O-N 3.09Å
1540C47Very low38.2Very low35 Ų3593.1 Ų93.124%0.23654%0.543CS..EExtended strand (participates in β ladder)trans-83.7120.3177.3-64.60000110.9S1521 F1522 I1538S1521-C1540 CarbonylContact O-C 3.55Å; S1521-C1540 VanDerWaalsContact O-CA 3.25Å; S1521-C1540 WeakPolarHBondContact O-CA 3.43Å; F1522-C1540 WeakPolarHBondContact CD1-SG 3.41Å; I1538-C1540 PolarHBondContact O-N 3.04Å
1541T51.6Low39.1Very low57 Ų5796 Ų9635%0.3554%0.544SS..EExtended strand (participates in β ladder)trans-101.3128.4175.3-52.40000109.3S1521S1521-T1541 PolarHBondContact N-O 3.03Å; S1521-T1541 PolarHBondContact O-N 3.23Å; S1521-T1541 PolarHBondContact OG-O 2.87Å
1542V55.4Low40.3Very low1 Ų194.9 Ų94.91%0.00653%0.526CS..EExtended strand (participates in β ladder)trans-110.6115-179.9-164.70000108.2I1518 V1519 R1520 L1544 I1553I1518-V1542 HydrophobicContact CG2-CG1 3.55Å; V1519-V1542 CarbonylContact O-C 3.54Å; V1519-V1542 WeakPolarHBondContact O-CA 3.27Å; R1520-V1542 HydrophobicContact CG-CG2 4.04Å; V1542-L1544 HydrophobicContact CB-CD2 4.48Å; V1542-L1544 HydrophobicContact CG1-CD2 3.6Å; V1542-L1544 HydrophobicContact CG1-CG 4.15Å; V1542-I1553 HydrophobicContact CG1-CG2 4.45Å
1543L52.2Low41.5Very low88 Ų8890.3 Ų90.346%0.46149%0.488SS..EExtended strand (participates in β ladder)trans-91.8128.1172.9-76.5167.3000109.2V1519V1519-L1543 HydrophobicContact CB-CB 4.27Å; V1519-L1543 PolarHBondContact N-O 2.76Å; V1519-L1543 VanDerWaalsContact N-O 3.11Å; V1519-L1543 PolarHBondContact O-N 2.81Å
1544L43.9Very low43Very low37 Ų3784.6 Ų84.619%0.19446%0.464CS..  trans-121148.4-162.3-65.7174.9000112.3I1518 V1542 I1553I1518-L1544 HydrophobicContact CD1-CD2 4.12Å; I1518-L1544 HydrophobicContact CG1-CD2 3.97Å; I1518-L1544 HydrophobicContact CG2-CD2 4.36Å; V1542-L1544 HydrophobicContact CB-CD2 4.48Å; V1542-L1544 HydrophobicContact CG1-CD2 3.6Å; V1542-L1544 HydrophobicContact CG1-CG 4.15Å; L1544-I1553 HydrophobicContact CD1-CD1 4.05Å; L1544-I1553 HydrophobicContact CD2-CD1 3.41Å; L1544-I1553 VanDerWaalsContact CD2-CD1 3.41Å; L1544-I1553 HydrophobicContact CG-CD1 4.35Å
1545P43.9Very low44.4Very low29 Ų2983.8 Ų83.819%0.18846%0.458CS..  trans-59.2150.8161-20.834.1000110.6S1517 P1547 Y1548S1517-P1545 VanDerWaalsContact O-CD 3.24Å; S1517-P1545 WeakPolarHBondContact O-CD 3.42Å; S1517-P1545 WeakPolarHBondContact O-CG 3.41Å; P1545-P1547 WeakPolarHBondContact O-CD 3.49Å; P1545-Y1548 PolarHBondContact O-N 2.82Å
1546I41.5Very low46.2Very low129 Ų12977.8 Ų77.866%0.66243%0.43SS*.THydrogen-bonded Turntrans-51.9-26.7-163-63.3166.9000117.5
1547P45Very low48.5Very low86 Ų8673 Ų7356%0.55840%0.396SS*.THydrogen-bonded Turntrans-85.6-0.9179.733.3-36.9000117.2P1545P1545-P1547 WeakPolarHBondContact O-CD 3.49Å
1548Y42Very low50.8Low36 Ų3665.3 Ų65.314%0.14136%0.361CS..  trans-115.7145.6-179.5-67.2-89.5000112.9P1545 I1553 D1564 M1565P1545-Y1548 PolarHBondContact O-N 2.82Å; Y1548-I1553 HydrophobicContact CD1-CD1 3.81Å; Y1548-I1553 HydrophobicContact CD1-CG1 4.21Å; Y1548-I1553 HydrophobicContact CD2-CD1 4.38Å; Y1548-I1553 HydrophobicContact CG-CD1 3.73Å; Y1548-D1564 WeakPolarHBondContact OH-CB 3.44Å; Y1548-D1564 PolarHBondContact OH-OD2 3.08Å; Y1548-M1565 HydrophobicContact CE2-CE 3.82Å
1549T45.9Very low52.8Low80 Ų8059.9 Ų59.949%0.49133%0.333SS..  trans-105.5148173.157.60000111.8E1551 Q1552T1549-E1551 PolarHBondContact O-N 3.31Å; T1549-E1551 VanDerWaalsContact O-N 3.12Å; T1549-Q1552 PolarHBondContact O-N 3.45Å
1550D49.1Very low55.1Low82 Ų8259.6 Ų59.644%0.43933%0.329SS..Hα-helixtrans-50.4-38.6-175.8-65.232.1000114Q1552 N1554D1550-Q1552 VanDerWaalsContact C-N 3.33Å; D1550-Q1552 PolarHBondContact O-N 3.47Å; D1550-N1554 PolarHBondContact O-N 3.43Å; D1550-N1554 PolarHBondContact O-ND2 3.07Å
1551E44.8Very low56.8Low170 Ų17058 Ų5879%0.79432%0.318SS*.Hα-helixtrans-65.3-32.4179.7-63.6-170.7143.900113T1549T1549-E1551 PolarHBondContact O-N 3.31Å; T1549-E1551 VanDerWaalsContact O-N 3.12Å
1552Q49.8Very low58.2Low91 Ų9155.3 Ų55.343%0.42530%0.301SS..Hα-helixtrans-71.5-46.6-178.2-70.4-173.33.100111.6T1549 D1550 S1555 Q1556T1549-Q1552 PolarHBondContact O-N 3.45Å; D1550-Q1552 VanDerWaalsContact C-N 3.33Å; D1550-Q1552 PolarHBondContact O-N 3.47Å; Q1552-S1555 WeakPolarHBondContact O-CB 3.1Å; Q1552-S1555 PolarHBondContact O-N 2.88Å; Q1552-S1555 VanDerWaalsContact O-N 3.09Å; Q1552-S1555 PolarHBondContact O-OG 3.23Å; Q1552-Q1556 WeakPolarHBondContact O-CG 3.35Å; Q1552-Q1556 PolarHBondContact O-N 3.3Å
1553I54.1Low59.5Low2 Ų258 Ų581%0.0132%0.315CS..Hα-helixtrans-76.9-30.5-170.8-80.5168.9000112.7W1467 I1518 V1542 L1544 Y1548 S1555 Q1556W1467-I1553 VanDerWaalsContact CD1-O 3.26Å; W1467-I1553 HydrophobicContact CZ2-CG2 3.78Å; W1467-I1553 PolarHBondContact NE1-O 2.93Å; I1518-I1553 HydrophobicContact CD1-CD1 3.97Å; I1518-I1553 HydrophobicContact CD1-CG2 4.47Å; V1542-I1553 HydrophobicContact CG1-CG2 4.45Å; L1544-I1553 HydrophobicContact CD1-CD1 4.05Å; L1544-I1553 HydrophobicContact CD2-CD1 3.41Å; L1544-I1553 VanDerWaalsContact CD2-CD1 3.41Å; L1544-I1553 HydrophobicContact CG-CD1 4.35Å; Y1548-I1553 HydrophobicContact CD1-CD1 3.81Å; Y1548-I1553 HydrophobicContact CD1-CG1 4.21Å; Y1548-I1553 HydrophobicContact CD2-CD1 4.38Å; Y1548-I1553 HydrophobicContact CG-CD1 3.73Å; I1553-S1555 PolarHBondContact O-N 2.68Å; I1553-Q1556 PolarHBondContact O-N 2.63Å
1554N54.8Low60.9Low90 Ų9056.6 Ų56.648%0.48131%0.308SS..THydrogen-bonded Turntrans-64.1-17168.4-76.4-35.2000113.1D1550D1550-N1554 PolarHBondContact O-N 3.43Å; D1550-N1554 PolarHBondContact O-ND2 3.07Å
1555S54.9Low62.6Low95 Ų9554.8 Ų54.866%0.66430%0.299SS*.THydrogen-bonded Turntrans-94.9-8.117781.60000114.9Q1552 I1553Q1552-S1555 WeakPolarHBondContact O-CB 3.1Å; Q1552-S1555 PolarHBondContact O-N 2.88Å; Q1552-S1555 VanDerWaalsContact O-N 3.09Å; Q1552-S1555 PolarHBondContact O-OG 3.23Å; I1553-S1555 PolarHBondContact O-N 2.68Å
1556Q66Low64.3Low62 Ų6254.9 Ų54.929%0.2930%0.298SS..SBendtrans-117.8149.9-173.3-65.8179.812.200111.4W1467 Q1552 I1553 V1560W1467-Q1556 PolarHBondContact NE1-O 3.09Å; Q1552-Q1556 WeakPolarHBondContact O-CG 3.35Å; Q1552-Q1556 PolarHBondContact O-N 3.3Å; I1553-Q1556 PolarHBondContact O-N 2.63Å; Q1556-V1560 HydrophobicContact CB-CB 4.31Å; Q1556-V1560 HydrophobicContact CB-CG1 4.44Å
1557S74.7Confident66.2Low23 Ų2354.3 Ų54.316%0.16130%0.296CS..  trans-71.1151.2174.954.90000111.1D1463 M1465 I1559 V1560D1463-S1557 WeakPolarHBondContact O-CB 3.5Å; D1463-S1557 PolarHBondContact O-OG 3.04Å; M1465-S1557 WeakPolarHBondContact O-CA 3.27Å; M1465-S1557 WeakPolarHBondContact O-CB 3.22Å; S1557-I1559 PolarHBondContact O-N 2.77Å; S1557-I1559 VanDerWaalsContact O-N 3.07Å; S1557-V1560 WeakPolarHBondContact O-CB 3.43Å; S1557-V1560 PolarHBondContact O-N 3.16Å; S1557-V1560 WeakPolarHBondContact OG-CG2 3.48Å
1558P79.1Confident67.7Low1 Ų155.7 Ų55.71%0.00629%0.293CS..Hα-helixtrans-55.1-30.5179-23.631.6000113.4M1465 W1467 L1470 V1560 W1561 I1562M1465-P1558 WeakPolarHBondContact O-CD 3.47Å; W1467-P1558 HydrophobicContact CD2-CB 4.32Å; W1467-P1558 HydrophobicContact CD2-CG 3.7Å; W1467-P1558 HydrophobicContact CE3-CB 4.33Å; W1467-P1558 HydrophobicContact CE3-CG 3.91Å; W1467-P1558 HydrophobicContact CG-CG 4.09Å; W1467-P1558 HydrophobicContact CH2-CB 4.06Å; W1467-P1558 HydrophobicContact CH2-CG 4.47Å; W1467-P1558 HydrophobicContact CZ2-CB 4.02Å; W1467-P1558 HydrophobicContact CZ2-CG 4.29Å; W1467-P1558 HydrophobicContact CZ3-CB 4.21Å; W1467-P1558 HydrophobicContact CZ3-CG 4.29Å; L1470-P1558 HydrophobicContact CD2-CB 4.47Å; L1470-P1558 HydrophobicContact CD2-CG 4.22Å; P1558-V1560 VanDerWaalsContact C-N 3.33Å; P1558-V1560 PolarHBondContact O-N 2.87Å; P1558-W1561 PolarHBondContact O-N 3.36Å; P1558-I1562 WeakPolarHBondContact O-CG1 3.47Å; P1558-I1562 PolarHBondContact O-N 3.34Å
1559I80.8Confident69.2Low5 Ų557.2 Ų57.23%0.02630%0.299CS..Hα-helixtrans-67.8-28.7177.6-115166.5000112.9C1407 Q1408 L1461 S1557 I1562 N1563C1407-I1559 HydrophobicContact CB-CD1 3.78Å; Q1408-I1559 HydrophobicContact CB-CD1 4.45Å; Q1408-I1559 HydrophobicContact CG-CD1 4.5Å; L1461-I1559 HydrophobicContact CB-CD1 3.67Å; L1461-I1559 HydrophobicContact CB-CG1 4.03Å; L1461-I1559 HydrophobicContact CD1-CG1 4.28Å; S1557-I1559 PolarHBondContact O-N 2.77Å; S1557-I1559 VanDerWaalsContact O-N 3.07Å; I1559-I1562 PolarHBondContact O-N 3.12Å; I1559-N1563 VanDerWaalsContact O-CB 3.31Å; I1559-N1563 WeakPolarHBondContact O-CB 3.18Å; I1559-N1563 VanDerWaalsContact O-CG 3.24Å; I1559-N1563 PolarHBondContact O-N 2.85Å; I1559-N1563 PolarHBondContact O-ND2 2.77Å
1560V80.4Confident70.3Confident52 Ų5260.4 Ų60.432%0.31531%0.313SS..Hα-helixtrans-64.8-45.3176.8173.80000110Q1556 S1557 P1558 I1562 N1563 D1564Q1556-V1560 HydrophobicContact CB-CB 4.31Å; Q1556-V1560 HydrophobicContact CB-CG1 4.44Å; S1557-V1560 WeakPolarHBondContact O-CB 3.43Å; S1557-V1560 PolarHBondContact O-N 3.16Å; S1557-V1560 WeakPolarHBondContact OG-CG2 3.48Å; P1558-V1560 VanDerWaalsContact C-N 3.33Å; P1558-V1560 PolarHBondContact O-N 2.87Å; V1560-I1562 VanDerWaalsContact C-N 3.34Å; V1560-I1562 PolarHBondContact O-N 2.86Å; V1560-N1563 PolarHBondContact O-N 3.43Å; V1560-D1564 WeakPolarHBondContact O-CB 3.26Å; V1560-D1564 PolarHBondContact O-N 2.86Å
1561W83.1Confident71.1Confident3 Ų357 Ų571%0.01130%0.296CS..Hα-helixtrans-62.1-40.2175.7178.578.8000112.7L1503 F1505 Q1516 I1518 P1558 D1564 M1565L1503-W1561 HydrophobicContact CD2-CE3 3.86Å; L1503-W1561 HydrophobicContact CD2-CZ3 3.78Å; L1503-W1561 HydrophobicContact CG-CZ3 3.96Å; F1505-W1561 HydrophobicContact CB-CH2 3.92Å; F1505-W1561 HydrophobicContact CB-CZ3 4.15Å; Q1516-W1561 HydrophobicContact CB-CH2 4.39Å; Q1516-W1561 HydrophobicContact CB-CZ2 4.26Å; I1518-W1561 HydrophobicContact CD1-CB 4.31Å; I1518-W1561 HydrophobicContact CD1-CD2 3.44Å; I1518-W1561 VanDerWaalsContact CD1-CD2 3.44Å; I1518-W1561 HydrophobicContact CD1-CE3 4.04Å; I1518-W1561 HydrophobicContact CD1-CG 3.53Å; I1518-W1561 HydrophobicContact CD1-CZ2 4.2Å; I1518-W1561 HydrophobicContact CG1-CD2 4.08Å; I1518-W1561 HydrophobicContact CG1-CH2 4.38Å; I1518-W1561 HydrophobicContact CG1-CZ2 3.87Å; P1558-W1561 PolarHBondContact O-N 3.36Å; W1561-D1564 WeakPolarHBondContact O-CB 3.31Å; W1561-D1564 PolarHBondContact O-N 3.06Å; W1561-M1565 HydrophobicContact CD2-CG 4.34Å; W1561-M1565 HydrophobicContact CH2-CG 4.4Å; W1561-M1565 HydrophobicContact CZ2-CE 4.09Å; W1561-M1565 HydrophobicContact CZ2-CG 3.95Å; W1561-M1565 VanDerWaalsContact NE1-CE 3.32Å; W1561-M1565 WeakPolarHBondContact O-CG 3.31Å; W1561-M1565 PolarHBondContact O-N 2.89Å
1562I81.7Confident71.9Confident0 Ų057.7 Ų57.70%030%0.296CS..Hα-helixtrans-67.8-42.5177.8-59.3166.1000110.7L1461 L1503 F1505 P1558 I1559 V1560 M1565 I1566 L1576L1461-I1562 HydrophobicContact CD1-CD1 3.29Å; L1503-I1562 HydrophobicContact CD2-CD1 4.43Å; L1503-I1562 HydrophobicContact CD2-CG1 4.48Å; F1505-I1562 HydrophobicContact CD2-CG2 4.25Å; P1558-I1562 WeakPolarHBondContact O-CG1 3.47Å; P1558-I1562 PolarHBondContact O-N 3.34Å; I1559-I1562 PolarHBondContact O-N 3.12Å; V1560-I1562 VanDerWaalsContact C-N 3.34Å; V1560-I1562 PolarHBondContact O-N 2.86Å; I1562-M1565 PolarHBondContact O-N 3.44Å; I1562-M1565 VanDerWaalsContact O-N 3.14Å; I1562-I1566 HydrophobicContact CG2-CD1 3.87Å; I1562-I1566 HydrophobicContact CG2-CG1 4.33Å; I1562-I1566 VanDerWaalsContact O-CG1 3.31Å; I1562-I1566 WeakPolarHBondContact O-CG1 3.47Å; I1562-I1566 PolarHBondContact O-N 2.76Å; I1562-L1576 HydrophobicContact CD1-CD1 4.18Å; I1562-L1576 HydrophobicContact CD1-CD2 4Å; I1562-L1576 HydrophobicContact CG1-CD2 4.11Å; I1562-L1576 HydrophobicContact CG2-CD1 4.1Å; I1562-L1576 HydrophobicContact CG2-CD2 3.87Å
1563N82.7Confident72.7Confident57 Ų5758.8 Ų58.831%0.30530%0.301SS..Hα-helixtrans-64.8-38.4176-73-19.4000111.8Q1408 I1559 V1560 M1565 I1566 N1567Q1408-N1563 PolarHBondContact NE2-OD1 3.2Å; I1559-N1563 VanDerWaalsContact O-CB 3.31Å; I1559-N1563 WeakPolarHBondContact O-CB 3.18Å; I1559-N1563 VanDerWaalsContact O-CG 3.24Å; I1559-N1563 PolarHBondContact O-N 2.85Å; I1559-N1563 PolarHBondContact O-ND2 2.77Å; V1560-N1563 PolarHBondContact O-N 3.43Å; N1563-M1565 VanDerWaalsContact C-N 3.31Å; N1563-M1565 PolarHBondContact O-N 2.83Å; N1563-I1566 PolarHBondContact O-N 3.06Å; N1563-N1567 VanDerWaalsContact O-CB 3.31Å; N1563-N1567 WeakPolarHBondContact O-CB 3.41Å; N1563-N1567 PolarHBondContact O-N 3.28Å; N1563-N1567 PolarHBondContact O-ND2 3.39Å
1564D80.8Confident73.9Confident58 Ų5862.5 Ų62.531%0.3132%0.316SS..Hα-helixtrans-56.9-44169.8-875.1000111.2Y1548 V1560 W1561 N1567 K1568Y1548-D1564 WeakPolarHBondContact OH-CB 3.44Å; Y1548-D1564 PolarHBondContact OH-OD2 3.08Å; V1560-D1564 WeakPolarHBondContact O-CB 3.26Å; V1560-D1564 PolarHBondContact O-N 2.86Å; W1561-D1564 WeakPolarHBondContact O-CB 3.31Å; W1561-D1564 PolarHBondContact O-N 3.06Å; D1564-N1567 PolarHBondContact O-N 3.26Å; D1564-K1568 WeakPolarHBondContact O-CB 3.41Å; D1564-K1568 PolarHBondContact O-N 3.37Å
1565M79.4Confident75Confident0 Ų060.6 Ų60.60%031%0.308CS..Hα-helixtrans-69.4-40.1177.3-68.2-58158.800113F1505 Q1516 Y1548 W1561 I1562 N1563 N1567 K1568 Y1569F1505-M1565 HydrophobicContact CD1-CB 4.08Å; F1505-M1565 HydrophobicContact CD2-CB 4.22Å; F1505-M1565 HydrophobicContact CE1-CB 4.16Å; F1505-M1565 HydrophobicContact CE2-CB 4.31Å; F1505-M1565 HydrophobicContact CG-CB 4.11Å; F1505-M1565 HydrophobicContact CZ-CB 4.28Å; Q1516-M1565 HydrophobicContact CB-SD 4.42Å; Q1516-M1565 HydrophobicContact CG-SD 3.94Å; Y1548-M1565 HydrophobicContact CE2-CE 3.82Å; W1561-M1565 HydrophobicContact CD2-CG 4.34Å; W1561-M1565 HydrophobicContact CH2-CG 4.4Å; W1561-M1565 HydrophobicContact CZ2-CE 4.09Å; W1561-M1565 HydrophobicContact CZ2-CG 3.95Å; W1561-M1565 VanDerWaalsContact NE1-CE 3.32Å; W1561-M1565 WeakPolarHBondContact O-CG 3.31Å; W1561-M1565 PolarHBondContact O-N 2.89Å; I1562-M1565 PolarHBondContact O-N 3.44Å; I1562-M1565 VanDerWaalsContact O-N 3.14Å; N1563-M1565 VanDerWaalsContact C-N 3.31Å; N1563-M1565 PolarHBondContact O-N 2.83Å; M1565-N1567 VanDerWaalsContact C-N 3.33Å; M1565-N1567 PolarHBondContact O-N 3.48Å; M1565-K1568 PolarHBondContact O-N 3Å; M1565-K1568 HydrophobicContact SD-CD 4.13Å; M1565-Y1569 WeakPolarHBondContact O-CD2 3.31Å; M1565-Y1569 PolarHBondContact O-N 3.27Å; M1565-Y1569 HydrophobicContact SD-CD2 4.42Å; M1565-Y1569 HydrophobicContact SD-CE2 4.03Å
1566I79.9Confident76.3Confident31 Ų3156.7 Ų56.716%0.15928%0.279CS..Hα-helixtrans-59.9-45173.7-67164000110.3F1505 I1562 N1563 N1570 A1571 Y1574F1505-I1566 HydrophobicContact CE2-CG1 3.74Å; F1505-I1566 HydrophobicContact CZ-CG1 4.2Å; I1562-I1566 HydrophobicContact CG2-CD1 3.87Å; I1562-I1566 HydrophobicContact CG2-CG1 4.33Å; I1562-I1566 VanDerWaalsContact O-CG1 3.31Å; I1562-I1566 WeakPolarHBondContact O-CG1 3.47Å; I1562-I1566 PolarHBondContact O-N 2.76Å; N1563-I1566 PolarHBondContact O-N 3.06Å; I1566-N1570 CarbonylContact O-C 3.56Å; I1566-N1570 VanDerWaalsContact O-CA 3.25Å; I1566-N1570 WeakPolarHBondContact O-CA 3.29Å; I1566-N1570 PolarHBondContact O-N 3.31Å; I1566-A1571 PolarHBondContact O-N 2.96Å; I1566-Y1574 HydrophobicContact CD1-CD1 4.49Å; I1566-Y1574 HydrophobicContact CD1-CE1 3.7Å; I1566-Y1574 HydrophobicContact CD1-CE2 4.11Å; I1566-Y1574 VanDerWaalsContact CD1-CZ 3.48Å; I1566-Y1574 WeakPolarHBondContact CD1-OH 3.33Å; I1566-Y1574 HydrophobicContact CG1-CD1 4.1Å; I1566-Y1574 HydrophobicContact CG1-CE1 3.76Å; I1566-Y1574 HydrophobicContact CG1-CE2 4.48Å
1567N80.3Confident77.1Confident117 Ų11754.8 Ų54.863%0.62627%0.273SS*.Hα-helixtrans-66.9-46.7178.1-69.7-31.6000111.9N1563 D1564 M1565 Y1569 N1570N1563-N1567 VanDerWaalsContact O-CB 3.31Å; N1563-N1567 WeakPolarHBondContact O-CB 3.41Å; N1563-N1567 PolarHBondContact O-N 3.28Å; N1563-N1567 PolarHBondContact O-ND2 3.39Å; D1564-N1567 PolarHBondContact O-N 3.26Å; M1565-N1567 VanDerWaalsContact C-N 3.33Å; M1565-N1567 PolarHBondContact O-N 3.48Å; N1567-Y1569 VanDerWaalsContact C-N 3.3Å; N1567-Y1569 PolarHBondContact O-N 3.34Å; N1567-N1570 PolarHBondContact O-N 3.01Å
1568K78.4Confident77.6Confident114 Ų11453.7 Ų53.750%0.49627%0.265SS..Hα-helixtrans-62.1-33.8-178.2-179.9174.9-179.4175.50113.3D1564 M1565D1564-K1568 WeakPolarHBondContact O-CB 3.41Å; D1564-K1568 PolarHBondContact O-N 3.37Å; M1565-K1568 PolarHBondContact O-N 3Å; M1565-K1568 HydrophobicContact SD-CD 4.13Å
1569Y72.4Confident77.8Confident69 Ų6956.1 Ų56.127%0.27128%0.276SS..THydrogen-bonded Turntrans-105.44.4178.1-70-78.4000113.7L1507 Q1516 M1565 N1567 A1571L1507-Y1569 HydrophobicContact CD2-CD1 3.85Å; L1507-Y1569 HydrophobicContact CD2-CG 3.93Å; Q1516-Y1569 HydrophobicContact CG-CE2 3.96Å; Q1516-Y1569 PolarHBondContact NE2-OH 2.96Å; M1565-Y1569 WeakPolarHBondContact O-CD2 3.31Å; M1565-Y1569 PolarHBondContact O-N 3.27Å; M1565-Y1569 HydrophobicContact SD-CD2 4.42Å; M1565-Y1569 HydrophobicContact SD-CE2 4.03Å; N1567-Y1569 VanDerWaalsContact C-N 3.3Å; N1567-Y1569 PolarHBondContact O-N 3.34Å; Y1569-A1571 PolarHBondContact O-N 3.18Å; Y1569-A1571 VanDerWaalsContact O-N 3.14Å
1570N69.6Low77.9Confident146 Ų14655.9 Ų55.978%0.78128%0.275SS*.THydrogen-bonded Turntrans49.238.3-177-131.2-21000113.1I1566 N1567 K1572I1566-N1570 CarbonylContact O-C 3.56Å; I1566-N1570 VanDerWaalsContact O-CA 3.25Å; I1566-N1570 WeakPolarHBondContact O-CA 3.29Å; I1566-N1570 PolarHBondContact O-N 3.31Å; N1567-N1570 PolarHBondContact O-N 3.01Å; N1570-K1572 PolarHBondContact O-N 2.7Å
1571A65Low77.7Confident10 Ų1054.1 Ų54.18%0.08326%0.263CS..  trans-78.8106.6-155.200000113.9F1505 L1507 I1566 Y1569 Y1574F1505-A1571 HydrophobicContact CZ-CB 3.86Å; L1507-A1571 HydrophobicContact CD1-CB 3.41Å; L1507-A1571 VanDerWaalsContact CD1-CB 3.41Å; I1566-A1571 PolarHBondContact O-N 2.96Å; Y1569-A1571 PolarHBondContact O-N 3.18Å; Y1569-A1571 VanDerWaalsContact O-N 3.14Å; A1571-Y1574 HydrophobicContact CB-CD1 4.16Å
1572K62.7Low77.3Confident185 Ų18554 Ų5480%0.80426%0.263SS*.SBendtrans-82.6-22.5174.7-68.6-174.2179.1178.80114.7N1570N1570-K1572 PolarHBondContact O-N 2.7Å
1573H66.2Low76.6Confident115 Ų11555.9 Ų55.953%0.53227%0.271SS..SBendtrans-137.1109178.7-66.1-58.2000109.3R876R876-H1573 PolarHBondContact NE-NE2 3.48Å; R876-H1573 PolarHBondContact NH1-NE2 3.36Å; R876-H1573 PolarHBondContact NH2-NE2 2.59Å
1574Y79Confident75.6Confident80 Ų8053.7 Ų53.731%0.31426%0.262SS..EExtended strand (participates in β ladder)trans-139.9156.3179.161.1-92.1000110F1505 T1506 I1566 A1571 L1576F1505-Y1574 HydrophobicContact CD2-CD2 4.13Å; F1505-Y1574 HydrophobicContact CD2-CG 4.38Å; F1505-Y1574 HydrophobicContact CE2-CD1 4.16Å; F1505-Y1574 AromaticContact CE2-CD2 3.61Å; F1505-Y1574 HydrophobicContact CE2-CD2 3.61Å; F1505-Y1574 HydrophobicContact CE2-CE2 4.36Å; F1505-Y1574 AromaticContact CE2-CG 3.51Å; F1505-Y1574 HydrophobicContact CE2-CG 3.51Å; F1505-Y1574 HydrophobicContact CZ-CD1 4.39Å; F1505-Y1574 HydrophobicContact CZ-CD2 4.45Å; F1505-Y1574 AromaticContact CZ-CG 3.91Å; F1505-Y1574 HydrophobicContact CZ-CG 3.91Å; T1506-Y1574 CarbonylContact O-C 3.43Å; T1506-Y1574 VanDerWaalsContact O-CA 3.28Å; T1506-Y1574 WeakPolarHBondContact O-CA 3.43Å; I1566-Y1574 HydrophobicContact CD1-CD1 4.49Å; I1566-Y1574 HydrophobicContact CD1-CE1 3.7Å; I1566-Y1574 HydrophobicContact CD1-CE2 4.11Å; I1566-Y1574 VanDerWaalsContact CD1-CZ 3.48Å; I1566-Y1574 WeakPolarHBondContact CD1-OH 3.33Å; I1566-Y1574 HydrophobicContact CG1-CD1 4.1Å; I1566-Y1574 HydrophobicContact CG1-CE1 3.76Å; I1566-Y1574 HydrophobicContact CG1-CE2 4.48Å; A1571-Y1574 HydrophobicContact CB-CD1 4.16Å; Y1574-L1576 HydrophobicContact CD2-CD1 4.42Å; Y1574-L1576 HydrophobicContact CD2-CG 4.09Å; Y1574-L1576 HydrophobicContact CE2-CD1 3.91Å; Y1574-L1576 HydrophobicContact CE2-CG 4.09Å
1575T76.9Confident74.3Confident50 Ų5051 Ų5131%0.30725%0.248SC..EExtended strand (participates in β ladder)trans-124.113017527.10000110.7T1506T1506-T1575 PolarHBondContact N-O 2.81Å; T1506-T1575 PolarHBondContact O-N 2.95Å; T1506-T1575 PolarHBondContact OG1-O 3.47Å; T1506-T1575 PolarHBondContact OG1-OG1 3.06Å
1576L82.7Confident72.7Confident12 Ų1252.4 Ų52.46%0.06326%0.256CS..EExtended strand (participates in β ladder)trans-101.9126178.1-69.7166.1000110V1410 Q1411 F1505 I1562 Y1574V1410-L1576 HydrophobicContact CB-CB 4.27Å; V1410-L1576 HydrophobicContact CG1-CB 4.02Å; V1410-L1576 HydrophobicContact CG2-CB 3.99Å; V1410-L1576 HydrophobicContact CG2-CD1 4.12Å; Q1411-L1576 PolarHBondContact N-O 2.9Å; Q1411-L1576 VanDerWaalsContact N-O 3.08Å; F1505-L1576 HydrophobicContact CB-CD2 4.34Å; F1505-L1576 HydrophobicContact CD2-CD2 3.91Å; I1562-L1576 HydrophobicContact CD1-CD1 4.18Å; I1562-L1576 HydrophobicContact CD1-CD2 4Å; I1562-L1576 HydrophobicContact CG1-CD2 4.11Å; I1562-L1576 HydrophobicContact CG2-CD1 4.1Å; I1562-L1576 HydrophobicContact CG2-CD2 3.87Å; Y1574-L1576 HydrophobicContact CD2-CD1 4.42Å; Y1574-L1576 HydrophobicContact CD2-CG 4.09Å; Y1574-L1576 HydrophobicContact CE2-CD1 3.91Å; Y1574-L1576 HydrophobicContact CE2-CG 4.09Å
1577S84.1Confident70.6Confident22 Ų2253.4 Ų53.415%0.15426%0.261CS..EExtended strand (participates in β ladder)trans-138.3142.4174.158.60000112.3Q1411 N1504Q1411-S1577 CarbonylContact O-C 3.56Å; Q1411-S1577 VanDerWaalsContact O-CA 3.29Å; Q1411-S1577 WeakPolarHBondContact O-CA 3.38Å; N1504-S1577 PolarHBondContact N-O 2.94Å; N1504-S1577 PolarHBondContact O-N 3.44Å
1578I85.3Confident68.3Low1 Ų155 Ų551%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-107.7121.6170.1-73.5160.9000107.6V1410 Q1411 V1412 F1413 T1459 L1470 L1474 Y1501 Q1502 L1503 I1580V1410-I1578 HydrophobicContact CB-CD1 4.22Å; V1410-I1578 HydrophobicContact CG1-CB 4.3Å; V1410-I1578 HydrophobicContact CG1-CD1 3.58Å; V1410-I1578 HydrophobicContact CG1-CG1 3.59Å; Q1411-I1578 PolarHBondContact O-N 3.21Å; V1412-I1578 HydrophobicContact CG2-CB 4.49Å; F1413-I1578 PolarHBondContact N-O 2.8Å; T1459-I1578 HydrophobicContact CG2-CD1 4.18Å; L1470-I1578 HydrophobicContact CD1-CD1 4.32Å; L1474-I1578 HydrophobicContact CD1-CD1 4.45Å; L1474-I1578 HydrophobicContact CD1-CG2 4.28Å; L1474-I1578 HydrophobicContact CD2-CD1 4.18Å; L1474-I1578 HydrophobicContact CD2-CG2 4.31Å; Y1501-I1578 HydrophobicContact CD2-CG2 4.02Å; Y1501-I1578 HydrophobicContact CG-CG2 4.17Å; Q1502-I1578 CarbonylContact O-C 3.57Å; Q1502-I1578 WeakPolarHBondContact O-CA 3.41Å; L1503-I1578 HydrophobicContact CB-CG1 4.33Å; L1503-I1578 HydrophobicContact CD1-CD1 4.17Å; L1503-I1578 HydrophobicContact CD1-CG1 3.62Å; I1578-I1580 HydrophobicContact CG2-CG1 3.92Å
1579Q82.9Confident65.8Low51 Ų5154.6 Ų54.624%0.23826%0.261CS..EExtended strand (participates in β ladder)trans-97.4113.1169.1-71.7172.3-3600108.7F1413 Y1501 Q1502 N1504F1413-Q1579 CarbonylContact O-C 3.57Å; Y1501-Q1579 CarbonylContact C-O 2.75Å; Y1501-Q1579 WeakPolarHBondContact CA-O 3.4Å; Y1501-Q1579 WeakPolarHBondContact CB-O 3.49Å; Q1502-Q1579 HydrophobicContact CB-CB 4.42Å; Q1502-Q1579 PolarHBondContact N-O 2.95Å; Q1502-Q1579 PolarHBondContact O-N 3.26Å; N1504-Q1579 PolarHBondContact ND2-OE1 3.16Å
1580I82.5Confident63.6Low1 Ų155.5 Ų55.51%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-87.6135.5179.7-67-175.6000110.4V1412 F1413 V1414 H1415 L1474 I1478 L1498 I1578 L1582V1412-I1580 HydrophobicContact CG1-CD1 3.43Å; V1412-I1580 VanDerWaalsContact CG1-CD1 3.43Å; V1412-I1580 HydrophobicContact CG1-CG1 3.98Å; F1413-I1580 WeakPolarHBondContact O-CB 3.45Å; F1413-I1580 PolarHBondContact O-N 3.34Å; V1414-I1580 HydrophobicContact CG2-CB 3.7Å; V1414-I1580 HydrophobicContact CG2-CG2 3.7Å; H1415-I1580 PolarHBondContact N-O 3.13Å; L1474-I1580 HydrophobicContact CD2-CD1 4.25Å; I1478-I1580 HydrophobicContact CD1-CD1 4.1Å; I1478-I1580 HydrophobicContact CD1-CG2 4.32Å; I1478-I1580 HydrophobicContact CG1-CD1 4.25Å; L1498-I1580 HydrophobicContact CD1-CB 4.48Å; L1498-I1580 HydrophobicContact CD1-CD1 4.39Å; L1498-I1580 HydrophobicContact CD1-CG1 4.33Å; L1498-I1580 HydrophobicContact CD1-CG2 3.59Å; I1578-I1580 HydrophobicContact CG2-CG1 3.92Å; I1580-L1582 HydrophobicContact CG2-CD2 3.8Å; I1580-L1582 HydrophobicContact CG2-CG 4.29Å
1581H75.3Confident61.5Low14 Ų1456.1 Ų56.17%0.06528%0.278CS..EExtended strand (participates in β ladder)trans-111.5115.5165.4-57.6-66.7000109.2I1419 Q1499 A1500 C1585I1419-H1581 WeakPolarHBondContact CD1-CE1 3.23Å; I1419-H1581 WeakPolarHBondContact CD1-NE2 3.32Å; Q1499-H1581 PolarHBondContact N-O 2.94Å; A1500-H1581 HydrophobicContact CB-CB 4.33Å; A1500-H1581 PolarHBondContact N-O 3.22Å; A1500-H1581 VanDerWaalsContact N-O 3.07Å; A1500-H1581 PolarHBondContact O-N 2.95Å; A1500-H1581 VanDerWaalsContact O-O 3.08Å; H1581-C1585 HydrophobicContact CB-CB 4.32Å
1582L75.5Confident59.7Low1 Ų162.8 Ų62.81%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-77.1159.5177.3-55.5169.5000110.2V1414 I1478 L1496 Q1499 I1580 G1584 C1585 F1614V1414-L1582 HydrophobicContact CG1-CD1 3.77Å; V1414-L1582 HydrophobicContact CG1-CG 4.22Å; V1414-L1582 HydrophobicContact CG2-CD1 4.32Å; V1414-L1582 HydrophobicContact CG2-CD2 4.2Å; V1414-L1582 HydrophobicContact CG2-CG 4.25Å; I1478-L1582 HydrophobicContact CD1-CD2 3.96Å; L1496-L1582 HydrophobicContact CD1-CD1 4.28Å; L1496-L1582 HydrophobicContact CD2-CD1 3.82Å; L1496-L1582 HydrophobicContact CD2-CD2 4.26Å; L1496-L1582 HydrophobicContact CG-CD1 4.15Å; L1496-L1582 HydrophobicContact CG-CD2 4.21Å; Q1499-L1582 PolarHBondContact OE1-O 3.43Å; I1580-L1582 HydrophobicContact CG2-CD2 3.8Å; I1580-L1582 HydrophobicContact CG2-CG 4.29Å; L1582-G1584 PolarHBondContact O-N 3.09Å; L1582-C1585 PolarHBondContact N-SG 2.61Å; L1582-C1585 WeakPolarHBondContact O-CB 3.31Å; L1582-C1585 PolarHBondContact O-N 2.93Å; L1582-C1585 PolarHBondContact O-SG 3.25Å; L1582-F1614 HydrophobicContact CD1-CD1 4.4Å
1583K67.5Low58Low39 Ų3964.4 Ų64.417%0.1731%0.314CS..THydrogen-bonded Turntrans-60.7120.8175.1-155166.6179.8178.90110.1E1497 Q1499E1497-K1583 HydrophobicContact CB-CB 4.12Å; E1497-K1583 HydrophobicContact CB-CD 3.73Å; E1497-K1583 HydrophobicContact CG-CD 4.31Å; E1497-K1583 PolarHBondContact O-N 3.08Å; E1497-K1583 IonicContact OE1-NZ 2.75Å; E1497-K1583 PolarHBondContact OE1-NZ 3.1Å; E1497-K1583 IonicContact OE2-NZ 2.83Å; E1497-K1583 PolarHBondContact OE2-NZ 2.94Å; Q1499-K1583 HydrophobicContact CB-CB 4.31Å
1584G60.8Low56.2Low12 Ų1264.3 Ų64.312%0.12432%0.317CS..THydrogen-bonded Turntrans98.21.2-173.200000115.4Q1499 L1582 T1586 M1608Q1499-G1584 VanDerWaalsContact OE1-N 3.13Å; L1582-G1584 PolarHBondContact O-N 3.09Å; G1584-T1586 VanDerWaalsContact C-N 3.34Å; G1584-M1608 WeakPolarHBondContact O-CE 3.43Å
1585C53.1Low54.1Low1 Ų170 Ų701%0.00735%0.347CS..  trans-74-20.1173.1-66.10000114.2S1418 H1581 L1582 Y1611S1418-C1585 WeakPolarHBondContact CA-O 3.17Å; S1418-C1585 WeakPolarHBondContact CB-O 3.23Å; H1581-C1585 HydrophobicContact CB-CB 4.32Å; L1582-C1585 PolarHBondContact N-SG 2.61Å; L1582-C1585 WeakPolarHBondContact O-CB 3.31Å; L1582-C1585 PolarHBondContact O-N 2.93Å; L1582-C1585 PolarHBondContact O-SG 3.25Å; C1585-Y1611 HydrophobicContact CB-CE2 4.3Å; C1585-Y1611 VanDerWaalsContact SG-CD2 3.5Å; C1585-Y1611 WeakPolarHBondContact SG-CE2 3.44Å
1586T46.4Very low52Low29 Ų2974.9 Ų74.918%0.17836%0.364CS..  trans-101.2111.8-172.959.90000112.1Y1421 Q1499 G1584 K1588Y1421-T1586 HydrophobicContact CE2-CG2 4.41Å; Q1499-T1586 PolarHBondContact NE2-OG1 2.85Å; G1584-T1586 VanDerWaalsContact C-N 3.34Å; T1586-K1588 PolarHBondContact O-N 2.84Å
1587M35.4Very low49.7Very low52 Ų5278 Ų7826%0.25639%0.385SS..  trans-72.1109.8162.9-60.2-9248.800107.8M1608 P1661M1587-M1608 HydrophobicContact CE-CE 3.87Å; M1587-M1608 HydrophobicContact CE-SD 3.42Å; M1587-M1608 WeakPolarHBondContact CE-SD 3.29Å; M1587-M1608 HydrophobicContact CG-CE 3.99Å; M1587-M1608 HydrophobicContact SD-CE 3.65Å; M1587-M1608 HydrophobicContact SD-SD 3.77Å; M1587-P1661 HydrophobicContact CB-CG 4.36Å; M1587-P1661 HydrophobicContact CE-CG 3.98Å; M1587-P1661 HydrophobicContact CG-CG 4.36Å; M1587-P1661 HydrophobicContact SD-CB 3.7Å; M1587-P1661 HydrophobicContact SD-CG 3.51Å; M1587-P1661 VanDerWaalsContact SD-CG 3.51Å
1588K33.4Very low47.6Very low152 Ų15281.6 Ų81.666%0.66141%0.408SS*.  trans-83.4129.9-179.9-77.7-173.8174.8-179.60110.5T1586T1586-K1588 PolarHBondContact O-N 2.84Å
1589F25.7Very low45.3Very low105 Ų10589.2 Ų89.246%0.46144%0.443SS..  trans-57.2132.3164.3-81.4-97.3000110.4L1591F1589-L1591 HydrophobicContact CB-CG 4.39Å; F1589-L1591 PolarHBondContact O-N 3.38Å
1590P26Very low43.2Very low87 Ų8791.3 Ų91.357%0.56545%0.453SS*.  trans-75.877.1169.931.4-33.9000110.3Q1592P1590-Q1592 PolarHBondContact O-N 3.17Å
1591L24.9Very low41.7Very low160 Ų16095.1 Ų95.184%0.83847%0.471SS*.  trans-74.352.5170.9-78.8173000112.4F1589F1589-L1591 HydrophobicContact CB-CG 4.39Å; F1589-L1591 PolarHBondContact O-N 3.38Å
1592Q26.6Very low40.4Very low150 Ų15098.7 Ų98.770%0.70149%0.493SS*.SBendtrans-176.6141.3157.5-108.3160.6-8.900109.7P1590 D1594P1590-Q1592 PolarHBondContact O-N 3.17Å; Q1592-D1594 WeakPolarHBondContact CG-OD2 3.28Å; Q1592-D1594 PolarHBondContact O-N 2.86Å; Q1592-D1594 VanDerWaalsContact O-N 3.17Å
1593K27Very low39Very low219 Ų219105.1 Ų105.195%0.95252%0.521SS*.  trans-83.731177.8-81-171.2173-178.20112.8
1594D28.6Very low38.7Very low112 Ų112108.2 Ų108.260%0.59954%0.536SS*.  trans-100.4136-174.8-65.8-66.8000111.8Q1592 K1596Q1592-D1594 WeakPolarHBondContact CG-OD2 3.28Å; Q1592-D1594 PolarHBondContact O-N 2.86Å; Q1592-D1594 VanDerWaalsContact O-N 3.17Å; D1594-K1596 PolarHBondContact O-N 3.12Å
1595Q34.6Very low39Very low200 Ų200109 Ų10994%0.93554%0.537SS*.  trans-69.994.6-172.5-66.1178.2-6.200111.5
1596K33.8Very low39.9Very low152 Ų152115 Ų11566%0.66156%0.563SS**  trans-70.4140174.5-70.9-177.5-180177.10111.4D1594D1594-K1596 PolarHBondContact O-N 3.12Å
1597P33.7Very low41.1Very low77 Ų77114.4 Ų114.450%0.556%0.558SS.*  trans-69.2147.7-177.728.5-35.2000111.8H1599 Q1600P1597-H1599 PolarHBondContact O-N 2.98Å; P1597-Q1600 PolarHBondContact O-N 3.32Å
1598P40.6Very low42.8Very low99 Ų99113.1 Ų113.164%0.64355%0.551SS**Hα-helixtrans-60.3-21.4-17022.4-34.2000114.7Q1600 H1601P1598-Q1600 VanDerWaalsContact C-N 3.35Å; P1598-Q1600 PolarHBondContact O-N 2.96Å; P1598-H1601 PolarHBondContact O-N 3.13Å
1599H36Very low45Very low160 Ų160106.3 Ų106.374%0.74152%0.522SS*.Hα-helixtrans-66.3-27.7179.5-65.7-69.6000114.6P1597P1597-H1599 PolarHBondContact O-N 2.98Å
1600Q39.7Very low47.6Very low96 Ų96101.7 Ų101.745%0.44950%0.502SS..Hα-helixtrans-71.6-41177-86.5-176.3-26.200112P1597 P1598 V1602 F1603 E1604P1597-Q1600 PolarHBondContact O-N 3.32Å; P1598-Q1600 VanDerWaalsContact C-N 3.35Å; P1598-Q1600 PolarHBondContact O-N 2.96Å; Q1600-V1602 PolarHBondContact O-N 2.99Å; Q1600-F1603 WeakPolarHBondContact O-CB 3.46Å; Q1600-F1603 PolarHBondContact O-N 2.96Å; Q1600-E1604 PolarHBondContact O-N 3.31Å
1601H50.7Low50Low81 Ų8198.6 Ų98.638%0.37548%0.479SS..Hα-helixtrans-63.9-30.4-177.1-152.4-39.6000112.7P1598 Q1605P1598-H1601 PolarHBondContact O-N 3.13Å; H1601-Q1605 PolarHBondContact ND1-NE2 2.99Å; H1601-Q1605 WeakPolarHBondContact O-CG 3.28Å; H1601-Q1605 PolarHBondContact O-N 3.32Å
1602V48.4Very low52.5Low89 Ų8991.6 Ų91.654%0.53944%0.443SS..Hα-helixtrans-71-33.8173.6177.50000111.9Q1600 K1606Q1600-V1602 PolarHBondContact O-N 2.99Å; V1602-K1606 PolarHBondContact O-N 3.46Å
1603F46.4Very low55.2Low135 Ų13584.5 Ų84.559%0.59241%0.41SS*.Hα-helixtrans-70.9-47.3-179.9-156.1-78.3000111.1Q1600 Q1605 K1606 E1607Q1600-F1603 WeakPolarHBondContact O-CB 3.46Å; Q1600-F1603 PolarHBondContact O-N 2.96Å; F1603-Q1605 VanDerWaalsContact C-N 3.34Å; F1603-Q1605 PolarHBondContact O-N 3.12Å; F1603-K1606 PolarHBondContact O-N 3.42Å; F1603-K1606 VanDerWaalsContact O-N 3.13Å; F1603-E1607 HydrophobicContact CD1-CG 4.33Å; F1603-E1607 HydrophobicContact CE1-CG 4.28Å; F1603-E1607 PolarHBondContact O-N 3.01Å
1604E61Low57.7Low105 Ų10574.1 Ų74.149%0.49137%0.365SS..Hα-helixtrans-60.4-42.8177.4-66.4-178.9153.900111.5Q1600 K1606 E1607 M1608Q1600-E1604 PolarHBondContact O-N 3.31Å; E1604-K1606 VanDerWaalsContact C-N 3.3Å; E1604-K1606 PolarHBondContact O-N 3.01Å; E1604-E1607 PolarHBondContact O-N 3.36Å; E1604-M1608 WeakPolarHBondContact O-CG 3.49Å; E1604-M1608 PolarHBondContact O-N 3.01Å
1605Q67.9Low60.1Low28 Ų2870.1 Ų70.113%0.13135%0.35CS..Hα-helixtrans-60.7-34.4175.1-74.8171-10.200113.5H1601 F1603 L1609 R1631 I1656H1601-Q1605 PolarHBondContact ND1-NE2 2.99Å; H1601-Q1605 WeakPolarHBondContact O-CG 3.28Å; H1601-Q1605 PolarHBondContact O-N 3.32Å; F1603-Q1605 VanDerWaalsContact C-N 3.34Å; F1603-Q1605 PolarHBondContact O-N 3.12Å; Q1605-L1609 WeakPolarHBondContact O-CB 3.37Å; Q1605-L1609 PolarHBondContact O-N 3.29Å; Q1605-R1631 VanDerWaalsContact OE1-NH1 3.08Å; Q1605-I1656 HydrophobicContact CB-CG2 4.3Å; Q1605-I1656 HydrophobicContact CG-CG2 4.26Å
1606K71Confident62.1Low128 Ų12862 Ų6256%0.55732%0.315SS*.Hα-helixtrans-69.8-37.9177.6-168179.1-179.7-175.50111.9V1602 F1603 E1604 L1609 K1610V1602-K1606 PolarHBondContact O-N 3.46Å; F1603-K1606 PolarHBondContact O-N 3.42Å; F1603-K1606 VanDerWaalsContact O-N 3.13Å; E1604-K1606 VanDerWaalsContact C-N 3.3Å; E1604-K1606 PolarHBondContact O-N 3.01Å; K1606-L1609 PolarHBondContact O-N 3.04Å; K1606-K1610 PolarHBondContact O-N 2.7Å
