A0A3Q0KNM3_SCHMA Loading...

Putative capicua protein

AlphaFold DB , UniProt , Accession A0A3Q0KNM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,506 aa.

>A0A3Q0KNM3_SCHMA|A0A3Q0KNM3
MDTNSLPSDIRLTGAVVSTNEFTDGGQVIKNINFGDTVVSICSIKTEDESSPFCKDNVCCADTSPKPVQNAPTPSTYYDDDSNNNNGSLCLIQSASRLDLTPHTDQSPSHWRRLKKRTSDILEMQNKNLKTSSTLESQISSVATCNSETSSFFPTVTNTVSTCGISGYNNVEISNSDMESNKNCLYQSFPSSNSSIIPLGNASLLLDPGKFCPPNSKWISPGASGSSIAAALTAVNIQQRFKKGDVVKTPNGVRKKFNGKQWRRLCSREGCTKESQRRGFCSRHLSMKGKEMRVMGYAAAVAALSSSESKYSTSGIPRENGSNRNKGNSFTSTGLLSSSTPSLLLTPSIFAPYKLTPFLSTSKSASITTEMGSSTSATQAVISSTTTSLLTTTTTTVSQQSVFSLPLTSIHFNDRYNSSIIPATVGAQVTSMPIPSSAFTPLLFNASVGQMSPISTPLALLPILTDSISVGEPSLRKQDTPRFNSNNSSDFGNNPTTTESENSNFNKGHSSGNQYCDNSHKSPGHRESDNNKCSIPLLGQVCNLVDIKKSGQSVETDCIENSEGTCKQVSRETSSPVLTPNCSGHVNNHDDDDVVGDFDNNDNQSNVTTPVINLNTSKNDNIQMSNECSINKKLKLSAILNKNNQDRKHVRRPMNAFIIFSMRHRSEVHRLYPNKDNRVASQILGDWWYHLNASEKAPYQQLARELKAAHFQSFPNWKWSSKQRLRSEGGNIKKRCPTHCNSHPETRTSLTDSSNLLVNEFLSVENKLNPCSFTSNQINESDGILTNSALNELSLNNESTIALSQSNLNAENISQHNCYDNHRSIEVKSSDQYRLNGLDLLLHAVQYLDKENNLFNDDLIQPPPLFIEDLDTDAKNVQVNVNKSNTSCGDNFETVNNSNEELTEHNFKDTTVTPDQESIPLDNSMKNLLVDSNVNTSTCNSISQSVTEHPSNSGTFENSNNRLQNQSLSDSNKFNSITDLSHSVFTLPQVAVHPNTLLIEVAENPLLCPLSINIKPTLLSTSLSSSSLSSNCSSTELKNSSLLEINQQSIENTYETLKYFNEISLGNNIDTHISNQENSTVPINNSYDQLVSLKEENCVIYNCDNKFQSSTSENSHHQQTVSSKSKPPPLKLQSDVFNYSIINKDIEQSNKSIEKSTPRAPFSADAANRCFKRKFDETTENILAQINFRRRFSYLPKFNPNTVSDTQGLSSPTSVDQLTVRSAGPCFYSETTQTGSVTPTLSIDTSQQLCTLTSPSSHLSDSENIHQNLSPKRLNMDKSNQSLEDNVFFGANFPNIKEVKRTTDSLNSPLRISSSNSTSYGRLSKNHPIAPKIIHHQTNENSSLITLSHLSEANGNKSRSVLHIRRKLVLQLFQEYGLFPSIPVITHFQQCYACYFPSRQALQLKIREIRRRIMQTDSHPFQKTIIKDNYDCLDDKKNADNDEDDNDDEIELTKIKCSLRTISKHSIPIVRSTNGLHEYTNRCCNDNNHNNNNTGTNSSLSSPLAV
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
1M36.2Very low35.3Very low125 Ų125132.7 Ų132.762%0.61672%0.717SS**  060.30-61.7179.7-178.500110.3I421 P422 A423M1-I421 CarbonylContact C-O 3.46Å; M1-I421 VanDerWaalsContact C-O 3.26Å; M1-P422 WeakPolarHBondContact CA-O 3.38Å; M1-P422 WeakPolarHBondContact CB-O 3.44Å; M1-P422 PolarHBondContact N-O 3.17Å; M1-P422 WeakPolarHBondContact O-CD 3.06Å; M1-A423 HydrophobicContact CB-CB 3.96Å; M1-A423 HydrophobicContact CG-CB 4.39Å; M1-A423 WeakPolarHBondContact CG-O 3.47Å; M1-A423 HydrophobicContact SD-CB 3.95Å
2D31.7Very low35.1Very low97 Ų97134.7 Ų134.752%0.51973%0.725SS.*  cis-165124.121.4-81.4-49.2000114.1I420 I421D2-I420 WeakPolarHBondContact O-CG2 3.22Å; D2-I421 PolarHBondContact N-O 2.9Å
3T32.8Very low35.1Very low91 Ų91136.2 Ų136.256%0.55874%0.743SS**  34.1137.411472.80000121.6
4N33.4Very low35.5Very low152 Ų152131.8 Ų131.881%0.81374%0.744SS**  trans85.3127.1133.3-68.4-6.7000122.1
5S36.5Very low35.4Very low102 Ų102129.6 Ų129.671%0.71375%0.749SS**  92.286.8126.1-172.20000120.7
6L36.2Very low35.5Very low164 Ų164129.8 Ų129.886%0.85975%0.752SS**  66.3158.7111-72.8165.3000119.2
7P43.2Very low35.5Very low110 Ų110130 Ų13071%0.71476%0.756SS**  -123.6-172.5-129.145.2-36.1000115.2
8S36.9Very low35.6Very low113 Ų113128.2 Ų128.279%0.7975%0.752SS**  trans-152.3113.4164-660000113
9D33.9Very low35.8Very low141 Ų141127.7 Ų127.775%0.75475%0.751SS**  61.5132.7122.6-81.213.3000126.3
10I32.3Very low35.5Very low128 Ų128127.1 Ų127.166%0.65674%0.744SS**  trans78.7113.4135.8-65.6165.7000120.2
11R35Very low35.4Very low237 Ų237128 Ų12889%0.89474%0.741SS**  166163.9100.7-125.3151.7-144.8-1614.9114.9
12L32.6Very low35.3Very low156 Ų156130.2 Ų130.282%0.81775%0.748SS**  trans-104162.1172.6-76.374.9000112
13T35.7Very low35.3Very low155 Ų155130.4 Ų130.495%0.95175%0.752SS**  trans179.6155.7131.7200000114.8
14G40.1Very low35.4Very low74 Ų74133.4 Ų133.476%0.76377%0.765SS**  trans88.4113.8166.500000116.6
15A34.6Very low35.4Very low99 Ų99129.5 Ų129.582%0.81876%0.76SS**  cis92.485.10.400000119.6
16V37.5Very low35.3Very low132 Ų132128 Ų12880%0.876%0.762SS**  trans-151.1111.6163.8-179.60000105.6
17V35.4Very low35Very low134 Ų134128.9 Ų128.981%0.81276%0.761SS**  61.9126.685.3175.60000112.3
18S36.7Very low34.4Very low98 Ų98129 Ų12969%0.68576%0.759SS**  cis-150.9-165.3-0.1-131.90000108.4
19T39.5Very low34.1Very low119 Ų119130.2 Ų130.273%0.7376%0.756SS**  cis-154.2142.81.210.50000105.4
20N29.8Very low33.9Very low115 Ų115131.8 Ų131.862%0.61576%0.756SS**  68.2115.774.7-78.439.9000117.8
21E34Very low33.8Very low147 Ų147131.8 Ų131.869%0.68776%0.757SS**  79.3149.5126.6-61.5174.414100118.9
22F32.8Very low33.4Very low171 Ų171127.2 Ų127.275%0.7575%0.749SS**  cis-148.2-174.78.1-139.8-148.8000113.6
23T32.5Very low33.2Very low101 Ų101125.8 Ų125.862%0.6274%0.742SS**  trans-49.5-176.4176.560.10000116.6
24D34.2Very low32.8Very low153 Ų153127.5 Ų127.582%0.81874%0.737SS**  cis-162.4166.118.6-158.86.1000113.6
25G34.8Very low32.4Very low70 Ų70127.3 Ų127.372%0.72274%0.735SS**  trans70.6155.6153.800000118.2
26G33.9Very low32.3Very low72 Ų72128.7 Ų128.774%0.74273%0.729SS**  cis-158.9116.8-6.700000111.7
27Q30.6Very low32Very low182 Ų182127.8 Ų127.885%0.8572%0.724SS**  28.4125.4129.2-77.2-166.6700121.4
28V28.6Very low31.8Very low111 Ų111127.2 Ų127.267%0.67372%0.72SS**  trans65.2126.6141.4-163.10000115
29I31.5Very low31.6Very low139 Ų139128 Ų12871%0.71372%0.721SS**  -174.9118.392.7-81.1169.4000103.3
30K28.9Very low31.1Very low174 Ų174127.4 Ų127.476%0.75772%0.721SS**  50.7155.999.2-57.3180179.5176.70115.9
31N31Very low31.4Very low129 Ų129128.7 Ų128.769%0.6973%0.727SS**  trans78.1123.6176.4-51.5-10.5000112.9
32I27Very low31Very low140 Ų140126.7 Ų126.772%0.71873%0.728SS**  cis76.414031.1-45.1157.9000111.7
33N27.7Very low31.1Very low126 Ų126123.7 Ų123.767%0.67473%0.728SS**  trans79.2122.9-178.2-57.3-22.8000113.4
34F27.6Very low30.8Very low191 Ų191125.5 Ų125.584%0.83873%0.733SS**  78.6152.970.5-65.6-56.2000113.1
35G32Very low30.7Very low71 Ų71127.2 Ų127.273%0.73273%0.733SS**  trans93.972.6-164.500000110.3
36D31.6Very low30.3Very low128 Ų128128.4 Ų128.468%0.68473%0.726SS**  cis62.8139.327.3-161.314.1000114
37T31.4Very low30.1Very low113 Ų113132.2 Ų132.269%0.69372%0.724SS**  trans58.6167.5-177.163.50000115.5
38V31.8Very low30Very low121 Ų121129.9 Ų129.973%0.73372%0.718SS**  cis-132.9122.75.3-122.70000110.9
39V31.7Very low30Very low116 Ų116132.5 Ų132.570%0.70372%0.723SS**  43.4117.6115.71800000118.7
40S30.2Very low30.2Very low105 Ų105130 Ų13073%0.73472%0.718SS**  -178.4144.9119.8-81.80000111.2
41I36.1Very low30.4Very low143 Ų143127 Ų12773%0.73372%0.719SS**  cis-152.2157.2-12.1-121.2163.7000108.5
42C25.3Very low30.8Very low104 Ų104125 Ų12570%0.70371%0.712SS**  trans-75.5132174.6-66.70000112.6I44C42-I44 HydrophobicContact CB-CD1 4.21Å; C42-I44 HydrophobicContact CB-CG1 4.46Å
43S34.8Very low31.2Very low109 Ų109127.2 Ų127.276%0.76272%0.717SS**  trans-157.6114.2152.2-730000105.5
44I25.4Very low31.3Very low139 Ų139125.8 Ų125.871%0.71372%0.716SS**  cis60.371.532.1-42.5-177.7000111.9C42C42-I44 HydrophobicContact CB-CD1 4.21Å; C42-I44 HydrophobicContact CB-CG1 4.46Å
45K33.8Very low31.6Very low189 Ų189124.7 Ų124.782%0.82271%0.711SS**  trans-171.3117.3145.5-98.1160-176.6-173.20104.2
46T26.2Very low31.9Very low95 Ų95126.8 Ų126.858%0.58371%0.705SS**  cis58132.935.984.20000112.6
47E28.3Very low32.1Very low151 Ų151126.4 Ų126.471%0.70670%0.703SS**  trans64136.4-175.4-60112.5-95.100114.9
48D28.3Very low32.1Very low134 Ų134126.9 Ų126.972%0.71771%0.706SS**  cis-164.8170-6.7-119.1-12.7000112.4
49E30.5Very low32.1Very low166 Ų166125.7 Ų125.778%0.77670%0.702SS**  trans62.7144.9152.7-70.4-68.88800119.2
50S34Very low31.9Very low87 Ų87125.9 Ų125.961%0.60871%0.707SS**  cis-161.3151.1-4.153.30000112.7
51S34.3Very low31.9Very low110 Ų110125.3 Ų125.377%0.76971%0.709SS**  trans65.4163.9140.3-144.10000120.7
52P39.7Very low31.6Very low86 Ų86125.1 Ų125.156%0.55871%0.709SS**  -120.4179.5-62.338.4-26.4000110.9
53F34.6Very low32.1Very low187 Ų187126 Ų12682%0.8271%0.711SS**  cis-125.6164.32.3-69-90.8000108.7
54C30.3Very low31.8Very low96 Ų96124.9 Ų124.965%0.64970%0.704SS**  cis78.3133.130.2-64.10000114.9
55K34.3Very low32.4Very low169 Ų169123.1 Ų123.174%0.73570%0.702SS**  cis-167.2168.8-5.9-125178.1-179.8176.70114.1
56D37Very low32.4Very low114 Ų114123.7 Ų123.761%0.6170%0.704SS**  trans81.3144.4141.8-68.7-7.5000121
57N35.5Very low32.8Very low120 Ų120124.1 Ų124.164%0.64271%0.709SS**  cis-157.8141.3-10.5-115.3-23.4000111.5
58V32.3Very low32.9Very low124 Ų124122.4 Ų122.475%0.75271%0.708SS**  72.3140.897.6133.60000115.3
59C30.9Very low33Very low96 Ų96123.7 Ų123.765%0.64971%0.71SS**  cis-143.8151.64.3-117.90000109.8
60C28.3Very low33Very low119 Ų119122.7 Ų122.780%0.80471%0.71SS**  53148.489.1-55.90000115.5
61A29.7Very low33.1Very low94 Ų94122.8 Ų122.878%0.77772%0.716SS**  cis170.6165-1000000105.7
62D30.7Very low33.1Very low138 Ų138123.5 Ų123.574%0.73872%0.718SS**  cis-112.3-112-6.6-172.5-146.1000110.5S64D62-S64 WeakPolarHBondContact OD1-CB 3.45Å
63T35.1Very low32.9Very low122 Ų122125.5 Ų125.575%0.74873%0.729SS**  cis-135.5157.5-4.450.20000108.4
64S29.6Very low32.9Very low87 Ų87121.6 Ų121.661%0.60872%0.722SS**  cis83.512531-161.10000115.3D62D62-S64 WeakPolarHBondContact OD1-CB 3.45Å
65P37.6Very low32.8Very low102 Ų102121.8 Ų121.866%0.66272%0.724SS**  cis-145.3156.9-25.839.1-21.4000117.5
66K32.8Very low32.6Very low200 Ų200119.6 Ų119.687%0.8773%0.726SS**  trans64.2178.3140.9-76.5176.4-177.4174.60118.7
67P35.7Very low32.1Very low105 Ų105123.2 Ų123.268%0.68273%0.732SS**  -137.3177.6-50.142.1-27000115.1
68V29Very low32Very low115 Ų115126.4 Ų126.470%0.69774%0.736SS**  trans43133.1130.8173.30000119.1
69Q31.2Very low31.9Very low160 Ų160126.5 Ų126.575%0.74873%0.733SS**  -169.8155.858.9-149.8135.233.100115.5
70N29.9Very low32.2Very low145 Ų145128.9 Ų128.978%0.77574%0.739SS**  trans31.1147.5148-60.20.4000125
71A36.8Very low32.4Very low90 Ų90130.5 Ų130.574%0.74474%0.74SS**  trans-83.2173.6159.800000112.1
72P34.8Very low32.7Very low125 Ų125130 Ų13081%0.81273%0.73SS**  -148.1178.792.240-23.1000116.7
73T34.5Very low33Very low127 Ų127129.8 Ų129.878%0.77973%0.729SS**  trans-86.9-172.2167.755.40000111
74P35.3Very low33.1Very low105 Ų105130 Ų13068%0.68273%0.725SS**  cis-141.9-174.92.941.6-21.2000117.5
75S27.9Very low33.5Very low100 Ų100131.7 Ų131.770%0.69973%0.728SS**  trans68.5156.4144.867.90000121.2
76T29.8Very low33.4Very low124 Ų124133.8 Ų133.876%0.76173%0.734SS**  cis-168.1179-31.435.50000109.1
77Y27.8Very low33.5Very low189 Ų189127.3 Ų127.374%0.74172%0.724SS**  trans79.8132.5174.7-86.7-110.8000115.7
78Y32.2Very low33.5Very low188 Ų188127.7 Ų127.774%0.73773%0.728SS**  cis73.1138.944.4-71.7-70.1000112
79D31Very low33.6Very low126 Ų126129.3 Ų129.367%0.67473%0.732SS**  cis-128.8168.610.4-65.8-76.6000110.1
80D35.8Very low33.6Very low145 Ų145126.7 Ų126.778%0.77573%0.731SS**  cis87.7108.731.3-132.61.3000115.5
81D34Very low33.6Very low154 Ų154125.8 Ų125.882%0.82473%0.725SS**  trans176.9158.2170.6-115.5-28.3000111.5
82S36Very low33.2Very low82 Ų82128 Ų12857%0.57372%0.723SS**  cis-169.6-167.1-4957.40000110.9
83N35.9Very low33Very low134 Ų134129 Ų12972%0.71772%0.717SS**  trans86.7137.3-174.6-57.3-82.1000115.2
84N37.6Very low32.7Very low126 Ų126128.1 Ų128.167%0.67472%0.716SS**  cis-167.8165.1-5.8-116.6-21.5000109.5
85N37.1Very low32.5Very low123 Ų123127.4 Ų127.466%0.65872%0.719SS**  cis-160.6-179.9-11.4-156.6-11.2000109.1
86N37Very low32.8Very low147 Ų147128.1 Ų128.179%0.78672%0.724SS**  trans66.3120.2161.4-59.1-19.6000118.1
87G33.7Very low32.8Very low64 Ų64132.7 Ų132.766%0.6673%0.727SS**  cis173.9164.6-500000113.7
88S36.6Very low32.9Very low112 Ų112130.1 Ų130.178%0.78373%0.726SS**  trans66.2115.2-174.263.70000115.8
89L30.2Very low32.8Very low149 Ų149128.3 Ų128.378%0.7873%0.729SS**  74.2128.364.8-73.2156.9000112.6L91L89-L91 HydrophobicContact CD2-CD1 3.82Å
90C32.4Very low32.7Very low105 Ų105129.2 Ų129.271%0.70973%0.733SS**  cis-123.4151.13.9-88.30000110.7
91L29.5Very low32.7Very low127 Ų127128.7 Ų128.767%0.66574%0.735SS**  63.213859-53.8176.1000112.7L89L89-L91 HydrophobicContact CD2-CD1 3.82Å
92I29.3Very low32.6Very low135 Ų135126.4 Ų126.469%0.69273%0.729SS**  cis-151.7167.16-131.7159.3000113.6
93Q29.2Very low32.5Very low148 Ų148132 Ų13269%0.69275%0.746SS**  trans-42.6177.9166.2-67.7128-8900116.6
94S28.7Very low32.3Very low108 Ų108131.9 Ų131.976%0.75575%0.749SS**  cis-156.213830.9-530000110
95A30.8Very low32.2Very low90 Ų90133.3 Ų133.374%0.74476%0.757SS**  75.8103.362.900000115.8
96S34.7Very low31.8Very low115 Ų115135.2 Ų135.280%0.80476%0.762SS**  trans169148.2153.6-83.60000111.3
97R29.9Very low31.8Very low219 Ų219132.3 Ų132.383%0.82675%0.753SS**  cis-163.6147.3-27.8-128.5176.8175.3179.7-1.9108.5
98L29.2Very low32.2Very low136 Ų136133.3 Ų133.371%0.71275%0.748SS**  trans23.7128.9153-57.5164.6000120.2
99D31.1Very low32.5Very low150 Ų150131.7 Ų131.780%0.80274%0.737SS**  -168.5-178.486.1-122.6-41.6000114.3
100L28.6Very low33Very low144 Ų144130.8 Ų130.875%0.75473%0.728SS**  trans-123.9160-162.1-79.7159.4000117
101T34.6Very low33.3Very low134 Ų134133.2 Ų133.282%0.82272%0.723SS**  trans75.6163.2167.381.90000117.6
102P32.9Very low34.2Very low107 Ų107136.3 Ų136.370%0.69573%0.726SS**  cis-119.3150.2-20.636-23.5000112.8
103H33.7Very low35.1Very low200 Ų200136.7 Ų136.793%0.92672%0.718SS**  trans-135.7106.6163.6-110.6-63000112.5
104T31.7Very low35.9Very low130 Ų130134 Ų13480%0.79871%0.708SS**  trans-85.7124.2174.339.60000111.2
105D34.5Very low37.2Very low156 Ų156136.2 Ų136.283%0.83470%0.704SS**  trans-154.988.7152.5-160.3-5.1000111.2S107D105-S107 PolarHBondContact O-N 2.97Å
106Q30.7Very low38.3Very low164 Ų164137.5 Ų137.577%0.76669%0.693SS**  trans-78.286.8-173.7-73.5-158.526.900112.7P108Q106-P108 WeakPolarHBondContact O-CD 3.42Å
107S34.9Very low38.8Very low85 Ų85141.4 Ų141.459%0.59469%0.69SS**  trans-58.6124.7175.8-166.90000112.5D105 S109D105-S107 PolarHBondContact O-N 2.97Å; S107-S109 PolarHBondContact O-N 3.36Å
108P43.7Very low40Very low85 Ų85135 Ų13555%0.55268%0.675SS**THydrogen-bonded Turntrans-67.832-173.3-25.235.9000118.1Q106 R112Q106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-R112 PolarHBondContact O-NE 3.24Å
109S41.8Very low41.1Very low78 Ų78131.5 Ų131.555%0.54566%0.662SS.*THydrogen-bonded Turntrans-104-26.4-172.362.10000114.4S107S107-S109 PolarHBondContact O-N 3.36Å
110H41.3Very low42Very low130 Ų130127.2 Ų127.260%0.60264%0.639SS**SBendtrans-74.5-49180-157.5-126.9000112.3R112 R113 L114H110-R112 PolarHBondContact O-N 2.57Å; H110-R112 VanDerWaalsContact O-N 3.07Å; H110-R113 WeakPolarHBondContact O-CB 3.42Å; H110-R113 PolarHBondContact O-N 3.44Å; H110-L114 PolarHBondContact O-N 3.17Å
111W39.5Very low43.1Very low157 Ų157124.9 Ų124.960%0.59563%0.626SS**Hα-helixtrans-54-29.5177.4-74.9107.4000114.7R113 K115W111-R113 VanDerWaalsContact C-N 3.31Å; W111-R113 PolarHBondContact O-N 3.27Å; W111-K115 WeakPolarHBondContact O-CB 3.36Å; W111-K115 PolarHBondContact O-N 3.2Å
112R47.7Very low43.9Very low192 Ų192124 Ų12473%0.72562%0.616SS**Hα-helixtrans-74.9-15.1176.9-58.1-174.6-161.6-143.2-2.3114P108 H110P108-R112 PolarHBondContact O-NE 3.24Å; H110-R112 PolarHBondContact O-N 2.57Å; H110-R112 VanDerWaalsContact O-N 3.07Å
113R47.3Very low44.7Very low143 Ų143123.8 Ų123.854%0.5461%0.606SS.*Hα-helixtrans-86.9-43.1169.8-78.9178.5165.7170-6.3111.3H110 W111 K116 R117H110-R113 WeakPolarHBondContact O-CB 3.42Å; H110-R113 PolarHBondContact O-N 3.44Å; W111-R113 VanDerWaalsContact C-N 3.31Å; W111-R113 PolarHBondContact O-N 3.27Å; R113-K116 PolarHBondContact O-N 3.29Å; R113-R117 PolarHBondContact O-N 3.1Å
114L47.3Very low45.1Very low91 Ų91120.6 Ų120.648%0.47659%0.593SS.*Hα-helixtrans-64.3-49.6178.7-120.170.5000112.3H110 K116 R117 T118H110-L114 PolarHBondContact O-N 3.17Å; L114-K116 PolarHBondContact O-N 3.17Å; L114-K116 VanDerWaalsContact O-N 3.15Å; L114-R117 PolarHBondContact O-N 2.77Å; L114-T118 PolarHBondContact O-N 3.14Å; L114-T118 VanDerWaalsContact O-N 3.07Å; L114-T118 PolarHBondContact O-OG1 3.38Å
115K56Low45.8Very low154 Ų154121 Ų12167%0.6759%0.586SS**Hα-helixtrans-64.2-17.1176.3-70.9-166.7175.4-172.80113.9W111 T118 S119W111-K115 WeakPolarHBondContact O-CB 3.36Å; W111-K115 PolarHBondContact O-N 3.2Å; K115-T118 WeakPolarHBondContact CA-OG1 3.01Å; K115-T118 PolarHBondContact O-OG1 2.77Å; K115-S119 WeakPolarHBondContact O-CB 3.14Å; K115-S119 PolarHBondContact O-N 3.44Å
116K53.7Low46.2Very low118 Ų118120.4 Ų120.451%0.51358%0.583SS.*Hα-helixtrans-86.2-43.2172.1-177.4147.8178.1520112.5R113 L114 T118 S119 D120R113-K116 PolarHBondContact O-N 3.29Å; L114-K116 PolarHBondContact O-N 3.17Å; L114-K116 VanDerWaalsContact O-N 3.15Å; K116-T118 VanDerWaalsContact C-N 3.3Å; K116-T118 PolarHBondContact O-N 3.33Å; K116-S119 PolarHBondContact O-N 3.04Å; K116-D120 WeakPolarHBondContact CE-OD2 3.49Å; K116-D120 VanDerWaalsContact CG-OD2 3.25Å; K116-D120 WeakPolarHBondContact CG-OD2 3.35Å; K116-D120 IonicContact NZ-OD1 2.56Å; K116-D120 PolarHBondContact NZ-OD1 3.39Å; K116-D120 IonicContact NZ-OD2 2.98Å; K116-D120 PolarHBondContact NZ-OD2 3.11Å; K116-D120 WeakPolarHBondContact O-CB 3.29Å; K116-D120 PolarHBondContact O-N 2.81Å
117R45.3Very low46.8Very low197 Ų197119 Ų11974%0.74357%0.574SS**Hα-helixtrans-59.9-39.3174.2-92.8-176.3164.9176-7.3112.4R113 L114 I121R113-R117 PolarHBondContact O-N 3.1Å; L114-R117 PolarHBondContact O-N 2.77Å; R117-I121 WeakPolarHBondContact O-CD1 3.46Å; R117-I121 WeakPolarHBondContact O-CG1 3.41Å; R117-I121 PolarHBondContact O-N 3.39Å
118T54.6Low46.9Very low83 Ų83121.8 Ų121.851%0.50958%0.582SS.*Hα-helixtrans-70.5-42.317743.80000112.9L114 K115 K116 I121 L122L114-T118 PolarHBondContact O-N 3.14Å; L114-T118 VanDerWaalsContact O-N 3.07Å; L114-T118 PolarHBondContact O-OG1 3.38Å; K115-T118 WeakPolarHBondContact CA-OG1 3.01Å; K115-T118 PolarHBondContact O-OG1 2.77Å; K116-T118 VanDerWaalsContact C-N 3.3Å; K116-T118 PolarHBondContact O-N 3.33Å; T118-I121 PolarHBondContact O-N 2.8Å; T118-L122 PolarHBondContact O-N 3.16Å; T118-L122 VanDerWaalsContact O-N 3.08Å
119S53.3Low46.6Very low63 Ų63125.4 Ų125.444%0.44160%0.596SS.*Hα-helixtrans-63.3-42174.1-169.10000112.6K115 K116 I121 E123K115-S119 WeakPolarHBondContact O-CB 3.14Å; K115-S119 PolarHBondContact O-N 3.44Å; K116-S119 PolarHBondContact O-N 3.04Å; S119-I121 PolarHBondContact O-N 2.73Å; S119-E123 WeakPolarHBondContact O-CB 3.08Å; S119-E123 PolarHBondContact O-N 3.43Å; S119-E123 VanDerWaalsContact O-N 3.09Å
120D48.7Very low46.3Very low60 Ų60131.5 Ų131.532%0.32161%0.613SS.*Hα-helixtrans-70.2-20.7-179.8-64.8-14.6000112K116 M124K116-D120 WeakPolarHBondContact CE-OD2 3.49Å; K116-D120 VanDerWaalsContact CG-OD2 3.25Å; K116-D120 WeakPolarHBondContact CG-OD2 3.35Å; K116-D120 IonicContact NZ-OD1 2.56Å; K116-D120 PolarHBondContact NZ-OD1 3.39Å; K116-D120 IonicContact NZ-OD2 2.98Å; K116-D120 PolarHBondContact NZ-OD2 3.11Å; K116-D120 WeakPolarHBondContact O-CB 3.29Å; K116-D120 PolarHBondContact O-N 2.81Å; D120-M124 WeakPolarHBondContact O-CE 3.37Å; D120-M124 WeakPolarHBondContact O-CG 3.36Å
121I52.2Low45.9Very low95 Ų95131.7 Ų131.749%0.48762%0.623SS.*Hα-helixtrans-82.4-48.1174.1-73167000111.3R117 T118 S119 E123 M124 Q125R117-I121 WeakPolarHBondContact O-CD1 3.46Å; R117-I121 WeakPolarHBondContact O-CG1 3.41Å; R117-I121 PolarHBondContact O-N 3.39Å; T118-I121 PolarHBondContact O-N 2.8Å; S119-I121 PolarHBondContact O-N 2.73Å; I121-E123 VanDerWaalsContact C-N 3.26Å; I121-E123 PolarHBondContact O-N 2.84Å; I121-M124 PolarHBondContact O-N 3.22Å; I121-M124 VanDerWaalsContact O-N 3.09Å; I121-Q125 PolarHBondContact O-N 3.08Å
122L50.6Low45.8Very low115 Ų115129.8 Ų129.860%0.60263%0.634SS**Hα-helixtrans-60.1-35.4176.5-112.473.1000112.5T118 M124T118-L122 PolarHBondContact O-N 3.16Å; T118-L122 VanDerWaalsContact O-N 3.08Å; L122-M124 VanDerWaalsContact C-N 3.29Å; L122-M124 PolarHBondContact O-N 3.02Å
123E50.8Low45.3Very low104 Ų104125.7 Ų125.749%0.48664%0.635SS.*Hα-helixtrans-78.1-10.8179.5-153.3-177.7154.400113.6S119 I121 K127S119-E123 WeakPolarHBondContact O-CB 3.08Å; S119-E123 PolarHBondContact O-N 3.43Å; S119-E123 VanDerWaalsContact O-N 3.09Å; I121-E123 VanDerWaalsContact C-N 3.26Å; I121-E123 PolarHBondContact O-N 2.84Å; E123-K127 IonicContact OE1-NZ 3.82Å; E123-K127 PolarHBondContact OE1-NZ 3.44Å
124M42.1Very low44.6Very low133 Ų133125 Ų12566%0.65565%0.647SS**Hα-helixtrans-92.7-24.1171.8-76.5-167.7-70.800113.4D120 I121 L122D120-M124 WeakPolarHBondContact O-CE 3.37Å; D120-M124 WeakPolarHBondContact O-CG 3.36Å; I121-M124 PolarHBondContact O-N 3.22Å; I121-M124 VanDerWaalsContact O-N 3.09Å; L122-M124 VanDerWaalsContact C-N 3.29Å; L122-M124 PolarHBondContact O-N 3.02Å
125Q45Very low44Very low137 Ų137127.5 Ų127.564%0.6466%0.66SS**Hα-helixtrans-75.6-32.6173.9-69.5179.3-63.100112.3I121 K127I121-Q125 PolarHBondContact O-N 3.08Å; Q125-K127 VanDerWaalsContact C-N 3.35Å; Q125-K127 PolarHBondContact O-N 3.05Å
126N44.6Very low43Very low144 Ų144128 Ų12877%0.7766%0.664SS**THydrogen-bonded Turntrans-88.322-177.4-85.8-25.1000115.7
127K43.3Very low42Very low136 Ų136126.8 Ų126.859%0.59167%0.671SS**THydrogen-bonded Turntrans-137.821.5-178.4-63.3-174-173.3174.30114.8E123 Q125E123-K127 IonicContact OE1-NZ 3.82Å; E123-K127 PolarHBondContact OE1-NZ 3.44Å; Q125-K127 VanDerWaalsContact C-N 3.35Å; Q125-K127 PolarHBondContact O-N 3.05Å
128N37.1Very low41.5Very low143 Ų143125 Ų12577%0.76567%0.671SS**SBendtrans-12431.1-174.7-103.2-5.4000113.7
129L35.9Very low40.5Very low160 Ų160127.6 Ų127.684%0.83868%0.68SS**  trans-132.4153.9166.5-82.993.1000110.8
130K35.5Very low39.3Very low206 Ų206129.4 Ų129.490%0.89669%0.693SS**  trans75.773.2176.9-56.8-167.8176.3-171.30117.2
131T33.9Very low38.5Very low135 Ų135131.7 Ų131.783%0.82871%0.714SS**  trans-140.7142.5146.549.70000108.7
132S36.7Very low37.4Very low116 Ų116133.7 Ų133.781%0.81173%0.73SS**  trans71.6142.3-172-135.10000113.9
133S38.1Very low36.4Very low107 Ų107132.2 Ų132.275%0.74873%0.734SS**  cis-152.8166.6-106.70000110.9
134T32.4Very low35.4Very low129 Ų129133.6 Ų133.679%0.79175%0.75SS**  trans-80.6174.5-177.1-35.50000113.5
135L35Very low34.7Very low143 Ų143132 Ų13275%0.74975%0.75SS**  trans83.6142.3173.1-48.7174.4000113.8
136E34.4Very low33.9Very low163 Ų163132.1 Ų132.176%0.76276%0.756SS**  cis-148.6-173.51.9-139.5153.5-141.500113.2
137S31.7Very low33.1Very low94 Ų94129.9 Ų129.966%0.65775%0.751SS**  trans-59.8164.2-177.853.40000114
138Q35.1Very low32.4Very low158 Ų158131.5 Ų131.574%0.73876%0.761SS**  -165161.554.5-70.8179.36.600113.8
139I33.5Very low31.8Very low139 Ų139130.5 Ų130.571%0.71376%0.76SS**  trans39.6108.6138.7-57.7163.6000116.8
140S29.5Very low31.3Very low101 Ų101128.1 Ų128.171%0.70676%0.757SS**  75.513152-165.60000115.8
141S30.4Very low30.9Very low108 Ų108122.7 Ų122.776%0.75575%0.745SS**  trans65152.9167.278.20000117
142V29.4Very low30.7Very low137 Ų137125 Ų12583%0.8374%0.744SS**  cis-150.3171.6-17116.20000108.4
143A29.4Very low30.4Very low83 Ų83127.6 Ų127.669%0.68674%0.741SS**  trans-41.5152.5-18000000117.2
144T30.9Very low30.1Very low134 Ų134128.4 Ų128.482%0.82274%0.744SS**  -164.5142.4117.1-75.30000111.5
145C26Very low30Very low98 Ų98127.5 Ų127.566%0.66274%0.738SS**  trans-24.6157171.3-48.90000120.5
146N28.3Very low29.6Very low140 Ų140126.6 Ų126.675%0.74974%0.738SS**  trans52.4104131.7-60.68000117.5
147S27.8Very low29.3Very low97 Ų97123.8 Ų123.868%0.67873%0.732SS**  76.7163.287.174.10000114
148E28.4Very low29.1Very low171 Ų171126.1 Ų126.180%0.79974%0.737SS**  trans66.790.9179.8-62.6178.8-162.600114.4
149T26.1Very low28.7Very low121 Ų121124.8 Ų124.874%0.74274%0.74SS**  70.5110.390.657.80000117
150S25.6Very low28.4Very low111 Ų111124.2 Ų124.278%0.77674%0.743SS**  trans81.6158.314083.20000121.5
151S26.7Very low28.3Very low92 Ų92124.3 Ų124.364%0.64374%0.744SS**  trans97.8140.5154.482.50000119.6
152F30.1Very low28.3Very low184 Ų184125.4 Ų125.481%0.80775%0.746SS**  trans58.1113.9172.5-59.1-78.1000117.7
153F29Very low28.2Very low170 Ų170124.6 Ų124.675%0.74675%0.745SS**  cis58.2127.448.9-66.9-77.3000113.6
154P33.5Very low28.2Very low124 Ų124123.9 Ų123.981%0.80575%0.746SS**  -97152.466.9-15.333.5000114
155T28.8Very low28.2Very low109 Ų109125.1 Ų125.167%0.66975%0.745SS**  cis82.1121.336.7-59.20000111.2
156V28.2Very low28.4Very low125 Ų125125.5 Ų125.576%0.75875%0.749SS**  cis-154.5178.71.3102.50000113.3
157T27.9Very low28.6Very low103 Ų103121.8 Ų121.863%0.63274%0.744SS**  trans-45.8166.8179.763.80000118.9
158N26.9Very low28.8Very low144 Ų144127.2 Ų127.277%0.7775%0.751SS**  trans21.8116.2136-57.3-17.9000118.5
159T26.5Very low29Very low129 Ų129124.9 Ų124.979%0.79174%0.744SS**  -165.1114.5120.215.50000107.5
160V27.8Very low29.2Very low127 Ų127125.4 Ų125.477%0.7774%0.742SS**  81.5144.992.9166.40000113
161S27.8Very low29.4Very low104 Ų104125.2 Ų125.273%0.72774%0.736SS**  trans75.6139178.1-63.70000116
162T29.6Very low29.4Very low130 Ų130128.4 Ų128.480%0.79874%0.741SS**  cis-151.3166.82.3-5.30000113.4
163C26.4Very low29.3Very low120 Ų120125.5 Ų125.581%0.81173%0.733SS**  trans-39.2154.5172.7-50.60000116.1
164G30.4Very low29.4Very low68 Ų68122.4 Ų122.470%0.70173%0.732SS**  cis144.2-152.41.400000112
165I29.7Very low29Very low160 Ų160122.8 Ų122.882%0.82173%0.727SS**  trans75.6110.3167.5-51.1174.3000116.6
166S30.1Very low28.9Very low106 Ų106121.8 Ų121.874%0.74173%0.725SS**  trans47.1137.215867.70000121.1
167G33.6Very low28.8Very low62 Ų62122.6 Ų122.664%0.63973%0.725SS**  cis130.81650.400000112.7
168Y31.3Very low28.8Very low211 Ų211125.4 Ų125.483%0.82773%0.733SS**  trans66.2131.4170.9-55.8-73.5000115.7
169N33.5Very low28.8Very low122 Ų122126.2 Ų126.265%0.65273%0.732SS**  cis-142.314510.2-85.6-52000112.2
170N30Very low28.9Very low132 Ų132124.2 Ų124.271%0.70672%0.724SS**  trans61.6124138.9-57.3-3.5000119.3
171V29.7Very low28.9Very low107 Ų107123.6 Ų123.665%0.64872%0.716SS**  70.2129.159.9175.70000110.2
172E27.9Very low29Very low159 Ų159126.4 Ų126.474%0.74372%0.715SS**  cis-131.1148.416.6-130.2119.4-143.200109.1
173I27.9Very low29Very low124 Ų124127.1 Ų127.164%0.63671%0.714SS**  44.4117.782.9-42.5176.2000111.1
174S29.6Very low28.9Very low105 Ų105127 Ų12773%0.73471%0.713SS**  -161.2145.274-49.90000109.6
175N25.2Very low28.8Very low131 Ų131130.1 Ų130.170%0.70171%0.713SS**  54.594.758.7-64.9-4.5000110.1
176S27.7Very low28.7Very low89 Ų89131.7 Ų131.762%0.62271%0.71SS**  83.115680.473.30000112.6
177D26.4Very low28.6Very low141 Ų141134 Ų13475%0.75471%0.709SS**  trans70.6118.1159.8-51.9-51.7000120.2
178M26.3Very low28.3Very low163 Ų163136.2 Ų136.280%0.80372%0.715SS**  trans71.6164.5142.7-61-134.270.500120.7
179E28Very low28.3Very low161 Ų161135.3 Ų135.375%0.75272%0.715SS**  trans45102.9156.9-72.6172.4120.700119
180S28.1Very low28.4Very low87 Ų87135.6 Ų135.661%0.60872%0.724SS**  113.6171.166.369.70000110.2
181N27.7Very low28.2Very low114 Ų114134 Ų13461%0.6172%0.723SS**  trans64.5114.1154.3-76.4-68.3000120.7
182K30.5Very low28Very low162 Ų162133.5 Ų133.570%0.70472%0.724SS**  82.6105126.7-65.1174.9178.8109.50120.4
183N28.6Very low27.8Very low145 Ų145133.1 Ų133.178%0.77573%0.727SS**  72.3103.7115.3-59.92.8000121.3
184C25.1Very low27.7Very low118 Ų118131.7 Ų131.780%0.79773%0.728SS**  84.5166.2112.2-156.30000119.4
185L28.3Very low27.6Very low134 Ų134131.5 Ų131.570%0.70273%0.727SS**  trans80.4103.7167.3-58.7176.9000119.1
186Y27Very low27.7Very low192 Ų192132.1 Ų132.175%0.75373%0.729SS**  88.8134.4120.4-90.1-146.5000122.2
187Q28.5Very low27.7Very low156 Ų156135.3 Ų135.373%0.72974%0.737SS**  trans82108.2136.1-75.6179.1-6.300122.4
188S28Very low28Very low107 Ų107133.4 Ų133.475%0.74873%0.733SS**  96.6121.3115.5-61.60000121.8
189F30.6Very low28.2Very low193 Ų193133.2 Ų133.285%0.84673%0.734SS**  trans-41.4159.6142.1-75.6-74.5000113.2
190P35Very low28.4Very low127 Ų127128.9 Ų128.983%0.82573%0.733SS**  -153.2-170.353.344.3-22.3000118.8
191S25.7Very low28.7Very low98 Ų98132 Ų13269%0.68574%0.743SS**  trans-70.6163.5-178.2-49.20000115.9
192S26.3Very low29.1Very low97 Ų97131.1 Ų131.168%0.67875%0.751SS**  trans69.8137.8141.363.30000120.5
193N24.1Very low29.4Very low151 Ų151128 Ų12881%0.80775%0.749SS**  trans64.8145162.4-54.1-18.8000116.6
194S25.9Very low29.6Very low94 Ų94127.5 Ų127.566%0.65775%0.746SS**  cis-177.2160.1-21.357.40000107.8
195S27.2Very low29.9Very low102 Ų102130 Ų13071%0.71375%0.751SS**  trans77.4161155-42.40000118.8
196I26.4Very low30.4Very low143 Ų143130.4 Ų130.473%0.73375%0.753SS**  trans82.191.1155.7-65.6160.1000117.7
197I28.8Very low30.7Very low156 Ų156125 Ų12580%0.874%0.737SS**  81.5150.2116-83.9160.7000118.2
198P32.9Very low31.1Very low101 Ų101122.4 Ų122.466%0.65673%0.734SS**  -141.9-165.7-112.646.9-30.5000116.9
199L29.6Very low31.1Very low160 Ų160119.3 Ų119.384%0.83872%0.719SS**  trans44.4118.7152.7-93.976000120.7
200G32.7Very low31.7Very low70 Ų70119 Ų11972%0.72272%0.717SS**  trans148.3144.813500000115.7
201N32.9Very low32.1Very low153 Ų153122.6 Ų122.682%0.81872%0.72SS**  cis-168.7169-25.8-113.5-5.1000109.4
202A37.6Very low32.9Very low94 Ų94123 Ų12378%0.77772%0.721SS**  trans79.8140.2174.700000117.6
203S36.8Very low33.4Very low96 Ų96123.9 Ų123.967%0.67173%0.725SS**SBendcis-163.4134.2-13.4-95.40000110.6
204L32.5Very low34.2Very low136 Ų136121.3 Ų121.371%0.71272%0.717SS**  cis-122.1-140.7-12.6-61.3171.1000110.6D207L204-D207 WeakPolarHBondContact CA-OD2 3.17Å; L204-D207 WeakPolarHBondContact CB-OD1 3.32Å; L204-D207 WeakPolarHBondContact CB-OD2 3.3Å; L204-D207 PolarHBondContact N-OD2 3.17Å
205L30.6Very low34.6Very low170 Ų170123.4 Ų123.489%0.8972%0.72SS**SBendtrans-131.478.2-166.9-176.8121.9000112.3D207L205-D207 PolarHBondContact N-OD1 2.84Å
206L39.7Very low35.2Very low143 Ų143122.9 Ų122.975%0.74972%0.717SS**SBendtrans-159.5-51.9152.8-179.5170.9000110.6
207D33.5Very low35.6Very low77 Ų77123.7 Ų123.741%0.41272%0.715SS.*  cis-140.3140-7.5-148.650000113L204 L205L204-D207 WeakPolarHBondContact CA-OD2 3.17Å; L204-D207 WeakPolarHBondContact CB-OD1 3.32Å; L204-D207 WeakPolarHBondContact CB-OD2 3.3Å; L204-D207 PolarHBondContact N-OD2 3.17Å; L205-D207 PolarHBondContact N-OD1 2.84Å
208P35.2Very low35.8Very low103 Ų103126.5 Ų126.567%0.66972%0.715SS**SBendcis-113101.9-28.9200.3000111.6
209G30Very low35.9Very low42 Ų42128.1 Ų128.143%0.43372%0.717SS.*  trans77.6173.9177.300000114.4
210K41.4Very low36.1Very low187 Ų187125.3 Ų125.381%0.81371%0.711SS**  cis-140.4143.6-4.3-54.6170.5-174.4170.20105.4
211F44.9Very low36.8Very low201 Ų201128.2 Ų128.288%0.88272%0.717SS**  cis-146.8151.542.6-111.2-98.3000112.8
212C42Very low36.6Very low106 Ų106124.4 Ų124.472%0.71671%0.714SS**  trans-93.3179.4164.9-128.80000109.1
213P37.4Very low36.3Very low117 Ų117124.6 Ų124.676%0.7672%0.716SS**  cis-147.1-156.446.845.8-21.8000113.8
214P40.8Very low36.1Very low97 Ų97125.8 Ų125.863%0.6372%0.724SS**  -139.6175.8-95.742.6-23.4000117.7
215N34.4Very low36Very low137 Ų137122.9 Ų122.973%0.73373%0.727SS**  trans67.2150.2154.8-83.8-28.7000119.6
216S38.2Very low36.1Very low91 Ų91120.2 Ų120.264%0.63672%0.722SS**  cis-162.5136.9-7.6450000113.3
217K35.4Very low36Very low160 Ų160118.5 Ų118.570%0.69672%0.722SS**  47.7148128.4-56.2173.6178.8173.80119
218W32.7Very low35.9Very low215 Ų215121.3 Ų121.381%0.81474%0.736SS**  cis-169.2176.915.4-126.5-165.3000107.5
219I35.6Very low35.9Very low135 Ų135121.4 Ų121.469%0.69275%0.745SS**  cis-150.4-154-0.1-159.8166.6000108.7
220S34.6Very low36.2Very low102 Ų102122.9 Ų122.971%0.71375%0.754SS**  trans-161.5-165.7177.8-730000110.3
221P47.5Very low35.8Very low131 Ų131117 Ų11785%0.85174%0.74SS**  -127.2178-68.538.8-24.8000113.5
222G28.1Very low35.4Very low73 Ų73115 Ų11575%0.75374%0.737SS**  trans-178.8137.5166.400000118.2
223A31.6Very low35.4Very low97 Ų97115.6 Ų115.680%0.80274%0.738SS**  trans60.1129.2157.400000122.5
224S32.6Very low35.2Very low122 Ų122114 Ų11485%0.85374%0.735SS**  trans45.5116.9143.760.30000122
225G30.4Very low35.1Very low74 Ų74114.7 Ų114.776%0.76374%0.737SS**  trans118.6105.3139.600000118.5
226S33.2Very low35.1Very low115 Ų115114 Ų11480%0.80473%0.733SS**SBendtrans65.5169.7152.8-1540000119.9I228S226-I228 PolarHBondContact O-N 3.13Å; S226-I228 VanDerWaalsContact O-N 3.09Å
227S37.1Very low35.3Very low107 Ų107115 Ų11575%0.74873%0.73SS**  trans68.2-8.4160.8-145.30000121.9A229S227-A229 VanDerWaalsContact C-N 3.26Å; S227-A229 PolarHBondContact O-N 3.19Å
228I30.1Very low35.4Very low136 Ų136114.4 Ų114.470%0.69773%0.73SS**G310 helixtrans-76-7.4-175-47.4-176.4000114.2S226 A230 A231S226-I228 PolarHBondContact O-N 3.13Å; S226-I228 VanDerWaalsContact O-N 3.09Å; I228-A230 PolarHBondContact O-N 2.77Å; I228-A231 HydrophobicContact CG2-CB 4.01Å; I228-A231 PolarHBondContact O-N 2.75Å
229A35.6Very low36.4Very low104 Ų104111 Ų11186%0.8672%0.723SS**G310 helixtrans-60.7-9.9-179.700000115.5S227S227-A229 VanDerWaalsContact C-N 3.26Å; S227-A229 PolarHBondContact O-N 3.19Å
230A36.6Very low37.7Very low74 Ų74115 Ų11561%0.61273%0.729SS**G310 helixtrans-85-25.8172.700000113.9I228 T233I228-A230 PolarHBondContact O-N 2.77Å; A230-T233 WeakPolarHBondContact O-CB 3.33Å; A230-T233 PolarHBondContact O-N 2.66Å; A230-T233 PolarHBondContact O-OG1 3.45Å
231A32.3Very low39.7Very low64 Ų64114 Ų11453%0.52971%0.712SS.*G310 helixtrans-77.9-30.6-160.700000115.4I228 T233I228-A231 HydrophobicContact CG2-CB 4.01Å; I228-A231 PolarHBondContact O-N 2.75Å; A231-T233 VanDerWaalsContact C-N 3.25Å; A231-T233 PolarHBondContact O-N 3.32Å
232L36.9Very low41.5Very low157 Ų157115.5 Ų115.582%0.82271%0.706SS**G310 helixtrans-79.7-5.3177.9-67.7177.4000113.7A234L232-A234 PolarHBondContact O-N 3.49Å
233T42.1Very low44.4Very low120 Ų120120 Ų12074%0.73671%0.705SS**G310 helixtrans-74.7-8.7175.8-30.40000112.7A230 A231A230-T233 WeakPolarHBondContact O-CB 3.33Å; A230-T233 PolarHBondContact O-N 2.66Å; A230-T233 PolarHBondContact O-OG1 3.45Å; A231-T233 VanDerWaalsContact C-N 3.25Å; A231-T233 PolarHBondContact O-N 3.32Å
234A34.3Very low47.1Very low84 Ų84116.7 Ų116.769%0.69468%0.679SS**G310 helixtrans-105.925.6-173.700000114.4L232 N236L232-A234 PolarHBondContact O-N 3.49Å; A234-N236 PolarHBondContact O-N 3Å
235V36.9Very low50Low110 Ų110113.5 Ų113.567%0.66765%0.653SS**  trans-57.6126.6166176.70000108.7I237V235-I237 VanDerWaalsContact C-N 3.31Å; V235-I237 PolarHBondContact O-N 2.85Å
236N35.2Very low52.9Low123 Ų123113.2 Ų113.266%0.65864%0.636SS**  trans-69.379.6-174-176.81.6000112.2A234 Q238A234-N236 PolarHBondContact O-N 3Å; N236-Q238 PolarHBondContact O-N 3.48Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.11Å; N236-Q238 VanDerWaalsContact OD1-CG 3.29Å; N236-Q238 WeakPolarHBondContact OD1-CG 3.49Å; N236-Q238 PolarHBondContact OD1-N 2.83Å
237I42.5Very low55.6Low112 Ų112110.4 Ų110.457%0.57461%0.614SS**  trans-79.455.3170.9-45.2-175000110.1V235 Q239V235-I237 VanDerWaalsContact C-N 3.31Å; V235-I237 PolarHBondContact O-N 2.85Å; I237-Q239 HydrophobicContact CG2-CB 3.84Å; I237-Q239 HydrophobicContact CG2-CG 4.14Å; I237-Q239 PolarHBondContact O-N 3.12Å
238Q37.9Very low58.2Low147 Ų147111.1 Ų111.169%0.68760%0.604SS**  trans-75.331147.3-74.4-1673200111.6N236 R240N236-Q238 PolarHBondContact O-N 3.48Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.11Å; N236-Q238 VanDerWaalsContact OD1-CG 3.29Å; N236-Q238 WeakPolarHBondContact OD1-CG 3.49Å; N236-Q238 PolarHBondContact OD1-N 2.83Å; Q238-R240 PolarHBondContact O-N 3.34Å
239Q52.7Low60.9Low145 Ų145106.3 Ų106.368%0.67858%0.581SS**  trans-61.493.8156.2-70.1-167.9-10.800107.7I237 F241I237-Q239 HydrophobicContact CG2-CB 3.84Å; I237-Q239 HydrophobicContact CG2-CG 4.14Å; I237-Q239 PolarHBondContact O-N 3.12Å; Q239-F241 VanDerWaalsContact C-N 3.34Å; Q239-F241 PolarHBondContact O-N 3.49Å
240R64.2Low63.2Low217 Ų217107.9 Ų107.982%0.81958%0.582SS**  trans-6292.1-179.6-71.9178.5171.7-176.6-2.8109.4Q238 K242Q238-R240 PolarHBondContact O-N 3.34Å; R240-K242 PolarHBondContact O-N 3.14Å; R240-K242 VanDerWaalsContact O-N 3.15Å
241F76.1Confident65.3Low81 Ų81111.2 Ų111.236%0.35559%0.59SS.*  trans-46.8121.4177.9-66.3-78000110.4Q239 D245 V247 F257 W262Q239-F241 VanDerWaalsContact C-N 3.34Å; Q239-F241 PolarHBondContact O-N 3.49Å; F241-D245 VanDerWaalsContact CA-OD2 3.24Å; F241-D245 WeakPolarHBondContact CA-OD2 3.43Å; F241-D245 HydrophobicContact CD1-CB 4.34Å; F241-V247 HydrophobicContact CD1-CG2 4.39Å; F241-V247 HydrophobicContact CE1-CG2 3.88Å; F241-F257 HydrophobicContact CB-CB 4.33Å; F241-F257 HydrophobicContact CB-CD1 3.88Å; F241-F257 HydrophobicContact CB-CE1 4.4Å; F241-F257 HydrophobicContact CB-CG 4.15Å; F241-F257 WeakPolarHBondContact O-CD1 3.18Å; F241-F257 WeakPolarHBondContact O-CE1 3.29Å; F241-W262 HydrophobicContact CB-CH2 4.45Å; F241-W262 HydrophobicContact CB-CZ2 4.39Å; F241-W262 AromaticContact CD1-CH2 3.78Å; F241-W262 HydrophobicContact CD1-CH2 3.78Å; F241-W262 HydrophobicContact CD1-CZ2 4.1Å; F241-W262 HydrophobicContact CD2-CH2 4.24Å; F241-W262 AromaticContact CD2-CZ2 3.7Å; F241-W262 HydrophobicContact CD2-CZ2 3.7Å; F241-W262 HydrophobicContact CE1-CH2 4.03Å; F241-W262 HydrophobicContact CE1-CZ2 4.31Å; F241-W262 HydrophobicContact CE2-CH2 4.46Å; F241-W262 AromaticContact CE2-CZ2 3.93Å; F241-W262 HydrophobicContact CE2-CZ2 3.93Å; F241-W262 AromaticContact CG-CH2 3.89Å; F241-W262 HydrophobicContact CG-CH2 3.89Å; F241-W262 AromaticContact CG-CZ2 3.79Å; F241-W262 HydrophobicContact CG-CZ2 3.79Å; F241-W262 HydrophobicContact CZ-CH2 4.36Å; F241-W262 HydrophobicContact CZ-CZ2 4.23Å
242K85.1Confident67.8Low163 Ų163110.3 Ų110.371%0.70959%0.587SS**  trans-79.5160.1-177.5-63177.4-169.4-81.50109.5R240 G244 D245R240-K242 PolarHBondContact O-N 3.14Å; R240-K242 VanDerWaalsContact O-N 3.15Å; K242-G244 VanDerWaalsContact C-N 3.26Å; K242-G244 PolarHBondContact O-N 2.91Å; K242-D245 VanDerWaalsContact N-CG 3.32Å; K242-D245 PolarHBondContact N-OD2 3.35Å; K242-D245 VanDerWaalsContact O-CG 3.29Å; K242-D245 PolarHBondContact O-N 3.44Å
243K89.7Confident70.2Confident169 Ų169104.2 Ų104.274%0.73556%0.556SS**THydrogen-bonded Turntrans-69.882.4178.5179.5-166.8166.3-164.90109.8
244G87.7Confident72.6Confident26 Ų2699.3 Ų99.327%0.26852%0.524SS..THydrogen-bonded Turntrans170.2-38.6-173.300000112.4K242 K256 F257K242-G244 VanDerWaalsContact C-N 3.26Å; K242-G244 PolarHBondContact O-N 2.91Å; G244-K256 WeakPolarHBondContact O-CE 3.41Å; G244-K256 PolarHBondContact O-NZ 2.93Å; G244-F257 PolarHBondContact N-O 3.33Å
245D92.9Very high75.4Confident56 Ų5698.9 Ų98.930%0.29951%0.506SS..  trans-59139.7-163.1-56.88.4000113.2F241 K242 K256 F257F241-D245 VanDerWaalsContact CA-OD2 3.24Å; F241-D245 WeakPolarHBondContact CA-OD2 3.43Å; F241-D245 HydrophobicContact CD1-CB 4.34Å; K242-D245 VanDerWaalsContact N-CG 3.32Å; K242-D245 PolarHBondContact N-OD2 3.35Å; K242-D245 VanDerWaalsContact O-CG 3.29Å; K242-D245 PolarHBondContact O-N 3.44Å; D245-K256 CarbonylContact O-C 3.4Å; D245-K256 VanDerWaalsContact O-CA 3.25Å; D245-K256 WeakPolarHBondContact O-CA 3.47Å; D245-F257 PolarHBondContact O-N 3.05Å
246V91.7Very high78.2Confident68 Ų6897.2 Ų97.241%0.41249%0.49SS..EExtended strand (participates in β ladder)trans-124.3113.6-177.9178.20000110K255 K256 L265V246-K255 CarbonylContact C-O 3.59Å; V246-K255 VanDerWaalsContact CA-O 3.24Å; V246-K255 WeakPolarHBondContact CA-O 3.23Å; V246-K256 HydrophobicContact CG2-CB 4.14Å; V246-K256 HydrophobicContact CG2-CD 4.15Å; V246-K256 HydrophobicContact CG2-CG 4.19Å; V246-L265 HydrophobicContact CG1-CD1 3.77Å; V246-L265 HydrophobicContact CG2-CD1 3.87Å
247V91Very high80.9Confident55 Ų5593.3 Ų93.333%0.33347%0.467SS..EExtended strand (participates in β ladder)trans-108.2139.8-178.6177.10000110.1F241 K255 W262F241-V247 HydrophobicContact CD1-CG2 4.39Å; F241-V247 HydrophobicContact CE1-CG2 3.88Å; V247-K255 PolarHBondContact N-O 2.92Å; V247-K255 PolarHBondContact O-N 2.96Å; V247-W262 HydrophobicContact CB-CH2 4.22Å; V247-W262 HydrophobicContact CB-CZ3 4.15Å; V247-W262 HydrophobicContact CG2-CH2 3.63Å; V247-W262 HydrophobicContact CG2-CZ3 3.95Å
248K90.9Very high83Confident122 Ų12290.5 Ų90.553%0.5345%0.454SS..EExtended strand (participates in β ladder)trans-95.6124.7166.3-70.3-179.5-173.7-1670108.6R254 E269K248-R254 HydrophobicContact CG-CG 3.96Å; K248-E269 WeakPolarHBondContact CE-OE1 3.45Å; K248-E269 IonicContact NZ-OE1 3.71Å; K248-E269 PolarHBondContact NZ-OE1 2.88Å; K248-E269 IonicContact NZ-OE2 2.7Å; K248-E269 PolarHBondContact NZ-OE2 3.24Å
249T85.7Confident85.3Confident36 Ų3685.4 Ų85.422%0.22144%0.44CS..  trans-76155.1164.163.10000109.8N251 G252 V253 K255T249-N251 PolarHBondContact O-N 3.46Å; T249-N251 VanDerWaalsContact O-N 3.08Å; T249-G252 PolarHBondContact O-N 2.82Å; T249-V253 PolarHBondContact N-O 2.9Å; T249-V253 WeakPolarHBondContact OG1-CB 3.46Å; T249-V253 PolarHBondContact OG1-N 3.45Å; T249-V253 PolarHBondContact OG1-O 2.9Å; T249-K255 HydrophobicContact CG2-CD 4.47Å
250P85.1Confident86.9Confident137 Ų13786.3 Ų86.389%0.8944%0.442SS*.THydrogen-bonded Turntrans-48-39.5173.6-30.236.4000114G252P250-G252 PolarHBondContact O-N 3.06Å
251N81Confident88.1Confident144 Ų14481.2 Ų81.277%0.7743%0.428SS*.THydrogen-bonded Turntrans-71.124.2176.8-47.268.3000114.9T249 V253T249-N251 PolarHBondContact O-N 3.46Å; T249-N251 VanDerWaalsContact O-N 3.08Å; N251-V253 PolarHBondContact O-N 3.16Å
252G83.3Confident88.8Confident45 Ų4582 Ų8246%0.46443%0.428SS..SBendtrans65.55.1178.200000116.6T249 P250 R254 S267T249-G252 PolarHBondContact O-N 2.82Å; P250-G252 PolarHBondContact O-N 3.06Å; G252-R254 PolarHBondContact O-N 3.06Å; G252-S267 PolarHBondContact O-OG 3.07Å
253V88.1Confident89.1Confident28 Ų2879 Ų7917%0.1741%0.412CS..  trans-81.6118.4178.7-1750000110.3T249 N251 K255 R264T249-V253 PolarHBondContact N-O 2.9Å; T249-V253 WeakPolarHBondContact OG1-CB 3.46Å; T249-V253 PolarHBondContact OG1-N 3.45Å; T249-V253 PolarHBondContact OG1-O 2.9Å; N251-V253 PolarHBondContact O-N 3.16Å; V253-K255 HydrophobicContact CG1-CG 4.49Å; V253-R264 HydrophobicContact CG1-CG 4.46Å
254R93.3Very high89.2Confident17 Ų1776.8 Ų76.86%0.06440%0.4CS..EExtended strand (participates in β ladder)trans-83.9128.8173.3-67.1173.169.4-126.8-3.6109.6K248 G252 L265 C266 R268 E269 C271K248-R254 HydrophobicContact CG-CG 3.96Å; G252-R254 PolarHBondContact O-N 3.06Å; R254-L265 HydrophobicContact CB-CB 3.98Å; R254-L265 PolarHBondContact O-N 3.28Å; R254-C266 PolarHBondContact NH1-O 2.97Å; R254-R268 PolarHBondContact NH1-O 2.87Å; R254-R268 VanDerWaalsContact NH1-O 3.07Å; R254-E269 IonicContact NE-OE2 2.57Å; R254-C271 VanDerWaalsContact CZ-O 3.31Å; R254-C271 PolarHBondContact NH1-O 2.62Å; R254-C271 PolarHBondContact NH2-O 3.37Å
255K93.5Very high89.6Confident76 Ų7675.8 Ų75.833%0.3339%0.388SS..EExtended strand (participates in β ladder)trans-121.5149.8175.3-63.2-178.2179.9178.80110.7V246 V247 T249 V253 W262 R263V246-K255 CarbonylContact C-O 3.59Å; V246-K255 VanDerWaalsContact CA-O 3.24Å; V246-K255 WeakPolarHBondContact CA-O 3.23Å; V247-K255 PolarHBondContact N-O 2.92Å; V247-K255 PolarHBondContact O-N 2.96Å; T249-K255 HydrophobicContact CG2-CD 4.47Å; V253-K255 HydrophobicContact CG1-CG 4.49Å; K255-W262 HydrophobicContact CB-CE3 3.72Å; K255-W262 HydrophobicContact CB-CZ3 4.23Å; K255-W262 HydrophobicContact CD-CB 4.39Å; K255-W262 HydrophobicContact CD-CE3 4.43Å; K255-R263 CarbonylContact C-O 3.59Å; K255-R263 WeakPolarHBondContact CA-O 3.48Å; K255-R263 WeakPolarHBondContact CB-O 3.36Å
256K94.1Very high89.7Confident74 Ų7473.1 Ų73.132%0.32237%0.374SS..EExtended strand (participates in β ladder)trans-122.3134.7171.2176.6161.8175.71320111.5G244 D245 V246 R263 L265G244-K256 WeakPolarHBondContact O-CE 3.41Å; G244-K256 PolarHBondContact O-NZ 2.93Å; D245-K256 CarbonylContact O-C 3.4Å; D245-K256 VanDerWaalsContact O-CA 3.25Å; D245-K256 WeakPolarHBondContact O-CA 3.47Å; V246-K256 HydrophobicContact CG2-CB 4.14Å; V246-K256 HydrophobicContact CG2-CD 4.15Å; V246-K256 HydrophobicContact CG2-CG 4.19Å; K256-R263 PolarHBondContact N-O 3.17Å; K256-R263 PolarHBondContact O-N 3.48Å; K256-L265 HydrophobicContact CB-CD1 4.01Å; K256-L265 HydrophobicContact CB-CD2 3.92Å; K256-L265 HydrophobicContact CB-CG 3.84Å
257F93.3Very high89.6Confident42 Ų4271.7 Ų71.718%0.18437%0.366CS..EExtended strand (participates in β ladder)trans-84129.4173.5-167.1-119.9000111.5F241 G244 D245 G259 W262F241-F257 HydrophobicContact CB-CB 4.33Å; F241-F257 HydrophobicContact CB-CD1 3.88Å; F241-F257 HydrophobicContact CB-CE1 4.4Å; F241-F257 HydrophobicContact CB-CG 4.15Å; F241-F257 WeakPolarHBondContact O-CD1 3.18Å; F241-F257 WeakPolarHBondContact O-CE1 3.29Å; G244-F257 PolarHBondContact N-O 3.33Å; D245-F257 PolarHBondContact O-N 3.05Å; F257-G259 VanDerWaalsContact CE1-CA 3.43Å; F257-W262 HydrophobicContact CB-CD2 4.36Å; F257-W262 HydrophobicContact CB-CE3 3.98Å; F257-W262 HydrophobicContact CB-CH2 4.11Å; F257-W262 HydrophobicContact CB-CZ2 4.45Å; F257-W262 HydrophobicContact CB-CZ3 3.86Å; F257-W262 HydrophobicContact CD2-CD2 4.04Å; F257-W262 HydrophobicContact CD2-CG 4.27Å; F257-W262 HydrophobicContact CD2-CZ2 4.46Å
258N85.4Confident89.5Confident53 Ų5376.6 Ų76.628%0.28338%0.379SS..  trans-100.815-178.6-168.781.3000113K260 Q261 R263N258-K260 PolarHBondContact O-N 3.27Å; N258-Q261 PolarHBondContact N-O 3Å; N258-R263 PolarHBondContact ND2-NH2 2.84Å; N258-R263 PolarHBondContact OD1-NH1 3.41Å; N258-R263 PolarHBondContact OD1-NH2 2.84Å
259G86Confident89.3Confident40 Ų4075.4 Ų75.441%0.41238%0.376SS..SBendtrans71.215.5-174.400000114.2F257F257-G259 VanDerWaalsContact CE1-CA 3.43Å
260K86.7Confident89.4Confident163 Ų16375.7 Ų75.771%0.70939%0.385SS*.SBendtrans-154.9-38.4176.4-74.5-158.9174.2-163.60112.5N258N258-K260 PolarHBondContact O-N 3.27Å
261Q89Confident89.7Confident111 Ų11169.8 Ų69.852%0.51935%0.347SS..SBendtrans-152.9161-177.661177.9-108.300110.9N258N258-Q261 PolarHBondContact N-O 3Å
262W91Very high90.1Very high96 Ų9668 Ų6836%0.36434%0.342SS..EExtended strand (participates in β ladder)trans-84.2126.1171.6-70.2100.6000111.4F241 V247 K255 F257F241-W262 HydrophobicContact CB-CH2 4.45Å; F241-W262 HydrophobicContact CB-CZ2 4.39Å; F241-W262 AromaticContact CD1-CH2 3.78Å; F241-W262 HydrophobicContact CD1-CH2 3.78Å; F241-W262 HydrophobicContact CD1-CZ2 4.1Å; F241-W262 HydrophobicContact CD2-CH2 4.24Å; F241-W262 AromaticContact CD2-CZ2 3.7Å; F241-W262 HydrophobicContact CD2-CZ2 3.7Å; F241-W262 HydrophobicContact CE1-CH2 4.03Å; F241-W262 HydrophobicContact CE1-CZ2 4.31Å; F241-W262 HydrophobicContact CE2-CH2 4.46Å; F241-W262 AromaticContact CE2-CZ2 3.93Å; F241-W262 HydrophobicContact CE2-CZ2 3.93Å; F241-W262 AromaticContact CG-CH2 3.89Å; F241-W262 HydrophobicContact CG-CH2 3.89Å; F241-W262 AromaticContact CG-CZ2 3.79Å; F241-W262 HydrophobicContact CG-CZ2 3.79Å; F241-W262 HydrophobicContact CZ-CH2 4.36Å; F241-W262 HydrophobicContact CZ-CZ2 4.23Å; V247-W262 HydrophobicContact CB-CH2 4.22Å; V247-W262 HydrophobicContact CB-CZ3 4.15Å; V247-W262 HydrophobicContact CG2-CH2 3.63Å; V247-W262 HydrophobicContact CG2-CZ3 3.95Å; K255-W262 HydrophobicContact CB-CE3 3.72Å; K255-W262 HydrophobicContact CB-CZ3 4.23Å; K255-W262 HydrophobicContact CD-CB 4.39Å; K255-W262 HydrophobicContact CD-CE3 4.43Å; F257-W262 HydrophobicContact CB-CD2 4.36Å; F257-W262 HydrophobicContact CB-CE3 3.98Å; F257-W262 HydrophobicContact CB-CH2 4.11Å; F257-W262 HydrophobicContact CB-CZ2 4.45Å; F257-W262 HydrophobicContact CB-CZ3 3.86Å; F257-W262 HydrophobicContact CD2-CD2 4.04Å; F257-W262 HydrophobicContact CD2-CG 4.27Å; F257-W262 HydrophobicContact CD2-CZ2 4.46Å
263R91.4Very high90.5Very high100 Ų10072.8 Ų72.838%0.37735%0.35SS..EExtended strand (participates in β ladder)trans-100156.4170.3-75.9-144.1-161.196.94.9111.4K255 K256 N258 E274K255-R263 CarbonylContact C-O 3.59Å; K255-R263 WeakPolarHBondContact CA-O 3.48Å; K255-R263 WeakPolarHBondContact CB-O 3.36Å; K256-R263 PolarHBondContact N-O 3.17Å; K256-R263 PolarHBondContact O-N 3.48Å; N258-R263 PolarHBondContact ND2-NH2 2.84Å; N258-R263 PolarHBondContact OD1-NH1 3.41Å; N258-R263 PolarHBondContact OD1-NH2 2.84Å; R263-E274 WeakPolarHBondContact CB-OE1 3.41Å; R263-E274 WeakPolarHBondContact CB-OE2 3.27Å; R263-E274 WeakPolarHBondContact CD-OE2 3.37Å
264R93.1Very high90.7Very high124 Ų12475.1 Ų75.147%0.46836%0.359SS..EExtended strand (participates in β ladder)trans-98.6113.1177.9-72.5-174.769.6165.52.9109.6V253 E274 S275V253-R264 HydrophobicContact CG1-CG 4.46Å; R264-E274 PolarHBondContact N-OE1 3.4Å; R264-E274 CarbonylContact O-C 3.51Å; R264-E274 WeakPolarHBondContact O-CA 3.32Å; R264-E274 VanDerWaalsContact O-CD 3.23Å; R264-E274 VanDerWaalsContact O-OE1 3.12Å; R264-S275 PolarHBondContact O-N 2.89Å
265L94.2Very high90.6Very high5 Ų575.3 Ų75.33%0.02636%0.362CS..BIsolated β-bridgetrans-76.7158.6171.2-63.4-170.3000111.1V246 R254 K256 S267 T272V246-L265 HydrophobicContact CG1-CD1 3.77Å; V246-L265 HydrophobicContact CG2-CD1 3.87Å; R254-L265 HydrophobicContact CB-CB 3.98Å; R254-L265 PolarHBondContact O-N 3.28Å; K256-L265 HydrophobicContact CB-CD1 4.01Å; K256-L265 HydrophobicContact CB-CD2 3.92Å; K256-L265 HydrophobicContact CB-CG 3.84Å; L265-S267 PolarHBondContact O-N 3.28Å; L265-T272 WeakPolarHBondContact CD2-O 3.24Å
266C95.2Very high90.3Very high0 Ų077.3 Ų77.30%037%0.373CS..  trans-56127.9167.8173.90000111.8R254 R268 C271 K273 G279 C281 H284R254-C266 PolarHBondContact NH1-O 2.97Å; C266-R268 VanDerWaalsContact C-N 3.3Å; C266-R268 PolarHBondContact O-N 2.82Å; C266-C271 HydrophobicContact CB-CB 3.84Å; C266-C271 VanDerWaalsContact CB-SG 3.54Å; C266-K273 WeakPolarHBondContact CB-O 3.48Å; C266-K273 PolarHBondContact N-O 3.44Å; C266-G279 CarbonylContact C-O 3.58Å; C266-G279 VanDerWaalsContact CA-O 3.3Å; C266-G279 WeakPolarHBondContact CA-O 3.41Å; C266-C281 HydrophobicContact CB-CB 3.95Å; C266-H284 PolarHBondContact SG-ND1 3.07Å
267S90.2Very high89.8Confident37 Ų3783.1 Ų83.126%0.25939%0.393SS..SBendtrans-66-23.6-179.8-76.30000114.3G252 L265 E269 G279G252-S267 PolarHBondContact O-OG 3.07Å; L265-S267 PolarHBondContact O-N 3.28Å; S267-E269 PolarHBondContact O-N 3.22Å; S267-E269 VanDerWaalsContact O-N 3.17Å; S267-G279 PolarHBondContact N-O 3.08Å
268R88.8Confident89.3Confident158 Ų15890.3 Ų90.360%0.59642%0.419SS*.SBendtrans-57.7121.8169.8-173.169.8176.4-1650.6109.6R254 C266 C271 F280R254-R268 PolarHBondContact NH1-O 2.87Å; R254-R268 VanDerWaalsContact NH1-O 3.07Å; C266-R268 VanDerWaalsContact C-N 3.3Å; C266-R268 PolarHBondContact O-N 2.82Å; R268-C271 WeakPolarHBondContact O-CB 3.29Å; R268-C271 PolarHBondContact O-N 3.11Å; R268-F280 HydrophobicContact CB-CD1 4.28Å; R268-F280 HydrophobicContact CB-CE1 4.12Å
269E87.1Confident89.5Confident98 Ų9888.2 Ų88.246%0.45841%0.41SS..THydrogen-bonded Turntrans-55150.6-178.3-72.4-60144.900112.9K248 R254 S267 C271K248-E269 WeakPolarHBondContact CE-OE1 3.45Å; K248-E269 IonicContact NZ-OE1 3.71Å; K248-E269 PolarHBondContact NZ-OE1 2.88Å; K248-E269 IonicContact NZ-OE2 2.7Å; K248-E269 PolarHBondContact NZ-OE2 3.24Å; R254-E269 IonicContact NE-OE2 2.57Å; S267-E269 PolarHBondContact O-N 3.22Å; S267-E269 VanDerWaalsContact O-N 3.17Å; E269-C271 PolarHBondContact O-N 2.91Å
270G86.8Confident89.8Confident41 Ų4188.5 Ų88.542%0.42340%0.4SS..THydrogen-bonded Turntrans72.9-23-174.300000115.2
271C91.8Very high90.1Very high14 Ų1481 Ų8110%0.09537%0.368CS..  trans-67.5137.2179-167.80000111.9R254 C266 R268 E269R254-C271 VanDerWaalsContact CZ-O 3.31Å; R254-C271 PolarHBondContact NH1-O 2.62Å; R254-C271 PolarHBondContact NH2-O 3.37Å; C266-C271 HydrophobicContact CB-CB 3.84Å; C266-C271 VanDerWaalsContact CB-SG 3.54Å; R268-C271 WeakPolarHBondContact O-CB 3.29Å; R268-C271 PolarHBondContact O-N 3.11Å; E269-C271 PolarHBondContact O-N 2.91Å
272T90.4Very high90.2Very high107 Ų10779.2 Ų79.266%0.65637%0.367SS*.  trans-116.66.7176.953.90000113.4L265L265-T272 WeakPolarHBondContact CD2-O 3.24Å
273K91.7Very high90.2Very high145 Ų14583.7 Ų83.763%0.6338%0.384SS*.SBendtrans-82.3152175.4-58.3-67.8-174.2174.80111.1C266 C281C266-K273 WeakPolarHBondContact CB-O 3.48Å; C266-K273 PolarHBondContact N-O 3.44Å; K273-C281 HydrophobicContact CB-CB 3.66Å
274E90.9Very high90.3Very high77 Ų7780.9 Ų80.936%0.3638%0.375SS..BIsolated β-bridgetrans-60146.7174.5-158.767.8-158.500111.8R263 R264 C281R263-E274 WeakPolarHBondContact CB-OE1 3.41Å; R263-E274 WeakPolarHBondContact CB-OE2 3.27Å; R263-E274 WeakPolarHBondContact CD-OE2 3.37Å; R264-E274 PolarHBondContact N-OE1 3.4Å; R264-E274 CarbonylContact O-C 3.51Å; R264-E274 WeakPolarHBondContact O-CA 3.32Å; R264-E274 VanDerWaalsContact O-CD 3.23Å; R264-E274 VanDerWaalsContact O-OE1 3.12Å; E274-C281 VanDerWaalsContact O-CA 3.24Å; E274-C281 WeakPolarHBondContact O-CA 3.22Å; E274-C281 WeakPolarHBondContact O-CB 3.44Å
275S92.2Very high90Very high20 Ų2077.3 Ų77.314%0.1437%0.365CS..  trans-80.9111.3170.9152.70000110.6R264 G279 F280R264-S275 PolarHBondContact O-N 2.89Å; S275-G279 VanDerWaalsContact OG-CA 3.23Å; S275-G279 WeakPolarHBondContact OG-CA 3.24Å; S275-F280 CarbonylContact C-O 3.55Å; S275-F280 WeakPolarHBondContact CA-O 3.32Å
276Q86.6Confident89.7Confident119 Ų11980.8 Ų80.856%0.55639%0.39SS*.  trans-71.3-55.4170.9-83.5103.8-26.900112.6F280 C281Q276-F280 PolarHBondContact N-O 3.37Å; Q276-C281 VanDerWaalsContact OE1-CA 3.25Å
277R84.7Confident89.2Confident195 Ų19585.8 Ų85.874%0.73642%0.415SS*.BIsolated β-bridgetrans-148155.3-176.7-63.7-171.2-178.6-147.21.9110.6G279 F280 L285R277-G279 PolarHBondContact O-N 3.44Å; R277-F280 PolarHBondContact N-O 3.31Å; R277-F280 PolarHBondContact O-N 3.09Å; R277-L285 HydrophobicContact CB-CD2 3.96Å
278R82.6Confident88.9Confident194 Ų19487.6 Ų87.673%0.73242%0.418SS*.THydrogen-bonded Turntrans50.722.1-179.2-66.1-177.4172174.3-5115.1F280 L285 M292R278-F280 VanDerWaalsContact O-CD2 3.28Å; R278-F280 WeakPolarHBondContact O-CD2 3.25Å; R278-L285 HydrophobicContact CB-CD1 4.31Å; R278-M292 PolarHBondContact NH1-SD 3.3Å
279G89.1Confident88.5Confident9 Ų981.4 Ų81.49%0.09340%0.403CS..THydrogen-bonded Turntrans84.14.1-17700000115.3C266 S267 S275 R277C266-G279 CarbonylContact C-O 3.58Å; C266-G279 VanDerWaalsContact CA-O 3.3Å; C266-G279 WeakPolarHBondContact CA-O 3.41Å; S267-G279 PolarHBondContact N-O 3.08Å; S275-G279 VanDerWaalsContact OG-CA 3.23Å; S275-G279 WeakPolarHBondContact OG-CA 3.24Å; R277-G279 PolarHBondContact O-N 3.44Å
280F91.4Very high88.1Confident46 Ų4683.6 Ų83.620%0.20241%0.411CS..BIsolated β-bridgetrans-117.7148.5-176.8-64.6-82.2000112.8R268 S275 Q276 R277 R278 H284 L285 K288R268-F280 HydrophobicContact CB-CD1 4.28Å; R268-F280 HydrophobicContact CB-CE1 4.12Å; S275-F280 CarbonylContact C-O 3.55Å; S275-F280 WeakPolarHBondContact CA-O 3.32Å; Q276-F280 PolarHBondContact N-O 3.37Å; R277-F280 PolarHBondContact N-O 3.31Å; R277-F280 PolarHBondContact O-N 3.09Å; R278-F280 VanDerWaalsContact O-CD2 3.28Å; R278-F280 WeakPolarHBondContact O-CD2 3.25Å; F280-H284 HydrophobicContact CB-CB 4.2Å; F280-H284 HydrophobicContact CD1-CB 3.85Å; F280-H284 HydrophobicContact CG-CB 4.42Å; F280-L285 HydrophobicContact CB-CB 4.02Å; F280-L285 HydrophobicContact CB-CD1 4.44Å; F280-K288 HydrophobicContact CE2-CG 4.48Å
281C94.5Very high87.5Confident5 Ų585.9 Ų85.93%0.03441%0.411CS..  trans-75.5158.2167.366.30000110.6C266 K273 E274 Q276 R283 H284 L285C266-C281 HydrophobicContact CB-CB 3.95Å; K273-C281 HydrophobicContact CB-CB 3.66Å; E274-C281 VanDerWaalsContact O-CA 3.24Å; E274-C281 WeakPolarHBondContact O-CA 3.22Å; E274-C281 WeakPolarHBondContact O-CB 3.44Å; Q276-C281 VanDerWaalsContact OE1-CA 3.25Å; C281-R283 VanDerWaalsContact C-N 3.34Å; C281-R283 PolarHBondContact O-N 3.04Å; C281-R283 VanDerWaalsContact O-N 3.09Å; C281-H284 CarbonylContact O-C 3.54Å; C281-H284 PolarHBondContact O-N 3.19Å; C281-H284 PolarHBondContact SG-ND1 3.15Å; C281-L285 WeakPolarHBondContact O-CB 3.44Å; C281-L285 PolarHBondContact O-N 3.29Å
282S90.3Very high86.6Confident73 Ų7389.6 Ų89.651%0.5143%0.428SS..Hα-helixtrans-43-49.5-175.753.10000114.9L285 S286S282-L285 PolarHBondContact O-N 3.09Å; S282-S286 WeakPolarHBondContact O-CB 3.16Å; S282-S286 PolarHBondContact O-N 3.07Å
283R91.9Very high85.9Confident190 Ų19093 Ų9372%0.71743%0.429SS*.Hα-helixtrans-56.9-53.9176.5-176.2172.7176.9131.1-1.5112.4C281 S286 M287C281-R283 VanDerWaalsContact C-N 3.34Å; C281-R283 PolarHBondContact O-N 3.04Å; C281-R283 VanDerWaalsContact O-N 3.09Å; R283-S286 PolarHBondContact O-N 3.46Å; R283-M287 HydrophobicContact CG-SD 4.16Å; R283-M287 VanDerWaalsContact O-CG 3.31Å; R283-M287 WeakPolarHBondContact O-CG 3.2Å; R283-M287 PolarHBondContact O-N 3.22Å
284H92.9Very high85.1Confident41 Ų4191 Ų9119%0.1943%0.429CS..Hα-helixtrans-72.7-25.9179.7-63.3125.7000113.5C266 F280 C281 K288C266-H284 PolarHBondContact SG-ND1 3.07Å; F280-H284 HydrophobicContact CB-CB 4.2Å; F280-H284 HydrophobicContact CD1-CB 3.85Å; F280-H284 HydrophobicContact CG-CB 4.42Å; C281-H284 CarbonylContact O-C 3.54Å; C281-H284 PolarHBondContact O-N 3.19Å; C281-H284 PolarHBondContact SG-ND1 3.15Å; H284-K288 WeakPolarHBondContact O-CB 3.27Å; H284-K288 PolarHBondContact O-N 2.92Å
285L87.7Confident84.4Confident50 Ų5093.3 Ų93.326%0.26244%0.441SS..Hα-helixtrans-70.1-37.9172.5-174.464.4000111R277 R278 F280 C281 S282 G289R277-L285 HydrophobicContact CB-CD2 3.96Å; R278-L285 HydrophobicContact CB-CD1 4.31Å; F280-L285 HydrophobicContact CB-CB 4.02Å; F280-L285 HydrophobicContact CB-CD1 4.44Å; C281-L285 WeakPolarHBondContact O-CB 3.44Å; C281-L285 PolarHBondContact O-N 3.29Å; S282-L285 PolarHBondContact O-N 3.09Å; L285-G289 PolarHBondContact O-N 3.45Å
286S87.9Confident83.7Confident78 Ų7894.2 Ų94.255%0.54545%0.454SS..Hα-helixtrans-66.3-45.6171-173.20000111.6S282 R283 G289 K290S282-S286 WeakPolarHBondContact O-CB 3.16Å; S282-S286 PolarHBondContact O-N 3.07Å; R283-S286 PolarHBondContact O-N 3.46Å; S286-G289 CarbonylContact O-C 3.52Å; S286-G289 PolarHBondContact O-N 2.98Å; S286-G289 VanDerWaalsContact O-N 3.16Å; S286-K290 PolarHBondContact O-N 3.26Å
287M84.4Confident83.2Confident105 Ų10596.8 Ų96.852%0.51746%0.459SS..Hα-helixtrans-60.9-49.7176-67.5171.67600111.2R283 G289 K290 E291R283-M287 HydrophobicContact CG-SD 4.16Å; R283-M287 VanDerWaalsContact O-CG 3.31Å; R283-M287 WeakPolarHBondContact O-CG 3.2Å; R283-M287 PolarHBondContact O-N 3.22Å; M287-G289 PolarHBondContact O-N 3.5Å; M287-K290 PolarHBondContact O-N 3.31Å; M287-K290 VanDerWaalsContact O-N 3.08Å; M287-E291 PolarHBondContact O-N 3.01Å
288K83.4Confident82.8Confident75 Ų7590 Ų9033%0.32645%0.445SS..Hα-helixtrans-65.6-22.6175.6-165.656.6164.8-176.90112.6F280 H284 E291 M292F280-K288 HydrophobicContact CE2-CG 4.48Å; H284-K288 WeakPolarHBondContact O-CB 3.27Å; H284-K288 PolarHBondContact O-N 2.92Å; K288-E291 HydrophobicContact CD-CB 4.29Å; K288-E291 WeakPolarHBondContact CD-OE2 3.32Å; K288-E291 IonicContact NZ-OE1 3.08Å; K288-E291 PolarHBondContact NZ-OE1 3.44Å; K288-E291 IonicContact NZ-OE2 3.91Å; K288-E291 PolarHBondContact NZ-OE2 3.14Å; K288-M292 WeakPolarHBondContact O-CB 3.22Å; K288-M292 PolarHBondContact O-N 2.96Å
289G81.3Confident82.7Confident28 Ų2883.5 Ų83.529%0.28943%0.433SS..Hα-helixtrans-82.6-18.3172.600000114.9L285 S286 M287 R293L285-G289 PolarHBondContact O-N 3.45Å; S286-G289 CarbonylContact O-C 3.52Å; S286-G289 PolarHBondContact O-N 2.98Å; S286-G289 VanDerWaalsContact O-N 3.16Å; M287-G289 PolarHBondContact O-N 3.5Å; G289-R293 PolarHBondContact O-NE 2.91Å
290K77.5Confident82.2Confident144 Ų14485.4 Ų85.463%0.62645%0.447SS*.Hα-helixtrans-77.5-51.7160.6-73.3-165.6173.7-166.40109.4S286 M287 M292 R293 V294S286-K290 PolarHBondContact O-N 3.26Å; M287-K290 PolarHBondContact O-N 3.31Å; M287-K290 VanDerWaalsContact O-N 3.08Å; K290-M292 VanDerWaalsContact C-N 3.32Å; K290-M292 PolarHBondContact O-N 3.17Å; K290-R293 WeakPolarHBondContact O-CA 3.38Å; K290-R293 WeakPolarHBondContact O-CB 2.76Å; K290-R293 PolarHBondContact O-N 2.95Å; K290-V294 PolarHBondContact O-N 3.08Å
291E75.5Confident81.5Confident88 Ų8886.1 Ų86.141%0.41146%0.455SS..Hα-helixtrans-54.3-44.3178.7-160.4-155.5128.500112.6M287 K288 R293 V294 M295M287-E291 PolarHBondContact O-N 3.01Å; K288-E291 HydrophobicContact CD-CB 4.29Å; K288-E291 WeakPolarHBondContact CD-OE2 3.32Å; K288-E291 IonicContact NZ-OE1 3.08Å; K288-E291 PolarHBondContact NZ-OE1 3.44Å; K288-E291 IonicContact NZ-OE2 3.91Å; K288-E291 PolarHBondContact NZ-OE2 3.14Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 2.8Å; E291-V294 PolarHBondContact O-N 3.19Å; E291-M295 WeakPolarHBondContact O-CB 3.43Å; E291-M295 PolarHBondContact O-N 2.8Å
292M71.4Confident80.5Confident93 Ų9388.4 Ų88.446%0.45848%0.475SS..Hα-helixtrans-69.9-23177-177.7173.9-72.700113.7R278 K288 K290 G296R278-M292 PolarHBondContact NH1-SD 3.3Å; K288-M292 WeakPolarHBondContact O-CB 3.22Å; K288-M292 PolarHBondContact O-N 2.96Å; K290-M292 VanDerWaalsContact C-N 3.32Å; K290-M292 PolarHBondContact O-N 3.17Å; M292-G296 PolarHBondContact O-N 3Å
293R77.2Confident79.8Confident178 Ų17887.8 Ų87.867%0.67247%0.474SS*.Hα-helixtrans-79.7-39.2170.8-82.4-172.3-71.1165.3-3.9111.7G289 K290 E291 G296 Y297G289-R293 PolarHBondContact O-NE 2.91Å; K290-R293 WeakPolarHBondContact O-CA 3.38Å; K290-R293 WeakPolarHBondContact O-CB 2.76Å; K290-R293 PolarHBondContact O-N 2.95Å; E291-R293 VanDerWaalsContact C-N 3.31Å; E291-R293 PolarHBondContact O-N 2.8Å; R293-G296 PolarHBondContact O-N 3.11Å; R293-Y297 WeakPolarHBondContact O-CB 3.41Å; R293-Y297 PolarHBondContact O-N 2.67Å
294V74.8Confident78.4Confident104 Ų10484.1 Ų84.163%0.6347%0.468SS*.Hα-helixtrans-62.2-47.8172.2176.90000110.3K290 E291 G296 Y297 A298K290-V294 PolarHBondContact O-N 3.08Å; E291-V294 PolarHBondContact O-N 3.19Å; V294-G296 VanDerWaalsContact C-N 3.34Å; V294-G296 PolarHBondContact O-N 3.01Å; V294-Y297 PolarHBondContact O-N 3.37Å; V294-A298 WeakPolarHBondContact O-CB 3.39Å; V294-A298 PolarHBondContact O-N 3.46Å
295M74.4Confident77Confident125 Ų12585.7 Ų85.762%0.61648%0.484SS*.Hα-helixtrans-64.4-36.7175.6-165.868.772.800112.3E291 A299E291-M295 WeakPolarHBondContact O-CB 3.43Å; E291-M295 PolarHBondContact O-N 2.8Å; M295-A299 WeakPolarHBondContact O-CB 3.32Å; M295-A299 PolarHBondContact O-N 3.28Å
296G79.1Confident75.6Confident39 Ų3987.3 Ų87.340%0.40250%0.499SS..Hα-helixtrans-67.9-37.6174.900000113.1M292 R293 V294 A300M292-G296 PolarHBondContact O-N 3Å; R293-G296 PolarHBondContact O-N 3.11Å; V294-G296 VanDerWaalsContact C-N 3.34Å; V294-G296 PolarHBondContact O-N 3.01Å; G296-A300 WeakPolarHBondContact O-CB 3.41Å; G296-A300 PolarHBondContact O-N 3.06Å