1607E71.1Confident64.4Low16 Ų1655 Ų558%0.07529%0.285CS..Hα-helixtrans-69.4-42.7175.2-59.9-54.8111.600111.5F1603 E1604 L1609 K1610 Y1611F1603-E1607 HydrophobicContact CD1-CG 4.33Å; F1603-E1607 HydrophobicContact CE1-CG 4.28Å; F1603-E1607 PolarHBondContact O-N 3.01Å; E1604-E1607 PolarHBondContact O-N 3.36Å; E1607-L1609 PolarHBondContact O-N 3.15Å; E1607-K1610 WeakPolarHBondContact O-CB 3.38Å; E1607-K1610 PolarHBondContact O-N 3.22Å; E1607-K1610 VanDerWaalsContact O-N 3.11Å; E1607-K1610 WeakPolarHBondContact OE1-CE 3.27Å; E1607-K1610 IonicContact OE1-NZ 3.88Å; E1607-K1610 PolarHBondContact OE1-NZ 3.09Å; E1607-K1610 IonicContact OE2-NZ 3.71Å; E1607-K1610 PolarHBondContact OE2-NZ 3.42Å; E1607-Y1611 PolarHBondContact O-N 3.19Å
1608M72.3Confident66.8Low24 Ų2451.6 Ų51.612%0.11826%0.263CS..Hα-helixtrans-60.9-30.7173.1-60.2-150.893.900112.6G1584 M1587 E1604 Y1611 V1612 I1656G1584-M1608 WeakPolarHBondContact O-CE 3.43Å; M1587-M1608 HydrophobicContact CE-CE 3.87Å; M1587-M1608 HydrophobicContact CE-SD 3.42Å; M1587-M1608 WeakPolarHBondContact CE-SD 3.29Å; M1587-M1608 HydrophobicContact CG-CE 3.99Å; M1587-M1608 HydrophobicContact SD-CE 3.65Å; M1587-M1608 HydrophobicContact SD-SD 3.77Å; E1604-M1608 WeakPolarHBondContact O-CG 3.49Å; E1604-M1608 PolarHBondContact O-N 3.01Å; M1608-Y1611 WeakPolarHBondContact O-CB 3.28Å; M1608-Y1611 PolarHBondContact O-N 3.4Å; M1608-V1612 PolarHBondContact O-N 3.49Å; M1608-I1656 HydrophobicContact CB-CD1 3.98Å; M1608-I1656 HydrophobicContact CB-CG1 3.95Å
1609L79.9Confident68.9Low9 Ų947.8 Ų47.85%0.04724%0.238CC..Hα-helixtrans-70.4-34.6175.5-162.765.3000112.9Q1605 K1606 E1607 Y1611 V1612 C1613 L1620 L1623 L1627 L1653 I1656Q1605-L1609 WeakPolarHBondContact O-CB 3.37Å; Q1605-L1609 PolarHBondContact O-N 3.29Å; K1606-L1609 PolarHBondContact O-N 3.04Å; E1607-L1609 PolarHBondContact O-N 3.15Å; L1609-Y1611 VanDerWaalsContact C-N 3.26Å; L1609-Y1611 PolarHBondContact O-N 2.77Å; L1609-V1612 PolarHBondContact O-N 3.11Å; L1609-C1613 WeakPolarHBondContact O-CB 3.4Å; L1609-C1613 PolarHBondContact O-N 2.92Å; L1609-L1620 HydrophobicContact CB-CD1 4.12Å; L1609-L1620 HydrophobicContact CD2-CD1 3.8Å; L1609-L1620 HydrophobicContact CG-CD1 3.74Å; L1609-L1623 HydrophobicContact CD1-CB 3.86Å; L1609-L1623 HydrophobicContact CD2-CB 4.34Å; L1609-L1623 HydrophobicContact CG-CB 4.16Å; L1609-L1627 HydrophobicContact CD1-CD1 3.56Å; L1609-L1627 HydrophobicContact CD1-CG 4.15Å; L1609-L1627 HydrophobicContact CD2-CD1 4.06Å; L1609-L1627 HydrophobicContact CG-CD1 4.31Å; L1609-L1653 HydrophobicContact CD1-CD2 4.14Å; L1609-I1656 HydrophobicContact CD1-CD1 4.16Å
1610K79.4Confident71.2Confident9 Ų941.1 Ų41.14%0.03921%0.208CC..Hα-helixtrans-60.8-38.1170.9-63.8175-178.1170.40111.4L1493 S1495 L1496 K1606 E1607 C1613 F1614 L1620L1493-K1610 HydrophobicContact CD2-CB 4.17Å; S1495-K1610 PolarHBondContact O-NZ 3.36Å; S1495-K1610 VanDerWaalsContact OG-CE 3.26Å; S1495-K1610 WeakPolarHBondContact OG-CE 3.39Å; S1495-K1610 PolarHBondContact OG-NZ 3.18Å; S1495-K1610 VanDerWaalsContact OG-NZ 3.16Å; L1496-K1610 HydrophobicContact CD1-CB 3.88Å; L1496-K1610 HydrophobicContact CD1-CD 4.43Å; K1606-K1610 PolarHBondContact O-N 2.7Å; E1607-K1610 WeakPolarHBondContact O-CB 3.38Å; E1607-K1610 PolarHBondContact O-N 3.22Å; E1607-K1610 VanDerWaalsContact O-N 3.11Å; E1607-K1610 WeakPolarHBondContact OE1-CE 3.27Å; E1607-K1610 IonicContact OE1-NZ 3.88Å; E1607-K1610 PolarHBondContact OE1-NZ 3.09Å; E1607-K1610 IonicContact OE2-NZ 3.71Å; E1607-K1610 PolarHBondContact OE2-NZ 3.42Å; K1610-C1613 WeakPolarHBondContact O-CB 3.48Å; K1610-C1613 PolarHBondContact O-N 3.36Å; K1610-F1614 PolarHBondContact O-N 2.96Å; K1610-L1620 HydrophobicContact CG-CD2 4.44Å
1611Y76.6Confident73.3Confident21 Ų2140.9 Ų40.98%0.08221%0.208CC..Hα-helixtrans-67.8-42.7177.8175.8-115.4000112.3H1415 T1416 E1417 C1585 E1607 M1608 L1609 C1613 F1614 G1615H1415-Y1611 PolarHBondContact O-OH 3.38Å; T1416-Y1611 VanDerWaalsContact CA-OH 3.29Å; T1416-Y1611 WeakPolarHBondContact CA-OH 3.39Å; T1416-Y1611 HydrophobicContact CG2-CE2 4.07Å; T1416-Y1611 PolarHBondContact O-OH 2.77Å; E1417-Y1611 VanDerWaalsContact CA-OH 3.27Å; E1417-Y1611 WeakPolarHBondContact CA-OH 3.26Å; E1417-Y1611 PolarHBondContact N-OH 3.39Å; E1417-Y1611 PolarHBondContact O-OH 2.82Å; C1585-Y1611 HydrophobicContact CB-CE2 4.3Å; C1585-Y1611 VanDerWaalsContact SG-CD2 3.5Å; C1585-Y1611 WeakPolarHBondContact SG-CE2 3.44Å; E1607-Y1611 PolarHBondContact O-N 3.19Å; M1608-Y1611 WeakPolarHBondContact O-CB 3.28Å; M1608-Y1611 PolarHBondContact O-N 3.4Å; L1609-Y1611 VanDerWaalsContact C-N 3.26Å; L1609-Y1611 PolarHBondContact O-N 2.77Å; Y1611-C1613 VanDerWaalsContact C-N 3.35Å; Y1611-F1614 PolarHBondContact O-N 2.85Å; Y1611-G1615 PolarHBondContact O-N 3.49Å
1612V78Confident74.9Confident14 Ų1438.7 Ų38.79%0.08520%0.201CC..Hα-helixtrans-67.2-34.6171.9174.50000111.7M1608 L1609 G1615 S1616 L1623 L1649 D1652 I1656M1608-V1612 PolarHBondContact O-N 3.49Å; L1609-V1612 PolarHBondContact O-N 3.11Å; V1612-G1615 PolarHBondContact O-N 3.46Å; V1612-S1616 VanDerWaalsContact O-CB 3.25Å; V1612-S1616 WeakPolarHBondContact O-CB 3.22Å; V1612-S1616 PolarHBondContact O-N 3.15Å; V1612-S1616 PolarHBondContact O-OG 3.35Å; V1612-L1623 HydrophobicContact CG1-CD1 4.36Å; V1612-L1649 HydrophobicContact CG1-CD1 4.48Å; V1612-D1652 HydrophobicContact CG1-CB 4.17Å; V1612-D1652 HydrophobicContact CG2-CB 3.96Å; V1612-I1656 HydrophobicContact CB-CD1 4.28Å; V1612-I1656 HydrophobicContact CG2-CD1 3.62Å
1613C83Confident76.7Confident0 Ų034.4 Ų34.40%018%0.175CC..Hα-helixtrans-58.2-49.6169.1179.40000111.4L1493 L1609 K1610 Y1611 G1615 S1616 L1617 I1618 L1620 L1623L1493-C1613 HydrophobicContact CD2-CB 4.21Å; L1609-C1613 WeakPolarHBondContact O-CB 3.4Å; L1609-C1613 PolarHBondContact O-N 2.92Å; K1610-C1613 WeakPolarHBondContact O-CB 3.48Å; K1610-C1613 PolarHBondContact O-N 3.36Å; Y1611-C1613 VanDerWaalsContact C-N 3.35Å; C1613-G1615 PolarHBondContact O-N 2.72Å; C1613-S1616 PolarHBondContact O-N 2.91Å; C1613-L1617 WeakPolarHBondContact O-CA 3.46Å; C1613-L1617 PolarHBondContact O-N 3.39Å; C1613-I1618 PolarHBondContact SG-O 3.26Å; C1613-L1620 HydrophobicContact CB-CD1 4.34Å; C1613-L1623 HydrophobicContact CB-CD1 3.77Å
1614F79.8Confident78.5Confident2 Ų230.6 Ų30.61%0.00917%0.165CC..Hα-helixtrans-61.5-44.1176.8-177.5-91.6000112.7V1414 T1416 F1454 I1456 Y1481 L1493 L1496 L1582 K1610 Y1611 R1773V1414-F1614 HydrophobicContact CB-CE1 4.41Å; V1414-F1614 HydrophobicContact CG1-CD1 4.42Å; V1414-F1614 HydrophobicContact CG1-CE1 3.82Å; V1414-F1614 HydrophobicContact CG1-CZ 4.46Å; T1416-F1614 HydrophobicContact CG2-CD1 4.2Å; T1416-F1614 HydrophobicContact CG2-CE1 4.35Å; F1454-F1614 HydrophobicContact CD2-CE1 4.28Å; I1456-F1614 HydrophobicContact CD1-CZ 3.88Å; Y1481-F1614 AromaticContact CD1-CE2 3.93Å; Y1481-F1614 HydrophobicContact CD1-CE2 3.93Å; Y1481-F1614 HydrophobicContact CD1-CZ 4.12Å; Y1481-F1614 AromaticContact CE1-CE2 3.64Å; Y1481-F1614 HydrophobicContact CE1-CE2 3.64Å; Y1481-F1614 AromaticContact CE1-CZ 3.53Å; Y1481-F1614 HydrophobicContact CE1-CZ 3.53Å; L1493-F1614 HydrophobicContact CD1-CB 4.43Å; L1493-F1614 HydrophobicContact CD1-CD2 4.41Å; L1496-F1614 HydrophobicContact CD2-CD2 3.83Å; L1496-F1614 HydrophobicContact CD2-CE2 4.4Å; L1496-F1614 HydrophobicContact CD2-CG 4.37Å; L1582-F1614 HydrophobicContact CD1-CD1 4.4Å; K1610-F1614 PolarHBondContact O-N 2.96Å; Y1611-F1614 PolarHBondContact O-N 2.85Å; F1614-R1773 PolarHBondContact O-NH1 2.85Å; F1614-R1773 PolarHBondContact O-NH2 2.84Å
1615G77.7Confident79.6Confident28 Ų2828.9 Ų28.929%0.28916%0.162SC..Hα-helixtrans-63.3-52176.800000112.4Y1611 V1612 C1613 R1773Y1611-G1615 PolarHBondContact O-N 3.49Å; V1612-G1615 PolarHBondContact O-N 3.46Å; C1613-G1615 PolarHBondContact O-N 2.72Å; G1615-R1773 PolarHBondContact O-NH1 2.88Å
1616S78.1Confident80.4Confident28 Ų2828.4 Ų28.420%0.19616%0.159CC..Hα-helixtrans-86.8-15.5-170.567.40000116.1V1612 C1613 I1618 Y1766V1612-S1616 VanDerWaalsContact O-CB 3.25Å; V1612-S1616 WeakPolarHBondContact O-CB 3.22Å; V1612-S1616 PolarHBondContact O-N 3.15Å; V1612-S1616 PolarHBondContact O-OG 3.35Å; C1613-S1616 PolarHBondContact O-N 2.91Å; S1616-I1618 PolarHBondContact O-N 3.48Å; S1616-Y1766 VanDerWaalsContact O-CE2 3.31Å; S1616-Y1766 WeakPolarHBondContact O-CE2 3.48Å
1617L82.1Confident81Confident6 Ų622.7 Ų22.73%0.03114%0.135CC..  trans59.923-174.1-57.8171.2000114.6L1485 L1491 C1613 R1769 R1773L1485-L1617 HydrophobicContact CD1-CD2 4.06Å; L1491-L1617 HydrophobicContact CD1-CD2 4.26Å; C1613-L1617 WeakPolarHBondContact O-CA 3.46Å; C1613-L1617 PolarHBondContact O-N 3.39Å; L1617-R1769 HydrophobicContact CB-CB 4.24Å; L1617-R1769 HydrophobicContact CD1-CB 4.23Å; L1617-R1769 HydrophobicContact CD2-CB 4.45Å; L1617-R1769 PolarHBondContact O-NE 3.06Å; L1617-R1773 HydrophobicContact CD1-CB 4.42Å
1618I83.3Confident81.6Confident5 Ų524.3 Ų24.33%0.02615%0.147CC..  trans-97.2132.5174.4-56.8159.9000108.8C1613 S1616 T1622 L1623 L1649 Y1766C1613-I1618 PolarHBondContact SG-O 3.26Å; S1616-I1618 PolarHBondContact O-N 3.48Å; I1618-T1622 HydrophobicContact CG2-CG2 4.04Å; I1618-L1623 HydrophobicContact CB-CD1 4.25Å; I1618-L1623 HydrophobicContact CB-CD2 3.99Å; I1618-L1623 HydrophobicContact CB-CG 4.03Å; I1618-L1623 HydrophobicContact CD1-CD2 4.11Å; I1618-L1623 HydrophobicContact CG2-CD2 3.84Å; I1618-L1623 HydrophobicContact CG2-CG 3.86Å; I1618-L1623 WeakPolarHBondContact O-CD1 3.47Å; I1618-L1649 HydrophobicContact CD1-CD1 3.87Å; I1618-L1649 HydrophobicContact CD1-CD2 3.79Å; I1618-L1649 HydrophobicContact CD1-CG 4.34Å; I1618-Y1766 HydrophobicContact CG1-CD2 4.41Å; I1618-Y1766 HydrophobicContact CG1-CE2 4.33Å
1619P85.3Confident82.1Confident20 Ų2023.6 Ų23.613%0.1314%0.144CC..  trans-52.1140.9-179.4-30.937000115.4I1621 T1622 L1623P1619-I1621 VanDerWaalsContact C-N 3.28Å; P1619-I1621 PolarHBondContact O-N 3.34Å; P1619-T1622 WeakPolarHBondContact O-CB 3.35Å; P1619-T1622 PolarHBondContact O-N 3.16Å; P1619-L1623 PolarHBondContact O-N 2.71Å
1620L84.1Confident82.2Confident19 Ų1923.2 Ų23.210%0.09914%0.143CC..Hα-helixtrans-60.2-35.1-177.4-173.764.2000112.8L1491 L1609 K1610 C1613 S1624L1491-L1620 WeakPolarHBondContact O-CB 3.44Å; L1609-L1620 HydrophobicContact CB-CD1 4.12Å; L1609-L1620 HydrophobicContact CD2-CD1 3.8Å; L1609-L1620 HydrophobicContact CG-CD1 3.74Å; K1610-L1620 HydrophobicContact CG-CD2 4.44Å; C1613-L1620 HydrophobicContact CB-CD1 4.34Å; L1620-S1624 VanDerWaalsContact O-CB 3.32Å; L1620-S1624 WeakPolarHBondContact O-CB 3.31Å; L1620-S1624 PolarHBondContact O-N 3.38Å; L1620-S1624 PolarHBondContact O-OG 3.34Å
1621I83.8Confident82.2Confident91 Ų9127.2 Ų27.247%0.46716%0.157SC..Hα-helixtrans-59.2-51.7173.2-63.8175000110.1P1619 L1623 S1624 T1625P1619-I1621 VanDerWaalsContact C-N 3.28Å; P1619-I1621 PolarHBondContact O-N 3.34Å; I1621-L1623 PolarHBondContact O-N 2.64Å; I1621-S1624 PolarHBondContact O-N 2.89Å; I1621-S1624 PolarHBondContact O-OG 2.76Å; I1621-T1625 WeakPolarHBondContact O-CB 3.36Å; I1621-T1625 PolarHBondContact O-N 3.1Å; I1621-T1625 PolarHBondContact O-OG1 3.46Å
1622T84.5Confident82.3Confident35 Ų3532 Ų3222%0.21519%0.185CC..Hα-helixtrans-59.8-48.4-179.3-51.80000110.8I1618 P1619 S1624 T1625 Y1626I1618-T1622 HydrophobicContact CG2-CG2 4.04Å; P1619-T1622 WeakPolarHBondContact O-CB 3.35Å; P1619-T1622 PolarHBondContact O-N 3.16Å; T1622-S1624 VanDerWaalsContact C-N 3.35Å; T1622-S1624 PolarHBondContact O-N 2.79Å; T1622-T1625 WeakPolarHBondContact O-CB 3.43Å; T1622-T1625 PolarHBondContact O-N 3Å; T1622-T1625 VanDerWaalsContact O-N 3.17Å; T1622-Y1626 HydrophobicContact CG2-CD1 4.35Å; T1622-Y1626 HydrophobicContact CG2-CE1 3.63Å; T1622-Y1626 HydrophobicContact CG2-CE2 3.92Å; T1622-Y1626 WeakPolarHBondContact CG2-OH 3.09Å; T1622-Y1626 VanDerWaalsContact O-CD1 3.23Å; T1622-Y1626 WeakPolarHBondContact O-CD1 3.25Å; T1622-Y1626 VanDerWaalsContact O-CG 3.3Å; T1622-Y1626 PolarHBondContact O-N 3.06Å
1623L84.9Confident82.2Confident0 Ų033.3 Ų33.30%019%0.191CC..Hα-helixtrans-61.7-38.4175.8-67.5177.2000113.1L1609 V1612 C1613 I1618 P1619 I1621 T1625 Y1626 L1627 L1649 L1653L1609-L1623 HydrophobicContact CD1-CB 3.86Å; L1609-L1623 HydrophobicContact CD2-CB 4.34Å; L1609-L1623 HydrophobicContact CG-CB 4.16Å; V1612-L1623 HydrophobicContact CG1-CD1 4.36Å; C1613-L1623 HydrophobicContact CB-CD1 3.77Å; I1618-L1623 HydrophobicContact CB-CD1 4.25Å; I1618-L1623 HydrophobicContact CB-CD2 3.99Å; I1618-L1623 HydrophobicContact CB-CG 4.03Å; I1618-L1623 HydrophobicContact CD1-CD2 4.11Å; I1618-L1623 HydrophobicContact CG2-CD2 3.84Å; I1618-L1623 HydrophobicContact CG2-CG 3.86Å; I1618-L1623 WeakPolarHBondContact O-CD1 3.47Å; P1619-L1623 PolarHBondContact O-N 2.71Å; I1621-L1623 PolarHBondContact O-N 2.64Å; L1623-T1625 VanDerWaalsContact C-N 3.33Å; L1623-Y1626 PolarHBondContact O-N 3.48Å; L1623-L1627 PolarHBondContact O-N 2.62Å; L1623-L1649 HydrophobicContact CD2-CD1 3.53Å; L1623-L1653 HydrophobicContact CD2-CD2 4.45Å
1624S84.7Confident81.7Confident55 Ų5536.3 Ų36.339%0.38521%0.212SC..Hα-helixtrans-68.3-33.6176.375.60000112.5L1620 I1621 T1622 L1627 S1628L1620-S1624 VanDerWaalsContact O-CB 3.32Å; L1620-S1624 WeakPolarHBondContact O-CB 3.31Å; L1620-S1624 PolarHBondContact O-N 3.38Å; L1620-S1624 PolarHBondContact O-OG 3.34Å; I1621-S1624 PolarHBondContact O-N 2.89Å; I1621-S1624 PolarHBondContact O-OG 2.76Å; T1622-S1624 VanDerWaalsContact C-N 3.35Å; T1622-S1624 PolarHBondContact O-N 2.79Å; S1624-L1627 PolarHBondContact O-N 2.8Å; S1624-S1628 PolarHBondContact O-N 3.26Å; S1624-S1628 PolarHBondContact O-OG 2.7Å
1625T83.9Confident81.5Confident68 Ų6837.2 Ų37.242%0.41722%0.216SC..Hα-helixtrans-71.8-31.1175.2-54.10000111.7I1621 T1622 L1623 S1628 T1629I1621-T1625 WeakPolarHBondContact O-CB 3.36Å; I1621-T1625 PolarHBondContact O-N 3.1Å; I1621-T1625 PolarHBondContact O-OG1 3.46Å; T1622-T1625 WeakPolarHBondContact O-CB 3.43Å; T1622-T1625 PolarHBondContact O-N 3Å; T1622-T1625 VanDerWaalsContact O-N 3.17Å; L1623-T1625 VanDerWaalsContact C-N 3.33Å; T1625-S1628 WeakPolarHBondContact CA-OG 3.39Å; T1625-S1628 PolarHBondContact O-OG 3.32Å; T1625-S1628 VanDerWaalsContact O-OG 3.09Å; T1625-T1629 VanDerWaalsContact O-CB 3.23Å; T1625-T1629 WeakPolarHBondContact O-CB 3.33Å; T1625-T1629 PolarHBondContact O-N 2.89Å; T1625-T1629 VanDerWaalsContact O-N 3.12Å; T1625-T1629 PolarHBondContact O-OG1 3.37Å
1626Y85.4Confident81.6Confident18 Ų1835.9 Ų35.97%0.07120%0.203CC..Hα-helixtrans-71.4-44.2171.6-64.8-1.1000110.5T1622 L1623 T1629 I1630 L1649 I1754 N1755 H1756T1622-Y1626 HydrophobicContact CG2-CD1 4.35Å; T1622-Y1626 HydrophobicContact CG2-CE1 3.63Å; T1622-Y1626 HydrophobicContact CG2-CE2 3.92Å; T1622-Y1626 WeakPolarHBondContact CG2-OH 3.09Å; T1622-Y1626 VanDerWaalsContact O-CD1 3.23Å; T1622-Y1626 WeakPolarHBondContact O-CD1 3.25Å; T1622-Y1626 VanDerWaalsContact O-CG 3.3Å; T1622-Y1626 PolarHBondContact O-N 3.06Å; L1623-Y1626 PolarHBondContact O-N 3.48Å; Y1626-T1629 WeakPolarHBondContact O-CB 3.35Å; Y1626-T1629 PolarHBondContact O-N 3.3Å; Y1626-I1630 WeakPolarHBondContact O-CD1 3.41Å; Y1626-I1630 VanDerWaalsContact O-CG1 3.27Å; Y1626-I1630 WeakPolarHBondContact O-CG1 3.35Å; Y1626-I1630 PolarHBondContact O-N 3.46Å; Y1626-L1649 HydrophobicContact CD2-CD2 4.15Å; Y1626-L1649 HydrophobicContact CE2-CD2 4.11Å; Y1626-I1754 HydrophobicContact CD1-CD1 4.04Å; Y1626-I1754 HydrophobicContact CD1-CG1 4.42Å; Y1626-I1754 HydrophobicContact CD1-CG2 3.51Å; Y1626-I1754 HydrophobicContact CD2-CG2 4.2Å; Y1626-I1754 HydrophobicContact CE1-CG2 3.24Å; Y1626-I1754 HydrophobicContact CE2-CG2 3.96Å; Y1626-I1754 HydrophobicContact CG-CD1 4.02Å; Y1626-I1754 HydrophobicContact CG-CG2 3.99Å; Y1626-I1754 VanDerWaalsContact CZ-CG2 3.47Å; Y1626-N1755 PolarHBondContact OH-O 3.47Å; Y1626-N1755 VanDerWaalsContact OH-O 3.06Å; Y1626-H1756 AromaticContact CE2-ND1 3.71Å; Y1626-H1756 WeakPolarHBondContact OH-CA 3.49Å
1627L83.9Confident81.7Confident9 Ų934.6 Ų34.65%0.04719%0.194CC..Hα-helixtrans-63.9-41.8175.6-82.6-172000113.7L1609 L1623 S1624 T1629 I1630 R1631 L1653 I1656 L1657L1609-L1627 HydrophobicContact CD1-CD1 3.56Å; L1609-L1627 HydrophobicContact CD1-CG 4.15Å; L1609-L1627 HydrophobicContact CD2-CD1 4.06Å; L1609-L1627 HydrophobicContact CG-CD1 4.31Å; L1623-L1627 PolarHBondContact O-N 2.62Å; S1624-L1627 PolarHBondContact O-N 2.8Å; L1627-T1629 VanDerWaalsContact C-N 3.35Å; L1627-I1630 PolarHBondContact O-N 3.37Å; L1627-R1631 WeakPolarHBondContact O-CB 3.46Å; L1627-R1631 VanDerWaalsContact O-CG 3.25Å; L1627-R1631 WeakPolarHBondContact O-CG 3.01Å; L1627-R1631 PolarHBondContact O-N 3.09Å; L1627-L1653 HydrophobicContact CD2-CB 4.35Å; L1627-L1653 HydrophobicContact CD2-CD2 3.89Å; L1627-L1653 HydrophobicContact CG-CD2 3.95Å; L1627-I1656 HydrophobicContact CD1-CG2 3.86Å; L1627-L1657 HydrophobicContact CD2-CD1 4.12Å; L1627-L1657 HydrophobicContact CD2-CD2 3.9Å; L1627-L1657 HydrophobicContact CD2-CG 3.75Å
1628S83.2Confident81.7Confident49 Ų4934.3 Ų34.334%0.34319%0.192SC..Hα-helixtrans-62.6-45.4173.557.90000110.5S1624 T1625 I1630 R1631 D1632S1624-S1628 PolarHBondContact O-N 3.26Å; S1624-S1628 PolarHBondContact O-OG 2.7Å; T1625-S1628 WeakPolarHBondContact CA-OG 3.39Å; T1625-S1628 PolarHBondContact O-OG 3.32Å; T1625-S1628 VanDerWaalsContact O-OG 3.09Å; S1628-I1630 VanDerWaalsContact C-N 3.32Å; S1628-I1630 PolarHBondContact O-N 2.93Å; S1628-R1631 WeakPolarHBondContact O-CA 3.45Å; S1628-R1631 WeakPolarHBondContact O-CB 3.19Å; S1628-R1631 PolarHBondContact O-N 3.26Å; S1628-D1632 PolarHBondContact O-N 3.4Å
1629T81.8Confident81.4Confident9 Ų934.8 Ų34.86%0.05519%0.194CC..Hα-helixtrans-55.7-42.7175.5-68.70000113.3T1625 Y1626 L1627 R1631 N1633 V1636 K1752 I1754T1625-T1629 VanDerWaalsContact O-CB 3.23Å; T1625-T1629 WeakPolarHBondContact O-CB 3.33Å; T1625-T1629 PolarHBondContact O-N 2.89Å; T1625-T1629 VanDerWaalsContact O-N 3.12Å; T1625-T1629 PolarHBondContact O-OG1 3.37Å; Y1626-T1629 WeakPolarHBondContact O-CB 3.35Å; Y1626-T1629 PolarHBondContact O-N 3.3Å; L1627-T1629 VanDerWaalsContact C-N 3.35Å; T1629-R1631 VanDerWaalsContact C-N 3.34Å; T1629-N1633 PolarHBondContact O-N 3.39Å; T1629-N1633 PolarHBondContact O-ND2 3.32Å; T1629-V1636 HydrophobicContact CG2-CG1 4.16Å; T1629-V1636 HydrophobicContact CG2-CG2 4.14Å; T1629-K1752 HydrophobicContact CG2-CB 4.43Å; T1629-K1752 HydrophobicContact CG2-CD 3.66Å; T1629-K1752 HydrophobicContact CG2-CG 3.93Å; T1629-K1752 PolarHBondContact OG1-NZ 3.06Å; T1629-I1754 HydrophobicContact CG2-CD1 3.73Å; T1629-I1754 HydrophobicContact CG2-CG1 3.68Å
1630I82.9Confident80.8Confident2 Ų234 Ų341%0.0119%0.189CC..Hα-helixtrans-77-19.5176.9-56.9158.5000112.2Y1626 L1627 S1628 V1636 L1653 L1657 K1730 V1732 I1754Y1626-I1630 WeakPolarHBondContact O-CD1 3.41Å; Y1626-I1630 VanDerWaalsContact O-CG1 3.27Å; Y1626-I1630 WeakPolarHBondContact O-CG1 3.35Å; Y1626-I1630 PolarHBondContact O-N 3.46Å; L1627-I1630 PolarHBondContact O-N 3.37Å; S1628-I1630 VanDerWaalsContact C-N 3.32Å; S1628-I1630 PolarHBondContact O-N 2.93Å; I1630-V1636 HydrophobicContact CB-CG2 4.47Å; I1630-V1636 HydrophobicContact CG1-CB 4.08Å; I1630-V1636 HydrophobicContact CG1-CG1 3.89Å; I1630-V1636 HydrophobicContact CG1-CG2 4.11Å; I1630-L1653 HydrophobicContact CD1-CD1 4.08Å; I1630-L1657 HydrophobicContact CB-CD1 4.04Å; I1630-L1657 HydrophobicContact CB-CD2 4.49Å; I1630-L1657 HydrophobicContact CD1-CD1 4.31Å; I1630-L1657 HydrophobicContact CG2-CD1 3.38Å; I1630-L1657 HydrophobicContact CG2-CD2 4.21Å; I1630-L1657 HydrophobicContact CG2-CG 4.45Å; I1630-K1730 WeakPolarHBondContact O-CD 3.39Å; I1630-K1730 WeakPolarHBondContact O-CE 3.25Å; I1630-V1732 HydrophobicContact CD1-CG1 4.36Å; I1630-V1732 HydrophobicContact CG2-CG2 3.71Å; I1630-I1754 HydrophobicContact CD1-CD1 4.47Å; I1630-I1754 HydrophobicContact CG1-CD1 4.29Å
1631R79.7Confident80Confident93 Ų9333.2 Ų33.235%0.35119%0.185SC..Hα-helixtrans-76-42.6171.2-76.5171.6-168.8-147.5-3.2112.4Q1605 L1627 S1628 T1629 N1633 L1657 K1730Q1605-R1631 VanDerWaalsContact OE1-NH1 3.08Å; L1627-R1631 WeakPolarHBondContact O-CB 3.46Å; L1627-R1631 VanDerWaalsContact O-CG 3.25Å; L1627-R1631 WeakPolarHBondContact O-CG 3.01Å; L1627-R1631 PolarHBondContact O-N 3.09Å; S1628-R1631 WeakPolarHBondContact O-CA 3.45Å; S1628-R1631 WeakPolarHBondContact O-CB 3.19Å; S1628-R1631 PolarHBondContact O-N 3.26Å; T1629-R1631 VanDerWaalsContact C-N 3.34Å; R1631-N1633 VanDerWaalsContact C-N 3.34Å; R1631-N1633 PolarHBondContact O-N 3.05Å; R1631-L1657 HydrophobicContact CG-CD2 3.97Å; R1631-K1730 WeakPolarHBondContact O-CE 3.35Å; R1631-K1730 PolarHBondContact O-NZ 3.41Å
1632D78.2Confident79.1Confident122 Ų12231.2 Ų31.265%0.65218%0.179SC*.Hα-helixtrans-81.8-10.9-171-56.7-21.7000113.7S1628S1628-D1632 PolarHBondContact O-N 3.4Å
1633N76.6Confident78.1Confident41 Ų4131 Ų3122%0.21918%0.184CC..  trans-130.3148-173.8-59.3-96.5000110.6T1629 R1631 V1636 K1730 K1752T1629-N1633 PolarHBondContact O-N 3.39Å; T1629-N1633 PolarHBondContact O-ND2 3.32Å; R1631-N1633 VanDerWaalsContact C-N 3.34Å; R1631-N1633 PolarHBondContact O-N 3.05Å; N1633-V1636 HydrophobicContact CB-CG2 3.87Å; N1633-K1730 WeakPolarHBondContact O-CE 3.49Å; N1633-K1752 HydrophobicContact CB-CB 4.46Å
1634S71.2Confident77.3Confident62 Ų6231 Ų3143%0.43418%0.184SC..SBendtrans-81.4-29.2177.6510000113.1I1731S1634-I1731 PolarHBondContact O-N 2.93Å
1635I75.6Confident76.6Confident21 Ų2130 Ų3011%0.10818%0.183CC..EExtended strand (participates in β ladder)trans-131.1121.5179-47.5-177.4000109.3F1719 I1731 I1751 K1752I1635-F1719 HydrophobicContact CD1-CD1 3.88Å; I1635-F1719 HydrophobicContact CD1-CE1 4.36Å; I1635-F1719 HydrophobicContact CG2-CD1 4.33Å; I1635-F1719 HydrophobicContact CG2-CE1 3.82Å; I1635-F1719 HydrophobicContact CG2-CZ 4.45Å; I1635-I1731 WeakPolarHBondContact CA-O 3.14Å; I1635-I1731 HydrophobicContact CB-CB 4.49Å; I1635-I1731 HydrophobicContact CD1-CD1 4.29Å; I1635-I1731 HydrophobicContact CG1-CB 4.3Å; I1635-I1731 HydrophobicContact CG1-CD1 4.26Å; I1635-I1731 HydrophobicContact CG2-CB 4.13Å; I1635-I1731 HydrophobicContact CG2-CG2 4.27Å; I1635-I1751 HydrophobicContact CB-CG1 4.17Å; I1635-I1751 HydrophobicContact CB-CG2 4.35Å; I1635-I1751 HydrophobicContact CD1-CG1 4.38Å; I1635-I1751 HydrophobicContact CG2-CB 4.45Å; I1635-I1751 HydrophobicContact CG2-CG1 4.11Å; I1635-I1751 HydrophobicContact CG2-CG2 3.88Å; I1635-I1751 WeakPolarHBondContact O-CA 3.39Å; I1635-K1752 PolarHBondContact O-N 3.03Å
1636V80.7Confident76.4Confident1 Ų127.6 Ų27.61%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-128.4140.5176.6176.50000109.4T1629 I1630 N1633 I1731 V1732 G1733 K1752 I1754T1629-V1636 HydrophobicContact CG2-CG1 4.16Å; T1629-V1636 HydrophobicContact CG2-CG2 4.14Å; I1630-V1636 HydrophobicContact CB-CG2 4.47Å; I1630-V1636 HydrophobicContact CG1-CB 4.08Å; I1630-V1636 HydrophobicContact CG1-CG1 3.89Å; I1630-V1636 HydrophobicContact CG1-CG2 4.11Å; N1633-V1636 HydrophobicContact CB-CG2 3.87Å; V1636-I1731 PolarHBondContact N-O 3.16Å; V1636-V1732 CarbonylContact O-C 3.6Å; V1636-V1732 WeakPolarHBondContact O-CA 3.26Å; V1636-G1733 PolarHBondContact O-N 2.82Å; V1636-K1752 WeakPolarHBondContact CA-O 3.08Å; V1636-K1752 HydrophobicContact CG2-CB 4.47Å; V1636-I1754 HydrophobicContact CG1-CD1 3.58Å; V1636-I1754 HydrophobicContact CG1-CG1 3.83Å
1637I80.5Confident76.1Confident1 Ų128.4 Ų28.41%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-128.6126.3175.5-54.3173.8000109.4Y1639 I1708 F1719 L1742 I1751 K1752 V1753 I1754I1637-Y1639 HydrophobicContact CB-CD2 4.33Å; I1637-Y1639 HydrophobicContact CB-CE2 3.61Å; I1637-Y1639 HydrophobicContact CG2-CD2 3.95Å; I1637-Y1639 HydrophobicContact CG2-CE2 3.35Å; I1637-Y1639 WeakPolarHBondContact O-CD2 3.24Å; I1637-I1708 HydrophobicContact CD1-CD1 4.33Å; I1637-I1708 HydrophobicContact CG1-CD1 4.37Å; I1637-I1708 HydrophobicContact CG2-CD1 4.17Å; I1637-F1719 HydrophobicContact CD1-CE2 4.33Å; I1637-F1719 HydrophobicContact CD1-CZ 3.99Å; I1637-L1742 HydrophobicContact CD1-CD2 4.44Å; I1637-I1751 HydrophobicContact CD1-CG2 3.91Å; I1637-I1751 HydrophobicContact CG1-CG2 4.08Å; I1637-K1752 PolarHBondContact N-O 2.83Å; I1637-V1753 WeakPolarHBondContact O-CA 3.41Å; I1637-I1754 PolarHBondContact O-N 2.9Å
1638I82.6Confident75.7Confident0 Ų031 Ų310%019%0.186CC..EExtended strand (participates in β ladder)trans-91.7113.1178-49.3-166.3000109.7K1646 L1649 V1650 G1733 T1734 S1735 I1754 H1756I1638-K1646 HydrophobicContact CG2-CD 4.04Å; I1638-K1646 HydrophobicContact CG2-CG 4.16Å; I1638-L1649 HydrophobicContact CD1-CD2 4.49Å; I1638-V1650 HydrophobicContact CD1-CG2 3.65Å; I1638-V1650 HydrophobicContact CG1-CG2 4.16Å; I1638-G1733 PolarHBondContact N-O 3.28Å; I1638-T1734 WeakPolarHBondContact O-CA 3.5Å; I1638-S1735 PolarHBondContact O-N 2.89Å; I1638-I1754 CarbonylContact C-O 3.54Å; I1638-I1754 WeakPolarHBondContact CA-O 2.91Å; I1638-I1754 HydrophobicContact CG1-CB 4.26Å; I1638-I1754 HydrophobicContact CG1-CD1 4.38Å; I1638-I1754 HydrophobicContact CG2-CG2 4.24Å; I1638-H1756 HydrophobicContact CG2-CB 3.48Å; I1638-H1756 VanDerWaalsContact CG2-CB 3.48Å
1639Y76.2Confident75.6Confident15 Ų1528.9 Ų28.96%0.05917%0.171CC..EExtended strand (participates in β ladder)trans-99.4149.3177.5-70.6-96.4000111.4I1637 S1735 L1742 L1746 V1753 I1754 H1756I1637-Y1639 HydrophobicContact CB-CD2 4.33Å; I1637-Y1639 HydrophobicContact CB-CE2 3.61Å; I1637-Y1639 HydrophobicContact CG2-CD2 3.95Å; I1637-Y1639 HydrophobicContact CG2-CE2 3.35Å; I1637-Y1639 WeakPolarHBondContact O-CD2 3.24Å; Y1639-S1735 WeakPolarHBondContact CA-O 3.01Å; Y1639-S1735 WeakPolarHBondContact CE1-OG 3.41Å; Y1639-L1742 HydrophobicContact CE1-CB 4.31Å; Y1639-L1742 HydrophobicContact CE1-CD1 4.12Å; Y1639-L1742 VanDerWaalsContact OH-CB 3.3Å; Y1639-L1742 WeakPolarHBondContact OH-CB 3.36Å; Y1639-L1742 WeakPolarHBondContact OH-CD1 3.32Å; Y1639-L1746 HydrophobicContact CE2-CD1 3.98Å; Y1639-L1746 WeakPolarHBondContact OH-CD1 3.5Å; Y1639-V1753 HydrophobicContact CD2-CB 4.24Å; Y1639-V1753 HydrophobicContact CD2-CG1 3.96Å; Y1639-V1753 HydrophobicContact CD2-CG2 3.66Å; Y1639-V1753 HydrophobicContact CE2-CB 4.38Å; Y1639-V1753 HydrophobicContact CE2-CG2 3.42Å; Y1639-V1753 VanDerWaalsContact CE2-CG2 3.42Å; Y1639-I1754 PolarHBondContact N-O 2.9Å; Y1639-H1756 WeakPolarHBondContact O-CB 3.5Å; Y1639-H1756 PolarHBondContact O-N 3.39Å
1640G71.5Confident75.6Confident2 Ų228.5 Ų28.52%0.02117%0.169CC..EExtended strand (participates in β ladder)trans165.7173170.800000112.7K1646 S1735 T1737G1640-K1646 PolarHBondContact O-NZ 2.89Å; G1640-S1735 PolarHBondContact N-O 3.47Å; G1640-T1737 PolarHBondContact O-N 3.41Å
1641A68.2Low75.4Confident3 Ų330.2 Ų30.23%0.02518%0.178CC..SBendtrans-56157.1-178.700000113.3T1644 K1646 I1838A1641-T1644 HydrophobicContact CB-CG2 4.13Å; A1641-T1644 PolarHBondContact O-OG1 3.5Å; A1641-K1646 PolarHBondContact O-NZ 3.3Å; A1641-I1838 HydrophobicContact CB-CB 4.17Å
1642S64.8Low75.2Confident49 Ų4927.1 Ų27.134%0.34317%0.169SC..THydrogen-bonded Turntrans-68142.6-178.561.90000111.8S1235 T1644S1235-S1642 PolarHBondContact O-OG 3.04Å; S1642-T1644 PolarHBondContact O-N 3.18Å
1643G64.7Low75.3Confident30 Ų3021.3 Ų21.331%0.30914%0.138SC..THydrogen-bonded Turntrans801.4179.100000117.2G1645G1643-G1645 PolarHBondContact O-N 3.31Å
1644T67.1Low75.4Confident2 Ų219.4 Ų19.41%0.01213%0.127CC..SBendtrans-75.227177.854.90000115.1A1641 S1642 K1646 H1756 L1757 I1841A1641-T1644 HydrophobicContact CB-CG2 4.13Å; A1641-T1644 PolarHBondContact O-OG1 3.5Å; S1642-T1644 PolarHBondContact O-N 3.18Å; T1644-K1646 PolarHBondContact O-N 2.86Å; T1644-K1646 PolarHBondContact OG1-NZ 2.96Å; T1644-H1756 PolarHBondContact O-NE2 3.04Å; T1644-L1757 HydrophobicContact CG2-CD1 4.44Å; T1644-I1841 HydrophobicContact CG2-CD1 4.01Å; T1644-I1841 HydrophobicContact CG2-CG1 4.46Å
1645G71Confident75.5Confident34 Ų3421.3 Ų21.335%0.35113%0.128SC..SBendtrans70.8-4.1176.100000117.4G1643 S1647 Q1648 L1649G1643-G1645 PolarHBondContact O-N 3.31Å; G1645-S1647 VanDerWaalsContact C-N 3.32Å; G1645-S1647 PolarHBondContact O-N 3.43Å; G1645-Q1648 WeakPolarHBondContact O-CA 2.93Å; G1645-Q1648 WeakPolarHBondContact O-CB 3.11Å; G1645-Q1648 PolarHBondContact O-N 3.48Å; G1645-L1649 PolarHBondContact O-N 3.21Å
1646K79.1Confident75.5Confident17 Ų1720.7 Ų20.77%0.07413%0.125CC..Hα-helixtrans-42.1-47.2-173.1-67.1-172.3-58.9-74.30116.1I1638 G1640 A1641 T1644 Q1648 L1649 V1650 T1734 S1735 H1756I1638-K1646 HydrophobicContact CG2-CD 4.04Å; I1638-K1646 HydrophobicContact CG2-CG 4.16Å; G1640-K1646 PolarHBondContact O-NZ 2.89Å; A1641-K1646 PolarHBondContact O-NZ 3.3Å; T1644-K1646 PolarHBondContact O-N 2.86Å; T1644-K1646 PolarHBondContact OG1-NZ 2.96Å; K1646-Q1648 VanDerWaalsContact C-N 3.33Å; K1646-Q1648 PolarHBondContact O-N 3.36Å; K1646-L1649 WeakPolarHBondContact O-CB 3.4Å; K1646-L1649 PolarHBondContact O-N 2.91Å; K1646-V1650 PolarHBondContact O-N 3.46Å; K1646-T1734 HydrophobicContact CB-CG2 4.06Å; K1646-S1735 WeakPolarHBondContact CE-O 3.4Å; K1646-H1756 HydrophobicContact CD-CB 4.44Å; K1646-H1756 HydrophobicContact CG-CB 4.4Å; K1646-H1756 VanDerWaalsContact CG-CD2 3.41Å; K1646-H1756 WeakPolarHBondContact CG-CD2 3.19Å
1647S78.4Confident75.1Confident35 Ų3521.6 Ų21.625%0.24513%0.129CC..Hα-helixtrans-70-30.3-177.4-52.30000112.6G1645 N1651 N1707 T1734G1645-S1647 VanDerWaalsContact C-N 3.32Å; G1645-S1647 PolarHBondContact O-N 3.43Å; S1647-N1651 VanDerWaalsContact O-CG 3.24Å; S1647-N1651 PolarHBondContact O-N 2.8Å; S1647-N1651 PolarHBondContact O-ND2 3.48Å; S1647-N1651 PolarHBondContact O-OD1 2.78Å; S1647-N1707 PolarHBondContact OG-OD1 3.06Å; S1647-T1734 PolarHBondContact OG-OG1 3.39Å
1648Q75.3Confident74.7Confident62 Ų6222 Ų2229%0.2913%0.132SC..Hα-helixtrans-72.8-42.2170.6-175.254.849.500111.1G1645 K1646 V1650 N1651 D1652G1645-Q1648 WeakPolarHBondContact O-CA 2.93Å; G1645-Q1648 WeakPolarHBondContact O-CB 3.11Å; G1645-Q1648 PolarHBondContact O-N 3.48Å; K1646-Q1648 VanDerWaalsContact C-N 3.33Å; K1646-Q1648 PolarHBondContact O-N 3.36Å; Q1648-V1650 VanDerWaalsContact C-N 3.35Å; Q1648-V1650 PolarHBondContact O-N 3.39Å; Q1648-N1651 WeakPolarHBondContact O-CB 3.45Å; Q1648-N1651 PolarHBondContact O-N 3.24Å; Q1648-D1652 PolarHBondContact NE2-OD1 2.96Å; Q1648-D1652 PolarHBondContact NE2-OD2 3.35Å; Q1648-D1652 PolarHBondContact O-N 3.18Å
1649L81.7Confident73.6Confident6 Ų625.5 Ų25.53%0.03115%0.153CC..Hα-helixtrans-58.5-43.8175.817763.4000112.1V1612 I1618 L1623 Y1626 I1638 G1645 K1646 D1652 L1653V1612-L1649 HydrophobicContact CG1-CD1 4.48Å; I1618-L1649 HydrophobicContact CD1-CD1 3.87Å; I1618-L1649 HydrophobicContact CD1-CD2 3.79Å; I1618-L1649 HydrophobicContact CD1-CG 4.34Å; L1623-L1649 HydrophobicContact CD2-CD1 3.53Å; Y1626-L1649 HydrophobicContact CD2-CD2 4.15Å; Y1626-L1649 HydrophobicContact CE2-CD2 4.11Å; I1638-L1649 HydrophobicContact CD1-CD2 4.49Å; G1645-L1649 PolarHBondContact O-N 3.21Å; K1646-L1649 WeakPolarHBondContact O-CB 3.4Å; K1646-L1649 PolarHBondContact O-N 2.91Å; L1649-D1652 PolarHBondContact O-N 3.02Å; L1649-L1653 HydrophobicContact CD1-CD1 3.82Å; L1649-L1653 HydrophobicContact CD1-CD2 4.35Å; L1649-L1653 HydrophobicContact CD1-CG 3.79Å; L1649-L1653 HydrophobicContact CD2-CD1 4.49Å; L1649-L1653 HydrophobicContact CG-CD1 3.85Å; L1649-L1653 HydrophobicContact CG-CG 4.21Å; L1649-L1653 WeakPolarHBondContact O-CB 3.42Å; L1649-L1653 VanDerWaalsContact O-CG 3.28Å; L1649-L1653 WeakPolarHBondContact O-CG 3.28Å; L1649-L1653 PolarHBondContact O-N 3.48Å
1650V82.1Confident72.7Confident0 Ų028.8 Ų28.80%017%0.172CC..Hα-helixtrans-60.9-45.9174.6165.20000111.2I1638 K1646 Q1648 D1652 T1654 N1704 L1706 V1732 T1734I1638-V1650 HydrophobicContact CD1-CG2 3.65Å; I1638-V1650 HydrophobicContact CG1-CG2 4.16Å; K1646-V1650 PolarHBondContact O-N 3.46Å; Q1648-V1650 VanDerWaalsContact C-N 3.35Å; Q1648-V1650 PolarHBondContact O-N 3.39Å; V1650-D1652 VanDerWaalsContact C-N 3.32Å; V1650-D1652 PolarHBondContact O-N 3.26Å; V1650-T1654 WeakPolarHBondContact O-CB 3.36Å; V1650-T1654 PolarHBondContact O-N 3.4Å; V1650-T1654 PolarHBondContact O-OG1 3.39Å; V1650-N1704 HydrophobicContact CG1-CB 3.99Å; V1650-N1704 WeakPolarHBondContact CG1-OD1 3.32Å; V1650-L1706 HydrophobicContact CB-CD2 4.25Å; V1650-L1706 HydrophobicContact CG1-CD2 4.01Å; V1650-V1732 HydrophobicContact CB-CG1 4.32Å; V1650-V1732 HydrophobicContact CG1-CB 4.12Å; V1650-V1732 HydrophobicContact CG1-CG1 3.73Å; V1650-V1732 HydrophobicContact CG2-CG1 3.73Å; V1650-T1734 HydrophobicContact CB-CG2 4.1Å; V1650-T1734 HydrophobicContact CG2-CG2 3.4Å
1651N79Confident71.9Confident39 Ų3931.2 Ų31.221%0.20919%0.187CC..Hα-helixtrans-58.8-43.2177.4-68.6-13.5000112.1S1647 Q1648 K1655S1647-N1651 VanDerWaalsContact O-CG 3.24Å; S1647-N1651 PolarHBondContact O-N 2.8Å; S1647-N1651 PolarHBondContact O-ND2 3.48Å; S1647-N1651 PolarHBondContact O-OD1 2.78Å; Q1648-N1651 WeakPolarHBondContact O-CB 3.45Å; Q1648-N1651 PolarHBondContact O-N 3.24Å; N1651-K1655 WeakPolarHBondContact O-CG 3.36Å; N1651-K1655 PolarHBondContact O-N 3.48Å
1652D74.4Confident71Confident28 Ų2834.4 Ų34.415%0.1520%0.201CC..Hα-helixtrans-79.8-33.1-176.9-64.5-30.7000113.7R1452 V1612 Q1648 L1649 V1650 K1655R1452-D1652 IonicContact NH1-OD2 3.13Å; V1612-D1652 HydrophobicContact CG1-CB 4.17Å; V1612-D1652 HydrophobicContact CG2-CB 3.96Å; Q1648-D1652 PolarHBondContact NE2-OD1 2.96Å; Q1648-D1652 PolarHBondContact NE2-OD2 3.35Å; Q1648-D1652 PolarHBondContact O-N 3.18Å; L1649-D1652 PolarHBondContact O-N 3.02Å; V1650-D1652 VanDerWaalsContact C-N 3.32Å; V1650-D1652 PolarHBondContact O-N 3.26Å; D1652-K1655 IonicContact OD1-NZ 2.77Å; D1652-K1655 PolarHBondContact OD1-NZ 3.29Å
1653L81.8Confident70.6Confident0 Ų034.6 Ų34.60%020%0.203CC..Hα-helixtrans-66.2-39.3169.4-70.6178.7000111.3L1609 L1623 L1627 I1630 L1649 K1655 I1656 L1657L1609-L1653 HydrophobicContact CD1-CD2 4.14Å; L1623-L1653 HydrophobicContact CD2-CD2 4.45Å; L1627-L1653 HydrophobicContact CD2-CB 4.35Å; L1627-L1653 HydrophobicContact CD2-CD2 3.89Å; L1627-L1653 HydrophobicContact CG-CD2 3.95Å; I1630-L1653 HydrophobicContact CD1-CD1 4.08Å; L1649-L1653 HydrophobicContact CD1-CD1 3.82Å; L1649-L1653 HydrophobicContact CD1-CD2 4.35Å; L1649-L1653 HydrophobicContact CD1-CG 3.79Å; L1649-L1653 HydrophobicContact CD2-CD1 4.49Å; L1649-L1653 HydrophobicContact CG-CD1 3.85Å; L1649-L1653 HydrophobicContact CG-CG 4.21Å; L1649-L1653 WeakPolarHBondContact O-CB 3.42Å; L1649-L1653 VanDerWaalsContact O-CG 3.28Å; L1649-L1653 WeakPolarHBondContact O-CG 3.28Å; L1649-L1653 PolarHBondContact O-N 3.48Å; L1653-K1655 VanDerWaalsContact C-N 3.35Å; L1653-K1655 PolarHBondContact O-N 3.34Å; L1653-I1656 PolarHBondContact O-N 3.41Å; L1653-L1657 WeakPolarHBondContact O-CG 3.21Å; L1653-L1657 PolarHBondContact O-N 3.27Å
1654T77Confident69.8Low1 Ų139.7 Ų39.71%0.00622%0.216CC..Hα-helixtrans-65.7-35.6178.5-68.40000112.1V1650 I1656 L1657 V1658 V1667 V1702 N1704V1650-T1654 WeakPolarHBondContact O-CB 3.36Å; V1650-T1654 PolarHBondContact O-N 3.4Å; V1650-T1654 PolarHBondContact O-OG1 3.39Å; T1654-I1656 PolarHBondContact O-N 2.97Å; T1654-L1657 PolarHBondContact O-N 3.44Å; T1654-V1658 PolarHBondContact O-N 3.25Å; T1654-V1667 HydrophobicContact CG2-CB 4.22Å; T1654-V1667 HydrophobicContact CG2-CG1 3.53Å; T1654-V1667 HydrophobicContact CG2-CG2 3.6Å; T1654-V1702 HydrophobicContact CG2-CB 3.65Å; T1654-V1702 HydrophobicContact CG2-CG1 3.56Å; T1654-V1702 HydrophobicContact CG2-CG2 4.07Å; T1654-N1704 PolarHBondContact OG1-OD1 3.45Å
1655K74.4Confident69.2Low102 Ų10244.1 Ų44.144%0.44324%0.24SC..Hα-helixtrans-57.6-31.5169.2-69.6168.4-169.5167.60113.2N1651 D1652 L1653N1651-K1655 WeakPolarHBondContact O-CG 3.36Å; N1651-K1655 PolarHBondContact O-N 3.48Å; D1652-K1655 IonicContact OD1-NZ 2.77Å; D1652-K1655 PolarHBondContact OD1-NZ 3.29Å; L1653-K1655 VanDerWaalsContact C-N 3.35Å; L1653-K1655 PolarHBondContact O-N 3.34Å
1656I74.6Confident68.7Low8 Ų843.9 Ų43.94%0.04123%0.232CC..Hα-helixtrans-85.8-22.9179.3-62.6172.7000112.4Q1605 M1608 L1609 V1612 L1627 L1653 T1654Q1605-I1656 HydrophobicContact CB-CG2 4.3Å; Q1605-I1656 HydrophobicContact CG-CG2 4.26Å; M1608-I1656 HydrophobicContact CB-CD1 3.98Å; M1608-I1656 HydrophobicContact CB-CG1 3.95Å; L1609-I1656 HydrophobicContact CD1-CD1 4.16Å; V1612-I1656 HydrophobicContact CB-CD1 4.28Å; V1612-I1656 HydrophobicContact CG2-CD1 3.62Å; L1627-I1656 HydrophobicContact CD1-CG2 3.86Å; L1653-I1656 PolarHBondContact O-N 3.41Å; T1654-I1656 PolarHBondContact O-N 2.97Å
1657L73.5Confident68Low20 Ų2045.2 Ų45.211%0.10524%0.241CC..Hα-helixtrans-80.8-29.2-179.5-76.4159.6000113.3L1627 I1630 R1631 L1653 T1654 V1702L1627-L1657 HydrophobicContact CD2-CD1 4.12Å; L1627-L1657 HydrophobicContact CD2-CD2 3.9Å; L1627-L1657 HydrophobicContact CD2-CG 3.75Å; I1630-L1657 HydrophobicContact CB-CD1 4.04Å; I1630-L1657 HydrophobicContact CB-CD2 4.49Å; I1630-L1657 HydrophobicContact CD1-CD1 4.31Å; I1630-L1657 HydrophobicContact CG2-CD1 3.38Å; I1630-L1657 HydrophobicContact CG2-CD2 4.21Å; I1630-L1657 HydrophobicContact CG2-CG 4.45Å; R1631-L1657 HydrophobicContact CG-CD2 3.97Å; L1653-L1657 WeakPolarHBondContact O-CG 3.21Å; L1653-L1657 PolarHBondContact O-N 3.27Å; T1654-L1657 PolarHBondContact O-N 3.44Å; L1657-V1702 HydrophobicContact CB-CG2 4.43Å
1658V71.7Confident67.6Low9 Ų945.8 Ų45.86%0.05524%0.238CC..  trans-72.3137.4-179.6162.70000111.8T1654 N1660 T1666 V1667 E1701 V1702T1654-V1658 PolarHBondContact O-N 3.25Å; V1658-N1660 VanDerWaalsContact CG1-C 3.4Å; V1658-N1660 WeakPolarHBondContact CG1-O 3.35Å; V1658-T1666 HydrophobicContact CG1-CG2 4.06Å; V1658-V1667 HydrophobicContact CG2-CG2 3.64Å; V1658-E1701 WeakPolarHBondContact CA-OE2 3.41Å; V1658-E1701 WeakPolarHBondContact CG1-OE2 3.18Å; V1658-E1701 HydrophobicContact CG2-CB 4.41Å; V1658-V1702 HydrophobicContact CG2-CG2 4.01Å
1659T60Low67.5Low73 Ų7346.9 Ų46.945%0.44825%0.246SC..SBendtrans-82.6-24.417949.30000113.7E1701T1659-E1701 WeakPolarHBondContact CG2-OE1 3.32Å; T1659-E1701 PolarHBondContact N-OE1 3.47Å; T1659-E1701 PolarHBondContact N-OE2 3.03Å; T1659-E1701 PolarHBondContact OG1-OE1 3.32Å; T1659-E1701 PolarHBondContact OG1-OE2 3.43Å
1660N56.7Low66.9Low84 Ų8447.7 Ų47.745%0.44925%0.25SC..  trans-128.799.4171.7-87.8-71.6000112V1658 H1662 S1663 T1666V1658-N1660 VanDerWaalsContact CG1-C 3.4Å; V1658-N1660 WeakPolarHBondContact CG1-O 3.35Å; N1660-H1662 PolarHBondContact O-N 2.8Å; N1660-S1663 PolarHBondContact O-OG 3.24Å; N1660-S1663 VanDerWaalsContact O-OG 3.07Å; N1660-T1666 PolarHBondContact O-OG1 3.06Å; N1660-T1666 VanDerWaalsContact O-OG1 3.06Å
1661P54.5Low66.5Low53 Ų5355.8 Ų55.834%0.34428%0.28SS..THydrogen-bonded Turntrans-78-4.1-176.433.1-38.1000113.9M1587M1587-P1661 HydrophobicContact CB-CG 4.36Å; M1587-P1661 HydrophobicContact CE-CG 3.98Å; M1587-P1661 HydrophobicContact CG-CG 4.36Å; M1587-P1661 HydrophobicContact SD-CB 3.7Å; M1587-P1661 HydrophobicContact SD-CG 3.51Å; M1587-P1661 VanDerWaalsContact SD-CG 3.51Å
1662H50.2Low65.9Low70 Ų7054 Ų5432%0.32427%0.27SS..THydrogen-bonded Turntrans-106.2-8-174.3-64.4-45.2000114.6N1660 K1664N1660-H1662 PolarHBondContact O-N 2.8Å; H1662-K1664 PolarHBondContact O-N 2.94Å
1663S55.3Low65.6Low53 Ų5357.7 Ų57.737%0.37129%0.285SS..SBendtrans-75.4117.3168.642.90000109.6N1660 N1665 T1666N1660-S1663 PolarHBondContact O-OG 3.24Å; N1660-S1663 VanDerWaalsContact O-OG 3.07Å; S1663-N1665 PolarHBondContact O-N 3.48Å; S1663-N1665 VanDerWaalsContact O-N 3.16Å; S1663-T1666 PolarHBondContact O-N 3.44Å; S1663-T1666 PolarHBondContact O-OG1 3.31Å; S1663-T1666 VanDerWaalsContact O-OG1 3.08Å; S1663-T1666 WeakPolarHBondContact OG-CG2 3.42Å; S1663-T1666 PolarHBondContact OG-OG1 3.41Å
1664K49.3Very low64.6Low137 Ų13763.5 Ų63.560%0.59631%0.312SS*.THydrogen-bonded Turntrans-53.1126163.7-69.4-167.9174.7-167.30107.3S1443 D1445 H1662S1443-K1664 PolarHBondContact OG-NZ 3.06Å; D1445-K1664 WeakPolarHBondContact OD2-CE 3.43Å; D1445-K1664 IonicContact OD2-NZ 2.63Å; D1445-K1664 PolarHBondContact OD2-NZ 3.36Å; H1662-K1664 PolarHBondContact O-N 2.94Å
1665N53.5Low63.3Low96 Ų9668.4 Ų68.451%0.51334%0.338SS..THydrogen-bonded Turntrans87.415.8176.7-44.1-11.9000119.1S1663 V1667 F1694S1663-N1665 PolarHBondContact O-N 3.48Å; S1663-N1665 VanDerWaalsContact O-N 3.16Å; N1665-V1667 PolarHBondContact O-N 3.02Å; N1665-F1694 HydrophobicContact CB-CE1 3.53Å; N1665-F1694 HydrophobicContact CB-CZ 3.44Å; N1665-F1694 VanDerWaalsContact CB-CZ 3.44Å; N1665-F1694 WeakPolarHBondContact ND2-CE1 3.13Å; N1665-F1694 WeakPolarHBondContact ND2-CZ 3.31Å
1666T61.4Low62.5Low28 Ų2864 Ų6417%0.17232%0.322CS..SBendtrans-67.7-21167.517.30000114.1V1658 N1660 S1663 E1701 V1702V1658-T1666 HydrophobicContact CG1-CG2 4.06Å; N1660-T1666 PolarHBondContact O-OG1 3.06Å; N1660-T1666 VanDerWaalsContact O-OG1 3.06Å; S1663-T1666 PolarHBondContact O-N 3.44Å; S1663-T1666 PolarHBondContact O-OG1 3.31Å; S1663-T1666 VanDerWaalsContact O-OG1 3.08Å; S1663-T1666 WeakPolarHBondContact OG-CG2 3.42Å; S1663-T1666 PolarHBondContact OG-OG1 3.41Å; T1666-E1701 HydrophobicContact CG2-CB 4.44Å; T1666-E1701 PolarHBondContact O-N 3.21Å; T1666-V1702 PolarHBondContact O-N 3.42Å
1667V64.4Low61.6Low45 Ų4566 Ų6627%0.27334%0.337SS..EExtended strand (participates in β ladder)trans-121.4124.7179.4-178.50000109.8T1654 V1658 N1665 V1702T1654-V1667 HydrophobicContact CG2-CB 4.22Å; T1654-V1667 HydrophobicContact CG2-CG1 3.53Å; T1654-V1667 HydrophobicContact CG2-CG2 3.6Å; V1658-V1667 HydrophobicContact CG2-CG2 3.64Å; N1665-V1667 PolarHBondContact O-N 3.02Å; V1667-V1702 WeakPolarHBondContact CA-O 3.37Å
1668Y68.8Low61Low47 Ų4765.5 Ų65.518%0.18433%0.334CS..EExtended strand (participates in β ladder)trans-103.7119.6173-171.2-102.8000111.5F1670 V1686 L1687 Q1690 V1702 I1703 N1704Y1668-F1670 HydrophobicContact CE1-CB 3.99Å; Y1668-F1670 HydrophobicContact CE1-CD2 4.28Å; Y1668-V1686 HydrophobicContact CE1-CG1 4.2Å; Y1668-V1686 WeakPolarHBondContact OH-CG1 3.44Å; Y1668-L1687 HydrophobicContact CD1-CD2 4.09Å; Y1668-L1687 HydrophobicContact CE1-CD2 4.28Å; Y1668-Q1690 HydrophobicContact CD2-CG 4.22Å; Y1668-Q1690 HydrophobicContact CE2-CG 3.82Å; Y1668-V1702 PolarHBondContact N-O 3.31Å; Y1668-I1703 HydrophobicContact CD1-CG2 4.39Å; Y1668-I1703 CarbonylContact O-C 3.5Å; Y1668-I1703 WeakPolarHBondContact O-CA 3.49Å; Y1668-N1704 PolarHBondContact O-N 3.2Å
1669N74.2Confident60.3Low86 Ų8668.3 Ų68.346%0.4635%0.351SS..EExtended strand (participates in β ladder)trans-103.4110.7-179.8-69.5-51.5000111.1N1704N1669-N1704 WeakPolarHBondContact OD1-CB 3.32Å; N1669-N1704 PolarHBondContact OD1-ND2 3.34Å
1670F68.3Low60.3Low23 Ų2366.7 Ų66.710%0.10134%0.341CS..EExtended strand (participates in β ladder)trans-106.3129.8170.2-167.6-93.3000110.2Y1668 F1672 T1678 L1683 V1686 N1704 L1705 L1706Y1668-F1670 HydrophobicContact CE1-CB 3.99Å; Y1668-F1670 HydrophobicContact CE1-CD2 4.28Å; F1670-F1672 HydrophobicContact CD1-CD2 4.17Å; F1670-F1672 HydrophobicContact CD1-CE2 4.09Å; F1670-F1672 HydrophobicContact CD1-CG 4.49Å; F1670-F1672 HydrophobicContact CD1-CZ 4.35Å; F1670-F1672 HydrophobicContact CE1-CD1 4.1Å; F1670-F1672 HydrophobicContact CE1-CD2 4.33Å; F1670-F1672 HydrophobicContact CE1-CE1 4.12Å; F1670-F1672 HydrophobicContact CE1-CE2 4.35Å; F1670-F1672 HydrophobicContact CE1-CG 4.21Å; F1670-F1672 HydrophobicContact CE1-CZ 4.26Å; F1670-T1678 HydrophobicContact CZ-CG2 4.41Å; F1670-L1683 HydrophobicContact CD1-CD1 3.82Å; F1670-L1683 HydrophobicContact CD1-CG 4.16Å; F1670-L1683 HydrophobicContact CE1-CB 4.49Å; F1670-L1683 HydrophobicContact CE1-CD1 3.53Å; F1670-L1683 HydrophobicContact CE1-CG 3.87Å; F1670-L1683 HydrophobicContact CE2-CG 4.23Å; F1670-L1683 HydrophobicContact CG-CG 4.48Å; F1670-L1683 HydrophobicContact CZ-CB 4.16Å; F1670-L1683 HydrophobicContact CZ-CD1 4.04Å; F1670-L1683 HydrophobicContact CZ-CG 3.9Å; F1670-V1686 HydrophobicContact CD2-CG1 4.38Å; F1670-V1686 HydrophobicContact CE2-CG1 4.45Å; F1670-N1704 PolarHBondContact N-O 3.36Å; F1670-L1705 HydrophobicContact CB-CD2 3.99Å; F1670-L1705 HydrophobicContact CD1-CD2 4.42Å; F1670-L1706 PolarHBondContact O-N 3.11Å
1671R72.7Confident60.5Low170 Ų17071 Ų7164%0.64236%0.356SS*.EExtended strand (participates in β ladder)trans-116.2118177.2-172.7-174.3-67.6176.7-0.2109.4L1706R1671-L1706 HydrophobicContact CB-CB 4.42Å; R1671-L1706 HydrophobicContact CG-CB 4.38Å
1672F68.3Low60.9Low1 Ų171.8 Ų71.80%0.00436%0.355CS..  trans-66.6133.7173.5-70-93.1000110F1670 L1683 L1705 L1706 N1707 I1708 F1711F1670-F1672 HydrophobicContact CD1-CD2 4.17Å; F1670-F1672 HydrophobicContact CD1-CE2 4.09Å; F1670-F1672 HydrophobicContact CD1-CG 4.49Å; F1670-F1672 HydrophobicContact CD1-CZ 4.35Å; F1670-F1672 HydrophobicContact CE1-CD1 4.1Å; F1670-F1672 HydrophobicContact CE1-CD2 4.33Å; F1670-F1672 HydrophobicContact CE1-CE1 4.12Å; F1670-F1672 HydrophobicContact CE1-CE2 4.35Å; F1670-F1672 HydrophobicContact CE1-CG 4.21Å; F1670-F1672 HydrophobicContact CE1-CZ 4.26Å; F1672-L1683 HydrophobicContact CE1-CD1 3.52Å; F1672-L1683 HydrophobicContact CE2-CD1 4.18Å; F1672-L1683 HydrophobicContact CZ-CD1 3.27Å; F1672-L1705 HydrophobicContact CE2-CB 4.25Å; F1672-L1705 HydrophobicContact CE2-CD2 4.41Å; F1672-L1706 WeakPolarHBondContact CD2-O 3.19Å; F1672-L1706 PolarHBondContact N-O 3.48Å; F1672-N1707 WeakPolarHBondContact CB-O 3.23Å; F1672-I1708 HydrophobicContact CD2-CG1 4.24Å; F1672-I1708 HydrophobicContact CE2-CG1 3.87Å; F1672-F1711 HydrophobicContact CD1-CB 3.96Å; F1672-F1711 HydrophobicContact CD1-CD2 4.26Å; F1672-F1711 HydrophobicContact CE1-CB 3.86Å; F1672-F1711 AromaticContact CE1-CD2 3.65Å; F1672-F1711 HydrophobicContact CE1-CD2 3.65Å; F1672-F1711 HydrophobicContact CE1-CE2 4.5Å; F1672-F1711 HydrophobicContact CE1-CG 4.03Å
1673K66.8Low61.6Low105 Ų10568.6 Ų68.646%0.45734%0.341SS..  trans-74.7145.1-179.2-64.7172.3-179.1166.60110.4D1675 G1676 S1677 T1678 H1710K1673-D1675 VanDerWaalsContact C-N 3.25Å; K1673-D1675 WeakPolarHBondContact CB-OD1 3.46Å; K1673-D1675 PolarHBondContact O-N 3.26Å; K1673-G1676 PolarHBondContact O-N 3.36Å; K1673-S1677 WeakPolarHBondContact CD-OG 3.48Å; K1673-T1678 HydrophobicContact CB-CG2 3.95Å; K1673-T1678 HydrophobicContact CD-CG2 3.9Å; K1673-T1678 HydrophobicContact CG-CG2 3.74Å; K1673-H1710 VanDerWaalsContact O-CB 3.23Å; K1673-H1710 WeakPolarHBondContact O-CB 3.42Å
1674H60.7Low61.9Low123 Ų12372.1 Ų72.157%0.56935%0.349SS*.THydrogen-bonded Turntrans-73.9-12.3-174-68-63.6000114.9G1676 N1707 H1710H1674-G1676 VanDerWaalsContact C-N 3.34Å; H1674-N1707 PolarHBondContact CE1-ND2 3.45Å; H1674-H1710 AromaticContact CE1-CD2 3.97Å; H1674-H1710 AromaticContact CE1-NE2 3.57Å; H1674-H1710 AromaticContact ND1-CD2 3.35Å; H1674-H1710 PolarHBondContact ND1-CD2 2.83Å; H1674-H1710 AromaticContact ND1-CE1 3.34Å; H1674-H1710 PolarHBondContact ND1-CE1 3.5Å; H1674-H1710 VanDerWaalsContact ND1-CE1 3.34Å; H1674-H1710 AromaticContact ND1-CG 3.89Å; H1674-H1710 AromaticContact ND1-ND1 3.86Å; H1674-H1710 AromaticContact ND1-NE2 2.95Å; H1674-H1710 PolarHBondContact ND1-NE2 3.33Å
1675D49.8Very low62.5Low104 Ų10468.6 Ų68.656%0.55634%0.342SS*.THydrogen-bonded Turntrans-77.9-16.4173.860.8-5.2000113.3K1673 S1677K1673-D1675 VanDerWaalsContact C-N 3.25Å; K1673-D1675 WeakPolarHBondContact CB-OD1 3.46Å; K1673-D1675 PolarHBondContact O-N 3.26Å; D1675-S1677 VanDerWaalsContact C-N 3.31Å; D1675-S1677 PolarHBondContact OD1-N 3.24Å; D1675-S1677 PolarHBondContact OD1-OG 3Å; D1675-S1677 WeakPolarHBondContact OD2-CB 3.31Å; D1675-S1677 PolarHBondContact OD2-OG 2.91Å
1676G57.4Low62.9Low9 Ų965.9 Ų65.99%0.09333%0.328CS..SBendtrans75.611.9-172.600000115K1673 H1674 T1678 H1710K1673-G1676 PolarHBondContact O-N 3.36Å; H1674-G1676 VanDerWaalsContact C-N 3.34Å; G1676-T1678 VanDerWaalsContact C-N 3.27Å; G1676-T1678 PolarHBondContact O-N 3.43Å; G1676-H1710 VanDerWaalsContact CA-O 3.3Å; G1676-H1710 WeakPolarHBondContact CA-O 3.29Å
1677S56.2Low63.1Low51 Ų5165 Ų6536%0.35732%0.323SS..  trans-69.7-22.6-177.962.60000113.9K1673 D1675 T1679K1673-S1677 WeakPolarHBondContact CD-OG 3.48Å; D1675-S1677 VanDerWaalsContact C-N 3.31Å; D1675-S1677 PolarHBondContact OD1-N 3.24Å; D1675-S1677 PolarHBondContact OD1-OG 3Å; D1675-S1677 WeakPolarHBondContact OD2-CB 3.31Å; D1675-S1677 PolarHBondContact OD2-OG 2.91Å; S1677-T1679 WeakPolarHBondContact O-CG2 3.4Å; S1677-T1679 PolarHBondContact O-N 2.85Å
1678T60.1Low62.8Low8 Ų865.6 Ų65.65%0.04933%0.327CS..  trans-63.4106.3-176.646.10000112.4F1670 K1673 G1676 E1682F1670-T1678 HydrophobicContact CZ-CG2 4.41Å; K1673-T1678 HydrophobicContact CB-CG2 3.95Å; K1673-T1678 HydrophobicContact CD-CG2 3.9Å; K1673-T1678 HydrophobicContact CG-CG2 3.74Å; G1676-T1678 VanDerWaalsContact C-N 3.27Å; G1676-T1678 PolarHBondContact O-N 3.43Å; T1678-E1682 WeakPolarHBondContact CA-OE2 3.39Å
1679T58.9Low62.4Low68 Ų6869.9 Ų69.942%0.41735%0.348SS..  trans-84.9157.6-178.764.30000112.9S1677 K1681 E1682 L1683S1677-T1679 WeakPolarHBondContact O-CG2 3.4Å; S1677-T1679 PolarHBondContact O-N 2.85Å; T1679-K1681 PolarHBondContact O-N 2.95Å; T1679-K1681 VanDerWaalsContact O-N 3.17Å; T1679-K1681 PolarHBondContact OG1-N 3.44Å; T1679-E1682 PolarHBondContact N-OE2 2.95Å; T1679-E1682 PolarHBondContact O-N 3.42Å; T1679-E1682 PolarHBondContact OG1-N 3.43Å; T1679-E1682 VanDerWaalsContact OG1-N 3.1Å; T1679-E1682 PolarHBondContact OG1-OE2 3.23Å; T1679-E1682 VanDerWaalsContact OG1-OE2 3.11Å; T1679-L1683 PolarHBondContact O-N 3.15Å; T1679-L1683 VanDerWaalsContact O-N 3.08Å
1680V59.9Low61.3Low39 Ų3968.6 Ų68.624%0.23634%0.34CS..Hα-helixtrans-55.6-30.1167.7178.60000111.5K1684 F1711V1680-K1684 WeakPolarHBondContact O-CB 3.29Å; V1680-K1684 PolarHBondContact O-N 3.29Å; V1680-F1711 HydrophobicContact CG2-CE2 3.58Å; V1680-F1711 HydrophobicContact CG2-CZ 3.43Å; V1680-F1711 VanDerWaalsContact CG2-CZ 3.43Å
1681K59.9Low60.6Low176 Ų17669 Ų6977%0.76534%0.343SS*.Hα-helixtrans-69.8-43.1178.4-71-174.4178.6-179.70112.3T1679 S1685T1679-K1681 PolarHBondContact O-N 2.95Å; T1679-K1681 VanDerWaalsContact O-N 3.17Å; T1679-K1681 PolarHBondContact OG1-N 3.44Å; K1681-S1685 WeakPolarHBondContact O-CB 3.34Å; K1681-S1685 PolarHBondContact O-N 3.21Å; K1681-S1685 PolarHBondContact O-OG 3.07Å
1682E62.9Low59.5Low68 Ų6865.8 Ų65.832%0.31834%0.338SS..Hα-helixtrans-63.7-49.3172.8-75.8164.2109.300111.2T1678 T1679 K1684 S1685 V1686T1678-E1682 WeakPolarHBondContact CA-OE2 3.39Å; T1679-E1682 PolarHBondContact N-OE2 2.95Å; T1679-E1682 PolarHBondContact O-N 3.42Å; T1679-E1682 PolarHBondContact OG1-N 3.43Å; T1679-E1682 VanDerWaalsContact OG1-N 3.1Å; T1679-E1682 PolarHBondContact OG1-OE2 3.23Å; T1679-E1682 VanDerWaalsContact OG1-OE2 3.11Å; E1682-K1684 VanDerWaalsContact C-N 3.26Å; E1682-K1684 PolarHBondContact O-N 3.3Å; E1682-S1685 WeakPolarHBondContact CA-OG 3.39Å; E1682-S1685 PolarHBondContact O-N 2.91Å; E1682-S1685 VanDerWaalsContact O-N 3.13Å; E1682-S1685 PolarHBondContact O-OG 2.92Å; E1682-V1686 VanDerWaalsContact O-CB 3.27Å; E1682-V1686 WeakPolarHBondContact O-CB 3.37Å; E1682-V1686 VanDerWaalsContact O-CG2 3.24Å; E1682-V1686 WeakPolarHBondContact O-CG2 3.41Å; E1682-V1686 PolarHBondContact O-N 2.86Å
1683L65.5Low58.6Low4 Ų469.3 Ų69.32%0.02136%0.363CS..Hα-helixtrans-62.1-39.1-178.6-156.3159.4000110.6F1670 F1672 T1679 L1687 L1718F1670-L1683 HydrophobicContact CD1-CD1 3.82Å; F1670-L1683 HydrophobicContact CD1-CG 4.16Å; F1670-L1683 HydrophobicContact CE1-CB 4.49Å; F1670-L1683 HydrophobicContact CE1-CD1 3.53Å; F1670-L1683 HydrophobicContact CE1-CG 3.87Å; F1670-L1683 HydrophobicContact CE2-CG 4.23Å; F1670-L1683 HydrophobicContact CG-CG 4.48Å; F1670-L1683 HydrophobicContact CZ-CB 4.16Å; F1670-L1683 HydrophobicContact CZ-CD1 4.04Å; F1670-L1683 HydrophobicContact CZ-CG 3.9Å; F1672-L1683 HydrophobicContact CE1-CD1 3.52Å; F1672-L1683 HydrophobicContact CE2-CD1 4.18Å; F1672-L1683 HydrophobicContact CZ-CD1 3.27Å; T1679-L1683 PolarHBondContact O-N 3.15Å; T1679-L1683 VanDerWaalsContact O-N 3.08Å; L1683-L1687 HydrophobicContact CD2-CD1 3.52Å; L1683-L1687 HydrophobicContact CD2-CG 4.01Å; L1683-L1687 WeakPolarHBondContact O-CB 3.45Å; L1683-L1687 WeakPolarHBondContact O-CG 3.16Å; L1683-L1687 PolarHBondContact O-N 2.87Å; L1683-L1718 HydrophobicContact CD1-CD1 4.04Å; L1683-L1718 HydrophobicContact CD2-CD1 4.22Å
1684K61Low57.9Low126 Ų12665.1 Ų65.155%0.54835%0.345SS..Hα-helixtrans-68-43.2171.9-173.8173-179.21790112.9V1680 E1682 T1688V1680-K1684 WeakPolarHBondContact O-CB 3.29Å; V1680-K1684 PolarHBondContact O-N 3.29Å; E1682-K1684 VanDerWaalsContact C-N 3.26Å; E1682-K1684 PolarHBondContact O-N 3.3Å; K1684-T1688 WeakPolarHBondContact O-CB 3.44Å; K1684-T1688 PolarHBondContact O-N 2.87Å; K1684-T1688 PolarHBondContact O-OG1 3.11Å
1685S61.1Low57.1Low63 Ų6364.7 Ų64.744%0.44135%0.351SS..Hα-helixtrans-65.4-44.1-179.665.30000110.7K1681 E1682 T1688 Q1689K1681-S1685 WeakPolarHBondContact O-CB 3.34Å; K1681-S1685 PolarHBondContact O-N 3.21Å; K1681-S1685 PolarHBondContact O-OG 3.07Å; E1682-S1685 WeakPolarHBondContact CA-OG 3.39Å; E1682-S1685 PolarHBondContact O-N 2.91Å; E1682-S1685 VanDerWaalsContact O-N 3.13Å; E1682-S1685 PolarHBondContact O-OG 2.92Å; S1685-T1688 PolarHBondContact O-N 3.44Å; S1685-Q1689 WeakPolarHBondContact O-CB 3.44Å; S1685-Q1689 PolarHBondContact O-N 2.79Å
1686V63.2Low56.8Low39 Ų3967 Ų6724%0.23636%0.363CS..Hα-helixtrans-61.8-50.2176.1171.20000111.1Y1668 F1670 E1682 T1688 Q1689 Q1690Y1668-V1686 HydrophobicContact CE1-CG1 4.2Å; Y1668-V1686 WeakPolarHBondContact OH-CG1 3.44Å; F1670-V1686 HydrophobicContact CD2-CG1 4.38Å; F1670-V1686 HydrophobicContact CE2-CG1 4.45Å; E1682-V1686 VanDerWaalsContact O-CB 3.27Å; E1682-V1686 WeakPolarHBondContact O-CB 3.37Å; E1682-V1686 VanDerWaalsContact O-CG2 3.24Å; E1682-V1686 WeakPolarHBondContact O-CG2 3.41Å; E1682-V1686 PolarHBondContact O-N 2.86Å; V1686-T1688 PolarHBondContact O-N 3.09Å; V1686-Q1689 PolarHBondContact O-N 2.83Å; V1686-Q1690 WeakPolarHBondContact O-CB 3.49Å; V1686-Q1690 WeakPolarHBondContact O-CG 3.49Å; V1686-Q1690 PolarHBondContact O-N 2.79Å
1687L64.3Low56.2Low11 Ų1173.6 Ų73.66%0.05840%0.396CS..Hα-helixtrans-62.6-41.1175.1-75.5-178.6000112.3Y1668 L1683 L1691 I1703 L1722Y1668-L1687 HydrophobicContact CD1-CD2 4.09Å; Y1668-L1687 HydrophobicContact CE1-CD2 4.28Å; L1683-L1687 HydrophobicContact CD2-CD1 3.52Å; L1683-L1687 HydrophobicContact CD2-CG 4.01Å; L1683-L1687 WeakPolarHBondContact O-CB 3.45Å; L1683-L1687 WeakPolarHBondContact O-CG 3.16Å; L1683-L1687 PolarHBondContact O-N 2.87Å; L1687-L1691 HydrophobicContact CB-CD1 4.49Å; L1687-L1691 WeakPolarHBondContact O-CB 3.38Å; L1687-L1691 WeakPolarHBondContact O-CD1 3.22Å; L1687-L1691 WeakPolarHBondContact O-CG 3.41Å; L1687-L1691 PolarHBondContact O-N 3.49Å; L1687-I1703 HydrophobicContact CD2-CD1 3.96Å; L1687-L1722 HydrophobicContact CD1-CD2 3.76Å
1688T59.9Low56Low57 Ų5773.2 Ų73.235%0.3540%0.4SS..Hα-helixtrans-69.2-40.3-179.1-51.50000111.4K1684 S1685 V1686 N1692K1684-T1688 WeakPolarHBondContact O-CB 3.44Å; K1684-T1688 PolarHBondContact O-N 2.87Å; K1684-T1688 PolarHBondContact O-OG1 3.11Å; S1685-T1688 PolarHBondContact O-N 3.44Å; V1686-T1688 PolarHBondContact O-N 3.09Å; T1688-N1692 VanDerWaalsContact O-CB 3.23Å; T1688-N1692 WeakPolarHBondContact O-CB 3.29Å; T1688-N1692 PolarHBondContact O-N 2.8Å; T1688-N1692 PolarHBondContact O-OD1 3.28Å
1689Q59.4Low55.9Low136 Ų13680.3 Ų80.364%0.63643%0.427SS*.Hα-helixtrans-64.6-44.6176.4-175176.24.700111.1S1685 V1686 S1693S1685-Q1689 WeakPolarHBondContact O-CB 3.44Å; S1685-Q1689 PolarHBondContact O-N 2.79Å; V1686-Q1689 PolarHBondContact O-N 2.83Å; Q1689-S1693 WeakPolarHBondContact O-CB 3.23Å; Q1689-S1693 PolarHBondContact O-N 3.01Å; Q1689-S1693 PolarHBondContact O-OG 2.79Å
1690Q51.1Low56.2Low60 Ų6077.5 Ų77.528%0.2841%0.41SS..Hα-helixtrans-60.9-58.4172.6-71-73.4-54.200110.8Y1668 V1686 N1692 S1693 F1694Y1668-Q1690 HydrophobicContact CD2-CG 4.22Å; Y1668-Q1690 HydrophobicContact CE2-CG 3.82Å; V1686-Q1690 WeakPolarHBondContact O-CB 3.49Å; V1686-Q1690 WeakPolarHBondContact O-CG 3.49Å; V1686-Q1690 PolarHBondContact O-N 2.79Å; Q1690-N1692 VanDerWaalsContact C-N 3.27Å; Q1690-N1692 PolarHBondContact O-N 2.95Å; Q1690-S1693 PolarHBondContact O-N 3.21Å; Q1690-S1693 PolarHBondContact O-OG 3.48Å; Q1690-F1694 HydrophobicContact CB-CE2 4.11Å; Q1690-F1694 WeakPolarHBondContact O-CD2 3.28Å; Q1690-F1694 PolarHBondContact O-N 3.29Å; Q1690-F1694 VanDerWaalsContact O-N 3.11Å
1691L54Low56.5Low31 Ų3178.7 Ų78.716%0.16241%0.413CS..Hα-helixtrans-55.5-37.5-178.6-70.1167.1000113L1687 Y1699 F1724L1687-L1691 HydrophobicContact CB-CD1 4.49Å; L1687-L1691 WeakPolarHBondContact O-CB 3.38Å; L1687-L1691 WeakPolarHBondContact O-CD1 3.22Å; L1687-L1691 WeakPolarHBondContact O-CG 3.41Å; L1687-L1691 PolarHBondContact O-N 3.49Å; L1691-Y1699 HydrophobicContact CD2-CD1 3.63Å; L1691-Y1699 HydrophobicContact CD2-CE1 4.03Å; L1691-F1724 HydrophobicContact CD1-CE1 4.36Å; L1691-F1724 HydrophobicContact CD1-CZ 4.41Å
1692N49.5Very low56.9Low103 Ų10370.4 Ų70.455%0.55138%0.377SS*.Hα-helixtrans-72.5-36.8175.8-70.2-3.3000112.4T1688 Q1690 F1694 T1695T1688-N1692 VanDerWaalsContact O-CB 3.23Å; T1688-N1692 WeakPolarHBondContact O-CB 3.29Å; T1688-N1692 PolarHBondContact O-N 2.8Å; T1688-N1692 PolarHBondContact O-OD1 3.28Å; Q1690-N1692 VanDerWaalsContact C-N 3.27Å; Q1690-N1692 PolarHBondContact O-N 2.95Å; N1692-F1694 PolarHBondContact O-N 2.79Å; N1692-T1695 VanDerWaalsContact O-CG2 3.29Å; N1692-T1695 WeakPolarHBondContact O-CG2 3.44Å; N1692-T1695 PolarHBondContact O-N 3.14Å; N1692-T1695 PolarHBondContact O-OG1 2.93Å
1693S50.1Low57.5Low74 Ų7467.3 Ų67.352%0.51736%0.363SS..Hα-helixtrans-68.1-20.7175.970.10000113.7Q1689 Q1690 T1695Q1689-S1693 WeakPolarHBondContact O-CB 3.23Å; Q1689-S1693 PolarHBondContact O-N 3.01Å; Q1689-S1693 PolarHBondContact O-OG 2.79Å; Q1690-S1693 PolarHBondContact O-N 3.21Å; Q1690-S1693 PolarHBondContact O-OG 3.48Å; S1693-T1695 VanDerWaalsContact C-N 3.3Å; S1693-T1695 PolarHBondContact O-N 3.2Å
1694F50Low58.3Low17 Ų1767.2 Ų67.28%0.07536%0.362CS..G310 helixtrans-83.34.4176.6-72.9-58.6000115.4N1665 Q1690 N1692 N1696 N1697 G1698N1665-F1694 HydrophobicContact CB-CE1 3.53Å; N1665-F1694 HydrophobicContact CB-CZ 3.44Å; N1665-F1694 VanDerWaalsContact CB-CZ 3.44Å; N1665-F1694 WeakPolarHBondContact ND2-CE1 3.13Å; N1665-F1694 WeakPolarHBondContact ND2-CZ 3.31Å; Q1690-F1694 HydrophobicContact CB-CE2 4.11Å; Q1690-F1694 WeakPolarHBondContact O-CD2 3.28Å; Q1690-F1694 PolarHBondContact O-N 3.29Å; Q1690-F1694 VanDerWaalsContact O-N 3.11Å; N1692-F1694 PolarHBondContact O-N 2.79Å; F1694-N1696 PolarHBondContact O-N 2.88Å; F1694-N1697 HydrophobicContact CD1-CB 4.41Å; F1694-N1697 PolarHBondContact O-N 3.42Å; F1694-G1698 WeakPolarHBondContact CB-O 3.28Å; F1694-G1698 PolarHBondContact O-N 2.91Å
1695T44.5Very low59.1Low115 Ų11561.3 Ų61.371%0.70634%0.337SS*.G310 helixtrans-54.8-2417840.50000114.5N1692 S1693N1692-T1695 VanDerWaalsContact O-CG2 3.29Å; N1692-T1695 WeakPolarHBondContact O-CG2 3.44Å; N1692-T1695 PolarHBondContact O-N 3.14Å; N1692-T1695 PolarHBondContact O-OG1 2.93Å; S1693-T1695 VanDerWaalsContact C-N 3.3Å; S1693-T1695 PolarHBondContact O-N 3.2Å
1696N44.3Very low60Low151 Ų15158.6 Ų58.681%0.80732%0.317SS*.G310 helixtrans-98.2-15.4175.7-69.9-18000115.3F1694F1694-N1696 PolarHBondContact O-N 2.88Å
1697N45.5Very low60.5Low149 Ų14958 Ų5880%0.79731%0.313SS*.THydrogen-bonded Turntrans-124.7-6.8-171.5-84.6-10.4000115.2F1694F1694-N1697 HydrophobicContact CD1-CB 4.41Å; F1694-N1697 PolarHBondContact O-N 3.42Å
1698G50.7Low60.9Low42 Ų4257.5 Ų57.543%0.43331%0.31SS..  trans92.1153.2178.600000114.2F1694F1694-G1698 WeakPolarHBondContact CB-O 3.28Å; F1694-G1698 PolarHBondContact O-N 2.91Å
1699Y59.1Low61.2Low158 Ų15857.5 Ų57.562%0.6231%0.306SS*.  trans-62.3145-176.6-65.4-71.1000112.7L1691L1691-Y1699 HydrophobicContact CD2-CD1 3.63Å; L1691-Y1699 HydrophobicContact CD2-CE1 4.03Å
1700P64.1Low61.3Low9 Ų953 Ų536%0.05829%0.285CS..  trans-61.3141.9172.926.7-34.4000110.6P1729P1700-P1729 HydrophobicContact CG-CG 4.22Å; P1700-P1729 VanDerWaalsContact O-CB 3.25Å; P1700-P1729 WeakPolarHBondContact O-CB 3.5Å; P1700-P1729 VanDerWaalsContact O-CG 3.27Å; P1700-P1729 WeakPolarHBondContact O-CG 3.45Å
1701E66.3Low61.8Low63 Ų6350.9 Ų50.929%0.29428%0.275SS..SBendtrans-79.3-32.1-174.5-163.9171.8-160.200111.1V1658 T1659 T1666 K1730V1658-E1701 WeakPolarHBondContact CA-OE2 3.41Å; V1658-E1701 WeakPolarHBondContact CG1-OE2 3.18Å; V1658-E1701 HydrophobicContact CG2-CB 4.41Å; T1659-E1701 WeakPolarHBondContact CG2-OE1 3.32Å; T1659-E1701 PolarHBondContact N-OE1 3.47Å; T1659-E1701 PolarHBondContact N-OE2 3.03Å; T1659-E1701 PolarHBondContact OG1-OE1 3.32Å; T1659-E1701 PolarHBondContact OG1-OE2 3.43Å; T1666-E1701 HydrophobicContact CG2-CB 4.44Å; T1666-E1701 PolarHBondContact O-N 3.21Å; E1701-K1730 PolarHBondContact O-N 3.24Å
1702V68.2Low61.9Low3 Ų357.1 Ų57.12%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-139.4138.4179.5-1680000112.1T1654 L1657 V1658 T1666 V1667 Y1668 K1730 V1732T1654-V1702 HydrophobicContact CG2-CB 3.65Å; T1654-V1702 HydrophobicContact CG2-CG1 3.56Å; T1654-V1702 HydrophobicContact CG2-CG2 4.07Å; L1657-V1702 HydrophobicContact CB-CG2 4.43Å; V1658-V1702 HydrophobicContact CG2-CG2 4.01Å; T1666-V1702 PolarHBondContact O-N 3.42Å; V1667-V1702 WeakPolarHBondContact CA-O 3.37Å; Y1668-V1702 PolarHBondContact N-O 3.31Å; V1702-K1730 CarbonylContact C-O 3.59Å; V1702-K1730 WeakPolarHBondContact CA-O 3.11Å; V1702-K1730 HydrophobicContact CG1-CB 4.49Å; V1702-K1730 WeakPolarHBondContact CG1-O 3.17Å; V1702-V1732 HydrophobicContact CG1-CG2 3.9Å
1703I76.4Confident62.4Low3 Ų353.4 Ų53.42%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-114.1118.5172-64.7170.9000108.9Y1668 L1687 L1705 P1729 K1730 I1731 V1732Y1668-I1703 HydrophobicContact CD1-CG2 4.39Å; Y1668-I1703 CarbonylContact O-C 3.5Å; Y1668-I1703 WeakPolarHBondContact O-CA 3.49Å; L1687-I1703 HydrophobicContact CD2-CD1 3.96Å; I1703-L1705 HydrophobicContact CG2-CD2 4.08Å; I1703-L1705 HydrophobicContact CG2-CG 4.32Å; I1703-P1729 HydrophobicContact CD1-CB 3.74Å; I1703-P1729 HydrophobicContact CD1-CG 3.81Å; I1703-P1729 HydrophobicContact CG1-CB 3.81Å; I1703-P1729 HydrophobicContact CG1-CG 4.3Å; I1703-K1730 PolarHBondContact N-O 3.08Å; I1703-I1731 CarbonylContact O-C 3.54Å; I1703-I1731 WeakPolarHBondContact O-CA 3.04Å; I1703-V1732 PolarHBondContact O-N 2.85Å
1704N81Confident62.7Low1 Ų152.6 Ų52.61%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-94.1124.4174.9-66.8-20.8000110.4V1650 T1654 Y1668 N1669 F1670 L1706 V1732V1650-N1704 HydrophobicContact CG1-CB 3.99Å; V1650-N1704 WeakPolarHBondContact CG1-OD1 3.32Å; T1654-N1704 PolarHBondContact OG1-OD1 3.45Å; Y1668-N1704 PolarHBondContact O-N 3.2Å; N1669-N1704 WeakPolarHBondContact OD1-CB 3.32Å; N1669-N1704 PolarHBondContact OD1-ND2 3.34Å; F1670-N1704 PolarHBondContact N-O 3.36Å; N1704-L1706 HydrophobicContact CB-CD2 4.46Å; N1704-V1732 CarbonylContact C-O 3.48Å; N1704-V1732 VanDerWaalsContact CA-O 3.31Å; N1704-V1732 WeakPolarHBondContact CA-O 3.36Å
1705L79.2Confident63.3Low3 Ų352.2 Ų52.22%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-11092.2177.9-68-174.5000110.1F1670 F1672 I1703 I1708 I1731 V1732 G1733 T1734F1670-L1705 HydrophobicContact CB-CD2 3.99Å; F1670-L1705 HydrophobicContact CD1-CD2 4.42Å; F1672-L1705 HydrophobicContact CE2-CB 4.25Å; F1672-L1705 HydrophobicContact CE2-CD2 4.41Å; I1703-L1705 HydrophobicContact CG2-CD2 4.08Å; I1703-L1705 HydrophobicContact CG2-CG 4.32Å; L1705-I1708 HydrophobicContact CB-CD1 3.91Å; L1705-I1708 HydrophobicContact CB-CG1 4.08Å; L1705-I1708 WeakPolarHBondContact O-CG1 3.28Å; L1705-I1731 HydrophobicContact CD1-CG2 3.55Å; L1705-I1731 HydrophobicContact CG-CG2 3.9Å; L1705-V1732 PolarHBondContact N-O 3.41Å; L1705-G1733 CarbonylContact O-C 3.49Å; L1705-G1733 VanDerWaalsContact O-CA 3.24Å; L1705-G1733 WeakPolarHBondContact O-CA 3.35Å; L1705-T1734 PolarHBondContact O-N 2.94Å
1706L79.3Confident63.8Low6 Ų648.9 Ų48.93%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-92.2133.2-170.7-56.6179.9000112.4V1650 F1670 R1671 F1672 N1704 T1734V1650-L1706 HydrophobicContact CB-CD2 4.25Å; V1650-L1706 HydrophobicContact CG1-CD2 4.01Å; F1670-L1706 PolarHBondContact O-N 3.11Å; R1671-L1706 HydrophobicContact CB-CB 4.42Å; R1671-L1706 HydrophobicContact CG-CB 4.38Å; F1672-L1706 WeakPolarHBondContact CD2-O 3.19Å; F1672-L1706 PolarHBondContact N-O 3.48Å; N1704-L1706 HydrophobicContact CB-CD2 4.46Å; L1706-T1734 HydrophobicContact CD2-CG2 4.04Å
1707N74.4Confident64.5Low26 Ų2644.6 Ų44.614%0.13924%0.241CC..THydrogen-bonded Turntrans67.441.2177.5-53.2-17.3000114.8S1647 F1672 H1674 Q1709 H1710 T1734S1647-N1707 PolarHBondContact OG-OD1 3.06Å; F1672-N1707 WeakPolarHBondContact CB-O 3.23Å; H1674-N1707 PolarHBondContact CE1-ND2 3.45Å; N1707-Q1709 PolarHBondContact O-N 3.34Å; N1707-H1710 PolarHBondContact O-CD2 3.49Å; N1707-H1710 PolarHBondContact O-N 2.88Å; N1707-T1734 PolarHBondContact N-O 3.25Å; N1707-T1734 PolarHBondContact N-OG1 2.92Å
1708I72.9Confident65.3Low0 Ų037.8 Ų37.80%020%0.204CC..G310 helixtrans-49.8-27.6-177.8-64176.7000113.2I1637 F1672 L1705 H1710 F1711 F1715 T1734 L1742I1637-I1708 HydrophobicContact CD1-CD1 4.33Å; I1637-I1708 HydrophobicContact CG1-CD1 4.37Å; I1637-I1708 HydrophobicContact CG2-CD1 4.17Å; F1672-I1708 HydrophobicContact CD2-CG1 4.24Å; F1672-I1708 HydrophobicContact CE2-CG1 3.87Å; L1705-I1708 HydrophobicContact CB-CD1 3.91Å; L1705-I1708 HydrophobicContact CB-CG1 4.08Å; L1705-I1708 WeakPolarHBondContact O-CG1 3.28Å; I1708-H1710 PolarHBondContact O-N 3.49Å; I1708-F1711 WeakPolarHBondContact O-CB 3.29Å; I1708-F1711 PolarHBondContact O-N 3.41Å; I1708-F1711 VanDerWaalsContact O-N 3.07Å; I1708-F1715 HydrophobicContact CG2-CD1 4.33Å; I1708-F1715 HydrophobicContact CG2-CE1 3.44Å; I1708-F1715 VanDerWaalsContact CG2-CE1 3.44Å; I1708-F1715 HydrophobicContact CG2-CZ 4.08Å; I1708-T1734 WeakPolarHBondContact CB-O 3.27Å; I1708-T1734 WeakPolarHBondContact CG1-O 3.31Å; I1708-T1734 PolarHBondContact N-O 3.25Å; I1708-L1742 HydrophobicContact CG2-CD1 4.22Å
1709Q66.2Low65.9Low57 Ų5736.5 Ų36.527%0.26619%0.187SC..G310 helixtrans-63.5-5.7-179.376.5-77.8-19.700116.5N1707 N1739N1707-Q1709 PolarHBondContact O-N 3.34Å; Q1709-N1739 WeakPolarHBondContact CA-ND2 3.36Å; Q1709-N1739 VanDerWaalsContact CB-ND2 3.35Å; Q1709-N1739 WeakPolarHBondContact CB-ND2 3.3Å