297Y75.5Confident74Confident172 Ų17287.6 Ų87.668%0.67550%0.502SS*.Hα-helixtrans-69.1-46.6173.9-169.8-94.5000111R293 V294 A299 A300 V301R293-Y297 WeakPolarHBondContact O-CB 3.41Å; R293-Y297 PolarHBondContact O-N 2.67Å; V294-Y297 PolarHBondContact O-N 3.37Å; Y297-A299 VanDerWaalsContact C-N 3.31Å; Y297-A299 PolarHBondContact O-N 3.45Å; Y297-A300 PolarHBondContact O-N 2.88Å; Y297-A300 VanDerWaalsContact O-N 3.12Å; Y297-V301 HydrophobicContact CD1-CG2 3.96Å; Y297-V301 HydrophobicContact CE1-CG2 3.68Å; Y297-V301 WeakPolarHBondContact O-CG2 3.2Å; Y297-V301 PolarHBondContact O-N 3.27Å
298A77Confident72.1Confident52 Ų5290.5 Ų90.543%0.4351%0.514SS..Hα-helixtrans-60-39.3174.600000112.3V294 A302V294-A298 WeakPolarHBondContact O-CB 3.39Å; V294-A298 PolarHBondContact O-N 3.46Å; A298-A302 WeakPolarHBondContact O-CB 3.42Å; A298-A302 PolarHBondContact O-N 3.13Å
299A79.6Confident69.8Low58 Ų5890.7 Ų90.748%0.47952%0.524SS..Hα-helixtrans-70.1-33.2174.200000113M295 Y297 A303M295-A299 WeakPolarHBondContact O-CB 3.32Å; M295-A299 PolarHBondContact O-N 3.28Å; Y297-A299 VanDerWaalsContact C-N 3.31Å; Y297-A299 PolarHBondContact O-N 3.45Å; A299-A303 VanDerWaalsContact O-CB 3.25Å; A299-A303 WeakPolarHBondContact O-CB 3.5Å; A299-A303 PolarHBondContact O-N 2.89Å
300A77.8Confident67.7Low49 Ų4997.6 Ų97.641%0.40555%0.547SS..Hα-helixtrans-69.9-45.4173.700000111.6G296 Y297 A303 L304G296-A300 WeakPolarHBondContact O-CB 3.41Å; G296-A300 PolarHBondContact O-N 3.06Å; Y297-A300 PolarHBondContact O-N 2.88Å; Y297-A300 VanDerWaalsContact O-N 3.12Å; A300-A303 PolarHBondContact O-N 3.36Å; A300-L304 VanDerWaalsContact O-CG 3.29Å; A300-L304 WeakPolarHBondContact O-CG 3.41Å; A300-L304 PolarHBondContact O-N 2.93Å
301V76.7Confident65.7Low61 Ų61101.3 Ų101.337%0.3756%0.558SS.*Hα-helixtrans-60.5-47.3173172.50000110.4Y297 A303 L304 S305Y297-V301 HydrophobicContact CD1-CG2 3.96Å; Y297-V301 HydrophobicContact CE1-CG2 3.68Å; Y297-V301 WeakPolarHBondContact O-CG2 3.2Å; Y297-V301 PolarHBondContact O-N 3.27Å; V301-A303 VanDerWaalsContact C-N 3.29Å; V301-A303 PolarHBondContact O-N 3.28Å; V301-L304 PolarHBondContact O-N 3.01Å; V301-L304 VanDerWaalsContact O-N 3.16Å; V301-S305 PolarHBondContact O-N 3.45Å; V301-S305 PolarHBondContact O-OG 3.42Å
302A75.1Confident63.6Low53 Ų53103.2 Ų103.244%0.43858%0.581SS.*Hα-helixtrans-61.8-35.417600000112.7A298 S306A298-A302 WeakPolarHBondContact O-CB 3.42Å; A298-A302 PolarHBondContact O-N 3.13Å; A302-S306 WeakPolarHBondContact O-CB 3.36Å; A302-S306 PolarHBondContact O-N 2.82Å; A302-S306 PolarHBondContact O-OG 3.39Å
303A74.8Confident61.9Low61 Ų61105.2 Ų105.250%0.50460%0.599SS.*Hα-helixtrans-69.5-38.1174.300000112.5A299 A300 V301 S306 S307A299-A303 VanDerWaalsContact O-CB 3.25Å; A299-A303 WeakPolarHBondContact O-CB 3.5Å; A299-A303 PolarHBondContact O-N 2.89Å; A300-A303 PolarHBondContact O-N 3.36Å; V301-A303 VanDerWaalsContact C-N 3.29Å; V301-A303 PolarHBondContact O-N 3.28Å; A303-S306 PolarHBondContact O-N 2.99Å; A303-S307 PolarHBondContact O-N 3.44Å; A303-S307 VanDerWaalsContact O-N 3.11Å
304L63.5Low59.8Low113 Ų113102.3 Ų102.359%0.59261%0.605SS**Hα-helixtrans-64.9-52.4174.2-71164000110.7A300 V301 S306 S307A300-L304 VanDerWaalsContact O-CG 3.29Å; A300-L304 WeakPolarHBondContact O-CG 3.41Å; A300-L304 PolarHBondContact O-N 2.93Å; V301-L304 PolarHBondContact O-N 3.01Å; V301-L304 VanDerWaalsContact O-N 3.16Å; L304-S306 PolarHBondContact O-N 3.23Å; L304-S307 WeakPolarHBondContact O-CA 3.22Å; L304-S307 WeakPolarHBondContact O-CB 3.22Å; L304-S307 PolarHBondContact O-N 3.17Å; L304-S307 PolarHBondContact O-OG 2.88Å
305S62.6Low57.8Low74 Ų74100.6 Ų100.652%0.51761%0.609SS.*Hα-helixtrans-65.1-20.3175-55.70000113.8V301V301-S305 PolarHBondContact O-N 3.45Å; V301-S305 PolarHBondContact O-OG 3.42Å
306S58.2Low56Low83 Ų83102.2 Ų102.258%0.5862%0.619SS**Hα-helixtrans-79.9-19.9169.5-61.10000113A302 A303 L304 S309A302-S306 WeakPolarHBondContact O-CB 3.36Å; A302-S306 PolarHBondContact O-N 2.82Å; A302-S306 PolarHBondContact O-OG 3.39Å; A303-S306 PolarHBondContact O-N 2.99Å; L304-S306 PolarHBondContact O-N 3.23Å; S306-S309 PolarHBondContact O-OG 3.4Å
307S53.8Low54Low85 Ų85106 Ų10659%0.59464%0.636SS**Hα-helixtrans-82.4-16.8179.969.10000113.7A303 L304 S309A303-S307 PolarHBondContact O-N 3.44Å; A303-S307 VanDerWaalsContact O-N 3.11Å; L304-S307 WeakPolarHBondContact O-CA 3.22Å; L304-S307 WeakPolarHBondContact O-CB 3.22Å; L304-S307 PolarHBondContact O-N 3.17Å; L304-S307 PolarHBondContact O-OG 2.88Å; S307-S309 PolarHBondContact O-N 3.23Å
308E44Very low52.2Low166 Ų166108.6 Ų108.678%0.77665%0.645SS**  trans-79.354.6172.7-63.2-17913000112
309S36.9Very low50.3Low78 Ų78113.8 Ų113.855%0.54566%0.66SS.*  trans-145.935.3-177.1650000115.9S306 S307S306-S309 PolarHBondContact O-OG 3.4Å; S307-S309 PolarHBondContact O-N 3.23Å
310K36.8Very low48.2Very low174 Ų174118.4 Ų118.476%0.75768%0.677SS**SBendtrans-150.3154.7158-92.4108.3-162.2165.60110.6
311Y34.5Very low46.1Very low222 Ų222119.7 Ų119.787%0.87170%0.695SS**  trans68.253.5179.3-53.2-76.1000116.4
312S31.1Very low44.2Very low127 Ų127122 Ų12289%0.88871%0.714SS**PPolyproline II helixtrans-68.6126.9148.1-61.40000109.2
313T37.4Very low42.4Very low135 Ų135124.8 Ų124.883%0.82872%0.721SS**PPolyproline II helixtrans-66.1148.2-176-56.80000113
314S32.1Very low40.6Very low117 Ų117131.7 Ų131.782%0.81873%0.734SS**PPolyproline II helixtrans-79.2134.3175.853.90000113.5
315G33.3Very low39.5Very low69 Ų69132.5 Ų132.571%0.71174%0.739SS**  trans122.4156.2167.500000113.8
316I36.3Very low38.4Very low158 Ų158138.5 Ų138.581%0.8176%0.756SS**  cis-145.2140.1-5.5-59.5-177000107
317P37Very low37.3Very low119 Ų119137.9 Ų137.977%0.77376%0.763SS**  trans-71.8152.2173.831-35.9000112.5
318R36.7Very low36.1Very low227 Ų227141.5 Ų141.586%0.85778%0.775SS**  trans-121.4151.1166.5-98.8175.660.8161.6-3.3109.7
319E37.4Very low35.4Very low160 Ų160137.5 Ų137.575%0.74877%0.766SS**  trans69.5117.4-174.8-60.1172.5-142.700112.2
320N35.7Very low35.1Very low156 Ų156142.7 Ų142.783%0.83478%0.779SS**  cis-145.3157.66.9-80.4-50000111.9
321G33.3Very low34.7Very low75 Ų75139.9 Ų139.977%0.77378%0.777SS**  trans125.197.8153.800000119.5
322S38Very low34.4Very low111 Ų111134 Ų13478%0.77677%0.767SS**  trans57.1119.3143.9-80.50000124.1
323N37.9Very low34.3Very low111 Ų111135 Ų13559%0.59477%0.769SS**  trans76.8114.9132.7-70.8-43.6000122.8
324R37Very low34Very low206 Ų206131.6 Ų131.678%0.77776%0.761SS**  62.6140.6124.8-57.7172.2-154.5-1572.1118.3
325N39.7Very low33.9Very low130 Ų130133.8 Ų133.870%0.69576%0.762SS**  cis-162.8168.5-2-113-18.3000110.3
326K39Very low33.8Very low200 Ų200137.3 Ų137.387%0.8776%0.764SS**  trans-0.9143.2153.2-49.2172.3-177-179.40118.2
327G34.5Very low33.4Very low70 Ų70135.2 Ų135.272%0.72276%0.763SS**  cis151.2168.50.600000113.1
328N30.4Very low33Very low161 Ų161134.1 Ų134.186%0.86176%0.759SS**  trans56.5103.8162.8-69.120.3000122.3
329S28.9Very low32.7Very low82 Ų82128.6 Ų128.657%0.57375%0.754SS**  81.2151.2111.2-149.70000122.6
330F29.5Very low32.8Very low186 Ų186127.5 Ų127.582%0.81676%0.759SS**  trans69.7147164.6-53-53.9000116.5
331T28.3Very low32.7Very low116 Ų116124.1 Ų124.171%0.71275%0.745SS**  cis-158.1145.4-24.50000112.1
332S28.3Very low32.7Very low97 Ų97123.6 Ų123.668%0.67873%0.73SS**  trans41.5145.7138.1-49.50000125.6
333T30.3Very low32.5Very low149 Ų149121.1 Ų121.191%0.91471%0.708SS**  trans87151.8154.573.70000120.5
334G29.7Very low32.1Very low64 Ų64124 Ų12466%0.6672%0.722SS**  trans97.2112.3-17600000112.5
335L31.2Very low31.9Very low163 Ų163120.4 Ų120.485%0.85372%0.718SS**  62.4124.153.2-56.3177000111.9
336L29.9Very low31.6Very low143 Ų143120.7 Ų120.775%0.74972%0.724SS**  cis-157.8160.56.9-97.4147.6000110.3
337S28.6Very low31.4Very low113 Ų113116.7 Ų116.779%0.7972%0.719SS**  trans63.5151.5158.9-72.70000119.5
338S29.2Very low31.2Very low97 Ų97118.4 Ų118.468%0.67872%0.72SS**  cis-161.8163.3-1349.10000112.5
339S30.4Very low31.2Very low110 Ų110117.4 Ų117.477%0.76971%0.713SS**  trans58.492151.756.80000120.3
340T38.5Very low31.4Very low138 Ų138122.8 Ų122.885%0.84773%0.726SS**  trans-80.6159.8143.155.20000110.6
341P35.2Very low31.8Very low84 Ų84117.3 Ų117.355%0.54572%0.716SS.*  -147.1162.695.137.8-20.8000117.1K1155 S1156P341-K1155 WeakPolarHBondContact CB-O 3.22Å; P341-S1156 CarbonylContact C-O 3.26Å; P341-S1156 WeakPolarHBondContact CB-O 3.26Å
342S32.6Very low32.2Very low65 Ų65118 Ų11846%0.45572%0.722SS.*  trans-24.6-165.1171.6-18.10000121.8K1155 S1156 T1157S342-K1155 WeakPolarHBondContact OG-CA 3.46Å; S342-K1155 PolarHBondContact OG-N 3.43Å; S342-K1155 PolarHBondContact OG-O 2.7Å; S342-S1156 CarbonylContact C-O 3.58Å; S342-S1156 WeakPolarHBondContact CA-O 3.42Å; S342-S1156 WeakPolarHBondContact CB-O 3.34Å; S342-S1156 PolarHBondContact N-O 2.67Å; S342-S1156 CarbonylContact O-C 3.37Å; S342-S1156 PolarHBondContact OG-O 3.08Å; S342-T1157 VanDerWaalsContact C-N 3.25Å; S342-T1157 PolarHBondContact O-N 3.28Å
343L33.2Very low32.5Very low58 Ų58120 Ų12030%0.30472%0.716SS.*  cis-125.6136.420.3-90.6163.3000114.8L345 P1158L343-L345 HydrophobicContact CD1-CD1 4.26Å; L343-L345 HydrophobicContact CD2-CD1 4.16Å; L343-P1158 HydrophobicContact CD1-CB 4.4Å
344L29Very low32.9Very low172 Ų172122 Ų12290%0.90171%0.712SS**  trans-66.6133.7134.151.167.9000112.1
345L34.3Very low33.2Very low130 Ų130125.7 Ų125.768%0.68172%0.716SS**  trans-13786.8172.3-154.480000114.7L343L343-L345 HydrophobicContact CD1-CD1 4.26Å; L343-L345 HydrophobicContact CD2-CD1 4.16Å
346T32.7Very low33.6Very low136 Ų136123.6 Ų123.683%0.83471%0.71SS**  trans-83.5140.6154.751.30000110
347P35Very low34Very low117 Ų117121.5 Ų121.576%0.7671%0.705SS**  -142.5156124.237.3-25.4000114.5
348S29Very low34.2Very low106 Ų106124.5 Ų124.574%0.74170%0.704SS**  trans-94.8162.8161.8-168.10000110.3
349I30.8Very low34.3Very low139 Ų139127 Ų12771%0.71371%0.709SS**  trans56.5108.4168.1-29.3-178.7000117.2
350F33.8Very low34.3Very low195 Ų195125.8 Ų125.886%0.85570%0.701SS**  -176165.8110.3-116.1-89.2000113.3
351A37.3Very low34Very low72 Ų72125.4 Ų125.460%0.59570%0.698SS**  trans-103.3145.9178.400000112
352P37.3Very low34Very low130 Ų130125.5 Ų125.584%0.84470%0.701SS**  trans-92.7142.9-167.934.7-35.8000115
353Y34.3Very low34.1Very low139 Ų139131.6 Ų131.655%0.54572%0.719SS.*  trans-124.5150.6160.545.1-87.9000109.7N1286Y353-N1286 HydrophobicContact CD1-CB 4.17Å; Y353-N1286 HydrophobicContact CE1-CB 3.91Å; Y353-N1286 WeakPolarHBondContact CE1-OD1 3.43Å; Y353-N1286 WeakPolarHBondContact CE2-OD1 3.48Å; Y353-N1286 VanDerWaalsContact CZ-CG 3.42Å; Y353-N1286 VanDerWaalsContact CZ-OD1 3.23Å; Y353-N1286 PolarHBondContact OH-ND2 3.32Å
354K38.4Very low34.1Very low191 Ų191134.2 Ų134.283%0.8374%0.743SS**  trans-123.7155.7170.6-65.3-170.6175.1-170.60106.6
355L37.2Very low34.3Very low141 Ų141130 Ų13074%0.73873%0.732SS**  -166.6134.152.8-75.1159.9000111.7
356T37.8Very low34.2Very low119 Ų119129 Ų12973%0.7374%0.736SS**  50.4160.2129.272.30000122.5
357P39.4Very low34.1Very low100 Ų100128.8 Ų128.865%0.64973%0.728SS**  -139-164-58.541.4-22.4000112.6
358F33.1Very low34.1Very low176 Ų176127.3 Ų127.377%0.77272%0.717SS**  trans115.2119.6157.7-74.9-73.9000119
359L31.1Very low34.5Very low149 Ų149127.3 Ų127.378%0.7871%0.713SS**  trans54.8142137.9-70.9168.7000120.8
360S30.7Very low34.6Very low85 Ų85127.6 Ų127.659%0.59471%0.711SS**  cis-162.7-178-3.8-157.70000111.6
361T32.6Very low34.8Very low129 Ų129126.6 Ų126.679%0.79171%0.712SS**  trans65.4142.1158.846.40000119.1
362S35Very low34.7Very low86 Ų86126.8 Ų126.860%0.60172%0.721SS**  cis-170.7157.6-8.854.10000112.6
363K34.4Very low34.6Very low193 Ų193125.7 Ų125.784%0.83972%0.716SS**  trans69.1150.2168.5-53.9169.5-175.6179.20115.3
364S33.3Very low34.5Very low114 Ų114124 Ų12480%0.79772%0.724SS**  cis-173.9165.4-23-880000107.7
365A32.4Very low34.3Very low82 Ų82120.8 Ų120.868%0.67872%0.721SS**  cis-176.4157-31.900000108.9
366S32.3Very low34.1Very low111 Ų111119.9 Ų119.978%0.77673%0.726SS**  trans69153.7160-61.80000118.3
367I31Very low33.9Very low130 Ų130118.1 Ų118.167%0.66772%0.724SS**  cis-148.7168-5-119.6167.6000112.5Y1228I367-Y1228 WeakPolarHBondContact CD1-OH 3.39Å; I367-Y1228 WeakPolarHBondContact CG1-OH 3.46Å
368T35.1Very low33.7Very low86 Ų86119.6 Ų119.653%0.52873%0.731SS.*  trans-50.5179.8-166.264.90000121Y1228T368-Y1228 WeakPolarHBondContact CB-OH 3.24Å; T368-Y1228 HydrophobicContact CG2-CE2 4.49Å; T368-Y1228 WeakPolarHBondContact CG2-OH 3.39Å; T368-Y1228 PolarHBondContact OG1-OH 3.45Å
369T36.7Very low33.6Very low107 Ų107119.8 Ų119.866%0.65674%0.735SS**  cis-136.8-123.910.4-25.40000114.4
370E33.9Very low33.6Very low144 Ų144116.5 Ų116.567%0.67373%0.729SS**  cis-157.3177.73.1-156.639.886.800114.6
371M37.4Very low33.5Very low174 Ų174119 Ų11986%0.85774%0.74SS**  trans-43.3156173.2-57-160.3-78.900115.2
372G35.4Very low33.5Very low76 Ų76120.5 Ų120.578%0.78474%0.742SS**  cis1541694.500000109.2
373S34.7Very low33.2Very low107 Ų107121.4 Ų121.475%0.74875%0.748SS**  cis-168.3168.5-17.659.20000110.3
374S32.6Very low33Very low103 Ų103117 Ų11772%0.7274%0.741SS**  trans61.3150.516043.10000120.4
375T33.9Very low33Very low125 Ų125117.2 Ų117.277%0.76774%0.738SS**  cis-168.1148.9-15.123.20000110.7
376S33.8Very low33.2Very low121 Ų121119 Ų11985%0.84674%0.741SS**  trans58.7166.9150.1-660000121
377A33.2Very low33.5Very low82 Ų82119.7 Ų119.768%0.67874%0.741SS**  cis-169.7170.9-36.900000110.4
378T34.8Very low33.8Very low131 Ų131118.9 Ų118.980%0.80475%0.747SS**  trans92.4145.5153.2-490000120.7
379Q31.6Very low33.8Very low181 Ų181121.7 Ų121.785%0.84676%0.757SS**  trans-52.6175.5179.9-63.6164.317.400117.8
380A30.1Very low33.8Very low80 Ų80124 Ų12466%0.66177%0.765SS**  cis179.6171.3-28.600000111.4
381V29Very low33.7Very low137 Ų137122 Ų12283%0.8376%0.763SS**  trans76.2154160.3-150.40000118.9
382I33Very low33.5Very low161 Ų161119.6 Ų119.683%0.82676%0.758SS**  trans100.5138.7163.4-53-178.1000117.1
383S28.1Very low33.5Very low105 Ų105122 Ų12273%0.73476%0.758SS**  trans-86.6169.7-171.9-51.40000112.7
384S31.4Very low33.5Very low99 Ų99122.3 Ų122.369%0.69276%0.755SS**  178.216760-64.60000112.8
385T32.6Very low33.5Very low120 Ų120122.9 Ų122.974%0.73676%0.755SS**  trans49.1130.3146.848.90000121.9
386T36.8Very low33.5Very low118 Ų118123.1 Ų123.172%0.72476%0.756SS**  cis77.8135.339.769.20000115.9
387T39.2Very low33.4Very low127 Ų127123.3 Ų123.378%0.77975%0.752SS**  cis-172.6155-217.80000111.9
388S37.4Very low33.3Very low113 Ų113123.6 Ų123.679%0.7975%0.749SS**  trans-150.2135161.243.20000111.9
389L35.3Very low33.2Very low144 Ų144124.7 Ų124.775%0.75475%0.745SS**  cis91146.540.8-69.6167.4000112.5
390L35.6Very low33.2Very low157 Ų157124.3 Ų124.382%0.82274%0.743SS**  cis-132.3-152.23.2-7999.3000111.4
391T32Very low33.1Very low101 Ų101124.6 Ų124.662%0.6274%0.74SS**  -165.8106.3-86-670000113.7
392T32.8Very low33Very low123 Ų123123.9 Ų123.976%0.75574%0.736SS**  trans50.8146.6147.863.80000125.9
393T36.8Very low32.8Very low127 Ų127125.1 Ų125.178%0.77974%0.735SS**  trans-147160.4146.153.20000109.6
394T32.9Very low32.7Very low114 Ų114125.3 Ų125.370%0.69974%0.737SS**  cis91.2131.92.373.40000118.6
395T33Very low33Very low115 Ų115127.6 Ų127.671%0.70674%0.74SS**  cis-171.5178.4-8.716.40000110.6
396T33.4Very low33.1Very low130 Ų130127.2 Ų127.280%0.79874%0.74SS**  trans82.715215981.60000117.8
397V32.4Very low32.6Very low125 Ų125127.7 Ų127.776%0.75874%0.737SS**  cis-163.8156.3-7.8115.60000114.3
398S31.4Very low32.4Very low87 Ų87127.1 Ų127.161%0.60873%0.734SS**  trans68131.1153-83.40000127
399Q33.5Very low31.9Very low155 Ų155126.4 Ų126.472%0.72473%0.729SS**  80.5130.8126.1-72.11719.200123.9
400Q30.5Very low31.6Very low172 Ų172126 Ų12680%0.80473%0.727SS**  trans62.5164.8145.2-67.4171.49.400117.4
401S28.3Very low31.2Very low86 Ų86125.1 Ų125.160%0.60172%0.718SS**  cis-172.5153.7-4059.30000107.1
402V27.1Very low31Very low122 Ų122127.9 Ų127.974%0.73972%0.721SS**  trans58.9158.4171.6-60.30000118.1
403F28.4Very low30.6Very low187 Ų187127.9 Ų127.982%0.8272%0.717SS**  trans60.4118.8-179.1-60.7-79000115.4
404S26.7Very low30.2Very low109 Ų109126.6 Ų126.676%0.76271%0.705SS**  77.9145.761.9-63.80000114.3
405L36.7Very low29.9Very low147 Ų147130.2 Ų130.277%0.7771%0.706SS**  trans-47.8154-175.5-64.1156.5000113.8L407L405-L407 HydrophobicContact CB-CD1 3.83Å; L405-L407 HydrophobicContact CD1-CD1 4.03Å; L405-L407 HydrophobicContact CG-CD1 4.35Å
406P34Very low29.7Very low113 Ų113134.4 Ų134.473%0.73471%0.71SS**  -119.2155.690.840.8-38.2000110.8
407L28.3Very low29.4Very low127 Ų127134.3 Ų134.367%0.66571%0.705SS**  56.1135.554.9-74.869000110L405L405-L407 HydrophobicContact CB-CD1 3.83Å; L405-L407 HydrophobicContact CD1-CD1 4.03Å; L405-L407 HydrophobicContact CG-CD1 4.35Å
408T33.1Very low29.2Very low116 Ų116133.1 Ų133.171%0.71270%0.702SS**  cis-129.6150.729.2420000110.2
409S27.8Very low29Very low98 Ų98133.6 Ų133.669%0.68571%0.705SS**  cis71.8157.542.6-161.30000113.1
410I28.6Very low28.8Very low136 Ų136132.7 Ų132.770%0.69770%0.704SS**  trans74.3128.6174.7-56.9154.6000113.4
411H27.8Very low28.8Very low137 Ų137130.5 Ų130.563%0.63470%0.697SS**  cis-155.1155.5-4.5-132.4-136.3000111.2
412F26.8Very low29.2Very low159 Ų159130.2 Ų130.270%0.69769%0.693SS**  trans39.4130.9133.9-73.1-135.2000119.7
413N26.1Very low29.5Very low123 Ų123127.2 Ų127.266%0.65868%0.681SS**  74.4137.153.4-156.173.1000113.7
414D26.9Very low29.8Very low101 Ų101123.4 Ų123.454%0.5467%0.673SS.*  trans62.8159.3-178.3-58.5-61.9000115.2
415R27.1Very low30.3Very low190 Ų190124.6 Ų124.672%0.71768%0.676SS**  cis-163.9153.5-24.9-110.4177.6-144.7-166.48.7108.5
416Y28Very low30.3Very low202 Ų202121 Ų12179%0.79267%0.673SS**  trans63.4175.1149-81.7-137000115.9
417N27.6Very low30.4Very low128 Ų128119.6 Ų119.668%0.68467%0.672SS**  cis-173.4171.9-42.7-165.5-2.4000105.5
418S28Very low30.9Very low101 Ų101122.2 Ų122.271%0.70668%0.681SS**  trans77.2127.5-177.2-38.60000113
419S27.3Very low31.1Very low96 Ų96122.2 Ų122.267%0.67168%0.68SS**  67.4131.771.4-147.70000110.8
420I29.5Very low31.5Very low136 Ų136123.6 Ų123.670%0.69768%0.684SS**  -142.7152.959.7-73.3145.4000113.5D2D2-I420 WeakPolarHBondContact O-CG2 3.22Å
421I30.1Very low32Very low126 Ų126121.6 Ų121.665%0.64668%0.683SS**  trans-95.3-158.2179.36.8171.4000110.1M1 D2M1-I421 CarbonylContact C-O 3.46Å; M1-I421 VanDerWaalsContact C-O 3.26Å; D2-I421 PolarHBondContact N-O 2.9Å
422P38.3Very low32.5Very low80 Ų80123.1 Ų123.152%0.51969%0.692SS.*  cis-124.2-146-24.822.23.8000110.6M1M1-P422 WeakPolarHBondContact CA-O 3.38Å; M1-P422 WeakPolarHBondContact CB-O 3.44Å; M1-P422 PolarHBondContact N-O 3.17Å; M1-P422 WeakPolarHBondContact O-CD 3.06Å
423A33.2Very low33.2Very low59 Ų59120 Ų12049%0.48869%0.688SS.*  trans68.3143.5145.400000119.1M1M1-A423 HydrophobicContact CB-CB 3.96Å; M1-A423 HydrophobicContact CG-CB 4.39Å; M1-A423 WeakPolarHBondContact CG-O 3.47Å; M1-A423 HydrophobicContact SD-CB 3.95Å
424T33.9Very low33.7Very low108 Ų108121.3 Ų121.366%0.66369%0.693SS**  cis-153.7162-11-4.30000107
425V37.3Very low34.4Very low134 Ų134122.4 Ų122.481%0.81271%0.706SS**  -163.8141.154.7170.20000110
426G35.7Very low34.9Very low70 Ų70118.3 Ų118.372%0.72271%0.706SS**  trans70.7141.5143.100000120.8
427A37.9Very low35.4Very low85 Ų85114.4 Ų114.470%0.70271%0.709SS**  cis-160.8135-5.300000112.5
428Q37.2Very low35.9Very low182 Ų182112.1 Ų112.185%0.8571%0.708SS**  trans58.9150.8149-56.1177.86.200118.5
429V37.4Very low36.3Very low116 Ų116116.8 Ų116.870%0.70372%0.716SS**  cis-145.5147.913.7-136.30000110.7
430T37.4Very low37Very low126 Ų126117.9 Ų117.977%0.77372%0.719SS**  trans36.7141.915148.40000122.4
431S38.1Very low37.6Very low95 Ų95116.7 Ų116.766%0.66472%0.719SS**  cis-175.7122.5-5.948.60000110.4
432M39.4Very low37.9Very low168 Ų168118 Ų11883%0.82873%0.727SS**  88.7160.3104.7-63.3-84.590.500115.1
433P40.5Very low37.7Very low95 Ų95119.7 Ų119.762%0.61773%0.731SS**  -144-161.1-90.132.8-6.5000116.9
434I37.4Very low37.8Very low149 Ų149125 Ų12576%0.76474%0.744SS**  trans115.7118.7148.7-59.9161.7000118.5
435P41.7Very low37.8Very low124 Ų124126.6 Ų126.681%0.80575%0.748SS**  trans-131.7170.9164.941.7-28.3000115.8
436S37.3Very low37.8Very low104 Ų104124.5 Ų124.573%0.72775%0.745SS**  trans-160.1131.8172.2-37.10000108.7
437S38.1Very low37.9Very low120 Ų120126.2 Ų126.284%0.83975%0.746SS**  67141.667.782.10000114.4
438A38.2Very low37.8Very low80 Ų80128.7 Ų128.766%0.66175%0.752SS**  cis-158.6163.911.300000113.9
439F37.3Very low37.7Very low199 Ų199123.2 Ų123.287%0.87374%0.744SS**  37.2148.7129.2-74.1-115000121.9
440T40.3Very low37.5Very low120 Ų120121.4 Ų121.474%0.73673%0.728SS**  cis-165.9175.7-6.2140000110.8
441P43.3Very low37.3Very low110 Ų110119.8 Ų119.871%0.71471%0.713SS**  trans-109-142.8-161.945.1-40.1000116.8
442L35.6Very low36.9Very low153 Ų153119.3 Ų119.380%0.80171%0.71SS**  trans99.5147.5-179.4-54178.1000114.1
443L34.6Very low36.9Very low117 Ų117116 Ų11661%0.61370%0.7SS**  cis-164.9166.2-3.5-119.7169.3000112.3
444F35.3Very low36.4Very low171 Ų171118.4 Ų118.475%0.7571%0.706SS**  trans64.2159.8158-69.4-48000120.6
445N34.6Very low36.2Very low141 Ų141116 Ų11675%0.75470%0.703SS**  cis-168.8155.8-32.2-158.222.2000112
446A37.5Very low35.9Very low90 Ų90116.1 Ų116.174%0.74470%0.701SS**  trans60.6160.9157.500000121
447S36.3Very low36Very low106 Ų106116.4 Ų116.474%0.74170%0.701SS**  cis-170.5162.2-31.8-164.70000112.5
448V36.4Very low35.8Very low137 Ų137118.4 Ų118.483%0.8370%0.702SS**  trans63.8137.1163.9-155.60000121
449G35.5Very low35.6Very low67 Ų67118.8 Ų118.869%0.69171%0.705SS**  trans105127.315100000117.1
450Q33.6Very low35.3Very low78 Ų78117.3 Ų117.336%0.36471%0.705SS.*  cis162.1170.7-22.4-95-73.320.800106.9N1097 C1098Q450-N1097 WeakPolarHBondContact CB-OD1 3.38Å; Q450-N1097 WeakPolarHBondContact CG-OD1 3.35Å; Q450-N1097 PolarHBondContact NE2-OD1 2.9Å; Q450-N1097 VanDerWaalsContact NE2-OD1 3.17Å; Q450-N1097 PolarHBondContact OE1-OD1 3.27Å; Q450-C1098 PolarHBondContact NE2-O 2.97Å; Q450-C1098 PolarHBondContact OE1-O 3.47Å
451M31.7Very low35.2Very low92 Ų92117.9 Ų117.945%0.45370%0.703SS.*  trans76.9147.8162.3-67.8179.164.400121.4E1095 E1096M451-E1095 HydrophobicContact CE-CB 3.61Å; M451-E1095 HydrophobicContact CE-CG 3.49Å; M451-E1095 VanDerWaalsContact CE-CG 3.49Å; M451-E1096 WeakPolarHBondContact CA-OE2 3.22Å; M451-E1096 WeakPolarHBondContact CB-OE2 3.48Å; M451-E1096 WeakPolarHBondContact CE-OE2 3.36Å; M451-E1096 HydrophobicContact CG-CB 4.17Å; M451-E1096 VanDerWaalsContact CG-O 3.29Å; M451-E1096 WeakPolarHBondContact CG-O 3.3Å; M451-E1096 WeakPolarHBondContact CG-OE2 3.25Å
452S29.7Very low34.6Very low85 Ų85118.7 Ų118.759%0.59471%0.708SS**  trans174.6150.6-179.165.90000109.2E1096S452-E1096 PolarHBondContact N-OE2 2.72Å; S452-E1096 WeakPolarHBondContact O-CG 3.25Å; S452-E1096 VanDerWaalsContact O-OE2 3.04Å
453P40.3Very low34.4Very low97 Ų97118.1 Ų118.163%0.6370%0.704SS**  cis-153.1-151.636.132-3.3000115.7
454I29.9Very low34.2Very low146 Ų146118.9 Ų118.975%0.74971%0.708SS**  trans99.1129.4154.1-64.6164000120.7
455S33.4Very low34Very low99 Ų99116.1 Ų116.169%0.69271%0.705SS**  trans64.5112.4156.5-68.70000124.7
456T34.7Very low33.7Very low126 Ų126115.9 Ų115.977%0.77370%0.704SS**  1.5151.1125.552.60000119.9
457P40.2Very low33.4Very low111 Ų111116.1 Ų116.172%0.72170%0.7SS**  cis-151.5176.843.641.8-20.6000120.4
458L33.4Very low33.1Very low162 Ų162118.7 Ų118.785%0.84870%0.704SS**  trans41.9108.5154-8978.9000123.2
459A33.7Very low32.6Very low88 Ų88117.2 Ų117.273%0.72770%0.7SS**  46130.8115.300000123.4
460L32Very low32.4Very low167 Ų167120.8 Ų120.887%0.87471%0.708SS**  -165.2175.8110.7-105.9167.1000113.7
461L37.4Very low32.2Very low132 Ų132120.3 Ų120.369%0.69172%0.724SS**  trans-108.2164-173.4-65.974.7000112.3
462P31.8Very low32.2Very low127 Ų127123.7 Ų123.783%0.82574%0.739SS**  trans-98.6128.7154.834.7-27.4000112.7
463I30.6Very low32.3Very low142 Ų142125.1 Ų125.173%0.72875%0.746SS**  trans-147.3123.1162.1-56.6177.6000108
464L30.3Very low31.7Very low133 Ų133124.2 Ų124.270%0.69674%0.742SS**  trans-148.5122.4160.3-76.4-177.4000111.5
465T31.3Very low31.7Very low112 Ų112122.8 Ų122.869%0.68774%0.736SS**  trans49-170140.870.40000118.5
466D29Very low31.5Very low136 Ų136127.8 Ų127.873%0.72774%0.739SS**  cis-148.9-160.63.9-138.1-53000114.8
467S31Very low31.6Very low95 Ų95128.9 Ų128.966%0.66473%0.733SS**  trans-126.7-177.9-146.2-46.80000115.5
468I28.7Very low31.2Very low161 Ų161130.1 Ų130.183%0.82673%0.729SS**  trans89.592.4159.9-49.5-175.6000119.4
469S27.4Very low31.2Very low106 Ų106127.9 Ų127.974%0.74172%0.718SS**  69.8161.5118.1-149.60000124.3
470V30Very low31.4Very low141 Ų141128.4 Ų128.486%0.85571%0.713SS**  trans73.9122.4164.6-165.90000119.4
471G30.3Very low31.4Very low69 Ų69125.7 Ų125.771%0.71171%0.705SS**  trans122.6105.9136.100000118.4
472E30.9Very low30.9Very low163 Ų163128.4 Ų128.476%0.76271%0.706SS**  trans-62.4153.3145.7-114.6-132.1121.500109.2S474E472-S474 WeakPolarHBondContact OE1-CA 3.46Å; E472-S474 WeakPolarHBondContact OE1-CB 3.11Å; E472-S474 PolarHBondContact OE1-N 3.28Å
473P32.6Very low30.8Very low115 Ų115131.4 Ų131.475%0.74771%0.707SS**  -148.1138.562.237-16.5000118.1
474S28.1Very low30.8Very low77 Ų77129 Ų12954%0.53870%0.695SS.*  54.1158.1112.6-140.20000123.6E472E472-S474 WeakPolarHBondContact OE1-CA 3.46Å; E472-S474 WeakPolarHBondContact OE1-CB 3.11Å; E472-S474 PolarHBondContact OE1-N 3.28Å
475L29Very low30.7Very low117 Ų117127.5 Ų127.561%0.61370%0.696SS**  trans77.2106.8162.2-52.2-171.4000120.3
476R30Very low30.6Very low203 Ų203128 Ų12877%0.76670%0.695SS**  78.8141.1117.8-70178.9178.7165.33.4117.7
477K37Very low30.6Very low150 Ų150128.3 Ų128.365%0.65270%0.696SS**  cis-161.1142.112.6-119.9164.8168.2-110.20110.8
478Q31.1Very low30.5Very low136 Ų136128.4 Ų128.464%0.63670%0.697SS**  trans59147137.6-64.9-179.9-89.600120.3
479D34.1Very low30.5Very low115 Ų115125.3 Ų125.362%0.61569%0.689SS**  cis-153.3143.2-13.4-100.6-36.6000106.6
480T36.1Very low30.7Very low100 Ų100126.4 Ų126.461%0.61369%0.687SS**  52.1143.165.916.50000114.5R482T480-R482 HydrophobicContact CG2-CB 3.87Å
481P32.5Very low30.6Very low110 Ų110129.6 Ų129.671%0.71469%0.69SS**  cis-113.7169.325.741.5-31.9000114F483P481-F483 HydrophobicContact CB-CD2 4.49Å
482R26.2Very low30.5Very low189 Ų189129.7 Ų129.771%0.71369%0.691SS**  cis73.977.53.3-153.1179.8-170.5-168.12.8119.8T480 N484T480-R482 HydrophobicContact CG2-CB 3.87Å; R482-N484 HydrophobicContact CG-CB 3.93Å; R482-N484 PolarHBondContact NH2-OD1 3.01Å
483F30.9Very low30.4Very low190 Ų190129.4 Ų129.483%0.83369%0.694SS**  trans-127.7122.5140-76.5-87.5000106.5P481P481-F483 HydrophobicContact CB-CD2 4.49Å
484N29.5Very low30.6Very low90 Ų90130.8 Ų130.848%0.48170%0.696SS.*  cis72.678.35.3-159.6109.8000116.8R482R482-N484 HydrophobicContact CG-CB 3.93Å; R482-N484 PolarHBondContact NH2-OD1 3.01Å
485S30.1Very low31Very low103 Ų103132.4 Ų132.472%0.7271%0.705SS**  trans-174149.4148.350.50000111.2
486N28.9Very low31Very low123 Ų123132 Ų13266%0.65871%0.707SS**  cis-178.3167.3-32.6-110.99.7000107.6
487N27.5Very low30.8Very low142 Ų142127.9 Ų127.976%0.75971%0.705SS**  trans67.9142.8161.3-58.9-1.6000116.7
488S28.9Very low30.3Very low97 Ų97125.8 Ų125.868%0.67870%0.704SS**  cis115.71472.475.60000114.5
489S28.6Very low30.1Very low96 Ų96127 Ų12767%0.67171%0.71SS**  trans83.6150.3163.285.40000120
490D31.7Very low29.7Very low129 Ų129125.8 Ų125.869%0.6971%0.71SS**  trans70.3130.3161.4-47.1-49.1000118.8
491F27.8Very low29.2Very low207 Ų207129.1 Ų129.191%0.90872%0.719SS**  cis68.2132.348.2-82.9-83.9000113.8
492G29.3Very low29Very low72 Ų72131 Ų13174%0.74272%0.723SS**  trans130.5103.1158.700000116.7
493N29.1Very low29Very low156 Ų156126 Ų12683%0.83472%0.718SS**  trans-53141.3170.2-48-55.3000115.7
494N36.6Very low28.8Very low144 Ų144123.6 Ų123.677%0.7771%0.713SS**  trans60-176.3151.4-83.1-9.8000116.4
495P36.1Very low28.8Very low112 Ų112128 Ų12873%0.72773%0.728SS**  cis-95.7172.5-12.16.218.7000112.3
496T29.6Very low28.7Very low107 Ų107129.1 Ų129.166%0.65673%0.726SS**  66.6149.850.9-34.30000113.8
497T25.3Very low28.6Very low118 Ų118132.1 Ų132.172%0.72473%0.733SS**  trans70.1143.1174.569.90000116.6
498T26.1Very low28.7Very low105 Ų105128.5 Ų128.564%0.64473%0.73SS**  cis-158.8-173.7-22.120.50000107.9
499E26.8Very low29Very low162 Ų162132.8 Ų132.876%0.75774%0.739SS**  trans66.2107.2157.2-70.6136.5-104.500116.9
500S25.6Very low29.2Very low89 Ų89132.6 Ų132.662%0.62274%0.738SS**  cis95.4124.34670.90000113.9
501E26.8Very low29.3Very low170 Ų170131.7 Ų131.779%0.79474%0.741SS**  trans77.3152.8151.8-66.1170.8-166.200120
502N27.3Very low29.6Very low150 Ų150125.2 Ų125.280%0.80273%0.732SS**  trans76.8138.5176-50.3-67.1000118.2
503S26.5Very low29.9Very low85 Ų85128 Ų12859%0.59473%0.731SS**  cis-174145.3-35.549.90000109.1
504N26.8Very low30.1Very low138 Ų138128.3 Ų128.374%0.73873%0.727SS**  trans56.7123160.7-51.3-44.1000117.2
505F29.1Very low29.9Very low183 Ų183130.7 Ų130.780%0.80373%0.727SS**  -165.5131.567.9-108.5-103.2000112
506N27.6Very low29.6Very low126 Ų126129.2 Ų129.267%0.67472%0.718SS**  trans37.3142.2134-68.9-66.4000122.7
507K27.9Very low29.7Very low186 Ų186129.9 Ų129.981%0.80972%0.717SS**  cis179.3129.6-1.5172.7174.5-174.4173.50113.4
508G29.3Very low30Very low67 Ų67130.5 Ų130.569%0.69172%0.716SS**  trans72.3155.7163.800000116.7
509H35.1Very low30.3Very low187 Ų187129.1 Ų129.187%0.86671%0.711SS**  cis-153.5160.91.2-81.3-99.4000107.7
510S32.2Very low30.5Very low92 Ų92129.6 Ų129.664%0.64371%0.713SS**  cis-169.9154.7-18.8-174.20000109.6
511S33.4Very low30.9Very low110 Ų110134.7 Ų134.777%0.76972%0.724SS**  trans23.3141.415058.40000121.4
512G35.4Very low31.2Very low70 Ų70131.7 Ų131.772%0.72272%0.722SS**  cis162.7177.816.800000107.5
513N34.7Very low31.7Very low132 Ų132130.7 Ų130.771%0.70672%0.723SS**  cis-151.3145.76.2-98.510.4000107.3
514Q33.4Very low31.8Very low161 Ų161130.4 Ų130.475%0.75273%0.734SS**  54.613889.2-62.1176.6-4.400114
515Y32.7Very low32.1Very low195 Ų195132 Ų13277%0.76574%0.737SS**  cis-159.5145.132.2-155.2-130.9000111.4
516C30.3Very low32Very low81 Ų81133.4 Ų133.455%0.54774%0.737SS.*  38.1156.9129.6-64.20000122.6
517D32.2Very low32.2Very low120 Ų120136.3 Ų136.364%0.64275%0.746SS**  cis-170.6162.30.8-117.26.2000112.8
518N31.4Very low32.2Very low131 Ų131132.4 Ų132.470%0.70174%0.742SS**  trans57158.9141.8-71.7-40.8000122.6
519S30.9Very low32.4Very low76 Ų76137.3 Ų137.353%0.53175%0.753SS.*  cis-172.5166.9-29.7-104.20000110.4
520H32.6Very low32Very low173 Ų173135.5 Ų135.580%0.80175%0.75SS**  trans69.8158.6166.2-53.8-51.3000117
521K33.9Very low31.9Very low196 Ų196138.9 Ų138.985%0.85276%0.76SS**  cis-151.3163.7-0.7-134.7166.2-174.8179.10111
522S32.4Very low31.7Very low107 Ų107143.1 Ų143.175%0.74877%0.765SS**  trans-98.1-166.2176-23.70000111.3
523P37Very low31.2Very low128 Ų128146.3 Ų146.383%0.83178%0.775SS**  cis-130.7-177.7-39.736-18.8000113.1
524G30Very low31.1Very low80 Ų80145 Ų14583%0.82578%0.775SS**  trans105.1160170.900000113.9
525H33.3Very low30.9Very low172 Ų172145 Ų14580%0.79678%0.779SS**  cis-129.3179.63.5-168.2-101.9000111.3
526R26.7Very low30.8Very low211 Ų211140.4 Ų140.480%0.79677%0.773SS**  trans-72.5141.2170.4-58170.2178.1166.1-2.8110.6