1710H60Low65.8Low42 Ų4231.2 Ų31.219%0.19417%0.173CC..G310 helixtrans-97-1.2174.1-60.6-79.2000113.9K1673 H1674 G1676 N1707 I1708 Q1712K1673-H1710 VanDerWaalsContact O-CB 3.23Å; K1673-H1710 WeakPolarHBondContact O-CB 3.42Å; H1674-H1710 AromaticContact CE1-CD2 3.97Å; H1674-H1710 AromaticContact CE1-NE2 3.57Å; H1674-H1710 AromaticContact ND1-CD2 3.35Å; H1674-H1710 PolarHBondContact ND1-CD2 2.83Å; H1674-H1710 AromaticContact ND1-CE1 3.34Å; H1674-H1710 PolarHBondContact ND1-CE1 3.5Å; H1674-H1710 VanDerWaalsContact ND1-CE1 3.34Å; H1674-H1710 AromaticContact ND1-CG 3.89Å; H1674-H1710 AromaticContact ND1-ND1 3.86Å; H1674-H1710 AromaticContact ND1-NE2 2.95Å; H1674-H1710 PolarHBondContact ND1-NE2 3.33Å; G1676-H1710 VanDerWaalsContact CA-O 3.3Å; G1676-H1710 WeakPolarHBondContact CA-O 3.29Å; N1707-H1710 PolarHBondContact O-CD2 3.49Å; N1707-H1710 PolarHBondContact O-N 2.88Å; I1708-H1710 PolarHBondContact O-N 3.49Å; H1710-Q1712 PolarHBondContact O-N 3.02Å
1711F63Low65.2Low15 Ų1536.5 Ų36.57%0.06620%0.195CC..  trans-72.7122.1176.3178.6-111.4000111.4F1672 V1680 I1708 G1713 F1715 L1718F1672-F1711 HydrophobicContact CD1-CB 3.96Å; F1672-F1711 HydrophobicContact CD1-CD2 4.26Å; F1672-F1711 HydrophobicContact CE1-CB 3.86Å; F1672-F1711 AromaticContact CE1-CD2 3.65Å; F1672-F1711 HydrophobicContact CE1-CD2 3.65Å; F1672-F1711 HydrophobicContact CE1-CE2 4.5Å; F1672-F1711 HydrophobicContact CE1-CG 4.03Å; V1680-F1711 HydrophobicContact CG2-CE2 3.58Å; V1680-F1711 HydrophobicContact CG2-CZ 3.43Å; V1680-F1711 VanDerWaalsContact CG2-CZ 3.43Å; I1708-F1711 WeakPolarHBondContact O-CB 3.29Å; I1708-F1711 PolarHBondContact O-N 3.41Å; I1708-F1711 VanDerWaalsContact O-N 3.07Å; F1711-G1713 WeakPolarHBondContact CD1-O 3.43Å; F1711-G1713 WeakPolarHBondContact CE1-O 3.47Å; F1711-F1715 HydrophobicContact CB-CE1 4.2Å; F1711-F1715 HydrophobicContact CB-CZ 4.31Å; F1711-F1715 AromaticContact CD1-CD1 3.83Å; F1711-F1715 HydrophobicContact CD1-CD1 3.83Å; F1711-F1715 AromaticContact CD1-CE1 3.36Å; F1711-F1715 HydrophobicContact CD1-CE1 3.36Å; F1711-F1715 HydrophobicContact CD1-CE2 4.42Å; F1711-F1715 AromaticContact CD1-CZ 3.71Å; F1711-F1715 HydrophobicContact CD1-CZ 3.71Å; F1711-F1715 HydrophobicContact CE1-CD1 4.06Å; F1711-F1715 HydrophobicContact CE1-CE1 4.06Å; F1711-F1715 HydrophobicContact CG-CE1 4.19Å; F1711-L1718 HydrophobicContact CE1-CB 4.34Å; F1711-L1718 HydrophobicContact CZ-CB 4.19Å; F1711-L1718 HydrophobicContact CZ-CD1 4.33Å
1712Q56.2Low64.7Low162 Ų16234.8 Ų34.876%0.75719%0.188SC*.  trans-9411.4-179.6-62.6-174.41.500114.1H1710H1710-Q1712 PolarHBondContact O-N 3.02Å
1713G59.3Low63.7Low26 Ų2643 Ų4327%0.26822%0.223SC..SBendtrans-102.8170.6177.600000112.7F1711F1711-G1713 WeakPolarHBondContact CD1-O 3.43Å; F1711-G1713 WeakPolarHBondContact CE1-O 3.47Å
1714S55.8Low62.5Low57 Ų5746.3 Ų46.340%0.39924%0.238SC..  trans-75.2133.4173.5910000111.1S1716 D1717 L1718S1714-S1716 PolarHBondContact O-N 2.81Å; S1714-D1717 PolarHBondContact O-N 2.99Å; S1714-D1717 VanDerWaalsContact O-N 3.1Å; S1714-D1717 PolarHBondContact OG-N 2.95Å; S1714-L1718 PolarHBondContact O-N 3.48Å
1715F62.6Low60.8Low9 Ų950.7 Ų50.74%0.03927%0.268CS..Hα-helixtrans-66.4-23.5178.6-64.5-74.2000112.8I1708 F1711 D1717 L1718 F1719 E1741 L1742I1708-F1715 HydrophobicContact CG2-CD1 4.33Å; I1708-F1715 HydrophobicContact CG2-CE1 3.44Å; I1708-F1715 VanDerWaalsContact CG2-CE1 3.44Å; I1708-F1715 HydrophobicContact CG2-CZ 4.08Å; F1711-F1715 HydrophobicContact CB-CE1 4.2Å; F1711-F1715 HydrophobicContact CB-CZ 4.31Å; F1711-F1715 AromaticContact CD1-CD1 3.83Å; F1711-F1715 HydrophobicContact CD1-CD1 3.83Å; F1711-F1715 AromaticContact CD1-CE1 3.36Å; F1711-F1715 HydrophobicContact CD1-CE1 3.36Å; F1711-F1715 HydrophobicContact CD1-CE2 4.42Å; F1711-F1715 AromaticContact CD1-CZ 3.71Å; F1711-F1715 HydrophobicContact CD1-CZ 3.71Å; F1711-F1715 HydrophobicContact CE1-CD1 4.06Å; F1711-F1715 HydrophobicContact CE1-CE1 4.06Å; F1711-F1715 HydrophobicContact CG-CE1 4.19Å; F1715-D1717 VanDerWaalsContact C-N 3.32Å; F1715-D1717 PolarHBondContact O-N 3.09Å; F1715-L1718 PolarHBondContact O-N 3.37Å; F1715-F1719 HydrophobicContact CB-CD2 4.25Å; F1715-F1719 HydrophobicContact CB-CE2 4.34Å; F1715-F1719 HydrophobicContact CD1-CE2 4.28Å; F1715-F1719 VanDerWaalsContact O-CD2 3.31Å; F1715-F1719 WeakPolarHBondContact O-CD2 3.41Å; F1715-F1719 PolarHBondContact O-N 2.86Å; F1715-E1741 HydrophobicContact CD2-CB 4.42Å; F1715-L1742 HydrophobicContact CB-CD2 4.08Å; F1715-L1742 HydrophobicContact CD1-CD2 3.61Å; F1715-L1742 HydrophobicContact CD1-CG 4.26Å; F1715-L1742 HydrophobicContact CD2-CD1 4.42Å; F1715-L1742 HydrophobicContact CD2-CD2 3.71Å; F1715-L1742 HydrophobicContact CD2-CG 3.66Å; F1715-L1742 HydrophobicContact CE1-CD1 4.12Å; F1715-L1742 HydrophobicContact CE1-CD2 3.95Å; F1715-L1742 HydrophobicContact CE1-CG 4.22Å; F1715-L1742 HydrophobicContact CE2-CD1 3.92Å; F1715-L1742 HydrophobicContact CE2-CD2 4.05Å; F1715-L1742 HydrophobicContact CE2-CG 3.62Å; F1715-L1742 HydrophobicContact CG-CD2 3.48Å; F1715-L1742 VanDerWaalsContact CG-CD2 3.48Å; F1715-L1742 HydrophobicContact CG-CG 3.99Å; F1715-L1742 HydrophobicContact CZ-CD1 3.74Å; F1715-L1742 HydrophobicContact CZ-CD2 4.15Å; F1715-L1742 HydrophobicContact CZ-CG 3.9Å
1716S56.1Low59.4Low44 Ų4456.3 Ų56.331%0.30831%0.308SS..Hα-helixtrans-53.5-50.1167.9-160.10000111.4S1714 L1718 F1719 S1720 F1745S1714-S1716 PolarHBondContact O-N 2.81Å; S1716-L1718 VanDerWaalsContact C-N 3.29Å; S1716-L1718 PolarHBondContact O-N 2.82Å; S1716-F1719 PolarHBondContact O-N 3.27Å; S1716-S1720 WeakPolarHBondContact O-CB 3.44Å; S1716-S1720 PolarHBondContact O-N 3.31Å; S1716-S1720 PolarHBondContact O-OG 2.77Å; S1716-F1745 VanDerWaalsContact CB-CE1 3.4Å; S1716-F1745 WeakPolarHBondContact OG-CE1 3.11Å
1717D58.3Low58.1Low62 Ų6262 Ų6233%0.33234%0.338SS..Hα-helixtrans-70.7-29.3-174-133.649.3000111.8S1714 F1715 K1721S1714-D1717 PolarHBondContact O-N 2.99Å; S1714-D1717 VanDerWaalsContact O-N 3.1Å; S1714-D1717 PolarHBondContact OG-N 2.95Å; F1715-D1717 VanDerWaalsContact C-N 3.32Å; F1715-D1717 PolarHBondContact O-N 3.09Å; D1717-K1721 WeakPolarHBondContact O-CB 3.37Å; D1717-K1721 VanDerWaalsContact O-CD 3.31Å; D1717-K1721 WeakPolarHBondContact O-CD 3.37Å; D1717-K1721 VanDerWaalsContact O-CG 3.31Å; D1717-K1721 WeakPolarHBondContact O-CG 3.46Å; D1717-K1721 WeakPolarHBondContact OD1-CE 3.22Å; D1717-K1721 IonicContact OD1-NZ 2.72Å; D1717-K1721 PolarHBondContact OD1-NZ 3.02Å; D1717-K1721 IonicContact OD2-NZ 2.64Å; D1717-K1721 PolarHBondContact OD2-NZ 3.34Å
1718L62.1Low57.4Low6 Ų663.1 Ų63.13%0.03135%0.348CS..Hα-helixtrans-70.6-57.4173-168.772.6000111.5L1683 F1711 S1714 F1715 S1716 L1722L1683-L1718 HydrophobicContact CD1-CD1 4.04Å; L1683-L1718 HydrophobicContact CD2-CD1 4.22Å; F1711-L1718 HydrophobicContact CE1-CB 4.34Å; F1711-L1718 HydrophobicContact CZ-CB 4.19Å; F1711-L1718 HydrophobicContact CZ-CD1 4.33Å; S1714-L1718 PolarHBondContact O-N 3.48Å; F1715-L1718 PolarHBondContact O-N 3.37Å; S1716-L1718 VanDerWaalsContact C-N 3.29Å; S1716-L1718 PolarHBondContact O-N 2.82Å; L1718-L1722 HydrophobicContact CG-CD1 4.38Å; L1718-L1722 WeakPolarHBondContact O-CD1 3.19Å; L1718-L1722 VanDerWaalsContact O-CG 3.27Å; L1718-L1722 WeakPolarHBondContact O-CG 3.5Å; L1718-L1722 PolarHBondContact O-N 3.17Å
1719F63.3Low57.1Low14 Ų1463.4 Ų63.46%0.06135%0.35CS..Hα-helixtrans-80.8-32.2-171-68.1-63.8000114I1635 I1637 F1715 S1716 K1721 L1722 I1751I1635-F1719 HydrophobicContact CD1-CD1 3.88Å; I1635-F1719 HydrophobicContact CD1-CE1 4.36Å; I1635-F1719 HydrophobicContact CG2-CD1 4.33Å; I1635-F1719 HydrophobicContact CG2-CE1 3.82Å; I1635-F1719 HydrophobicContact CG2-CZ 4.45Å; I1637-F1719 HydrophobicContact CD1-CE2 4.33Å; I1637-F1719 HydrophobicContact CD1-CZ 3.99Å; F1715-F1719 HydrophobicContact CB-CD2 4.25Å; F1715-F1719 HydrophobicContact CB-CE2 4.34Å; F1715-F1719 HydrophobicContact CD1-CE2 4.28Å; F1715-F1719 VanDerWaalsContact O-CD2 3.31Å; F1715-F1719 WeakPolarHBondContact O-CD2 3.41Å; F1715-F1719 PolarHBondContact O-N 2.86Å; S1716-F1719 PolarHBondContact O-N 3.27Å; F1719-K1721 VanDerWaalsContact C-N 3.3Å; F1719-K1721 PolarHBondContact O-N 3.17Å; F1719-L1722 CarbonylContact O-C 3.49Å; F1719-L1722 PolarHBondContact O-N 2.78Å; F1719-I1751 HydrophobicContact CB-CD1 4.34Å; F1719-I1751 HydrophobicContact CD1-CD1 4.22Å; F1719-I1751 HydrophobicContact CD2-CD1 3.67Å; F1719-I1751 HydrophobicContact CE1-CD1 4.48Å; F1719-I1751 HydrophobicContact CE2-CD1 3.96Å; F1719-I1751 HydrophobicContact CG-CD1 3.82Å; F1719-I1751 HydrophobicContact CZ-CD1 4.37Å
1720S58Low57.3Low48 Ų4863.8 Ų63.834%0.33635%0.35SS..Hα-helixtrans-66.2-32.7176.165.10000112.7S1716 L1722 K1723S1716-S1720 WeakPolarHBondContact O-CB 3.44Å; S1716-S1720 PolarHBondContact O-N 3.31Å; S1716-S1720 PolarHBondContact O-OG 2.77Å; S1720-L1722 VanDerWaalsContact C-N 3.31Å; S1720-K1723 WeakPolarHBondContact O-CB 3.16Å; S1720-K1723 PolarHBondContact O-N 2.72Å
1721K50.5Low57.9Low119 Ų11962 Ų6252%0.51734%0.342SS..THydrogen-bonded Turntrans-85.5-6177.7-60.1177.7-168.6173.30112.7D1717 F1719D1717-K1721 WeakPolarHBondContact O-CB 3.37Å; D1717-K1721 VanDerWaalsContact O-CD 3.31Å; D1717-K1721 WeakPolarHBondContact O-CD 3.37Å; D1717-K1721 VanDerWaalsContact O-CG 3.31Å; D1717-K1721 WeakPolarHBondContact O-CG 3.46Å; D1717-K1721 WeakPolarHBondContact OD1-CE 3.22Å; D1717-K1721 IonicContact OD1-NZ 2.72Å; D1717-K1721 PolarHBondContact OD1-NZ 3.02Å; D1717-K1721 IonicContact OD2-NZ 2.64Å; D1717-K1721 PolarHBondContact OD2-NZ 3.34Å; F1719-K1721 VanDerWaalsContact C-N 3.3Å; F1719-K1721 PolarHBondContact O-N 3.17Å
1722L55.4Low58.6Low27 Ų2761.3 Ų61.314%0.14134%0.339CS..THydrogen-bonded Turntrans-101.127.6165.1-64.9170.1000111.4L1687 L1718 F1719 S1720 F1724 I1731L1687-L1722 HydrophobicContact CD1-CD2 3.76Å; L1718-L1722 HydrophobicContact CG-CD1 4.38Å; L1718-L1722 WeakPolarHBondContact O-CD1 3.19Å; L1718-L1722 VanDerWaalsContact O-CG 3.27Å; L1718-L1722 WeakPolarHBondContact O-CG 3.5Å; L1718-L1722 PolarHBondContact O-N 3.17Å; F1719-L1722 CarbonylContact O-C 3.49Å; F1719-L1722 PolarHBondContact O-N 2.78Å; S1720-L1722 VanDerWaalsContact C-N 3.31Å; L1722-F1724 VanDerWaalsContact C-N 3.3Å; L1722-F1724 HydrophobicContact CB-CD2 4.25Å; L1722-F1724 HydrophobicContact CB-CE2 4.06Å; L1722-F1724 HydrophobicContact CD2-CE2 3.78Å; L1722-F1724 HydrophobicContact CD2-CZ 3.84Å; L1722-F1724 HydrophobicContact CG-CE2 4.46Å; L1722-F1724 VanDerWaalsContact O-CD2 3.22Å; L1722-F1724 WeakPolarHBondContact O-CD2 3.48Å; L1722-F1724 WeakPolarHBondContact O-CG 3.25Å; L1722-F1724 PolarHBondContact O-N 3.1Å; L1722-I1731 HydrophobicContact CD1-CD1 4.32Å
1723K48.8Very low59.6Low175 Ų17553.7 Ų53.776%0.76130%0.304SS*.  trans-66.494.1168.9-93.2-171.9173.9179.80110.1S1720S1720-K1723 WeakPolarHBondContact O-CB 3.16Å; S1720-K1723 PolarHBondContact O-N 2.72Å
1724F51.3Low60.4Low74 Ų7452.5 Ų52.533%0.32529%0.292SS..  trans-92.4142-174.8-85.8-47.5000111.2L1691 L1722 C1728 I1731L1691-F1724 HydrophobicContact CD1-CE1 4.36Å; L1691-F1724 HydrophobicContact CD1-CZ 4.41Å; L1722-F1724 VanDerWaalsContact C-N 3.3Å; L1722-F1724 HydrophobicContact CB-CD2 4.25Å; L1722-F1724 HydrophobicContact CB-CE2 4.06Å; L1722-F1724 HydrophobicContact CD2-CE2 3.78Å; L1722-F1724 HydrophobicContact CD2-CZ 3.84Å; L1722-F1724 HydrophobicContact CG-CE2 4.46Å; L1722-F1724 VanDerWaalsContact O-CD2 3.22Å; L1722-F1724 WeakPolarHBondContact O-CD2 3.48Å; L1722-F1724 WeakPolarHBondContact O-CG 3.25Å; L1722-F1724 PolarHBondContact O-N 3.1Å; F1724-C1728 HydrophobicContact CB-CB 3.45Å; F1724-C1728 VanDerWaalsContact CB-CB 3.45Å; F1724-C1728 VanDerWaalsContact CB-SG 3.5Å; F1724-C1728 HydrophobicContact CD1-CB 4.02Å; F1724-C1728 WeakPolarHBondContact CD1-SG 3.38Å; F1724-C1728 HydrophobicContact CD2-CB 4.42Å; F1724-C1728 HydrophobicContact CG-CB 3.74Å; F1724-I1731 HydrophobicContact CD2-CD1 4.36Å; F1724-I1731 HydrophobicContact CE2-CD1 4.12Å
1725S44.6Very low61.2Low93 Ų9349.8 Ų49.865%0.6527%0.273SS*.  trans-78-179.7177.257.20000111.6N1727 C1728S1725-N1727 PolarHBondContact O-N 3.02Å; S1725-C1728 WeakPolarHBondContact O-CB 3.21Å; S1725-C1728 PolarHBondContact O-SG 3.17Å
1726S50.3Low61.4Low121 Ų12150 Ų5085%0.84628%0.278SS*.SBendtrans-59.7-15.1-170.157.90000116.2
1727N51.9Low61.7Low125 Ų12549.9 Ų49.967%0.66828%0.275SS*.SBendtrans-114.371.4-179.6-65.715.2000109.8S1725S1725-N1727 PolarHBondContact O-N 3.02Å
1728C58.6Low61.5Low50 Ų5048 Ų4834%0.33827%0.27SS..  trans-142.2159.5-172.5-80.60000114.6F1724 S1725F1724-C1728 HydrophobicContact CB-CB 3.45Å; F1724-C1728 VanDerWaalsContact CB-CB 3.45Å; F1724-C1728 VanDerWaalsContact CB-SG 3.5Å; F1724-C1728 HydrophobicContact CD1-CB 4.02Å; F1724-C1728 WeakPolarHBondContact CD1-SG 3.38Å; F1724-C1728 HydrophobicContact CD2-CB 4.42Å; F1724-C1728 HydrophobicContact CG-CB 3.74Å; S1725-C1728 WeakPolarHBondContact O-CB 3.21Å; S1725-C1728 PolarHBondContact O-SG 3.17Å
1729P66.5Low61.1Low6 Ų650.1 Ų50.14%0.03928%0.281CS..PPolyproline II helixtrans-67.1146.1-170.5-17.831.8000112.4P1700 I1703P1700-P1729 HydrophobicContact CG-CG 4.22Å; P1700-P1729 VanDerWaalsContact O-CB 3.25Å; P1700-P1729 WeakPolarHBondContact O-CB 3.5Å; P1700-P1729 VanDerWaalsContact O-CG 3.27Å; P1700-P1729 WeakPolarHBondContact O-CG 3.45Å; I1703-P1729 HydrophobicContact CD1-CB 3.74Å; I1703-P1729 HydrophobicContact CD1-CG 3.81Å; I1703-P1729 HydrophobicContact CG1-CB 3.81Å; I1703-P1729 HydrophobicContact CG1-CG 4.3Å
1730K71.7Confident60.4Low65 Ų6553.2 Ų53.228%0.28330%0.298SS..EExtended strand (participates in β ladder)trans-73.4129.7168.2-89.3168.6167.91610110.5I1630 R1631 N1633 E1701 V1702 I1703I1630-K1730 WeakPolarHBondContact O-CD 3.39Å; I1630-K1730 WeakPolarHBondContact O-CE 3.25Å; R1631-K1730 WeakPolarHBondContact O-CE 3.35Å; R1631-K1730 PolarHBondContact O-NZ 3.41Å; N1633-K1730 WeakPolarHBondContact O-CE 3.49Å; E1701-K1730 PolarHBondContact O-N 3.24Å; V1702-K1730 CarbonylContact C-O 3.59Å; V1702-K1730 WeakPolarHBondContact CA-O 3.11Å; V1702-K1730 HydrophobicContact CG1-CB 4.49Å; V1702-K1730 WeakPolarHBondContact CG1-O 3.17Å; I1703-K1730 PolarHBondContact N-O 3.08Å
1731I71.3Confident59.9Low5 Ų556.8 Ų56.83%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-101.3119.5-179.5-54.7179.7000109.2S1634 I1635 V1636 I1703 L1705 L1722 F1724S1634-I1731 PolarHBondContact O-N 2.93Å; I1635-I1731 WeakPolarHBondContact CA-O 3.14Å; I1635-I1731 HydrophobicContact CB-CB 4.49Å; I1635-I1731 HydrophobicContact CD1-CD1 4.29Å; I1635-I1731 HydrophobicContact CG1-CB 4.3Å; I1635-I1731 HydrophobicContact CG1-CD1 4.26Å; I1635-I1731 HydrophobicContact CG2-CB 4.13Å; I1635-I1731 HydrophobicContact CG2-CG2 4.27Å; V1636-I1731 PolarHBondContact N-O 3.16Å; I1703-I1731 CarbonylContact O-C 3.54Å; I1703-I1731 WeakPolarHBondContact O-CA 3.04Å; L1705-I1731 HydrophobicContact CD1-CG2 3.55Å; L1705-I1731 HydrophobicContact CG-CG2 3.9Å; L1722-I1731 HydrophobicContact CD1-CD1 4.32Å; F1724-I1731 HydrophobicContact CD2-CD1 4.36Å; F1724-I1731 HydrophobicContact CE2-CD1 4.12Å
1732V77.6Confident60.1Low0 Ų051.3 Ų51.30%029%0.285CS..EExtended strand (participates in β ladder)trans-118.8108.6179.7-170.10000110.1I1630 V1636 V1650 V1702 I1703 N1704 L1705I1630-V1732 HydrophobicContact CD1-CG1 4.36Å; I1630-V1732 HydrophobicContact CG2-CG2 3.71Å; V1636-V1732 CarbonylContact O-C 3.6Å; V1636-V1732 WeakPolarHBondContact O-CA 3.26Å; V1650-V1732 HydrophobicContact CB-CG1 4.32Å; V1650-V1732 HydrophobicContact CG1-CB 4.12Å; V1650-V1732 HydrophobicContact CG1-CG1 3.73Å; V1650-V1732 HydrophobicContact CG2-CG1 3.73Å; V1702-V1732 HydrophobicContact CG1-CG2 3.9Å; I1703-V1732 PolarHBondContact O-N 2.85Å; N1704-V1732 CarbonylContact C-O 3.48Å; N1704-V1732 VanDerWaalsContact CA-O 3.31Å; N1704-V1732 WeakPolarHBondContact CA-O 3.36Å; L1705-V1732 PolarHBondContact N-O 3.41Å
1733G76.8Confident59.9Low1 Ų155.2 Ų55.21%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-98.1157.9-176.800000114.8V1636 I1638 L1705V1636-G1733 PolarHBondContact O-N 2.82Å; I1638-G1733 PolarHBondContact N-O 3.28Å; L1705-G1733 CarbonylContact O-C 3.49Å; L1705-G1733 VanDerWaalsContact O-CA 3.24Å; L1705-G1733 WeakPolarHBondContact O-CA 3.35Å
1734T77.8Confident60Low2 Ų254 Ų541%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-123.8136.2162.166.20000111.9I1638 K1646 S1647 V1650 L1705 L1706 N1707 I1708I1638-T1734 WeakPolarHBondContact O-CA 3.5Å; K1646-T1734 HydrophobicContact CB-CG2 4.06Å; S1647-T1734 PolarHBondContact OG-OG1 3.39Å; V1650-T1734 HydrophobicContact CB-CG2 4.1Å; V1650-T1734 HydrophobicContact CG2-CG2 3.4Å; L1705-T1734 PolarHBondContact O-N 2.94Å; L1706-T1734 HydrophobicContact CD2-CG2 4.04Å; N1707-T1734 PolarHBondContact N-O 3.25Å; N1707-T1734 PolarHBondContact N-OG1 2.92Å; I1708-T1734 WeakPolarHBondContact CB-O 3.27Å; I1708-T1734 WeakPolarHBondContact CG1-O 3.31Å; I1708-T1734 PolarHBondContact N-O 3.25Å
1735S72.6Confident59.9Low0 Ų053.3 Ų53.30%030%0.295CS..EExtended strand (participates in β ladder)trans-136.9151.2176.9-177.80000112.2I1638 Y1639 G1640 K1646 N1739I1638-S1735 PolarHBondContact O-N 2.89Å; Y1639-S1735 WeakPolarHBondContact CA-O 3.01Å; Y1639-S1735 WeakPolarHBondContact CE1-OG 3.41Å; G1640-S1735 PolarHBondContact N-O 3.47Å; K1646-S1735 WeakPolarHBondContact CE-O 3.4Å; S1735-N1739 PolarHBondContact OG-ND2 2.83Å
1736G66.6Low60.4Low14 Ų1450 Ų5014%0.14427%0.27CS..EExtended strand (participates in β ladder)trans-69162.2164.100000112.8
1737T60.9Low60.5Low41 Ų4151.3 Ų51.325%0.25227%0.266SS..THydrogen-bonded Turntrans-66138.4165.838.80000111.6G1640G1640-T1737 PolarHBondContact O-N 3.41Å
1738G54.1Low60.5Low23 Ų2352.8 Ų52.824%0.23727%0.268CS..THydrogen-bonded Turntrans114.6-6.2166.800000117I1740 Q1835G1738-I1740 PolarHBondContact O-N 2.81Å; G1738-Q1835 PolarHBondContact O-NE2 3.38Å
1739N53.8Low60.1Low49 Ų4953.2 Ų53.226%0.26227%0.267SS..  trans-76.286.2-179.5-76.8-14.1000112.8Q1709 S1735 E1741 L1742 E1743Q1709-N1739 WeakPolarHBondContact CA-ND2 3.36Å; Q1709-N1739 VanDerWaalsContact CB-ND2 3.35Å; Q1709-N1739 WeakPolarHBondContact CB-ND2 3.3Å; S1735-N1739 PolarHBondContact OG-ND2 2.83Å; N1739-E1741 PolarHBondContact O-N 3.1Å; N1739-E1741 VanDerWaalsContact O-N 3.16Å; N1739-L1742 HydrophobicContact CB-CB 4.15Å; N1739-L1742 HydrophobicContact CB-CD1 3.83Å; N1739-L1742 HydrophobicContact CB-CG 4.34Å; N1739-L1742 PolarHBondContact O-N 3.08Å; N1739-E1743 PolarHBondContact O-N 2.65Å
1740I49.8Very low59.8Low79 Ų7960.8 Ų60.841%0.40530%0.302SS..Hα-helixtrans-53.6-35.3179.5-56.5174.8000112.4G1738 L1742 E1743 K1744 Q1835G1738-I1740 PolarHBondContact O-N 2.81Å; I1740-L1742 VanDerWaalsContact C-N 3.34Å; I1740-L1742 PolarHBondContact O-N 3.21Å; I1740-E1743 PolarHBondContact O-N 2.7Å; I1740-K1744 HydrophobicContact CG2-CD 4.41Å; I1740-K1744 WeakPolarHBondContact O-CG 3.49Å; I1740-K1744 PolarHBondContact O-N 2.96Å; I1740-K1744 VanDerWaalsContact O-N 3.15Å; I1740-Q1835 HydrophobicContact CG1-CG 4.48Å
1741E47.9Very low59.5Low124 Ų12458.6 Ų58.658%0.57929%0.293SS*.Hα-helixtrans-64.9-37.9178.7-61.5-159.1156.300112.9F1715 N1739 K1744 F1745F1715-E1741 HydrophobicContact CD2-CB 4.42Å; N1739-E1741 PolarHBondContact O-N 3.1Å; N1739-E1741 VanDerWaalsContact O-N 3.16Å; E1741-K1744 PolarHBondContact O-N 2.81Å; E1741-F1745 PolarHBondContact O-N 3.47Å
1742L53.5Low59.5Low3 Ų362 Ų622%0.01631%0.308CS..Hα-helixtrans-69.7-42.6177.4-82.5163.6000111.1I1637 Y1639 I1708 F1715 N1739 I1740 K1744 F1745 L1746I1637-L1742 HydrophobicContact CD1-CD2 4.44Å; Y1639-L1742 HydrophobicContact CE1-CB 4.31Å; Y1639-L1742 HydrophobicContact CE1-CD1 4.12Å; Y1639-L1742 VanDerWaalsContact OH-CB 3.3Å; Y1639-L1742 WeakPolarHBondContact OH-CB 3.36Å; Y1639-L1742 WeakPolarHBondContact OH-CD1 3.32Å; I1708-L1742 HydrophobicContact CG2-CD1 4.22Å; F1715-L1742 HydrophobicContact CB-CD2 4.08Å; F1715-L1742 HydrophobicContact CD1-CD2 3.61Å; F1715-L1742 HydrophobicContact CD1-CG 4.26Å; F1715-L1742 HydrophobicContact CD2-CD1 4.42Å; F1715-L1742 HydrophobicContact CD2-CD2 3.71Å; F1715-L1742 HydrophobicContact CD2-CG 3.66Å; F1715-L1742 HydrophobicContact CE1-CD1 4.12Å; F1715-L1742 HydrophobicContact CE1-CD2 3.95Å; F1715-L1742 HydrophobicContact CE1-CG 4.22Å; F1715-L1742 HydrophobicContact CE2-CD1 3.92Å; F1715-L1742 HydrophobicContact CE2-CD2 4.05Å; F1715-L1742 HydrophobicContact CE2-CG 3.62Å; F1715-L1742 HydrophobicContact CG-CD2 3.48Å; F1715-L1742 VanDerWaalsContact CG-CD2 3.48Å; F1715-L1742 HydrophobicContact CG-CG 3.99Å; F1715-L1742 HydrophobicContact CZ-CD1 3.74Å; F1715-L1742 HydrophobicContact CZ-CD2 4.15Å; F1715-L1742 HydrophobicContact CZ-CG 3.9Å; N1739-L1742 HydrophobicContact CB-CB 4.15Å; N1739-L1742 HydrophobicContact CB-CD1 3.83Å; N1739-L1742 HydrophobicContact CB-CG 4.34Å; N1739-L1742 PolarHBondContact O-N 3.08Å; I1740-L1742 VanDerWaalsContact C-N 3.34Å; I1740-L1742 PolarHBondContact O-N 3.21Å; L1742-K1744 VanDerWaalsContact C-N 3.25Å; L1742-K1744 PolarHBondContact O-N 3.2Å; L1742-F1745 PolarHBondContact O-N 2.84Å; L1742-L1746 WeakPolarHBondContact O-CB 3.48Å; L1742-L1746 WeakPolarHBondContact O-CD1 3.39Å; L1742-L1746 PolarHBondContact O-N 3.25Å
1743E52.1Low59.3Low109 Ų10964.6 Ų64.651%0.50932%0.324SS..Hα-helixtrans-59-36.3175.9-67.6-176.3160.900112.4N1739 I1740N1739-E1743 PolarHBondContact O-N 2.65Å; I1740-E1743 PolarHBondContact O-N 2.7Å
1744K50.8Low59.4Low151 Ų15165 Ų6566%0.65733%0.325SS*.Hα-helixtrans-70.8-44.9173.4-70.4177.8179-179.80112.4I1740 E1741 L1742 L1746I1740-K1744 HydrophobicContact CG2-CD 4.41Å; I1740-K1744 WeakPolarHBondContact O-CG 3.49Å; I1740-K1744 PolarHBondContact O-N 2.96Å; I1740-K1744 VanDerWaalsContact O-N 3.15Å; E1741-K1744 PolarHBondContact O-N 2.81Å; L1742-K1744 VanDerWaalsContact C-N 3.25Å; L1742-K1744 PolarHBondContact O-N 3.2Å; K1744-L1746 VanDerWaalsContact C-N 3.3Å; K1744-L1746 PolarHBondContact O-N 3.21Å
1745F49.4Very low59.2Low58 Ų5869.2 Ų69.225%0.25435%0.348SS..Hα-helixtrans-70.8-22.5-177.5-105.3-79.4000114.9S1716 E1741 L1742 I1747S1716-F1745 VanDerWaalsContact CB-CE1 3.4Å; S1716-F1745 WeakPolarHBondContact OG-CE1 3.11Å; E1741-F1745 PolarHBondContact O-N 3.47Å; L1742-F1745 PolarHBondContact O-N 2.84Å; F1745-I1747 VanDerWaalsContact C-N 3.25Å; F1745-I1747 PolarHBondContact O-N 2.9Å
1746L54.7Low59.4Low24 Ų2469.3 Ų69.313%0.12635%0.348CS..THydrogen-bonded Turntrans-74.1-8.8-175.2-112133.2000115.3Y1639 L1742 K1744 I1751 V1753Y1639-L1746 HydrophobicContact CE2-CD1 3.98Å; Y1639-L1746 WeakPolarHBondContact OH-CD1 3.5Å; L1742-L1746 WeakPolarHBondContact O-CB 3.48Å; L1742-L1746 WeakPolarHBondContact O-CD1 3.39Å; L1742-L1746 PolarHBondContact O-N 3.25Å; K1744-L1746 VanDerWaalsContact C-N 3.3Å; K1744-L1746 PolarHBondContact O-N 3.21Å; L1746-I1751 HydrophobicContact CD2-CB 3.88Å; L1746-I1751 HydrophobicContact CD2-CG2 3.71Å; L1746-I1751 WeakPolarHBondContact CD2-O 3.48Å; L1746-I1751 HydrophobicContact CG-CB 4.14Å; L1746-I1751 HydrophobicContact CG-CG2 3.97Å; L1746-V1753 HydrophobicContact CD1-CG2 3.44Å; L1746-V1753 VanDerWaalsContact CD1-CG2 3.44Å; L1746-V1753 HydrophobicContact CD2-CB 4.2Å; L1746-V1753 HydrophobicContact CD2-CG2 3.46Å; L1746-V1753 VanDerWaalsContact CD2-CG2 3.46Å; L1746-V1753 HydrophobicContact CG-CG2 4Å
1747I51.8Low59.5Low149 Ų14969 Ų6976%0.76434%0.343SS*.THydrogen-bonded Turntrans-91.8-27.1-179.6-59177.3000111.5F1745F1745-I1747 VanDerWaalsContact C-N 3.25Å; F1745-I1747 PolarHBondContact O-N 2.9Å
1748E51.7Low59.8Low155 Ų15569.6 Ų69.672%0.72435%0.35SS*.THydrogen-bonded Turntrans-95.6-12.3-171.4-61.2-171.7154.800114.5
1749N51.3Low60.6Low59 Ų5972 Ų7232%0.31636%0.357SS..SBendtrans-127.8159.3177.5-69.2-87.4000110.3I1751N1749-I1751 HydrophobicContact CB-CD1 4.36Å; N1749-I1751 HydrophobicContact CB-CG1 4.19Å; N1749-I1751 PolarHBondContact O-N 3.5Å
1750Q60.4Low61.4Low166 Ų16670.5 Ų70.578%0.77635%0.349SS*.SBendtrans-74.549.7-177.1-63.4-179.2-600113.5
1751I65.2Low62.6Low18 Ų1871 Ų719%0.09235%0.352CS..EExtended strand (participates in β ladder)trans-99.2140.6175.3-51.3179.7000107I1635 I1637 F1719 L1746 N1749I1635-I1751 HydrophobicContact CB-CG1 4.17Å; I1635-I1751 HydrophobicContact CB-CG2 4.35Å; I1635-I1751 HydrophobicContact CD1-CG1 4.38Å; I1635-I1751 HydrophobicContact CG2-CB 4.45Å; I1635-I1751 HydrophobicContact CG2-CG1 4.11Å; I1635-I1751 HydrophobicContact CG2-CG2 3.88Å; I1635-I1751 WeakPolarHBondContact O-CA 3.39Å; I1637-I1751 HydrophobicContact CD1-CG2 3.91Å; I1637-I1751 HydrophobicContact CG1-CG2 4.08Å; F1719-I1751 HydrophobicContact CB-CD1 4.34Å; F1719-I1751 HydrophobicContact CD1-CD1 4.22Å; F1719-I1751 HydrophobicContact CD2-CD1 3.67Å; F1719-I1751 HydrophobicContact CE1-CD1 4.48Å; F1719-I1751 HydrophobicContact CE2-CD1 3.96Å; F1719-I1751 HydrophobicContact CG-CD1 3.82Å; F1719-I1751 HydrophobicContact CZ-CD1 4.37Å; L1746-I1751 HydrophobicContact CD2-CB 3.88Å; L1746-I1751 HydrophobicContact CD2-CG2 3.71Å; L1746-I1751 WeakPolarHBondContact CD2-O 3.48Å; L1746-I1751 HydrophobicContact CG-CB 4.14Å; L1746-I1751 HydrophobicContact CG-CG2 3.97Å; N1749-I1751 HydrophobicContact CB-CD1 4.36Å; N1749-I1751 HydrophobicContact CB-CG1 4.19Å; N1749-I1751 PolarHBondContact O-N 3.5Å
1752K71.1Confident63.9Low78 Ų7868.4 Ų68.434%0.33934%0.342SS..EExtended strand (participates in β ladder)trans-118.1125174.8-170.9163166.5-150.60112.2T1629 N1633 I1635 V1636 I1637T1629-K1752 HydrophobicContact CG2-CB 4.43Å; T1629-K1752 HydrophobicContact CG2-CD 3.66Å; T1629-K1752 HydrophobicContact CG2-CG 3.93Å; T1629-K1752 PolarHBondContact OG1-NZ 3.06Å; N1633-K1752 HydrophobicContact CB-CB 4.46Å; I1635-K1752 PolarHBondContact O-N 3.03Å; V1636-K1752 WeakPolarHBondContact CA-O 3.08Å; V1636-K1752 HydrophobicContact CG2-CB 4.47Å; I1637-K1752 PolarHBondContact N-O 2.83Å
1753V73.6Confident65Low54 Ų5468.2 Ų68.233%0.32734%0.341SS..EExtended strand (participates in β ladder)trans-70.3133.7167.5159.10000109.5I1637 Y1639 L1746 N1755I1637-V1753 WeakPolarHBondContact O-CA 3.41Å; Y1639-V1753 HydrophobicContact CD2-CB 4.24Å; Y1639-V1753 HydrophobicContact CD2-CG1 3.96Å; Y1639-V1753 HydrophobicContact CD2-CG2 3.66Å; Y1639-V1753 HydrophobicContact CE2-CB 4.38Å; Y1639-V1753 HydrophobicContact CE2-CG2 3.42Å; Y1639-V1753 VanDerWaalsContact CE2-CG2 3.42Å; L1746-V1753 HydrophobicContact CD1-CG2 3.44Å; L1746-V1753 VanDerWaalsContact CD1-CG2 3.44Å; L1746-V1753 HydrophobicContact CD2-CB 4.2Å; L1746-V1753 HydrophobicContact CD2-CG2 3.46Å; L1746-V1753 VanDerWaalsContact CD2-CG2 3.46Å; L1746-V1753 HydrophobicContact CG-CG2 4Å; V1753-N1755 WeakPolarHBondContact CG1-OD1 3.42Å
1754I77.6Confident66.3Low8 Ų865.6 Ų65.64%0.04133%0.328CS..EExtended strand (participates in β ladder)trans-107.3120.4153.6-68.1175.4000107Y1626 T1629 I1630 V1636 I1637 I1638 Y1639Y1626-I1754 HydrophobicContact CD1-CD1 4.04Å; Y1626-I1754 HydrophobicContact CD1-CG1 4.42Å; Y1626-I1754 HydrophobicContact CD1-CG2 3.51Å; Y1626-I1754 HydrophobicContact CD2-CG2 4.2Å; Y1626-I1754 HydrophobicContact CE1-CG2 3.24Å; Y1626-I1754 HydrophobicContact CE2-CG2 3.96Å; Y1626-I1754 HydrophobicContact CG-CD1 4.02Å; Y1626-I1754 HydrophobicContact CG-CG2 3.99Å; Y1626-I1754 VanDerWaalsContact CZ-CG2 3.47Å; T1629-I1754 HydrophobicContact CG2-CD1 3.73Å; T1629-I1754 HydrophobicContact CG2-CG1 3.68Å; I1630-I1754 HydrophobicContact CD1-CD1 4.47Å; I1630-I1754 HydrophobicContact CG1-CD1 4.29Å; V1636-I1754 HydrophobicContact CG1-CD1 3.58Å; V1636-I1754 HydrophobicContact CG1-CG1 3.83Å; I1637-I1754 PolarHBondContact O-N 2.9Å; I1638-I1754 CarbonylContact C-O 3.54Å; I1638-I1754 WeakPolarHBondContact CA-O 2.91Å; I1638-I1754 HydrophobicContact CG1-CB 4.26Å; I1638-I1754 HydrophobicContact CG1-CD1 4.38Å; I1638-I1754 HydrophobicContact CG2-CG2 4.24Å; Y1639-I1754 PolarHBondContact N-O 2.9Å
1755N74.7Confident67.8Low92 Ų9260.8 Ų60.849%0.49231%0.308SS..EExtended strand (participates in β ladder)trans-83.5123.8165.8-77.3-9.8000109Y1626 V1753 S1758Y1626-N1755 PolarHBondContact OH-O 3.47Å; Y1626-N1755 VanDerWaalsContact OH-O 3.06Å; V1753-N1755 WeakPolarHBondContact CG1-OD1 3.42Å; N1755-S1758 WeakPolarHBondContact CB-OG 3.27Å
1756H75.5Confident69.5Low1 Ų159.4 Ų59.41%0.00530%0.301CS..  trans-115113.3-175.7172.678.1000110.7Y1626 I1638 Y1639 T1644 K1646 S1758Y1626-H1756 AromaticContact CE2-ND1 3.71Å; Y1626-H1756 WeakPolarHBondContact OH-CA 3.49Å; I1638-H1756 HydrophobicContact CG2-CB 3.48Å; I1638-H1756 VanDerWaalsContact CG2-CB 3.48Å; Y1639-H1756 WeakPolarHBondContact O-CB 3.5Å; Y1639-H1756 PolarHBondContact O-N 3.39Å; T1644-H1756 PolarHBondContact O-NE2 3.04Å; K1646-H1756 HydrophobicContact CD-CB 4.44Å; K1646-H1756 HydrophobicContact CG-CB 4.4Å; K1646-H1756 VanDerWaalsContact CG-CD2 3.41Å; K1646-H1756 WeakPolarHBondContact CG-CD2 3.19Å; H1756-S1758 PolarHBondContact O-N 3.45Å
1757L70.4Confident70.9Confident7 Ų758.2 Ų58.24%0.03730%0.295CS..SBendtrans5152.3-175.5-54178000111.8T1644 D1762 A1763 Y1766 I1838T1644-L1757 HydrophobicContact CG2-CD1 4.44Å; L1757-D1762 HydrophobicContact CD2-CB 3.89Å; L1757-A1763 HydrophobicContact CB-CB 4.34Å; L1757-Y1766 HydrophobicContact CD1-CD1 3.96Å; L1757-Y1766 HydrophobicContact CD1-CD2 3.63Å; L1757-Y1766 HydrophobicContact CD1-CE1 4.43Å; L1757-Y1766 HydrophobicContact CD1-CE2 4.1Å; L1757-Y1766 HydrophobicContact CD1-CG 3.55Å; L1757-I1838 VanDerWaalsContact O-CD1 3.22Å; L1757-I1838 WeakPolarHBondContact O-CD1 3.44Å
1758S66.3Low72.5Confident55 Ų5553.4 Ų53.439%0.38527%0.269SS..  trans-93.9-16.1177.461.20000114N1755 H1756N1755-S1758 WeakPolarHBondContact CB-OG 3.27Å; H1756-S1758 PolarHBondContact O-N 3.45Å
1759D70.3Confident74.1Confident72 Ų7246.4 Ų46.439%0.38524%0.236SC..SBendtrans-84.5143.1168.5-161.9-54.9000109N1761 D1762 A1763D1759-N1761 PolarHBondContact O-N 3.47Å; D1759-N1761 WeakPolarHBondContact OD1-CB 3.37Å; D1759-N1761 PolarHBondContact OD1-N 3.22Å; D1759-N1761 PolarHBondContact OD1-ND2 3.14Å; D1759-D1762 HydrophobicContact CB-CB 4.23Å; D1759-A1763 VanDerWaalsContact O-CB 3.29Å; D1759-A1763 WeakPolarHBondContact O-CB 3.43Å; D1759-A1763 PolarHBondContact O-N 3.18Å
1760I70.7Confident75.6Confident18 Ų1844.2 Ų44.29%0.09223%0.226CC..Hα-helixtrans-58.1-39173.7-33.3179.6000109.9A1763 K1764 W1820 N1824 E1825 Y1828I1760-A1763 PolarHBondContact O-N 3.06Å; I1760-K1764 WeakPolarHBondContact O-CB 3.49Å; I1760-K1764 PolarHBondContact O-N 3.42Å; I1760-W1820 HydrophobicContact CG2-CH2 4.35Å; I1760-W1820 HydrophobicContact CG2-CZ3 3.87Å; I1760-N1824 HydrophobicContact CG2-CB 4.33Å; I1760-E1825 VanDerWaalsContact CD1-OE1 3.31Å; I1760-E1825 WeakPolarHBondContact CD1-OE1 3.43Å; I1760-Y1828 HydrophobicContact CD1-CD2 3.59Å; I1760-Y1828 HydrophobicContact CD1-CE2 3.18Å; I1760-Y1828 HydrophobicContact CG1-CD2 4.32Å; I1760-Y1828 HydrophobicContact CG1-CE2 3.42Å; I1760-Y1828 VanDerWaalsContact CG1-CE2 3.42Å
1761N74.6Confident76.8Confident90 Ų9036.3 Ų36.348%0.48119%0.189SC..Hα-helixtrans-72.5-48.8-173.4-59.3-72.9000111.3D1759 A1763 K1764 E1765D1759-N1761 PolarHBondContact O-N 3.47Å; D1759-N1761 WeakPolarHBondContact OD1-CB 3.37Å; D1759-N1761 PolarHBondContact OD1-N 3.22Å; D1759-N1761 PolarHBondContact OD1-ND2 3.14Å; N1761-A1763 VanDerWaalsContact C-N 3.25Å; N1761-A1763 PolarHBondContact O-N 2.91Å; N1761-K1764 WeakPolarHBondContact O-CB 3.18Å; N1761-K1764 PolarHBondContact O-N 2.93Å; N1761-K1764 VanDerWaalsContact O-N 3.15Å; N1761-E1765 WeakPolarHBondContact O-CG 3.49Å; N1761-E1765 PolarHBondContact O-N 2.84Å
1762D75.5Confident77.8Confident69 Ų6936 Ų3637%0.36919%0.188SC..Hα-helixtrans-53.6-45.1172.4-71.2-3.7000111.5L1757 D1759 Y1766L1757-D1762 HydrophobicContact CD2-CB 3.89Å; D1759-D1762 HydrophobicContact CB-CB 4.23Å; D1762-Y1766 VanDerWaalsContact O-CB 3.31Å; D1762-Y1766 WeakPolarHBondContact O-CB 3.28Å; D1762-Y1766 PolarHBondContact O-N 3.2Å
1763A77.5Confident78.5Confident0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-70.6-34.8-179.700000112.9L1757 D1759 I1760 N1761 L1767 W1820 I1841L1757-A1763 HydrophobicContact CB-CB 4.34Å; D1759-A1763 VanDerWaalsContact O-CB 3.29Å; D1759-A1763 WeakPolarHBondContact O-CB 3.43Å; D1759-A1763 PolarHBondContact O-N 3.18Å; I1760-A1763 PolarHBondContact O-N 3.06Å; N1761-A1763 VanDerWaalsContact C-N 3.25Å; N1761-A1763 PolarHBondContact O-N 2.91Å; A1763-L1767 WeakPolarHBondContact O-CB 3.19Å; A1763-L1767 PolarHBondContact O-N 2.72Å; A1763-W1820 HydrophobicContact CB-CH2 3.42Å; A1763-W1820 VanDerWaalsContact CB-CH2 3.42Å; A1763-W1820 HydrophobicContact CB-CZ2 4.22Å; A1763-W1820 HydrophobicContact CB-CZ3 4.1Å; A1763-I1841 HydrophobicContact CB-CD1 3.83Å
1764K79.9Confident78.8Confident53 Ų5333.3 Ų33.323%0.2317%0.171CC..Hα-helixtrans-61.7-53.2172.6-175.2-165.4-174.4-173.80110.8I1760 N1761 Y1766 L1767 E1768 T1817 W1820 N1821I1760-K1764 WeakPolarHBondContact O-CB 3.49Å; I1760-K1764 PolarHBondContact O-N 3.42Å; N1761-K1764 WeakPolarHBondContact O-CB 3.18Å; N1761-K1764 PolarHBondContact O-N 2.93Å; N1761-K1764 VanDerWaalsContact O-N 3.15Å; K1764-Y1766 VanDerWaalsContact C-N 3.3Å; K1764-Y1766 PolarHBondContact O-N 3.36Å; K1764-L1767 WeakPolarHBondContact O-CB 3.32Å; K1764-L1767 PolarHBondContact O-N 3.19Å; K1764-L1767 VanDerWaalsContact O-N 3.11Å; K1764-E1768 PolarHBondContact O-N 2.73Å; K1764-T1817 HydrophobicContact CD-CG2 4.13Å; K1764-T1817 HydrophobicContact CG-CG2 3.33Å; K1764-W1820 HydrophobicContact CB-CZ3 4.25Å; K1764-N1821 VanDerWaalsContact CB-OD1 3.29Å; K1764-N1821 WeakPolarHBondContact CB-OD1 3.26Å; K1764-N1821 WeakPolarHBondContact CD-OD1 3.3Å; K1764-N1821 WeakPolarHBondContact CG-OD1 3.32Å
1765E82.5Confident79.1Confident50 Ų5032.9 Ų32.923%0.23417%0.169CC..Hα-helixtrans-65.2-35.9-179.5-63.6176.5173.800111.6Q1490 N1761 E1768 R1769Q1490-E1765 VanDerWaalsContact NE2-CD 3.29Å; Q1490-E1765 PolarHBondContact NE2-OE1 3.44Å; Q1490-E1765 PolarHBondContact OE1-OE1 3.49Å; Q1490-E1765 PolarHBondContact OE1-OE2 3.07Å; N1761-E1765 WeakPolarHBondContact O-CG 3.49Å; N1761-E1765 PolarHBondContact O-N 2.84Å; E1765-E1768 PolarHBondContact O-N 2.92Å; E1765-R1769 WeakPolarHBondContact O-CB 3.39Å; E1765-R1769 VanDerWaalsContact O-CG 3.29Å; E1765-R1769 WeakPolarHBondContact O-CG 3.39Å; E1765-R1769 PolarHBondContact O-N 3.04Å; E1765-R1769 PolarHBondContact O-NE 3.08Å; E1765-R1769 IonicContact OE2-CZ 2.88Å; E1765-R1769 IonicContact OE2-NH1 2.78Å; E1765-R1769 IonicContact OE2-NH2 3.23Å; E1765-R1769 PolarHBondContact OE2-NH2 3.13Å
1766Y83.9Confident79.3Confident29 Ų2928.6 Ų28.611%0.11415%0.146CC..Hα-helixtrans-60.9-43.2171176.8-85000111.8S1616 I1618 L1757 D1762 K1764 S1770 I1841S1616-Y1766 VanDerWaalsContact O-CE2 3.31Å; S1616-Y1766 WeakPolarHBondContact O-CE2 3.48Å; I1618-Y1766 HydrophobicContact CG1-CD2 4.41Å; I1618-Y1766 HydrophobicContact CG1-CE2 4.33Å; L1757-Y1766 HydrophobicContact CD1-CD1 3.96Å; L1757-Y1766 HydrophobicContact CD1-CD2 3.63Å; L1757-Y1766 HydrophobicContact CD1-CE1 4.43Å; L1757-Y1766 HydrophobicContact CD1-CE2 4.1Å; L1757-Y1766 HydrophobicContact CD1-CG 3.55Å; D1762-Y1766 VanDerWaalsContact O-CB 3.31Å; D1762-Y1766 WeakPolarHBondContact O-CB 3.28Å; D1762-Y1766 PolarHBondContact O-N 3.2Å; K1764-Y1766 VanDerWaalsContact C-N 3.3Å; K1764-Y1766 PolarHBondContact O-N 3.36Å; Y1766-S1770 VanDerWaalsContact O-CB 3.23Å; Y1766-S1770 WeakPolarHBondContact O-CB 3.24Å; Y1766-S1770 PolarHBondContact O-N 3.25Å; Y1766-S1770 PolarHBondContact O-OG 3.3Å; Y1766-I1841 HydrophobicContact CD1-CD1 4.09Å; Y1766-I1841 HydrophobicContact CD1-CG2 4.48Å
1767L84.6Confident79.4Confident0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-63.1-46.5175175.359000111.2A1763 K1764 S1770 L1771 W1820 I1841 F1844 L1845A1763-L1767 WeakPolarHBondContact O-CB 3.19Å; A1763-L1767 PolarHBondContact O-N 2.72Å; K1764-L1767 WeakPolarHBondContact O-CB 3.32Å; K1764-L1767 PolarHBondContact O-N 3.19Å; K1764-L1767 VanDerWaalsContact O-N 3.11Å; L1767-S1770 PolarHBondContact O-N 3.4Å; L1767-L1771 HydrophobicContact CD1-CD1 3.76Å; L1767-L1771 HydrophobicContact CD1-CD2 4.46Å; L1767-L1771 HydrophobicContact CD1-CG 3.85Å; L1767-L1771 HydrophobicContact CG-CD1 4.02Å; L1767-L1771 HydrophobicContact CG-CG 4.45Å; L1767-L1771 WeakPolarHBondContact O-CB 3.44Å; L1767-L1771 WeakPolarHBondContact O-CG 3.39Å; L1767-L1771 PolarHBondContact O-N 2.97Å; L1767-W1820 HydrophobicContact CD2-CB 3.81Å; L1767-W1820 HydrophobicContact CD2-CD2 3.97Å; L1767-W1820 HydrophobicContact CD2-CE3 4.39Å; L1767-W1820 HydrophobicContact CD2-CG 3.71Å; L1767-I1841 HydrophobicContact CB-CG2 3.92Å; L1767-I1841 HydrophobicContact CD1-CG2 3.75Å; L1767-I1841 HydrophobicContact CD2-CG2 4.49Å; L1767-I1841 HydrophobicContact CG-CG2 4.25Å; L1767-F1844 HydrophobicContact CD1-CB 3.92Å; L1767-F1844 HydrophobicContact CD2-CB 4.33Å; L1767-L1845 HydrophobicContact CD1-CD2 3.83Å; L1767-L1845 HydrophobicContact CD1-CG 4.48Å
1768E85.8Confident79.6Confident47 Ų4731.2 Ų31.222%0.2216%0.157CC..Hα-helixtrans-60.2-52.5178.3-166.7171.8166.700111.3K1764 E1765 S1770 L1771 N1772 T1817K1764-E1768 PolarHBondContact O-N 2.73Å; E1765-E1768 PolarHBondContact O-N 2.92Å; E1768-S1770 VanDerWaalsContact C-N 3.25Å; E1768-S1770 PolarHBondContact O-N 2.73Å; E1768-L1771 PolarHBondContact O-N 2.61Å; E1768-N1772 WeakPolarHBondContact O-CB 3.29Å; E1768-N1772 PolarHBondContact O-N 3.13Å; E1768-N1772 PolarHBondContact O-ND2 2.94Å; E1768-T1817 HydrophobicContact CB-CG2 4.09Å
1769R85.3Confident79.8Confident8 Ų829 Ų293%0.0314%0.14CC..Hα-helixtrans-54.3-41.4174.8-74.2-175.5-85.7-101.5-3.9111.9D1486 L1617 E1765 R1773D1486-R1769 HydrophobicContact CB-CG 4.48Å; D1486-R1769 IonicContact OD2-NH1 2.75Å; L1617-R1769 HydrophobicContact CB-CB 4.24Å; L1617-R1769 HydrophobicContact CD1-CB 4.23Å; L1617-R1769 HydrophobicContact CD2-CB 4.45Å; L1617-R1769 PolarHBondContact O-NE 3.06Å; E1765-R1769 WeakPolarHBondContact O-CB 3.39Å; E1765-R1769 VanDerWaalsContact O-CG 3.29Å; E1765-R1769 WeakPolarHBondContact O-CG 3.39Å; E1765-R1769 PolarHBondContact O-N 3.04Å; E1765-R1769 PolarHBondContact O-NE 3.08Å; E1765-R1769 IonicContact OE2-CZ 2.88Å; E1765-R1769 IonicContact OE2-NH1 2.78Å; E1765-R1769 IonicContact OE2-NH2 3.23Å; E1765-R1769 PolarHBondContact OE2-NH2 3.13Å; R1769-R1773 PolarHBondContact O-N 3.2Å; R1769-R1773 VanDerWaalsContact O-N 3.11Å
1770S82.6Confident79.7Confident13 Ų1325.7 Ų25.79%0.09112%0.122CC..Hα-helixtrans-71.5-38.8-178.9-61.40000113.1Y1766 L1767 E1768 K1774 L1845Y1766-S1770 VanDerWaalsContact O-CB 3.23Å; Y1766-S1770 WeakPolarHBondContact O-CB 3.24Å; Y1766-S1770 PolarHBondContact O-N 3.25Å; Y1766-S1770 PolarHBondContact O-OG 3.3Å; L1767-S1770 PolarHBondContact O-N 3.4Å; E1768-S1770 VanDerWaalsContact C-N 3.25Å; E1768-S1770 PolarHBondContact O-N 2.73Å; S1770-K1774 PolarHBondContact O-N 3.14Å; S1770-L1845 VanDerWaalsContact CB-CD2 3.44Å
1771L86.1Confident79.5Confident0 Ų028.3 Ų28.30%013%0.133CC..Hα-helixtrans-71.2-39.6174.7-70.6176.9000111.3L1767 E1768 R1773 K1774 L1775 V1813 L1816 M1849L1767-L1771 HydrophobicContact CD1-CD1 3.76Å; L1767-L1771 HydrophobicContact CD1-CD2 4.46Å; L1767-L1771 HydrophobicContact CD1-CG 3.85Å; L1767-L1771 HydrophobicContact CG-CD1 4.02Å; L1767-L1771 HydrophobicContact CG-CG 4.45Å; L1767-L1771 WeakPolarHBondContact O-CB 3.44Å; L1767-L1771 WeakPolarHBondContact O-CG 3.39Å; L1767-L1771 PolarHBondContact O-N 2.97Å; E1768-L1771 PolarHBondContact O-N 2.61Å; L1771-R1773 VanDerWaalsContact C-N 3.29Å; L1771-R1773 PolarHBondContact O-N 3.29Å; L1771-K1774 PolarHBondContact O-N 2.96Å; L1771-K1774 VanDerWaalsContact O-N 3.09Å; L1771-L1775 WeakPolarHBondContact O-CB 3.35Å; L1771-L1775 PolarHBondContact O-N 3.34Å; L1771-V1813 HydrophobicContact CB-CB 4.42Å; L1771-V1813 HydrophobicContact CB-CG1 3.55Å; L1771-V1813 HydrophobicContact CB-CG2 4.05Å; L1771-V1813 HydrophobicContact CD1-CG1 4.12Å; L1771-L1816 HydrophobicContact CD1-CB 4.43Å; L1771-M1849 HydrophobicContact CD2-CE 3.95Å
1772N86Confident78.8Confident13 Ų1326.9 Ų26.97%0.0713%0.126CC..Hα-helixtrans-57.6-40.9173.2-70.8-15000111.5F1484 L1485 E1768 K1774 L1775 I1776 V1813F1484-N1772 HydrophobicContact CD1-CB 4.33Å; F1484-N1772 HydrophobicContact CE1-CB 4.09Å; L1485-N1772 HydrophobicContact CD2-CB 4.41Å; L1485-N1772 PolarHBondContact O-ND2 3.49Å; E1768-N1772 WeakPolarHBondContact O-CB 3.29Å; E1768-N1772 PolarHBondContact O-N 3.13Å; E1768-N1772 PolarHBondContact O-ND2 2.94Å; N1772-K1774 PolarHBondContact O-N 3.33Å; N1772-L1775 PolarHBondContact O-N 3.25Å; N1772-I1776 WeakPolarHBondContact O-CG1 3.45Å; N1772-I1776 PolarHBondContact O-N 2.81Å; N1772-V1813 WeakPolarHBondContact OD1-CG1 3.26Å
1773R84.3Confident77.9Confident16 Ų1625.3 Ų25.36%0.0612%0.116CC..Hα-helixtrans-58.9-46.4173177.4164.2-78.4165.2-1112.2Y1481 L1485 F1614 G1615 L1617 R1769 L1771 I1776 Q1777Y1481-R1773 PolarHBondContact OH-NE 2.71Å; L1485-R1773 VanDerWaalsContact CD2-CA 3.48Å; L1485-R1773 HydrophobicContact CD2-CB 3.6Å; L1485-R1773 HydrophobicContact CD2-CG 4.46Å; F1614-R1773 PolarHBondContact O-NH1 2.85Å; F1614-R1773 PolarHBondContact O-NH2 2.84Å; G1615-R1773 PolarHBondContact O-NH1 2.88Å; L1617-R1773 HydrophobicContact CD1-CB 4.42Å; R1769-R1773 PolarHBondContact O-N 3.2Å; R1769-R1773 VanDerWaalsContact O-N 3.11Å; L1771-R1773 VanDerWaalsContact C-N 3.29Å; L1771-R1773 PolarHBondContact O-N 3.29Å; R1773-I1776 PolarHBondContact O-N 3.49Å; R1773-Q1777 WeakPolarHBondContact O-CG 3.47Å; R1773-Q1777 PolarHBondContact O-N 2.94Å
1774K81.6Confident76.6Confident58 Ų5828 Ų2825%0.25213%0.128SC..Hα-helixtrans-66.7-36.4178.1-69.2-162.6169.9-162.10112.6S1770 L1771 N1772 Q1777 Y1778 L1845 M1849S1770-K1774 PolarHBondContact O-N 3.14Å; L1771-K1774 PolarHBondContact O-N 2.96Å; L1771-K1774 VanDerWaalsContact O-N 3.09Å; N1772-K1774 PolarHBondContact O-N 3.33Å; K1774-Q1777 PolarHBondContact O-N 3.35Å; K1774-Y1778 WeakPolarHBondContact O-CB 3.45Å; K1774-Y1778 PolarHBondContact O-N 2.72Å; K1774-L1845 PolarHBondContact NZ-O 3.07Å; K1774-M1849 HydrophobicContact CB-CG 3.73Å; K1774-M1849 HydrophobicContact CB-SD 4.12Å
1775L83.2Confident74.9Confident0 Ų030.4 Ų30.40%014%0.136CC..Hα-helixtrans-64.1-44.9176.6-17954.9000111.8L1395 F1484 L1771 N1772 R1779 L1809 V1813 M1849L1395-L1775 HydrophobicContact CD1-CD1 4.43Å; L1395-L1775 HydrophobicContact CD1-CD2 4.22Å; L1395-L1775 HydrophobicContact CD1-CG 4.14Å; F1484-L1775 HydrophobicContact CZ-CD2 4.42Å; L1771-L1775 WeakPolarHBondContact O-CB 3.35Å; L1771-L1775 PolarHBondContact O-N 3.34Å; N1772-L1775 PolarHBondContact O-N 3.25Å; L1775-R1779 PolarHBondContact O-N 3.4Å; L1775-R1779 VanDerWaalsContact O-N 3.07Å; L1775-L1809 HydrophobicContact CD1-CB 3.68Å; L1775-L1809 HydrophobicContact CD1-CD1 3.94Å; L1775-L1809 HydrophobicContact CD1-CG 4.34Å; L1775-V1813 HydrophobicContact CD2-CG2 4.25Å; L1775-M1849 HydrophobicContact CB-SD 4.2Å
1776I78.7Confident73.2Confident1 Ų130.3 Ų30.31%0.00514%0.141CC..Hα-helixtrans-59.7-49.8172.5-64.3159.2000110.6L1395 L1398 Y1481 F1484 L1485 N1772 R1773 Y1778 R1779 L1780L1395-I1776 HydrophobicContact CD2-CG1 4.42Å; L1398-I1776 HydrophobicContact CD2-CD1 4.33Å; L1398-I1776 HydrophobicContact CD2-CG1 4.27Å; L1398-I1776 HydrophobicContact CD2-CG2 4.03Å; Y1481-I1776 HydrophobicContact CD2-CD1 3.91Å; Y1481-I1776 HydrophobicContact CD2-CG2 4.01Å; Y1481-I1776 HydrophobicContact CE2-CB 4.39Å; Y1481-I1776 HydrophobicContact CE2-CD1 3.78Å; Y1481-I1776 HydrophobicContact CE2-CG2 3.79Å; F1484-I1776 HydrophobicContact CB-CD1 4.23Å; F1484-I1776 HydrophobicContact CD1-CD1 3.4Å; F1484-I1776 VanDerWaalsContact CD1-CD1 3.4Å; F1484-I1776 HydrophobicContact CD1-CG1 3.49Å; F1484-I1776 VanDerWaalsContact CD1-CG1 3.49Å; F1484-I1776 HydrophobicContact CE1-CD1 4.15Å; F1484-I1776 HydrophobicContact CE1-CG1 3.8Å; F1484-I1776 HydrophobicContact CG-CD1 4.09Å; F1484-I1776 HydrophobicContact CG-CG1 4.21Å; L1485-I1776 HydrophobicContact CD2-CD1 3.86Å; L1485-I1776 HydrophobicContact CG-CD1 4.2Å; N1772-I1776 WeakPolarHBondContact O-CG1 3.45Å; N1772-I1776 PolarHBondContact O-N 2.81Å; R1773-I1776 PolarHBondContact O-N 3.49Å; I1776-Y1778 PolarHBondContact O-N 2.97Å; I1776-R1779 PolarHBondContact O-N 3.23Å; I1776-L1780 HydrophobicContact CG2-CD1 3.49Å; I1776-L1780 VanDerWaalsContact CG2-CD1 3.49Å; I1776-L1780 HydrophobicContact CG2-CG 3.98Å; I1776-L1780 WeakPolarHBondContact O-CB 3.45Å; I1776-L1780 VanDerWaalsContact O-CG 3.31Å; I1776-L1780 WeakPolarHBondContact O-CG 3.44Å; I1776-L1780 PolarHBondContact O-N 2.92Å
1777Q77.7Confident71.4Confident31 Ų3132.3 Ų32.315%0.14516%0.159CC..Hα-helixtrans-55.9-50.1-179.6-74.9169.6-34.100111.5R1773 K1774 R1779 L1780 F1781R1773-Q1777 WeakPolarHBondContact O-CG 3.47Å; R1773-Q1777 PolarHBondContact O-N 2.94Å; K1774-Q1777 PolarHBondContact O-N 3.35Å; Q1777-R1779 PolarHBondContact O-N 2.99Å; Q1777-L1780 PolarHBondContact O-N 3.14Å; Q1777-F1781 WeakPolarHBondContact O-CD2 3.44Å; Q1777-F1781 PolarHBondContact O-N 2.94Å
1778Y75Confident69.5Low32 Ų3237.8 Ų37.813%0.12519%0.185CC..Hα-helixtrans-55.5-50.1177173.9-99000111.9K1774 I1776 L1780 F1781 N1782 L1809 M1849 H1850K1774-Y1778 WeakPolarHBondContact O-CB 3.45Å; K1774-Y1778 PolarHBondContact O-N 2.72Å; I1776-Y1778 PolarHBondContact O-N 2.97Å; Y1778-L1780 PolarHBondContact O-N 2.86Å; Y1778-F1781 PolarHBondContact O-N 3.01Å; Y1778-N1782 WeakPolarHBondContact O-CB 3.45Å; Y1778-N1782 PolarHBondContact O-N 3Å; Y1778-L1809 HydrophobicContact CD1-CD1 4.26Å; Y1778-L1809 HydrophobicContact CE1-CD1 4.02Å; Y1778-M1849 HydrophobicContact CD1-CB 4.36Å; Y1778-M1849 WeakPolarHBondContact CD1-O 3.35Å; Y1778-M1849 HydrophobicContact CD2-CB 4.33Å; Y1778-M1849 WeakPolarHBondContact CE1-O 3.35Å; Y1778-M1849 HydrophobicContact CG-CB 3.88Å; Y1778-H1850 HydrophobicContact CE2-CB 4.22Å; Y1778-H1850 PolarHBondContact OH-CD2 2.91Å; Y1778-H1850 VanDerWaalsContact OH-CD2 3.3Å
1779R69.4Low67.1Low9 Ų937.4 Ų37.43%0.03419%0.193CC..Hα-helixtrans-57.1-50178.1-174.1-168.4177.693.59.2112L1395 Y1396 S1399 L1775 I1776 Q1777 F1781 N1782 E1783 D1806L1395-R1779 PolarHBondContact O-NE 3.24Å; L1395-R1779 VanDerWaalsContact O-NE 3.13Å; Y1396-R1779 VanDerWaalsContact CE2-NH2 3.28Å; S1399-R1779 PolarHBondContact OG-NE 3.41Å; S1399-R1779 VanDerWaalsContact OG-NE 3.08Å; S1399-R1779 PolarHBondContact OG-NH2 3.1Å; L1775-R1779 PolarHBondContact O-N 3.4Å; L1775-R1779 VanDerWaalsContact O-N 3.07Å; I1776-R1779 PolarHBondContact O-N 3.23Å; Q1777-R1779 PolarHBondContact O-N 2.99Å; R1779-F1781 PolarHBondContact O-N 3.34Å; R1779-N1782 PolarHBondContact O-N 3.38Å; R1779-E1783 HydrophobicContact CG-CG 4.34Å; R1779-E1783 IonicContact CZ-OE1 2.86Å; R1779-E1783 VanDerWaalsContact CZ-OE1 3.27Å; R1779-E1783 IonicContact NE-OE1 3.93Å; R1779-E1783 PolarHBondContact NE-OE1 3.28Å; R1779-E1783 VanDerWaalsContact NE-OE1 3.13Å; R1779-E1783 IonicContact NE-OE2 2.87Å; R1779-E1783 IonicContact NH2-OE1 2.56Å; R1779-E1783 PolarHBondContact NH2-OE1 3.18Å; R1779-E1783 PolarHBondContact O-N 3.24Å; R1779-D1806 IonicContact CZ-OD1 2.81Å; R1779-D1806 IonicContact CZ-OD2 3.8Å; R1779-D1806 IonicContact NH1-OD1 2.71Å; R1779-D1806 PolarHBondContact NH1-OD1 3.37Å; R1779-D1806 IonicContact NH1-OD2 2.68Å; R1779-D1806 PolarHBondContact NH1-OD2 3.07Å; R1779-D1806 IonicContact NH2-OD2 2.76Å
1780L68.7Low64.9Low3 Ų343 Ų432%0.01622%0.218CC..Hα-helixtrans-68.5-18.5-176.9-67.1178.5000113.9K1455 I1456 I1776 Q1777 Y1778K1455-L1780 HydrophobicContact CD-CB 4.01Å; K1455-L1780 HydrophobicContact CG-CB 4.42Å; K1455-L1780 HydrophobicContact CG-CD1 4.25Å; K1455-L1780 PolarHBondContact NZ-O 3.37Å; I1456-L1780 WeakPolarHBondContact O-CD1 3.33Å; I1776-L1780 HydrophobicContact CG2-CD1 3.49Å; I1776-L1780 VanDerWaalsContact CG2-CD1 3.49Å; I1776-L1780 HydrophobicContact CG2-CG 3.98Å; I1776-L1780 WeakPolarHBondContact O-CB 3.45Å; I1776-L1780 VanDerWaalsContact O-CG 3.31Å; I1776-L1780 WeakPolarHBondContact O-CG 3.44Å; I1776-L1780 PolarHBondContact O-N 2.92Å; Q1777-L1780 PolarHBondContact O-N 3.14Å; Y1778-L1780 PolarHBondContact O-N 2.86Å
1781F65.9Low62.7Low73 Ų7345.9 Ų45.932%0.3223%0.232SC..Hα-helixtrans-85.2-38.4166.3-77.1-63.7000112.1Q1777 Y1778 R1779 F1784 Y1785Q1777-F1781 WeakPolarHBondContact O-CD2 3.44Å; Q1777-F1781 PolarHBondContact O-N 2.94Å; Y1778-F1781 PolarHBondContact O-N 3.01Å; R1779-F1781 PolarHBondContact O-N 3.34Å; F1781-F1784 WeakPolarHBondContact O-CB 3.28Å; F1781-F1784 PolarHBondContact O-N 3.07Å; F1781-Y1785 WeakPolarHBondContact O-CD2 3.44Å
1782N60.1Low60.2Low60 Ų6053.7 Ų53.732%0.32127%0.269SS..Hα-helixtrans-68.8-42.8-177.6-148.225.5000112.4Y1778 R1779 F1784 Y1785 S1786Y1778-N1782 WeakPolarHBondContact O-CB 3.45Å; Y1778-N1782 PolarHBondContact O-N 3Å; R1779-N1782 PolarHBondContact O-N 3.38Å; N1782-F1784 PolarHBondContact O-N 3.29Å; N1782-Y1785 PolarHBondContact O-N 3.01Å; N1782-S1786 PolarHBondContact O-N 3.01Å
1783E56.8Low58.1Low36 Ų3661 Ų6117%0.16831%0.308CS..Hα-helixtrans-65.5-24.6177.4-72.4177.7141.400113.8S1399 R1779 Y1785 S1786 S1787S1399-E1783 WeakPolarHBondContact CB-OE1 3.39Å; S1399-E1783 WeakPolarHBondContact CB-OE2 3.41Å; S1399-E1783 VanDerWaalsContact OG-CD 3.28Å; S1399-E1783 PolarHBondContact OG-OE1 2.9Å; S1399-E1783 PolarHBondContact OG-OE2 3.42Å; R1779-E1783 HydrophobicContact CG-CG 4.34Å; R1779-E1783 IonicContact CZ-OE1 2.86Å; R1779-E1783 VanDerWaalsContact CZ-OE1 3.27Å; R1779-E1783 IonicContact NE-OE1 3.93Å; R1779-E1783 PolarHBondContact NE-OE1 3.28Å; R1779-E1783 VanDerWaalsContact NE-OE1 3.13Å; R1779-E1783 IonicContact NE-OE2 2.87Å; R1779-E1783 IonicContact NH2-OE1 2.56Å; R1779-E1783 PolarHBondContact NH2-OE1 3.18Å; R1779-E1783 PolarHBondContact O-N 3.24Å; E1783-Y1785 VanDerWaalsContact C-N 3.35Å; E1783-S1786 PolarHBondContact O-N 3.42Å; E1783-S1787 WeakPolarHBondContact O-CB 3.47Å; E1783-S1787 PolarHBondContact O-N 3.22Å; E1783-S1787 PolarHBondContact O-OG 3.01Å
1784F51.3Low56.2Low57 Ų5765 Ų6525%0.2533%0.325CS..Hα-helixtrans-64.6-39.4175172.6-103.7000111.4F1781 N1782 S1787 H1788F1781-F1784 WeakPolarHBondContact O-CB 3.28Å; F1781-F1784 PolarHBondContact O-N 3.07Å; N1782-F1784 PolarHBondContact O-N 3.29Å; F1784-S1787 PolarHBondContact O-N 3.31Å; F1784-H1788 AromaticContact CD2-CD2 3.42Å; F1784-H1788 VanDerWaalsContact CD2-CD2 3.42Å; F1784-H1788 WeakPolarHBondContact CD2-CD2 3.39Å; F1784-H1788 AromaticContact CD2-NE2 3.71Å; F1784-H1788 AromaticContact CE2-CD2 3.19Å; F1784-H1788 WeakPolarHBondContact CE2-CD2 3.4Å; F1784-H1788 AromaticContact CE2-NE2 3.23Å; F1784-H1788 WeakPolarHBondContact CE2-NE2 3.03Å; F1784-H1788 AromaticContact CZ-CD2 3.82Å; F1784-H1788 PolarHBondContact O-CD2 2.94Å; F1784-H1788 PolarHBondContact O-N 3.18Å
1785Y44.3Very low54.6Low102 Ų10266.6 Ų66.640%0.434%0.337SS..Hα-helixtrans-70.9-34.1175.5-64.9-72.7000112.7F1781 N1782 E1783F1781-Y1785 WeakPolarHBondContact O-CD2 3.44Å; N1782-Y1785 PolarHBondContact O-N 3.01Å; E1783-Y1785 VanDerWaalsContact C-N 3.35Å
1786S46.8Very low52.7Low49 Ų4971.4 Ų71.434%0.34337%0.37SS..Hα-helixtrans-66.1-42.8172.8-58.40000112.2N1782 E1783 H1788N1782-S1786 PolarHBondContact O-N 3.01Å; E1783-S1786 PolarHBondContact O-N 3.42Å; S1786-H1788 VanDerWaalsContact C-N 3.35Å; S1786-H1788 PolarHBondContact O-N 3.46Å
1787S46.2Very low50.8Low70 Ų7075 Ų7549%0.4939%0.389SS..Hα-helixtrans-77.2-15.5-173.6-53.40000114.5E1783 F1784E1783-S1787 WeakPolarHBondContact O-CB 3.47Å; E1783-S1787 PolarHBondContact O-N 3.22Å; E1783-S1787 PolarHBondContact O-OG 3.01Å; F1784-S1787 PolarHBondContact O-N 3.31Å
1788H44.3Very low49.3Very low116 Ų11675.7 Ų75.754%0.53739%0.394SS..THydrogen-bonded Turntrans-99.728.4-178.2-83.8-72.4000114.5F1784 S1786 F1790F1784-H1788 AromaticContact CD2-CD2 3.42Å; F1784-H1788 VanDerWaalsContact CD2-CD2 3.42Å; F1784-H1788 WeakPolarHBondContact CD2-CD2 3.39Å; F1784-H1788 AromaticContact CD2-NE2 3.71Å; F1784-H1788 AromaticContact CE2-CD2 3.19Å; F1784-H1788 WeakPolarHBondContact CE2-CD2 3.4Å; F1784-H1788 AromaticContact CE2-NE2 3.23Å; F1784-H1788 WeakPolarHBondContact CE2-NE2 3.03Å; F1784-H1788 AromaticContact CZ-CD2 3.82Å; F1784-H1788 PolarHBondContact O-CD2 2.94Å; F1784-H1788 PolarHBondContact O-N 3.18Å; S1786-H1788 VanDerWaalsContact C-N 3.35Å; S1786-H1788 PolarHBondContact O-N 3.46Å; H1788-F1790 HydrophobicContact CB-CD2 4.45Å; H1788-F1790 WeakPolarHBondContact O-CD2 3Å; H1788-F1790 PolarHBondContact O-N 3.37Å
1789G35Very low48.1Very low38 Ų3879.5 Ų79.539%0.39241%0.411SS..THydrogen-bonded Turntrans74.414.3163.600000116.3N1791 E1792G1789-N1791 PolarHBondContact O-N 3.24Å; G1789-E1792 WeakPolarHBondContact O-CG 3.48Å
1790F39.7Very low47Very low126 Ų12686.5 Ų86.555%0.55344%0.439SS*.THydrogen-bonded Turntrans-76.30.4179.6-78.9-79.8000114.7P874 H1788P874-F1790 HydrophobicContact CB-CE1 4.3Å; P874-F1790 HydrophobicContact CB-CE2 4.33Å; P874-F1790 HydrophobicContact CB-CZ 3.58Å; P874-F1790 HydrophobicContact CG-CE2 4.14Å; P874-F1790 HydrophobicContact CG-CZ 3.68Å; H1788-F1790 HydrophobicContact CB-CD2 4.45Å; H1788-F1790 WeakPolarHBondContact O-CD2 3Å; H1788-F1790 PolarHBondContact O-N 3.37Å
1791N34.8Very low46Very low73 Ų7389.8 Ų89.839%0.3946%0.459SS..THydrogen-bonded Turntrans-152.559.6176.3-81.8-89.3000112.2G1789 D1793 K1794G1789-N1791 PolarHBondContact O-N 3.24Å; N1791-D1793 PolarHBondContact O-N 3.32Å; N1791-K1794 HydrophobicContact CB-CB 4.46Å; N1791-K1794 PolarHBondContact O-N 2.89Å; N1791-K1794 VanDerWaalsContact O-N 3.1Å; N1791-K1794 PolarHBondContact OD1-NZ 2.98Å
1792E35Very low45.6Very low165 Ų16587.8 Ų87.877%0.77145%0.452SS*.THydrogen-bonded Turntrans-56-16.4-174-58.3-173.4136.500115.6G1789G1789-E1792 WeakPolarHBondContact O-CG 3.48Å
1793D42.4Very low45.6Very low167 Ų16787.8 Ų87.889%0.89345%0.451SS*.THydrogen-bonded Turntrans-92.71.7178.9-74.8-45.8000115.8N1791N1791-D1793 PolarHBondContact O-N 3.32Å
1794K42.9Very low45.7Very low98 Ų9889.9 Ų89.943%0.42647%0.465SS..  trans-127.92-166.5-64.7-174.2-165.8125.30117.5N1791 S1796 L1797 N1798N1791-K1794 HydrophobicContact CB-CB 4.46Å; N1791-K1794 PolarHBondContact O-N 2.89Å; N1791-K1794 VanDerWaalsContact O-N 3.1Å; N1791-K1794 PolarHBondContact OD1-NZ 2.98Å; K1794-S1796 VanDerWaalsContact C-N 3.34Å; K1794-S1796 PolarHBondContact O-N 2.94Å; K1794-S1796 VanDerWaalsContact O-N 3.15Å; K1794-L1797 PolarHBondContact O-N 3.22Å; K1794-N1798 WeakPolarHBondContact CB-ND2 3.23Å; K1794-N1798 WeakPolarHBondContact O-CB 3.13Å; K1794-N1798 PolarHBondContact O-N 3.18Å
1795D47.5Very low46.5Very low93 Ų9389.3 Ų89.350%0.49746%0.464SS..Hα-helixtrans-58.7-37.3-163.8-69.5-26.6000115.1K1799D1795-K1799 WeakPolarHBondContact O-CB 3.48Å; D1795-K1799 PolarHBondContact O-N 3.18Å
1796S45.3Very low47.6Very low100 Ų10085.4 Ų85.470%0.69945%0.45SS*.Hα-helixtrans-66.7-43.3176.555.70000112.9K1794 Y1800K1794-S1796 VanDerWaalsContact C-N 3.34Å; K1794-S1796 PolarHBondContact O-N 2.94Å; K1794-S1796 VanDerWaalsContact O-N 3.15Å; S1796-Y1800 PolarHBondContact O-N 2.87Å
1797L38.2Very low48.8Very low77 Ų7790 Ų9040%0.40346%0.464SS..Hα-helixtrans-73.9-43.5179.9-173.564.9000111.4K1794 K1799 Y1800 V1801K1794-L1797 PolarHBondContact O-N 3.22Å; L1797-K1799 PolarHBondContact O-N 3.47Å; L1797-Y1800 PolarHBondContact O-N 2.86Å; L1797-V1801 HydrophobicContact CG-CG2 4.39Å; L1797-V1801 WeakPolarHBondContact O-CG2 3.36Å; L1797-V1801 PolarHBondContact O-N 3.46Å
1798N45.7Very low50.3Low46 Ų4688.4 Ų88.425%0.24645%0.45CS..Hα-helixtrans-58.5-38.9174.7-77.3-9.1000111.2K1794 Y1800 V1801 T1802K1794-N1798 WeakPolarHBondContact CB-ND2 3.23Å; K1794-N1798 WeakPolarHBondContact O-CB 3.13Å; K1794-N1798 PolarHBondContact O-N 3.18Å; N1798-Y1800 PolarHBondContact O-N 2.96Å; N1798-V1801 PolarHBondContact O-N 2.76Å; N1798-T1802 WeakPolarHBondContact O-CB 3.46Å; N1798-T1802 WeakPolarHBondContact O-CG2 3.44Å; N1798-T1802 PolarHBondContact O-N 3.26Å; N1798-T1802 PolarHBondContact O-OG1 2.87Å
1799K50.8Low52.1Low112 Ų11283 Ų8349%0.48743%0.425SS..Hα-helixtrans-66.7-33.8178.5-168.5170.6-173.7171.40113.4Y1396 D1795 L1797 T1802 Q1803Y1396-K1799 WeakPolarHBondContact OH-CE 3.46Å; Y1396-K1799 WeakPolarHBondContact OH-CG 3.44Å; D1795-K1799 WeakPolarHBondContact O-CB 3.48Å; D1795-K1799 PolarHBondContact O-N 3.18Å; L1797-K1799 PolarHBondContact O-N 3.47Å; K1799-T1802 WeakPolarHBondContact CA-OG1 3.5Å; K1799-T1802 PolarHBondContact O-OG1 3.37Å; K1799-Q1803 WeakPolarHBondContact O-CG 3.17Å; K1799-Q1803 PolarHBondContact O-N 2.8Å
1800Y45.2Very low54.2Low155 Ų15583.8 Ų83.861%0.60842%0.42SS*.Hα-helixtrans-76.2-41170.7-94.1-89.4000112.8S1796 L1797 N1798 T1802 Q1803 V1804S1796-Y1800 PolarHBondContact O-N 2.87Å; L1797-Y1800 PolarHBondContact O-N 2.86Å; N1798-Y1800 PolarHBondContact O-N 2.96Å; Y1800-T1802 PolarHBondContact O-N 3.49Å; Y1800-Q1803 PolarHBondContact O-N 2.87Å; Y1800-V1804 PolarHBondContact O-N 2.88Å; Y1800-V1804 VanDerWaalsContact O-N 3.15Å
1801V48.1Very low56.3Low72 Ų7282.8 Ų82.844%0.43642%0.417SS..Hα-helixtrans-61.2-45.6178.4169.10000110.6L1797 N1798 Q1803 V1804 E1805L1797-V1801 HydrophobicContact CG-CG2 4.39Å; L1797-V1801 WeakPolarHBondContact O-CG2 3.36Å; L1797-V1801 PolarHBondContact O-N 3.46Å; N1798-V1801 PolarHBondContact O-N 2.76Å; V1801-Q1803 PolarHBondContact O-N 3.15Å; V1801-V1804 PolarHBondContact O-N 2.63Å; V1801-V1804 VanDerWaalsContact O-N 3.16Å; V1801-E1805 PolarHBondContact O-N 3.1Å
1802T57.2Low58.7Low31 Ų3179.5 Ų79.519%0.1940%0.399CS..Hα-helixtrans-57.4-47.5174.145.10000111.9N1798 K1799 Y1800 V1804 E1805 D1806N1798-T1802 WeakPolarHBondContact O-CB 3.46Å; N1798-T1802 WeakPolarHBondContact O-CG2 3.44Å; N1798-T1802 PolarHBondContact O-N 3.26Å; N1798-T1802 PolarHBondContact O-OG1 2.87Å; K1799-T1802 WeakPolarHBondContact CA-OG1 3.5Å; K1799-T1802 PolarHBondContact O-OG1 3.37Å; Y1800-T1802 PolarHBondContact O-N 3.49Å; T1802-V1804 PolarHBondContact O-N 3.3Å; T1802-E1805 PolarHBondContact O-N 2.85Å; T1802-E1805 VanDerWaalsContact O-N 3.14Å; T1802-D1806 VanDerWaalsContact C-OD2 3.32Å; T1802-D1806 WeakPolarHBondContact O-CB 3.47Å; T1802-D1806 PolarHBondContact O-N 3.02Å
1803Q60.7Low61.2Low61 Ų6171.8 Ų71.829%0.28536%0.363SS..Hα-helixtrans-59.3-30.4177-75-177.121.800114.5Y1396 K1799 Y1800 V1801 D1806 K1807Y1396-Q1803 HydrophobicContact CD2-CG 4.22Å; Y1396-Q1803 HydrophobicContact CE2-CG 3.39Å; Y1396-Q1803 VanDerWaalsContact CZ-NE2 3.26Å; Y1396-Q1803 PolarHBondContact OH-NE2 3.29Å; K1799-Q1803 WeakPolarHBondContact O-CG 3.17Å; K1799-Q1803 PolarHBondContact O-N 2.8Å; Y1800-Q1803 PolarHBondContact O-N 2.87Å; V1801-Q1803 PolarHBondContact O-N 3.15Å; Q1803-D1806 WeakPolarHBondContact CA-OD2 3.4Å; Q1803-K1807 WeakPolarHBondContact O-CG 3.45Å; Q1803-K1807 PolarHBondContact O-N 2.84Å
1804V59.3Low63.2Low79 Ų7966.2 Ų66.248%0.47934%0.337SS..Hα-helixtrans-77.5-43.7175.7174.30000110.5Y1800 V1801 T1802 D1806 K1807 N1808Y1800-V1804 PolarHBondContact O-N 2.88Å; Y1800-V1804 VanDerWaalsContact O-N 3.15Å; V1801-V1804 PolarHBondContact O-N 2.63Å; V1801-V1804 VanDerWaalsContact O-N 3.16Å; T1802-V1804 PolarHBondContact O-N 3.3Å; V1804-D1806 VanDerWaalsContact C-N 3.33Å; V1804-D1806 PolarHBondContact O-N 2.95Å; V1804-K1807 PolarHBondContact O-N 3.48Å; V1804-N1808 PolarHBondContact O-N 2.8Å; V1804-N1808 VanDerWaalsContact O-N 3.11Å; V1804-N1808 PolarHBondContact O-ND2 3.19Å; V1804-N1808 PolarHBondContact O-OD1 3.06Å
1805E67.2Low65.4Low46 Ų4662 Ų6222%0.21532%0.319CS..Hα-helixtrans-62.6-38.8173.7-67.6-154.8120.200112.4V1801 T1802 K1807 N1808 L1809V1801-E1805 PolarHBondContact O-N 3.1Å; T1802-E1805 PolarHBondContact O-N 2.85Å; T1802-E1805 VanDerWaalsContact O-N 3.14Å; E1805-K1807 PolarHBondContact O-N 3.41Å; E1805-N1808 PolarHBondContact O-N 2.61Å; E1805-L1809 VanDerWaalsContact O-CB 3.32Å; E1805-L1809 WeakPolarHBondContact O-CB 3.49Å; E1805-L1809 VanDerWaalsContact O-CG 3.26Å; E1805-L1809 WeakPolarHBondContact O-CG 3.24Å; E1805-L1809 PolarHBondContact O-N 3.39Å
1806D67.9Low67.4Low19 Ų1957.7 Ų57.710%0.10230%0.296CS..Hα-helixtrans-55.7-49174.5-72.9-49000111.6L1395 R1779 T1802 Q1803 V1804 L1809 N1810L1395-D1806 HydrophobicContact CD1-CB 4.25Å; R1779-D1806 IonicContact CZ-OD1 2.81Å; R1779-D1806 IonicContact CZ-OD2 3.8Å; R1779-D1806 IonicContact NH1-OD1 2.71Å; R1779-D1806 PolarHBondContact NH1-OD1 3.37Å; R1779-D1806 IonicContact NH1-OD2 2.68Å; R1779-D1806 PolarHBondContact NH1-OD2 3.07Å; R1779-D1806 IonicContact NH2-OD2 2.76Å; T1802-D1806 VanDerWaalsContact C-OD2 3.32Å; T1802-D1806 WeakPolarHBondContact O-CB 3.47Å; T1802-D1806 PolarHBondContact O-N 3.02Å; Q1803-D1806 WeakPolarHBondContact CA-OD2 3.4Å; V1804-D1806 VanDerWaalsContact C-N 3.33Å; V1804-D1806 PolarHBondContact O-N 2.95Å; D1806-L1809 PolarHBondContact O-N 3.17Å; D1806-N1810 PolarHBondContact O-N 2.82Å; D1806-N1810 PolarHBondContact O-ND2 3.1Å
1807K72.6Confident69.3Low147 Ų14753 Ų5364%0.63926%0.263SS*.Hα-helixtrans-62.9-45.3178.7-73.5172.4-178.6174.60110.8Q1803 V1804 E1805 L1809 N1810 Q1811Q1803-K1807 WeakPolarHBondContact O-CG 3.45Å; Q1803-K1807 PolarHBondContact O-N 2.84Å; V1804-K1807 PolarHBondContact O-N 3.48Å; E1805-K1807 PolarHBondContact O-N 3.41Å; K1807-L1809 VanDerWaalsContact C-N 3.34Å; K1807-L1809 PolarHBondContact O-N 2.93Å; K1807-N1810 PolarHBondContact O-N 2.66Å; K1807-Q1811 WeakPolarHBondContact O-CB 3.4Å; K1807-Q1811 PolarHBondContact O-N 2.85Å
1808N76.7Confident71.6Confident36 Ų3653.8 Ų53.819%0.19326%0.264CS..Hα-helixtrans-62.7-39.2177.1-61.8-18.5000112.1V1804 E1805 L1812V1804-N1808 PolarHBondContact O-N 2.8Å; V1804-N1808 VanDerWaalsContact O-N 3.11Å; V1804-N1808 PolarHBondContact O-ND2 3.19Å; V1804-N1808 PolarHBondContact O-OD1 3.06Å; E1805-N1808 PolarHBondContact O-N 2.61Å; N1808-L1812 VanDerWaalsContact O-CB 3.28Å; N1808-L1812 WeakPolarHBondContact O-CB 3.5Å; N1808-L1812 PolarHBondContact O-N 3.02Å
1809L81.2Confident73.6Confident3 Ų351.6 Ų51.62%0.01625%0.253CS..Hα-helixtrans-72-40.1179.2-75.8171.6000112.6L1775 Y1778 E1805 D1806 K1807 L1812 V1813 M1849L1775-L1809 HydrophobicContact CD1-CB 3.68Å; L1775-L1809 HydrophobicContact CD1-CD1 3.94Å; L1775-L1809 HydrophobicContact CD1-CG 4.34Å; Y1778-L1809 HydrophobicContact CD1-CD1 4.26Å; Y1778-L1809 HydrophobicContact CE1-CD1 4.02Å; E1805-L1809 VanDerWaalsContact O-CB 3.32Å; E1805-L1809 WeakPolarHBondContact O-CB 3.49Å; E1805-L1809 VanDerWaalsContact O-CG 3.26Å; E1805-L1809 WeakPolarHBondContact O-CG 3.24Å; E1805-L1809 PolarHBondContact O-N 3.39Å; D1806-L1809 PolarHBondContact O-N 3.17Å; K1807-L1809 VanDerWaalsContact C-N 3.34Å; K1807-L1809 PolarHBondContact O-N 2.93Å; L1809-L1812 HydrophobicContact CD2-CD2 4.18Å; L1809-L1812 WeakPolarHBondContact O-CB 3.22Å; L1809-L1812 PolarHBondContact O-N 2.97Å; L1809-V1813 WeakPolarHBondContact O-CG2 3.42Å; L1809-V1813 PolarHBondContact O-N 3.49Å; L1809-M1849 WeakPolarHBondContact CD1-O 3.27Å
1810N80.8Confident75.3Confident53 Ų5346.3 Ų46.328%0.28323%0.23SC..Hα-helixtrans-61.9-45.7171.9-79-82000110.8L1395 D1806 K1807 L1812 V1813 S1814L1395-N1810 VanDerWaalsContact CD1-ND2 3.27Å; L1395-N1810 WeakPolarHBondContact CD1-ND2 3.17Å; D1806-N1810 PolarHBondContact O-N 2.82Å; D1806-N1810 PolarHBondContact O-ND2 3.1Å; K1807-N1810 PolarHBondContact O-N 2.66Å; N1810-L1812 VanDerWaalsContact C-N 3.32Å; N1810-L1812 PolarHBondContact O-N 2.75Å; N1810-V1813 PolarHBondContact O-N 2.91Å; N1810-S1814 PolarHBondContact O-N 3.49Å; N1810-S1814 VanDerWaalsContact O-N 3.14Å
1811Q82.6Confident77.1Confident106 Ų10640 Ų4050%0.49521%0.207SC..Hα-helixtrans-61.1-40175.9-176.6172.6-10.900111.9K1807 W1815 P1908K1807-Q1811 WeakPolarHBondContact O-CB 3.4Å; K1807-Q1811 PolarHBondContact O-N 2.85Å; Q1811-W1815 VanDerWaalsContact O-CB 3.24Å; Q1811-W1815 WeakPolarHBondContact O-CB 3.28Å; Q1811-W1815 PolarHBondContact O-N 2.77Å; Q1811-P1908 HydrophobicContact CG-CB 4.39Å
1812L86.2Confident78.5Confident4 Ų438.9 Ų38.92%0.02120%0.197CC..Hα-helixtrans-62.6-42.1174.5175.568000112.6N1808 L1809 N1810 W1815 L1816 S1854 P1908 W1909N1808-L1812 VanDerWaalsContact O-CB 3.28Å; N1808-L1812 WeakPolarHBondContact O-CB 3.5Å; N1808-L1812 PolarHBondContact O-N 3.02Å; L1809-L1812 HydrophobicContact CD2-CD2 4.18Å; L1809-L1812 WeakPolarHBondContact O-CB 3.22Å; L1809-L1812 PolarHBondContact O-N 2.97Å; N1810-L1812 VanDerWaalsContact C-N 3.32Å; N1810-L1812 PolarHBondContact O-N 2.75Å; L1812-W1815 PolarHBondContact O-N 2.9Å; L1812-L1816 HydrophobicContact CD1-CD1 3.92Å; L1812-L1816 HydrophobicContact CD1-CG 3.93Å; L1812-L1816 HydrophobicContact CG-CD1 3.89Å; L1812-L1816 HydrophobicContact CG-CG 4.3Å; L1812-L1816 WeakPolarHBondContact O-CB 3.31Å; L1812-L1816 VanDerWaalsContact O-CG 3.32Å; L1812-L1816 WeakPolarHBondContact O-CG 3.27Å; L1812-L1816 PolarHBondContact O-N 3.2Å; L1812-S1854 VanDerWaalsContact CD2-OG 3.3Å; L1812-S1854 WeakPolarHBondContact CD2-OG 3.49Å; L1812-P1908 HydrophobicContact CD1-CB 4.49Å; L1812-P1908 HydrophobicContact CD1-CG 3.9Å; L1812-W1909 HydrophobicContact CD1-CH2 3.89Å; L1812-W1909 HydrophobicContact CD1-CZ2 3.39Å
1813V86.2Confident79.6Confident2 Ų237.4 Ų37.41%0.01219%0.188CC..Hα-helixtrans-64.6-46.4178.9167.80000111.1L1771 N1772 L1775 L1809 N1810 T1817 M1849L1771-V1813 HydrophobicContact CB-CB 4.42Å; L1771-V1813 HydrophobicContact CB-CG1 3.55Å; L1771-V1813 HydrophobicContact CB-CG2 4.05Å; L1771-V1813 HydrophobicContact CD1-CG1 4.12Å; N1772-V1813 WeakPolarHBondContact OD1-CG1 3.26Å; L1775-V1813 HydrophobicContact CD2-CG2 4.25Å; L1809-V1813 WeakPolarHBondContact O-CG2 3.42Å; L1809-V1813 PolarHBondContact O-N 3.49Å; N1810-V1813 PolarHBondContact O-N 2.91Å; V1813-T1817 WeakPolarHBondContact O-CB 3.42Å; V1813-T1817 PolarHBondContact O-N 2.77Å; V1813-T1817 PolarHBondContact O-OG1 3.4Å; V1813-M1849 HydrophobicContact CG2-SD 4.29Å
1814S85.3Confident80.3Confident50 Ų5034.5 Ų34.535%0.3517%0.174SC..Hα-helixtrans-61.8-43.3173.4-60.70000111.7N1810 T1817 E1818N1810-S1814 PolarHBondContact O-N 3.49Å; N1810-S1814 VanDerWaalsContact O-N 3.14Å; S1814-T1817 WeakPolarHBondContact O-CB 3.4Å; S1814-T1817 PolarHBondContact O-N 3.35Å; S1814-E1818 PolarHBondContact O-N 3.36Å