527E31.8Very low30.6Very low188 Ų188143.5 Ų143.588%0.87978%0.784SS**  -156157.1128.6-130105.5-116.300108.1
528S28.2Very low30.4Very low104 Ų104145.2 Ų145.273%0.72779%0.792SS**  trans-107.9121.7-174.2-60.50000111.5
529D32.6Very low30.2Very low169 Ų169141.5 Ų141.590%0.90479%0.785SS**  trans-144.8125.4154.9-103-43.2000110.6N531D529-N531 PolarHBondContact O-N 3.16Å
530N27.4Very low30.2Very low150 Ų150146.8 Ų146.880%0.80280%0.801SS**  trans-91.188-164.3-66-60000112
531N29.1Very low30.3Very low163 Ų163143.3 Ų143.387%0.87279%0.792SS**  trans-156.890.7167.2-99.1-44.4000114.1D529D529-N531 PolarHBondContact O-N 3.16Å
532K29.5Very low29.8Very low199 Ų199138.9 Ų138.987%0.86579%0.785SS**  trans-164.476.7165.4-117.9163.1-172.5166.70112.8S534K532-S534 PolarHBondContact O-N 2.77Å
533C25.1Very low29.6Very low137 Ų137140.3 Ų140.393%0.92678%0.784SS**  trans-64.5131.8178.2-169.50000111.2
534S32.6Very low29.1Very low103 Ų103141 Ų14172%0.7278%0.78SS**  trans-123.8138.6-179.6-640000111.3K532K532-S534 PolarHBondContact O-N 2.77Å
535I28.2Very low29Very low162 Ų162142.4 Ų142.483%0.83177%0.772SS**  trans-51148.1163.1-65165.7000109.5
536P32.2Very low28.8Very low99 Ų99139.5 Ų139.564%0.64376%0.762SS**  cis-135.2-158.69.131.6-7.3000114.4
537L26.1Very low28.8Very low146 Ų146135.6 Ų135.676%0.76476%0.756SS**  trans74.3127.4141.7-86.3171.5000120.3
538L26.4Very low28.6Very low155 Ų155135.4 Ų135.481%0.81275%0.752SS**  59.498128.7-151.982.4000118.9
539G29Very low28.6Very low54 Ų54139.4 Ų139.456%0.55776%0.756SS**  86.7107.5125.800000118.5
540Q29.4Very low28.4Very low186 Ų186136.9 Ų136.987%0.86975%0.752SS**  -89.5122.7116.4-68.5168.1-20.800105.7
541V34.4Very low28.7Very low101 Ų101132.9 Ų132.961%0.61275%0.746SS**  cis60.6547-162.10000113.1
542C24.8Very low28.6Very low103 Ų103133.9 Ų133.970%0.69675%0.745SS**  trans-112.1109.5140.5-60.60000103.9
543N27.3Very low28.4Very low136 Ų136128.5 Ų128.573%0.72773%0.733SS**  cis45.371.949.5-76-1.9000111.2
544L27.5Very low28.6Very low144 Ų144126.6 Ų126.675%0.75472%0.717SS**  trans-116.990.7145.7-168.458.9000108.5D546L544-D546 WeakPolarHBondContact CD1-OD2 3.44Å; L544-D546 WeakPolarHBondContact CG-OD2 3.33Å; L544-D546 PolarHBondContact O-N 2.85Å
545V27.6Very low28.4Very low108 Ų108129 Ų12966%0.65572%0.717SS**  trans-85.195.5164.5171.70000106.1I547V545-I547 HydrophobicContact CG1-CD1 4.2Å; V545-I547 HydrophobicContact CG1-CG1 3.89Å; V545-I547 WeakPolarHBondContact O-CD1 3.23Å; V545-I547 WeakPolarHBondContact O-CG1 3.16Å
546D28.9Very low28.6Very low111 Ų111127.5 Ų127.559%0.59472%0.715SS**  trans-111.5102.7161.8-86.8-47000106.1L544L544-D546 WeakPolarHBondContact CD1-OD2 3.44Å; L544-D546 WeakPolarHBondContact CG-OD2 3.33Å; L544-D546 PolarHBondContact O-N 2.85Å
547I26.5Very low28.4Very low130 Ų130127 Ų12767%0.66771%0.707SS**  60.757.956.9-44176.5000112.4V545V545-I547 HydrophobicContact CG1-CD1 4.2Å; V545-I547 HydrophobicContact CG1-CG1 3.89Å; V545-I547 WeakPolarHBondContact O-CD1 3.23Å; V545-I547 WeakPolarHBondContact O-CG1 3.16Å
548K28Very low28.3Very low183 Ų183125.6 Ų125.680%0.79671%0.708SS**  trans-154132.8134.5-83.4116.4-169.7171.30107.4
549K28.7Very low28.3Very low189 Ų189125.7 Ų125.782%0.82271%0.708SS**  cis-153.1168.5-3.4-125.3178.1-178.2-177.50110
550S27.1Very low28.1Very low115 Ų115130.6 Ų130.680%0.80472%0.716SS**  trans-27137.7165.451.20000118.3
551G33.6Very low28Very low66 Ų66127.9 Ų127.968%0.6871%0.708SS**  trans151.5124.3168.700000109.4
552Q27.5Very low27.6Very low184 Ų184125.9 Ų125.986%0.8670%0.698SS**  45.799.270.6-74.9179.5-2300110.5
553S25Very low27.8Very low86 Ų86128.2 Ų128.260%0.60170%0.699SS**  72.6165.277.372.20000112.4
554V29.9Very low28Very low98 Ų98124.7 Ų124.759%0.59470%0.695SS**  trans70.4156.3177.5-179.20000114R1322V554-R1322 PolarHBondContact O-NH2 3.22Å
555E29.3Very low28Very low153 Ų153124.2 Ų124.272%0.71570%0.698SS**  trans-47.8178.5-178.8-57.1144.8144.400114.8
556T31Very low27.9Very low130 Ų130124 Ų12480%0.79870%0.701SS**  cis-148.2168.57.1-240000109.4
557D27.7Very low27.9Very low89 Ų89126.8 Ų126.848%0.47671%0.707SS.*  trans-72.9171.4167.3-74.1-105.8000112.6Y1320D557-Y1320 HydrophobicContact CB-CD1 3.84Å; D557-Y1320 HydrophobicContact CB-CE1 3.41Å; D557-Y1320 VanDerWaalsContact CB-CE1 3.41Å; D557-Y1320 WeakPolarHBondContact OD2-CD1 3.31Å
558C24.2Very low28Very low116 Ų116127.6 Ų127.678%0.78471%0.708SS**  trans-47.9152.3-169.8-42.70000117.5
559I26.1Very low27.9Very low158 Ų158124.2 Ų124.281%0.8170%0.703SS**  trans-161.5165.4134.3-106.8157.1000111.6
560E26.1Very low27.9Very low156 Ų156119.1 Ų119.173%0.72969%0.691SS**  trans-70.9166.7-168.1-52.9113.7135.100116.2
561N26.7Very low27.9Very low130 Ų130122.6 Ų122.670%0.69569%0.686SS**  trans162.2155139.9-86.2-26.5000110.1
562S27.1Very low27.5Very low59 Ų59125.7 Ų125.741%0.41368%0.683SS.*  cis-174.4148.7-23.350.70000106.9
563E28.3Very low27.5Very low151 Ų151122.6 Ų122.671%0.70668%0.677SS**  trans63.5161.4170.9-59.2150-147.900115.1
564G30.5Very low27.5Very low62 Ų62123 Ų12364%0.63968%0.679SS**  cis158.9144.6-13.200000113
565T28.4Very low27.5Very low135 Ų135123.7 Ų123.783%0.82869%0.689SS**  trans79.8153.4162.2-41.50000118.1
566C24.5Very low27.5Very low104 Ų104121.8 Ų121.870%0.70369%0.69SS**  trans71.8125.8179.2-74.30000116.1
567K29.5Very low27.3Very low168 Ų168121.5 Ų121.573%0.7369%0.687SS**  cis68.6136.445.6-58.8172.7175.9-176.50110.8
568Q28.7Very low27.3Very low147 Ų147124.7 Ų124.769%0.68770%0.704SS**  cis-157.4171.48.7-130.9170.9-82.200111.1
569V26.8Very low27.7Very low113 Ų113124.9 Ų124.969%0.68570%0.702SS**  23127.7122.5159.80000115.5
570S28Very low27.9Very low81 Ų81123.6 Ų123.657%0.56670%0.703SS**  cis177.6170.18.5-115.30000113.8
571R27.3Very low28.1Very low188 Ų188123.5 Ų123.571%0.70971%0.708SS**  trans71.6142.5139-72.8172.8120.3106.528.9116.2
572E25.8Very low28.2Very low131 Ų131122.8 Ų122.861%0.61271%0.712SS**  55.713295.7-42.9160.9-176.300112.2
573T26.7Very low28.4Very low120 Ų120125.6 Ų125.674%0.73673%0.731SS**  cis-151.5155.512-18.90000112.6
574S24.1Very low28.4Very low93 Ų93121.8 Ų121.865%0.6573%0.733SS**  trans15.6123.6148.959.30000120.6
575S29.8Very low28.3Very low114 Ų114127.8 Ų127.880%0.79774%0.744SS**  trans70.8170.3148.3-47.40000116.4
576P29.2Very low28.2Very low112 Ų112126.3 Ų126.373%0.72774%0.735SS**  cis-123.1177.8-1141.4-27.4000113.9
577V27.2Very low28.5Very low124 Ų124127.6 Ų127.675%0.75273%0.734SS**  trans9.7131.6137.4-177.80000119.2
578L27.7Very low28.5Very low156 Ų156126.1 Ų126.182%0.81773%0.734SS**  trans86.9168.6157.1-80.4168.9000121.4
579T33.4Very low28.8Very low121 Ų121126.4 Ų126.474%0.74274%0.735SS**  trans-74.7168.1-158.545.90000116.3
580P30.6Very low29.3Very low130 Ų130127 Ų12784%0.84474%0.735SS**  -143.4177.911340.1-27.8000114.9
581N30.5Very low30Very low155 Ų155130 Ų13083%0.82974%0.744SS**  trans-121.2148.1175.4-16817.2000110.8
582C27.7Very low30.6Very low115 Ų115128 Ų12878%0.77775%0.748SS**  trans-177.3170.2174.9-98.80000112.2
583S31.3Very low31.3Very low117 Ų117128.6 Ų128.682%0.81876%0.755SS**  cis171.7146-39.8-91.20000111.1
584G29.5Very low31.7Very low72 Ų72128.5 Ų128.574%0.74275%0.754SS**  trans127116.5148.500000120.7
585H27.4Very low32.2Very low187 Ų187130.8 Ų130.887%0.86676%0.764SS**  trans65.9145.1157.6-100.9-64.4000118.7
586V26.9Very low32.6Very low105 Ų105128.6 Ų128.664%0.63676%0.76SS**  cis-146.3159.112.2-157.70000110.7
587N29.7Very low32.9Very low130 Ų130129.7 Ų129.770%0.69576%0.759SS**  trans99.8108.3153.9-59.1-37.1000120.4
588N30.5Very low33.4Very low137 Ų137132.4 Ų132.473%0.73376%0.761SS**  trans79.4115133.9-56.3-4.9000122.4
589H35.4Very low34Very low153 Ų153131.6 Ų131.671%0.70876%0.758SS**  trans66.4113.4134.6-77.7-74.8000122.4
590D36.9Very low33.9Very low126 Ų126133 Ų13367%0.67476%0.761SS**  82.5147.6127.2-52-10.2000122.5
591D42.5Very low33.9Very low143 Ų143133.5 Ų133.577%0.76576%0.757SS**  trans66.899.5158.2-52.2-18.4000122.8
592D40.3Very low34Very low148 Ų148129.6 Ų129.679%0.79174%0.736SS**  53.8151.6122.8-63.1-23.7000126.4
593D39.6Very low34Very low143 Ų143132.1 Ų132.177%0.76574%0.741SS**  trans79.3109.7146.8-80.5-12.6000126.1
594V36.3Very low34Very low118 Ų118132.9 Ų132.972%0.71573%0.732SS**  68.2105.1116.5176.10000122.4
595V34.9Very low34.1Very low140 Ų140134 Ų13485%0.84873%0.728SS**  trans66.4125.2133.3178.40000122.5
596G36.6Very low34.4Very low69 Ų69131.7 Ų131.771%0.71172%0.722SS**  trans98.1150.1142.900000117.6
597D37.3Very low34.7Very low134 Ų134131.8 Ų131.872%0.71772%0.723SS**  cis-162.6162.8-14.6-149.6-11.8000111.5
598F37.4Very low34.6Very low181 Ų181131 Ų13179%0.79472%0.723SS**  trans63.5144.1167.9-68.6-67.6000123.2
599D39.1Very low34.4Very low140 Ų140129.8 Ų129.875%0.74972%0.721SS**  trans-74.6174.3-175-67.8-73.4000116.2
600N32.7Very low34.8Very low151 Ų151128.8 Ų128.881%0.80773%0.728SS**  trans69.576.6162.4-59.9-65.8000115.7
601N29.4Very low34.4Very low140 Ų140127.9 Ų127.975%0.74973%0.726SS**  trans-149155.9131.1-123.913.3000113.8
602D32.6Very low33.9Very low72 Ų72128.7 Ų128.739%0.38573%0.729SS.*  trans56.4104.9146.6-56.2-37.5000120.4Q604D602-Q604 HydrophobicContact CB-CB 3.96Å; D602-Q604 WeakPolarHBondContact OD1-CB 3.44Å; D602-Q604 WeakPolarHBondContact OD1-CG 3.4Å; D602-Q604 PolarHBondContact OD1-NE2 2.99Å; D602-Q604 PolarHBondContact OD2-NE2 2.74Å
603N28.5Very low33.3Very low168 Ų168127.5 Ų127.590%0.89872%0.723SS**  -133.591.377.4-77.2-95.6000106.9
604Q31.3Very low32.7Very low134 Ų134127 Ų12763%0.62672%0.719SS**  67.3120.768-150.3179.985.900112.3D602D602-Q604 HydrophobicContact CB-CB 3.96Å; D602-Q604 WeakPolarHBondContact OD1-CB 3.44Å; D602-Q604 WeakPolarHBondContact OD1-CG 3.4Å; D602-Q604 PolarHBondContact OD1-NE2 2.99Å; D602-Q604 PolarHBondContact OD2-NE2 2.74Å
605S30.4Very low32.3Very low94 Ų94127.7 Ų127.766%0.65772%0.719SS**  trans62.5119.9-170.769.20000114.7
606N34Very low31.9Very low139 Ų139127.3 Ų127.374%0.74372%0.717SS**  cis56.3112.320.4-58.9-15.6000114
607V33Very low31.6Very low107 Ų107128.9 Ų128.965%0.64872%0.717SS**  cis-127.579.6-9.2-173.90000110.4D1440V607-D1440 PolarHBondContact N-OD2 2.7Å
608T27.9Very low31.3Very low114 Ų114130.8 Ų130.870%0.69972%0.719SS**  trans-89.8146.7-156.1-33.70000116.3
609T27.1Very low31Very low111 Ų111129 Ų12968%0.68172%0.718SS**  trans-75.7147.1177.825.80000113.6V611T609-V611 PolarHBondContact O-N 2.63Å
610P43.7Very low30.6Very low132 Ų132128.6 Ų128.686%0.85772%0.716SS**  trans-74.195.1176.629.9-34.5000111.8
611V28.9Very low30.6Very low107 Ų107127.9 Ų127.965%0.64871%0.712SS**  trans-122.599.3171.4-179.70000109.9T609T609-V611 PolarHBondContact O-N 2.63Å
612I31.7Very low30.9Very low161 Ų161129.6 Ų129.683%0.82672%0.719SS**  trans-138105170.9-58.4178.3000104.6
613N27Very low30.9Very low123 Ų123133.6 Ų133.666%0.65874%0.736SS**  56.6139.270.9-73.6-15.7000112.9
614L26.6Very low30.9Very low132 Ų132133.3 Ų133.369%0.69173%0.731SS**  cis-161.5-168.8-13.2-124.9168.5000107.3
615N28.9Very low30.7Very low132 Ų132132.3 Ų132.371%0.70674%0.739SS**  trans66.779.9156.3-55.5-22.3000119.3
616T26.2Very low31Very low132 Ų132134 Ų13481%0.8174%0.74SS**  21.3118.3107.1-44.10000118.3
617S30.1Very low31Very low102 Ų102135.3 Ų135.371%0.71374%0.742SS**  175110.2111.3-176.20000114.8
618K31.6Very low31Very low175 Ų175134.2 Ų134.276%0.76174%0.738SS**  trans31.3115.9136.5-63.7-177.9176.7-177.50120.4
619N30.3Very low31.7Very low144 Ų144131.5 Ų131.577%0.7772%0.724SS**  -176.4112.888.4-99.6-13.6000113.2
620D31.2Very low32.4Very low130 Ų130131.9 Ų131.970%0.69572%0.721SS**  trans-4.7131.5151.8-42.1-28.7000119.6
621N32.7Very low32.2Very low136 Ų136130.5 Ų130.573%0.72771%0.706SS**  171.6116.196.5-91.1-66.2000114.2
622I35.5Very low33.3Very low177 Ų177130.6 Ų130.691%0.90870%0.698SS**  trans-172.3142140.6-100.3158.5000107.6
623Q31.8Very low34.2Very low156 Ų156128.1 Ų128.173%0.72968%0.681SS**  trans-102.4144.9-157.6-88.7174.7-107.400116.8
624M28.1Very low35.2Very low161 Ų161127.3 Ų127.379%0.79368%0.676SS**  trans59.694.9141.6-66.3167.648.200120.7
625S28.3Very low36.5Very low114 Ų114127.8 Ų127.880%0.79767%0.672SS**  trans-169.611.514259.50000119.7
626N36.2Very low37.7Very low128 Ų128122.8 Ų122.868%0.68465%0.646SS**  trans-116.6-7.7-163.3-97.9-57000121.4C628N626-C628 PolarHBondContact O-N 2.71Å
627E34.9Very low38.8Very low168 Ų168117.6 Ų117.679%0.78562%0.615SS**Hα-helixtrans-65.1-12.4-173.6-66.9-161.2112.700116.1S629 N631E627-S629 PolarHBondContact O-N 3.38Å; E627-N631 PolarHBondContact O-ND2 3.28Å
628C31.7Very low39.8Very low83 Ų83114.8 Ų114.856%0.56160%0.598SS**Hα-helixtrans-71.5-26.7-175-164.30000113.3N626 K632N626-C628 PolarHBondContact O-N 2.71Å; C628-K632 WeakPolarHBondContact O-CD 3.43Å; C628-K632 WeakPolarHBondContact O-CE 3.21Å; C628-K632 WeakPolarHBondContact O-CG 3.49Å; C628-K632 WeakPolarHBondContact SG-CE 3.49Å; C628-K632 PolarHBondContact SG-NZ 3.28Å
629S43.9Very low40.9Very low57 Ų57110.5 Ų110.540%0.39958%0.582SS.*Hα-helixtrans-89.9-43.3-166.8-66.10000114.5E627 N631 K632 K633E627-S629 PolarHBondContact O-N 3.38Å; S629-N631 PolarHBondContact O-N 3Å; S629-K632 WeakPolarHBondContact O-CB 3.19Å; S629-K632 PolarHBondContact O-N 2.9Å; S629-K633 PolarHBondContact O-N 3Å
630I41.8Very low42Very low120 Ų120106.8 Ų106.862%0.61556%0.562SS**Hα-helixtrans-58-42177.1-54.5174.4000110.5K632 K633 L634I630-K632 VanDerWaalsContact C-N 3.26Å; I630-K632 PolarHBondContact O-N 3Å; I630-K633 PolarHBondContact O-N 3.01Å; I630-L634 HydrophobicContact CG2-CD1 4.19Å; I630-L634 PolarHBondContact O-N 2.82Å; I630-L634 VanDerWaalsContact O-N 3.14Å
631N38.9Very low42.9Very low103 Ų103104.5 Ų104.555%0.55155%0.55SS*.Hα-helixtrans-62.2-25.8175.8-79.4-68.6000114E627 S629 K635E627-N631 PolarHBondContact O-ND2 3.28Å; S629-N631 PolarHBondContact O-N 3Å; N631-K635 WeakPolarHBondContact O-CB 3.4Å; N631-K635 PolarHBondContact O-N 2.94Å
632K52.2Low43.9Very low109 Ų109104.9 Ų104.947%0.47455%0.545SS..Hα-helixtrans-74.3-46.3173.5-65.2161.9-165.2160.70110.8C628 S629 I630 L634 K635 L636C628-K632 WeakPolarHBondContact O-CD 3.43Å; C628-K632 WeakPolarHBondContact O-CE 3.21Å; C628-K632 WeakPolarHBondContact O-CG 3.49Å; C628-K632 WeakPolarHBondContact SG-CE 3.49Å; C628-K632 PolarHBondContact SG-NZ 3.28Å; S629-K632 WeakPolarHBondContact O-CB 3.19Å; S629-K632 PolarHBondContact O-N 2.9Å; I630-K632 VanDerWaalsContact C-N 3.26Å; I630-K632 PolarHBondContact O-N 3Å; K632-L634 PolarHBondContact O-N 3.09Å; K632-K635 PolarHBondContact O-N 3.22Å; K632-K635 VanDerWaalsContact O-N 3.17Å; K632-L636 PolarHBondContact O-N 3.17Å
633K49.7Very low44.5Very low109 Ų10997.9 Ų97.947%0.47451%0.509SS..Hα-helixtrans-58.3-49-179.8-163.5163.4-178.2159.60111.5S629 I630 K635 L636 S637 V845S629-K633 PolarHBondContact O-N 3Å; I630-K633 PolarHBondContact O-N 3.01Å; K633-K635 PolarHBondContact O-N 3.14Å; K633-L636 PolarHBondContact O-N 3.37Å; K633-S637 PolarHBondContact O-N 3.44Å; K633-S637 VanDerWaalsContact O-N 3.17Å; K633-V845 HydrophobicContact CD-CG1 3.99Å; K633-V845 HydrophobicContact CG-CG1 4.44Å; K633-V845 HydrophobicContact CG-CG2 4.39Å
634L48.2Very low45.1Very low106 Ų10695.6 Ų95.656%0.55550%0.502SS*.Hα-helixtrans-64.6-34.2175.4-67.8173.2000113.6I630 K632 S637 A638I630-L634 HydrophobicContact CG2-CD1 4.19Å; I630-L634 PolarHBondContact O-N 2.82Å; I630-L634 VanDerWaalsContact O-N 3.14Å; K632-L634 PolarHBondContact O-N 3.09Å; L634-S637 PolarHBondContact O-OG 3.49Å; L634-A638 WeakPolarHBondContact O-CB 3.48Å; L634-A638 PolarHBondContact O-N 3.31Å
635K54.4Low46Very low141 Ų14196.7 Ų96.761%0.61351%0.505SS*.Hα-helixtrans-73.8-34.1179.2-167.1171.4-168.1169.10111.9N631 K632 K633 I639N631-K635 WeakPolarHBondContact O-CB 3.4Å; N631-K635 PolarHBondContact O-N 2.94Å; K632-K635 PolarHBondContact O-N 3.22Å; K632-K635 VanDerWaalsContact O-N 3.17Å; K633-K635 PolarHBondContact O-N 3.14Å; K635-I639 HydrophobicContact CG-CD1 4.25Å; K635-I639 WeakPolarHBondContact O-CB 3.07Å; K635-I639 WeakPolarHBondContact O-CD1 3.36Å; K635-I639 WeakPolarHBondContact O-CG1 3.3Å; K635-I639 PolarHBondContact O-N 3.09Å
636L54.5Low46.9Very low27 Ų2796 Ų9614%0.14149%0.492CS..Hα-helixtrans-69.7-47.9176.7-163.763.9000111.4K632 K633 A638 I639 L640 M662 L841K632-L636 PolarHBondContact O-N 3.17Å; K633-L636 PolarHBondContact O-N 3.37Å; L636-A638 VanDerWaalsContact C-N 3.35Å; L636-A638 PolarHBondContact O-N 3.32Å; L636-I639 PolarHBondContact O-N 2.96Å; L636-L640 PolarHBondContact O-N 3.5Å; L636-M662 HydrophobicContact CD1-CE 3.72Å; L636-M662 HydrophobicContact CD1-SD 3.36Å; L636-M662 WeakPolarHBondContact CD1-SD 3.12Å; L636-M662 HydrophobicContact CD2-CE 4.3Å; L636-L841 HydrophobicContact CB-CD1 4.19Å; L636-L841 HydrophobicContact CD2-CD1 3.69Å; L636-L841 HydrophobicContact CG-CD1 3.65Å
637S48.5Very low47.4Very low23 Ų23101.3 Ų101.316%0.16150%0.503CS..Hα-helixtrans-59.2-44.1173.267.70000111.4K633 L634 I639 L640 N641K633-S637 PolarHBondContact O-N 3.44Å; K633-S637 VanDerWaalsContact O-N 3.17Å; L634-S637 PolarHBondContact O-OG 3.49Å; S637-I639 VanDerWaalsContact C-N 3.31Å; S637-I639 PolarHBondContact O-N 3.17Å; S637-L640 PolarHBondContact O-N 2.81Å; S637-N641 WeakPolarHBondContact O-CB 3.25Å; S637-N641 PolarHBondContact O-N 3.3Å
638A50.7Low48.7Very low43 Ų43103.4 Ų103.436%0.35551%0.51SS..Hα-helixtrans-64.4-28.4177.300000114.2L634 L636 K642L634-A638 WeakPolarHBondContact O-CB 3.48Å; L634-A638 PolarHBondContact O-N 3.31Å; L636-A638 VanDerWaalsContact C-N 3.35Å; L636-A638 PolarHBondContact O-N 3.32Å; A638-K642 VanDerWaalsContact O-CB 3.31Å; A638-K642 WeakPolarHBondContact O-CB 3.38Å; A638-K642 PolarHBondContact O-N 3.25Å
639I55.1Low50.9Low85 Ų85103.3 Ų103.344%0.43650%0.501SS..Hα-helixtrans-74.6-29.2176.6-76.9166.7000111.8K635 L636 S637 N643 R651K635-I639 HydrophobicContact CG-CD1 4.25Å; K635-I639 WeakPolarHBondContact O-CB 3.07Å; K635-I639 WeakPolarHBondContact O-CD1 3.36Å; K635-I639 WeakPolarHBondContact O-CG1 3.3Å; K635-I639 PolarHBondContact O-N 3.09Å; L636-I639 PolarHBondContact O-N 2.96Å; S637-I639 VanDerWaalsContact C-N 3.31Å; S637-I639 PolarHBondContact O-N 3.17Å; I639-N643 PolarHBondContact O-ND2 3.26Å; I639-R651 VanDerWaalsContact O-CZ 3.23Å; I639-R651 PolarHBondContact O-NH1 3.18Å; I639-R651 PolarHBondContact O-NH2 2.64Å
640L53.3Low52.9Low67 Ų67103 Ų10335%0.35150%0.497SS..Hα-helixtrans-89.1-42.7177.2-72.6161.9000112.1L636 S637 K642 N643 L841L636-L640 PolarHBondContact O-N 3.5Å; S637-L640 PolarHBondContact O-N 2.81Å; L640-K642 VanDerWaalsContact C-N 3.31Å; L640-K642 PolarHBondContact O-N 2.99Å; L640-N643 PolarHBondContact O-N 2.93Å; L640-N643 PolarHBondContact O-ND2 3.12Å; L640-L841 HydrophobicContact CD1-CD1 3.69Å
641N49.9Very low55.1Low81 Ų81102 Ų10243%0.43349%0.485SS..Hα-helixtrans-70.3-22.8178.8-71.2-8.9000113.3S637 N643 N644S637-N641 WeakPolarHBondContact O-CB 3.25Å; S637-N641 PolarHBondContact O-N 3.3Å; N641-N643 PolarHBondContact O-N 2.87Å; N641-N644 PolarHBondContact O-N 3Å; N641-N644 VanDerWaalsContact O-N 3.08Å
642K53.5Low57.7Low144 Ų144104 Ų10463%0.62649%0.485SS*.THydrogen-bonded Turntrans-64.66171.3-98.9-177.9172.262.50115.4A638 L640A638-K642 VanDerWaalsContact O-CB 3.31Å; A638-K642 WeakPolarHBondContact O-CB 3.38Å; A638-K642 PolarHBondContact O-N 3.25Å; L640-K642 VanDerWaalsContact C-N 3.31Å; L640-K642 PolarHBondContact O-N 2.99Å
643N48.6Very low59.7Low30 Ų30100.5 Ų100.516%0.1647%0.473CS..THydrogen-bonded Turntrans-102.8-14.3172.1-50.2-74.5000113.2I639 L640 N641 Q645 D646 R651I639-N643 PolarHBondContact O-ND2 3.26Å; L640-N643 PolarHBondContact O-N 2.93Å; L640-N643 PolarHBondContact O-ND2 3.12Å; N641-N643 PolarHBondContact O-N 2.87Å; N643-Q645 PolarHBondContact O-N 3.28Å; N643-Q645 VanDerWaalsContact O-N 3.09Å; N643-D646 CarbonylContact O-C 3.51Å; N643-D646 PolarHBondContact O-N 3.27Å; N643-R651 VanDerWaalsContact CG-NE 3.32Å; N643-R651 PolarHBondContact ND2-NE 2.96Å; N643-R651 VanDerWaalsContact ND2-NE 3.16Å; N643-R651 PolarHBondContact ND2-NH2 3.08Å; N643-R651 VanDerWaalsContact ND2-NH2 3.14Å; N643-R651 PolarHBondContact OD1-NE 2.9Å; N643-R651 PolarHBondContact OD1-NH2 3.24Å
644N45.7Very low61.9Low109 Ų10998 Ų9858%0.58346%0.464SS*.THydrogen-bonded Turntrans-73.4-1.4-178.7-67.2-5.2000113.5N641N641-N644 PolarHBondContact O-N 3Å; N641-N644 VanDerWaalsContact O-N 3.08Å
645Q45.9Very low64.2Low183 Ų18397.2 Ų97.286%0.85546%0.46SS*.THydrogen-bonded Turntrans-93.2-8.2169.7-70.9-87-3700112.8N643N643-Q645 PolarHBondContact O-N 3.28Å; N643-Q645 VanDerWaalsContact O-N 3.09Å
646D47.1Very low66.2Low99 Ų9991 Ų9153%0.52944%0.436SS..SBendtrans-111.977.1167.8-97.1-15.4000107.2N643 K648 H649 K722N643-D646 CarbonylContact O-C 3.51Å; N643-D646 PolarHBondContact O-N 3.27Å; D646-K648 PolarHBondContact O-N 3.04Å; D646-H649 PolarHBondContact O-N 3.22Å; D646-K722 IonicContact OD2-NZ 2.67Å
647R46.3Very low68.3Low241 Ų24192.7 Ų92.791%0.90944%0.442SS*.THydrogen-bonded Turntrans-57.813.9-167.9-74.9-158.8-173.1-166.18117.7
648K63.9Low70.6Confident212 Ų21295.3 Ų95.392%0.92245%0.453SS*.THydrogen-bonded Turntrans-137.313.3176.6-62.7-169.6178.2-175.80115.5D646D646-K648 PolarHBondContact O-N 3.04Å
649H76.2Confident72.8Confident80 Ų8093.5 Ų93.537%0.3744%0.437SS..  trans-127.587.3-178.5-168.458.1000116D646 R651D646-H649 PolarHBondContact O-N 3.22Å; H649-R651 PolarHBondContact O-N 2.97Å
650V85.5Confident74.8Confident52 Ų5289.6 Ų89.632%0.31542%0.417SS..PPolyproline II helixtrans-68.6126.7167.1-165.70000110.3F714 W717V650-F714 HydrophobicContact CG1-CD1 4Å; V650-F714 HydrophobicContact CG1-CD2 3.66Å; V650-F714 HydrophobicContact CG1-CE1 3.95Å; V650-F714 HydrophobicContact CG1-CE2 3.62Å; V650-F714 HydrophobicContact CG1-CG 3.87Å; V650-F714 HydrophobicContact CG1-CZ 3.76Å; V650-F714 HydrophobicContact CG2-CD1 3.89Å; V650-F714 HydrophobicContact CG2-CE1 3.92Å; V650-F714 HydrophobicContact CG2-CG 4.43Å; V650-W717 PolarHBondContact O-NE1 3.43Å; V650-W717 VanDerWaalsContact O-NE1 3.16Å
651R89.7Confident76.9Confident99 Ų9987.2 Ų87.237%0.37441%0.406SS..PPolyproline II helixtrans-70.5160.6175.8-69.9-166.5-177.4162.514.6111.9I639 N643 H649 H710I639-R651 VanDerWaalsContact O-CZ 3.23Å; I639-R651 PolarHBondContact O-NH1 3.18Å; I639-R651 PolarHBondContact O-NH2 2.64Å; N643-R651 VanDerWaalsContact CG-NE 3.32Å; N643-R651 PolarHBondContact ND2-NE 2.96Å; N643-R651 VanDerWaalsContact ND2-NE 3.16Å; N643-R651 PolarHBondContact ND2-NH2 3.08Å; N643-R651 VanDerWaalsContact ND2-NH2 3.14Å; N643-R651 PolarHBondContact OD1-NE 2.9Å; N643-R651 PolarHBondContact OD1-NH2 3.24Å; H649-R651 PolarHBondContact O-N 2.97Å; R651-H710 PolarHBondContact O-CE1 3.06Å
652R92.2Very high79Confident144 Ų14487.1 Ų87.154%0.54340%0.404SS..PPolyproline II helixtrans-64153.2168.8-57.2179.7-179.1-93.517.2111W717 W719R652-W717 HydrophobicContact CB-CH2 4.22Å; R652-W717 HydrophobicContact CB-CZ2 4.25Å; R652-W717 HydrophobicContact CG-CH2 3.97Å; R652-W717 HydrophobicContact CG-CZ2 3.93Å; R652-W719 VanDerWaalsContact NH1-CG 3.31Å; R652-W719 VanDerWaalsContact NH2-CZ2 3.25Å
653P95.2Very high81Confident36 Ų3683.8 Ų83.823%0.23439%0.388CS..PPolyproline II helixtrans-65.7157.6165.429.3-32.9000111.1L706 K707 H710P653-L706 VanDerWaalsContact CB-O 3.31Å; P653-L706 WeakPolarHBondContact CB-O 3.3Å; P653-K707 HydrophobicContact CB-CB 4.4Å; P653-K707 HydrophobicContact CG-CB 4.33Å; P653-K707 HydrophobicContact CG-CG 4.4Å; P653-H710 HydrophobicContact CB-CB 3.88Å; P653-H710 HydrophobicContact CG-CB 4.3Å
654M94.5Very high83.3Confident55 Ų5584.7 Ų84.727%0.27139%0.391SS..PPolyproline II helixtrans-76.5147-179.7-152.3174.5-60.500110.7I658 I659 M662 L706M654-I658 HydrophobicContact CG-CB 3.69Å; M654-I658 HydrophobicContact CG-CG2 3.52Å; M654-I658 HydrophobicContact SD-CB 4.38Å; M654-I658 HydrophobicContact SD-CG2 3.84Å; M654-I659 HydrophobicContact CB-CG1 4.05Å; M654-I659 HydrophobicContact CG-CG1 3.74Å; M654-I659 HydrophobicContact SD-CB 4.22Å; M654-I659 HydrophobicContact SD-CG1 3.57Å; M654-I659 VanDerWaalsContact SD-CG1 3.57Å; M654-M662 HydrophobicContact CE-CE 3.92Å; M654-M662 HydrophobicContact CE-SD 3.84Å; M654-M662 HydrophobicContact SD-CE 3.89Å; M654-M662 HydrophobicContact SD-SD 4.12Å; M654-L706 HydrophobicContact CB-CD1 4.08Å
655N97.1Very high85.7Confident90 Ų9082.1 Ų82.148%0.48137%0.373SS..  trans-104.9163.5171.98030000110.8F657 I658 I659N655-F657 VanDerWaalsContact C-N 3.33Å; N655-F657 PolarHBondContact O-N 3.21Å; N655-F657 PolarHBondContact OD1-N 2.81Å; N655-I658 WeakPolarHBondContact O-CA 3.5Å; N655-I658 PolarHBondContact O-N 3.31Å; N655-I658 WeakPolarHBondContact OD1-CG1 3.38Å; N655-I658 PolarHBondContact OD1-N 2.99Å; N655-I659 WeakPolarHBondContact O-CG1 3.16Å; N655-I659 PolarHBondContact O-N 3.26Å
656A97.1Very high88Confident12 Ų1277 Ų7710%0.09936%0.357CS..Hα-helixtrans-50.1-47.3-174.400000113.9I658 I659 F660 W688 Y699 Q700 A703A656-I658 PolarHBondContact O-N 2.82Å; A656-I659 PolarHBondContact O-N 3.27Å; A656-F660 WeakPolarHBondContact O-CB 3.48Å; A656-F660 PolarHBondContact O-N 2.88Å; A656-W688 HydrophobicContact CB-CH2 3.65Å; A656-W688 HydrophobicContact CB-CZ2 4.07Å; A656-Y699 VanDerWaalsContact CA-O 3.27Å; A656-Y699 WeakPolarHBondContact CA-O 3.4Å; A656-Y699 WeakPolarHBondContact CB-O 3.34Å; A656-Q700 HydrophobicContact CB-CG 4.01Å; A656-A703 HydrophobicContact CB-CB 4.07Å
657F97.6Very high90.2Very high61 Ų6174.9 Ų74.927%0.26834%0.344SS..Hα-helixtrans-64-38.4177.2174-111.6000112.7N655 F660 S661 W688N655-F657 VanDerWaalsContact C-N 3.33Å; N655-F657 PolarHBondContact O-N 3.21Å; N655-F657 PolarHBondContact OD1-N 2.81Å; F657-F660 HydrophobicContact CD2-CD1 4.29Å; F657-F660 HydrophobicContact CE2-CD1 4.4Å; F657-S661 WeakPolarHBondContact O-CB 3.39Å; F657-S661 PolarHBondContact O-N 2.91Å; F657-S661 PolarHBondContact O-OG 3.27Å; F657-W688 HydrophobicContact CB-CD2 4.32Å; F657-W688 HydrophobicContact CD2-CB 3.64Å; F657-W688 AromaticContact CD2-CD1 3.8Å; F657-W688 AromaticContact CD2-CD2 3.9Å; F657-W688 HydrophobicContact CD2-CD2 3.9Å; F657-W688 AromaticContact CD2-CG 3.46Å; F657-W688 HydrophobicContact CD2-CG 3.46Å; F657-W688 VanDerWaalsContact CD2-CG 3.46Å; F657-W688 HydrophobicContact CE2-CB 3.78Å; F657-W688 HydrophobicContact CE2-CG 4.11Å; F657-W688 HydrophobicContact CG-CG 4.42Å
658I96.8Very high92.6Very high78 Ų7863.4 Ų63.440%0.430%0.301SS..Hα-helixtrans-68.3-39.1177.2-58.3-61.6000110.8M654 N655 A656 S661 M662M654-I658 HydrophobicContact CG-CB 3.69Å; M654-I658 HydrophobicContact CG-CG2 3.52Å; M654-I658 HydrophobicContact SD-CB 4.38Å; M654-I658 HydrophobicContact SD-CG2 3.84Å; N655-I658 WeakPolarHBondContact O-CA 3.5Å; N655-I658 PolarHBondContact O-N 3.31Å; N655-I658 WeakPolarHBondContact OD1-CG1 3.38Å; N655-I658 PolarHBondContact OD1-N 2.99Å; A656-I658 PolarHBondContact O-N 2.82Å; I658-S661 WeakPolarHBondContact CA-OG 3.36Å; I658-S661 PolarHBondContact O-N 3.02Å; I658-S661 PolarHBondContact O-OG 3.01Å; I658-M662 WeakPolarHBondContact O-CB 3.37Å; I658-M662 PolarHBondContact O-N 3.44Å
659I96.6Very high94Very high5 Ų556.9 Ų56.93%0.02627%0.273CS..Hα-helixtrans-60.4-52.9173.4-57.6165.9000110.1M654 N655 A656 S661 M662 R663 Y699 L702 A703 L706M654-I659 HydrophobicContact CB-CG1 4.05Å; M654-I659 HydrophobicContact CG-CG1 3.74Å; M654-I659 HydrophobicContact SD-CB 4.22Å; M654-I659 HydrophobicContact SD-CG1 3.57Å; M654-I659 VanDerWaalsContact SD-CG1 3.57Å; N655-I659 WeakPolarHBondContact O-CG1 3.16Å; N655-I659 PolarHBondContact O-N 3.26Å; A656-I659 PolarHBondContact O-N 3.27Å; I659-S661 VanDerWaalsContact C-N 3.33Å; I659-S661 PolarHBondContact O-N 2.75Å; I659-M662 WeakPolarHBondContact O-CB 3.33Å; I659-M662 PolarHBondContact O-N 3.03Å; I659-R663 PolarHBondContact O-N 3.18Å; I659-Y699 HydrophobicContact CB-CD1 4.3Å; I659-Y699 HydrophobicContact CG2-CD1 3.87Å; I659-Y699 HydrophobicContact CG2-CE1 4.37Å; I659-L702 HydrophobicContact CD1-CB 4.23Å; I659-L702 HydrophobicContact CD1-CD2 4.5Å; I659-L702 HydrophobicContact CD1-CG 4.13Å; I659-L702 HydrophobicContact CG2-CD2 4.08Å; I659-A703 HydrophobicContact CD1-CB 3.84Å; I659-L706 HydrophobicContact CD1-CD1 3.9Å; I659-L706 HydrophobicContact CG1-CD1 4.28Å
660F98Very high94.9Very high4 Ų461.1 Ų61.12%0.01829%0.286CS..Hα-helixtrans-53.9-48.8175.5168.6-93.3000111.9A656 F657 M662 R663 H664 L684 W687 W688 L691 Y699A656-F660 WeakPolarHBondContact O-CB 3.48Å; A656-F660 PolarHBondContact O-N 2.88Å; F657-F660 HydrophobicContact CD2-CD1 4.29Å; F657-F660 HydrophobicContact CE2-CD1 4.4Å; F660-M662 PolarHBondContact O-N 2.78Å; F660-R663 PolarHBondContact O-N 3.31Å; F660-H664 AromaticContact CD2-CE1 3.41Å; F660-H664 VanDerWaalsContact CD2-CE1 3.41Å; F660-H664 WeakPolarHBondContact CD2-CE1 3.46Å; F660-H664 AromaticContact CD2-ND1 3.23Å; F660-H664 WeakPolarHBondContact CD2-ND1 3.41Å; F660-H664 AromaticContact CE2-CE1 3.24Å; F660-H664 WeakPolarHBondContact CE2-CE1 3.47Å; F660-H664 AromaticContact CE2-CG 3.81Å; F660-H664 AromaticContact CE2-ND1 3.11Å; F660-H664 WeakPolarHBondContact CE2-ND1 3.28Å; F660-H664 AromaticContact CE2-NE2 4Å; F660-H664 AromaticContact CG-ND1 3.83Å; F660-H664 HydrophobicContact CZ-CB 4.33Å; F660-H664 AromaticContact CZ-CG 3.93Å; F660-H664 AromaticContact CZ-ND1 3.63Å; F660-H664 PolarHBondContact O-N 3.06Å; F660-H664 VanDerWaalsContact O-N 3.08Å; F660-H664 PolarHBondContact O-ND1 2.98Å; F660-L684 HydrophobicContact CE1-CD2 4.25Å; F660-L684 WeakPolarHBondContact CE1-O 3.31Å; F660-W687 HydrophobicContact CE1-CB 4.26Å; F660-W687 HydrophobicContact CZ-CB 3.89Å; F660-W687 HydrophobicContact CZ-CE3 4.42Å; F660-W688 HydrophobicContact CB-CE3 3.62Å; F660-W688 HydrophobicContact CB-CZ3 3.75Å; F660-W688 HydrophobicContact CD1-CB 3.99Å; F660-W688 HydrophobicContact CD1-CD2 4.48Å; F660-W688 AromaticContact CD1-CE3 3.85Å; F660-W688 HydrophobicContact CD1-CE3 3.85Å; F660-W688 AromaticContact CD2-CE3 3.98Å; F660-W688 HydrophobicContact CD2-CE3 3.98Å; F660-W688 HydrophobicContact CD2-CZ3 4.41Å; F660-W688 HydrophobicContact CE1-CB 3.91Å; F660-W688 AromaticContact CG-CE3 3.52Å; F660-W688 HydrophobicContact CG-CE3 3.52Å; F660-W688 HydrophobicContact CG-CZ3 4.08Å; F660-L691 HydrophobicContact CD2-CD1 3.82Å; F660-L691 HydrophobicContact CE2-CD1 3.61Å; F660-L691 HydrophobicContact CE2-CG 4.43Å; F660-L691 HydrophobicContact CZ-CD1 4.34Å; F660-Y699 HydrophobicContact CB-CD1 3.95Å; F660-Y699 HydrophobicContact CB-CD2 4.5Å; F660-Y699 HydrophobicContact CB-CE1 4.2Å; F660-Y699 HydrophobicContact CB-CG 4.13Å; F660-Y699 HydrophobicContact CD2-CD2 4.39Å; F660-Y699 HydrophobicContact CD2-CE2 4.02Å
661S97.1Very high95.3Very high16 Ų1662.4 Ų62.411%0.11229%0.291CS..Hα-helixtrans-63.4-25.3179.180.70000112.5F657 I658 I659 R665F657-S661 WeakPolarHBondContact O-CB 3.39Å; F657-S661 PolarHBondContact O-N 2.91Å; F657-S661 PolarHBondContact O-OG 3.27Å; I658-S661 WeakPolarHBondContact CA-OG 3.36Å; I658-S661 PolarHBondContact O-N 3.02Å; I658-S661 PolarHBondContact O-OG 3.01Å; I659-S661 VanDerWaalsContact C-N 3.33Å; I659-S661 PolarHBondContact O-N 2.75Å; S661-R665 WeakPolarHBondContact O-CB 3.45Å; S661-R665 PolarHBondContact O-N 3.36Å