1815W89.8Confident80.8Confident11 Ų1135.4 Ų35.44%0.04217%0.173CC..Hα-helixtrans-64.4-45.3179.6-176.386.6000113.4Q1811 L1812 T1817 E1818 F1819 F1858 W1902 I1903 T1906 P1908 W1909Q1811-W1815 VanDerWaalsContact O-CB 3.24Å; Q1811-W1815 WeakPolarHBondContact O-CB 3.28Å; Q1811-W1815 PolarHBondContact O-N 2.77Å; L1812-W1815 PolarHBondContact O-N 2.9Å; W1815-T1817 PolarHBondContact O-N 3.45Å; W1815-E1818 PolarHBondContact O-N 3.34Å; W1815-F1819 HydrophobicContact CD2-CB 4.47Å; W1815-F1819 HydrophobicContact CE3-CB 4.33Å; W1815-F1819 HydrophobicContact CH2-CB 4.28Å; W1815-F1819 HydrophobicContact CH2-CD2 4.2Å; W1815-F1819 HydrophobicContact CH2-CG 4.09Å; W1815-F1819 HydrophobicContact CZ2-CB 4.41Å; W1815-F1819 HydrophobicContact CZ2-CD2 4.42Å; W1815-F1819 HydrophobicContact CZ3-CB 4.24Å; W1815-F1819 HydrophobicContact CZ3-CD1 4.49Å; W1815-F1819 HydrophobicContact CZ3-CG 4.26Å; W1815-F1819 VanDerWaalsContact O-CB 3.24Å; W1815-F1819 WeakPolarHBondContact O-CB 3.47Å; W1815-F1819 PolarHBondContact O-N 3.43Å; W1815-F1858 HydrophobicContact CH2-CE1 4.26Å; W1815-F1858 AromaticContact CH2-CE2 3.75Å; W1815-F1858 HydrophobicContact CH2-CE2 3.75Å; W1815-F1858 AromaticContact CH2-CZ 3.62Å; W1815-F1858 HydrophobicContact CH2-CZ 3.62Å; W1815-F1858 HydrophobicContact CZ3-CD2 4.13Å; W1815-F1858 AromaticContact CZ3-CE2 3.71Å; W1815-F1858 HydrophobicContact CZ3-CE2 3.71Å; W1815-F1858 HydrophobicContact CZ3-CZ 4.06Å; W1815-W1902 AromaticContact CD1-CH2 3.56Å; W1815-W1902 HydrophobicContact CD2-CH2 4.35Å; W1815-W1902 AromaticContact CE2-CH2 3.75Å; W1815-W1902 AromaticContact CE2-CZ3 3.59Å; W1815-W1902 HydrophobicContact CG-CH2 4.25Å; W1815-W1902 HydrophobicContact CZ2-CH2 4.37Å; W1815-W1902 AromaticContact CZ2-CZ3 3.74Å; W1815-W1902 HydrophobicContact CZ2-CZ3 3.74Å; W1815-W1902 AromaticContact NE1-CH2 3.2Å; W1815-W1902 AromaticContact NE1-CZ2 3.95Å; W1815-W1902 AromaticContact NE1-CZ3 3.35Å; W1815-W1902 VanDerWaalsContact NE1-CZ3 3.35Å; W1815-I1903 HydrophobicContact CZ2-CB 4.48Å; W1815-I1903 HydrophobicContact CZ2-CG1 4.21Å; W1815-I1903 HydrophobicContact CZ2-CG2 4.2Å; W1815-T1906 VanDerWaalsContact CD1-O 3.23Å; W1815-T1906 PolarHBondContact NE1-O 3.06Å; W1815-T1906 PolarHBondContact NE1-OG1 3.47Å; W1815-P1908 HydrophobicContact CB-CB 3.9Å; W1815-P1908 HydrophobicContact CB-CG 4.02Å; W1815-P1908 HydrophobicContact CD2-CB 4.34Å; W1815-P1908 HydrophobicContact CD2-CG 3.54Å; W1815-P1908 HydrophobicContact CE3-CG 3.68Å; W1815-P1908 HydrophobicContact CG-CB 3.93Å; W1815-P1908 HydrophobicContact CG-CG 3.67Å; W1815-P1908 HydrophobicContact CZ3-CG 4.37Å; W1815-W1909 HydrophobicContact CH2-CZ3 4.3Å; W1815-W1909 HydrophobicContact CZ3-CH2 4.01Å; W1815-W1909 HydrophobicContact CZ3-CZ3 4.02Å
1816L88.7Confident80.8Confident1 Ų133.5 Ų33.51%0.00516%0.164CC..Hα-helixtrans-60.5-34.2176.4-76.2170.8000111.6L1771 L1812 W1820 C1847 W1857 F1858L1771-L1816 HydrophobicContact CD1-CB 4.43Å; L1812-L1816 HydrophobicContact CD1-CD1 3.92Å; L1812-L1816 HydrophobicContact CD1-CG 3.93Å; L1812-L1816 HydrophobicContact CG-CD1 3.89Å; L1812-L1816 HydrophobicContact CG-CG 4.3Å; L1812-L1816 WeakPolarHBondContact O-CB 3.31Å; L1812-L1816 VanDerWaalsContact O-CG 3.32Å; L1812-L1816 WeakPolarHBondContact O-CG 3.27Å; L1812-L1816 PolarHBondContact O-N 3.2Å; L1816-W1820 VanDerWaalsContact O-CB 3.28Å; L1816-W1820 WeakPolarHBondContact O-CB 3.27Å; L1816-W1820 PolarHBondContact O-N 3.14Å; L1816-C1847 HydrophobicContact CD1-CB 4.25Å; L1816-C1847 VanDerWaalsContact CD1-SG 3.58Å; L1816-W1857 HydrophobicContact CD1-CZ3 4.38Å; L1816-W1857 HydrophobicContact CD2-CH2 4.42Å; L1816-W1857 HydrophobicContact CD2-CZ3 3.95Å; L1816-F1858 HydrophobicContact CD2-CD2 4.17Å
1817T86.1Confident80.4Confident1 Ų133.6 Ų33.61%0.00617%0.166CC..Hα-helixtrans-72-41.1178.2-57.20000111.5K1764 E1768 V1813 S1814 W1815 N1821K1764-T1817 HydrophobicContact CD-CG2 4.13Å; K1764-T1817 HydrophobicContact CG-CG2 3.33Å; E1768-T1817 HydrophobicContact CB-CG2 4.09Å; V1813-T1817 WeakPolarHBondContact O-CB 3.42Å; V1813-T1817 PolarHBondContact O-N 2.77Å; V1813-T1817 PolarHBondContact O-OG1 3.4Å; S1814-T1817 WeakPolarHBondContact O-CB 3.4Å; S1814-T1817 PolarHBondContact O-N 3.35Å; W1815-T1817 PolarHBondContact O-N 3.45Å; T1817-N1821 PolarHBondContact O-N 3.46Å
1818E85.5Confident79.6Confident95 Ų9530.5 Ų30.544%0.44415%0.151SC..Hα-helixtrans-68.9-40.8172.3-70.3-171.5166.800112.9S1814 W1815 W1820 N1821 Q1822 W1902S1814-E1818 PolarHBondContact O-N 3.36Å; W1815-E1818 PolarHBondContact O-N 3.34Å; E1818-W1820 VanDerWaalsContact C-N 3.35Å; E1818-W1820 PolarHBondContact O-N 2.93Å; E1818-N1821 WeakPolarHBondContact O-CB 3.38Å; E1818-N1821 PolarHBondContact O-N 2.87Å; E1818-Q1822 PolarHBondContact O-N 3Å; E1818-W1902 HydrophobicContact CB-CH2 4.01Å; E1818-W1902 HydrophobicContact CB-CZ2 3.97Å
1819F88Confident78.5Confident0 Ų032.3 Ų32.30%017%0.166CC..Hα-helixtrans-60.3-43.3174.9171.5-108.1000111.8W1815 N1821 Q1822 L1823 F1844 F1858 W1862 L1866 W1902 I1903W1815-F1819 HydrophobicContact CD2-CB 4.47Å; W1815-F1819 HydrophobicContact CE3-CB 4.33Å; W1815-F1819 HydrophobicContact CH2-CB 4.28Å; W1815-F1819 HydrophobicContact CH2-CD2 4.2Å; W1815-F1819 HydrophobicContact CH2-CG 4.09Å; W1815-F1819 HydrophobicContact CZ2-CB 4.41Å; W1815-F1819 HydrophobicContact CZ2-CD2 4.42Å; W1815-F1819 HydrophobicContact CZ3-CB 4.24Å; W1815-F1819 HydrophobicContact CZ3-CD1 4.49Å; W1815-F1819 HydrophobicContact CZ3-CG 4.26Å; W1815-F1819 VanDerWaalsContact O-CB 3.24Å; W1815-F1819 WeakPolarHBondContact O-CB 3.47Å; W1815-F1819 PolarHBondContact O-N 3.43Å; F1819-N1821 VanDerWaalsContact C-N 3.34Å; F1819-N1821 PolarHBondContact O-N 2.86Å; F1819-Q1822 PolarHBondContact O-N 3.24Å; F1819-L1823 HydrophobicContact CD1-CD1 4.07Å; F1819-L1823 HydrophobicContact CE1-CD1 3.4Å; F1819-L1823 VanDerWaalsContact CE1-CD1 3.4Å; F1819-L1823 HydrophobicContact CE1-CG 4.03Å; F1819-L1823 HydrophobicContact CE2-CD1 4.26Å; F1819-L1823 HydrophobicContact CE2-CD2 4.2Å; F1819-L1823 HydrophobicContact CE2-CG 4.01Å; F1819-L1823 HydrophobicContact CZ-CD1 3.53Å; F1819-L1823 HydrophobicContact CZ-CD2 4Å; F1819-L1823 HydrophobicContact CZ-CG 3.77Å; F1819-L1823 WeakPolarHBondContact O-CG 3.24Å; F1819-L1823 PolarHBondContact O-N 3.11Å; F1819-F1844 AromaticContact CD1-CE1 3.8Å; F1819-F1844 HydrophobicContact CD1-CE1 3.8Å; F1819-F1844 HydrophobicContact CD1-CZ 4.36Å; F1819-F1844 AromaticContact CE1-CE1 3.76Å; F1819-F1844 HydrophobicContact CE1-CE1 3.76Å; F1819-F1844 AromaticContact CE1-CZ 4Å; F1819-F1844 HydrophobicContact CE1-CZ 4Å; F1819-F1858 AromaticContact CD1-CE2 3.94Å; F1819-F1858 HydrophobicContact CD1-CE2 3.94Å; F1819-F1858 AromaticContact CE1-CE2 3.5Å; F1819-F1858 HydrophobicContact CE1-CE2 3.5Å; F1819-F1858 HydrophobicContact CE1-CZ 4.09Å; F1819-F1858 HydrophobicContact CE2-CE2 4.46Å; F1819-F1858 HydrophobicContact CE2-CZ 4.28Å; F1819-F1858 AromaticContact CZ-CE2 3.79Å; F1819-F1858 HydrophobicContact CZ-CE2 3.79Å; F1819-F1858 AromaticContact CZ-CZ 3.87Å; F1819-F1858 HydrophobicContact CZ-CZ 3.87Å; F1819-W1862 HydrophobicContact CE2-CE3 4.39Å; F1819-W1862 AromaticContact CE2-CZ3 3.88Å; F1819-W1862 HydrophobicContact CE2-CZ3 3.88Å; F1819-W1862 AromaticContact CZ-CE3 3.9Å; F1819-W1862 HydrophobicContact CZ-CE3 3.9Å; F1819-W1862 AromaticContact CZ-CZ3 3.74Å; F1819-W1862 HydrophobicContact CZ-CZ3 3.74Å; F1819-L1866 HydrophobicContact CE1-CD1 3.98Å; F1819-L1866 HydrophobicContact CZ-CD1 3.88Å; F1819-W1902 HydrophobicContact CB-CH2 4.08Å; F1819-W1902 HydrophobicContact CB-CZ3 3.82Å; F1819-W1902 HydrophobicContact CD2-CZ3 4.11Å; F1819-W1902 HydrophobicContact CG-CZ3 4.46Å; F1819-I1903 HydrophobicContact CD2-CD1 4.3Å; F1819-I1903 HydrophobicContact CD2-CG1 4.17Å; F1819-I1903 HydrophobicContact CE2-CD1 3.74Å; F1819-I1903 HydrophobicContact CE2-CG1 4.12Å
1820W85.1Confident77Confident0 Ų034.2 Ų34.20%018%0.176CC..Hα-helixtrans-63.2-37.8175.3179.887.2000112.1I1760 A1763 K1764 L1767 L1816 E1818 N1824 I1838 F1839 I1841 F1844I1760-W1820 HydrophobicContact CG2-CH2 4.35Å; I1760-W1820 HydrophobicContact CG2-CZ3 3.87Å; A1763-W1820 HydrophobicContact CB-CH2 3.42Å; A1763-W1820 VanDerWaalsContact CB-CH2 3.42Å; A1763-W1820 HydrophobicContact CB-CZ2 4.22Å; A1763-W1820 HydrophobicContact CB-CZ3 4.1Å; K1764-W1820 HydrophobicContact CB-CZ3 4.25Å; L1767-W1820 HydrophobicContact CD2-CB 3.81Å; L1767-W1820 HydrophobicContact CD2-CD2 3.97Å; L1767-W1820 HydrophobicContact CD2-CE3 4.39Å; L1767-W1820 HydrophobicContact CD2-CG 3.71Å; L1816-W1820 VanDerWaalsContact O-CB 3.28Å; L1816-W1820 WeakPolarHBondContact O-CB 3.27Å; L1816-W1820 PolarHBondContact O-N 3.14Å; E1818-W1820 VanDerWaalsContact C-N 3.35Å; E1818-W1820 PolarHBondContact O-N 2.93Å; W1820-N1824 WeakPolarHBondContact CZ2-ND2 3.39Å; W1820-N1824 PolarHBondContact O-N 3.46Å; W1820-N1824 PolarHBondContact O-ND2 3.48Å; W1820-I1838 HydrophobicContact CH2-CG2 3.65Å; W1820-I1838 HydrophobicContact CZ2-CG2 3.28Å; W1820-F1839 PolarHBondContact NE1-O 3.3Å; W1820-I1841 HydrophobicContact CZ2-CD1 4.36Å; W1820-I1841 HydrophobicContact CZ2-CG1 3.76Å; W1820-F1844 AromaticContact CD1-CD2 3.51Å; W1820-F1844 AromaticContact CD1-CE2 3.59Å; W1820-F1844 AromaticContact CD1-CG 3.98Å
1821N83Confident75.6Confident24 Ų2435.5 Ų35.513%0.12818%0.183CC..Hα-helixtrans-60-52.3169.8-93.851.4000111.4K1764 T1817 E1818 F1819 L1823 N1824 E1825K1764-N1821 VanDerWaalsContact CB-OD1 3.29Å; K1764-N1821 WeakPolarHBondContact CB-OD1 3.26Å; K1764-N1821 WeakPolarHBondContact CD-OD1 3.3Å; K1764-N1821 WeakPolarHBondContact CG-OD1 3.32Å; T1817-N1821 PolarHBondContact O-N 3.46Å; E1818-N1821 WeakPolarHBondContact O-CB 3.38Å; E1818-N1821 PolarHBondContact O-N 2.87Å; F1819-N1821 VanDerWaalsContact C-N 3.34Å; F1819-N1821 PolarHBondContact O-N 2.86Å; N1821-L1823 VanDerWaalsContact C-N 3.28Å; N1821-L1823 PolarHBondContact O-N 2.97Å; N1821-N1824 PolarHBondContact O-N 2.79Å; N1821-E1825 PolarHBondContact O-N 3.27Å
1822Q79.1Confident73.8Confident48 Ų4840 Ų4022%0.22420%0.204CC..Hα-helixtrans-60.3-35.7-178.9-69.5-168.414.900113E1818 F1819 N1824 E1825 I1826 I1899 W1902E1818-Q1822 PolarHBondContact O-N 3Å; F1819-Q1822 PolarHBondContact O-N 3.24Å; Q1822-N1824 VanDerWaalsContact C-N 3.29Å; Q1822-N1824 PolarHBondContact O-N 2.87Å; Q1822-E1825 PolarHBondContact O-N 3.28Å; Q1822-I1826 PolarHBondContact O-N 3.41Å; Q1822-I1899 HydrophobicContact CB-CD1 4.25Å; Q1822-I1899 HydrophobicContact CB-CG1 4.37Å; Q1822-I1899 WeakPolarHBondContact O-CD1 3.28Å; Q1822-W1902 VanDerWaalsContact NE2-CD1 3.32Å; Q1822-W1902 VanDerWaalsContact NE2-CD2 3.26Å; Q1822-W1902 VanDerWaalsContact OE1-CD2 3.26Å
1823L78.9Confident71.5Confident0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-61.1-35.1172.5-79.3179.3000113.2F1819 N1821 I1826 P1827 F1839 F1844 L1866 L1870F1819-L1823 HydrophobicContact CD1-CD1 4.07Å; F1819-L1823 HydrophobicContact CE1-CD1 3.4Å; F1819-L1823 VanDerWaalsContact CE1-CD1 3.4Å; F1819-L1823 HydrophobicContact CE1-CG 4.03Å; F1819-L1823 HydrophobicContact CE2-CD1 4.26Å; F1819-L1823 HydrophobicContact CE2-CD2 4.2Å; F1819-L1823 HydrophobicContact CE2-CG 4.01Å; F1819-L1823 HydrophobicContact CZ-CD1 3.53Å; F1819-L1823 HydrophobicContact CZ-CD2 4Å; F1819-L1823 HydrophobicContact CZ-CG 3.77Å; F1819-L1823 WeakPolarHBondContact O-CG 3.24Å; F1819-L1823 PolarHBondContact O-N 3.11Å; N1821-L1823 VanDerWaalsContact C-N 3.28Å; N1821-L1823 PolarHBondContact O-N 2.97Å; L1823-I1826 HydrophobicContact CD2-CD1 4.19Å; L1823-P1827 WeakPolarHBondContact O-CD 3.49Å; L1823-F1839 HydrophobicContact CB-CD2 4.35Å; L1823-F1839 WeakPolarHBondContact O-CE2 3.44Å; L1823-F1844 HydrophobicContact CD1-CE2 4.5Å; L1823-F1844 HydrophobicContact CD1-CZ 3.72Å; L1823-L1866 HydrophobicContact CD1-CD1 3.93Å; L1823-L1866 HydrophobicContact CD1-CD2 3.83Å; L1823-L1870 HydrophobicContact CD2-CD1 4.35Å
1824N75.7Confident69.2Low0 Ų050.4 Ų50.40%026%0.264CS..Hα-helixtrans-80.2-32.3178.7-75.1-71.5000112.6I1760 W1820 N1821 Q1822 I1826 P1827 Y1828 I1838 F1839I1760-N1824 HydrophobicContact CG2-CB 4.33Å; W1820-N1824 WeakPolarHBondContact CZ2-ND2 3.39Å; W1820-N1824 PolarHBondContact O-N 3.46Å; W1820-N1824 PolarHBondContact O-ND2 3.48Å; N1821-N1824 PolarHBondContact O-N 2.79Å; Q1822-N1824 VanDerWaalsContact C-N 3.29Å; Q1822-N1824 PolarHBondContact O-N 2.87Å; N1824-I1826 PolarHBondContact O-N 3Å; N1824-P1827 WeakPolarHBondContact O-CD 3Å; N1824-P1827 VanDerWaalsContact O-CG 3.26Å; N1824-P1827 WeakPolarHBondContact O-CG 3.21Å; N1824-Y1828 HydrophobicContact CB-CE2 4.41Å; N1824-Y1828 WeakPolarHBondContact O-CD2 3.07Å; N1824-Y1828 PolarHBondContact O-N 2.89Å; N1824-I1838 WeakPolarHBondContact OD1-CA 3.48Å; N1824-I1838 WeakPolarHBondContact OD1-CG2 3.32Å; N1824-F1839 PolarHBondContact OD1-N 2.85Å
1825E71.1Confident67.1Low97 Ų9752.7 Ų52.745%0.45327%0.269SS..Hα-helixtrans-57.1-30.4171.7-68-61.214300112.4I1760 N1821 Q1822 Y1828 S1829I1760-E1825 VanDerWaalsContact CD1-OE1 3.31Å; I1760-E1825 WeakPolarHBondContact CD1-OE1 3.43Å; N1821-E1825 PolarHBondContact O-N 3.27Å; Q1822-E1825 PolarHBondContact O-N 3.28Å; E1825-Y1828 PolarHBondContact O-N 2.88Å; E1825-S1829 WeakPolarHBondContact O-CB 3.29Å; E1825-S1829 PolarHBondContact O-N 2.68Å; E1825-S1829 PolarHBondContact O-OG 3.49Å
1826I66Low65Low7 Ų754.3 Ų54.34%0.03628%0.276CS..Hα-helixtrans-54.7-66175.5-55.7166.6000111Q1822 L1823 N1824 Y1828 S1829 L1830 L1870 T1895 L1896 I1899Q1822-I1826 PolarHBondContact O-N 3.41Å; L1823-I1826 HydrophobicContact CD2-CD1 4.19Å; N1824-I1826 PolarHBondContact O-N 3Å; I1826-Y1828 VanDerWaalsContact C-N 3.33Å; I1826-Y1828 PolarHBondContact O-N 3.34Å; I1826-S1829 PolarHBondContact O-N 3.21Å; I1826-S1829 PolarHBondContact O-OG 3.13Å; I1826-L1830 HydrophobicContact CG2-CD1 3.69Å; I1826-L1830 VanDerWaalsContact O-CG 3.31Å; I1826-L1830 WeakPolarHBondContact O-CG 3.37Å; I1826-L1830 PolarHBondContact O-N 3.42Å; I1826-L1870 HydrophobicContact CD1-CD2 3.89Å; I1826-L1870 HydrophobicContact CG2-CD2 4.37Å; I1826-T1895 HydrophobicContact CG1-CG2 4.18Å; I1826-L1896 HydrophobicContact CD1-CD2 4.23Å; I1826-I1899 HydrophobicContact CD1-CD1 3.52Å; I1826-I1899 HydrophobicContact CG1-CD1 3.32Å
1827P59.3Low63.2Low21 Ų2157.5 Ų57.514%0.13630%0.296CS..Hα-helixtrans-63.2-31.2179.623.8-33.9000113.9L1823 N1824 S1829 L1830 L1831 F1836 F1839L1823-P1827 WeakPolarHBondContact O-CD 3.49Å; N1824-P1827 WeakPolarHBondContact O-CD 3Å; N1824-P1827 VanDerWaalsContact O-CG 3.26Å; N1824-P1827 WeakPolarHBondContact O-CG 3.21Å; P1827-S1829 VanDerWaalsContact C-N 3.29Å; P1827-S1829 PolarHBondContact O-N 3.43Å; P1827-L1830 PolarHBondContact O-N 2.84Å; P1827-L1831 HydrophobicContact CB-CD1 3.88Å; P1827-L1831 PolarHBondContact O-N 3.15Å; P1827-F1836 HydrophobicContact CB-CE2 3.93Å; P1827-F1836 HydrophobicContact CB-CZ 4.41Å; P1827-F1836 HydrophobicContact CG-CE2 3.92Å; P1827-F1836 HydrophobicContact CG-CZ 3.9Å; P1827-F1839 HydrophobicContact CG-CE2 4.13Å
1828Y56.5Low61.9Low82 Ų8258 Ų5832%0.32230%0.299SS..Hα-helixtrans-60.3-40174.7-81.2-68.9000111.8I1760 N1824 E1825 I1826 L1830 F1836I1760-Y1828 HydrophobicContact CD1-CD2 3.59Å; I1760-Y1828 HydrophobicContact CD1-CE2 3.18Å; I1760-Y1828 HydrophobicContact CG1-CD2 4.32Å; I1760-Y1828 HydrophobicContact CG1-CE2 3.42Å; I1760-Y1828 VanDerWaalsContact CG1-CE2 3.42Å; N1824-Y1828 HydrophobicContact CB-CE2 4.41Å; N1824-Y1828 WeakPolarHBondContact O-CD2 3.07Å; N1824-Y1828 PolarHBondContact O-N 2.89Å; E1825-Y1828 PolarHBondContact O-N 2.88Å; I1826-Y1828 VanDerWaalsContact C-N 3.33Å; I1826-Y1828 PolarHBondContact O-N 3.34Å; Y1828-L1830 VanDerWaalsContact C-N 3.34Å; Y1828-F1836 AromaticContact CD1-CD2 3.62Å; Y1828-F1836 HydrophobicContact CD1-CD2 3.62Å; Y1828-F1836 AromaticContact CD1-CE2 3.53Å; Y1828-F1836 HydrophobicContact CD1-CE2 3.53Å; Y1828-F1836 HydrophobicContact CD1-CG 4.21Å; Y1828-F1836 HydrophobicContact CD1-CZ 4.05Å; Y1828-F1836 HydrophobicContact CD2-CD2 4.46Å; Y1828-F1836 HydrophobicContact CD2-CE1 4.1Å; Y1828-F1836 AromaticContact CD2-CE2 3.6Å; Y1828-F1836 HydrophobicContact CD2-CE2 3.6Å; Y1828-F1836 AromaticContact CD2-CZ 3.39Å; Y1828-F1836 HydrophobicContact CD2-CZ 3.39Å; Y1828-F1836 HydrophobicContact CE1-CB 4.5Å; Y1828-F1836 AromaticContact CE1-CD1 3.81Å; Y1828-F1836 HydrophobicContact CE1-CD1 3.81Å; Y1828-F1836 AromaticContact CE1-CD2 3.52Å; Y1828-F1836 HydrophobicContact CE1-CD2 3.52Å; Y1828-F1836 AromaticContact CE1-CE1 3.91Å; Y1828-F1836 HydrophobicContact CE1-CE1 3.91Å; Y1828-F1836 AromaticContact CE1-CE2 3.65Å; Y1828-F1836 HydrophobicContact CE1-CE2 3.65Å; Y1828-F1836 AromaticContact CE1-CG 3.62Å; Y1828-F1836 HydrophobicContact CE1-CG 3.62Å; Y1828-F1836 AromaticContact CE1-CZ 3.85Å; Y1828-F1836 HydrophobicContact CE1-CZ 3.85Å; Y1828-F1836 HydrophobicContact CE2-CD1 4.04Å; Y1828-F1836 HydrophobicContact CE2-CD2 4.33Å; Y1828-F1836 AromaticContact CE2-CE1 3.31Å; Y1828-F1836 HydrophobicContact CE2-CE1 3.31Å; Y1828-F1836 AromaticContact CE2-CE2 3.65Å; Y1828-F1836 HydrophobicContact CE2-CE2 3.65Å; Y1828-F1836 AromaticContact CE2-CZ 3.09Å; Y1828-F1836 HydrophobicContact CE2-CZ 3.09Å; Y1828-F1836 HydrophobicContact CG-CD2 4.1Å; Y1828-F1836 AromaticContact CG-CE2 3.5Å; Y1828-F1836 HydrophobicContact CG-CE2 3.5Å; Y1828-F1836 AromaticContact CG-CZ 3.83Å; Y1828-F1836 HydrophobicContact CG-CZ 3.83Å; Y1828-F1836 AromaticContact CZ-CD1 3.45Å; Y1828-F1836 VanDerWaalsContact CZ-CD1 3.45Å; Y1828-F1836 AromaticContact CZ-CD2 3.9Å; Y1828-F1836 AromaticContact CZ-CE1 3.22Å; Y1828-F1836 AromaticContact CZ-CE2 3.7Å; Y1828-F1836 AromaticContact CZ-CG 3.79Å; Y1828-F1836 AromaticContact CZ-CZ 3.37Å; Y1828-F1836 VanDerWaalsContact OH-CD1 3.28Å; Y1828-F1836 WeakPolarHBondContact OH-CD1 3.4Å; Y1828-F1836 VanDerWaalsContact OH-CE1 3.27Å; Y1828-F1836 WeakPolarHBondContact OH-CE1 3.4Å
1829S54Low61Low73 Ų7355 Ų5551%0.5129%0.285SS..Hα-helixtrans-75.1-18.9178730000114.5E1825 I1826 P1827E1825-S1829 WeakPolarHBondContact O-CB 3.29Å; E1825-S1829 PolarHBondContact O-N 2.68Å; E1825-S1829 PolarHBondContact O-OG 3.49Å; I1826-S1829 PolarHBondContact O-N 3.21Å; I1826-S1829 PolarHBondContact O-OG 3.13Å; P1827-S1829 VanDerWaalsContact C-N 3.29Å; P1827-S1829 PolarHBondContact O-N 3.43Å
1830L50Low59.9Low43 Ų4355.5 Ų55.523%0.22529%0.289CS..Hα-helixtrans-109.5-28-171.1-64.6178.9000114.6I1826 P1827 Y1828 I1892I1826-L1830 HydrophobicContact CG2-CD1 3.69Å; I1826-L1830 VanDerWaalsContact O-CG 3.31Å; I1826-L1830 WeakPolarHBondContact O-CG 3.37Å; I1826-L1830 PolarHBondContact O-N 3.42Å; P1827-L1830 PolarHBondContact O-N 2.84Å; Y1828-L1830 VanDerWaalsContact C-N 3.34Å; L1830-I1892 HydrophobicContact CD1-CD1 4.38Å; L1830-I1892 HydrophobicContact CD1-CG1 3.76Å; L1830-I1892 HydrophobicContact CD1-CG2 4.47Å; L1830-I1892 HydrophobicContact CD2-CD1 4.38Å; L1830-I1892 HydrophobicContact CD2-CG1 3.48Å; L1830-I1892 VanDerWaalsContact CD2-CG1 3.48Å; L1830-I1892 HydrophobicContact CG-CG1 4.25Å
1831L50.6Low59.4Low81 Ų8155.6 Ų55.642%0.42429%0.29SS..  trans-114.988.5-178.9-70.3109.9000110.7P1827 S1833P1827-L1831 HydrophobicContact CB-CD1 3.88Å; P1827-L1831 PolarHBondContact O-N 3.15Å; L1831-S1833 PolarHBondContact O-N 2.84Å
1832Q44.4Very low58.9Low200 Ų20057.8 Ų57.894%0.93530%0.296SS*.  trans-71.240168.9-65.8-172.3-32.200112.8
1833S37.8Very low58.8Low62 Ų6256.8 Ų56.843%0.43429%0.293SS..SBendtrans-128.3133.7-174.555.10000110.7L1831 Q1835L1831-S1833 PolarHBondContact O-N 2.84Å; S1833-Q1835 PolarHBondContact O-N 3.42Å
1834N37.5Very low59Low163 Ų16356.9 Ų56.987%0.87229%0.294SS*.SBendtrans-59.9-4.2-167.4-67.7-0.5000117.2F1836N1834-F1836 PolarHBondContact O-N 2.84Å
1835Q42.2Very low59.2Low97 Ų9758.4 Ų58.445%0.45330%0.302SS..  trans-90.973176.4-67.9-176.2-68.500111.3G1738 I1740 S1833 T1837G1738-Q1835 PolarHBondContact O-NE2 3.38Å; I1740-Q1835 HydrophobicContact CG1-CG 4.48Å; S1833-Q1835 PolarHBondContact O-N 3.42Å; Q1835-T1837 PolarHBondContact O-N 3.48Å
1836F45Very low59.7Low45 Ų4556.4 Ų56.420%0.19730%0.296CS..  trans-82.9107.4176.8-163.7-90000112.6P1827 Y1828 N1834 I1838P1827-F1836 HydrophobicContact CB-CE2 3.93Å; P1827-F1836 HydrophobicContact CB-CZ 4.41Å; P1827-F1836 HydrophobicContact CG-CE2 3.92Å; P1827-F1836 HydrophobicContact CG-CZ 3.9Å; Y1828-F1836 AromaticContact CD1-CD2 3.62Å; Y1828-F1836 HydrophobicContact CD1-CD2 3.62Å; Y1828-F1836 AromaticContact CD1-CE2 3.53Å; Y1828-F1836 HydrophobicContact CD1-CE2 3.53Å; Y1828-F1836 HydrophobicContact CD1-CG 4.21Å; Y1828-F1836 HydrophobicContact CD1-CZ 4.05Å; Y1828-F1836 HydrophobicContact CD2-CD2 4.46Å; Y1828-F1836 HydrophobicContact CD2-CE1 4.1Å; Y1828-F1836 AromaticContact CD2-CE2 3.6Å; Y1828-F1836 HydrophobicContact CD2-CE2 3.6Å; Y1828-F1836 AromaticContact CD2-CZ 3.39Å; Y1828-F1836 HydrophobicContact CD2-CZ 3.39Å; Y1828-F1836 HydrophobicContact CE1-CB 4.5Å; Y1828-F1836 AromaticContact CE1-CD1 3.81Å; Y1828-F1836 HydrophobicContact CE1-CD1 3.81Å; Y1828-F1836 AromaticContact CE1-CD2 3.52Å; Y1828-F1836 HydrophobicContact CE1-CD2 3.52Å; Y1828-F1836 AromaticContact CE1-CE1 3.91Å; Y1828-F1836 HydrophobicContact CE1-CE1 3.91Å; Y1828-F1836 AromaticContact CE1-CE2 3.65Å; Y1828-F1836 HydrophobicContact CE1-CE2 3.65Å; Y1828-F1836 AromaticContact CE1-CG 3.62Å; Y1828-F1836 HydrophobicContact CE1-CG 3.62Å; Y1828-F1836 AromaticContact CE1-CZ 3.85Å; Y1828-F1836 HydrophobicContact CE1-CZ 3.85Å; Y1828-F1836 HydrophobicContact CE2-CD1 4.04Å; Y1828-F1836 HydrophobicContact CE2-CD2 4.33Å; Y1828-F1836 AromaticContact CE2-CE1 3.31Å; Y1828-F1836 HydrophobicContact CE2-CE1 3.31Å; Y1828-F1836 AromaticContact CE2-CE2 3.65Å; Y1828-F1836 HydrophobicContact CE2-CE2 3.65Å; Y1828-F1836 AromaticContact CE2-CZ 3.09Å; Y1828-F1836 HydrophobicContact CE2-CZ 3.09Å; Y1828-F1836 HydrophobicContact CG-CD2 4.1Å; Y1828-F1836 AromaticContact CG-CE2 3.5Å; Y1828-F1836 HydrophobicContact CG-CE2 3.5Å; Y1828-F1836 AromaticContact CG-CZ 3.83Å; Y1828-F1836 HydrophobicContact CG-CZ 3.83Å; Y1828-F1836 AromaticContact CZ-CD1 3.45Å; Y1828-F1836 VanDerWaalsContact CZ-CD1 3.45Å; Y1828-F1836 AromaticContact CZ-CD2 3.9Å; Y1828-F1836 AromaticContact CZ-CE1 3.22Å; Y1828-F1836 AromaticContact CZ-CE2 3.7Å; Y1828-F1836 AromaticContact CZ-CG 3.79Å; Y1828-F1836 AromaticContact CZ-CZ 3.37Å; Y1828-F1836 VanDerWaalsContact OH-CD1 3.28Å; Y1828-F1836 WeakPolarHBondContact OH-CD1 3.4Å; Y1828-F1836 VanDerWaalsContact OH-CE1 3.27Å; Y1828-F1836 WeakPolarHBondContact OH-CE1 3.4Å; N1834-F1836 PolarHBondContact O-N 2.84Å; F1836-I1838 HydrophobicContact CD1-CG1 3.81Å; F1836-I1838 HydrophobicContact CE1-CB 4.17Å; F1836-I1838 HydrophobicContact CE1-CG1 3.61Å
1837T51.3Low60.6Low69 Ų6956.2 Ų56.242%0.42330%0.296SS..  trans-96.2104.6167.240.40000111Q1835Q1835-T1837 PolarHBondContact O-N 3.48Å
1838I58.6Low61.6Low12 Ų1256.3 Ų56.36%0.06230%0.296CS..  trans-56.2135.8168-56.3166.2000109.7A1641 L1757 W1820 N1824 F1836 G1840A1641-I1838 HydrophobicContact CB-CB 4.17Å; L1757-I1838 VanDerWaalsContact O-CD1 3.22Å; L1757-I1838 WeakPolarHBondContact O-CD1 3.44Å; W1820-I1838 HydrophobicContact CH2-CG2 3.65Å; W1820-I1838 HydrophobicContact CZ2-CG2 3.28Å; N1824-I1838 WeakPolarHBondContact OD1-CA 3.48Å; N1824-I1838 WeakPolarHBondContact OD1-CG2 3.32Å; F1836-I1838 HydrophobicContact CD1-CG1 3.81Å; F1836-I1838 HydrophobicContact CE1-CB 4.17Å; F1836-I1838 HydrophobicContact CE1-CG1 3.61Å; I1838-G1840 PolarHBondContact O-N 3.16Å; I1838-G1840 VanDerWaalsContact O-N 3.14Å
1839F66.2Low62.8Low32 Ų3252.6 Ų52.614%0.1428%0.282CS..  trans-57.4116.7172.4-85.8-77.6000110.6W1820 L1823 N1824 P1827 I1841 I1869 L1870W1820-F1839 PolarHBondContact NE1-O 3.3Å; L1823-F1839 HydrophobicContact CB-CD2 4.35Å; L1823-F1839 WeakPolarHBondContact O-CE2 3.44Å; N1824-F1839 PolarHBondContact OD1-N 2.85Å; P1827-F1839 HydrophobicContact CG-CE2 4.13Å; F1839-I1841 PolarHBondContact O-N 3.03Å; F1839-I1841 VanDerWaalsContact O-N 3.1Å; F1839-I1869 HydrophobicContact CE1-CG2 3.88Å; F1839-I1869 HydrophobicContact CZ-CG2 4.25Å; F1839-L1870 HydrophobicContact CZ-CD2 4.1Å
1840G66.6Low64Low10 Ų1051.7 Ų51.710%0.10327%0.269CS..  trans-53.9113.3-168.100000114.3I1838 R1842 T1843I1838-G1840 PolarHBondContact O-N 3.16Å; I1838-G1840 VanDerWaalsContact O-N 3.14Å; G1840-R1842 PolarHBondContact O-N 2.88Å; G1840-T1843 PolarHBondContact O-N 3.28Å; G1840-T1843 PolarHBondContact O-OG1 2.97Å
1841I74.4Confident65.2Low2 Ų251 Ų511%0.0127%0.268CS..Hα-helixtrans-51.6-32.6-179.3-45.5179.9000111.9T1644 A1763 Y1766 L1767 W1820 F1839 T1843 F1844 L1845T1644-I1841 HydrophobicContact CG2-CD1 4.01Å; T1644-I1841 HydrophobicContact CG2-CG1 4.46Å; A1763-I1841 HydrophobicContact CB-CD1 3.83Å; Y1766-I1841 HydrophobicContact CD1-CD1 4.09Å; Y1766-I1841 HydrophobicContact CD1-CG2 4.48Å; L1767-I1841 HydrophobicContact CB-CG2 3.92Å; L1767-I1841 HydrophobicContact CD1-CG2 3.75Å; L1767-I1841 HydrophobicContact CD2-CG2 4.49Å; L1767-I1841 HydrophobicContact CG-CG2 4.25Å; W1820-I1841 HydrophobicContact CZ2-CD1 4.36Å; W1820-I1841 HydrophobicContact CZ2-CG1 3.76Å; F1839-I1841 PolarHBondContact O-N 3.03Å; F1839-I1841 VanDerWaalsContact O-N 3.1Å; I1841-T1843 PolarHBondContact O-N 3.3Å; I1841-T1843 VanDerWaalsContact O-N 3.08Å; I1841-F1844 PolarHBondContact O-N 2.98Å; I1841-L1845 HydrophobicContact CG2-CD1 4.37Å; I1841-L1845 HydrophobicContact CG2-CG 4.21Å; I1841-L1845 PolarHBondContact O-N 3.31Å; I1841-L1845 VanDerWaalsContact O-N 3.16Å
1842R71.2Confident66.3Low69 Ų6950.9 Ų50.926%0.2627%0.266SS..Hα-helixtrans-46.7-38.4-180-171.7178.2-176.9144.6-1113.8D1229 A1230 F1236 G1840D1229-R1842 PolarHBondContact O-NH2 2.93Å; A1230-R1842 VanDerWaalsContact CA-NH2 3.34Å; A1230-R1842 PolarHBondContact O-NE 2.81Å; A1230-R1842 VanDerWaalsContact O-NE 3.16Å; A1230-R1842 PolarHBondContact O-NH2 3.04Å; F1236-R1842 HydrophobicContact CZ-CB 4.34Å; G1840-R1842 PolarHBondContact O-N 2.88Å
1843T77Confident68Low27 Ų2743.7 Ų43.717%0.16623%0.233CC..Hα-helixtrans-67.8-44.9178.9-17.60000111F1236 G1840 I1841 L1845 T1846 W1857 L1861F1236-T1843 WeakPolarHBondContact CE1-OG1 3.48Å; F1236-T1843 HydrophobicContact CZ-CG2 4.36Å; F1236-T1843 WeakPolarHBondContact CZ-OG1 3.33Å; G1840-T1843 PolarHBondContact O-N 3.28Å; G1840-T1843 PolarHBondContact O-OG1 2.97Å; I1841-T1843 PolarHBondContact O-N 3.3Å; I1841-T1843 VanDerWaalsContact O-N 3.08Å; T1843-L1845 VanDerWaalsContact C-N 3.26Å; T1843-L1845 PolarHBondContact O-N 2.82Å; T1843-T1846 WeakPolarHBondContact O-CB 3.34Å; T1843-T1846 PolarHBondContact O-N 2.82Å; T1843-T1846 PolarHBondContact O-OG1 2.77Å; T1843-W1857 WeakPolarHBondContact O-CZ2 3.44Å; T1843-L1861 HydrophobicContact CG2-CD1 3.5Å
1844F82.9Confident70.2Confident3 Ų340.7 Ų40.71%0.01321%0.213CC..Hα-helixtrans-66.1-30.1-179-68.4-93.2000112.2L1767 F1819 W1820 L1823 I1841 T1846 C1847 W1857 L1861 L1866L1767-F1844 HydrophobicContact CD1-CB 3.92Å; L1767-F1844 HydrophobicContact CD2-CB 4.33Å; F1819-F1844 AromaticContact CD1-CE1 3.8Å; F1819-F1844 HydrophobicContact CD1-CE1 3.8Å; F1819-F1844 HydrophobicContact CD1-CZ 4.36Å; F1819-F1844 AromaticContact CE1-CE1 3.76Å; F1819-F1844 HydrophobicContact CE1-CE1 3.76Å; F1819-F1844 AromaticContact CE1-CZ 4Å; F1819-F1844 HydrophobicContact CE1-CZ 4Å; W1820-F1844 AromaticContact CD1-CD2 3.51Å; W1820-F1844 AromaticContact CD1-CE2 3.59Å; W1820-F1844 AromaticContact CD1-CG 3.98Å; L1823-F1844 HydrophobicContact CD1-CE2 4.5Å; L1823-F1844 HydrophobicContact CD1-CZ 3.72Å; I1841-F1844 PolarHBondContact O-N 2.98Å; F1844-T1846 PolarHBondContact O-N 3.46Å; F1844-C1847 VanDerWaalsContact O-CB 3.28Å; F1844-C1847 WeakPolarHBondContact O-CB 3.43Å; F1844-C1847 PolarHBondContact O-N 3.09Å; F1844-C1847 VanDerWaalsContact O-N 3.13Å; F1844-W1857 HydrophobicContact CD1-CH2 4.17Å; F1844-L1861 HydrophobicContact CD1-CD2 4.47Å; F1844-L1861 HydrophobicContact CE1-CD2 3.93Å; F1844-L1861 HydrophobicContact CZ-CD2 3.97Å; F1844-L1866 HydrophobicContact CZ-CD1 4.41Å
1845L81.1Confident72.5Confident31 Ų3133.1 Ų33.116%0.16217%0.172CC..THydrogen-bonded Turntrans-66.5-10.8170.3-59.9178.2000114.3L1767 S1770 K1774 I1841 T1843L1767-L1845 HydrophobicContact CD1-CD2 3.83Å; L1767-L1845 HydrophobicContact CD1-CG 4.48Å; S1770-L1845 VanDerWaalsContact CB-CD2 3.44Å; K1774-L1845 PolarHBondContact NZ-O 3.07Å; I1841-L1845 HydrophobicContact CG2-CD1 4.37Å; I1841-L1845 HydrophobicContact CG2-CG 4.21Å; I1841-L1845 PolarHBondContact O-N 3.31Å; I1841-L1845 VanDerWaalsContact O-N 3.16Å; T1843-L1845 VanDerWaalsContact C-N 3.26Å; T1843-L1845 PolarHBondContact O-N 2.82Å
1846T81.6Confident74.4Confident55 Ų5531.8 Ų31.834%0.33717%0.168SC..THydrogen-bonded Turntrans-86.7-2.1171.970.20000113.8T1843 F1844 P1848 W1857T1843-T1846 WeakPolarHBondContact O-CB 3.34Å; T1843-T1846 PolarHBondContact O-N 2.82Å; T1843-T1846 PolarHBondContact O-OG1 2.77Å; F1844-T1846 PolarHBondContact O-N 3.46Å; T1846-P1848 WeakPolarHBondContact O-CD 3.48Å; T1846-W1857 PolarHBondContact OG1-NE1 2.56Å
1847C83.9Confident76.5Confident4 Ų431.5 Ų31.53%0.02717%0.166CC..  trans-56.7122.2177.8-175.90000111L1816 F1844 M1849 W1857L1816-C1847 HydrophobicContact CD1-CB 4.25Å; L1816-C1847 VanDerWaalsContact CD1-SG 3.58Å; F1844-C1847 VanDerWaalsContact O-CB 3.28Å; F1844-C1847 WeakPolarHBondContact O-CB 3.43Å; F1844-C1847 PolarHBondContact O-N 3.09Å; F1844-C1847 VanDerWaalsContact O-N 3.13Å; C1847-M1849 HydrophobicContact CB-CE 3.87Å; C1847-M1849 VanDerWaalsContact O-CE 3.23Å; C1847-M1849 WeakPolarHBondContact O-CE 3.47Å; C1847-M1849 PolarHBondContact O-N 3.46Å; C1847-W1857 HydrophobicContact CB-CD2 4.2Å; C1847-W1857 HydrophobicContact CB-CE3 3.97Å; C1847-W1857 HydrophobicContact CB-CH2 3.69Å; C1847-W1857 HydrophobicContact CB-CZ2 3.88Å; C1847-W1857 HydrophobicContact CB-CZ3 3.72Å
1848P81.3Confident78.3Confident23 Ų2328.2 Ų28.215%0.14915%0.145CC..  trans-72.412917429.5-32.7000109.3T1846 H1850 L1853 S1854 W1857T1846-P1848 WeakPolarHBondContact O-CD 3.48Å; P1848-H1850 PolarHBondContact O-N 2.87Å; P1848-L1853 HydrophobicContact CB-CB 4.29Å; P1848-L1853 HydrophobicContact CG-CB 3.96Å; P1848-S1854 WeakPolarHBondContact O-CB 3.46Å; P1848-W1857 HydrophobicContact CG-CB 4.01Å; P1848-W1857 HydrophobicContact CG-CG 4.41Å
1849M80.4Confident79.5Confident4 Ų429 Ų292%0.0215%0.15CC..SBendtrans-75.145-175.8-64.4-67.5100.700113.6L1771 K1774 L1775 Y1778 L1809 V1813 C1847L1771-M1849 HydrophobicContact CD2-CE 3.95Å; K1774-M1849 HydrophobicContact CB-CG 3.73Å; K1774-M1849 HydrophobicContact CB-SD 4.12Å; L1775-M1849 HydrophobicContact CB-SD 4.2Å; Y1778-M1849 HydrophobicContact CD1-CB 4.36Å; Y1778-M1849 WeakPolarHBondContact CD1-O 3.35Å; Y1778-M1849 HydrophobicContact CD2-CB 4.33Å; Y1778-M1849 WeakPolarHBondContact CE1-O 3.35Å; Y1778-M1849 HydrophobicContact CG-CB 3.88Å; L1809-M1849 WeakPolarHBondContact CD1-O 3.27Å; V1813-M1849 HydrophobicContact CG2-SD 4.29Å; C1847-M1849 HydrophobicContact CB-CE 3.87Å; C1847-M1849 VanDerWaalsContact O-CE 3.23Å; C1847-M1849 WeakPolarHBondContact O-CE 3.47Å; C1847-M1849 PolarHBondContact O-N 3.46Å
1850H79.5Confident80.3Confident53 Ų5332 Ų3225%0.24517%0.167CC..SBendtrans-140.9115.7-179.2172.6-55.9000110.4Y1778 P1848 Q1852 L1853 S1854Y1778-H1850 HydrophobicContact CE2-CB 4.22Å; Y1778-H1850 PolarHBondContact OH-CD2 2.91Å; Y1778-H1850 VanDerWaalsContact OH-CD2 3.3Å; P1848-H1850 PolarHBondContact O-N 2.87Å; H1850-Q1852 PolarHBondContact ND1-N 2.84Å; H1850-Q1852 PolarHBondContact O-N 3.36Å; H1850-L1853 HydrophobicContact CB-CB 4.39Å; H1850-L1853 HydrophobicContact CB-CD1 4.27Å; H1850-L1853 PolarHBondContact O-N 3.4Å; H1850-S1854 PolarHBondContact O-N 3.22Å
1851S76.4Confident81.2Confident29 Ų2932 Ų3220%0.20316%0.164CC..Hα-helixtrans41-121.7136.2148.80000115.4L1853 S1854S1851-L1853 PolarHBondContact O-N 2.83Å; S1851-S1854 PolarHBondContact O-OG 3.4Å
1852Q73.4Confident81.6Confident79 Ų7932.7 Ų32.737%0.36917%0.167SC..Hα-helixtrans-59.6-33.8176.5-17061.836.300115.7H1850 L1855 N1856H1850-Q1852 PolarHBondContact ND1-N 2.84Å; H1850-Q1852 PolarHBondContact O-N 3.36Å; Q1852-L1855 PolarHBondContact O-N 2.82Å; Q1852-N1856 PolarHBondContact O-N 2.83Å
1853L79.9Confident82Confident48 Ų4830.9 Ų30.925%0.25116%0.162SC..Hα-helixtrans-74-35.5-174.1-64.3174.9000111.7L1219 P1848 H1850 S1851 L1855 N1856 W1857L1219-L1853 HydrophobicContact CD1-CD1 3.79Å; L1219-L1853 HydrophobicContact CD2-CD1 3.89Å; L1219-L1853 HydrophobicContact CG-CD1 3.74Å; P1848-L1853 HydrophobicContact CB-CB 4.29Å; P1848-L1853 HydrophobicContact CG-CB 3.96Å; H1850-L1853 HydrophobicContact CB-CB 4.39Å; H1850-L1853 HydrophobicContact CB-CD1 4.27Å; H1850-L1853 PolarHBondContact O-N 3.4Å; S1851-L1853 PolarHBondContact O-N 2.83Å; L1853-L1855 VanDerWaalsContact C-N 3.29Å; L1853-L1855 PolarHBondContact O-N 3.31Å; L1853-N1856 PolarHBondContact O-N 2.79Å; L1853-W1857 WeakPolarHBondContact O-CB 3.4Å; L1853-W1857 PolarHBondContact O-N 3.48Å
1854S84.7Confident81.9Confident0 Ų034.4 Ų34.40%018%0.181CC..Hα-helixtrans-62.3-36.4173.567.60000112.3L1812 P1848 H1850 S1851 F1858 W1909L1812-S1854 VanDerWaalsContact CD2-OG 3.3Å; L1812-S1854 WeakPolarHBondContact CD2-OG 3.49Å; P1848-S1854 WeakPolarHBondContact O-CB 3.46Å; H1850-S1854 PolarHBondContact O-N 3.22Å; S1851-S1854 PolarHBondContact O-OG 3.4Å; S1854-F1858 VanDerWaalsContact O-CB 3.28Å; S1854-F1858 WeakPolarHBondContact O-CB 3.35Å; S1854-F1858 PolarHBondContact O-N 3.02Å; S1854-W1909 PolarHBondContact OG-NE1 2.66Å
1855L85Confident81.6Confident3 Ų337 Ų372%0.01619%0.193CC..Hα-helixtrans-66-47.6174.8174.457.2000111.7Q1852 L1853 W1857 F1858 L1859 W1907 W1909 V1914 P1917Q1852-L1855 PolarHBondContact O-N 2.82Å; L1853-L1855 VanDerWaalsContact C-N 3.29Å; L1853-L1855 PolarHBondContact O-N 3.31Å; L1855-W1857 PolarHBondContact O-N 3.36Å; L1855-F1858 PolarHBondContact O-N 2.78Å; L1855-L1859 HydrophobicContact CD1-CD1 4.13Å; L1855-L1859 HydrophobicContact CD1-CG 4.17Å; L1855-L1859 HydrophobicContact CG-CD1 4.22Å; L1855-L1859 WeakPolarHBondContact O-CG 3.48Å; L1855-L1859 PolarHBondContact O-N 2.75Å; L1855-W1907 HydrophobicContact CD1-CH2 3.76Å; L1855-W1907 HydrophobicContact CD1-CZ2 3.46Å; L1855-W1907 VanDerWaalsContact CD1-CZ2 3.46Å; L1855-W1909 HydrophobicContact CB-CD2 4.18Å; L1855-W1909 HydrophobicContact CB-CG 4.27Å; L1855-W1909 HydrophobicContact CB-CZ2 4.3Å; L1855-W1909 HydrophobicContact CD1-CD2 4.04Å; L1855-W1909 HydrophobicContact CD1-CE3 4.06Å; L1855-W1909 HydrophobicContact CD1-CZ3 4.35Å; L1855-V1914 HydrophobicContact CD2-CB 4.04Å; L1855-V1914 HydrophobicContact CD2-CG1 3.65Å; L1855-V1914 HydrophobicContact CD2-CG2 4.15Å; L1855-P1917 HydrophobicContact CD1-CG 4.35Å
1856N81.9Confident81.5Confident69 Ų6935.8 Ų35.837%0.36919%0.187SC..Hα-helixtrans-61-46.3178-68-4.7000111Q1852 L1853 F1858 L1859 D1860Q1852-N1856 PolarHBondContact O-N 2.83Å; L1853-N1856 PolarHBondContact O-N 2.79Å; N1856-F1858 PolarHBondContact O-N 3.39Å; N1856-L1859 PolarHBondContact O-N 3.03Å; N1856-D1860 PolarHBondContact O-N 3.37Å
1857W89.7Confident81.3Confident40 Ų4033.8 Ų33.815%0.15217%0.174CC..Hα-helixtrans-57.6-44.3173.8166.490.4000112.4L1816 T1843 F1844 T1846 C1847 P1848 L1853 L1855 L1859 D1860 L1861L1816-W1857 HydrophobicContact CD1-CZ3 4.38Å; L1816-W1857 HydrophobicContact CD2-CH2 4.42Å; L1816-W1857 HydrophobicContact CD2-CZ3 3.95Å; T1843-W1857 WeakPolarHBondContact O-CZ2 3.44Å; F1844-W1857 HydrophobicContact CD1-CH2 4.17Å; T1846-W1857 PolarHBondContact OG1-NE1 2.56Å; C1847-W1857 HydrophobicContact CB-CD2 4.2Å; C1847-W1857 HydrophobicContact CB-CE3 3.97Å; C1847-W1857 HydrophobicContact CB-CH2 3.69Å; C1847-W1857 HydrophobicContact CB-CZ2 3.88Å; C1847-W1857 HydrophobicContact CB-CZ3 3.72Å; P1848-W1857 HydrophobicContact CG-CB 4.01Å; P1848-W1857 HydrophobicContact CG-CG 4.41Å; L1853-W1857 WeakPolarHBondContact O-CB 3.4Å; L1853-W1857 PolarHBondContact O-N 3.48Å; L1855-W1857 PolarHBondContact O-N 3.36Å; W1857-L1859 VanDerWaalsContact C-N 3.35Å; W1857-L1859 PolarHBondContact O-N 3.02Å; W1857-D1860 PolarHBondContact O-N 2.87Å; W1857-L1861 HydrophobicContact CH2-CD2 3.62Å; W1857-L1861 HydrophobicContact CZ2-CD2 3.76Å; W1857-L1861 HydrophobicContact CZ3-CD2 4.23Å; W1857-L1861 WeakPolarHBondContact O-CB 3.49Å; W1857-L1861 PolarHBondContact O-N 2.86Å
1858F88.7Confident80.7Confident0 Ų036.6 Ų36.60%019%0.193CC..Hα-helixtrans-64.8-39.2178.3179.7-93.7000111.8W1815 L1816 F1819 S1854 L1855 N1856 L1861 W1862 W1907 W1909 I1920W1815-F1858 HydrophobicContact CH2-CE1 4.26Å; W1815-F1858 AromaticContact CH2-CE2 3.75Å; W1815-F1858 HydrophobicContact CH2-CE2 3.75Å; W1815-F1858 AromaticContact CH2-CZ 3.62Å; W1815-F1858 HydrophobicContact CH2-CZ 3.62Å; W1815-F1858 HydrophobicContact CZ3-CD2 4.13Å; W1815-F1858 AromaticContact CZ3-CE2 3.71Å; W1815-F1858 HydrophobicContact CZ3-CE2 3.71Å; W1815-F1858 HydrophobicContact CZ3-CZ 4.06Å; L1816-F1858 HydrophobicContact CD2-CD2 4.17Å; F1819-F1858 AromaticContact CD1-CE2 3.94Å; F1819-F1858 HydrophobicContact CD1-CE2 3.94Å; F1819-F1858 AromaticContact CE1-CE2 3.5Å; F1819-F1858 HydrophobicContact CE1-CE2 3.5Å; F1819-F1858 HydrophobicContact CE1-CZ 4.09Å; F1819-F1858 HydrophobicContact CE2-CE2 4.46Å; F1819-F1858 HydrophobicContact CE2-CZ 4.28Å; F1819-F1858 AromaticContact CZ-CE2 3.79Å; F1819-F1858 HydrophobicContact CZ-CE2 3.79Å; F1819-F1858 AromaticContact CZ-CZ 3.87Å; F1819-F1858 HydrophobicContact CZ-CZ 3.87Å; S1854-F1858 VanDerWaalsContact O-CB 3.28Å; S1854-F1858 WeakPolarHBondContact O-CB 3.35Å; S1854-F1858 PolarHBondContact O-N 3.02Å; L1855-F1858 PolarHBondContact O-N 2.78Å; N1856-F1858 PolarHBondContact O-N 3.39Å; F1858-L1861 PolarHBondContact O-N 3.34Å; F1858-W1862 HydrophobicContact CE1-CB 4.39Å; F1858-W1862 HydrophobicContact CZ-CE3 4.35Å; F1858-W1862 VanDerWaalsContact O-CB 3.27Å; F1858-W1862 WeakPolarHBondContact O-CB 3.48Å; F1858-W1862 PolarHBondContact O-N 3.15Å; F1858-W1907 HydrophobicContact CD1-CH2 4.24Å; F1858-W1907 HydrophobicContact CD1-CZ3 4.38Å; F1858-W1907 HydrophobicContact CE1-CH2 4.3Å; F1858-W1907 HydrophobicContact CE1-CZ3 4.04Å; F1858-W1909 HydrophobicContact CB-CH2 3.71Å; F1858-W1909 HydrophobicContact CB-CZ2 4.12Å; F1858-W1909 AromaticContact CD1-CH2 3.99Å; F1858-W1909 HydrophobicContact CD1-CH2 3.99Å; F1858-W1909 HydrophobicContact CD1-CZ3 4.21Å; F1858-W1909 HydrophobicContact CD2-CH2 4.17Å; F1858-W1909 AromaticContact CG-CH2 3.67Å; F1858-W1909 HydrophobicContact CG-CH2 3.67Å; F1858-W1909 HydrophobicContact CG-CZ3 4.34Å; F1858-I1920 HydrophobicContact CE1-CD1 4.37Å
1859L84.1Confident80.1Confident28 Ų2837.4 Ų37.415%0.14720%0.196CC..Hα-helixtrans-64.3-42.4175.7-73.6170.4000112.1L1855 N1856 W1857 W1862 N1863 P1917 I1920L1855-L1859 HydrophobicContact CD1-CD1 4.13Å; L1855-L1859 HydrophobicContact CD1-CG 4.17Å; L1855-L1859 HydrophobicContact CG-CD1 4.22Å; L1855-L1859 WeakPolarHBondContact O-CG 3.48Å; L1855-L1859 PolarHBondContact O-N 2.75Å; N1856-L1859 PolarHBondContact O-N 3.03Å; W1857-L1859 VanDerWaalsContact C-N 3.35Å; W1857-L1859 PolarHBondContact O-N 3.02Å; L1859-W1862 PolarHBondContact O-N 2.87Å; L1859-N1863 WeakPolarHBondContact O-CB 3.24Å; L1859-N1863 PolarHBondContact O-N 3.2Å; L1859-N1863 PolarHBondContact O-ND2 3.46Å; L1859-P1917 HydrophobicContact CD1-CB 4.12Å; L1859-P1917 HydrophobicContact CD1-CG 3.89Å; L1859-P1917 HydrophobicContact CD2-CB 3.69Å; L1859-P1917 HydrophobicContact CD2-CG 3.89Å; L1859-P1917 HydrophobicContact CG-CG 4.39Å; L1859-I1920 HydrophobicContact CD2-CD1 3.72Å; L1859-I1920 HydrophobicContact CD2-CG1 3.67Å
1860D83Confident79.6Confident94 Ų9437.9 Ų37.950%0.50320%0.198SC..Hα-helixtrans-68.9-38.6176.2-78.2-36.4000111.9N1856 W1857 N1864N1856-D1860 PolarHBondContact O-N 3.37Å; W1857-D1860 PolarHBondContact O-N 2.87Å; D1860-N1864 WeakPolarHBondContact CA-ND2 3.33Å; D1860-N1864 VanDerWaalsContact O-CB 3.22Å; D1860-N1864 WeakPolarHBondContact O-CB 3.04Å; D1860-N1864 PolarHBondContact O-N 3.16Å; D1860-N1864 PolarHBondContact O-ND2 3.26Å; D1860-N1864 PolarHBondContact OD1-ND2 3.46Å
1861L85.4Confident78.9Confident10 Ų1038.6 Ų38.65%0.05220%0.2CC..Hα-helixtrans-60.5-47.7172.6178.368.6000111.7T1843 F1844 W1857 F1858 M1865 L1866T1843-L1861 HydrophobicContact CG2-CD1 3.5Å; F1844-L1861 HydrophobicContact CD1-CD2 4.47Å; F1844-L1861 HydrophobicContact CE1-CD2 3.93Å; F1844-L1861 HydrophobicContact CZ-CD2 3.97Å; W1857-L1861 HydrophobicContact CH2-CD2 3.62Å; W1857-L1861 HydrophobicContact CZ2-CD2 3.76Å; W1857-L1861 HydrophobicContact CZ3-CD2 4.23Å; W1857-L1861 WeakPolarHBondContact O-CB 3.49Å; W1857-L1861 PolarHBondContact O-N 2.86Å; F1858-L1861 PolarHBondContact O-N 3.34Å; L1861-M1865 HydrophobicContact CD1-CB 4.19Å; L1861-M1865 WeakPolarHBondContact O-CB 3.38Å; L1861-M1865 PolarHBondContact O-N 3.07Å; L1861-M1865 VanDerWaalsContact O-N 3.12Å; L1861-L1866 HydrophobicContact CD1-CG 4.44Å; L1861-L1866 HydrophobicContact CD2-CD1 4.11Å; L1861-L1866 HydrophobicContact CG-CD1 3.87Å; L1861-L1866 HydrophobicContact CG-CG 4.12Å; L1861-L1866 PolarHBondContact O-N 3.29Å
1862W83.2Confident78.4Confident17 Ų1741.5 Ų41.56%0.06421%0.21CC..Iπ-helixtrans-62.7-54.6-179.6-176.8-103.3000111.3F1819 F1858 L1859 L1866 V1867 L1900 I1903F1819-W1862 HydrophobicContact CE2-CE3 4.39Å; F1819-W1862 AromaticContact CE2-CZ3 3.88Å; F1819-W1862 HydrophobicContact CE2-CZ3 3.88Å; F1819-W1862 AromaticContact CZ-CE3 3.9Å; F1819-W1862 HydrophobicContact CZ-CE3 3.9Å; F1819-W1862 AromaticContact CZ-CZ3 3.74Å; F1819-W1862 HydrophobicContact CZ-CZ3 3.74Å; F1858-W1862 HydrophobicContact CE1-CB 4.39Å; F1858-W1862 HydrophobicContact CZ-CE3 4.35Å; F1858-W1862 VanDerWaalsContact O-CB 3.27Å; F1858-W1862 WeakPolarHBondContact O-CB 3.48Å; F1858-W1862 PolarHBondContact O-N 3.15Å; L1859-W1862 PolarHBondContact O-N 2.87Å; W1862-L1866 HydrophobicContact CE3-CB 4.26Å; W1862-L1866 HydrophobicContact CE3-CD1 3.93Å; W1862-V1867 HydrophobicContact CD2-CG2 4.13Å; W1862-V1867 HydrophobicContact CG-CG2 4.27Å; W1862-V1867 HydrophobicContact CZ2-CG2 4.17Å; W1862-V1867 VanDerWaalsContact O-CB 3.29Å; W1862-V1867 WeakPolarHBondContact O-CB 3.49Å; W1862-V1867 VanDerWaalsContact O-CG2 3.3Å; W1862-V1867 WeakPolarHBondContact O-CG2 3.43Å; W1862-V1867 PolarHBondContact O-N 3.27Å; W1862-L1900 HydrophobicContact CZ2-CD1 4.1Å; W1862-I1903 HydrophobicContact CH2-CD1 3.7Å; W1862-I1903 HydrophobicContact CZ2-CD1 4.28Å; W1862-I1903 HydrophobicContact CZ3-CD1 3.86Å
1863N78Confident77.6Confident31 Ų3140.6 Ų40.617%0.16621%0.207CC..Iπ-helixtrans-71.8-38.2-173.5-73.3-72.3000113.5L1859 P1868 S1919L1859-N1863 WeakPolarHBondContact O-CB 3.24Å; L1859-N1863 PolarHBondContact O-N 3.2Å; L1859-N1863 PolarHBondContact O-ND2 3.46Å; N1863-P1868 WeakPolarHBondContact O-CD 3.25Å; N1863-S1919 PolarHBondContact OD1-O 3.15Å
1864N76.5Confident76.5Confident102 Ų10239.1 Ų39.155%0.54520%0.199SC..Iπ-helixtrans-101.7-20.3-169-52.2-55.6000114D1860D1860-N1864 WeakPolarHBondContact CA-ND2 3.33Å; D1860-N1864 VanDerWaalsContact O-CB 3.22Å; D1860-N1864 WeakPolarHBondContact O-CB 3.04Å; D1860-N1864 PolarHBondContact O-N 3.16Å; D1860-N1864 PolarHBondContact O-ND2 3.26Å; D1860-N1864 PolarHBondContact OD1-ND2 3.46Å
1865M75.8Confident75Confident57 Ų5745.6 Ų45.628%0.28123%0.227SC..Iπ-helixtrans-118.1-61.2179.7-71.2-72.2-70.300112.6F1236 L1861 P1868 I1869F1236-M1865 HydrophobicContact CB-CE 4.23Å; F1236-M1865 HydrophobicContact CD1-CE 4.43Å; F1236-M1865 HydrophobicContact CD2-CE 4.22Å; F1236-M1865 HydrophobicContact CG-CE 4.03Å; L1861-M1865 HydrophobicContact CD1-CB 4.19Å; L1861-M1865 WeakPolarHBondContact O-CB 3.38Å; L1861-M1865 PolarHBondContact O-N 3.07Å; L1861-M1865 VanDerWaalsContact O-N 3.12Å; M1865-P1868 WeakPolarHBondContact O-CD 3.43Å; M1865-I1869 HydrophobicContact CE-CD1 4.38Å; M1865-I1869 WeakPolarHBondContact O-CD1 3.36Å; M1865-I1869 VanDerWaalsContact O-CG1 3.25Å; M1865-I1869 WeakPolarHBondContact O-CG1 3.48Å; M1865-I1869 PolarHBondContact O-N 2.87Å; M1865-I1869 VanDerWaalsContact O-N 3.13Å
1866L79.8Confident73.4Confident6 Ų648.8 Ų48.83%0.03125%0.245CC..Iπ-helixtrans-67.4-50.7-169.6-64.8172.4000112.3F1819 L1823 F1844 L1861 W1862 I1869 L1870F1819-L1866 HydrophobicContact CE1-CD1 3.98Å; F1819-L1866 HydrophobicContact CZ-CD1 3.88Å; L1823-L1866 HydrophobicContact CD1-CD1 3.93Å; L1823-L1866 HydrophobicContact CD1-CD2 3.83Å; F1844-L1866 HydrophobicContact CZ-CD1 4.41Å; L1861-L1866 HydrophobicContact CD1-CG 4.44Å; L1861-L1866 HydrophobicContact CD2-CD1 4.11Å; L1861-L1866 HydrophobicContact CG-CD1 3.87Å; L1861-L1866 HydrophobicContact CG-CG 4.12Å; L1861-L1866 PolarHBondContact O-N 3.29Å; W1862-L1866 HydrophobicContact CE3-CB 4.26Å; W1862-L1866 HydrophobicContact CE3-CD1 3.93Å; L1866-I1869 PolarHBondContact O-N 3.46Å; L1866-L1870 WeakPolarHBondContact O-CB 3.09Å; L1866-L1870 VanDerWaalsContact O-CG 3.28Å; L1866-L1870 WeakPolarHBondContact O-CG 3.4Å; L1866-L1870 PolarHBondContact O-N 3.28Å
1867V76.7Confident72Confident12 Ų1247.8 Ų47.87%0.07324%0.239CC..Hα-helixtrans-58.2-51.4178162.70000111.4W1862 I1869 L1870 F1871 P1923 I1925W1862-V1867 HydrophobicContact CD2-CG2 4.13Å; W1862-V1867 HydrophobicContact CG-CG2 4.27Å; W1862-V1867 HydrophobicContact CZ2-CG2 4.17Å; W1862-V1867 VanDerWaalsContact O-CB 3.29Å; W1862-V1867 WeakPolarHBondContact O-CB 3.49Å; W1862-V1867 VanDerWaalsContact O-CG2 3.3Å; W1862-V1867 WeakPolarHBondContact O-CG2 3.43Å; W1862-V1867 PolarHBondContact O-N 3.27Å; V1867-I1869 PolarHBondContact O-N 3.01Å; V1867-L1870 PolarHBondContact O-N 3.49Å; V1867-F1871 HydrophobicContact CG1-CD2 3.82Å; V1867-F1871 HydrophobicContact CG1-CE2 4.07Å; V1867-F1871 WeakPolarHBondContact O-CD2 3.49Å; V1867-F1871 PolarHBondContact O-N 3.14Å; V1867-P1923 HydrophobicContact CG1-CB 3.8Å; V1867-P1923 HydrophobicContact CG2-CB 4.24Å; V1867-I1925 HydrophobicContact CG1-CG1 4.39Å
1868P70.9Confident69.8Low64 Ų6449 Ų4942%0.41625%0.251SS..Hα-helixtrans-58.4-38.4176.7-30.138000115N1863 M1865 K1872N1863-P1868 WeakPolarHBondContact O-CD 3.25Å; M1865-P1868 WeakPolarHBondContact O-CD 3.43Å; P1868-K1872 WeakPolarHBondContact O-CB 3.27Å; P1868-K1872 PolarHBondContact O-N 2.86Å
1869I68.6Low67.8Low40 Ų4053.1 Ų53.121%0.20528%0.276CS..Hα-helixtrans-68.1-52.8177.9-66.9165.4000110.1F1839 M1865 L1866 V1867 F1871 K1872 D1873F1839-I1869 HydrophobicContact CE1-CG2 3.88Å; F1839-I1869 HydrophobicContact CZ-CG2 4.25Å; M1865-I1869 HydrophobicContact CE-CD1 4.38Å; M1865-I1869 WeakPolarHBondContact O-CD1 3.36Å; M1865-I1869 VanDerWaalsContact O-CG1 3.25Å; M1865-I1869 WeakPolarHBondContact O-CG1 3.48Å; M1865-I1869 PolarHBondContact O-N 2.87Å; M1865-I1869 VanDerWaalsContact O-N 3.13Å; L1866-I1869 PolarHBondContact O-N 3.46Å; V1867-I1869 PolarHBondContact O-N 3.01Å; I1869-F1871 VanDerWaalsContact C-N 3.35Å; I1869-F1871 PolarHBondContact O-N 2.96Å; I1869-K1872 WeakPolarHBondContact O-CB 3.28Å; I1869-K1872 PolarHBondContact O-N 2.89Å; I1869-D1873 WeakPolarHBondContact CG2-OD2 3.47Å; I1869-D1873 PolarHBondContact O-N 3.24Å
1870L70Confident65.9Low13 Ų1356.6 Ų56.67%0.06830%0.302CS..Hα-helixtrans-54-49.9178.9-69.2166.9000111.1L1823 I1826 F1839 L1866 V1867 K1872 D1873 I1874 L1896L1823-L1870 HydrophobicContact CD2-CD1 4.35Å; I1826-L1870 HydrophobicContact CD1-CD2 3.89Å; I1826-L1870 HydrophobicContact CG2-CD2 4.37Å; F1839-L1870 HydrophobicContact CZ-CD2 4.1Å; L1866-L1870 WeakPolarHBondContact O-CB 3.09Å; L1866-L1870 VanDerWaalsContact O-CG 3.28Å; L1866-L1870 WeakPolarHBondContact O-CG 3.4Å; L1866-L1870 PolarHBondContact O-N 3.28Å; V1867-L1870 PolarHBondContact O-N 3.49Å; L1870-K1872 VanDerWaalsContact C-N 3.34Å; L1870-K1872 PolarHBondContact O-N 3.03Å; L1870-D1873 PolarHBondContact O-N 2.8Å; L1870-I1874 WeakPolarHBondContact O-CB 3.29Å; L1870-I1874 VanDerWaalsContact O-CD1 3.25Å; L1870-I1874 WeakPolarHBondContact O-CD1 3.37Å; L1870-I1874 WeakPolarHBondContact O-CG1 3.17Å; L1870-I1874 PolarHBondContact O-N 3.41Å; L1870-I1874 VanDerWaalsContact O-N 3.12Å; L1870-L1896 HydrophobicContact CD1-CD2 4.07Å; L1870-L1896 HydrophobicContact CD2-CD2 4.5Å
1871F65.3Low63.7Low68 Ų6856.3 Ų56.330%0.29830%0.304SS..Hα-helixtrans-68.2-27.4177.8-81.9-78.1000114.2V1867 I1869 K1875 F1893 I1925V1867-F1871 HydrophobicContact CG1-CD2 3.82Å; V1867-F1871 HydrophobicContact CG1-CE2 4.07Å; V1867-F1871 WeakPolarHBondContact O-CD2 3.49Å; V1867-F1871 PolarHBondContact O-N 3.14Å; I1869-F1871 VanDerWaalsContact C-N 3.35Å; I1869-F1871 PolarHBondContact O-N 2.96Å; F1871-K1875 VanDerWaalsContact O-CB 3.31Å; F1871-K1875 WeakPolarHBondContact O-CB 3.09Å; F1871-K1875 PolarHBondContact O-N 2.99Å; F1871-F1893 HydrophobicContact CE1-CE1 4.2Å; F1871-F1893 HydrophobicContact CE1-CZ 4.43Å; F1871-I1925 HydrophobicContact CD1-CD1 4.39Å; F1871-I1925 HydrophobicContact CD2-CD1 3.91Å; F1871-I1925 HydrophobicContact CE1-CD1 4.08Å; F1871-I1925 HydrophobicContact CE2-CD1 3.58Å; F1871-I1925 HydrophobicContact CG-CD1 4.31Å; F1871-I1925 HydrophobicContact CZ-CD1 3.67Å
1872K64.8Low61.1Low91 Ų9163.2 Ų63.240%0.39634%0.338SS..Hα-helixtrans-68.7-44.9174.9-179.8-170.2175.9-163.30111.4P1868 I1869 L1870 K1875 N1876P1868-K1872 WeakPolarHBondContact O-CB 3.27Å; P1868-K1872 PolarHBondContact O-N 2.86Å; I1869-K1872 WeakPolarHBondContact O-CB 3.28Å; I1869-K1872 PolarHBondContact O-N 2.89Å; L1870-K1872 VanDerWaalsContact C-N 3.34Å; L1870-K1872 PolarHBondContact O-N 3.03Å; K1872-K1875 WeakPolarHBondContact O-CB 3.45Å; K1872-K1875 PolarHBondContact O-N 2.71Å; K1872-N1876 PolarHBondContact O-N 3.45Å; K1872-N1876 PolarHBondContact O-ND2 3.23Å
1873D57.8Low59Low60 Ų6068.3 Ų68.332%0.32137%0.373SS..Hα-helixtrans-73-36.1-177.2-62.5-31000111.4I1869 L1870 K1875 N1876 I1877I1869-D1873 WeakPolarHBondContact CG2-OD2 3.47Å; I1869-D1873 PolarHBondContact O-N 3.24Å; L1870-D1873 PolarHBondContact O-N 2.8Å; D1873-K1875 VanDerWaalsContact C-N 3.33Å; D1873-K1875 PolarHBondContact O-N 3.25Å; D1873-N1876 WeakPolarHBondContact O-CB 3.37Å; D1873-N1876 PolarHBondContact O-N 3.22Å; D1873-I1877 WeakPolarHBondContact O-CG1 3.11Å; D1873-I1877 PolarHBondContact O-N 3.1Å; D1873-I1877 VanDerWaalsContact O-N 3.09Å
1874I56.7Low57Low16 Ų1672.7 Ų72.78%0.08240%0.401CS..Hα-helixtrans-58.6-45.2168.1-64.8167.6000110.8L1870 N1876 I1877 T1878 L1889 I1892 L1896L1870-I1874 WeakPolarHBondContact O-CB 3.29Å; L1870-I1874 VanDerWaalsContact O-CD1 3.25Å; L1870-I1874 WeakPolarHBondContact O-CD1 3.37Å; L1870-I1874 WeakPolarHBondContact O-CG1 3.17Å; L1870-I1874 PolarHBondContact O-N 3.41Å; L1870-I1874 VanDerWaalsContact O-N 3.12Å; I1874-N1876 VanDerWaalsContact C-N 3.33Å; I1874-N1876 PolarHBondContact O-N 3.23Å; I1874-I1877 PolarHBondContact O-N 2.79Å; I1874-T1878 PolarHBondContact O-N 2.85Å; I1874-L1889 HydrophobicContact CG2-CD2 4.04Å; I1874-I1892 HydrophobicContact CB-CG2 4.4Å; I1874-I1892 HydrophobicContact CD1-CG2 3.3Å; I1874-I1892 HydrophobicContact CG1-CD1 4.36Å; I1874-I1892 HydrophobicContact CG1-CG2 3.46Å; I1874-I1892 VanDerWaalsContact CG1-CG2 3.46Å; I1874-I1892 HydrophobicContact CG2-CD1 4.32Å; I1874-I1892 HydrophobicContact CG2-CG2 4.06Å; I1874-L1896 HydrophobicContact CD1-CD1 3.55Å; I1874-L1896 HydrophobicContact CD1-CG 4.44Å
1875K54.2Low55.1Low136 Ų13675.2 Ų75.259%0.59141%0.407SS*.Hα-helixtrans-61.9-39.7176.1-175.2178.7179.9-178.60111.9F1871 K1872 D1873 I1877 T1878F1871-K1875 VanDerWaalsContact O-CB 3.31Å; F1871-K1875 WeakPolarHBondContact O-CB 3.09Å; F1871-K1875 PolarHBondContact O-N 2.99Å; K1872-K1875 WeakPolarHBondContact O-CB 3.45Å; K1872-K1875 PolarHBondContact O-N 2.71Å; D1873-K1875 VanDerWaalsContact C-N 3.33Å; D1873-K1875 PolarHBondContact O-N 3.25Å; K1875-I1877 PolarHBondContact O-N 3.37Å; K1875-T1878 PolarHBondContact O-N 3.37Å; K1875-T1878 PolarHBondContact O-OG1 3.1Å
1876N49.6Very low53.3Low71 Ų7180.4 Ų80.438%0.3843%0.428SS..Hα-helixtrans-58.8-48.5175.8-68.5-29.6000111.1K1872 D1873 I1874 T1878 T1879 S1880K1872-N1876 PolarHBondContact O-N 3.45Å; K1872-N1876 PolarHBondContact O-ND2 3.23Å; D1873-N1876 WeakPolarHBondContact O-CB 3.37Å; D1873-N1876 PolarHBondContact O-N 3.22Å; I1874-N1876 VanDerWaalsContact C-N 3.33Å; I1874-N1876 PolarHBondContact O-N 3.23Å; N1876-T1878 VanDerWaalsContact C-N 3.27Å; N1876-T1878 PolarHBondContact O-N 3.24Å; N1876-T1879 PolarHBondContact O-N 3.24Å; N1876-T1879 PolarHBondContact O-OG1 3.44Å; N1876-S1880 PolarHBondContact O-N 3.24Å
1877I53Low51.4Low47 Ų4787.2 Ų87.224%0.24146%0.46CS..Hα-helixtrans-54.3-40.7176.3-65.7165.7000111.5D1873 I1874 K1875 T1879 I1892D1873-I1877 WeakPolarHBondContact O-CG1 3.11Å; D1873-I1877 PolarHBondContact O-N 3.1Å; D1873-I1877 VanDerWaalsContact O-N 3.09Å; I1874-I1877 PolarHBondContact O-N 2.79Å; K1875-I1877 PolarHBondContact O-N 3.37Å; I1877-T1879 PolarHBondContact O-N 3.48Å; I1877-T1879 VanDerWaalsContact O-N 3.15Å; I1877-I1892 HydrophobicContact CD1-CD1 4.03Å; I1877-I1892 HydrophobicContact CG2-CD1 4.43Å
1878T44.6Very low50.3Low67 Ų6789.1 Ų89.141%0.41147%0.473SS..Hα-helixtrans-67.8-10.4177.764.80000115.6I1874 K1875 N1876 L1889I1874-T1878 PolarHBondContact O-N 2.85Å; K1875-T1878 PolarHBondContact O-N 3.37Å; K1875-T1878 PolarHBondContact O-OG1 3.1Å; N1876-T1878 VanDerWaalsContact C-N 3.27Å; N1876-T1878 PolarHBondContact O-N 3.24Å; T1878-L1889 HydrophobicContact CG2-CD1 3.81Å; T1878-L1889 HydrophobicContact CG2-CD2 3.6Å; T1878-L1889 HydrophobicContact CG2-CG 3.93Å
1879T45.9Very low49.2Very low86 Ų8688.6 Ų88.653%0.52847%0.466SS..Hα-helixtrans-115-7-172.662.50000115.3N1876 I1877N1876-T1879 PolarHBondContact O-N 3.24Å; N1876-T1879 PolarHBondContact O-OG1 3.44Å; I1877-T1879 PolarHBondContact O-N 3.48Å; I1877-T1879 VanDerWaalsContact O-N 3.15Å
1880S44.1Very low48.7Very low100 Ų10092 Ų9270%0.69949%0.485SS*.Hα-helixtrans-106-9.9-179.261.10000114.7N1876N1876-S1880 PolarHBondContact O-N 3.24Å
1881T36.8Very low48Very low88 Ų8894.1 Ų94.154%0.5450%0.501SS..SBendtrans-106.2133.2179.259.40000112.3
1882M31.9Very low47.8Very low156 Ų15691 Ų9177%0.76849%0.487SS*.  trans-53.4152.2166.3-76.4-69178.600111.5T1884M1882-T1884 PolarHBondContact O-N 3.08Å
1883P37.8Very low47.7Very low123 Ų12390.5 Ų90.580%0.79949%0.485SS*.THydrogen-bonded Turntrans-77.944.2-165.533.1-38.6000114.7
1884T35.4Very low48.2Very low123 Ų12394.1 Ų94.176%0.75550%0.498SS*.THydrogen-bonded Turntrans-114.7-1.8-171.753.50000115M1882M1882-T1884 PolarHBondContact O-N 3.08Å
1885K36.7Very low48.7Very low155 Ų15595.1 Ų95.167%0.67451%0.505SS*.  trans-134110.8167.5-68.7-167.1177-171.30111.5
1886K39.5Very low49.5Very low166 Ų16689.7 Ų89.772%0.72248%0.482SS*.  trans-86.5-11.3176.5-69.3-176.1177.5179.80114
1887E39.1Very low50.6Low149 Ų14990.5 Ų90.570%0.69649%0.487SS*.Hα-helixtrans-67.3-39.9-172.9-60.9176.2132.200116.5L1889 N1890 S1891E1887-L1889 PolarHBondContact O-N 2.7Å; E1887-N1890 PolarHBondContact O-N 3.15Å; E1887-S1891 PolarHBondContact O-N 2.9Å
1888P52.8Low51.6Low52 Ų5292.8 Ų92.834%0.33850%0.499SS..Hα-helixtrans-66.5-34.6-16824.4-33.4000113.2N1890 S1891 I1892P1888-N1890 VanDerWaalsContact C-N 3.27Å; P1888-N1890 PolarHBondContact O-N 2.81Å; P1888-S1891 PolarHBondContact O-N 3.3Å; P1888-S1891 PolarHBondContact O-OG 3.4Å; P1888-I1892 VanDerWaalsContact O-CG1 3.29Å; P1888-I1892 WeakPolarHBondContact O-CG1 3.12Å; P1888-I1892 PolarHBondContact O-N 2.93Å
1889L49.3Very low53.1Low53 Ų5390.2 Ų90.228%0.27748%0.483SS..Hα-helixtrans-59-38.6177.2-90.1175.9000112.7I1874 T1878 E1887 I1892 F1893I1874-L1889 HydrophobicContact CG2-CD2 4.04Å; T1878-L1889 HydrophobicContact CG2-CD1 3.81Å; T1878-L1889 HydrophobicContact CG2-CD2 3.6Å; T1878-L1889 HydrophobicContact CG2-CG 3.93Å; E1887-L1889 PolarHBondContact O-N 2.7Å; L1889-I1892 PolarHBondContact O-N 3.04Å; L1889-F1893 HydrophobicContact CD2-CE2 4.26Å; L1889-F1893 WeakPolarHBondContact O-CD2 3.42Å; L1889-F1893 PolarHBondContact O-N 3.11Å
1890N57.4Low54.6Low111 Ų11188.1 Ų88.159%0.59447%0.468SS*.Hα-helixtrans-72.6-31.3179.7-76.5-4.5000112.2E1887 P1888 K1894E1887-N1890 PolarHBondContact O-N 3.15Å; P1888-N1890 VanDerWaalsContact C-N 3.27Å; P1888-N1890 PolarHBondContact O-N 2.81Å; N1890-K1894 VanDerWaalsContact O-CB 3.26Å; N1890-K1894 WeakPolarHBondContact O-CB 3.5Å; N1890-K1894 PolarHBondContact O-N 3.38Å
1891S55.9Low56.1Low59 Ų5984.5 Ų84.541%0.41345%0.446SS..Hα-helixtrans-70.2-41.417264.90000111.4E1887 P1888 K1894 T1895E1887-S1891 PolarHBondContact O-N 2.9Å; P1888-S1891 PolarHBondContact O-N 3.3Å; P1888-S1891 PolarHBondContact O-OG 3.4Å; S1891-K1894 PolarHBondContact O-N 2.78Å; S1891-T1895 PolarHBondContact O-N 3.14Å; S1891-T1895 PolarHBondContact O-OG1 2.96Å; S1891-T1895 VanDerWaalsContact O-OG1 3.1Å
1892I59.7Low58.4Low2 Ų282.5 Ų82.51%0.0143%0.429CS..Hα-helixtrans-55.1-56.3173.5-66.6174.8000111.3L1830 I1874 I1877 P1888 L1889 K1894 T1895 L1896L1830-I1892 HydrophobicContact CD1-CD1 4.38Å; L1830-I1892 HydrophobicContact CD1-CG1 3.76Å; L1830-I1892 HydrophobicContact CD1-CG2 4.47Å; L1830-I1892 HydrophobicContact CD2-CD1 4.38Å; L1830-I1892 HydrophobicContact CD2-CG1 3.48Å; L1830-I1892 VanDerWaalsContact CD2-CG1 3.48Å; L1830-I1892 HydrophobicContact CG-CG1 4.25Å; I1874-I1892 HydrophobicContact CB-CG2 4.4Å; I1874-I1892 HydrophobicContact CD1-CG2 3.3Å; I1874-I1892 HydrophobicContact CG1-CD1 4.36Å; I1874-I1892 HydrophobicContact CG1-CG2 3.46Å; I1874-I1892 VanDerWaalsContact CG1-CG2 3.46Å; I1874-I1892 HydrophobicContact CG2-CD1 4.32Å; I1874-I1892 HydrophobicContact CG2-CG2 4.06Å; I1877-I1892 HydrophobicContact CD1-CD1 4.03Å; I1877-I1892 HydrophobicContact CG2-CD1 4.43Å; P1888-I1892 VanDerWaalsContact O-CG1 3.29Å; P1888-I1892 WeakPolarHBondContact O-CG1 3.12Å; P1888-I1892 PolarHBondContact O-N 2.93Å; L1889-I1892 PolarHBondContact O-N 3.04Å; I1892-K1894 VanDerWaalsContact C-N 3.26Å; I1892-K1894 PolarHBondContact O-N 3.28Å; I1892-T1895 PolarHBondContact O-N 2.83Å; I1892-T1895 VanDerWaalsContact O-N 3.14Å; I1892-L1896 PolarHBondContact O-N 3.48Å
1893F64Low60.8Low81 Ų8175.1 Ų75.136%0.35539%0.393SS..Hα-helixtrans-62.8-34.5-178.7-86.4-71.6000111.8F1871 L1889 N1897F1871-F1893 HydrophobicContact CE1-CE1 4.2Å; F1871-F1893 HydrophobicContact CE1-CZ 4.43Å; L1889-F1893 HydrophobicContact CD2-CE2 4.26Å; L1889-F1893 WeakPolarHBondContact O-CD2 3.42Å; L1889-F1893 PolarHBondContact O-N 3.11Å; F1893-N1897 VanDerWaalsContact O-CB 3.29Å; F1893-N1897 WeakPolarHBondContact O-CB 3.03Å; F1893-N1897 PolarHBondContact O-N 3.14Å; F1893-N1897 PolarHBondContact O-ND2 2.95Å
1894K67.8Low62.7Low136 Ų13671.9 Ų71.959%0.59137%0.371SS*.Hα-helixtrans-64.6-44.7172.5-170.2177.6-177.5-176.30111.9N1890 S1891 I1892 N1897 N1898N1890-K1894 VanDerWaalsContact O-CB 3.26Å; N1890-K1894 WeakPolarHBondContact O-CB 3.5Å; N1890-K1894 PolarHBondContact O-N 3.38Å; S1891-K1894 PolarHBondContact O-N 2.78Å; I1892-K1894 VanDerWaalsContact C-N 3.26Å; I1892-K1894 PolarHBondContact O-N 3.28Å; K1894-N1897 PolarHBondContact O-N 3.31Å; K1894-N1898 WeakPolarHBondContact O-CB 3.13Å; K1894-N1898 PolarHBondContact O-N 2.87Å; K1894-N1898 PolarHBondContact O-OD1 3.32Å
1895T67.5Low64.8Low36 Ų3671.4 Ų71.422%0.22136%0.362CS..Hα-helixtrans-64.9-41.7178-59.20000112I1826 S1891 I1892 N1898 I1899I1826-T1895 HydrophobicContact CG1-CG2 4.18Å; S1891-T1895 PolarHBondContact O-N 3.14Å; S1891-T1895 PolarHBondContact O-OG1 2.96Å; S1891-T1895 VanDerWaalsContact O-OG1 3.1Å; I1892-T1895 PolarHBondContact O-N 2.83Å; I1892-T1895 VanDerWaalsContact O-N 3.14Å; T1895-N1898 PolarHBondContact O-N 3.27Å; T1895-I1899 HydrophobicContact CG2-CD1 4.31Å; T1895-I1899 PolarHBondContact O-N 3.29Å
1896L70.3Confident66.9Low22 Ų2266 Ų6612%0.11534%0.342CS..Hα-helixtrans-62-44.3172.5-76-177.9000112.2I1826 L1870 I1874 I1892 N1898 I1899 L1900I1826-L1896 HydrophobicContact CD1-CD2 4.23Å; L1870-L1896 HydrophobicContact CD1-CD2 4.07Å; L1870-L1896 HydrophobicContact CD2-CD2 4.5Å; I1874-L1896 HydrophobicContact CD1-CD1 3.55Å; I1874-L1896 HydrophobicContact CD1-CG 4.44Å; I1892-L1896 PolarHBondContact O-N 3.48Å; L1896-N1898 VanDerWaalsContact C-N 3.35Å; L1896-I1899 PolarHBondContact O-N 3.15Å; L1896-L1900 WeakPolarHBondContact O-CB 3.16Å; L1896-L1900 PolarHBondContact O-N 3.06Å
1897N73.1Confident68.9Low89 Ų8959.3 Ų59.348%0.47631%0.313SS..Hα-helixtrans-67-35.1177.9-71.5-11.3000112.2F1893 K1894 L1900 G1901F1893-N1897 VanDerWaalsContact O-CB 3.29Å; F1893-N1897 WeakPolarHBondContact O-CB 3.03Å; F1893-N1897 PolarHBondContact O-N 3.14Å; F1893-N1897 PolarHBondContact O-ND2 2.95Å; K1894-N1897 PolarHBondContact O-N 3.31Å; N1897-L1900 PolarHBondContact O-N 3.37Å; N1897-G1901 PolarHBondContact O-N 2.82Å
1898N74.5Confident70.8Confident94 Ų9452.5 Ų52.550%0.50328%0.281SS..Hα-helixtrans-61.7-44.1173.2-71.4-5.4000111.2K1894 T1895 L1896 G1901 W1902K1894-N1898 WeakPolarHBondContact O-CB 3.13Å; K1894-N1898 PolarHBondContact O-N 2.87Å; K1894-N1898 PolarHBondContact O-OD1 3.32Å; T1895-N1898 PolarHBondContact O-N 3.27Å; L1896-N1898 VanDerWaalsContact C-N 3.35Å; N1898-G1901 PolarHBondContact O-N 3.38Å; N1898-W1902 PolarHBondContact O-N 3.42Å
1899I75.7Confident72Confident14 Ų1450.8 Ų50.87%0.07227%0.268CS..Hα-helixtrans-72.3-38.8179.2-72.1170.3000111Q1822 I1826 T1895 L1896 G1901 W1902 I1903Q1822-I1899 HydrophobicContact CB-CD1 4.25Å; Q1822-I1899 HydrophobicContact CB-CG1 4.37Å; Q1822-I1899 WeakPolarHBondContact O-CD1 3.28Å; I1826-I1899 HydrophobicContact CD1-CD1 3.52Å; I1826-I1899 HydrophobicContact CG1-CD1 3.32Å; T1895-I1899 HydrophobicContact CG2-CD1 4.31Å; T1895-I1899 PolarHBondContact O-N 3.29Å; L1896-I1899 PolarHBondContact O-N 3.15Å; I1899-G1901 VanDerWaalsContact C-N 3.29Å; I1899-G1901 PolarHBondContact O-N 3.26Å; I1899-W1902 PolarHBondContact O-N 3.13Å; I1899-I1903 HydrophobicContact CG2-CD1 4.07Å; I1899-I1903 HydrophobicContact CG2-CG1 4.48Å; I1899-I1903 VanDerWaalsContact O-CG1 3.22Å; I1899-I1903 WeakPolarHBondContact O-CG1 3.25Å; I1899-I1903 PolarHBondContact O-N 3.14Å
1900L77.4Confident72.8Confident42 Ų4251.5 Ų51.522%0.2227%0.272CS..Hα-helixtrans-60.3-41.1171.5-166.566.9000111.4W1862 L1896 N1897 I1903 T1904 I1920W1862-L1900 HydrophobicContact CZ2-CD1 4.1Å; L1896-L1900 WeakPolarHBondContact O-CB 3.16Å; L1896-L1900 PolarHBondContact O-N 3.06Å; N1897-L1900 PolarHBondContact O-N 3.37Å; L1900-I1903 PolarHBondContact O-N 3.27Å; L1900-T1904 WeakPolarHBondContact O-CG2 3.27Å; L1900-T1904 PolarHBondContact O-N 3.12Å; L1900-T1904 PolarHBondContact O-OG1 2.94Å; L1900-I1920 HydrophobicContact CD1-CG2 3.61Å
1901G75.7Confident72.5Confident23 Ų2350.3 Ų50.324%0.23727%0.271CS..Hα-helixtrans-60.3-48.4171.300000112.4N1897 N1898 I1899 I1903 T1904 I1905N1897-G1901 PolarHBondContact O-N 2.82Å; N1898-G1901 PolarHBondContact O-N 3.38Å; I1899-G1901 VanDerWaalsContact C-N 3.29Å; I1899-G1901 PolarHBondContact O-N 3.26Å; G1901-I1903 PolarHBondContact O-N 3.5Å; G1901-T1904 WeakPolarHBondContact CA-OG1 3.49Å; G1901-T1904 PolarHBondContact O-N 3.36Å; G1901-T1904 VanDerWaalsContact O-N 3.13Å; G1901-T1904 PolarHBondContact O-OG1 3.07Å; G1901-I1905 WeakPolarHBondContact O-CD1 3.47Å; G1901-I1905 VanDerWaalsContact O-CG1 3.27Å; G1901-I1905 WeakPolarHBondContact O-CG1 3.5Å; G1901-I1905 PolarHBondContact O-N 3.48Å
1902W84.4Confident72Confident47 Ų4753.3 Ų53.318%0.17829%0.286CS..Hα-helixtrans-59.3-43.9175.7-178.288.8000112W1815 E1818 F1819 Q1822 N1898 I1899 T1904 I1905 T1906W1815-W1902 AromaticContact CD1-CH2 3.56Å; W1815-W1902 HydrophobicContact CD2-CH2 4.35Å; W1815-W1902 AromaticContact CE2-CH2 3.75Å; W1815-W1902 AromaticContact CE2-CZ3 3.59Å; W1815-W1902 HydrophobicContact CG-CH2 4.25Å; W1815-W1902 HydrophobicContact CZ2-CH2 4.37Å; W1815-W1902 AromaticContact CZ2-CZ3 3.74Å; W1815-W1902 HydrophobicContact CZ2-CZ3 3.74Å; W1815-W1902 AromaticContact NE1-CH2 3.2Å; W1815-W1902 AromaticContact NE1-CZ2 3.95Å; W1815-W1902 AromaticContact NE1-CZ3 3.35Å; W1815-W1902 VanDerWaalsContact NE1-CZ3 3.35Å; E1818-W1902 HydrophobicContact CB-CH2 4.01Å; E1818-W1902 HydrophobicContact CB-CZ2 3.97Å; F1819-W1902 HydrophobicContact CB-CH2 4.08Å; F1819-W1902 HydrophobicContact CB-CZ3 3.82Å; F1819-W1902 HydrophobicContact CD2-CZ3 4.11Å; F1819-W1902 HydrophobicContact CG-CZ3 4.46Å; Q1822-W1902 VanDerWaalsContact NE2-CD1 3.32Å; Q1822-W1902 VanDerWaalsContact NE2-CD2 3.26Å; Q1822-W1902 VanDerWaalsContact OE1-CD2 3.26Å; N1898-W1902 PolarHBondContact O-N 3.42Å; I1899-W1902 PolarHBondContact O-N 3.13Å; W1902-T1904 VanDerWaalsContact C-N 3.33Å; W1902-T1904 PolarHBondContact O-N 2.85Å; W1902-I1905 PolarHBondContact O-N 3.05Å; W1902-I1905 VanDerWaalsContact O-N 3.15Å; W1902-T1906 HydrophobicContact CD2-CG2 4.14Å; W1902-T1906 HydrophobicContact CG-CG2 4.23Å; W1902-T1906 HydrophobicContact CZ2-CG2 4.13Å; W1902-T1906 WeakPolarHBondContact O-CB 3.32Å; W1902-T1906 PolarHBondContact O-N 3.26Å; W1902-T1906 PolarHBondContact O-OG1 3.29Å
1903I82.8Confident71.5Confident0 Ų059.1 Ų59.10%032%0.316CS..Hα-helixtrans-59-42.4174.3-65.3162.8000110.9W1815 F1819 W1862 I1899 L1900 G1901 I1905 W1907 F1916W1815-I1903 HydrophobicContact CZ2-CB 4.48Å; W1815-I1903 HydrophobicContact CZ2-CG1 4.21Å; W1815-I1903 HydrophobicContact CZ2-CG2 4.2Å; F1819-I1903 HydrophobicContact CD2-CD1 4.3Å; F1819-I1903 HydrophobicContact CD2-CG1 4.17Å; F1819-I1903 HydrophobicContact CE2-CD1 3.74Å; F1819-I1903 HydrophobicContact CE2-CG1 4.12Å; W1862-I1903 HydrophobicContact CH2-CD1 3.7Å; W1862-I1903 HydrophobicContact CZ2-CD1 4.28Å; W1862-I1903 HydrophobicContact CZ3-CD1 3.86Å; I1899-I1903 HydrophobicContact CG2-CD1 4.07Å; I1899-I1903 HydrophobicContact CG2-CG1 4.48Å; I1899-I1903 VanDerWaalsContact O-CG1 3.22Å; I1899-I1903 WeakPolarHBondContact O-CG1 3.25Å; I1899-I1903 PolarHBondContact O-N 3.14Å; L1900-I1903 PolarHBondContact O-N 3.27Å; G1901-I1903 PolarHBondContact O-N 3.5Å; I1903-I1905 VanDerWaalsContact C-N 3.34Å; I1903-I1905 PolarHBondContact O-N 2.92Å; I1903-W1907 HydrophobicContact CG2-CE3 3.74Å; I1903-W1907 HydrophobicContact CG2-CZ3 3.74Å; I1903-W1907 WeakPolarHBondContact O-CB 3.49Å; I1903-W1907 PolarHBondContact O-N 3.45Å; I1903-F1916 HydrophobicContact CG2-CE2 4.2Å; I1903-F1916 HydrophobicContact CG2-CZ 4.23Å
1904T77.3Confident70.8Confident55 Ų5556.9 Ų56.934%0.33731%0.309SS..Hα-helixtrans-69-28.4176.953.60000114L1900 G1901 W1902 F1916L1900-T1904 WeakPolarHBondContact O-CG2 3.27Å; L1900-T1904 PolarHBondContact O-N 3.12Å; L1900-T1904 PolarHBondContact O-OG1 2.94Å; G1901-T1904 WeakPolarHBondContact CA-OG1 3.49Å; G1901-T1904 PolarHBondContact O-N 3.36Å; G1901-T1904 VanDerWaalsContact O-N 3.13Å; G1901-T1904 PolarHBondContact O-OG1 3.07Å; W1902-T1904 VanDerWaalsContact C-N 3.33Å; W1902-T1904 PolarHBondContact O-N 2.85Å; T1904-F1916 HydrophobicContact CG2-CD1 4.42Å; T1904-F1916 HydrophobicContact CG2-CD2 4.46Å; T1904-F1916 HydrophobicContact CG2-CE1 3.74Å; T1904-F1916 HydrophobicContact CG2-CE2 3.79Å; T1904-F1916 HydrophobicContact CG2-CZ 3.38Å
1905I80Confident70.1Confident113 Ų11357.2 Ų57.258%0.57932%0.317SS*.Hα-helixtrans-86.6-35.6-177.6-69.1163.9000111.9G1901 W1902 I1903G1901-I1905 WeakPolarHBondContact O-CD1 3.47Å; G1901-I1905 VanDerWaalsContact O-CG1 3.27Å; G1901-I1905 WeakPolarHBondContact O-CG1 3.5Å; G1901-I1905 PolarHBondContact O-N 3.48Å; W1902-I1905 PolarHBondContact O-N 3.05Å; W1902-I1905 VanDerWaalsContact O-N 3.15Å; I1903-I1905 VanDerWaalsContact C-N 3.34Å; I1903-I1905 PolarHBondContact O-N 2.92Å