662M95Very high95.5Very high79 Ų7961.5 Ų61.539%0.38929%0.288SS..Hα-helixtrans-78-37.6179.6-172.2171.870.500112.2L636 M654 I658 I659 F660L636-M662 HydrophobicContact CD1-CE 3.72Å; L636-M662 HydrophobicContact CD1-SD 3.36Å; L636-M662 WeakPolarHBondContact CD1-SD 3.12Å; L636-M662 HydrophobicContact CD2-CE 4.3Å; M654-M662 HydrophobicContact CE-CE 3.92Å; M654-M662 HydrophobicContact CE-SD 3.84Å; M654-M662 HydrophobicContact SD-CE 3.89Å; M654-M662 HydrophobicContact SD-SD 4.12Å; I658-M662 WeakPolarHBondContact O-CB 3.37Å; I658-M662 PolarHBondContact O-N 3.44Å; I659-M662 WeakPolarHBondContact O-CB 3.33Å; I659-M662 PolarHBondContact O-N 3.03Å; F660-M662 PolarHBondContact O-N 2.78Å
663R95.5Very high95.5Very high75 Ų7558.7 Ų58.728%0.28329%0.288SS..Hα-helixtrans-63.9-55.6170.8-157.7-179.4-163156.710.8109.3I659 F660 S666 Y699 E851 N852I659-R663 PolarHBondContact O-N 3.18Å; F660-R663 PolarHBondContact O-N 3.31Å; R663-S666 PolarHBondContact O-OG 2.81Å; R663-S666 VanDerWaalsContact O-OG 3.09Å; R663-Y699 WeakPolarHBondContact CD-OH 3.14Å; R663-Y699 PolarHBondContact NH1-OH 3.49Å; R663-Y699 VanDerWaalsContact NH1-OH 3.16Å; R663-E851 IonicContact CZ-OE2 2.8Å; R663-E851 IonicContact NH1-OE2 2.68Å; R663-E851 PolarHBondContact NH1-OE2 2.84Å; R663-E851 IonicContact NH2-OE2 3.72Å; R663-N852 PolarHBondContact NH2-OD1 2.8Å
664H95.7Very high95.4Very high48 Ų4863.1 Ų63.122%0.22231%0.31CS..Hα-helixtrans-85.9-12.6-166.7-6195.3000116.5F660 S666 E667 V668 L684 W687 Y699F660-H664 AromaticContact CD2-CE1 3.41Å; F660-H664 VanDerWaalsContact CD2-CE1 3.41Å; F660-H664 WeakPolarHBondContact CD2-CE1 3.46Å; F660-H664 AromaticContact CD2-ND1 3.23Å; F660-H664 WeakPolarHBondContact CD2-ND1 3.41Å; F660-H664 AromaticContact CE2-CE1 3.24Å; F660-H664 WeakPolarHBondContact CE2-CE1 3.47Å; F660-H664 AromaticContact CE2-CG 3.81Å; F660-H664 AromaticContact CE2-ND1 3.11Å; F660-H664 WeakPolarHBondContact CE2-ND1 3.28Å; F660-H664 AromaticContact CE2-NE2 4Å; F660-H664 AromaticContact CG-ND1 3.83Å; F660-H664 HydrophobicContact CZ-CB 4.33Å; F660-H664 AromaticContact CZ-CG 3.93Å; F660-H664 AromaticContact CZ-ND1 3.63Å; F660-H664 PolarHBondContact O-N 3.06Å; F660-H664 VanDerWaalsContact O-N 3.08Å; F660-H664 PolarHBondContact O-ND1 2.98Å; H664-S666 PolarHBondContact O-N 3.35Å; H664-E667 WeakPolarHBondContact O-CB 3.35Å; H664-E667 PolarHBondContact O-N 3.49Å; H664-E667 VanDerWaalsContact O-N 3.08Å; H664-V668 PolarHBondContact O-N 3.03Å; H664-L684 HydrophobicContact CB-CD2 3.51Å; H664-W687 HydrophobicContact CB-CE3 4.22Å; H664-W687 HydrophobicContact CB-CZ3 4.1Å; H664-Y699 PolarHBondContact CE1-OH 2.94Å
665R95.7Very high95.2Very high55 Ų5566.2 Ų66.221%0.20832%0.322CS..Hα-helixtrans-65.7-25.9179-176.5174.2-146.290.64.5113.7S661 E667 H669 N677 S681 L684S661-R665 WeakPolarHBondContact O-CB 3.45Å; S661-R665 PolarHBondContact O-N 3.36Å; R665-E667 VanDerWaalsContact C-N 3.34Å; R665-H669 WeakPolarHBondContact O-CB 3.03Å; R665-H669 VanDerWaalsContact O-CG 3.25Å; R665-H669 PolarHBondContact O-N 2.93Å; R665-H669 VanDerWaalsContact O-N 3.12Å; R665-N677 PolarHBondContact NE-OD1 2.71Å; R665-N677 PolarHBondContact NH2-O 3.37Å; R665-N677 PolarHBondContact NH2-OD1 3.16Å; R665-S681 PolarHBondContact NH1-OG 3.14Å; R665-S681 PolarHBondContact NH2-OG 3.31Å; R665-L684 HydrophobicContact CB-CD1 3.79Å; R665-L684 HydrophobicContact CG-CD1 4.18Å
666S94.2Very high95Very high76 Ų7666.2 Ų66.253%0.53132%0.322SS..Hα-helixtrans-63-44.6171.256.10000110.8R663 H664 H669 R670R663-S666 PolarHBondContact O-OG 2.81Å; R663-S666 VanDerWaalsContact O-OG 3.09Å; H664-S666 PolarHBondContact O-N 3.35Å; S666-H669 CarbonylContact O-C 3.5Å; S666-H669 PolarHBondContact O-N 2.61Å; S666-R670 PolarHBondContact O-N 2.79Å
667E95.1Very high94.7Very high55 Ų5570.3 Ų70.326%0.25734%0.342SS..Hα-helixtrans-68.8-43.9178.9-174.852.5-151.300113H664 R665 H669 R670 L671 W687H664-E667 WeakPolarHBondContact O-CB 3.35Å; H664-E667 PolarHBondContact O-N 3.49Å; H664-E667 VanDerWaalsContact O-N 3.08Å; R665-E667 VanDerWaalsContact C-N 3.34Å; E667-H669 PolarHBondContact O-N 3.35Å; E667-R670 VanDerWaalsContact CD-NE 3.29Å; E667-R670 WeakPolarHBondContact O-CA 3.43Å; E667-R670 VanDerWaalsContact O-CB 3.31Å; E667-R670 WeakPolarHBondContact O-CB 3.46Å; E667-R670 PolarHBondContact O-N 3.01Å; E667-R670 IonicContact OE1-CZ 2.62Å; E667-R670 VanDerWaalsContact OE1-CZ 3.24Å; E667-R670 IonicContact OE1-NE 3.7Å; E667-R670 PolarHBondContact OE1-NE 3.03Å; E667-R670 IonicContact OE1-NH2 2.8Å; E667-R670 PolarHBondContact OE1-NH2 3.16Å; E667-R670 WeakPolarHBondContact OE2-CD 3.49Å; E667-R670 IonicContact OE2-CZ 3.24Å; E667-R670 IonicContact OE2-NE 3Å; E667-R670 PolarHBondContact OE2-NE 3.2Å; E667-R670 IonicContact OE2-NH2 2.67Å; E667-L671 HydrophobicContact CG-CD1 4.33Å; E667-L671 PolarHBondContact O-N 2.97Å; E667-L671 WeakPolarHBondContact OE1-CG 3.14Å; E667-W687 HydrophobicContact CG-CH2 4.13Å; E667-W687 HydrophobicContact CG-CZ3 4.43Å
668V95.6Very high94.6Very high0 Ų076.7 Ų76.70%037%0.365CS..Hα-helixtrans-61.9-31173.1173.40000112H664 Y672 A680 I683 L684 W687H664-V668 PolarHBondContact O-N 3.03Å; V668-Y672 HydrophobicContact CG1-CD2 4.1Å; V668-Y672 WeakPolarHBondContact O-CA 3.32Å; V668-Y672 VanDerWaalsContact O-CB 3.28Å; V668-Y672 WeakPolarHBondContact O-CB 3.18Å; V668-Y672 WeakPolarHBondContact O-CD2 3.49Å; V668-Y672 PolarHBondContact O-N 3.2Å; V668-A680 HydrophobicContact CG1-CB 3.78Å; V668-I683 HydrophobicContact CG1-CB 4.12Å; V668-I683 HydrophobicContact CG1-CD1 4.19Å; V668-I683 HydrophobicContact CG1-CG2 4.06Å; V668-I683 HydrophobicContact CG2-CG2 3.93Å; V668-L684 HydrophobicContact CB-CD2 4.4Å; V668-L684 HydrophobicContact CB-CG 4.41Å; V668-L684 HydrophobicContact CG2-CD2 3.57Å; V668-L684 HydrophobicContact CG2-CG 3.86Å; V668-W687 HydrophobicContact CG2-CD2 4.35Å; V668-W687 HydrophobicContact CG2-CE3 3.92Å; V668-W687 HydrophobicContact CG2-CH2 3.45Å; V668-W687 VanDerWaalsContact CG2-CH2 3.45Å; V668-W687 HydrophobicContact CG2-CZ2 3.89Å; V668-W687 HydrophobicContact CG2-CZ3 3.47Å; V668-W687 VanDerWaalsContact CG2-CZ3 3.47Å
669H94Very high94.5Very high74 Ų7475.4 Ų75.434%0.34336%0.36SS..Hα-helixtrans-80.7-12.5170.9-66.8170.1000114.1R665 S666 E667 P673R665-H669 WeakPolarHBondContact O-CB 3.03Å; R665-H669 VanDerWaalsContact O-CG 3.25Å; R665-H669 PolarHBondContact O-N 2.93Å; R665-H669 VanDerWaalsContact O-N 3.12Å; S666-H669 CarbonylContact O-C 3.5Å; S666-H669 PolarHBondContact O-N 2.61Å; E667-H669 PolarHBondContact O-N 3.35Å; H669-P673 VanDerWaalsContact O-CA 3.3Å; H669-P673 WeakPolarHBondContact O-CA 3.48Å
670R94.9Very high94.4Very high169 Ų16975.2 Ų75.264%0.63836%0.36SS*.Hα-helixtrans-80.5-50171.3-171.3-173.873.296.6-1.1110.4S666 E667S666-R670 PolarHBondContact O-N 2.79Å; E667-R670 VanDerWaalsContact CD-NE 3.29Å; E667-R670 WeakPolarHBondContact O-CA 3.43Å; E667-R670 VanDerWaalsContact O-CB 3.31Å; E667-R670 WeakPolarHBondContact O-CB 3.46Å; E667-R670 PolarHBondContact O-N 3.01Å; E667-R670 IonicContact OE1-CZ 2.62Å; E667-R670 VanDerWaalsContact OE1-CZ 3.24Å; E667-R670 IonicContact OE1-NE 3.7Å; E667-R670 PolarHBondContact OE1-NE 3.03Å; E667-R670 IonicContact OE1-NH2 2.8Å; E667-R670 PolarHBondContact OE1-NH2 3.16Å; E667-R670 WeakPolarHBondContact OE2-CD 3.49Å; E667-R670 IonicContact OE2-CZ 3.24Å; E667-R670 IonicContact OE2-NE 3Å; E667-R670 PolarHBondContact OE2-NE 3.2Å; E667-R670 IonicContact OE2-NH2 2.67Å
671L94.5Very high94.3Very high79 Ų7977.4 Ų77.441%0.41438%0.375SS..Hα-helixtrans-70.2-36.4178-61.4174.8000112.5E667 P673 W687E667-L671 HydrophobicContact CG-CD1 4.33Å; E667-L671 PolarHBondContact O-N 2.97Å; E667-L671 WeakPolarHBondContact OE1-CG 3.14Å; L671-P673 VanDerWaalsContact C-CD 3.42Å; L671-P673 WeakPolarHBondContact O-CD 3.26Å; L671-W687 HydrophobicContact CD1-CH2 3.94Å; L671-W687 HydrophobicContact CD1-CZ2 4.01Å
672Y93.9Very high94.3Very high80 Ų8082.2 Ų82.231%0.31440%0.396SS..SBendtrans-125.458.2-173.6-52.1-78.2000112.7V668 N674 K675 I683V668-Y672 HydrophobicContact CG1-CD2 4.1Å; V668-Y672 WeakPolarHBondContact O-CA 3.32Å; V668-Y672 VanDerWaalsContact O-CB 3.28Å; V668-Y672 WeakPolarHBondContact O-CB 3.18Å; V668-Y672 WeakPolarHBondContact O-CD2 3.49Å; V668-Y672 PolarHBondContact O-N 3.2Å; Y672-N674 PolarHBondContact O-N 3.03Å; Y672-N674 VanDerWaalsContact O-N 3.08Å; Y672-K675 PolarHBondContact O-N 2.85Å; Y672-I683 HydrophobicContact CD1-CD1 4.45Å; Y672-I683 HydrophobicContact CD2-CD1 3.74Å; Y672-I683 HydrophobicContact CE2-CD1 3.95Å; Y672-I683 HydrophobicContact CE2-CG2 4.13Å; Y672-I683 HydrophobicContact CG-CD1 4Å
673P92.4Very high94.4Very high85 Ų8579.8 Ų79.855%0.55238%0.384SS*.THydrogen-bonded Turntrans-64.8-21.4-16526.5-36.4000115.2H669 L671H669-P673 VanDerWaalsContact O-CA 3.3Å; H669-P673 WeakPolarHBondContact O-CA 3.48Å; L671-P673 VanDerWaalsContact C-CD 3.42Å; L671-P673 WeakPolarHBondContact O-CD 3.26Å
674N91.5Very high94.5Very high130 Ų13076.2 Ų76.270%0.69537%0.371SS*.THydrogen-bonded Turntrans-991.2179.5-67.1-25000113.5Y672Y672-N674 PolarHBondContact O-N 3.03Å; Y672-N674 VanDerWaalsContact O-N 3.08Å
675K90.6Very high94.6Very high120 Ų12074.5 Ų74.552%0.52237%0.366SS..SBendtrans-85.4148.5178.2-58.6-60.8-173.9-177.60111.1Y672 V679Y672-K675 PolarHBondContact O-N 2.85Å; K675-V679 HydrophobicContact CB-CB 4.17Å; K675-V679 HydrophobicContact CB-CG1 3.96Å; K675-V679 HydrophobicContact CD-CG1 4.19Å; K675-V679 HydrophobicContact CG-CG1 4.08Å
676D92.4Very high94.7Very high89 Ų8975.2 Ų75.248%0.47637%0.374SS..  trans-79.1171.2-17897.3-50.8000112.5R678 V679 A680D676-R678 VanDerWaalsContact CG-N 3.28Å; D676-R678 PolarHBondContact O-N 3.09Å; D676-R678 WeakPolarHBondContact OD1-CB 3.49Å; D676-R678 PolarHBondContact OD1-N 2.84Å; D676-R678 VanDerWaalsContact OD1-N 3.15Å; D676-R678 VanDerWaalsContact OD2-CB 3.26Å; D676-R678 WeakPolarHBondContact OD2-CB 3.41Å; D676-R678 PolarHBondContact OD2-N 2.87Å; D676-V679 PolarHBondContact O-N 2.85Å; D676-V679 WeakPolarHBondContact OD1-CG2 3.18Å; D676-V679 PolarHBondContact OD1-N 3.33Å; D676-A680 WeakPolarHBondContact O-CB 3.33Å; D676-A680 PolarHBondContact O-N 3.48Å
677N92.7Very high94.9Very high98 Ų9874.4 Ų74.452%0.52436%0.36SS..Hα-helixtrans-66.5-17.4179.7-82.7-79.1000113.8R665 S681R665-N677 PolarHBondContact NE-OD1 2.71Å; R665-N677 PolarHBondContact NH2-O 3.37Å; R665-N677 PolarHBondContact NH2-OD1 3.16Å; N677-S681 WeakPolarHBondContact O-CB 3.46Å; N677-S681 PolarHBondContact O-N 3.29Å; N677-S681 PolarHBondContact O-OG 3.09Å
678R94Very high95Very high195 Ų19573.7 Ų73.774%0.73635%0.354SS*.Hα-helixtrans-75-53.8172177.3-175.6168.6-165.7-7110.4D676 S681 Q682D676-R678 VanDerWaalsContact CG-N 3.28Å; D676-R678 PolarHBondContact O-N 3.09Å; D676-R678 WeakPolarHBondContact OD1-CB 3.49Å; D676-R678 PolarHBondContact OD1-N 2.84Å; D676-R678 VanDerWaalsContact OD1-N 3.15Å; D676-R678 VanDerWaalsContact OD2-CB 3.26Å; D676-R678 WeakPolarHBondContact OD2-CB 3.41Å; D676-R678 PolarHBondContact OD2-N 2.87Å; R678-S681 PolarHBondContact O-N 2.76Å; R678-S681 VanDerWaalsContact O-N 3.09Å; R678-Q682 PolarHBondContact O-N 3.3Å
679V95.3Very high95Very high51 Ų5182.1 Ų82.131%0.30939%0.387SS..Hα-helixtrans-61.5-44.4178174.10000111K675 D676 S681 Q682 I683K675-V679 HydrophobicContact CB-CB 4.17Å; K675-V679 HydrophobicContact CB-CG1 3.96Å; K675-V679 HydrophobicContact CD-CG1 4.19Å; K675-V679 HydrophobicContact CG-CG1 4.08Å; D676-V679 PolarHBondContact O-N 2.85Å; D676-V679 WeakPolarHBondContact OD1-CG2 3.18Å; D676-V679 PolarHBondContact OD1-N 3.33Å; V679-S681 PolarHBondContact O-N 2.93Å; V679-Q682 WeakPolarHBondContact O-CA 3.38Å; V679-Q682 WeakPolarHBondContact O-CB 3.44Å; V679-Q682 PolarHBondContact O-N 2.86Å; V679-I683 HydrophobicContact CG1-CD1 3.96Å; V679-I683 HydrophobicContact CG1-CG1 4.45Å; V679-I683 WeakPolarHBondContact O-CG1 3.19Å; V679-I683 PolarHBondContact O-N 2.79Å
680A95Very high95.2Very high1 Ų185.5 Ų85.51%0.00840%0.403CS..Hα-helixtrans-59.8-30.5175.100000113V668 D676 L684V668-A680 HydrophobicContact CG1-CB 3.78Å; D676-A680 WeakPolarHBondContact O-CB 3.33Å; D676-A680 PolarHBondContact O-N 3.48Å; A680-L684 WeakPolarHBondContact O-CB 3.45Å; A680-L684 VanDerWaalsContact O-CD1 3.32Å; A680-L684 WeakPolarHBondContact O-CD1 3.42Å; A680-L684 WeakPolarHBondContact O-CG 3.36Å; A680-L684 PolarHBondContact O-N 2.92Å
681S96.1Very high95.2Very high50 Ų5079 Ų7935%0.3538%0.381SS..Hα-helixtrans-83.1-17175-49.90000113.7R665 N677 R678 V679 G685R665-S681 PolarHBondContact NH1-OG 3.14Å; R665-S681 PolarHBondContact NH2-OG 3.31Å; N677-S681 WeakPolarHBondContact O-CB 3.46Å; N677-S681 PolarHBondContact O-N 3.29Å; N677-S681 PolarHBondContact O-OG 3.09Å; R678-S681 PolarHBondContact O-N 2.76Å; R678-S681 VanDerWaalsContact O-N 3.09Å; V679-S681 PolarHBondContact O-N 2.93Å; S681-G685 PolarHBondContact O-N 3.34Å
682Q97.1Very high95.3Very high118 Ų11880.5 Ų80.555%0.55139%0.389SS*.Hα-helixtrans-74.7-52.5169.4-179174.8-24.900109.4R678 V679 L684 G685 D686R678-Q682 PolarHBondContact O-N 3.3Å; V679-Q682 WeakPolarHBondContact O-CA 3.38Å; V679-Q682 WeakPolarHBondContact O-CB 3.44Å; V679-Q682 PolarHBondContact O-N 2.86Å; Q682-L684 VanDerWaalsContact C-N 3.3Å; Q682-L684 PolarHBondContact O-N 3.26Å; Q682-G685 CarbonylContact O-C 3.1Å; Q682-G685 VanDerWaalsContact O-CA 3.26Å; Q682-G685 WeakPolarHBondContact O-CA 3.44Å; Q682-G685 PolarHBondContact O-N 2.97Å; Q682-D686 WeakPolarHBondContact CG-OD2 3.41Å; Q682-D686 VanDerWaalsContact O-CG 3.29Å; Q682-D686 PolarHBondContact O-N 2.73Å
683I96.8Very high95.4Very high27 Ų2780.7 Ų80.714%0.13841%0.407CS..Hα-helixtrans-53.4-46.2176.5-63166.7000111.3V668 Y672 V679 G685 D686 W687V668-I683 HydrophobicContact CG1-CB 4.12Å; V668-I683 HydrophobicContact CG1-CD1 4.19Å; V668-I683 HydrophobicContact CG1-CG2 4.06Å; V668-I683 HydrophobicContact CG2-CG2 3.93Å; Y672-I683 HydrophobicContact CD1-CD1 4.45Å; Y672-I683 HydrophobicContact CD2-CD1 3.74Å; Y672-I683 HydrophobicContact CE2-CD1 3.95Å; Y672-I683 HydrophobicContact CE2-CG2 4.13Å; Y672-I683 HydrophobicContact CG-CD1 4Å; V679-I683 HydrophobicContact CG1-CD1 3.96Å; V679-I683 HydrophobicContact CG1-CG1 4.45Å; V679-I683 WeakPolarHBondContact O-CG1 3.19Å; V679-I683 PolarHBondContact O-N 2.79Å; I683-G685 VanDerWaalsContact C-N 3.3Å; I683-G685 PolarHBondContact O-N 3.15Å; I683-D686 PolarHBondContact O-N 2.96Å; I683-W687 HydrophobicContact CG2-CD2 4.34Å; I683-W687 HydrophobicContact CG2-CZ2 4.16Å; I683-W687 PolarHBondContact O-N 3.34Å
684L97.5Very high95.6Very high0 Ų081.2 Ų81.20%041%0.413CS..Hα-helixtrans-63.5-33.5174.3-70.4167.2000113.2F660 H664 R665 V668 A680 Q682 W687 W688F660-L684 HydrophobicContact CE1-CD2 4.25Å; F660-L684 WeakPolarHBondContact CE1-O 3.31Å; H664-L684 HydrophobicContact CB-CD2 3.51Å; R665-L684 HydrophobicContact CB-CD1 3.79Å; R665-L684 HydrophobicContact CG-CD1 4.18Å; V668-L684 HydrophobicContact CB-CD2 4.4Å; V668-L684 HydrophobicContact CB-CG 4.41Å; V668-L684 HydrophobicContact CG2-CD2 3.57Å; V668-L684 HydrophobicContact CG2-CG 3.86Å; A680-L684 WeakPolarHBondContact O-CB 3.45Å; A680-L684 VanDerWaalsContact O-CD1 3.32Å; A680-L684 WeakPolarHBondContact O-CD1 3.42Å; A680-L684 WeakPolarHBondContact O-CG 3.36Å; A680-L684 PolarHBondContact O-N 2.92Å; Q682-L684 VanDerWaalsContact C-N 3.3Å; Q682-L684 PolarHBondContact O-N 3.26Å; L684-W687 HydrophobicContact CD2-CE3 4.18Å; L684-W688 VanDerWaalsContact O-CB 3.3Å; L684-W688 WeakPolarHBondContact O-CB 3.3Å; L684-W688 PolarHBondContact O-N 3.17Å
685G97.7Very high95.9Very high12 Ų1278.8 Ų78.812%0.12440%0.398CS..Hα-helixtrans-65.1-45.7172.900000111.4S681 Q682 I683 W688 Y689S681-G685 PolarHBondContact O-N 3.34Å; Q682-G685 CarbonylContact O-C 3.1Å; Q682-G685 VanDerWaalsContact O-CA 3.26Å; Q682-G685 WeakPolarHBondContact O-CA 3.44Å; Q682-G685 PolarHBondContact O-N 2.97Å; I683-G685 VanDerWaalsContact C-N 3.3Å; I683-G685 PolarHBondContact O-N 3.15Å; G685-W688 CarbonylContact O-C 3.57Å; G685-W688 PolarHBondContact O-N 2.97Å; G685-Y689 WeakPolarHBondContact O-CD2 3.39Å; G685-Y689 PolarHBondContact O-N 2.92Å
686D97.7Very high96.2Very high70 Ų7074.9 Ų74.937%0.37438%0.381SS..Hα-helixtrans-66-44.5-179.9-57.1-34.9000110.8Q682 I683 W688 Y689 H690Q682-D686 WeakPolarHBondContact CG-OD2 3.41Å; Q682-D686 VanDerWaalsContact O-CG 3.29Å; Q682-D686 PolarHBondContact O-N 2.73Å; I683-D686 PolarHBondContact O-N 2.96Å; D686-W688 PolarHBondContact O-N 2.74Å; D686-Y689 PolarHBondContact O-N 3.27Å; D686-Y689 VanDerWaalsContact O-N 3.08Å; D686-H690 PolarHBondContact O-N 2.99Å; D686-H690 VanDerWaalsContact O-N 3.16Å; D686-H690 PolarHBondContact O-ND1 3.24Å
687W97.3Very high96.4Very high60 Ų6072.7 Ų72.723%0.22738%0.375CS..Hα-helixtrans-56.4-49170.3-68.53.2000111.7F660 H664 E667 V668 L671 I683 L684 Y689 H690 L691F660-W687 HydrophobicContact CE1-CB 4.26Å; F660-W687 HydrophobicContact CZ-CB 3.89Å; F660-W687 HydrophobicContact CZ-CE3 4.42Å; H664-W687 HydrophobicContact CB-CE3 4.22Å; H664-W687 HydrophobicContact CB-CZ3 4.1Å; E667-W687 HydrophobicContact CG-CH2 4.13Å; E667-W687 HydrophobicContact CG-CZ3 4.43Å; V668-W687 HydrophobicContact CG2-CD2 4.35Å; V668-W687 HydrophobicContact CG2-CE3 3.92Å; V668-W687 HydrophobicContact CG2-CH2 3.45Å; V668-W687 VanDerWaalsContact CG2-CH2 3.45Å; V668-W687 HydrophobicContact CG2-CZ2 3.89Å; V668-W687 HydrophobicContact CG2-CZ3 3.47Å; V668-W687 VanDerWaalsContact CG2-CZ3 3.47Å; L671-W687 HydrophobicContact CD1-CH2 3.94Å; L671-W687 HydrophobicContact CD1-CZ2 4.01Å; I683-W687 HydrophobicContact CG2-CD2 4.34Å; I683-W687 HydrophobicContact CG2-CZ2 4.16Å; I683-W687 PolarHBondContact O-N 3.34Å; L684-W687 HydrophobicContact CD2-CE3 4.18Å; W687-Y689 PolarHBondContact O-N 2.75Å; W687-H690 PolarHBondContact O-N 3.07Å; W687-H690 VanDerWaalsContact O-N 3.11Å; W687-L691 PolarHBondContact O-N 2.97Å
688W97.9Very high96.6Very high39 Ų3970.1 Ų70.115%0.14836%0.364CS..Hα-helixtrans-61.3-28.2176.1175.7-96.6000112.9A656 F657 F660 L684 G685 D686 L691 K696 Y699A656-W688 HydrophobicContact CB-CH2 3.65Å; A656-W688 HydrophobicContact CB-CZ2 4.07Å; F657-W688 HydrophobicContact CB-CD2 4.32Å; F657-W688 HydrophobicContact CD2-CB 3.64Å; F657-W688 AromaticContact CD2-CD1 3.8Å; F657-W688 AromaticContact CD2-CD2 3.9Å; F657-W688 HydrophobicContact CD2-CD2 3.9Å; F657-W688 AromaticContact CD2-CG 3.46Å; F657-W688 HydrophobicContact CD2-CG 3.46Å; F657-W688 VanDerWaalsContact CD2-CG 3.46Å; F657-W688 HydrophobicContact CE2-CB 3.78Å; F657-W688 HydrophobicContact CE2-CG 4.11Å; F657-W688 HydrophobicContact CG-CG 4.42Å; F660-W688 HydrophobicContact CB-CE3 3.62Å; F660-W688 HydrophobicContact CB-CZ3 3.75Å; F660-W688 HydrophobicContact CD1-CB 3.99Å; F660-W688 HydrophobicContact CD1-CD2 4.48Å; F660-W688 AromaticContact CD1-CE3 3.85Å; F660-W688 HydrophobicContact CD1-CE3 3.85Å; F660-W688 AromaticContact CD2-CE3 3.98Å; F660-W688 HydrophobicContact CD2-CE3 3.98Å; F660-W688 HydrophobicContact CD2-CZ3 4.41Å; F660-W688 HydrophobicContact CE1-CB 3.91Å; F660-W688 AromaticContact CG-CE3 3.52Å; F660-W688 HydrophobicContact CG-CE3 3.52Å; F660-W688 HydrophobicContact CG-CZ3 4.08Å; L684-W688 VanDerWaalsContact O-CB 3.3Å; L684-W688 WeakPolarHBondContact O-CB 3.3Å; L684-W688 PolarHBondContact O-N 3.17Å; G685-W688 CarbonylContact O-C 3.57Å; G685-W688 PolarHBondContact O-N 2.97Å; D686-W688 PolarHBondContact O-N 2.74Å; W688-L691 HydrophobicContact CE3-CD1 3.98Å; W688-L691 HydrophobicContact CZ3-CD1 4.33Å; W688-K696 HydrophobicContact CH2-CB 4.2Å; W688-K696 HydrophobicContact CH2-CG 3.95Å; W688-K696 HydrophobicContact CZ2-CG 4.2Å; W688-K696 HydrophobicContact CZ3-CG 4.13Å; W688-K696 WeakPolarHBondContact O-CE 3.06Å; W688-K696 PolarHBondContact O-NZ 3.08Å; W688-Y699 HydrophobicContact CZ3-CD2 4.1Å; W688-Y699 HydrophobicContact CZ3-CG 4.11Å
689Y96.8Very high96.8Very high177 Ų17761.9 Ų61.969%0.69433%0.333SS*.Hα-helixtrans-70.4-41.5173.5-81.1-63.7000112.1G685 D686 W687 K696G685-Y689 WeakPolarHBondContact O-CD2 3.39Å; G685-Y689 PolarHBondContact O-N 2.92Å; D686-Y689 PolarHBondContact O-N 3.27Å; D686-Y689 VanDerWaalsContact O-N 3.08Å; W687-Y689 PolarHBondContact O-N 2.75Å; Y689-K696 PolarHBondContact O-NZ 3.09Å
690H96.8Very high96.9Very high146 Ų14663.4 Ų63.468%0.67634%0.337SS*.Hα-helixtrans-71.4-30.6-176.8-70.186.8000115.1D686 W687 N692D686-H690 PolarHBondContact O-N 2.99Å; D686-H690 VanDerWaalsContact O-N 3.16Å; D686-H690 PolarHBondContact O-ND1 3.24Å; W687-H690 PolarHBondContact O-N 3.07Å; W687-H690 VanDerWaalsContact O-N 3.11Å; H690-N692 PolarHBondContact O-N 2.68Å
691L96.1Very high96.9Very high32 Ų3266.8 Ų66.817%0.16835%0.352CS..SBendtrans-51.4140.2176.2-64.6-178.3000112.3F660 W687 W688 E695 K696F660-L691 HydrophobicContact CD2-CD1 3.82Å; F660-L691 HydrophobicContact CE2-CD1 3.61Å; F660-L691 HydrophobicContact CE2-CG 4.43Å; F660-L691 HydrophobicContact CZ-CD1 4.34Å; W687-L691 PolarHBondContact O-N 2.97Å; W688-L691 HydrophobicContact CE3-CD1 3.98Å; W688-L691 HydrophobicContact CZ3-CD1 4.33Å; L691-E695 HydrophobicContact CB-CB 4.06Å; L691-E695 HydrophobicContact CD2-CB 4.13Å; L691-E695 WeakPolarHBondContact CD2-OE1 3.24Å; L691-E695 HydrophobicContact CG-CB 4.47Å; L691-K696 HydrophobicContact CB-CD 4.32Å; L691-K696 HydrophobicContact CB-CG 3.87Å; L691-K696 HydrophobicContact CD1-CG 4.33Å; L691-K696 WeakPolarHBondContact O-CD 3.48Å; L691-K696 VanDerWaalsContact O-CE 3.29Å; L691-K696 WeakPolarHBondContact O-CE 3.49Å; L691-K696 PolarHBondContact O-NZ 3.22Å
692N96.6Very high96.9Very high110 Ų11065.1 Ų65.159%0.58834%0.339SS*.  trans-73172.2175.9-66.7-80.3000112.4H690 S694 E695 K696H690-N692 PolarHBondContact O-N 2.68Å; N692-S694 PolarHBondContact O-N 3.08Å; N692-E695 WeakPolarHBondContact CB-OE2 3.18Å; N692-E695 PolarHBondContact N-OE2 3.32Å; N692-E695 PolarHBondContact ND2-OE2 3.19Å; N692-E695 PolarHBondContact O-N 2.92Å; N692-K696 WeakPolarHBondContact O-CB 3.03Å; N692-K696 WeakPolarHBondContact O-CD 3.25Å; N692-K696 VanDerWaalsContact O-CG 3.29Å; N692-K696 WeakPolarHBondContact O-CG 3.2Å; N692-K696 PolarHBondContact O-N 3.15Å
693A96.3Very high96.9Very high84 Ų8460.2 Ų60.269%0.69432%0.319SS*.THydrogen-bonded Turntrans-59.9-35177.200000112.6A697A693-A697 PolarHBondContact O-N 3.22Å
694S96.2Very high96.9Very high97 Ų9765.2 Ų65.268%0.67834%0.336SS*.THydrogen-bonded Turntrans-65.6-54.6176.1-168.80000111.8N692 K696 A697 P698N692-S694 PolarHBondContact O-N 3.08Å; S694-K696 PolarHBondContact O-N 3.06Å; S694-K696 VanDerWaalsContact O-N 3.16Å; S694-A697 WeakPolarHBondContact O-CA 3.24Å; S694-A697 WeakPolarHBondContact O-CB 3.31Å; S694-A697 PolarHBondContact O-N 2.77Å; S694-P698 VanDerWaalsContact O-CD 3.3Å; S694-P698 WeakPolarHBondContact O-CD 3.11Å
695E96.3Very high96.9Very high79 Ų7966.8 Ų66.837%0.36934%0.343SS..THydrogen-bonded Turntrans-60-29.2177.2-62.6162.681.100112.9L691 N692 Y699L691-E695 HydrophobicContact CB-CB 4.06Å; L691-E695 HydrophobicContact CD2-CB 4.13Å; L691-E695 WeakPolarHBondContact CD2-OE1 3.24Å; L691-E695 HydrophobicContact CG-CB 4.47Å; N692-E695 WeakPolarHBondContact CB-OE2 3.18Å; N692-E695 PolarHBondContact N-OE2 3.32Å; N692-E695 PolarHBondContact ND2-OE2 3.19Å; N692-E695 PolarHBondContact O-N 2.92Å; E695-Y699 WeakPolarHBondContact O-CD2 3.19Å
696K97.2Very high96.7Very high37 Ų3767.3 Ų67.316%0.16134%0.343CS..Hα-helixtrans-77.5-15.7173.1-73.9166.4165.2141.90113.7W688 Y689 L691 N692 S694 Q700W688-K696 HydrophobicContact CH2-CB 4.2Å; W688-K696 HydrophobicContact CH2-CG 3.95Å; W688-K696 HydrophobicContact CZ2-CG 4.2Å; W688-K696 HydrophobicContact CZ3-CG 4.13Å; W688-K696 WeakPolarHBondContact O-CE 3.06Å; W688-K696 PolarHBondContact O-NZ 3.08Å; Y689-K696 PolarHBondContact O-NZ 3.09Å; L691-K696 HydrophobicContact CB-CD 4.32Å; L691-K696 HydrophobicContact CB-CG 3.87Å; L691-K696 HydrophobicContact CD1-CG 4.33Å; L691-K696 WeakPolarHBondContact O-CD 3.48Å; L691-K696 VanDerWaalsContact O-CE 3.29Å; L691-K696 WeakPolarHBondContact O-CE 3.49Å; L691-K696 PolarHBondContact O-NZ 3.22Å; N692-K696 WeakPolarHBondContact O-CB 3.03Å; N692-K696 WeakPolarHBondContact O-CD 3.25Å; N692-K696 VanDerWaalsContact O-CG 3.29Å; N692-K696 WeakPolarHBondContact O-CG 3.2Å; N692-K696 PolarHBondContact O-N 3.15Å; S694-K696 PolarHBondContact O-N 3.06Å; S694-K696 VanDerWaalsContact O-N 3.16Å; K696-Q700 WeakPolarHBondContact O-CB 3.31Å; K696-Q700 VanDerWaalsContact O-CG 3.23Å; K696-Q700 WeakPolarHBondContact O-CG 3.03Å; K696-Q700 PolarHBondContact O-N 3.37Å; K696-Q700 VanDerWaalsContact O-N 3.13Å; K696-Q700 PolarHBondContact O-NE2 2.72Å
697A97.1Very high96.6Very high43 Ų4369.5 Ų69.536%0.35535%0.349SS..Hα-helixtrans-65.2-49.1-175.600000114.2A693 S694 Y699 Q700 Q701A693-A697 PolarHBondContact O-N 3.22Å; S694-A697 WeakPolarHBondContact O-CA 3.24Å; S694-A697 WeakPolarHBondContact O-CB 3.31Å; S694-A697 PolarHBondContact O-N 2.77Å; A697-Y699 PolarHBondContact O-N 2.85Å; A697-Q700 CarbonylContact O-C 3.56Å; A697-Q700 WeakPolarHBondContact O-CA 3.37Å; A697-Q700 WeakPolarHBondContact O-CB 3.26Å; A697-Q700 PolarHBondContact O-N 2.84Å; A697-Q701 PolarHBondContact O-N 3Å
698P96.7Very high96.4Very high45 Ų4569 Ų6929%0.29236%0.358SS..Hα-helixtrans-60.6-45.517920-31.7000112.2S694 Q700 Q701 L702 E851S694-P698 VanDerWaalsContact O-CD 3.3Å; S694-P698 WeakPolarHBondContact O-CD 3.11Å; P698-Q700 PolarHBondContact O-N 2.79Å; P698-Q701 PolarHBondContact O-N 2.97Å; P698-Q701 VanDerWaalsContact O-N 3.08Å; P698-L702 PolarHBondContact O-N 2.79Å; P698-E851 WeakPolarHBondContact CB-OE1 2.87Å
699Y97.9Very high96.3Very high21 Ų2168.3 Ų68.38%0.08236%0.361CS..Hα-helixtrans-59.8-31.9174.3-60.9-68.7000113.1A656 I659 F660 R663 H664 W688 E695 A697 A703A656-Y699 VanDerWaalsContact CA-O 3.27Å; A656-Y699 WeakPolarHBondContact CA-O 3.4Å; A656-Y699 WeakPolarHBondContact CB-O 3.34Å; I659-Y699 HydrophobicContact CB-CD1 4.3Å; I659-Y699 HydrophobicContact CG2-CD1 3.87Å; I659-Y699 HydrophobicContact CG2-CE1 4.37Å; F660-Y699 HydrophobicContact CB-CD1 3.95Å; F660-Y699 HydrophobicContact CB-CD2 4.5Å; F660-Y699 HydrophobicContact CB-CE1 4.2Å; F660-Y699 HydrophobicContact CB-CG 4.13Å; F660-Y699 HydrophobicContact CD2-CD2 4.39Å; F660-Y699 HydrophobicContact CD2-CE2 4.02Å; R663-Y699 WeakPolarHBondContact CD-OH 3.14Å; R663-Y699 PolarHBondContact NH1-OH 3.49Å; R663-Y699 VanDerWaalsContact NH1-OH 3.16Å; H664-Y699 PolarHBondContact CE1-OH 2.94Å; W688-Y699 HydrophobicContact CZ3-CD2 4.1Å; W688-Y699 HydrophobicContact CZ3-CG 4.11Å; E695-Y699 WeakPolarHBondContact O-CD2 3.19Å; A697-Y699 PolarHBondContact O-N 2.85Å; Y699-A703 WeakPolarHBondContact O-CB 3.16Å; Y699-A703 PolarHBondContact O-N 2.96Å
700Q97Very high96.2Very high83 Ų8360.1 Ų60.139%0.38833%0.329SS..Hα-helixtrans-76-37.3173.6-75.9176.266.900112.9A656 K696 A697 P698 A703 R704A656-Q700 HydrophobicContact CB-CG 4.01Å; K696-Q700 WeakPolarHBondContact O-CB 3.31Å; K696-Q700 VanDerWaalsContact O-CG 3.23Å; K696-Q700 WeakPolarHBondContact O-CG 3.03Å; K696-Q700 PolarHBondContact O-N 3.37Å; K696-Q700 VanDerWaalsContact O-N 3.13Å; K696-Q700 PolarHBondContact O-NE2 2.72Å; A697-Q700 CarbonylContact O-C 3.56Å; A697-Q700 WeakPolarHBondContact O-CA 3.37Å; A697-Q700 WeakPolarHBondContact O-CB 3.26Å; A697-Q700 PolarHBondContact O-N 2.84Å; P698-Q700 PolarHBondContact O-N 2.79Å; Q700-A703 PolarHBondContact O-N 2.87Å; Q700-R704 WeakPolarHBondContact O-CG 3.22Å; Q700-R704 PolarHBondContact O-N 3.18Å
701Q96.9Very high96Very high73 Ų7357.3 Ų57.334%0.34132%0.315SS..Hα-helixtrans-66.1-52.3176.8178.157.41800111.2A697 P698 A703 R704 E705A697-Q701 PolarHBondContact O-N 3Å; P698-Q701 PolarHBondContact O-N 2.97Å; P698-Q701 VanDerWaalsContact O-N 3.08Å; Q701-A703 PolarHBondContact O-N 2.81Å; Q701-A703 VanDerWaalsContact O-N 3.17Å; Q701-R704 WeakPolarHBondContact O-CA 3.45Å; Q701-R704 VanDerWaalsContact O-CB 3.32Å; Q701-R704 WeakPolarHBondContact O-CB 3.24Å; Q701-R704 PolarHBondContact O-N 3.16Å; Q701-E705 VanDerWaalsContact CG-OE1 3.32Å; Q701-E705 WeakPolarHBondContact CG-OE1 3.28Å; Q701-E705 PolarHBondContact NE2-OE1 3.44Å; Q701-E705 PolarHBondContact O-N 2.87Å
702L95.2Very high95.9Very high15 Ų1563 Ų638%0.07934%0.34CS..Hα-helixtrans-61.4-28.5176.2-174.256.8000112I659 P698 L706 A844 L848I659-L702 HydrophobicContact CD1-CB 4.23Å; I659-L702 HydrophobicContact CD1-CD2 4.5Å; I659-L702 HydrophobicContact CD1-CG 4.13Å; I659-L702 HydrophobicContact CG2-CD2 4.08Å; P698-L702 PolarHBondContact O-N 2.79Å; L702-L706 HydrophobicContact CD1-CD1 4.4Å; L702-L706 HydrophobicContact CD1-CG 4.21Å; L702-L706 HydrophobicContact CG-CD1 4.13Å; L702-L706 HydrophobicContact CG-CG 4.4Å; L702-L706 WeakPolarHBondContact O-CB 3.48Å; L702-L706 VanDerWaalsContact O-CG 3.25Å; L702-L706 WeakPolarHBondContact O-CG 3.46Å; L702-L706 PolarHBondContact O-N 2.85Å; L702-A844 HydrophobicContact CD1-CB 4.36Å; L702-L848 HydrophobicContact CD2-CD2 4.38Å; L702-L848 HydrophobicContact CD2-CG 4.38Å
703A97.2Very high95.7Very high15 Ų1560.8 Ų60.812%0.12433%0.334CS..Hα-helixtrans-75.6-22.5170.800000114.6A656 I659 Y699 Q700 Q701 K707A656-A703 HydrophobicContact CB-CB 4.07Å; I659-A703 HydrophobicContact CD1-CB 3.84Å; Y699-A703 WeakPolarHBondContact O-CB 3.16Å; Y699-A703 PolarHBondContact O-N 2.96Å; Q700-A703 PolarHBondContact O-N 2.87Å; Q701-A703 PolarHBondContact O-N 2.81Å; Q701-A703 VanDerWaalsContact O-N 3.17Å; A703-K707 VanDerWaalsContact O-CB 3.22Å; A703-K707 WeakPolarHBondContact O-CB 3.13Å; A703-K707 PolarHBondContact O-N 2.8Å
704R96.7Very high95.5Very high132 Ų13260.4 Ų60.450%0.49832%0.317SS..Hα-helixtrans-74-46.2168.5-73-178.8-70.1-103.99.9110.1Q700 Q701 K707 A708Q700-R704 WeakPolarHBondContact O-CG 3.22Å; Q700-R704 PolarHBondContact O-N 3.18Å; Q701-R704 WeakPolarHBondContact O-CA 3.45Å; Q701-R704 VanDerWaalsContact O-CB 3.32Å; Q701-R704 WeakPolarHBondContact O-CB 3.24Å; Q701-R704 PolarHBondContact O-N 3.16Å; R704-K707 WeakPolarHBondContact O-CB 3.46Å; R704-K707 PolarHBondContact O-N 3.26Å; R704-A708 WeakPolarHBondContact O-CB 3.5Å; R704-A708 PolarHBondContact O-N 2.84Å
705E96.7Very high95.2Very high32 Ų3260.3 Ų60.315%0.1531%0.314CS..Hα-helixtrans-63.1-54178.4-68.3163.5-169.700112.2Q701 K707 A708 A709 H843Q701-E705 VanDerWaalsContact CG-OE1 3.32Å; Q701-E705 WeakPolarHBondContact CG-OE1 3.28Å; Q701-E705 PolarHBondContact NE2-OE1 3.44Å; Q701-E705 PolarHBondContact O-N 2.87Å; E705-K707 PolarHBondContact O-N 2.93Å; E705-A708 PolarHBondContact O-N 2.84Å; E705-A709 PolarHBondContact O-N 2.79Å; E705-H843 IonicContact OE2-CE1 3.39Å; E705-H843 PolarHBondContact OE2-CE1 2.84Å; E705-H843 IonicContact OE2-ND1 3.71Å
706L94.4Very high94.7Very high23 Ų2364.4 Ų64.412%0.1234%0.338CS..Hα-helixtrans-58.6-24.5176.5-76.2174.8000113P653 M654 I659 L702 H710 L840 A844P653-L706 VanDerWaalsContact CB-O 3.31Å; P653-L706 WeakPolarHBondContact CB-O 3.3Å; M654-L706 HydrophobicContact CB-CD1 4.08Å; I659-L706 HydrophobicContact CD1-CD1 3.9Å; I659-L706 HydrophobicContact CG1-CD1 4.28Å; L702-L706 HydrophobicContact CD1-CD1 4.4Å; L702-L706 HydrophobicContact CD1-CG 4.21Å; L702-L706 HydrophobicContact CG-CD1 4.13Å; L702-L706 HydrophobicContact CG-CG 4.4Å; L702-L706 WeakPolarHBondContact O-CB 3.48Å; L702-L706 VanDerWaalsContact O-CG 3.25Å; L702-L706 WeakPolarHBondContact O-CG 3.46Å; L702-L706 PolarHBondContact O-N 2.85Å; L706-H710 WeakPolarHBondContact O-CB 3.06Å; L706-H710 PolarHBondContact O-N 3.33Å; L706-L840 HydrophobicContact CD2-CD1 3.73Å; L706-L840 HydrophobicContact CD2-CG 3.84Å; L706-A844 HydrophobicContact CD2-CB 4Å