1906T81.5Confident69.6Low42 Ų4257.8 Ų57.826%0.25832%0.317SS..Hα-helixtrans-1047.6-172.4610000114.4W1815 W1902 P1908W1815-T1906 VanDerWaalsContact CD1-O 3.23Å; W1815-T1906 PolarHBondContact NE1-O 3.06Å; W1815-T1906 PolarHBondContact NE1-OG1 3.47Å; W1902-T1906 HydrophobicContact CD2-CG2 4.14Å; W1902-T1906 HydrophobicContact CG-CG2 4.23Å; W1902-T1906 HydrophobicContact CZ2-CG2 4.13Å; W1902-T1906 WeakPolarHBondContact O-CB 3.32Å; W1902-T1906 PolarHBondContact O-N 3.26Å; W1902-T1906 PolarHBondContact O-OG1 3.29Å; T1906-P1908 VanDerWaalsContact O-N 3.15Å
1907W80.5Confident69.1Low26 Ų2657.6 Ų57.610%0.09832%0.317CS..  trans-44.1113.3-174.3-166.8-114.3000113.1L1855 F1858 I1903 W1909 F1916 P1917 I1920L1855-W1907 HydrophobicContact CD1-CH2 3.76Å; L1855-W1907 HydrophobicContact CD1-CZ2 3.46Å; L1855-W1907 VanDerWaalsContact CD1-CZ2 3.46Å; F1858-W1907 HydrophobicContact CD1-CH2 4.24Å; F1858-W1907 HydrophobicContact CD1-CZ3 4.38Å; F1858-W1907 HydrophobicContact CE1-CH2 4.3Å; F1858-W1907 HydrophobicContact CE1-CZ3 4.04Å; I1903-W1907 HydrophobicContact CG2-CE3 3.74Å; I1903-W1907 HydrophobicContact CG2-CZ3 3.74Å; I1903-W1907 WeakPolarHBondContact O-CB 3.49Å; I1903-W1907 PolarHBondContact O-N 3.45Å; W1907-W1909 AromaticContact CD2-CE3 3.85Å; W1907-W1909 HydrophobicContact CD2-CE3 3.85Å; W1907-W1909 HydrophobicContact CD2-CZ3 4.32Å; W1907-W1909 AromaticContact CE2-CE3 3.59Å; W1907-W1909 AromaticContact CE3-CE3 3.99Å; W1907-W1909 HydrophobicContact CE3-CE3 3.99Å; W1907-W1909 AromaticContact CE3-CZ3 3.97Å; W1907-W1909 HydrophobicContact CE3-CZ3 3.97Å; W1907-W1909 AromaticContact CH2-CE3 3.63Å; W1907-W1909 HydrophobicContact CH2-CE3 3.63Å; W1907-W1909 AromaticContact CH2-CZ3 3.53Å; W1907-W1909 HydrophobicContact CH2-CZ3 3.53Å; W1907-W1909 HydrophobicContact CZ2-CD2 4.4Å; W1907-W1909 AromaticContact CZ2-CE3 3.51Å; W1907-W1909 HydrophobicContact CZ2-CE3 3.51Å; W1907-W1909 AromaticContact CZ2-CZ3 3.94Å; W1907-W1909 HydrophobicContact CZ2-CZ3 3.94Å; W1907-W1909 AromaticContact CZ3-CE3 3.88Å; W1907-W1909 HydrophobicContact CZ3-CE3 3.88Å; W1907-W1909 AromaticContact CZ3-CZ3 3.56Å; W1907-W1909 HydrophobicContact CZ3-CZ3 3.56Å; W1907-W1909 PolarHBondContact O-N 3.05Å; W1907-F1916 AromaticContact CD2-CD2 3.7Å; W1907-F1916 HydrophobicContact CD2-CD2 3.7Å; W1907-F1916 AromaticContact CD2-CE2 3.7Å; W1907-F1916 HydrophobicContact CD2-CE2 3.7Å; W1907-F1916 AromaticContact CE2-CD2 3.89Å; W1907-F1916 HydrophobicContact CE3-CD2 4.07Å; W1907-F1916 AromaticContact CE3-CE2 3.56Å; W1907-F1916 HydrophobicContact CE3-CE2 3.56Å; W1907-F1916 AromaticContact CG-CD2 3.95Å; W1907-F1916 HydrophobicContact CG-CD2 3.95Å; W1907-F1916 HydrophobicContact CG-CE2 4.22Å; W1907-F1916 HydrophobicContact CH2-CE2 4.44Å; W1907-F1916 HydrophobicContact CZ2-CD2 4.4Å; W1907-F1916 AromaticContact CZ3-CE2 3.97Å; W1907-F1916 HydrophobicContact CZ3-CE2 3.97Å; W1907-P1917 HydrophobicContact CZ2-CG 4.22Å; W1907-I1920 HydrophobicContact CH2-CD1 3.33Å; W1907-I1920 HydrophobicContact CZ2-CD1 4.22Å; W1907-I1920 HydrophobicContact CZ3-CD1 3.65Å
1908P79.5Confident68.4Low5 Ų562 Ų623%0.03233%0.332CS..  trans-82.2-15.3-168.133.1-38.8000113.6Q1811 L1812 W1815 T1906Q1811-P1908 HydrophobicContact CG-CB 4.39Å; L1812-P1908 HydrophobicContact CD1-CB 4.49Å; L1812-P1908 HydrophobicContact CD1-CG 3.9Å; W1815-P1908 HydrophobicContact CB-CB 3.9Å; W1815-P1908 HydrophobicContact CB-CG 4.02Å; W1815-P1908 HydrophobicContact CD2-CB 4.34Å; W1815-P1908 HydrophobicContact CD2-CG 3.54Å; W1815-P1908 HydrophobicContact CE3-CG 3.68Å; W1815-P1908 HydrophobicContact CG-CB 3.93Å; W1815-P1908 HydrophobicContact CG-CG 3.67Å; W1815-P1908 HydrophobicContact CZ3-CG 4.37Å; T1906-P1908 VanDerWaalsContact O-N 3.15Å
1909W78.8Confident67.7Low17 Ų1759.1 Ų59.16%0.06432%0.319CS..SBendtrans-85.2127.1175.1-60.1-84.7000109.8L1812 W1815 S1854 L1855 F1858 W1907 P1911L1812-W1909 HydrophobicContact CD1-CH2 3.89Å; L1812-W1909 HydrophobicContact CD1-CZ2 3.39Å; W1815-W1909 HydrophobicContact CH2-CZ3 4.3Å; W1815-W1909 HydrophobicContact CZ3-CH2 4.01Å; W1815-W1909 HydrophobicContact CZ3-CZ3 4.02Å; S1854-W1909 PolarHBondContact OG-NE1 2.66Å; L1855-W1909 HydrophobicContact CB-CD2 4.18Å; L1855-W1909 HydrophobicContact CB-CG 4.27Å; L1855-W1909 HydrophobicContact CB-CZ2 4.3Å; L1855-W1909 HydrophobicContact CD1-CD2 4.04Å; L1855-W1909 HydrophobicContact CD1-CE3 4.06Å; L1855-W1909 HydrophobicContact CD1-CZ3 4.35Å; F1858-W1909 HydrophobicContact CB-CH2 3.71Å; F1858-W1909 HydrophobicContact CB-CZ2 4.12Å; F1858-W1909 AromaticContact CD1-CH2 3.99Å; F1858-W1909 HydrophobicContact CD1-CH2 3.99Å; F1858-W1909 HydrophobicContact CD1-CZ3 4.21Å; F1858-W1909 HydrophobicContact CD2-CH2 4.17Å; F1858-W1909 AromaticContact CG-CH2 3.67Å; F1858-W1909 HydrophobicContact CG-CH2 3.67Å; F1858-W1909 HydrophobicContact CG-CZ3 4.34Å; W1907-W1909 AromaticContact CD2-CE3 3.85Å; W1907-W1909 HydrophobicContact CD2-CE3 3.85Å; W1907-W1909 HydrophobicContact CD2-CZ3 4.32Å; W1907-W1909 AromaticContact CE2-CE3 3.59Å; W1907-W1909 AromaticContact CE3-CE3 3.99Å; W1907-W1909 HydrophobicContact CE3-CE3 3.99Å; W1907-W1909 AromaticContact CE3-CZ3 3.97Å; W1907-W1909 HydrophobicContact CE3-CZ3 3.97Å; W1907-W1909 AromaticContact CH2-CE3 3.63Å; W1907-W1909 HydrophobicContact CH2-CE3 3.63Å; W1907-W1909 AromaticContact CH2-CZ3 3.53Å; W1907-W1909 HydrophobicContact CH2-CZ3 3.53Å; W1907-W1909 HydrophobicContact CZ2-CD2 4.4Å; W1907-W1909 AromaticContact CZ2-CE3 3.51Å; W1907-W1909 HydrophobicContact CZ2-CE3 3.51Å; W1907-W1909 AromaticContact CZ2-CZ3 3.94Å; W1907-W1909 HydrophobicContact CZ2-CZ3 3.94Å; W1907-W1909 AromaticContact CZ3-CE3 3.88Å; W1907-W1909 HydrophobicContact CZ3-CE3 3.88Å; W1907-W1909 AromaticContact CZ3-CZ3 3.56Å; W1907-W1909 HydrophobicContact CZ3-CZ3 3.56Å; W1907-W1909 PolarHBondContact O-N 3.05Å; W1909-P1911 WeakPolarHBondContact O-CD 3.37Å
1910N64.8Low66.9Low67 Ų6758.5 Ų58.536%0.35832%0.316SS..  trans-59118.4-172.6-172.9-17.8000111.9T1912 I1913 V1914N1910-T1912 PolarHBondContact O-N 3.18Å; N1910-T1912 VanDerWaalsContact O-N 3.14Å; N1910-T1912 PolarHBondContact OD1-N 3.46Å; N1910-T1912 VanDerWaalsContact OD1-N 3.14Å; N1910-T1912 PolarHBondContact OD1-OG1 3.47Å; N1910-I1913 HydrophobicContact CB-CD1 4.38Å; N1910-I1913 HydrophobicContact CB-CG1 4.47Å; N1910-I1913 PolarHBondContact O-N 3.31Å; N1910-V1914 PolarHBondContact O-N 2.94Å
1911P52.4Low65.6Low87 Ų8764.2 Ų64.257%0.56534%0.335SS*.THydrogen-bonded Turntrans-66.5-16.1-174.226.9-36000114W1909 I1913W1909-P1911 WeakPolarHBondContact O-CD 3.37Å; P1911-I1913 VanDerWaalsContact C-N 3.26Å; P1911-I1913 PolarHBondContact O-N 2.89Å
1912T44.6Very low64.4Low121 Ų12170.5 Ų70.574%0.74236%0.358SS*.THydrogen-bonded Turntrans-73.3-18.8173.764.30000113.3N1910N1910-T1912 PolarHBondContact O-N 3.18Å; N1910-T1912 VanDerWaalsContact O-N 3.14Å; N1910-T1912 PolarHBondContact OD1-N 3.46Å; N1910-T1912 VanDerWaalsContact OD1-N 3.14Å; N1910-T1912 PolarHBondContact OD1-OG1 3.47Å
1913I48.5Very low62.7Low125 Ų12570.1 Ų70.164%0.64136%0.361SS*.THydrogen-bonded Turntrans-101.5-39.1-179.9-54.7178.9000110.4N1910 P1911N1910-I1913 HydrophobicContact CB-CD1 4.38Å; N1910-I1913 HydrophobicContact CB-CG1 4.47Å; N1910-I1913 PolarHBondContact O-N 3.31Å; P1911-I1913 VanDerWaalsContact C-N 3.26Å; P1911-I1913 PolarHBondContact O-N 2.89Å
1914V50.6Low60.6Low34 Ų3478.7 Ų78.721%0.20640%0.399CS..SBendtrans-136.7118.1177.7-163.30000111.9L1855 N1910L1855-V1914 HydrophobicContact CD2-CB 4.04Å; L1855-V1914 HydrophobicContact CD2-CG1 3.65Å; L1855-V1914 HydrophobicContact CD2-CG2 4.15Å; N1910-V1914 PolarHBondContact O-N 2.94Å
1915N52.9Low58.9Low142 Ų14279.3 Ų79.376%0.75940%0.399SS*.PPolyproline II helixtrans-57141172.3-76.4-59.4000111.7P1917N1915-P1917 VanDerWaalsContact O-CD 3.31Å; N1915-P1917 WeakPolarHBondContact O-CD 3.35Å; N1915-P1917 VanDerWaalsContact O-N 3.14Å
1916F56Low56.4Low49 Ų4980.3 Ų80.322%0.21541%0.411CS..PPolyproline II helixtrans-54118.3177.7-171.1-89000111.2I1903 T1904 W1907 K1918 I1920 R1921I1903-F1916 HydrophobicContact CG2-CE2 4.2Å; I1903-F1916 HydrophobicContact CG2-CZ 4.23Å; T1904-F1916 HydrophobicContact CG2-CD1 4.42Å; T1904-F1916 HydrophobicContact CG2-CD2 4.46Å; T1904-F1916 HydrophobicContact CG2-CE1 3.74Å; T1904-F1916 HydrophobicContact CG2-CE2 3.79Å; T1904-F1916 HydrophobicContact CG2-CZ 3.38Å; W1907-F1916 AromaticContact CD2-CD2 3.7Å; W1907-F1916 HydrophobicContact CD2-CD2 3.7Å; W1907-F1916 AromaticContact CD2-CE2 3.7Å; W1907-F1916 HydrophobicContact CD2-CE2 3.7Å; W1907-F1916 AromaticContact CE2-CD2 3.89Å; W1907-F1916 HydrophobicContact CE3-CD2 4.07Å; W1907-F1916 AromaticContact CE3-CE2 3.56Å; W1907-F1916 HydrophobicContact CE3-CE2 3.56Å; W1907-F1916 AromaticContact CG-CD2 3.95Å; W1907-F1916 HydrophobicContact CG-CD2 3.95Å; W1907-F1916 HydrophobicContact CG-CE2 4.22Å; W1907-F1916 HydrophobicContact CH2-CE2 4.44Å; W1907-F1916 HydrophobicContact CZ2-CD2 4.4Å; W1907-F1916 AromaticContact CZ3-CE2 3.97Å; W1907-F1916 HydrophobicContact CZ3-CE2 3.97Å; F1916-K1918 PolarHBondContact O-N 3.17Å; F1916-I1920 HydrophobicContact CE1-CB 3.74Å; F1916-I1920 HydrophobicContact CE1-CD1 4.37Å; F1916-I1920 HydrophobicContact CE1-CG2 3.86Å; F1916-I1920 HydrophobicContact CE2-CD1 4.4Å; F1916-I1920 HydrophobicContact CZ-CB 3.9Å; F1916-I1920 HydrophobicContact CZ-CD1 4Å; F1916-I1920 HydrophobicContact CZ-CG2 3.6Å; F1916-R1921 HydrophobicContact CE1-CG 4.14Å
1917P60.8Low54Low18 Ų1882.2 Ų82.212%0.11742%0.419CS..PPolyproline II helixtrans-63.8124.2-170-27.837.3000113.4L1855 L1859 W1907 N1915 S1919 I1920L1855-P1917 HydrophobicContact CD1-CG 4.35Å; L1859-P1917 HydrophobicContact CD1-CB 4.12Å; L1859-P1917 HydrophobicContact CD1-CG 3.89Å; L1859-P1917 HydrophobicContact CD2-CB 3.69Å; L1859-P1917 HydrophobicContact CD2-CG 3.89Å; L1859-P1917 HydrophobicContact CG-CG 4.39Å; W1907-P1917 HydrophobicContact CZ2-CG 4.22Å; N1915-P1917 VanDerWaalsContact O-CD 3.31Å; N1915-P1917 WeakPolarHBondContact O-CD 3.35Å; N1915-P1917 VanDerWaalsContact O-N 3.14Å; P1917-S1919 PolarHBondContact O-N 2.82Å; P1917-S1919 VanDerWaalsContact O-N 3.09Å; P1917-I1920 HydrophobicContact CB-CD1 4.35Å; P1917-I1920 HydrophobicContact CB-CG1 4.44Å; P1917-I1920 HydrophobicContact CG-CD1 4.39Å; P1917-I1920 PolarHBondContact O-N 2.78Å
1918K58.9Low51.5Low180 Ų18086.2 Ų86.278%0.78345%0.446SS*.Hα-helixtrans-55-31.1179.4-68.1-169.8176.7-171.60113.3F1916 I1920 R1921 E1922F1916-K1918 PolarHBondContact O-N 3.17Å; K1918-I1920 PolarHBondContact O-N 3.01Å; K1918-R1921 PolarHBondContact O-N 2.74Å; K1918-R1921 VanDerWaalsContact O-N 3.07Å; K1918-E1922 PolarHBondContact O-N 3.31Å
1919S58Low49.2Very low35 Ų3593.6 Ų93.625%0.24548%0.481CS..Hα-helixtrans-60.8-18.2175.846.80000114.9N1863 P1917 E1922N1863-S1919 PolarHBondContact OD1-O 3.15Å; P1917-S1919 PolarHBondContact O-N 2.82Å; P1917-S1919 VanDerWaalsContact O-N 3.09Å; S1919-E1922 CarbonylContact O-C 3.38Å
1920I59Low47Very low1 Ų1100.1 Ų100.11%0.00552%0.517CS..Hα-helixtrans-80.5-37.2173.7-61.9173.5000110.6F1858 L1859 L1900 W1907 F1916 P1917 K1918F1858-I1920 HydrophobicContact CE1-CD1 4.37Å; L1859-I1920 HydrophobicContact CD2-CD1 3.72Å; L1859-I1920 HydrophobicContact CD2-CG1 3.67Å; L1900-I1920 HydrophobicContact CD1-CG2 3.61Å; W1907-I1920 HydrophobicContact CH2-CD1 3.33Å; W1907-I1920 HydrophobicContact CZ2-CD1 4.22Å; W1907-I1920 HydrophobicContact CZ3-CD1 3.65Å; F1916-I1920 HydrophobicContact CE1-CB 3.74Å; F1916-I1920 HydrophobicContact CE1-CD1 4.37Å; F1916-I1920 HydrophobicContact CE1-CG2 3.86Å; F1916-I1920 HydrophobicContact CE2-CD1 4.4Å; F1916-I1920 HydrophobicContact CZ-CB 3.9Å; F1916-I1920 HydrophobicContact CZ-CD1 4Å; F1916-I1920 HydrophobicContact CZ-CG2 3.6Å; P1917-I1920 HydrophobicContact CB-CD1 4.35Å; P1917-I1920 HydrophobicContact CB-CG1 4.44Å; P1917-I1920 HydrophobicContact CG-CD1 4.39Å; P1917-I1920 PolarHBondContact O-N 2.78Å; K1918-I1920 PolarHBondContact O-N 3.01Å
1921R51.3Low45.6Very low162 Ų16298.7 Ų98.761%0.61151%0.512SS*.Hα-helixtrans-73-39.7174.2-65.1-170.7179.9-164.6-1.1112.2F1916 K1918 P1923F1916-R1921 HydrophobicContact CE1-CG 4.14Å; K1918-R1921 PolarHBondContact O-N 2.74Å; K1918-R1921 VanDerWaalsContact O-N 3.07Å; R1921-P1923 WeakPolarHBondContact O-CD 3.4Å
1922E50.9Low44.7Very low154 Ų15498 Ų9872%0.7250%0.503SS*.SBendtrans-116.582.6177.2-72.5173.5-148.900109.8K1918 S1919 K1924K1918-E1922 PolarHBondContact O-N 3.31Å; S1919-E1922 CarbonylContact O-C 3.38Å; E1922-K1924 PolarHBondContact O-N 2.92Å
1923P48.3Very low44Very low39 Ų3996.3 Ų96.325%0.25350%0.496SS..  trans-58.5138.4171.122.8-32.3000110.3V1867 R1921 I1925V1867-P1923 HydrophobicContact CG1-CB 3.8Å; V1867-P1923 HydrophobicContact CG2-CB 4.24Å; R1921-P1923 WeakPolarHBondContact O-CD 3.4Å; P1923-I1925 HydrophobicContact CB-CG1 4.03Å; P1923-I1925 HydrophobicContact CG-CD1 4.12Å; P1923-I1925 HydrophobicContact CG-CG1 4.05Å; P1923-I1925 PolarHBondContact O-N 2.93Å
1924K38.5Very low43.2Very low180 Ų18098.4 Ų98.478%0.78351%0.505SS*.  trans-74.356.4179.9-70.5-176.2177.3176.20112.9E1922 T1926E1922-K1924 PolarHBondContact O-N 2.92Å; K1924-T1926 PolarHBondContact O-N 3.05Å; K1924-T1926 PolarHBondContact O-OG1 3.31Å
1925I41Very low42.2Very low69 Ų69101.8 Ų101.835%0.35452%0.52SS..  trans-69.498.1177.5-41.5179.7000108.5V1867 F1871 P1923 L1927V1867-I1925 HydrophobicContact CG1-CG1 4.39Å; F1871-I1925 HydrophobicContact CD1-CD1 4.39Å; F1871-I1925 HydrophobicContact CD2-CD1 3.91Å; F1871-I1925 HydrophobicContact CE1-CD1 4.08Å; F1871-I1925 HydrophobicContact CE2-CD1 3.58Å; F1871-I1925 HydrophobicContact CG-CD1 4.31Å; F1871-I1925 HydrophobicContact CZ-CD1 3.67Å; P1923-I1925 HydrophobicContact CB-CG1 4.03Å; P1923-I1925 HydrophobicContact CG-CD1 4.12Å; P1923-I1925 HydrophobicContact CG-CG1 4.05Å; P1923-I1925 PolarHBondContact O-N 2.93Å; I1925-L1927 HydrophobicContact CB-CG 4.42Å; I1925-L1927 HydrophobicContact CG2-CD2 3.84Å; I1925-L1927 HydrophobicContact CG2-CG 3.74Å; I1925-L1927 PolarHBondContact O-N 3.22Å
1926T28.2Very low41.2Very low134 Ų134102.8 Ų102.882%0.82252%0.518SS*.  trans-78.268178.8-49.60000109.4K1924 T1928K1924-T1926 PolarHBondContact O-N 3.05Å; K1924-T1926 PolarHBondContact O-OG1 3.31Å; T1926-T1928 PolarHBondContact O-N 3.38Å; T1926-T1928 VanDerWaalsContact O-N 3.11Å
1927L30.3Very low40Very low82 Ų82107.5 Ų107.543%0.42955%0.545SS..  trans-61.8111177.5-73174.4000109.6I1925 Q1929 M1935I1925-L1927 HydrophobicContact CB-CG 4.42Å; I1925-L1927 HydrophobicContact CG2-CD2 3.84Å; I1925-L1927 HydrophobicContact CG2-CG 3.74Å; I1925-L1927 PolarHBondContact O-N 3.22Å; L1927-Q1929 PolarHBondContact O-N 2.86Å; L1927-M1935 HydrophobicContact CD1-CE 3.83Å
1928T29.4Very low38.6Very low109 Ų109113.3 Ų113.367%0.66957%0.565SS**  trans-58.2137.4171.254.40000109.2T1926 N1930 S1931T1926-T1928 PolarHBondContact O-N 3.38Å; T1926-T1928 VanDerWaalsContact O-N 3.11Å; T1928-N1930 PolarHBondContact O-N 2.93Å; T1928-S1931 PolarHBondContact O-N 2.78Å; T1928-S1931 PolarHBondContact O-OG 3.24Å
1929Q30.8Very low37.1Very low161 Ų161113.9 Ų113.975%0.75257%0.571SS**G310 helixtrans-54.6-27.6-165.1-72.2175.2-4500114.2L1927 S1931 I1932L1927-Q1929 PolarHBondContact O-N 2.86Å; Q1929-S1931 PolarHBondContact O-N 3.22Å; Q1929-S1931 VanDerWaalsContact O-N 3.15Å; Q1929-I1932 HydrophobicContact CG-CD1 4.37Å; Q1929-I1932 WeakPolarHBondContact O-CB 2.97Å; Q1929-I1932 PolarHBondContact O-N 2.73Å
1930N31.3Very low35.7Very low154 Ų154117 Ų11782%0.82458%0.584SS**G310 helixtrans-63.1-16.9176.3-64.2-2.7000114.3T1928T1928-N1930 PolarHBondContact O-N 2.93Å
1931S35.4Very low34.3Very low37 Ų37121.4 Ų121.426%0.25961%0.611SS.*G310 helixtrans-87.4-15174.558.80000114T1928 Q1929 S1933T1928-S1931 PolarHBondContact O-N 2.78Å; T1928-S1931 PolarHBondContact O-OG 3.24Å; Q1929-S1931 PolarHBondContact O-N 3.22Å; Q1929-S1931 VanDerWaalsContact O-N 3.15Å; S1931-S1933 VanDerWaalsContact C-N 3.34Å; S1931-S1933 PolarHBondContact O-N 3.44Å
1932I34.2Very low33.1Very low72 Ų72120.6 Ų120.637%0.36962%0.618SS.*Hα-helixtrans-72.2-29.5-178.3-58.7177.1000111.3Q1929 M1934 M1935 K1936Q1929-I1932 HydrophobicContact CG-CD1 4.37Å; Q1929-I1932 WeakPolarHBondContact O-CB 2.97Å; Q1929-I1932 PolarHBondContact O-N 2.73Å; I1932-M1934 VanDerWaalsContact C-N 3.34Å; I1932-M1934 PolarHBondContact O-N 2.66Å; I1932-M1935 PolarHBondContact O-N 2.76Å; I1932-M1935 VanDerWaalsContact O-N 3.1Å; I1932-K1936 HydrophobicContact CG2-CD 4.46Å; I1932-K1936 HydrophobicContact CG2-CG 4.29Å; I1932-K1936 PolarHBondContact O-N 2.08Å
1933S29.8Very low31.9Very low86 Ų86117.2 Ų117.260%0.60161%0.612SS**Hα-helixtrans-65.9-29-176.8-57.30000114.5S1931S1931-S1933 VanDerWaalsContact C-N 3.34Å; S1931-S1933 PolarHBondContact O-N 3.44Å
1934M30.8Very low30.8Very low168 Ų168119.8 Ų119.883%0.82863%0.627SS**Hα-helixtrans-77.8-32171.4-84.1-174.6163.500112.3I1932I1932-M1934 VanDerWaalsContact C-N 3.34Å; I1932-M1934 PolarHBondContact O-N 2.66Å
1935M31.4Very low30.1Very low105 Ų105118.3 Ų118.352%0.51763%0.627SS.*Hα-helixtrans-72.4-30.3179.2-136.3173.2-70.300112.1L1927 I1932 N1937 Y1938L1927-M1935 HydrophobicContact CD1-CE 3.83Å; I1932-M1935 PolarHBondContact O-N 2.76Å; I1932-M1935 VanDerWaalsContact O-N 3.1Å; M1935-N1937 PolarHBondContact O-N 3.27Å; M1935-Y1938 CarbonylContact O-C 3.57Å; M1935-Y1938 PolarHBondContact O-N 2.54Å
1936K31.8Very low29.5Very low164 Ų164119.2 Ų119.271%0.71364%0.638SS**THydrogen-bonded Turntrans-62.7-21.3176.7-79.6-174.6173.2-1740115.3I1932I1932-K1936 HydrophobicContact CG2-CD 4.46Å; I1932-K1936 HydrophobicContact CG2-CG 4.29Å; I1932-K1936 PolarHBondContact O-N 2.08Å
1937N29.2Very low29.3Very low147 Ų147120 Ų12079%0.78664%0.637SS**THydrogen-bonded Turntrans-89.1-2.3173.1-75.5-3.3000113.3M1935M1935-N1937 PolarHBondContact O-N 3.27Å
1938Y33.3Very low29.1Very low140 Ų140120.6 Ų120.655%0.54965%0.649SS.*  trans-108.785165.7-74.6-89.1000108.6M1935 L1940M1935-Y1938 CarbonylContact O-C 3.57Å; M1935-Y1938 PolarHBondContact O-N 2.54Å; Y1938-L1940 PolarHBondContact O-N 2.08Å
1939Q27.4Very low28.9Very low193 Ų193123.2 Ų123.290%0.90266%0.659SS**  trans-69.472165.4-170.3175.32.500109.1T1941Q1939-T1941 PolarHBondContact O-N 2.09Å
1940L28.3Very low28.6Very low100 Ų100120.6 Ų120.652%0.52465%0.653SS.*  trans-61.9129.2178.9-98.3156.3000109.9Y1938 L1942Y1938-L1940 PolarHBondContact O-N 2.08Å; L1940-L1942 HydrophobicContact CB-CD1 4.48Å; L1940-L1942 PolarHBondContact O-N 2.9Å
1941T28.2Very low28.2Very low94 Ų94121.7 Ų121.758%0.57765%0.653SS**  trans-7263.4169.1350000111.5Q1939 S1943 T1944Q1939-T1941 PolarHBondContact O-N 2.09Å; T1941-S1943 PolarHBondContact O-N 2.06Å; T1941-T1944 PolarHBondContact O-N 2.9Å; T1941-T1944 PolarHBondContact O-OG1 2.62Å
1942L27.8Very low27.8Very low144 Ų144126.4 Ų126.475%0.75468%0.681SS**G310 helixtrans-61.2-15.1159.8-85.5151.7000111.8L1940 T1944L1940-L1942 HydrophobicContact CB-CD1 4.48Å; L1940-L1942 PolarHBondContact O-N 2.9Å; L1942-T1944 VanDerWaalsContact C-N 3.31Å; L1942-T1944 PolarHBondContact O-N 3.11Å
1943S24.4Very low27.3Very low83 Ų83129 Ų12958%0.5870%0.704SS**G310 helixtrans-77.30.5172.551.40000115.5T1941T1941-S1943 PolarHBondContact O-N 2.06Å
1944T25.3Very low27Very low94 Ų94132.9 Ų132.958%0.57771%0.712SS**G310 helixtrans-124.618.2179.461.90000114.9T1941 L1942T1941-T1944 PolarHBondContact O-N 2.9Å; T1941-T1944 PolarHBondContact O-OG1 2.62Å; L1942-T1944 VanDerWaalsContact C-N 3.31Å; L1942-T1944 PolarHBondContact O-N 3.11Å
1945L24.2Very low26.7Very low149 Ų149132.6 Ų132.678%0.7871%0.709SS**SBendtrans-122.45.3158.6-130.582.5000113.7
1946C27.5Very low26.4Very low87 Ų87139 Ų13959%0.58873%0.727SS**  trans-107.365.5161.7-67.70000109.2
1947N24.6Very low26.1Very low150 Ų150137.2 Ų137.280%0.80273%0.73SS**SBendtrans-137.836164-104.4-36.3000110.5
1948S26.4Very low26Very low96 Ų96134.8 Ų134.867%0.67173%0.725SS**SBendtrans-145.6123.1162-51.10000105.8V1950S1948-V1950 PolarHBondContact O-N 2.9Å
1949D25.2Very low25.6Very low164 Ų164135.6 Ų135.688%0.87774%0.736SS**SBendtrans58.835.2160.6-51.4-24.4000120.5
1950V24.3Very low25.6Very low105 Ų105133 Ų13364%0.63673%0.728SS**  trans-145.699.6142.1-168.50000111.5S1948S1948-V1950 PolarHBondContact O-N 2.9Å
1951E22.1Very low25.3Very low178 Ų178134.2 Ų134.283%0.83275%0.745SS**  173.2100.1129.5-99.5-175.5-171.400111.7
1952T27.3Very low25.2Very low136 Ų136133 Ų13383%0.83475%0.751SS**  trans175.770.2142.124.80000110.3
1953C23.4Very low25.1Very low127 Ų127133.6 Ų133.686%0.85875%0.753SS**  trans-73.9131.5151.3-770000107.5
1954Q24.1Very low25.1Very low166 Ų166136.4 Ų136.478%0.77676%0.76SS**  trans69.5122.3-170.2-50.1171.9-1000111.9
1955H24.1Very low24.9Very low163 Ų163138.8 Ų138.876%0.75577%0.768SS**  cis-121.9133.310.8-72.5-109.8000113.5
1956R26Very low24.9Very low239 Ų239138.8 Ų138.890%0.90277%0.77SS**  trans-126.485.7140.8-90-163.8175.3-149.1-0.1109.3
1957T25Very low24.8Very low126 Ų126138.2 Ų138.277%0.77378%0.778SS**  trans-75110.413742.70000105.8
1958S27.7Very low24.7Very low96 Ų96139 Ų13967%0.67178%0.78SS**  trans-80.4125.7178.352.90000110.7
1959M25.3Very low24.7Very low158 Ų158141.7 Ų141.778%0.77879%0.787SS**  177.1-179.4111.3-94.1-164.97100109.3
1960D27.1Very low24.8Very low137 Ų137138.9 Ų138.973%0.73378%0.778SS**  trans-39148.2139.9-49.8-88.7000110.8
1961S22.4Very low24.8Very low127 Ų127141 Ų14189%0.88879%0.791SS**  cis-105.1157.629.7-55.40000115
1962G25.1Very low24.8Very low68 Ų68137.2 Ų137.270%0.70179%0.785SS**  trans-83162.8-174.100000116.8
1963I24.9Very low24.7Very low156 Ų156137.5 Ų137.580%0.878%0.781SS**  trans82.190.9145.8-51.6175.2000118.4
1964I24.3Very low24.7Very low142 Ų142139.7 Ų139.773%0.72878%0.784SS**  42.6120.1128.4-43.1164000117.7
1965L23Very low24.7Very low144 Ų144138.7 Ų138.775%0.75478%0.784SS**  -169.5142.791.8-118103.4000115.4
1966D22.4Very low24.8Very low150 Ų150139.7 Ų139.780%0.80279%0.786SS**  trans34.2136.6146.4-58-1.9000124.2
1967G25.4Very low24.7Very low75 Ų75135.6 Ų135.677%0.77378%0.782SS**  trans17445.6171.900000120.2
1968I23.8Very low24.7Very low165 Ų165134.5 Ų134.585%0.84678%0.779SS**  trans5.2115.9165.3-51.3170.9000118.4
1969N25.5Very low24.4Very low153 Ų153139.2 Ų139.282%0.81879%0.787SS**  trans-164.1131.7145.2-133.9-23.7000114.7
1970P28.6Very low24.3Very low106 Ų106139 Ų13969%0.68878%0.784SS**  trans-111.9136.5174.437.1-27.8000114
1971T23Very low24.2Very low148 Ų148137.9 Ų137.991%0.90878%0.779SS**  trans-153171.4169.316.60000112.3
1972S23.1Very low24.2Very low100 Ų100138.6 Ų138.670%0.69977%0.772SS**  trans-130.7164.6-158.455.60000115.6
1973N25.5Very low24.1Very low141 Ų141139.1 Ų139.175%0.75477%0.766SS**  trans39.2119.9152.4-59.2-6.8000120.4
1974N23.6Very low24.1Very low173 Ų173137.8 Ų137.893%0.92576%0.76SS**  -171.3173.5116-102.1-33.1000114.8
1975L24Very low24.2Very low146 Ų146136.7 Ų136.776%0.76475%0.754SS**  trans-107.1155.8-175.4-92.4149.1000113
1976F26.1Very low24.2Very low183 Ų183135.2 Ų135.280%0.80375%0.745SS**  trans49.7111.8162.3-82.3-77.6000119.7
1977N23.9Very low24.3Very low153 Ų153136.8 Ų136.882%0.81874%0.741SS**  -176.4173.4124-103.7-30.9000113.1
1978C24.3Very low24.4Very low103 Ų103136.2 Ų136.270%0.69674%0.735SS**  trans28123.4146-58.70000118.1
1979F21.9Very low24.4Very low195 Ų195134.4 Ų134.486%0.85573%0.727SS**  cis44.772.944.4-120.1-58.3000112.4
1980E23.1Very low24.3Very low153 Ų153132.3 Ų132.372%0.71572%0.716SS**  177.9143.7110.9-91.7-165.3126.900113.6
1981N23.5Very low24.2Very low115 Ų115135.7 Ų135.762%0.61572%0.716SS**  trans28107.8133.2-45-27.5000116
1982N23.2Very low24.2Very low141 Ų141137.1 Ų137.175%0.75471%0.706SS**  -167.2130.868-87.7-45.1000109.2
1983S23.2Very low24.2Very low80 Ų80134.5 Ų134.556%0.55969%0.688SS**  63.6122.483.297.60000111.6
1984N25.8Very low24.2Very low127 Ų127133.8 Ų133.868%0.67968%0.68SS**  -138.5158.157.4-83.3-12.3000114.7
1985I25.4Very low24.2Very low119 Ų119128.5 Ų128.561%0.6165%0.647SS**  67.6117.751.2-83.5167.7000108
1986M23.5Very low24.3Very low114 Ų114126.7 Ų126.756%0.56263%0.634SS**  cis-154.8174.425.8-84.4-44.7-170.300111.8
1987Y24.1Very low24.1Very low183 Ų183123 Ų12372%0.71862%0.616SS**  cis-150.2140-5.9-126.1-49.4000110.3
1988G27.2Very low24.8Very low63 Ų63117.3 Ų117.365%0.64959%0.587SS**  trans71.1173.913600000119.2
1989N24.3Very low24.6Very low126 Ų126119.9 Ų119.967%0.67458%0.584SS**  cis-161147.6-11-116.91.8000109.3
1990N23.6Very low24.7Very low109 Ų109114 Ų11458%0.58358%0.578SS**  trans65.7162.3154-65.8-10.2000116.7
1991Y26.2Very low25Very low178 Ų178114.5 Ų114.570%0.69858%0.584SS**  cis-160.1147.2-12.5-106.6-26000108.3
1992Y23.6Very low25Very low177 Ų177111.9 Ų111.969%0.69458%0.584SS**  trans60169.4148.2-79.4-117.1000116.5
1993S21.9Very low25.3Very low45 Ų45111.9 Ų111.932%0.31558%0.584SS.*  cis167.9162.4-17.5-179.50000104.3N1375N1375-S1993 PolarHBondContact OD1-OG 3.13Å
1994H25.9Very low25.3Very low126 Ų126114.1 Ų114.158%0.58359%0.59SS**  trans67.5114-172.9-48.2-79.4000112.2N1375 D1377N1375-H1994 PolarHBondContact OD1-N 2.74Å; D1377-H1994 IonicContact OD2-CE1 3.58Å; D1377-H1994 PolarHBondContact OD2-CE1 3.06Å; D1377-H1994 IonicContact OD2-ND1 2.66Å; D1377-H1994 PolarHBondContact OD2-ND1 3.38Å
1995Y23.5Very low25.6Very low62 Ų62117.4 Ų117.424%0.24359%0.594CS.*  cis73.88319.6-112.6-134000112.9N1375 D1377 E1378N1375-Y1995 VanDerWaalsContact C-CD1 3.42Å; N1375-Y1995 HydrophobicContact CB-CD1 3.6Å; N1375-Y1995 HydrophobicContact CB-CD2 4.14Å; N1375-Y1995 HydrophobicContact CB-CE1 3.86Å; N1375-Y1995 HydrophobicContact CB-CE2 4.36Å; N1375-Y1995 HydrophobicContact CB-CG 3.78Å; N1375-Y1995 WeakPolarHBondContact ND2-CD2 3.06Å; N1375-Y1995 WeakPolarHBondContact O-CD1 3.17Å; N1375-Y1995 WeakPolarHBondContact O-CE1 2.52Å; N1375-Y1995 WeakPolarHBondContact OD1-CB 2.83Å; D1377-Y1995 CarbonylContact C-O 3.4Å; D1377-Y1995 VanDerWaalsContact CB-O 3.25Å; D1377-Y1995 WeakPolarHBondContact CB-O 3.2Å; E1378-Y1995 HydrophobicContact CB-CD1 3.31Å; E1378-Y1995 HydrophobicContact CB-CD2 3.58Å; E1378-Y1995 HydrophobicContact CB-CE1 3.69Å; E1378-Y1995 HydrophobicContact CB-CE2 3.94Å; E1378-Y1995 HydrophobicContact CB-CG 3.22Å; E1378-Y1995 HydrophobicContact CG-CD2 4.22Å; E1378-Y1995 HydrophobicContact CG-CG 4.28Å; E1378-Y1995 VanDerWaalsContact N-CD1 3.27Å; E1378-Y1995 WeakPolarHBondContact OE1-CA 3.49Å; E1378-Y1995 WeakPolarHBondContact OE2-CD2 3.16Å; E1378-Y1995 VanDerWaalsContact OE2-CE2 3.27Å; E1378-Y1995 WeakPolarHBondContact OE2-CE2 3.42Å
1996H26.3Very low25.6Very low108 Ų108118.4 Ų118.450%0.560%0.601SS.*  trans-167.7114.3172.7-111.922.1000114.6D1377 E1378 R1381D1377-H1996 WeakPolarHBondContact CB-ND1 3.42Å; D1377-H1996 PolarHBondContact O-ND1 2.79Å; E1378-H1996 PolarHBondContact OE1-N 3.26Å; R1381-H1996 PolarHBondContact NH1-CD2 3.22Å; R1381-H1996 VanDerWaalsContact NH1-CD2 3.31Å; R1381-H1996 PolarHBondContact NH1-CE1 3.16Å; R1381-H1996 PolarHBondContact NH1-ND1 2.78Å; R1381-H1996 PolarHBondContact NH1-NE2 3.47Å; R1381-H1996 PolarHBondContact NH2-CD2 3.06Å; R1381-H1996 VanDerWaalsContact NH2-CG 3.32Å
1997Y21.1Very low25.7Very low105 Ų105117.9 Ų117.941%0.41260%0.604SS.*  trans-95.4-138.3175.4-121.5-113.5000111.3E1378 R1381 N1382E1378-Y1997 HydrophobicContact CG-CD2 3.78Å; R1381-Y1997 VanDerWaalsContact CZ-O 3.26Å; R1381-Y1997 VanDerWaalsContact NE-C 3.3Å; R1381-Y1997 PolarHBondContact NE-O 2.93Å; R1381-Y1997 PolarHBondContact NH2-O 3.08Å; R1381-Y1997 WeakPolarHBondContact O-CB 3.31Å; R1381-Y1997 WeakPolarHBondContact O-CD1 3.49Å; N1382-Y1997 HydrophobicContact CB-CD1 4.29Å; N1382-Y1997 HydrophobicContact CB-CE1 4.18Å; N1382-Y1997 VanDerWaalsContact CG-CE1 3.45Å; N1382-Y1997 PolarHBondContact ND2-OH 2.82Å; N1382-Y1997 WeakPolarHBondContact OD1-CE1 3.42Å; N1382-Y1997 PolarHBondContact OD1-OH 3.19Å
1998P39.5Very low25.8Very low34 Ų34115.9 Ų115.922%0.22160%0.601CS.*  -92.1-155.4-112.751.2-34.2000114.8R1381 Y1385R1381-P1998 WeakPolarHBondContact O-CD 3.41Å; R1381-P1998 WeakPolarHBondContact O-CG 3.26Å; Y1385-P1998 HydrophobicContact CE2-CB 4.41Å
1999Y21.1Very low25.7Very low157 Ų157119.6 Ų119.662%0.61660%0.601SS**  trans73.8142.6160.9-95.3-125.9000116L1384L1384-Y1999 HydrophobicContact CB-CD2 4.17Å; L1384-Y1999 HydrophobicContact CB-CE2 3.54Å; L1384-Y1999 HydrophobicContact CD1-CD2 4.47Å; L1384-Y1999 HydrophobicContact CD1-CE2 4.29Å; L1384-Y1999 HydrophobicContact CG-CE2 4.48Å
2000G23.8Very low25.7Very low71 Ų71120.7 Ų120.773%0.73260%0.602SS**  trans-123.4149.5-170.100000113.2
2001I28.6Very low25.8Very low164 Ų164121.2 Ų121.284%0.84161%0.609SS**  trans-117133.5148.1-69.7168.2000101.8
2002G24Very low26.1Very low60 Ų60116.3 Ų116.362%0.61961%0.605SS**  cis99.3150.846.100000107.1
2003D29.5Very low26.3Very low142 Ų142114.7 Ų114.776%0.75961%0.608SS**  trans65.7108.5-175.3-57-23.8000113.1
2004N23.5Very low26.8Very low126 Ų126119.6 Ų119.667%0.67463%0.63SS**  cis46.2112.249.2-49.2-53.3000110.8
2005Y31.8Very low26.9Very low196 Ų196119.2 Ų119.277%0.76964%0.636SS**  cis-127.8150.121.7-73.5-105.9000108.6
2006N24Very low26.9Very low141 Ų141123.6 Ų123.675%0.75466%0.664SS**  cis60.4159.549.8-164.69.8000111.3
2007V26.8Very low27.1Very low103 Ų103123.6 Ų123.662%0.62468%0.675SS**  trans73.5125.3-178.1179.20000114.1
2008Q25.3Very low27.4Very low140 Ų140124.4 Ų124.465%0.65469%0.687SS**  cis-152.8159.3-11.5-117.1171.7-16.300108
2009Q24.7Very low26.7Very low141 Ų141131.2 Ų131.266%0.65972%0.715SS**  44.2151.3104.4-56.8172.5-2600115.4
2010H26Very low27.1Very low149 Ų149131.4 Ų131.469%0.6973%0.726SS**  cis-172156.447.1-136.7-64.3000112.8
2011V25.7Very low27.3Very low121 Ų121132.5 Ų132.573%0.73372%0.719SS**  trans69.1144.2164.8-173.30000114.3
2012A31.6Very low27.4Very low75 Ų75130.5 Ų130.562%0.6271%0.714SS**  cis-116.6155.13.500000111.1
2013N28Very low27.7Very low142 Ų142133 Ų13376%0.75972%0.718SS**  48.8129.687.8-41.1-17.9000111.9
2014I32.5Very low27.7Very low148 Ų148131.7 Ų131.776%0.75972%0.715SS**  cis-148.7134.447-83.7178.5000112.3
2015T28.9Very low27.8Very low118 Ų118129.8 Ų129.872%0.72471%0.712SS**  trans31.4136.4156.265.40000123.1
2016D23.3Very low27.7Very low154 Ų154127.9 Ų127.982%0.82471%0.71SS**  trans-44.4143.2145.1-50.9-95000113.4
2017C29.1Very low27.8Very low108 Ų108127.8 Ų127.873%0.7371%0.705SS**  trans-162.5116.6140.1-117.80000112.5
2018N28.2Very low27.6Very low123 Ų123129.1 Ų129.166%0.65871%0.705SS**  40.3113.2119.6-58.3-36.3000117.5
2019Q24.8Very low27.6Very low177 Ų177130.3 Ų130.383%0.82771%0.708SS**  56.179.893.6-66.2-169.14.500114.5
2020L29.8Very low27.7Very low160 Ų160128.6 Ų128.684%0.83870%0.704SS**  trans-116.295.3143.1-75169.2000106
2021T27.8Very low27.7Very low94 Ų94128.3 Ų128.358%0.57770%0.703SS**  79140.579.657.70000113.6
2022T29.6Very low27.7Very low122 Ų122129.2 Ų129.275%0.74870%0.703SS**  trans65.3137.8150.9540000117.6
2023T30.2Very low27.5Very low113 Ų113130.7 Ų130.769%0.69371%0.708SS**  cis-165.3171.11.56.80000112.1
2024T30.6Very low27.6Very low114 Ų114130 Ų13070%0.69971%0.709SS**  trans55.895.3146.752.90000120.7
2025S24.2Very low27.4Very low87 Ų87133.7 Ų133.761%0.60871%0.714SS**  47.2149.298.972.40000122.4
2026H31.3Very low27.4Very low156 Ų156132.4 Ų132.472%0.72271%0.709SS**  trans69.2157.3161.2-66.5-73.8000117.3
2027Q24.9Very low27.6Very low139 Ų139131.9 Ų131.965%0.6571%0.706SS**  cis-173.8153.2-45.8-128.5-175.5-20.800107.1
2028M23.7Very low27.4Very low130 Ų130131.5 Ų131.564%0.6470%0.704SS**  trans47.1124.2147.2-75.1-159.1-175.500121.2
2029K25.1Very low27.4Very low165 Ų165132 Ų13272%0.71771%0.711SS**  trans74.3156.2133.3-64.6178.5179.41770116.6
2030N27.2Very low27.5Very low105 Ų105132 Ų13256%0.56171%0.709SS**  cis-144.4157.8-5-132.718000112.2
2031E25.6Very low27.5Very low143 Ų143129.7 Ų129.767%0.66870%0.701SS**  trans44129.8139.1-76.3164.6-147.300122.4
2032N26.2Very low27.4Very low140 Ų140131.9 Ų131.975%0.74972%0.715SS**  trans93147.8138.1-65.2-24.4000121.7
2033C27.1Very low27.5Very low107 Ų107132.2 Ų132.272%0.72372%0.717SS**  trans69.186.7158.9-67.90000120.4
2034T28.9Very low27.5Very low127 Ų127132 Ų13278%0.77972%0.719SS**  75.7139.5125.162.30000121.7
2035R28Very low27.7Very low226 Ų226135.1 Ų135.185%0.85373%0.728SS**  trans83.4115141.6-110.3179.1179.4134-0.3120
2036S28.8Very low27.9Very low90 Ų90144.8 Ų144.863%0.62976%0.759SS**  74.5119.3128.258.30000121.4
2037N28.9Very low27.7Very low143 Ų143144.2 Ų144.277%0.76576%0.761SS**  82.9105.6126-647.4000120.5
2038C24.9Very low27.8Very low101 Ų101144.5 Ų144.568%0.68277%0.767SS**  78129119.1-63.10000120.4
2039T27Very low28.1Very low132 Ų132145.3 Ų145.381%0.8177%0.774SS**  trans69.9152.3153.959.80000116.3
2040K27.9Very low28.3Very low179 Ų179144.1 Ų144.178%0.77878%0.777SS**  cis-153.9178.218.7-142.2163.3-174.41770111.5
2041T30.5Very low28.3Very low110 Ų110146.6 Ų146.668%0.67579%0.791SS**  trans50.3106.2156.344.10000119
2042V25.6Very low28.5Very low141 Ų141146.8 Ų146.886%0.85580%0.799SS**  trans-61.1132.7135.4171.90000108.5
2043T31.5Very low28.7Very low129 Ų129147.3 Ų147.379%0.79180%0.803SS**  trans-126.3141.5153.230.30000108.3
2044S29.2Very low28.8Very low107 Ų107150.4 Ų150.475%0.74881%0.809SS**  trans-76.8144.4-167.245.70000113.8
2045M35.6Very low28.8Very low180 Ų180152.3 Ų152.389%0.88781%0.811SS**  -167.8125.5113.9-102.4-173.9-17300111.7
2046K27.4Very low28.9Very low290 Ų290145.6 Ų145.6100%1.26181%0.807SS**  trans70.60-174.4-62.2-175.2176.9179.30115.6

Retrieved 2,046 of 2,046 residues in 440.7 ms (Link to these results)