707K94.8Very high94.3Very high116 Ų11665 Ų6550%0.50434%0.34SS..Hα-helixtrans-80.3-45.8172.3177-162.5167.6-151.30111.2P653 A703 R704 E705 H710 F711P653-K707 HydrophobicContact CB-CB 4.4Å; P653-K707 HydrophobicContact CG-CB 4.33Å; P653-K707 HydrophobicContact CG-CG 4.4Å; A703-K707 VanDerWaalsContact O-CB 3.22Å; A703-K707 WeakPolarHBondContact O-CB 3.13Å; A703-K707 PolarHBondContact O-N 2.8Å; R704-K707 WeakPolarHBondContact O-CB 3.46Å; R704-K707 PolarHBondContact O-N 3.26Å; E705-K707 PolarHBondContact O-N 2.93Å; K707-H710 PolarHBondContact O-N 2.95Å; K707-F711 HydrophobicContact CD-CE2 4.48Å; K707-F711 HydrophobicContact CG-CD2 3.99Å; K707-F711 HydrophobicContact CG-CE2 3.75Å; K707-F711 WeakPolarHBondContact O-CD2 3.35Å; K707-F711 PolarHBondContact O-N 2.85Å; K707-F711 VanDerWaalsContact O-N 3.13Å
708A94.7Very high93.6Very high50 Ų5071.4 Ų71.441%0.41336%0.36SS..Hα-helixtrans-61.3-54.4179.800000111.2R704 E705 H710 F711 Q712R704-A708 WeakPolarHBondContact O-CB 3.5Å; R704-A708 PolarHBondContact O-N 2.84Å; E705-A708 PolarHBondContact O-N 2.84Å; A708-H710 VanDerWaalsContact C-N 3.29Å; A708-H710 PolarHBondContact O-N 2.94Å; A708-F711 CarbonylContact O-C 3.56Å; A708-F711 WeakPolarHBondContact O-CA 3.47Å; A708-F711 PolarHBondContact O-N 3.23Å; A708-Q712 PolarHBondContact O-N 3.32Å
709A94.5Very high92.8Very high25 Ų2576 Ų7621%0.20737%0.371CS..Hα-helixtrans-65.4-29.817900000112.9E705 F711 Q712 S713 L840E705-A709 PolarHBondContact O-N 2.79Å; A709-F711 VanDerWaalsContact C-N 3.34Å; A709-F711 PolarHBondContact O-N 2.92Å; A709-Q712 VanDerWaalsContact CA-OE1 3.27Å; A709-Q712 PolarHBondContact O-N 2.94Å; A709-S713 PolarHBondContact O-N 2.68Å; A709-S713 PolarHBondContact O-OG 2.84Å; A709-S713 VanDerWaalsContact O-OG 3.11Å; A709-L840 HydrophobicContact CB-CD1 3.42Å; A709-L840 VanDerWaalsContact CB-CD1 3.42Å
710H95.2Very high91.6Very high5 Ų578.9 Ų78.92%0.02339%0.394CS..Hα-helixtrans-63.3-36.3168173.482.6000113.3R651 P653 L706 K707 A708 F714 W717R651-H710 PolarHBondContact O-CE1 3.06Å; P653-H710 HydrophobicContact CB-CB 3.88Å; P653-H710 HydrophobicContact CG-CB 4.3Å; L706-H710 WeakPolarHBondContact O-CB 3.06Å; L706-H710 PolarHBondContact O-N 3.33Å; K707-H710 PolarHBondContact O-N 2.95Å; A708-H710 VanDerWaalsContact C-N 3.29Å; A708-H710 PolarHBondContact O-N 2.94Å; H710-F714 AromaticContact CE1-CD2 3.89Å; H710-F714 AromaticContact ND1-CD2 3.68Å; H710-F714 WeakPolarHBondContact O-CB 2.99Å; H710-F714 WeakPolarHBondContact O-CD2 3.18Å; H710-F714 PolarHBondContact O-N 3.29Å; H710-W717 AromaticContact NE2-CD2 3.22Å; H710-W717 AromaticContact NE2-CE2 3.58Å; H710-W717 AromaticContact NE2-CE3 3.37Å; H710-W717 AromaticContact NE2-CG 3.6Å; H710-W717 AromaticContact NE2-CZ3 3.82Å
711F92.7Very high90.4Very high86 Ų8677.5 Ų77.538%0.37739%0.394SS..Hα-helixtrans-77.3-26.3173.8-75.4-64.9000112.9K707 A708 A709 F714 P715 W717K707-F711 HydrophobicContact CD-CE2 4.48Å; K707-F711 HydrophobicContact CG-CD2 3.99Å; K707-F711 HydrophobicContact CG-CE2 3.75Å; K707-F711 WeakPolarHBondContact O-CD2 3.35Å; K707-F711 PolarHBondContact O-N 2.85Å; K707-F711 VanDerWaalsContact O-N 3.13Å; A708-F711 CarbonylContact O-C 3.56Å; A708-F711 WeakPolarHBondContact O-CA 3.47Å; A708-F711 PolarHBondContact O-N 3.23Å; A709-F711 VanDerWaalsContact C-N 3.34Å; A709-F711 PolarHBondContact O-N 2.92Å; F711-F714 CarbonylContact O-C 3.58Å; F711-P715 WeakPolarHBondContact O-CA 3.41Å; F711-P715 VanDerWaalsContact O-N 3.11Å; F711-W717 AromaticContact CE1-CE3 3.86Å; F711-W717 HydrophobicContact CE1-CE3 3.86Å; F711-W717 HydrophobicContact CE1-CZ3 4.31Å; F711-W717 HydrophobicContact CZ-CE3 4.2Å; F711-W717 HydrophobicContact CZ-CZ3 4.19Å
712Q93Very high88.5Confident151 Ų15181.5 Ų81.571%0.70641%0.41SS*.Hα-helixtrans-69.4-48.6171-68.8167.2-36.700111.5A708 A709 F714 P715A708-Q712 PolarHBondContact O-N 3.32Å; A709-Q712 VanDerWaalsContact CA-OE1 3.27Å; A709-Q712 PolarHBondContact O-N 2.94Å; Q712-F714 VanDerWaalsContact C-N 3.3Å; Q712-F714 PolarHBondContact O-N 3.08Å; Q712-P715 WeakPolarHBondContact O-CD 3.42Å
713S93.1Very high86Confident65 Ų6586.5 Ų86.546%0.45543%0.433SS..Hα-helixtrans-71-22.9176.9-490000113.7A709A709-S713 PolarHBondContact O-N 2.68Å; A709-S713 PolarHBondContact O-OG 2.84Å; A709-S713 VanDerWaalsContact O-OG 3.11Å
714F91.6Very high83Confident75 Ų7596 Ų9633%0.32947%0.466SS..  trans-138.666.7-177.8-48.9-77.3000112V650 H710 F711 Q712 N716 W717V650-F714 HydrophobicContact CG1-CD1 4Å; V650-F714 HydrophobicContact CG1-CD2 3.66Å; V650-F714 HydrophobicContact CG1-CE1 3.95Å; V650-F714 HydrophobicContact CG1-CE2 3.62Å; V650-F714 HydrophobicContact CG1-CG 3.87Å; V650-F714 HydrophobicContact CG1-CZ 3.76Å; V650-F714 HydrophobicContact CG2-CD1 3.89Å; V650-F714 HydrophobicContact CG2-CE1 3.92Å; V650-F714 HydrophobicContact CG2-CG 4.43Å; H710-F714 AromaticContact CE1-CD2 3.89Å; H710-F714 AromaticContact ND1-CD2 3.68Å; H710-F714 WeakPolarHBondContact O-CB 2.99Å; H710-F714 WeakPolarHBondContact O-CD2 3.18Å; H710-F714 PolarHBondContact O-N 3.29Å; F711-F714 CarbonylContact O-C 3.58Å; Q712-F714 VanDerWaalsContact C-N 3.3Å; Q712-F714 PolarHBondContact O-N 3.08Å; F714-N716 PolarHBondContact O-N 2.98Å; F714-W717 HydrophobicContact CB-CB 3.75Å; F714-W717 WeakPolarHBondContact O-CB 3.34Å; F714-W717 PolarHBondContact O-N 2.56Å
715P89.5Confident80.3Confident96 Ų9698.3 Ų98.362%0.62349%0.487SS*.THydrogen-bonded Turntrans-61.9-34.1-17624.1-34000112.4F711 Q712 W717F711-P715 WeakPolarHBondContact O-CA 3.41Å; F711-P715 VanDerWaalsContact O-N 3.11Å; Q712-P715 WeakPolarHBondContact O-CD 3.42Å; P715-W717 PolarHBondContact O-N 2.64Å
716N86.3Confident77.2Confident164 Ų164105.6 Ų105.688%0.87751%0.513SS*.THydrogen-bonded Turntrans-80.17.4175.2-70.1-41.8000113.9F714 K718F714-N716 PolarHBondContact O-N 2.98Å; N716-K718 PolarHBondContact O-N 2.95Å
717W88.3Confident74.2Confident50 Ų50110 Ų11019%0.18955%0.547CS..  trans-72.4117.8-179.2-176.483.2000112.7V650 R652 H710 F711 F714 P715 W719V650-W717 PolarHBondContact O-NE1 3.43Å; V650-W717 VanDerWaalsContact O-NE1 3.16Å; R652-W717 HydrophobicContact CB-CH2 4.22Å; R652-W717 HydrophobicContact CB-CZ2 4.25Å; R652-W717 HydrophobicContact CG-CH2 3.97Å; R652-W717 HydrophobicContact CG-CZ2 3.93Å; H710-W717 AromaticContact NE2-CD2 3.22Å; H710-W717 AromaticContact NE2-CE2 3.58Å; H710-W717 AromaticContact NE2-CE3 3.37Å; H710-W717 AromaticContact NE2-CG 3.6Å; H710-W717 AromaticContact NE2-CZ3 3.82Å; F711-W717 AromaticContact CE1-CE3 3.86Å; F711-W717 HydrophobicContact CE1-CE3 3.86Å; F711-W717 HydrophobicContact CE1-CZ3 4.31Å; F711-W717 HydrophobicContact CZ-CE3 4.2Å; F711-W717 HydrophobicContact CZ-CZ3 4.19Å; F714-W717 HydrophobicContact CB-CB 3.75Å; F714-W717 WeakPolarHBondContact O-CB 3.34Å; F714-W717 PolarHBondContact O-N 2.56Å; P715-W717 PolarHBondContact O-N 2.64Å; W717-W719 HydrophobicContact CH2-CB 3.73Å; W717-W719 HydrophobicContact CH2-CG 4.49Å; W717-W719 HydrophobicContact CZ2-CB 4.07Å; W717-W719 HydrophobicContact CZ3-CB 4.16Å
718K82.8Confident71.4Confident178 Ų178113.5 Ų113.577%0.77457%0.565SS**  trans-115.9119.1174.6-165.2168.9-166.7160.70109.4N716 S720N716-K718 PolarHBondContact O-N 2.95Å; K718-S720 PolarHBondContact O-N 2.9Å
719W80.8Confident68.5Low140 Ų140115.1 Ų115.153%0.5359%0.586SS.*  trans-57.5108.1177.7172.153.2000111.2R652 W717R652-W719 VanDerWaalsContact NH1-CG 3.31Å; R652-W719 VanDerWaalsContact NH2-CZ2 3.25Å; W717-W719 HydrophobicContact CH2-CB 3.73Å; W717-W719 HydrophobicContact CH2-CG 4.49Å; W717-W719 HydrophobicContact CZ2-CB 4.07Å; W717-W719 HydrophobicContact CZ3-CB 4.16Å
720S73.3Confident65.7Low82 Ų82117.2 Ų117.257%0.57361%0.61SS**  trans-98.1125.9168.9-66.50000109.4K718 K722K718-S720 PolarHBondContact O-N 2.9Å; S720-K722 PolarHBondContact O-N 3.16Å
721S70.7Confident62.7Low55 Ų55124.5 Ų124.539%0.38565%0.649SS.*  trans-59.2129.7163.751.70000108.8Q723S721-Q723 PolarHBondContact O-N 3.03Å
722K58.1Low60.5Low156 Ų156128 Ų12868%0.67867%0.67SS**  trans-68.870.9171-166.5161.6-174.2161.10109.3D646 S720D646-K722 IonicContact OD2-NZ 2.67Å; S720-K722 PolarHBondContact O-N 3.16Å
723Q41.7Very low57.7Low121 Ų121130.5 Ų130.557%0.56568%0.679SS**  trans-56.2141.7166.4-86.4-175.8-10700107.5S721 L725S721-Q723 PolarHBondContact O-N 3.03Å; Q723-L725 PolarHBondContact O-N 2.77Å
724R35.1Very low55.1Low213 Ų213136.9 Ų136.980%0.80470%0.698SS**  trans-69.4132.8-161.8-58.3169.4174140.5-5.4109.8R726R724-R726 HydrophobicContact CB-CB 3.8Å; R724-R726 HydrophobicContact CB-CG 4.35Å; R724-R726 PolarHBondContact O-N 3.41Å
725L39.8Very low52Low182 Ų182144.3 Ų144.395%0.95372%0.724SS**SBendtrans-70.765.8145.6-72.9171.8000108.7Q723Q723-L725 PolarHBondContact O-N 2.77Å
726R30.8Very low48.9Very low184 Ų184145.1 Ų145.169%0.69473%0.731SS**SBendtrans-150.294.5168.8-69.5-64.6166.7161-9.8107.8R724R724-R726 HydrophobicContact CB-CB 3.8Å; R724-R726 HydrophobicContact CB-CG 4.35Å; R724-R726 PolarHBondContact O-N 3.41Å
727S31.5Very low46.4Very low117 Ų117143 Ų14382%0.81873%0.726SS**SBendtrans70.275.5154.7-49.80000117.4
728E35.7Very low43.6Very low189 Ų189146.9 Ų146.988%0.88376%0.756SS**  trans-151.4113.3154.7-106.5148.3-164.500107.5
729G33.9Very low41.2Very low83 Ų83146.1 Ų146.186%0.85675%0.754SS**  trans148.587-170.100000112.2
730G35.3Very low38.7Very low70 Ų70144.2 Ų144.272%0.72276%0.761SS**  trans-86.1177.4178.600000113.7I732G730-I732 PolarHBondContact O-N 2.97Å
731N32.4Very low36.9Very low158 Ų158147.1 Ų147.185%0.84577%0.771SS**  trans-53.8124-177.5-58.5-78.9000113.5
732I46.1Very low35.1Very low158 Ų158149.6 Ų149.681%0.8179%0.788SS**  trans-145.5138.9142.2-97.5152.8000106.6G730 K734G730-I732 PolarHBondContact O-N 2.97Å; I732-K734 PolarHBondContact O-N 2.96Å
733K35.7Very low34.3Very low205 Ų205149.5 Ų149.589%0.89179%0.789SS**  trans-72.2117172.9-61.3172.8-175171.90108.8
734K37.5Very low34Very low198 Ų198148.9 Ų148.986%0.86180%0.796SS**  trans-114.5124139.2-74.9-162.8173.1-1690107.1I732I732-K734 PolarHBondContact O-N 2.96Å
735R27.8Very low34Very low231 Ų231143.2 Ų143.287%0.87278%0.779SS**PPolyproline II helixtrans-59154168.1-60.3175.7-179168.4-0.3107.4P737R735-P737 WeakPolarHBondContact O-CD 3.33Å
736C24.2Very low33.8Very low113 Ų113140.6 Ų140.676%0.76477%0.77SS**PPolyproline II helixtrans-62.5129.9152.4-58.80000106.8
737P33.5Very low34.1Very low121 Ų121141 Ų14179%0.78677%0.772SS**PPolyproline II helixtrans-55.5131.1142-13.430.1000106.7R735R735-P737 WeakPolarHBondContact O-CD 3.33Å
738T29Very low34.2Very low131 Ų131142.4 Ų142.480%0.80478%0.775SS**PPolyproline II helixtrans-70.4141.1-176.3-47.80000110.7
739H31.9Very low34.1Very low161 Ų161138 Ų13875%0.74577%0.766SS**  trans65.8162.8170.9-115.3-130.1000115.3
740C29.3Very low34.1Very low101 Ų101141 Ų14168%0.68276%0.762SS**  cis-126.8150.712.650.60000115.5
741N35.7Very low33.8Very low143 Ų143143 Ų14377%0.76576%0.759SS**  trans-97.8148.2146.1-67.7-23.8000107.3
742S32.6Very low33.7Very low107 Ų107141.2 Ų141.275%0.74875%0.75SS**  trans-166.4157.3160.445.50000111.2
743H40.7Very low33.1Very low153 Ų153138 Ų13871%0.70874%0.742SS**  cis-102.5-109.3-27.2-167.7-154.2000107.6E745H743-E745 PolarHBondContact CE1-N 3.46Å; H743-E745 VanDerWaalsContact CE1-N 3.28Å; H743-E745 IonicContact CE1-OE1 3.13Å; H743-E745 PolarHBondContact CE1-OE1 2.98Å; H743-E745 PolarHBondContact ND1-N 3.15Å; H743-E745 VanDerWaalsContact ND1-N 3.17Å; H743-E745 IonicContact ND1-OE1 2.69Å; H743-E745 PolarHBondContact ND1-OE1 3.21Å
744P36.2Very low33Very low109 Ų109132.7 Ų132.771%0.70873%0.731SS**  cis-95158.8-26.86.716.5000113.2
745E34.5Very low32.8Very low93 Ų93130.2 Ų130.244%0.43573%0.727SS.*  trans37.2135.2130.8-51.3-45.297.700120.5H743 R747H743-E745 PolarHBondContact CE1-N 3.46Å; H743-E745 VanDerWaalsContact CE1-N 3.28Å; H743-E745 IonicContact CE1-OE1 3.13Å; H743-E745 PolarHBondContact CE1-OE1 2.98Å; H743-E745 PolarHBondContact ND1-N 3.15Å; H743-E745 VanDerWaalsContact ND1-N 3.17Å; H743-E745 IonicContact ND1-OE1 2.69Å; H743-E745 PolarHBondContact ND1-OE1 3.21Å; E745-R747 IonicContact OE2-CZ 2.63Å; E745-R747 IonicContact OE2-NE 2.74Å; E745-R747 PolarHBondContact OE2-NE 3.23Å; E745-R747 IonicContact OE2-NH2 2.64Å; E745-R747 PolarHBondContact OE2-NH2 2.91Å
746T36.5Very low33Very low127 Ų127126.3 Ų126.378%0.77972%0.722SS**  cis-147.6172.32034.90000110.8
747R35.8Very low33.3Very low194 Ų194128.5 Ų128.573%0.73273%0.725SS**  cis-169.1174.2-34.7-105.3-179-173.3-149.4-5.4106.4E745E745-R747 IonicContact OE2-CZ 2.63Å; E745-R747 IonicContact OE2-NE 2.74Å; E745-R747 PolarHBondContact OE2-NE 3.23Å; E745-R747 IonicContact OE2-NH2 2.64Å; E745-R747 PolarHBondContact OE2-NH2 2.91Å
748T34.3Very low33.1Very low145 Ų145128.1 Ų128.189%0.8972%0.721SS**  trans69.7145.1170.767.20000117.3
749S33.9Very low33.2Very low97 Ų97127.7 Ų127.768%0.67871%0.713SS**  cis-149.6136.3959.20000115.6
750L32.8Very low33.3Very low147 Ų147127.9 Ų127.977%0.7772%0.715SS**  trans69.1117.2138.3-64.1168.2000123.1
751T29.4Very low33.3Very low110 Ų110131 Ų13168%0.67572%0.717SS**  trans69.4148.4136.362.90000120
752D29.5Very low33.2Very low121 Ų121131.3 Ų131.365%0.64772%0.718SS**  cis-151.2154.610.4-156-15.6000112.4
753S35.1Very low33.2Very low92 Ų92130.5 Ų130.564%0.64371%0.712SS**  trans58.4115.4146.5-80.30000123.9
754S33.2Very low32.9Very low93 Ų93129.5 Ų129.565%0.6572%0.717SS**  90.193.4117.8-67.70000122.5
755N32.2Very low32.9Very low146 Ų146130.4 Ų130.478%0.78171%0.711SS**  74.8153.8109.5-73-51.3000123
756L31.8Very low32.9Very low149 Ų149131.8 Ų131.878%0.7872%0.722SS**  trans75.5112.7171.2-47.4-176.7000115.6
757L30.7Very low32.8Very low158 Ų158132.5 Ų132.583%0.82771%0.714SS**  87.5165.351.3-79.5173.3000114.7
758V30.7Very low32.4Very low113 Ų113129.8 Ų129.869%0.68571%0.714SS**  trans97.285.9165.9-169.20000116.5
759N30.2Very low32.1Very low122 Ų122129.4 Ų129.465%0.65271%0.706SS**  69.8167.3129-58.34.4000118.9
760E34.5Very low32.3Very low166 Ų166130.3 Ų130.378%0.77671%0.709SS**  cis-145.4168.712.5-149.2154.4116.200115.1
761F28.3Very low31.9Very low165 Ų165129.8 Ų129.872%0.72472%0.716SS**  trans-52.7171.5-179.2-68.8-107.2000115.2
762L33.6Very low31.8Very low150 Ų150130.1 Ų130.179%0.78572%0.724SS**  cis-158.4149.548.4-80.7163000115.6
763S33Very low31.6Very low91 Ų91133.7 Ų133.764%0.63673%0.734SS**  18.2150.2129.7-44.10000120.3
764V35.5Very low31.1Very low131 Ų131135.2 Ų135.279%0.79474%0.739SS**  -160.9140.851.4161.10000107.3
765E36.1Very low30.8Very low128 Ų128135.6 Ų135.660%0.59874%0.742SS**  cis-155.1-152.4-12.6-113.6-161.8118.500105.1K767E765-K767 WeakPolarHBondContact OE1-CE 3.49Å
766N33.8Very low30.5Very low122 Ų122135.4 Ų135.465%0.65274%0.741SS**  cis-161.7138.15.6-134.8-72.6000104.8
767K34.2Very low30.5Very low142 Ų142136.5 Ų136.562%0.61774%0.742SS**  cis-162137.3-12.2-121.5-172-168.4178.40108.7E765E765-K767 WeakPolarHBondContact OE1-CE 3.49Å
768L28.6Very low30.4Very low138 Ų138135.1 Ų135.172%0.72373%0.734SS**  trans61145.7153-45177.3000118.8
769N28Very low30.3Very low137 Ų137135.2 Ų135.273%0.73373%0.731SS**  cis-155.1146-12.6-1162.7000111.4
770P37.3Very low30.3Very low115 Ų115137.7 Ų137.775%0.74774%0.739SS**  trans-105.3172.2169.740.5-33.5000112.5
771C24.4Very low30.6Very low136 Ų136134.3 Ų134.392%0.91973%0.733SS**  trans-165.8176.4144.2-130.40000114.1
772S26.7Very low30.8Very low118 Ų118133.7 Ų133.783%0.82574%0.737SS**  trans-111-175.5-168.4-55.20000114.2
773F25.1Very low30.7Very low196 Ų196130 Ų13086%0.8674%0.736SS**  trans-63.4168.2177.7-115.5-107.4000115.8
774T25.4Very low30.5Very low123 Ų123132.2 Ų132.276%0.75574%0.739SS**  trans76.6118.5164.259.50000121.4
775S27.1Very low30.1Very low102 Ų102132.9 Ų132.971%0.71374%0.737SS**  60.6104.2129-55.20000122.6
776N26.4Very low29.7Very low142 Ų142132.2 Ų132.276%0.75974%0.742SS**  trans75.6133.4133.2-69.5-19.6000121.9
777Q30.4Very low29.3Very low171 Ų171133.6 Ų133.680%0.79975%0.749SS**  trans72.7128.3148.8-75.3-169.764.700118.6
778I28.9Very low28.9Very low130 Ų130132.5 Ų132.567%0.66776%0.76SS**  cis-153.2173.5-12.7-14.1163000109.8
779N28.5Very low29.1Very low114 Ų114130.3 Ų130.361%0.6176%0.761SS**  trans71.7105.1160-60.72.2000116.2
780E31.3Very low28.9Very low175 Ų175131.2 Ų131.282%0.81877%0.765SS**  87.2138.275.2-81.3172.6-162.700112.1
781S39.8Very low28.4Very low95 Ų95132.8 Ų132.866%0.66477%0.767SS**  cis-147152.619.635.70000113.8
782D32.9Very low28.6Very low152 Ų152133.3 Ų133.381%0.81376%0.757SS**  trans49.6142.2144.2-50.8-26000122.9
783G32.2Very low28.7Very low73 Ų73134.3 Ų134.375%0.75375%0.752SS**  trans165.9-1.8172.800000119.9
784I27.5Very low28.9Very low137 Ų137128.7 Ų128.770%0.70374%0.737SS**  trans57.8107.7131.9-65.5175.4000120
785L27.5Very low29.2Very low145 Ų145129.7 Ų129.776%0.75974%0.737SS**  trans78.4134.1139.4-66171.4000124.7
786T27.1Very low29.6Very low114 Ų114130.4 Ų130.470%0.69973%0.733SS**  trans64.4123.7143.851.30000119.5
787N26.1Very low29.9Very low150 Ų150129.6 Ų129.680%0.80273%0.728SS**  60.1107.656.4-69.7-12.6000114.9
788S26.7Very low30.2Very low120 Ų120128.7 Ų128.784%0.83972%0.724SS**  trans151.2150.5132.3-69.90000112.8
789A31.3Very low30.6Very low91 Ų91126.7 Ų126.775%0.75272%0.722SS**  trans63.6135.8173.600000115
790L25.2Very low30.8Very low156 Ų156126.7 Ų126.782%0.81773%0.726SS**  cis64.6146.935.1-58.2-178.9000114.2
791N26.3Very low30.9Very low148 Ų148125.7 Ų125.779%0.79173%0.725SS**  trans67.5146.4-174.1-60.50.2000112.5
792E27.5Very low30.5Very low148 Ų148125.1 Ų125.169%0.69273%0.726SS**  cis-162.2169.45.5-137.4-174.3157.300111.9
793L29.5Very low30.4Very low139 Ų139124.4 Ų124.473%0.72872%0.721SS**  trans68.1147.3154.4-60162.9000117
794S28.7Very low30.5Very low78 Ų78125.6 Ų125.655%0.54572%0.718SS.*  cis-170156.9-2.4-121.90000113.6
795L32.9Very low30.8Very low144 Ų144127 Ų12775%0.75472%0.721SS**  trans61138.2148.1-54.9161.6000117.6
796N35.1Very low31Very low116 Ų116125 Ų12562%0.6272%0.72SS**  cis-152.31382.5-99.8-23.2000107.5
797N31.7Very low31.2Very low126 Ų126126.4 Ų126.467%0.67472%0.723SS**  58.6127.990.5-66.131.3000112.7
798E37.1Very low31.5Very low152 Ų152126.1 Ų126.171%0.7172%0.721SS**  cis-160.9-169.314.3-120.2172.5-110.700110.2
799S38.1Very low31.5Very low88 Ų88127.4 Ų127.462%0.61572%0.718SS**  cis-155.1160.319.6-149.50000114.7
800T33.4Very low31.4Very low114 Ų114127.2 Ų127.270%0.69972%0.717SS**  trans-1.3147.8150-4.60000119.8
801I32.5Very low31.8Very low153 Ų153128.7 Ų128.779%0.78572%0.719SS**  cis-143.4122.831.8-65.5178.2000113.6
802A31.7Very low32Very low83 Ų83129.1 Ų129.169%0.68672%0.722SS**  trans37.2155.2131.600000123
803L30.8Very low32.1Very low138 Ų138129.3 Ų129.372%0.72373%0.726SS**  cis-169.2172.6-15.4-105.3174.2000105.9Q805L803-Q805 HydrophobicContact CD2-CG 4.13Å
804S34.3Very low32.2Very low98 Ų98126.8 Ų126.869%0.68572%0.72SS**  cis-137.9168.14-88.90000107.8
805Q33.7Very low32.3Very low165 Ų165130.7 Ų130.777%0.77173%0.73SS**  cis90.593.726.4-69.4-159.76.500118.5L803L803-Q805 HydrophobicContact CD2-CG 4.13Å
806S32.3Very low32.3Very low105 Ų105131.1 Ų131.173%0.73473%0.727SS**  trans-174.1118.3137.649.80000108.3
807N30.6Very low32.2Very low142 Ų142131.6 Ų131.676%0.75973%0.73SS**  70.6132.672.4-64.6-18000111.7
808L31.3Very low32.1Very low145 Ų145130.3 Ų130.376%0.75973%0.73SS**  cis-141.3157.221-72.6174.9000110.3
809N27.9Very low31.6Very low147 Ų147132.9 Ų132.979%0.78673%0.734SS**  59.9140.663.2-66.6-9.9000114.9
810A29.8Very low31.2Very low87 Ų87134.1 Ų134.172%0.71973%0.734SS**  cis-168.3-153.8-11.400000110.3
811E32.9Very low31Very low186 Ų186134.1 Ų134.187%0.86973%0.73SS**  trans77.9111.8172.7-54.1-172.9175.800116.4
812N29.5Very low30.9Very low157 Ų157133 Ų13384%0.8472%0.721SS**  cis96.4159.914.4-152.63.5000115.3
813I29.6Very low30.7Very low153 Ų153138.7 Ų138.779%0.78572%0.724SS**  trans83.1132.5-174.8-54.1163.9000113.2
814S33.2Very low30.4Very low85 Ų85137.2 Ų137.259%0.59473%0.726SS**  cis-141.9132.9-4.6-134.10000114
815Q29.8Very low30Very low161 Ų161140.4 Ų140.475%0.75273%0.733SS**  27.7122.3119.6-50174-6.900120.1
816H33.7Very low29.5Very low153 Ų153140 Ų14071%0.70873%0.731SS**  -167.6125.498.9-120.2-114.4000113.6
817N31.8Very low29.4Very low125 Ų125141.4 Ų141.467%0.66874%0.736SS**  trans46.5136.1137.1-62.516000121.7
818C29.5Very low29.1Very low100 Ų100141.8 Ų141.868%0.67673%0.73SS**  cis-150.4147.7-7.5-88.80000106.9
819Y27.5Very low29Very low206 Ų206140.6 Ų140.681%0.80873%0.734SS**  58.9129.962.7-76.1-104.6000112.5
820D30.3Very low28.9Very low114 Ų114138.1 Ų138.161%0.6173%0.728SS**  cis-159.6168.413.4-151.29.5000116.1
821N29Very low28.8Very low113 Ų113141.8 Ų141.860%0.60474%0.736SS**  trans22.5143.6147.5-74.1-40.3000121
822H29.3Very low28.6Very low129 Ų129141.4 Ų141.460%0.59773%0.734SS**  cis-169.9173.518.4-129.734.3000107.8
823R26.9Very low28.6Very low203 Ų203144.7 Ų144.777%0.76674%0.736SS**  cis-157.6168.9-2.3-151.6178.6-154.9156.115.6110.4
824S24.6Very low28.5Very low107 Ų107148 Ų14875%0.74874%0.739SS**  trans-11.9119.7168.1-51.30000122.2
825I25.8Very low28.7Very low165 Ų165151.1 Ų151.185%0.84675%0.749SS**  trans-161.2162.5138.7-104.3156.2000109.6V827I825-V827 PolarHBondContact O-N 2.82Å
826E24Very low29.5Very low156 Ų156147.9 Ų147.973%0.72974%0.736SS**  trans-49117-173.3-60.4-178.8-179.600116.5K828E826-K828 IonicContact OE2-NZ 3.93Å; E826-K828 PolarHBondContact OE2-NZ 2.79Å
827V29.3Very low30.2Very low136 Ų136142.3 Ų142.382%0.82472%0.72SS**  trans-102.5128.3167.2-179.10000111I825I825-V827 PolarHBondContact O-N 2.82Å
828K25.7Very low31.3Very low149 Ų149141.6 Ų141.665%0.64872%0.716SS**  trans-105.185.6-178.3-65.7172.1-179.966.50110.7E826 S830E826-K828 IonicContact OE2-NZ 3.93Å; E826-K828 PolarHBondContact OE2-NZ 2.79Å; K828-S830 PolarHBondContact O-N 3.33Å
829S29.2Very low32.4Very low120 Ų120141.8 Ų141.884%0.83971%0.71SS**  trans-67118.3174.240.90000111
830S26.2Very low34.1Very low95 Ų95133.7 Ų133.766%0.66468%0.68SS**  trans-97.8164.5-176.8-64.80000112.4K828 Q832K828-S830 PolarHBondContact O-N 3.33Å; S830-Q832 PolarHBondContact O-N 3.42Å
831D27.1Very low35.4Very low165 Ų165129.1 Ų129.188%0.88266%0.656SS**  trans63.637.5157.9-66.8-28.7000120.3
832Q29.4Very low37.1Very low178 Ų178127.5 Ų127.583%0.83265%0.647SS**  trans-117.622.4172-143.7167.31000117.2S830S830-Q832 PolarHBondContact O-N 3.42Å
833Y28.3Very low38.4Very low225 Ų225125.6 Ų125.688%0.88264%0.638SS**  trans-130.673.8169.7-72.2-76.6000112.8
834R28.4Very low40Very low222 Ų222116.3 Ų116.384%0.83861%0.605SS**  trans-111.833.3178.5-159.2171.9166.8-171.4-9.1113.3N836R834-N836 PolarHBondContact O-ND2 2.96Å; R834-N836 VanDerWaalsContact O-ND2 3.09Å
835L37.1Very low41.7Very low152 Ų152111.8 Ų111.880%0.79657%0.573SS**  trans-70.8139.7170.4-72.9172.7000110.6
836N45.9Very low43.3Very low93 Ų93108.8 Ų108.850%0.49756%0.555SS.*  trans-101.6161.2-155.4-69.5-80.8000112.1R834 L838 D839R834-N836 PolarHBondContact O-ND2 2.96Å; R834-N836 VanDerWaalsContact O-ND2 3.09Å; N836-L838 HydrophobicContact CB-CB 3.98Å; N836-L838 PolarHBondContact O-N 3.22Å; N836-D839 PolarHBondContact O-N 3.01Å
837G49.3Very low44.7Very low36 Ų36106.4 Ų106.437%0.37154%0.54SS..THydrogen-bonded Turntrans-62.18.2165.100000114.9
838L54.9Low45.8Very low110 Ų110101.6 Ų101.658%0.57651%0.51SS*.THydrogen-bonded Turntrans-70.6-31.1164.3-160.879.9000111.6N836 L841 L842N836-L838 HydrophobicContact CB-CB 3.98Å; N836-L838 PolarHBondContact O-N 3.22Å; L838-L841 CarbonylContact O-C 3.49Å; L838-L841 WeakPolarHBondContact O-CA 3.23Å; L838-L841 WeakPolarHBondContact O-CB 3.29Å; L838-L841 PolarHBondContact O-N 3.22Å; L838-L841 VanDerWaalsContact O-N 3.17Å; L838-L842 WeakPolarHBondContact O-CB 3.36Å; L838-L842 PolarHBondContact O-N 3.08Å
839D53.1Low47Very low103 Ų10398.1 Ų98.155%0.55150%0.498SS*.Hα-helixtrans-77.2-44.8-174.3-150.838000111.1N836 L841 L842 H843N836-D839 PolarHBondContact O-N 3.01Å; D839-L841 PolarHBondContact O-N 3.01Å; D839-L841 VanDerWaalsContact O-N 3.14Å; D839-L842 WeakPolarHBondContact O-CB 3.4Å; D839-L842 PolarHBondContact O-N 3.12Å; D839-H843 PolarHBondContact O-N 3.39Å
840L62.9Low48.2Very low36 Ų3699.3 Ų99.319%0.18849%0.489CS..Hα-helixtrans-55.9-26.4164.2-171.768.6000112.9L706 A709 A844L706-L840 HydrophobicContact CD2-CD1 3.73Å; L706-L840 HydrophobicContact CD2-CG 3.84Å; A709-L840 HydrophobicContact CB-CD1 3.42Å; A709-L840 VanDerWaalsContact CB-CD1 3.42Å; L840-A844 VanDerWaalsContact O-CB 3.3Å; L840-A844 WeakPolarHBondContact O-CB 3.43Å
841L57.4Low49.2Very low18 Ų1897.1 Ų97.19%0.09447%0.468CS..Hα-helixtrans-82.7-37.1175-163.585.7000111.4L636 L640 L838 D839 A844 V845L636-L841 HydrophobicContact CB-CD1 4.19Å; L636-L841 HydrophobicContact CD2-CD1 3.69Å; L636-L841 HydrophobicContact CG-CD1 3.65Å; L640-L841 HydrophobicContact CD1-CD1 3.69Å; L838-L841 CarbonylContact O-C 3.49Å; L838-L841 WeakPolarHBondContact O-CA 3.23Å; L838-L841 WeakPolarHBondContact O-CB 3.29Å; L838-L841 PolarHBondContact O-N 3.22Å; L838-L841 VanDerWaalsContact O-N 3.17Å; D839-L841 PolarHBondContact O-N 3.01Å; D839-L841 VanDerWaalsContact O-N 3.14Å; L841-A844 PolarHBondContact O-N 2.88Å; L841-V845 HydrophobicContact CG-CG2 4.46Å; L841-V845 WeakPolarHBondContact O-CB 3.39Å; L841-V845 VanDerWaalsContact O-CG2 3.24Å; L841-V845 WeakPolarHBondContact O-CG2 3.21Å; L841-V845 PolarHBondContact O-N 3.29Å
842L63.5Low50.1Low80 Ų8092.1 Ų92.142%0.41944%0.441SS..Hα-helixtrans-64.4-52.5-179.9-176.857.7000110.3L838 D839 A844 V845 Q846L838-L842 WeakPolarHBondContact O-CB 3.36Å; L838-L842 PolarHBondContact O-N 3.08Å; D839-L842 WeakPolarHBondContact O-CB 3.4Å; D839-L842 PolarHBondContact O-N 3.12Å; L842-A844 VanDerWaalsContact C-N 3.31Å; L842-A844 PolarHBondContact O-N 2.82Å; L842-V845 PolarHBondContact O-N 3.45Å; L842-V845 VanDerWaalsContact O-N 3.14Å; L842-Q846 HydrophobicContact CD1-CG 4.2Å; L842-Q846 WeakPolarHBondContact O-CB 3.37Å; L842-Q846 VanDerWaalsContact O-CG 3.32Å; L842-Q846 WeakPolarHBondContact O-CG 3.18Å; L842-Q846 PolarHBondContact O-N 3.08Å; L842-Q846 PolarHBondContact O-OE1 2.9Å
843H57.5Low50.7Low88 Ų8889.8 Ų89.841%0.40743%0.434SS..Hα-helixtrans-56.8-44.1174.9-169.5-77.5000111.9E705 D839 V845 Q846 Y847E705-H843 IonicContact OE2-CE1 3.39Å; E705-H843 PolarHBondContact OE2-CE1 2.84Å; E705-H843 IonicContact OE2-ND1 3.71Å; D839-H843 PolarHBondContact O-N 3.39Å; H843-V845 VanDerWaalsContact C-N 3.33Å; H843-V845 PolarHBondContact O-N 2.88Å; H843-Q846 PolarHBondContact O-N 2.84Å; H843-Y847 AromaticContact CE1-CD2 3.46Å; H843-Y847 VanDerWaalsContact CE1-CD2 3.46Å; H843-Y847 WeakPolarHBondContact CE1-CD2 3.45Å; H843-Y847 AromaticContact CE1-CE2 3.41Å; H843-Y847 VanDerWaalsContact CE1-CE2 3.41Å; H843-Y847 WeakPolarHBondContact CE1-CE2 3.48Å; H843-Y847 AromaticContact ND1-CD2 3.77Å; H843-Y847 AromaticContact NE2-CE2 3.88Å; H843-Y847 PolarHBondContact O-N 3.23Å
844A60.7Low51.4Low9 Ų985.9 Ų85.97%0.07443%0.428CS..Hα-helixtrans-70.4-25.9-179.800000113.9L702 L706 L840 L841 L842 L848L702-A844 HydrophobicContact CD1-CB 4.36Å; L706-A844 HydrophobicContact CD2-CB 4Å; L840-A844 VanDerWaalsContact O-CB 3.3Å; L840-A844 WeakPolarHBondContact O-CB 3.43Å; L841-A844 PolarHBondContact O-N 2.88Å; L842-A844 VanDerWaalsContact C-N 3.31Å; L842-A844 PolarHBondContact O-N 2.82Å; A844-L848 WeakPolarHBondContact O-CD1 3.33Å; A844-L848 VanDerWaalsContact O-CG 3.27Å; A844-L848 WeakPolarHBondContact O-CG 3.44Å
845V60.1Low51.8Low12 Ų1282.6 Ų82.67%0.07342%0.42CS..Hα-helixtrans-83.1-42.5173.6170.10000110.8K633 L841 L842 H843 Y847 L848 D849K633-V845 HydrophobicContact CD-CG1 3.99Å; K633-V845 HydrophobicContact CG-CG1 4.44Å; K633-V845 HydrophobicContact CG-CG2 4.39Å; L841-V845 HydrophobicContact CG-CG2 4.46Å; L841-V845 WeakPolarHBondContact O-CB 3.39Å; L841-V845 VanDerWaalsContact O-CG2 3.24Å; L841-V845 WeakPolarHBondContact O-CG2 3.21Å; L841-V845 PolarHBondContact O-N 3.29Å; L842-V845 PolarHBondContact O-N 3.45Å; L842-V845 VanDerWaalsContact O-N 3.14Å; H843-V845 VanDerWaalsContact C-N 3.33Å; H843-V845 PolarHBondContact O-N 2.88Å; V845-Y847 VanDerWaalsContact C-N 3.28Å; V845-Y847 PolarHBondContact O-N 2.84Å; V845-L848 PolarHBondContact O-N 2.99Å; V845-L848 VanDerWaalsContact O-N 3.12Å; V845-D849 VanDerWaalsContact CG1-OD2 3.24Å; V845-D849 WeakPolarHBondContact CG1-OD2 3.39Å; V845-D849 WeakPolarHBondContact O-CB 3.43Å; V845-D849 PolarHBondContact O-N 3.13Å
846Q59.1Low51.7Low102 Ų10280.4 Ų80.448%0.47741%0.409SS..Hα-helixtrans-58.3-38.7176-74.6167.6-31.400112.2L842 H843 K850L842-Q846 HydrophobicContact CD1-CG 4.2Å; L842-Q846 WeakPolarHBondContact O-CB 3.37Å; L842-Q846 VanDerWaalsContact O-CG 3.32Å; L842-Q846 WeakPolarHBondContact O-CG 3.18Å; L842-Q846 PolarHBondContact O-N 3.08Å; L842-Q846 PolarHBondContact O-OE1 2.9Å; H843-Q846 PolarHBondContact O-N 2.84Å; Q846-K850 WeakPolarHBondContact O-CB 3.27Å; Q846-K850 WeakPolarHBondContact O-CG 3.48Å; Q846-K850 PolarHBondContact O-N 3.45Å; Q846-K850 VanDerWaalsContact O-N 3.14Å
847Y52.8Low51.1Low105 Ų10583.5 Ų83.541%0.41243%0.425SS..Hα-helixtrans-67.8-42.5172.9-105.5-84000113.3H843 V845 K850 E851H843-Y847 AromaticContact CE1-CD2 3.46Å; H843-Y847 VanDerWaalsContact CE1-CD2 3.46Å; H843-Y847 WeakPolarHBondContact CE1-CD2 3.45Å; H843-Y847 AromaticContact CE1-CE2 3.41Å; H843-Y847 VanDerWaalsContact CE1-CE2 3.41Å; H843-Y847 WeakPolarHBondContact CE1-CE2 3.48Å; H843-Y847 AromaticContact ND1-CD2 3.77Å; H843-Y847 AromaticContact NE2-CE2 3.88Å; H843-Y847 PolarHBondContact O-N 3.23Å; V845-Y847 VanDerWaalsContact C-N 3.28Å; V845-Y847 PolarHBondContact O-N 2.84Å; Y847-K850 PolarHBondContact O-N 3.21Å; Y847-E851 PolarHBondContact O-N 3.32Å; Y847-E851 VanDerWaalsContact O-N 3.11Å
848L53.9Low50.4Low36 Ų3688.9 Ų88.919%0.18845%0.446CS..Hα-helixtrans-68.3-38.4179.4-74.1171.7000112.2L702 A844 V845 K850 E851 N852L702-L848 HydrophobicContact CD2-CD2 4.38Å; L702-L848 HydrophobicContact CD2-CG 4.38Å; A844-L848 WeakPolarHBondContact O-CD1 3.33Å; A844-L848 VanDerWaalsContact O-CG 3.27Å; A844-L848 WeakPolarHBondContact O-CG 3.44Å; V845-L848 PolarHBondContact O-N 2.99Å; V845-L848 VanDerWaalsContact O-N 3.12Å; L848-K850 VanDerWaalsContact C-N 3.34Å; L848-E851 PolarHBondContact O-N 3.13Å; L848-N852 PolarHBondContact O-N 3.23Å; L848-N852 PolarHBondContact O-ND2 2.89Å; L848-N852 PolarHBondContact O-OD1 3.33Å
849D49.8Very low49.5Very low76 Ų7691.7 Ų91.741%0.40646%0.461SS..Hα-helixtrans-70.4-30.4177-68.4-21.2000111.4V845V845-D849 VanDerWaalsContact CG1-OD2 3.24Å; V845-D849 WeakPolarHBondContact CG1-OD2 3.39Å; V845-D849 WeakPolarHBondContact O-CB 3.43Å; V845-D849 PolarHBondContact O-N 3.13Å
850K54.4Low48.8Very low145 Ų14593.4 Ų93.463%0.6347%0.468SS*.Hα-helixtrans-67.8-40170.3-78.7-178.4176.3-1720113.3Q846 Y847 L848Q846-K850 WeakPolarHBondContact O-CB 3.27Å; Q846-K850 WeakPolarHBondContact O-CG 3.48Å; Q846-K850 PolarHBondContact O-N 3.45Å; Q846-K850 VanDerWaalsContact O-N 3.14Å; Y847-K850 PolarHBondContact O-N 3.21Å; L848-K850 VanDerWaalsContact C-N 3.34Å
851E48.5Very low47.6Very low49 Ų4999.7 Ų99.723%0.22950%0.497CS..Hα-helixtrans-70.8-31.5174.8-80.2-172.9-172.600113.5R663 P698 Y847 L848 N853 L854 F855R663-E851 IonicContact CZ-OE2 2.8Å; R663-E851 IonicContact NH1-OE2 2.68Å; R663-E851 PolarHBondContact NH1-OE2 2.84Å; R663-E851 IonicContact NH2-OE2 3.72Å; P698-E851 WeakPolarHBondContact CB-OE1 2.87Å; Y847-E851 PolarHBondContact O-N 3.32Å; Y847-E851 VanDerWaalsContact O-N 3.11Å; L848-E851 PolarHBondContact O-N 3.13Å; E851-N853 PolarHBondContact O-N 2.94Å; E851-N853 VanDerWaalsContact O-N 3.1Å; E851-L854 PolarHBondContact O-N 3.16Å; E851-L854 VanDerWaalsContact O-N 3.17Å; E851-F855 PolarHBondContact O-N 2.9Å
852N45.6Very low46.6Very low59 Ų59103.4 Ų103.432%0.31652%0.522SS..THydrogen-bonded Turntrans-67.3-6-179.7-68-30.6000113.7R663 L848 N856R663-N852 PolarHBondContact NH2-OD1 2.8Å; L848-N852 PolarHBondContact O-N 3.23Å; L848-N852 PolarHBondContact O-ND2 2.89Å; L848-N852 PolarHBondContact O-OD1 3.33Å; N852-N856 PolarHBondContact O-ND2 3.34Å
853N42Very low45.4Very low130 Ų130103.8 Ų103.870%0.69553%0.529SS*.THydrogen-bonded Turntrans-109.4-1.7175.7-69.7-7.2000113.6E851E851-N853 PolarHBondContact O-N 2.94Å; E851-N853 VanDerWaalsContact O-N 3.1Å
854L42.4Very low44.4Very low143 Ų143104.3 Ų104.375%0.74954%0.54SS*.THydrogen-bonded Turntrans-111.7-4175.3-103.273.8000113.6E851E851-L854 PolarHBondContact O-N 3.16Å; E851-L854 VanDerWaalsContact O-N 3.17Å
855F36.5Very low43.2Very low152 Ų152110.6 Ų110.667%0.66757%0.572SS**SBendtrans-138.569.1177.8-74.5-83.7000110.6E851E851-F855 PolarHBondContact O-N 2.9Å
856N35.6Very low41.8Very low107 Ų107118.9 Ų118.957%0.57261%0.607SS**  trans-118141.4160.6-61.7-56.9000108.2N852 D858N852-N856 PolarHBondContact O-ND2 3.34Å; N856-D858 PolarHBondContact O-N 3.24Å
857D34.3Very low40.5Very low157 Ų157119.5 Ų119.584%0.8461%0.613SS**SBendtrans52.846.2159.9-50.5-35.5000117.4
858D34.1Very low39.6Very low149 Ų149123.2 Ų123.280%0.79763%0.634SS**SBend-167.6168126.3-106.1-32.4000113.2N856N856-D858 PolarHBondContact O-N 3.24Å
859L35.8Very low38.7Very low170 Ų170127.7 Ų127.789%0.8966%0.658SS**SBendtrans64.535.1167.4-63.7170.4000119.4
860I38Very low37.9Very low139 Ų139130.8 Ų130.871%0.71367%0.674SS**  trans-130.679.3153.6-48.6-179.9000111
861Q37.5Very low37Very low168 Ų168132 Ų13279%0.78569%0.687SS**PPolyproline II helixtrans-69.4143.9162.5-73-172.4-9.600110.2
862P37Very low36.3Very low96 Ų96134.6 Ų134.662%0.62371%0.706SS**PPolyproline II helixtrans-60.7147.9159.729.8-33.9000108.8
863P37.2Very low35.8Very low87 Ų87138.2 Ų138.257%0.56573%0.726SS**PPolyproline II helixtrans-55.5131.3173.324.7-33.6000108.7L865P863-L865 PolarHBondContact O-N 3.26Å
864P37.7Very low35.4Very low99 Ų99135.9 Ų135.964%0.64373%0.725SS**PPolyproline II helixtrans-57.2131.1-170.421-32.6000110F866P864-F866 PolarHBondContact O-N 2.92Å; P864-F866 VanDerWaalsContact O-N 3.07Å
865L34.8Very low35.3Very low141 Ų141137.2 Ų137.274%0.73872%0.724SS**  trans-68.7108.5170.4-63.5-178.4000106.9P863 I867P863-L865 PolarHBondContact O-N 3.26Å; L865-I867 PolarHBondContact O-N 2.85Å
866F30.2Very low35Very low186 Ų186136.4 Ų136.482%0.81673%0.727SS**  trans-62.889.4158.8-86.4-93.5000107.8P864P864-F866 PolarHBondContact O-N 2.92Å; P864-F866 VanDerWaalsContact O-N 3.07Å
867I31.8Very low34.9Very low116 Ų116138.9 Ų138.960%0.59575%0.746SS**  trans-75.3109.6147.4-58178.1000103.5L865 D869L865-I867 PolarHBondContact O-N 2.85Å; I867-D869 WeakPolarHBondContact CG2-OD1 3.4Å; I867-D869 PolarHBondContact O-N 2.65Å
868E35.4Very low34.7Very low183 Ų183138.9 Ų138.986%0.85574%0.741SS**  trans-71.4107157.9-72.9177.8146.500105
869D33.6Very low34.5Very low130 Ų130137.1 Ų137.170%0.69574%0.735SS**  trans-70.4176.1-174.3-91.2-50.5000112.4I867I867-D869 WeakPolarHBondContact CG2-OD1 3.4Å; I867-D869 PolarHBondContact O-N 2.65Å
870L33.4Very low34.2Very low140 Ų140136.4 Ų136.473%0.73373%0.732SS**  trans-57.1147.4-171.6-59.278000112.2
871D34.8Very low34Very low171 Ų171134.2 Ų134.291%0.91473%0.725SS**  trans-123.7141.8135.5-140.6-25.4000109.6
872T34.5Very low33.7Very low103 Ų103133.8 Ų133.863%0.63273%0.728SS**  trans-122.4108.9-164.2-59.70000110.7
873D36.2Very low33.4Very low136 Ų136137.6 Ų137.673%0.72774%0.735SS**  trans-124.5104.2172.3-147.4-20.9000111.7K875D873-K875 IonicContact OD1-NZ 3.76Å; D873-K875 PolarHBondContact OD1-NZ 2.9Å
874A33.7Very low33.1Very low81 Ų81138.6 Ų138.667%0.66974%0.744SS**  trans-98126.9179.400000111
875K38.6Very low32.8Very low170 Ų170139.9 Ų139.974%0.73975%0.745SS**  trans-145106154.7-86.5105-161.4168.50112.3D873D873-K875 IonicContact OD1-NZ 3.76Å; D873-K875 PolarHBondContact OD1-NZ 2.9Å
876N31.6Very low32.5Very low135 Ų135139.2 Ų139.272%0.72275%0.747SS**  trans36106.7144.2-58.9-11.5000119.5
877V32.2Very low32.6Very low160 Ų160134.9 Ų134.997%0.9774%0.74SS**  -110137.6121.2177.20000107.1
878Q31Very low32.3Very low157 Ų157135.3 Ų135.373%0.73475%0.752SS**  trans-110.9132.6-152.3-162.91753.500112.4
879V29.7Very low32.1Very low111 Ų111129.6 Ų129.667%0.67374%0.742SS**  trans44.5122.4147.3174.30000118.6V881V879-V881 HydrophobicContact CG1-CG2 4.16Å
880N30Very low32Very low156 Ų156129.7 Ų129.783%0.83474%0.742SS**  -135.8132.1118.1-154.7-2.4000110
881V32.2Very low32Very low93 Ų93130.4 Ų130.456%0.56475%0.747SS**  trans-143.9115.4-168-176.60000111.3V879 K883V879-V881 HydrophobicContact CG1-CG2 4.16Å; V881-K883 HydrophobicContact CG1-CB 4.16Å
882N32.7Very low31.6Very low159 Ų159131 Ų13185%0.8574%0.742SS**  trans-112.2103.7157.3-56.7-20.9000104.6
883K30.2Very low31.4Very low176 Ų176134.6 Ų134.677%0.76575%0.751SS**  cis68.372.233.8-150.2175.9-173.3-179.50114.6V881V881-K883 HydrophobicContact CG1-CB 4.16Å
884S31.8Very low31Very low107 Ų107133 Ų13375%0.74875%0.747SS**  trans-174.1149.2142.623.90000109.1
885N29.6Very low30.8Very low126 Ų126134.4 Ų134.467%0.67475%0.747SS**  cis-167.2155.7-19.8-111.5-3000107.6
886T30.1Very low30.4Very low127 Ų127132.5 Ų132.578%0.77975%0.745SS**  trans56.8152.114952.70000120.2
887S32.1Very low30.4Very low95 Ų95132.2 Ų132.266%0.66474%0.743SS**  cis-167150.8-14.344.40000109.9
888C25.4Very low30.5Very low125 Ų125129.5 Ų129.585%0.84573%0.732SS**  trans30142.4136.7-47.60000122.2
889G31.2Very low30.3Very low63 Ų63128.5 Ų128.565%0.64973%0.731SS**  trans118144.9133.500000116.2
890D31.6Very low30.4Very low132 Ų132130.7 Ų130.771%0.70673%0.734SS**  cis-159.2-167.9-9.8-93.3-48.6000108.7
891N33.8Very low30.4Very low156 Ų156130.8 Ų130.883%0.83473%0.729SS**  trans75.788.9-178.2-43-23000112.6
892F25.6Very low30.4Very low184 Ų184132.7 Ų132.781%0.80774%0.736SS**  cis78.4145.124-127.5-77.3000115.3
893E30.4Very low30.2Very low177 Ų177131 Ų13183%0.82773%0.731SS**  trans95.9139.5170.8-55.2-153116.200120
894T27.5Very low30.4Very low104 Ų104131.7 Ų131.764%0.63874%0.737SS**  cis-163.8174.2-27.5-68.50000107.5
895V30.4Very low30.4Very low109 Ų109134 Ų13466%0.66174%0.736SS**  trans102.297.9150.6-169.20000119.4
896N29.9Very low30.5Very low131 Ų131133.5 Ų133.570%0.70173%0.733SS**  trans63157.4136.3-57.64.2000121.7
897N30.1Very low30.5Very low128 Ų128136.8 Ų136.868%0.68474%0.737SS**  cis-167.1159.8-18.5-100.2-10000110.5
898S34.4Very low30.6Very low104 Ų104140.2 Ų140.273%0.72774%0.74SS**  trans62.3141.6162.739.30000117.3
899N27.3Very low31Very low136 Ų136140.4 Ų140.473%0.72773%0.733SS**  cis66.6138.649.9-64.835.8000111.8
900E31.6Very low31.1Very low156 Ų156142.7 Ų142.773%0.72973%0.734SS**  cis-159.7173.618.2-140141-126.700112.7
901E30.9Very low31Very low158 Ų158142.2 Ų142.274%0.73874%0.736SS**  trans68.7147.7155-88.4-166.9116.700124.9
902L31.8Very low31Very low134 Ų134141 Ų14170%0.70273%0.734SS**  trans47.1131.4153.5-54.8166.8000119.7
903T28.1Very low31.3Very low123 Ų123137.8 Ų137.876%0.75573%0.73SS**  cis66.488.135.678.50000117.5
904E34.1Very low31.5Very low190 Ų190134.9 Ų134.989%0.88873%0.726SS**  trans-152.8138.6141.2-108.2174-178.800107.8
905H31.7Very low31.6Very low157 Ų157136.9 Ų136.973%0.72773%0.733SS**  cis104.8127.519.3-137-68.2000114.3
906N33.1Very low31.7Very low114 Ų114140 Ų14061%0.6174%0.74SS**  trans79.8129.7176.2-41.4-64.9000116
907F28.6Very low31.6Very low197 Ų197142.3 Ų142.386%0.86475%0.747SS**  cis72.3138.448.7-98.6-87.8000115.4
908K35.1Very low31.7Very low167 Ų167140.9 Ų140.973%0.72675%0.747SS**  trans112.6146169-67.6158-171.6168.70113.9
909D33.4Very low31.3Very low128 Ų128143.3 Ų143.368%0.68475%0.75SS**  cis-154.5160.62.6-127-39.8000114
910T32.9Very low31.6Very low111 Ų111142.1 Ų142.168%0.68175%0.75SS**  trans41.4114.3140.7-60.90000117.9
911T31.2Very low31.4Very low122 Ų122142.3 Ų142.375%0.74876%0.755SS**  cis-161.1-166.347.4-6.90000108.4
912V32.1Very low31.4Very low132 Ų132141 Ų14180%0.875%0.753SS**  cis-137.816311.6-155.80000110.8
913T32.2Very low31.2Very low115 Ų115141 Ų14171%0.70675%0.754SS**  trans-101.6179179.249.50000113.2
914P36.1Very low31.3Very low116 Ų116139.8 Ų139.875%0.75375%0.75SS**  cis-129.8166.9-1.638.3-21.7000116.6
915D28.7Very low31.2Very low146 Ų146138.1 Ų138.178%0.78174%0.744SS**  trans-80.3166.3165.9-41.3-101000113.6
916Q31.8Very low31.3Very low175 Ų175138.6 Ų138.682%0.81874%0.744SS**  trans159125.5137.1-86.61701300108.4
917E28.6Very low31Very low180 Ų180139.3 Ų139.384%0.84175%0.748SS**  68.2139.357.1-71.3-148.2121.600115.8
918S32.4Very low30.9Very low97 Ų97137.1 Ų137.168%0.67875%0.745SS**  trans70.6111.4166.265.50000120.6
919I25.6Very low30.6Very low155 Ų155135.5 Ų135.580%0.79574%0.743SS**  42.3132.7101-57.1160.4000116.5
920P33.8Very low30.5Very low112 Ų112135 Ų13573%0.72775%0.745SS**  cis-143.8-160.2-19.743.6-23.1000113.7
921L26.8Very low30.4Very low159 Ų159135.6 Ų135.683%0.83274%0.744SS**  trans41.7134.4139.5-138.278.3000122.7
922D30.6Very low30.4Very low131 Ų131133.7 Ų133.770%0.70174%0.735SS**  113.4147.3129.4-143.424000120.6
923N29.2Very low30.4Very low134 Ų134134.5 Ų134.572%0.71774%0.735SS**  trans-42.1132.3-172.7-83.8-72.2000120.5
924S29.6Very low30.5Very low97 Ų97134 Ų13468%0.67873%0.732SS**  80.2169.1116-1610000119.5
925M32.8Very low30.5Very low155 Ų155135.1 Ų135.176%0.76473%0.731SS**  trans65.599.1177.5-59-164.9-74.300115
926K33Very low30.5Very low167 Ų167134.3 Ų134.373%0.72673%0.732SS**  90.1119.866.6-86.1176.4-177.5174.10112.4
927N27.1Very low30.7Very low129 Ų129131.5 Ų131.569%0.6973%0.732SS**  trans76.6136.3132.2-67.68.1000120.4
928L27Very low30.9Very low151 Ų151128.8 Ų128.879%0.79173%0.727SS**  trans71.6147.7149.8-62.6157.2000116.2
929L27.1Very low30.8Very low134 Ų134128.8 Ų128.870%0.70273%0.727SS**  cis-165.2-159.8-20.1-174.851.1000105.4
930V32.6Very low31Very low117 Ų117127.8 Ų127.871%0.70972%0.723SS**  trans83.388.2159.7-169.80000112.6
931D31.2Very low30.7Very low123 Ų123126.9 Ų126.966%0.65872%0.719SS**  92.514569.1-84.7-49000111.5
932S31.2Very low30.8Very low82 Ų82126.5 Ų126.557%0.57372%0.716SS**  cis-168.4-166.5-14.1-122.30000108.9
933N31.9Very low30.5Very low149 Ų149124.9 Ų124.980%0.79772%0.715SS**  trans85.1140.8160.3-54.5-38.5000116.7
934V34.1Very low30.4Very low105 Ų105126.8 Ų126.864%0.63672%0.72SS**  cis-161.4163.10109.20000112.5
935N34.5Very low30.2Very low139 Ų139127.1 Ų127.174%0.74372%0.722SS**  trans66.2104.7174.2-61.5-25.8000116.7
936T30.6Very low30Very low130 Ų130125.4 Ų125.480%0.79872%0.72SS**  cis77.197.72.375.50000120.4
937S35.6Very low29.7Very low116 Ų116122.6 Ų122.681%0.81172%0.717SS**  trans-174.2142.8140.376.10000108
938T32.4Very low29.8Very low122 Ų122123.6 Ų123.675%0.74872%0.717SS**  cis-147.1145.511.1-66.60000111.8
939C29.4Very low30Very low98 Ų98124.5 Ų124.566%0.66272%0.717SS**  trans-7.7161150.8-62.10000121.4
940N30.5Very low30.3Very low134 Ų134123.5 Ų123.572%0.71772%0.719SS**  cis-166.5148.3-8.3-106.1-2000111.1
941S27.2Very low30.1Very low92 Ų92122.2 Ų122.264%0.64372%0.715SS**  44.3159.7127.2-39.30000124.1
942I28.7Very low29.9Very low152 Ų152123.5 Ų123.578%0.77972%0.722SS**  trans79.8101.5157.5-62.8157.4000116.3
943S25.4Very low29.8Very low96 Ų96125.4 Ų125.467%0.67174%0.735SS**  49.9147.9123.9-48.10000122.8
944Q27.4Very low29.7Very low175 Ų175121.1 Ų121.182%0.81873%0.726SS**  trans69.1103.4148.8-73.3168.53.600118.8
945S25.8Very low29.4Very low104 Ų104122.6 Ų122.673%0.72774%0.735SS**  82.2168118.6810000119.9
946V28Very low28.8Very low119 Ų119125.5 Ų125.572%0.72174%0.742SS**  trans66.390158.31770000116.8
947T26.1Very low28.7Very low108 Ų108127.7 Ų127.766%0.66374%0.743SS**  47.2162121.8-0.90000123.4
948E28.9Very low28.3Very low149 Ų149128.6 Ų128.670%0.69674%0.739SS**  trans77.8107.1150.7-75.7148.3-115.700118.9
949H30.8Very low28.2Very low170 Ų170126 Ų12679%0.78773%0.725SS**  27.8135.9105.3-58.8-61000117.2
950P35.1Very low28.1Very low114 Ų114127.8 Ų127.874%0.7473%0.728SS**  -142144.554.437.5-18.1000114.6
951S27.5Very low28.2Very low89 Ų89128.4 Ų128.462%0.62273%0.732SS**  86.5147.776.399.70000116.1
952N27Very low28.3Very low150 Ų150132.1 Ų132.180%0.80273%0.732SS**  trans50.193142.5-55.6-8.2000120.4
953S30.1Very low28.6Very low123 Ų123132.3 Ų132.386%0.8673%0.734SS**  -169.7146.7108.941.80000109.1
954G28.2Very low28.7Very low58 Ų58133.1 Ų133.160%0.59873%0.727SS**  cis108141.712.800000110.3
955T28.1Very low28.9Very low136 Ų136130.8 Ų130.883%0.83472%0.72SS**  trans61.7130.3-175.841.30000114.3
956F23.3Very low29.1Very low200 Ų200133.5 Ų133.588%0.87772%0.721SS**  50.591.866.2-87.4-95.2000112.9
957E28.2Very low29.1Very low176 Ų176131.9 Ų131.982%0.82272%0.715SS**  -169.1127.9121-97.7173.1-178.600107.1
958N27.2Very low29.2Very low135 Ų135134 Ų13472%0.72272%0.722SS**  85.3148.958.1-168.723000112.3
959S28.6Very low29.2Very low67 Ų67130.8 Ų130.847%0.46972%0.716SS.*  trans55.6114.3156.254.80000119.5
960N28.1Very low29.2Very low136 Ų136129 Ų12973%0.72771%0.712SS**  50.4112.3119.6-45.7-35.1000117.9
961N33.3Very low28.9Very low147 Ų147127.6 Ų127.679%0.78671%0.705SS**  -147.2127.395.2-85.6-53000108.7
962R29.3Very low29Very low170 Ų170128.9 Ų128.964%0.64271%0.705SS**  cis67.3110.147.8-174.4-169174.1-172.7-1.7111.6Q964R962-Q964 HydrophobicContact CG-CB 4.33Å; R962-Q964 VanDerWaalsContact CZ-OE1 3.29Å
963L33.6Very low29.1Very low157 Ų157129.4 Ų129.482%0.82270%0.7SS**  -165.592.8117.2-93.3167.6000105.3
964Q28.3Very low28.9Very low112 Ų112131.6 Ų131.652%0.52369%0.694SS.*  679275.9-172.2177.7-7.700112.3R962R962-Q964 HydrophobicContact CG-CB 4.33Å; R962-Q964 VanDerWaalsContact CZ-OE1 3.29Å
965N30.7Very low28.7Very low126 Ų126134.2 Ų134.267%0.67470%0.695SS**  trans-154.6130.5130.9-90.4-29000106.2
966Q31.4Very low28.6Very low161 Ų161132.5 Ų132.575%0.75269%0.688SS**  52.213285-61.7-172.881.100112
967S27.3Very low28.7Very low86 Ų86128.8 Ų128.860%0.60168%0.676SS**  cis-173.9-166.9-5.5-93.90000105
968L28Very low28.8Very low153 Ų153126.3 Ų126.380%0.80167%0.673SS**  trans48.993.3143.6-72.6161000116.6
969S28Very low28.9Very low81 Ų81125.2 Ų125.257%0.56667%0.667SS**  94.6-17780.764.50000111.5
970D31.6Very low29.2Very low131 Ų131129.2 Ų129.270%0.70168%0.683SS**  trans50.684.1154.3-55.1-43.2000117.4
971S28.9Very low29.3Very low86 Ų86126.4 Ų126.460%0.60167%0.674SS**  93.9175.786.470.80000112.1
972N29.4Very low29.1Very low116 Ų116127 Ų12762%0.6267%0.671SS**  trans63.8112.4157.9-73.4-53.4000115.5
973K28.8Very low29Very low161 Ų161123 Ų12370%0.767%0.669SS**  68.8150.178.1-79.3-165.9-167.9169.80112.4
974F25.7Very low28.6Very low168 Ų168120.5 Ų120.574%0.73766%0.661SS**  trans37.7108.5135.6-64.7-129.9000114.5
975N25Very low28.6Very low114 Ų114125 Ų12561%0.6168%0.679SS**  cis-164.8173.736.5-104.2-16000108.4I977N975-I977 HydrophobicContact CB-CD1 4.42Å
976S25.3Very low28.4Very low100 Ų100123.6 Ų123.670%0.69968%0.675SS**  50.5151.858.2-157.60000112.4
977I25.9Very low28.2Very low122 Ų122123.2 Ų123.263%0.62668%0.677SS**  trans62.1106.8-179.8-41151.4000111.3N975 D979N975-I977 HydrophobicContact CB-CD1 4.42Å; I977-D979 WeakPolarHBondContact CG2-OD2 3.35Å
978T30Very low28.1Very low123 Ų123123 Ų12376%0.75567%0.673SS**  cis-110.2135.832.248.30000111.9
979D29.9Very low28.1Very low112 Ų112123.5 Ų123.560%0.59967%0.672SS**  62135.869.7-46.1-37.5000111.4I977I977-D979 WeakPolarHBondContact CG2-OD2 3.35Å
980L34.2Very low27.9Very low151 Ų151126.6 Ų126.679%0.79169%0.687SS**  cis-113.5149.813.8-90.187.1000111.3
981S30.2Very low27.8Very low77 Ų77124.9 Ų124.954%0.53869%0.691SS.*  51.9132.686.2118.10000112.8
982H29.2Very low28Very low160 Ų160127.4 Ų127.474%0.74170%0.702SS**  cis-141.5144.69.3-99.7-72.8000106.6
983S26.7Very low28Very low85 Ų85128.1 Ų128.159%0.59470%0.702SS**  57152.974.91070000113.8
984V26.9Very low28.4Very low106 Ų106125.6 Ų125.664%0.64270%0.702SS**  trans73.2129.1-178.2177.20000109.6T986V984-T986 VanDerWaalsContact CG1-CB 3.45Å; V984-T986 WeakPolarHBondContact CG1-OG1 3.29Å
985F28.1Very low29.1Very low206 Ų206124 Ų12490%0.90470%0.701SS**  58.4-164.653.7-116.2-85.9000111.1
986T25.2Very low29.4Very low97 Ų97122.1 Ų122.160%0.59569%0.693SS**  trans52.472.5179.6-53.90000113.3V984V984-T986 VanDerWaalsContact CG1-CB 3.45Å; V984-T986 WeakPolarHBondContact CG1-OG1 3.29Å
987L27.2Very low29.8Very low152 Ų152124 Ų12480%0.79670%0.695SS**  80.3-142.1106.6-91.874.3000110.1
988P26.5Very low30Very low81 Ų81124.5 Ų124.553%0.52670%0.698SS.*  -121.1-164.3-90.637.6-25.8000112.7
989Q27Very low30Very low165 Ų165125.8 Ų125.877%0.77170%0.699SS**  trans60112.3148.7-74.7155-8.400116.9
990V25.3Very low29.9Very low146 Ų146127.9 Ų127.989%0.88571%0.705SS**  56.377.963.2-170.30000112.1
991A27.8Very low29.7Very low94 Ų94127.2 Ų127.278%0.77771%0.707SS**  trans-171.9131.6162.100000107.5
992V32.7Very low29.7Very low139 Ų139127.2 Ų127.284%0.84271%0.712SS**  cis-137133.2-0.5177.70000109.6
993H29.6Very low29.9Very low132 Ų132127.7 Ų127.761%0.61171%0.714SS**  trans-78.6144.3171.8-159-130.1000109.7T996H993-T996 PolarHBondContact CE1-N 2.57Å; H993-T996 PolarHBondContact CE1-OG1 2.97Å; H993-T996 PolarHBondContact ND1-OG1 3.46Å; H993-T996 PolarHBondContact NE2-N 2.88Å
994P37.5Very low30.2Very low107 Ų107130.9 Ų130.970%0.69572%0.724SS**  -153.2157.289.539.3-21000115.2
995N40.1Very low30.6Very low136 Ų136131 Ų13173%0.72773%0.728SS**  cis-130.9141.73.2-78.6-68000110.4
996T31.1Very low30.8Very low73 Ų73128.1 Ų128.145%0.44872%0.721SS.*  64.2123.174.6-15.10000111.4H993H993-T996 PolarHBondContact CE1-N 2.57Å; H993-T996 PolarHBondContact CE1-OG1 2.97Å; H993-T996 PolarHBondContact ND1-OG1 3.46Å; H993-T996 PolarHBondContact NE2-N 2.88Å
997L34.8Very low31Very low139 Ų139130.2 Ų130.273%0.72873%0.728SS**  cis-145.9148.936.1-70.3143.4000113.7
998L30.2Very low31.1Very low133 Ų133128 Ų12870%0.69672%0.724SS**  trans44.4145.3131.2-50.2175.4000119.8
999I30.6Very low31.5Very low150 Ų150128.7 Ų128.777%0.76973%0.728SS**  cis-159.1-169.29.7-135.5160.6000109
1000E27.9Very low31.6Very low157 Ų157127.1 Ų127.173%0.73473%0.725SS**  -156.9-179.1-91.9-158162.8-70.100108.1
1001V29.4Very low32Very low136 Ų136125.6 Ų125.682%0.82472%0.72SS**  trans68.8137.9169.4173.90000115.8
1002A30.2Very low32Very low77 Ų77127.3 Ų127.364%0.63672%0.715SS**  cis-171.3166-16.800000106.7
1003E32.5Very low31.9Very low170 Ų170127.4 Ų127.479%0.79471%0.711SS**  cis-157.8-166.4-3.1-133.5-179.3-90.300109.7
1004N34.4Very low32Very low152 Ų152125.2 Ų125.281%0.81370%0.703SS**  trans-134.9131.8160.8-90.5-68000110.4
1005P35.5Very low31.7Very low110 Ų110129.1 Ų129.171%0.71471%0.709SS**  trans-138.5157.915035.1-20.3000114.6
1006L31.5Very low31.4Very low144 Ų144127 Ų12775%0.75470%0.702SS**  cis-170.3154.4-15.9-102.4171.7000107.9
1007L29.7Very low31.5Very low141 Ų141129.5 Ų129.574%0.73872%0.718SS**  trans54.2134.8149.4-60.3164.4000120.2
1008C29.1Very low31.2Very low107 Ų107129.4 Ų129.472%0.72372%0.717SS**  67.2154.456.6-60.30000114.3
1009P35.3Very low31.1Very low95 Ų95130.8 Ų130.862%0.61772%0.724SS**  cis-119.2-173.16.543-28.2000112.9
1010L28.9Very low31Very low132 Ų132127.9 Ų127.969%0.69172%0.718SS**  cis92.2106.213.2-125.8-175.6000117.8I1012L1010-I1012 HydrophobicContact CD2-CD1 3.66Å; L1010-I1012 HydrophobicContact CD2-CG1 3.71Å
1011S32.5Very low31Very low114 Ų114126.1 Ų126.180%0.79772%0.718SS**  trans-172123.7155.4-75.50000106.5
1012I29.4Very low30.9Very low130 Ų130124 Ų12467%0.66771%0.709SS**  cis66.210440.2-50.1177.9000113.3L1010 I1014L1010-I1012 HydrophobicContact CD2-CD1 3.66Å; L1010-I1012 HydrophobicContact CD2-CG1 3.71Å; I1012-I1014 HydrophobicContact CG2-CD1 4.21Å; I1012-I1014 HydrophobicContact CG2-CG1 4.08Å
1013N30.8Very low30.7Very low141 Ų141127.9 Ų127.975%0.75472%0.718SS**  trans-144.5150.2134.1-153.2-16.2000110
1014I30.9Very low30.5Very low85 Ų85124.7 Ų124.744%0.43672%0.715SS.*  trans-119.1148.5-161.5-56.3162.1000108.8I1012I1012-I1014 HydrophobicContact CG2-CD1 4.21Å; I1012-I1014 HydrophobicContact CG2-CG1 4.08Å
1015K32.1Very low30.1Very low190 Ų190122.9 Ų122.983%0.82671%0.714SS**  trans-149.9115.9149.6-123.9164.9-170.9172.80113.8
1016P33Very low29.9Very low90 Ų90122.8 Ų122.858%0.58472%0.716SS**  trans-95.7172.7178.440.2-34.7000111.4
1017T33Very low29.6Very low126 Ų126120.6 Ų120.677%0.77371%0.712SS**  trans179.794.5141.8-75.40000105.6
1018L28.1Very low29.5Very low138 Ų138121.5 Ų121.572%0.72372%0.717SS**  79.9137.775.8-78.1173.9000113.9
1019L27.9Very low29.3Very low161 Ų161121.1 Ų121.184%0.84372%0.716SS**  trans68.1148.8162.8-93.262.3000116.2
1020S29.3Very low29.1Very low90 Ų90121.6 Ų121.663%0.62972%0.721SS**  cis-155.2156.32.350.90000112.5
1021T26.7Very low28.9Very low120 Ų120122.5 Ų122.574%0.73673%0.727SS**  trans21.6142.7141.363.90000119.7
1022S27.8Very low28.5Very low91 Ų91122 Ų12264%0.63672%0.722SS**  cis-162.3161.545.4-36.90000110.5
1023L27.2Very low28.4Very low159 Ų159120.6 Ų120.683%0.83272%0.724SS**  45.3139.687.9-38.9171000114.1
1024S27.2Very low28.2Very low103 Ų103119.6 Ų119.672%0.7273%0.728SS**  cis-162144.98.76.90000113.4
1025S26.4Very low28Very low114 Ų114121.6 Ų121.680%0.79774%0.744SS**  trans-1.4127.2137.457.70000122.5
1026S30.7Very low27.7Very low108 Ų108119.2 Ų119.276%0.75574%0.736SS**  trans-177.1129.2135.551.20000108.9
1027S25.6Very low27.6Very low97 Ų97121.4 Ų121.468%0.67874%0.742SS**  cis87.614131.779.40000115.3
1028L27.7Very low27.4Very low160 Ų160122 Ų12284%0.83873%0.734SS**  trans78.2153172.8-50.4163000115.3
1029S25.3Very low27.3Very low99 Ų99121.8 Ų121.869%0.69273%0.734SS**  cis149.7110.9-39.461.90000111
1030S30.6Very low27.2Very low105 Ų105118.9 Ų118.973%0.73473%0.726SS**  trans-169.7132.2167.646.70000107.6
1031N25.8Very low27.3Very low152 Ų152119.7 Ų119.781%0.81373%0.732SS**  61.6135.869.5-62.71.8000111.5
1032C23.5Very low27.3Very low104 Ų104120.5 Ų120.570%0.70373%0.731SS**  cis-154.6136.35.6-109.50000107.9
1033S26.4Very low27.4Very low100 Ų100122.4 Ų122.470%0.69973%0.734SS**  87.714285.1-61.50000116
1034S26.3Very low27.6Very low119 Ų119121.6 Ų121.683%0.83273%0.726SS**  trans74.2150.1164.8-49.40000116.2
1035T27.3Very low27.7Very low127 Ų127123.2 Ų123.278%0.77973%0.725SS**  cis-128.7164.84.944.10000113.9
1036E26.9Very low27.9Very low140 Ų140124.9 Ų124.965%0.65473%0.725SS**  trans-8.9148149-44-170.185.100118.3K1038E1036-K1038 IonicContact OE1-NZ 2.57Å; E1036-K1038 PolarHBondContact OE1-NZ 3.44Å
1037L30.2Very low27.9Very low136 Ų136127.7 Ų127.771%0.71273%0.726SS**  -148.2146.552.5-79.5165.1000111.2
1038K27.8Very low28Very low138 Ų138130.5 Ų130.560%0.673%0.728SS**  46127.284.9-54.5-169.1-17297.70113.1E1036E1036-K1038 IonicContact OE1-NZ 2.57Å; E1036-K1038 PolarHBondContact OE1-NZ 3.44Å
1039N26.5Very low28.1Very low135 Ų135128.2 Ų128.272%0.72273%0.726SS**  cis-159.6155.68.4-102.3-11.7000111.9
1040S27Very low28.4Very low99 Ų99131 Ų13169%0.69273%0.731SS**  trans44.4147.7138.4-51.20000123.8
1041S30.7Very low28.4Very low107 Ų107133.3 Ų133.375%0.74873%0.731SS**  trans87.4143.3153.7-59.50000118.4
1042L26.8Very low28.5Very low137 Ų137132.8 Ų132.872%0.71773%0.728SS**  cis176.7143-30.9-117.5165.5000106.9
1043L29.2Very low28.9Very low132 Ų132134 Ų13469%0.69173%0.732SS**  trans65.1159.3164.8-49.4170.1000115.4
1044E31.4Very low28.9Very low141 Ų141140.5 Ų140.566%0.65974%0.743SS**  cis-149.5145.6-24.3-109.6170.4135.200106.5
1045I29.3Very low29.2Very low137 Ų137141.1 Ų141.170%0.70373%0.733SS**  47.8121.789.9-51.1-177.2000111.1
1046N30.3Very low29.4Very low150 Ų150141.6 Ų141.680%0.80274%0.736SS**  cis-147.9-174.137.3-142.3-25.2000115.6
1047Q31.6Very low29.5Very low166 Ų166142.2 Ų142.278%0.77674%0.743SS**  trans-100.9179.6-164-162.9167.312.100113.9
1048Q28.1Very low29.8Very low156 Ų156143.3 Ų143.373%0.72974%0.742SS**  trans96.294155-150.271.1-0.100119.5
1049S29.5Very low30Very low112 Ų112146.5 Ų146.578%0.78375%0.752SS**  trans-162.5165134.7-160.40000112.3
1050I32.2Very low30.2Very low158 Ų158148.8 Ų148.881%0.8176%0.755SS**  trans69.384.6174-46.5-178.8000115.5
1051E29.7Very low30.2Very low154 Ų154149.8 Ų149.872%0.7275%0.753SS**  trans-69.1145.4161-52.3164.7126.700111.1
1052N28.5Very low30.2Very low140 Ų140152 Ų15275%0.74975%0.751SS**  169.2155114.9-96.2-78.7000114
1053T32Very low30.2Very low131 Ų131152.9 Ų152.980%0.80476%0.755SS**  trans65.472.2166.655.60000119.2
1054Y25.1Very low30.3Very low235 Ų235151.6 Ų151.692%0.92276%0.758SS**  trans-152.197.8149.8-123.3-79.8000112.1
1055E32.3Very low30.2Very low133 Ų133152.9 Ų152.962%0.62177%0.768SS**  trans175.8131.8149.3-109-63.7-17300110.3L1057E1055-L1057 PolarHBondContact OE2-N 2.82Å
1056T32.1Very low30.2Very low137 Ų137149.2 Ų149.284%0.8476%0.764SS**  trans178.652.4152.8-50.30000108.7
1057L30Very low30.1Very low153 Ų153149.5 Ų149.580%0.80177%0.765SS**  trans-149.470.4170.4-89.6-171000112.8E1055E1055-L1057 PolarHBondContact OE2-N 2.82Å
1058K35.7Very low30Very low158 Ų158147.6 Ų147.669%0.68776%0.761SS**  trans-155.1134.8172.1-108.6-173.3-179.7176.20111.8
1059Y31.1Very low30.1Very low206 Ų206146.7 Ų146.781%0.80876%0.759SS**  trans52.5126.9163.4-66.2-95.9000117
1060F30.8Very low30.3Very low182 Ų182147.5 Ų147.580%0.79876%0.755SS**  cis66.1117.514.6-112.3-70.6000115.9
1061N27.8Very low30.4Very low120 Ų120145.4 Ų145.464%0.64275%0.75SS**  trans70.9150172.4-7927.6000120.5
1062E30.7Very low30.5Very low153 Ų153145.4 Ų145.472%0.71575%0.749SS**  trans46.5121.8167-69.5120.8-12200118.8
1063I25.9Very low30.7Very low156 Ų156145.2 Ų145.280%0.875%0.747SS**  65.276.250.6-48.7174.7000113
1064S31.4Very low30.6Very low106 Ų106143.2 Ų143.274%0.74174%0.738SS**  trans-168123.8144.5-840000108.6
1065L30.1Very low30.9Very low168 Ų168138.1 Ų138.188%0.8873%0.727SS**  69.471.979.4-81.7157.6000114.7
1066G28.6Very low30.8Very low59 Ų59138.8 Ų138.861%0.60873%0.73SS**  85.6137.710900000120.1
1067N28.8Very low31Very low156 Ų156138.4 Ų138.483%0.83472%0.719SS**  trans74.6155.9154.6-46.2-20.7000115
1068N29.5Very low31.1Very low127 Ų127137.2 Ų137.268%0.67971%0.713SS**  cis-156.1170.74.6-144-8.2000112.1
1069I31.2Very low30.9Very low136 Ų136133.8 Ų133.870%0.69771%0.709SS**  trans70.8138.3153.2-70.2159.1000114.9
1070D32.9Very low31Very low130 Ų130129.5 Ų129.570%0.69570%0.704SS**  cis-144164.120.8-146.9-20.6000114.8
1071T34.3Very low30.9Very low114 Ų114126.7 Ų126.770%0.69970%0.702SS**  trans66.3135165.972.70000117.9
1072H32.5Very low31.2Very low153 Ų153126 Ų12671%0.70870%0.704SS**  cis-157.5132.1-8.6-138.9-124.2000109.9
1073I30.9Very low31.1Very low137 Ų137125.3 Ų125.370%0.70370%0.704SS**  trans46.4124.6142-59.3-172.5000118.2
1074S31Very low31.3Very low88 Ų88124.1 Ų124.162%0.61570%0.699SS**  cis-158.8154.723.3-136.50000113.4
1075N30.4Very low31Very low128 Ų128126 Ų12668%0.68470%0.701SS**  trans43.5141.4137.6-62.410.8000121.1
1076Q32Very low31.2Very low147 Ų147123.4 Ų123.469%0.68770%0.697SS**  cis-172.2161.16-110.9168.9-75.300106.4
1077E34.7Very low31Very low130 Ų130130.9 Ų130.961%0.60771%0.708SS**  cis-165.1168.3-8-151.1177.1-71.200108.8
1078N32.1Very low31.3Very low127 Ų127129 Ų12968%0.67970%0.698SS**  trans64.9136.3157.3-66.8-39.9000121.3
1079S32.1Very low31.4Very low87 Ų87130.6 Ų130.661%0.60870%0.701SS**  cis-162.9148.4-8.1-135.30000113.1
1080T33Very low31.2Very low116 Ų116130.8 Ų130.871%0.71270%0.703SS**  trans45.8111.5130.4-47.80000118.8
1081V28.4Very low31.1Very low123 Ų123130.7 Ų130.775%0.74571%0.707SS**  cis68.8151.922.6-158.70000112.8
1082P34.9Very low30.9Very low106 Ų106129.5 Ų129.569%0.68870%0.703SS**  cis-128-148.8-21.924.33000113.3
1083I28.4Very low30.8Very low138 Ų138129.2 Ų129.271%0.70871%0.706SS**  trans115.5105.3142.2-67.3165.5000121.5
1084N29.3Very low30.7Very low131 Ų131130 Ų13070%0.70171%0.705SS**  54.8131.6129.5-51.6-1.5000126.9
1085N26.2Very low30.7Very low145 Ų145131.4 Ų131.478%0.77570%0.701SS**  44.6113.7127.9-53.7-3.2000123.7
1086S33.4Very low30.5Very low114 Ų114128.6 Ų128.680%0.79768%0.684SS**  -172.1141.1114.5-79.10000108.7
1087Y25.3Very low30.5Very low215 Ų215127.2 Ų127.284%0.84368%0.681SS**  76.6149.363.5-110.1-88.1000114.7
1088D34.1Very low30Very low117 Ų117125.9 Ų125.963%0.62669%0.685SS**  trans74.5119.9-177.1-64.3-30.9000116.2
1089Q32Very low29.9Very low160 Ų160125 Ų12575%0.74869%0.685SS**  76.914368.1-76.3-170.283.300112.5
1090L27.2Very low29.5Very low140 Ų140127.7 Ų127.773%0.73369%0.69SS**  cis-169.8179.4-19.3-122.8176.3000106.5
1091V30.3Very low29.3Very low129 Ų129132 Ų13278%0.78270%0.695SS**  trans69.5146167.3-166.60000114.8
1092S30.7Very low29.2Very low89 Ų89132.3 Ų132.362%0.62269%0.693SS**  cis-144.1138.4-21.5-107.60000106.6
1093L29.4Very low28.7Very low146 Ų146132.1 Ų132.176%0.76469%0.693SS**  63.3126.280.1-79.2170000116.7
1094K30.5Very low28.7Very low154 Ų154131.5 Ų131.567%0.6769%0.691SS**  trans73.8145152.7-65.5170.2158.5-78.70117.6
1095E29.2Very low28.6Very low117 Ų117130 Ų13055%0.54768%0.683SS.*  cis-150.8179.1-8.9-125152.5-178.700112.4M451M451-E1095 HydrophobicContact CE-CB 3.61Å; M451-E1095 HydrophobicContact CE-CG 3.49Å; M451-E1095 VanDerWaalsContact CE-CG 3.49Å
1096E28.2Very low28.9Very low69 Ų69132.1 Ų132.132%0.32269%0.685SS.*  trans-79.2166.7-161.3-32.795.3-148.700116.2M451 S452M451-E1096 WeakPolarHBondContact CA-OE2 3.22Å; M451-E1096 WeakPolarHBondContact CB-OE2 3.48Å; M451-E1096 WeakPolarHBondContact CE-OE2 3.36Å; M451-E1096 HydrophobicContact CG-CB 4.17Å; M451-E1096 VanDerWaalsContact CG-O 3.29Å; M451-E1096 WeakPolarHBondContact CG-O 3.3Å; M451-E1096 WeakPolarHBondContact CG-OE2 3.25Å; S452-E1096 PolarHBondContact N-OE2 2.72Å; S452-E1096 WeakPolarHBondContact O-CG 3.25Å; S452-E1096 VanDerWaalsContact O-OE2 3.04Å
1097N30.6Very low28.6Very low118 Ų118132.5 Ų132.563%0.63167%0.673SS**  trans-160.4118.4158.8-94.8-39.4000112.1Q450Q450-N1097 WeakPolarHBondContact CB-OD1 3.38Å; Q450-N1097 WeakPolarHBondContact CG-OD1 3.35Å; Q450-N1097 PolarHBondContact NE2-OD1 2.9Å; Q450-N1097 VanDerWaalsContact NE2-OD1 3.17Å; Q450-N1097 PolarHBondContact OE1-OD1 3.27Å
1098C24.3Very low28.8Very low102 Ų102130.8 Ų130.869%0.68967%0.672SS**  trans-88123.6176.8177.30000111.6Q450Q450-C1098 PolarHBondContact NE2-O 2.97Å; Q450-C1098 PolarHBondContact OE1-O 3.47Å
1099V29.7Very low28.6Very low110 Ų110130.1 Ų130.167%0.66768%0.677SS**  trans-139.3141.3175.6-174.90000112.2Y1101V1099-Y1101 HydrophobicContact CG1-CD2 4.01Å; V1099-Y1101 HydrophobicContact CG1-CE2 3.93Å
1100I24.2Very low28.5Very low142 Ų142127.5 Ų127.573%0.72868%0.677SS**  trans-94.9119.1-179.8-58.4159.6000110.4
1101Y28.6Very low28.6Very low206 Ų206127.2 Ų127.281%0.80868%0.681SS**  trans-148.6121.5153.4-77.8-78.1000108.5V1099V1099-Y1101 HydrophobicContact CG1-CD2 4.01Å; V1099-Y1101 HydrophobicContact CG1-CE2 3.93Å
1102N26.3Very low28.4Very low130 Ų130125.9 Ų125.970%0.69568%0.677SS**  74.6124.860.1-88.41.3000116.6
1103C24.2Very low28.3Very low102 Ų102129.8 Ų129.869%0.68969%0.685SS**  trans77.5117.1136.9-70.60000123
1104D29.9Very low28.4Very low126 Ų126130.2 Ų130.267%0.67469%0.688SS**  82.4107.6121.4-73.4-66.9000124.2
1105N26.6Very low28.5Very low100 Ų100127.5 Ų127.554%0.53569%0.689SS.*  46.6114.9116.5-75.3-63.5000121.5
1106K31.8Very low28.9Very low188 Ų188130.1 Ų130.182%0.81770%0.701SS**  -171.5134.4117.2-98.8156.9-178.5178.20109.7
1107F27.5Very low29.1Very low122 Ų122134.6 Ų134.654%0.53572%0.721SS.*  52.2139.289-81.8-59.3000113.5F1137F1107-F1137 HydrophobicContact CB-CE2 4.44Å; F1107-F1137 AromaticContact CD1-CD2 3.76Å; F1107-F1137 HydrophobicContact CD1-CD2 3.76Å; F1107-F1137 AromaticContact CD1-CE2 3.58Å; F1107-F1137 HydrophobicContact CD1-CE2 3.58Å; F1107-F1137 HydrophobicContact CD1-CZ 4.27Å; F1107-F1137 HydrophobicContact CD2-CD2 4.28Å; F1107-F1137 AromaticContact CD2-CE1 3.93Å; F1107-F1137 HydrophobicContact CD2-CE1 3.93Å; F1107-F1137 AromaticContact CD2-CE2 3.54Å; F1107-F1137 HydrophobicContact CD2-CE2 3.54Å; F1107-F1137 AromaticContact CD2-CZ 3.35Å; F1107-F1137 HydrophobicContact CD2-CZ 3.35Å; F1107-F1137 HydrophobicContact CE1-CD1 4.36Å; F1107-F1137 AromaticContact CE1-CD2 3.41Å; F1107-F1137 HydrophobicContact CE1-CD2 3.41Å; F1107-F1137 VanDerWaalsContact CE1-CD2 3.41Å; F1107-F1137 AromaticContact CE1-CE2 3.65Å; F1107-F1137 HydrophobicContact CE1-CE2 3.65Å; F1107-F1137 AromaticContact CE1-CG 3.84Å; F1107-F1137 HydrophobicContact CE1-CG 3.84Å; F1107-F1137 HydrophobicContact CE1-CZ 4.24Å; F1107-F1137 AromaticContact CE2-CD1 3.77Å; F1107-F1137 HydrophobicContact CE2-CD1 3.77Å; F1107-F1137 AromaticContact CE2-CD2 3.97Å; F1107-F1137 HydrophobicContact CE2-CD2 3.97Å; F1107-F1137 AromaticContact CE2-CE1 3.37Å; F1107-F1137 HydrophobicContact CE2-CE1 3.37Å; F1107-F1137 AromaticContact CE2-CE2 3.6Å; F1107-F1137 HydrophobicContact CE2-CE2 3.6Å; F1107-F1137 HydrophobicContact CE2-CG 4.09Å; F1107-F1137 AromaticContact CE2-CZ 3.31Å; F1107-F1137 HydrophobicContact CE2-CZ 3.31Å; F1107-F1137 HydrophobicContact CG-CD2 4.2Å; F1107-F1137 AromaticContact CG-CE2 3.54Å; F1107-F1137 HydrophobicContact CG-CE2 3.54Å; F1107-F1137 AromaticContact CG-CZ 3.87Å; F1107-F1137 HydrophobicContact CG-CZ 3.87Å; F1107-F1137 HydrophobicContact CZ-CB 4.47Å; F1107-F1137 AromaticContact CZ-CD1 3.62Å; F1107-F1137 HydrophobicContact CZ-CD1 3.62Å; F1107-F1137 AromaticContact CZ-CD2 3.52Å; F1107-F1137 HydrophobicContact CZ-CD2 3.52Å; F1107-F1137 AromaticContact CZ-CE1 3.75Å; F1107-F1137 HydrophobicContact CZ-CE1 3.75Å; F1107-F1137 AromaticContact CZ-CE2 3.66Å; F1107-F1137 HydrophobicContact CZ-CE2 3.66Å; F1107-F1137 AromaticContact CZ-CG 3.55Å; F1107-F1137 HydrophobicContact CZ-CG 3.55Å; F1107-F1137 AromaticContact CZ-CZ 3.79Å; F1107-F1137 HydrophobicContact CZ-CZ 3.79Å
1108Q29.9Very low29.1Very low179 Ų179135.5 Ų135.584%0.83672%0.722SS**  cis-155.6-177.432.4-141.1163.227.300114.2
1109S28.8Very low29.7Very low103 Ų103138.3 Ų138.372%0.7273%0.725SS**  trans-133.4145.8-164.459.40000115.3
1110S31.1Very low29.6Very low106 Ų106138.6 Ų138.674%0.74173%0.727SS**  trans-165.1138.5154390000108.7
1111T28.4Very low30Very low134 Ų134138.1 Ų138.182%0.82273%0.73SS**  cis67.2131.747.469.50000113.1
1112S27.6Very low30.1Very low100 Ų100133.8 Ų133.870%0.69973%0.73SS**  cis-159152.816.949.30000114.2
1113E27.7Very low30.7Very low171 Ų171133.2 Ų133.280%0.79974%0.736SS**  trans35.6125.1140.5-56.3-177.9155.700122.1
1114N32.2Very low31.1Very low155 Ų155138.7 Ų138.783%0.82975%0.748SS**  -169.9122.3112.1-107.8-66.5000116.7
1115S31.6Very low31.5Very low97 Ų97137.9 Ų137.968%0.67875%0.752SS**  trans55.9157.5132.6-122.80000126.3
1116H37.3Very low31.9Very low172 Ų172142.6 Ų142.680%0.79677%0.768SS**  trans79.869.7155-76.849.3000122.5
1117H32.3Very low32.3Very low163 Ų163138.5 Ų138.576%0.75576%0.761SS**  49.6105.8106.6-153.563.1000121
1118Q32.3Very low32.6Very low138 Ų138137.6 Ų137.665%0.64577%0.767SS**  157.6153.4116.8-81.6-146.515.700116.5
1119Q35.6Very low33Very low160 Ų160135.2 Ų135.275%0.74877%0.767SS**  trans66.7118.8156.1-71.317755.500123.2
1120T27.7Very low33.1Very low116 Ų116137.5 Ų137.571%0.71277%0.77SS**  trans1.6150.5137.637.40000120.7
1121V33Very low33Very low133 Ų133141.2 Ų141.281%0.80677%0.773SS**  cis-148.1165.831.4-133.20000115.4
1122S31.6Very low33.1Very low115 Ų115141.6 Ų141.680%0.80477%0.769SS**  trans-7.3124.7163.1-59.70000121.5
1123S37.7Very low33.1Very low117 Ų117144.1 Ų144.182%0.81877%0.77SS**  -147.3163.212667.70000110.4
1124K32Very low33.2Very low218 Ų218140.4 Ų140.495%0.94876%0.763SS**  trans-116.5104.5-175.1-70.1173.9-173.5160.10111.3
1125S39.3Very low33.2Very low108 Ų108139.6 Ų139.676%0.75576%0.759SS**  trans-132.7161.5158.467.30000109.6
1126K34.3Very low33.1Very low200 Ų200139.6 Ų139.687%0.8776%0.755SS**  trans-141.892.2178.1-169.8-165.6173.8-162.30110.7
1127P39.8Very low32.9Very low101 Ų101136 Ų13666%0.65674%0.737SS**PPolyproline II helixtrans-64.9163.7174.8-20.733.9000113.2
1128P34.4Very low32.8Very low103 Ų103134.6 Ų134.667%0.66974%0.735SS**PPolyproline II helixtrans-79.9159.1175.134.6-35.5000112.2
1129P37.7Very low32.5Very low130 Ų130138.4 Ų138.484%0.84475%0.745SS**PPolyproline II helixtrans-82.8120.317032.4-30.3000110.9
1130L31.2Very low32.3Very low150 Ų150135.1 Ų135.179%0.78574%0.74SS**  trans-120.8124.1170.8-75.8174.6000110.8
1131K29.5Very low32.4Very low184 Ų184136.6 Ų136.680%0.874%0.742SS**  trans53.9142.3139.1-91.5-171.2176.4-171.40122.8
1132L30.4Very low32.4Very low142 Ų142137.8 Ų137.874%0.74374%0.742SS**  trans71.8157.9153.5-57.7156.3000118.3
1133Q27.4Very low32.3Very low154 Ų154138.2 Ų138.272%0.7274%0.735SS**  cis-165.9143.5-38.2-175.2170-47.600109.8
1134S30.5Very low32.2Very low93 Ų93140.3 Ų140.365%0.6573%0.73SS**  trans47.9176.1163.667.10000118.3
1135D31.6Very low32.4Very low137 Ų137137.1 Ų137.173%0.73372%0.723SS**  cis-127.5140.99.8-57.8-51.3000111.6
1136V30.4Very low31.9Very low98 Ų98138.1 Ų138.159%0.59472%0.718SS**  56.6116.594.9-169.70000117
1137F31.5Very low31.5Very low97 Ų97135.4 Ų135.443%0.42571%0.709SS.*  -175.2159.3116.8-103.2-68.2000114.3F1107F1107-F1137 HydrophobicContact CB-CE2 4.44Å; F1107-F1137 AromaticContact CD1-CD2 3.76Å; F1107-F1137 HydrophobicContact CD1-CD2 3.76Å; F1107-F1137 AromaticContact CD1-CE2 3.58Å; F1107-F1137 HydrophobicContact CD1-CE2 3.58Å; F1107-F1137 HydrophobicContact CD1-CZ 4.27Å; F1107-F1137 HydrophobicContact CD2-CD2 4.28Å; F1107-F1137 AromaticContact CD2-CE1 3.93Å; F1107-F1137 HydrophobicContact CD2-CE1 3.93Å; F1107-F1137 AromaticContact CD2-CE2 3.54Å; F1107-F1137 HydrophobicContact CD2-CE2 3.54Å; F1107-F1137 AromaticContact CD2-CZ 3.35Å; F1107-F1137 HydrophobicContact CD2-CZ 3.35Å; F1107-F1137 HydrophobicContact CE1-CD1 4.36Å; F1107-F1137 AromaticContact CE1-CD2 3.41Å; F1107-F1137 HydrophobicContact CE1-CD2 3.41Å; F1107-F1137 VanDerWaalsContact CE1-CD2 3.41Å; F1107-F1137 AromaticContact CE1-CE2 3.65Å; F1107-F1137 HydrophobicContact CE1-CE2 3.65Å; F1107-F1137 AromaticContact CE1-CG 3.84Å; F1107-F1137 HydrophobicContact CE1-CG 3.84Å; F1107-F1137 HydrophobicContact CE1-CZ 4.24Å; F1107-F1137 AromaticContact CE2-CD1 3.77Å; F1107-F1137 HydrophobicContact CE2-CD1 3.77Å; F1107-F1137 AromaticContact CE2-CD2 3.97Å; F1107-F1137 HydrophobicContact CE2-CD2 3.97Å; F1107-F1137 AromaticContact CE2-CE1 3.37Å; F1107-F1137 HydrophobicContact CE2-CE1 3.37Å; F1107-F1137 AromaticContact CE2-CE2 3.6Å; F1107-F1137 HydrophobicContact CE2-CE2 3.6Å; F1107-F1137 HydrophobicContact CE2-CG 4.09Å; F1107-F1137 AromaticContact CE2-CZ 3.31Å; F1107-F1137 HydrophobicContact CE2-CZ 3.31Å; F1107-F1137 HydrophobicContact CG-CD2 4.2Å; F1107-F1137 AromaticContact CG-CE2 3.54Å; F1107-F1137 HydrophobicContact CG-CE2 3.54Å; F1107-F1137 AromaticContact CG-CZ 3.87Å; F1107-F1137 HydrophobicContact CG-CZ 3.87Å; F1107-F1137 HydrophobicContact CZ-CB 4.47Å; F1107-F1137 AromaticContact CZ-CD1 3.62Å; F1107-F1137 HydrophobicContact CZ-CD1 3.62Å; F1107-F1137 AromaticContact CZ-CD2 3.52Å; F1107-F1137 HydrophobicContact CZ-CD2 3.52Å; F1107-F1137 AromaticContact CZ-CE1 3.75Å; F1107-F1137 HydrophobicContact CZ-CE1 3.75Å; F1107-F1137 AromaticContact CZ-CE2 3.66Å; F1107-F1137 HydrophobicContact CZ-CE2 3.66Å; F1107-F1137 AromaticContact CZ-CG 3.55Å; F1107-F1137 HydrophobicContact CZ-CG 3.55Å; F1107-F1137 AromaticContact CZ-CZ 3.79Å; F1107-F1137 HydrophobicContact CZ-CZ 3.79Å
1138N30.8Very low31.1Very low133 Ų133138.4 Ų138.471%0.71171%0.714SS**  trans-87.8165.6-170.1-76.1-46.5000113.2
1139Y27.1Very low30.9Very low217 Ų217137.9 Ų137.985%0.85171%0.713SS**  -167.217468.3-129.6-94.7000116.8
1140S30Very low30.5Very low91 Ų91137.9 Ų137.964%0.63671%0.706SS**  trans-58.8171.5165.4-153.40000112
1141I29.8Very low30.5Very low147 Ų147139.3 Ų139.375%0.75471%0.706SS**  cis-154.6167.437.3-11.7178.8000107.9
1142I33.1Very low30.6Very low158 Ų158135.2 Ų135.281%0.8170%0.7SS**  cis-151.8156.847.5-69.7178.6000110.1
1143N30.1Very low30.5Very low124 Ų124135.4 Ų135.466%0.66370%0.7SS**  trans-98.3151176.5-92.8-70.6000114.8
1144K35.2Very low30.6Very low162 Ų162136.2 Ų136.270%0.70470%0.704SS**  trans23.8140.1136.3-50.5169.5-173.5176.90121.6
1145D35.4Very low30.9Very low150 Ų150139.2 Ų139.280%0.80271%0.705SS**  -119.5131.7113.5-77.2-56.6000106.5
1146I29.2Very low31Very low129 Ų129135.2 Ų135.266%0.66269%0.688SS**  69.4134.357.9-61.5172.9000111.6
1147E27.4Very low31.2Very low144 Ų144134.9 Ų134.967%0.67369%0.686SS**  cis172.2139.1-38.7-114.7-157.391.400105.7
1148Q30.9Very low31.2Very low163 Ų163135.1 Ų135.176%0.76270%0.698SS**  trans67.5156.1162.9-52.5171.833.300115.8
1149S30.3Very low31.1Very low92 Ų92140.6 Ų140.664%0.64371%0.708SS**  cis-151.7155.211.281.40000113.8
1150N28Very low31.3Very low131 Ų131134 Ų13470%0.70170%0.699SS**  trans32.8144.4134.2-59.4-47.4000121.3
1151K31.1Very low31.6Very low180 Ų180135.9 Ų135.978%0.78371%0.709SS**  cis-170.6159.27.9-119171.1-174174.30111.7
1152S32.2Very low31.7Very low97 Ų97138.5 Ų138.568%0.67872%0.715SS**  trans103.3114.5153.6-57.40000118
1153I29.5Very low32.1Very low147 Ų147135.2 Ų135.275%0.75471%0.707SS**  70.7123.589.6-62.6161.6000111.6
1154E29.5Very low32.5Very low171 Ų171132.9 Ų132.980%0.79970%0.704SS**  cis-147.3-141.727.3-148.2145.3-12800117.5
1155K34.9Very low32.6Very low155 Ų155128.4 Ų128.467%0.67469%0.688SS**  trans-150.9174.6-130.2-155.7174.6-175.5177.60118.3P341 S342P341-K1155 WeakPolarHBondContact CB-O 3.22Å; S342-K1155 WeakPolarHBondContact OG-CA 3.46Å; S342-K1155 PolarHBondContact OG-N 3.43Å; S342-K1155 PolarHBondContact OG-O 2.7Å
1156S33.6Very low32.9Very low54 Ų54125 Ų12538%0.37868%0.68SS.*  trans66.2130.7177.2710000116.8P341 S342P341-S1156 CarbonylContact C-O 3.26Å; P341-S1156 WeakPolarHBondContact CB-O 3.26Å; S342-S1156 CarbonylContact C-O 3.58Å; S342-S1156 WeakPolarHBondContact CA-O 3.42Å; S342-S1156 WeakPolarHBondContact CB-O 3.34Å; S342-S1156 PolarHBondContact N-O 2.67Å; S342-S1156 CarbonylContact O-C 3.37Å; S342-S1156 PolarHBondContact OG-O 3.08Å
1157T35.3Very low33.3Very low90 Ų90121.6 Ų121.655%0.55267%0.672SS**  cis-148.615544.3-61.20000115.3S342S342-T1157 VanDerWaalsContact C-N 3.25Å; S342-T1157 PolarHBondContact O-N 3.28Å
1158P31Very low34Very low102 Ų102119.5 Ų119.566%0.66267%0.665SS**  trans-120178.9-168.143.4-32.9000117.4L343L343-P1158 HydrophobicContact CD1-CB 4.4Å
1159R28.8Very low34.7Very low248 Ų248120.4 Ų120.494%0.93666%0.662SS**  trans-143.6120.5171.3-154.2176.6-165.9-144.24117.5
1160A32Very low35Very low80 Ų80120.4 Ų120.466%0.66166%0.661SS**  trans24.5130.5155.100000124.3
1161P36.1Very low35.4Very low130 Ų130122.9 Ų122.984%0.84467%0.666SS**  trans-103127161.135.8-28.4000114.9
1162F32.7Very low35.8Very low201 Ų201123.2 Ų123.288%0.88267%0.667SS**  trans-75.7164.3161.4-73.8-96.6000110.6
1163S41.2Very low36.3Very low90 Ų90128.5 Ų128.563%0.62967%0.672SS**  cis-157.4164.9-9.3165.10000108.1D1165S1163-D1165 VanDerWaalsContact C-N 3.27Å; S1163-D1165 PolarHBondContact O-N 3.18Å; S1163-D1165 VanDerWaalsContact O-N 3.12Å
1164A38.7Very low36.8Very low74 Ų74130.8 Ų130.861%0.61268%0.677SS**THydrogen-bonded Turntrans-61.1-21.1-170.500000116.3A1166 A1167A1164-A1166 PolarHBondContact O-N 2.96Å; A1164-A1166 VanDerWaalsContact O-N 3.17Å; A1164-A1167 WeakPolarHBondContact O-CB 3.43Å; A1164-A1167 PolarHBondContact O-N 3.45Å; A1164-A1167 VanDerWaalsContact O-N 3.08Å
1165D37.3Very low37.7Very low69 Ų69127.9 Ų127.937%0.36966%0.662SS.*Hα-helixtrans-63.5-25.1-172.6-17346.4000114.2S1163 A1167 N1168 R1169S1163-D1165 VanDerWaalsContact C-N 3.27Å; S1163-D1165 PolarHBondContact O-N 3.18Å; S1163-D1165 VanDerWaalsContact O-N 3.12Å; D1165-A1167 PolarHBondContact O-N 3.4Å; D1165-N1168 PolarHBondContact O-N 2.65Å; D1165-R1169 WeakPolarHBondContact O-CG 3.38Å; D1165-R1169 PolarHBondContact O-N 2.89Å; D1165-R1169 IonicContact OD2-CZ 2.75Å; D1165-R1169 IonicContact OD2-NE 2.97Å; D1165-R1169 PolarHBondContact OD2-NE 3.22Å; D1165-R1169 IonicContact OD2-NH2 4Å; D1165-R1169 PolarHBondContact OD2-NH2 3.11Å
1166A41.2Very low38.4Very low77 Ų77125.7 Ų125.764%0.63666%0.657SS**Hα-helixtrans-61.4-31.6174.900000113A1164A1164-A1166 PolarHBondContact O-N 2.96Å; A1164-A1166 VanDerWaalsContact O-N 3.17Å
1167A37.6Very low39.4Very low58 Ų58130.8 Ų130.848%0.47968%0.675SS.*Hα-helixtrans-69.9-45.5174.700000111.2A1164 D1165 R1169 C1170A1164-A1167 WeakPolarHBondContact O-CB 3.43Å; A1164-A1167 PolarHBondContact O-N 3.45Å; A1164-A1167 VanDerWaalsContact O-N 3.08Å; D1165-A1167 PolarHBondContact O-N 3.4Å; A1167-R1169 VanDerWaalsContact C-N 3.32Å; A1167-R1169 PolarHBondContact O-N 2.98Å; A1167-C1170 VanDerWaalsContact O-CB 3.32Å; A1167-C1170 WeakPolarHBondContact O-CB 3.43Å; A1167-C1170 PolarHBondContact O-N 3.39Å
1168N42.3Very low40.8Very low101 Ų101131.1 Ų131.154%0.5468%0.677SS.*Hα-helixtrans-61.3-38.7-179.9-66.1-22.1000112.1D1165 C1170 F1171 K1172D1165-N1168 PolarHBondContact O-N 2.65Å; N1168-C1170 PolarHBondContact O-N 2.96Å; N1168-F1171 PolarHBondContact O-N 2.98Å; N1168-K1172 PolarHBondContact O-N 2.7Å
1169R45.5Very low42.4Very low182 Ų182128.9 Ų128.969%0.68766%0.661SS**Hα-helixtrans-65.5-23.9174.8-66.2-177.7-165.3-146.64.8113.5D1165 A1167D1165-R1169 WeakPolarHBondContact O-CG 3.38Å; D1165-R1169 PolarHBondContact O-N 2.89Å; D1165-R1169 IonicContact OD2-CZ 2.75Å; D1165-R1169 IonicContact OD2-NE 2.97Å; D1165-R1169 PolarHBondContact OD2-NE 3.22Å; D1165-R1169 IonicContact OD2-NH2 4Å; D1165-R1169 PolarHBondContact OD2-NH2 3.11Å; A1167-R1169 VanDerWaalsContact C-N 3.32Å; A1167-R1169 PolarHBondContact O-N 2.98Å
1170C36.4Very low43.9Very low92 Ų92123 Ų12362%0.62265%0.645SS**Hα-helixtrans-73.5-29.5176-153.80000112.7A1167 N1168A1167-C1170 VanDerWaalsContact O-CB 3.32Å; A1167-C1170 WeakPolarHBondContact O-CB 3.43Å; A1167-C1170 PolarHBondContact O-N 3.39Å; N1168-C1170 PolarHBondContact O-N 2.96Å
1171F37Very low45.5Very low183 Ų183123.7 Ų123.780%0.80364%0.637SS**Hα-helixtrans-83.5-16.1175.5-75.8-80.8000114.1N1168 R1173N1168-F1171 PolarHBondContact O-N 2.98Å; F1171-R1173 PolarHBondContact O-N 3.19Å
1172K38.5Very low46.8Very low186 Ų186121.1 Ų121.181%0.80962%0.615SS**  trans-72.665.1172.9-91-177.4172.3174.40113.1N1168N1168-K1172 PolarHBondContact O-N 2.7Å
1173R43.1Very low48.2Very low209 Ų209114.8 Ų114.879%0.78959%0.591SS**SBendtrans-107.9132.5154.8-69.6-175.1-177.6142.29.2107.7F1171 F1175F1171-R1173 PolarHBondContact O-N 3.19Å; R1173-F1175 PolarHBondContact O-N 2.93Å; R1173-F1175 VanDerWaalsContact O-N 3.15Å
1174K40.8Very low49.4Very low195 Ų195114.5 Ų114.585%0.84859%0.594SS**  trans-42118.2-172.3-77.6178.2161.2-78.40111.8
1175F47.7Very low50.6Low110 Ų110118.9 Ų118.948%0.48260%0.602SS.*  trans-59.7138.8144.1-97-112000107.7R1173 T1179 E1180 L1183R1173-F1175 PolarHBondContact O-N 2.93Å; R1173-F1175 VanDerWaalsContact O-N 3.15Å; F1175-T1179 WeakPolarHBondContact CD1-OG1 3.45Å; F1175-E1180 HydrophobicContact CB-CG 4.13Å; F1175-E1180 HydrophobicContact CD1-CG 4.07Å; F1175-E1180 HydrophobicContact CG-CG 4.37Å; F1175-L1183 HydrophobicContact CD1-CD1 4.39Å; F1175-L1183 HydrophobicContact CE1-CD1 3.39Å; F1175-L1183 HydrophobicContact CE1-CG 3.79Å; F1175-L1183 HydrophobicContact CZ-CD1 3.65Å; F1175-L1183 HydrophobicContact CZ-CG 4.45Å
1176D50.1Low51.7Low109 Ų109117.6 Ų117.658%0.58359%0.594SS**  trans-80.3151161.9-67.2-46.1000108T1178 T1179 E1180D1176-T1178 PolarHBondContact O-N 3.17Å; D1176-T1179 PolarHBondContact N-OG1 3.1Å; D1176-T1179 WeakPolarHBondContact O-CA 3.37Å; D1176-T1179 WeakPolarHBondContact O-CB 3.47Å; D1176-T1179 PolarHBondContact O-N 3.16Å; D1176-T1179 PolarHBondContact O-OG1 3.2Å; D1176-E1180 PolarHBondContact O-N 3.19Å
1177E53.8Low52.9Low161 Ų161118.3 Ų118.375%0.75259%0.587SS**Hα-helixtrans-63.1-26.7-173.1-163.4162.4-160.100112.5N1181E1177-N1181 WeakPolarHBondContact O-CB 3.42Å; E1177-N1181 PolarHBondContact O-N 2.83Å; E1177-N1181 PolarHBondContact O-ND2 3.28Å
1178T64Low53.7Low97 Ų97120.1 Ų120.160%0.59559%0.585SS**Hα-helixtrans-64.8-41.1166.943.30000112.7D1176 I1182D1176-T1178 PolarHBondContact O-N 3.17Å; T1178-I1182 WeakPolarHBondContact O-CB 3.31Å; T1178-I1182 WeakPolarHBondContact O-CD1 3.44Å; T1178-I1182 WeakPolarHBondContact O-CG1 3.3Å; T1178-I1182 PolarHBondContact O-N 2.95Å
1179T65.9Low54.7Low54 Ų54126 Ų12633%0.33160%0.599SS.*Hα-helixtrans-71.2-32.8174.734.30000113.2F1175 D1176 I1182 L1183F1175-T1179 WeakPolarHBondContact CD1-OG1 3.45Å; D1176-T1179 PolarHBondContact N-OG1 3.1Å; D1176-T1179 WeakPolarHBondContact O-CA 3.37Å; D1176-T1179 WeakPolarHBondContact O-CB 3.47Å; D1176-T1179 PolarHBondContact O-N 3.16Å; D1176-T1179 PolarHBondContact O-OG1 3.2Å; T1179-I1182 PolarHBondContact O-N 2.96Å; T1179-L1183 WeakPolarHBondContact O-CG 3.18Å; T1179-L1183 PolarHBondContact O-N 2.89Å
1180E61.1Low55.7Low125 Ų125126.4 Ų126.458%0.58460%0.601SS**Hα-helixtrans-67.4-43171.9-101.2177.8-174.200111.4F1175 D1176 I1182 L1183 A1184F1175-E1180 HydrophobicContact CB-CG 4.13Å; F1175-E1180 HydrophobicContact CD1-CG 4.07Å; F1175-E1180 HydrophobicContact CG-CG 4.37Å; D1176-E1180 PolarHBondContact O-N 3.19Å; E1180-I1182 VanDerWaalsContact C-N 3.33Å; E1180-I1182 PolarHBondContact O-N 3.08Å; E1180-L1183 PolarHBondContact O-N 3.15Å; E1180-A1184 WeakPolarHBondContact O-CB 3.49Å; E1180-A1184 PolarHBondContact O-N 3.36Å
1181N65.2Low57Low95 Ų95129 Ų12951%0.50860%0.597SS.*Hα-helixtrans-60-39.8171.4-83.2-70.2000112.8E1177 A1184 Q1185E1177-N1181 WeakPolarHBondContact O-CB 3.42Å; E1177-N1181 PolarHBondContact O-N 2.83Å; E1177-N1181 PolarHBondContact O-ND2 3.28Å; N1181-A1184 PolarHBondContact O-N 3.01Å; N1181-Q1185 WeakPolarHBondContact O-CG 3.38Å; N1181-Q1185 PolarHBondContact O-N 3.03Å
1182I62.9Low58.2Low75 Ų75125.7 Ų125.739%0.38558%0.583SS.*Hα-helixtrans-65.3-37.5175.3-72.4163.2000111.7T1178 T1179 E1180 I1186T1178-I1182 WeakPolarHBondContact O-CB 3.31Å; T1178-I1182 WeakPolarHBondContact O-CD1 3.44Å; T1178-I1182 WeakPolarHBondContact O-CG1 3.3Å; T1178-I1182 PolarHBondContact O-N 2.95Å; T1179-I1182 PolarHBondContact O-N 2.96Å; E1180-I1182 VanDerWaalsContact C-N 3.33Å; E1180-I1182 PolarHBondContact O-N 3.08Å; I1182-I1186 HydrophobicContact CG2-CD1 4.41Å; I1182-I1186 WeakPolarHBondContact O-CD1 3.46Å; I1182-I1186 VanDerWaalsContact O-CG1 3.31Å; I1182-I1186 WeakPolarHBondContact O-CG1 3.15Å; I1182-I1186 PolarHBondContact O-N 3.43Å
1183L62Low59.3Low69 Ų69121 Ų12136%0.36157%0.574SS.*Hα-helixtrans-73.2-36.2174-64.1-162.1000112.5F1175 T1179 E1180 Q1185 I1186 F1188F1175-L1183 HydrophobicContact CD1-CD1 4.39Å; F1175-L1183 HydrophobicContact CE1-CD1 3.39Å; F1175-L1183 HydrophobicContact CE1-CG 3.79Å; F1175-L1183 HydrophobicContact CZ-CD1 3.65Å; F1175-L1183 HydrophobicContact CZ-CG 4.45Å; T1179-L1183 WeakPolarHBondContact O-CG 3.18Å; T1179-L1183 PolarHBondContact O-N 2.89Å; E1180-L1183 PolarHBondContact O-N 3.15Å; L1183-Q1185 VanDerWaalsContact C-N 3.31Å; L1183-Q1185 PolarHBondContact O-N 3.34Å; L1183-I1186 HydrophobicContact CD2-CD1 4.17Å; L1183-I1186 PolarHBondContact O-N 2.98Å; L1183-F1188 HydrophobicContact CB-CE2 4.47Å; L1183-F1188 HydrophobicContact CB-CZ 4.46Å; L1183-F1188 HydrophobicContact CD2-CZ 4.24Å; L1183-F1188 WeakPolarHBondContact O-CE2 3.38Å
1184A67.2Low60.2Low84 Ų84119 Ų11969%0.69457%0.567SS**Hα-helixtrans-63.9-35.317600000112.3E1180 N1181 I1186E1180-A1184 WeakPolarHBondContact O-CB 3.49Å; E1180-A1184 PolarHBondContact O-N 3.36Å; N1181-A1184 PolarHBondContact O-N 3.01Å; A1184-I1186 VanDerWaalsContact C-N 3.28Å; A1184-I1186 PolarHBondContact O-N 3.19Å
1185Q63.9Low60.9Low166 Ų166114.4 Ų114.478%0.77655%0.552SS**THydrogen-bonded Turntrans-70.9-18.3171.6-73.7-176.9-4.900113.7N1181 L1183 N1187N1181-Q1185 WeakPolarHBondContact O-CG 3.38Å; N1181-Q1185 PolarHBondContact O-N 3.03Å; L1183-Q1185 VanDerWaalsContact C-N 3.31Å; L1183-Q1185 PolarHBondContact O-N 3.34Å; Q1185-N1187 PolarHBondContact O-N 3.13Å
1186I60.6Low61.5Low42 Ų42115.1 Ų115.122%0.21557%0.567CS.*SBendtrans-84.799.5175.5-65.3164.1000108.9I1182 L1183 A1184 F1188I1182-I1186 HydrophobicContact CG2-CD1 4.41Å; I1182-I1186 WeakPolarHBondContact O-CD1 3.46Å; I1182-I1186 VanDerWaalsContact O-CG1 3.31Å; I1182-I1186 WeakPolarHBondContact O-CG1 3.15Å; I1182-I1186 PolarHBondContact O-N 3.43Å; L1183-I1186 HydrophobicContact CD2-CD1 4.17Å; L1183-I1186 PolarHBondContact O-N 2.98Å; A1184-I1186 VanDerWaalsContact C-N 3.28Å; A1184-I1186 PolarHBondContact O-N 3.19Å; I1186-F1188 HydrophobicContact CB-CE1 4.26Å; I1186-F1188 HydrophobicContact CB-CE2 4.13Å; I1186-F1188 HydrophobicContact CB-CZ 3.96Å; I1186-F1188 HydrophobicContact CG2-CD1 3.67Å; I1186-F1188 HydrophobicContact CG2-CD2 4.25Å; I1186-F1188 HydrophobicContact CG2-CE1 3.52Å; I1186-F1188 HydrophobicContact CG2-CE2 4.1Å; I1186-F1188 HydrophobicContact CG2-CG 4.05Å; I1186-F1188 HydrophobicContact CG2-CZ 3.75Å; I1186-F1188 WeakPolarHBondContact O-CD2 3.44Å; I1186-F1188 WeakPolarHBondContact O-CE2 3.37Å; I1186-F1188 PolarHBondContact O-N 3.24Å
1187N64.9Low61.8Low92 Ų92119.8 Ų119.849%0.49258%0.582SS.*  trans-6983.4169-170.6-39.5000110.2Q1185 R1189 R1190 R1191Q1185-N1187 PolarHBondContact O-N 3.13Å; N1187-R1189 PolarHBondContact O-N 2.87Å; N1187-R1189 PolarHBondContact OD1-N 3.44Å; N1187-R1190 HydrophobicContact CB-CB 4.3Å; N1187-R1190 PolarHBondContact O-N 3.25Å; N1187-R1190 VanDerWaalsContact O-N 3.12Å; N1187-R1190 PolarHBondContact OD1-N 3.47Å; N1187-R1191 WeakPolarHBondContact O-CB 3.48Å; N1187-R1191 PolarHBondContact O-N 2.96Å
1188F54.7Low61.2Low96 Ų96120.7 Ų120.742%0.42158%0.584SS.*Hα-helixtrans-55.9-33.3179.4-64.4-76.7000112.6L1183 I1186 R1190 R1191 F1192L1183-F1188 HydrophobicContact CB-CE2 4.47Å; L1183-F1188 HydrophobicContact CB-CZ 4.46Å; L1183-F1188 HydrophobicContact CD2-CZ 4.24Å; L1183-F1188 WeakPolarHBondContact O-CE2 3.38Å; I1186-F1188 HydrophobicContact CB-CE1 4.26Å; I1186-F1188 HydrophobicContact CB-CE2 4.13Å; I1186-F1188 HydrophobicContact CB-CZ 3.96Å; I1186-F1188 HydrophobicContact CG2-CD1 3.67Å; I1186-F1188 HydrophobicContact CG2-CD2 4.25Å; I1186-F1188 HydrophobicContact CG2-CE1 3.52Å; I1186-F1188 HydrophobicContact CG2-CE2 4.1Å; I1186-F1188 HydrophobicContact CG2-CG 4.05Å; I1186-F1188 HydrophobicContact CG2-CZ 3.75Å; I1186-F1188 WeakPolarHBondContact O-CD2 3.44Å; I1186-F1188 WeakPolarHBondContact O-CE2 3.37Å; I1186-F1188 PolarHBondContact O-N 3.24Å; F1188-R1190 VanDerWaalsContact C-N 3.34Å; F1188-R1190 PolarHBondContact O-N 3.23Å; F1188-R1191 CarbonylContact O-C 3.55Å; F1188-R1191 PolarHBondContact O-N 2.95Å; F1188-R1191 VanDerWaalsContact O-N 3.15Å; F1188-F1192 HydrophobicContact CB-CD2 4.25Å; F1188-F1192 HydrophobicContact CB-CE2 4.41Å; F1188-F1192 AromaticContact CD1-CE2 3.87Å; F1188-F1192 HydrophobicContact CD1-CE2 3.87Å; F1188-F1192 WeakPolarHBondContact O-CD2 3.43Å; F1188-F1192 PolarHBondContact O-N 3.09Å
1189R63Low60.5Low225 Ų225120.1 Ų120.185%0.84958%0.577SS**Hα-helixtrans-65.2-36.5179.2-157175.1-172-174.92.1112N1187 S1193N1187-R1189 PolarHBondContact O-N 2.87Å; N1187-R1189 PolarHBondContact OD1-N 3.44Å; R1189-S1193 WeakPolarHBondContact O-CB 3.46Å; R1189-S1193 PolarHBondContact O-N 3.02Å
1190R67.2Low59.6Low190 Ų190121.9 Ų121.972%0.71759%0.59SS**Hα-helixtrans-80-28.4170.5-170.5-175.9-71.8-177.9-2.7112.7N1187 F1188 F1192 S1193N1187-R1190 HydrophobicContact CB-CB 4.3Å; N1187-R1190 PolarHBondContact O-N 3.25Å; N1187-R1190 VanDerWaalsContact O-N 3.12Å; N1187-R1190 PolarHBondContact OD1-N 3.47Å; F1188-R1190 VanDerWaalsContact C-N 3.34Å; F1188-R1190 PolarHBondContact O-N 3.23Å; R1190-F1192 VanDerWaalsContact C-N 3.34Å; R1190-S1193 PolarHBondContact O-OG 3.2Å
1191R63.6Low58.8Low146 Ų146122.8 Ų122.855%0.55160%0.599SS**Hα-helixtrans-81.9-8.4-180-157.7168.5-172.8156.24.2114.3N1187 F1188 Y1194N1187-R1191 WeakPolarHBondContact O-CB 3.48Å; N1187-R1191 PolarHBondContact O-N 2.96Å; F1188-R1191 CarbonylContact O-C 3.55Å; F1188-R1191 PolarHBondContact O-N 2.95Å; F1188-R1191 VanDerWaalsContact O-N 3.15Å; R1191-Y1194 PolarHBondContact O-OH 3.43Å
1192F62.7Low57.7Low113 Ų113123 Ų12350%0.49660%0.603SS.*SBendtrans-129.810.1175-61.9-53.8000113.5F1188 R1190 Y1194 L1195F1188-F1192 HydrophobicContact CB-CD2 4.25Å; F1188-F1192 HydrophobicContact CB-CE2 4.41Å; F1188-F1192 AromaticContact CD1-CE2 3.87Å; F1188-F1192 HydrophobicContact CD1-CE2 3.87Å; F1188-F1192 WeakPolarHBondContact O-CD2 3.43Å; F1188-F1192 PolarHBondContact O-N 3.09Å; R1190-F1192 VanDerWaalsContact C-N 3.34Å; F1192-Y1194 PolarHBondContact O-N 2.97Å; F1192-Y1194 VanDerWaalsContact O-N 3.15Å; F1192-L1195 HydrophobicContact CB-CD1 4.16Å; F1192-L1195 HydrophobicContact CB-CG 4.49Å; F1192-L1195 HydrophobicContact CD1-CD1 3.55Å; F1192-L1195 HydrophobicContact CD1-CG 4.29Å; F1192-L1195 HydrophobicContact CE1-CD1 4.29Å; F1192-L1195 HydrophobicContact CG-CD1 4.16Å; F1192-L1195 PolarHBondContact O-N 3.48Å; F1192-L1195 VanDerWaalsContact O-N 3.07Å
1193S60.6Low56.4Low88 Ų88125.7 Ų125.762%0.61562%0.623SS**THydrogen-bonded Turntrans-65.5-15.5179.356.60000114.3R1189 R1190R1189-S1193 WeakPolarHBondContact O-CB 3.46Å; R1189-S1193 PolarHBondContact O-N 3.02Å; R1190-S1193 PolarHBondContact O-OG 3.2Å
1194Y63Low55.1Low166 Ų166127.5 Ų127.565%0.65164%0.641SS**THydrogen-bonded Turntrans-98.32.9176.342.4-99.3000113.6R1191 F1192R1191-Y1194 PolarHBondContact O-OH 3.43Å; F1192-Y1194 PolarHBondContact O-N 2.97Å; F1192-Y1194 VanDerWaalsContact O-N 3.15Å
1195L55.6Low53.6Low100 Ų100131 Ų13152%0.52465%0.648SS.*SBendtrans-84.1140.7167.4-66.2-177.2000109.9F1192 K1197F1192-L1195 HydrophobicContact CB-CD1 4.16Å; F1192-L1195 HydrophobicContact CB-CG 4.49Å; F1192-L1195 HydrophobicContact CD1-CD1 3.55Å; F1192-L1195 HydrophobicContact CD1-CG 4.29Å; F1192-L1195 HydrophobicContact CE1-CD1 4.29Å; F1192-L1195 HydrophobicContact CG-CD1 4.16Å; F1192-L1195 PolarHBondContact O-N 3.48Å; F1192-L1195 VanDerWaalsContact O-N 3.07Å; L1195-K1197 PolarHBondContact O-N 3.19Å
1196P60Low52.2Low124 Ų124129.7 Ų129.781%0.80565%0.652SS**  trans-53.9135.8172.4-26.234.9000111.7F1198P1196-F1198 PolarHBondContact O-N 3.25Å
1197K56.6Low51Low208 Ų208137.2 Ų137.290%0.90469%0.686SS**  trans-64.8106.7173.9-74.7-178.4179.8174.40109.2L1195 N1199L1195-K1197 PolarHBondContact O-N 3.19Å; K1197-N1199 PolarHBondContact O-N 2.92Å; K1197-N1199 VanDerWaalsContact O-N 3.15Å
1198F41.5Very low49.4Very low180 Ų180135.7 Ų135.779%0.78969%0.692SS**  trans-62.1113.6171.4-179.2-101.5000109.7P1196 P1200P1196-F1198 PolarHBondContact O-N 3.25Å; F1198-P1200 HydrophobicContact CE1-CB 4.03Å
1199N49.1Very low48.3Very low85 Ų85139.9 Ų139.946%0.45572%0.718SS.*  trans-100.2108.5175.7-172.4-4.6000108.6K1197 N1201 T1202K1197-N1199 PolarHBondContact O-N 2.92Å; K1197-N1199 VanDerWaalsContact O-N 3.15Å; N1199-N1201 PolarHBondContact O-N 3.44Å; N1199-N1201 PolarHBondContact OD1-N 3.22Å; N1199-T1202 HydrophobicContact CB-CG2 4.11Å; N1199-T1202 WeakPolarHBondContact ND2-CG2 3.39Å; N1199-T1202 PolarHBondContact O-OG1 2.88Å
1200P46Very low46.7Very low91 Ų91134.3 Ų134.359%0.59171%0.714SS**THydrogen-bonded Turntrans-69.6-10-176.827.3-33.7000113.9F1198F1198-P1200 HydrophobicContact CE1-CB 4.03Å
1201N44.1Very low45Very low144 Ų144130.5 Ų130.577%0.7772%0.716SS**THydrogen-bonded Turntrans-99.620.4-171.5-61.43.6000113.6N1199N1199-N1201 PolarHBondContact O-N 3.44Å; N1199-N1201 PolarHBondContact OD1-N 3.22Å
1202T41.8Very low43.7Very low98 Ų98128.9 Ų128.960%0.60173%0.725SS**SBendtrans-123.523.9-174.1640000114.2N1199N1199-T1202 HydrophobicContact CB-CG2 4.11Å; N1199-T1202 WeakPolarHBondContact ND2-CG2 3.39Å; N1199-T1202 PolarHBondContact O-OG1 2.88Å
1203V35.7Very low42.2Very low133 Ų133129.1 Ų129.181%0.80674%0.735SS**  trans-137.778178.8-168.70000110.5
1204S34.7Very low40.7Very low107 Ų107129.4 Ų129.475%0.74874%0.738SS**  trans-128.3140161.6-67.20000109.2
1205D36.9Very low39.3Very low157 Ų157127.9 Ų127.984%0.8475%0.745SS**  trans63.8130.1164.2-50.8-37.2000119.4
1206T33.9Very low38.2Very low138 Ų138130.4 Ų130.485%0.84776%0.759SS**  trans-104133.4-177.550.90000111.3
1207Q35Very low37.2Very low201 Ų201132.5 Ų132.594%0.93976%0.758SS**  trans-119.1154148.8-68-168.2-500109.1
1208G32.5Very low36.1Very low60 Ų60129.5 Ų129.562%0.61975%0.751SS**  trans-134-178.3177.300000110.2
1209L30.4Very low35.8Very low183 Ų183126.5 Ų126.596%0.95875%0.748SS**  trans72.8141.1-157-49156.6000110
1210S29.2Very low35.1Very low109 Ų109128.4 Ų128.476%0.76276%0.762SS**  cis-153.5165.2-5.5450000110.1
1211S32.6Very low34.6Very low110 Ų110134.9 Ų134.977%0.76978%0.775SS**  trans-68.2164.1159-35.10000110.2
1212P36.8Very low34.1Very low112 Ų112133.5 Ų133.573%0.72778%0.777SS**  cis-132.3-165.5-7.738.3-18.7000113.1
1213T29.7Very low33.8Very low117 Ų117133.6 Ų133.672%0.71879%0.787SS**  trans69.796.2146.7-52.60000121
1214S28.9Very low33.6Very low95 Ų95130.7 Ų130.766%0.66478%0.784SS**  trans72.7163.6136.281.40000122.5
1215V34.1Very low33.7Very low134 Ų134131 Ų13181%0.81278%0.784SS**  trans66.6148165.3-59.10000120.4
1216D33.2Very low33.3Very low152 Ų152129 Ų12981%0.81378%0.781SS**  trans-85.8-177.9-163.2-58.1-89.7000115.6
1217Q38.1Very low33.2Very low168 Ų168130.5 Ų130.579%0.78578%0.776SS**  trans102.693.7154.7-52.3-158.537.500119.1
1218L34Very low33Very low145 Ų145126.3 Ų126.376%0.75975%0.752SS**  71.7134.9115.8-70.5165.2000121.8
1219T34.6Very low32.8Very low118 Ų118126.9 Ų126.972%0.72475%0.747SS**  trans70.593144.7-550000117.4
1220V35.1Very low32.8Very low124 Ų124126.2 Ų126.275%0.75274%0.739SS**  9614262.31610000113.7
1221R34.9Very low32.9Very low227 Ų227126.5 Ų126.586%0.85774%0.736SS**  trans79121.2178.9-76.3157.6130.7-176.2-6.8114.8
1222S33.8Very low32.8Very low116 Ų116126.6 Ų126.681%0.81173%0.732SS**  94.313653.1-71.40000111.1
1223A36.3Very low32.5Very low99 Ų99129.2 Ų129.282%0.81874%0.735SS**  cis-165.9172.5-6.400000110.5
1224G32Very low32.5Very low73 Ų73129.8 Ų129.875%0.75374%0.738SS**  trans108.1129.6163.400000115
1225P36.8Very low32.7Very low113 Ų113128.7 Ų128.773%0.73474%0.742SS**  trans-112.1144.9-176.838.2-29.6000114.7
1226C28Very low32.4Very low114 Ų114127.6 Ų127.677%0.7774%0.741SS**  trans60.9158150.4-56.60000117.6
1227F30.9Very low32.6Very low171 Ų171126.8 Ų126.875%0.7574%0.741SS**  cis-162.8165.912.1-137.4-45.4000108
1228Y30.4Very low32.3Very low112 Ų112124.3 Ų124.344%0.43974%0.737SS.*  trans73152.7166-78.2-119.1000117.8I367 T368I367-Y1228 WeakPolarHBondContact CD1-OH 3.39Å; I367-Y1228 WeakPolarHBondContact CG1-OH 3.46Å; T368-Y1228 WeakPolarHBondContact CB-OH 3.24Å; T368-Y1228 HydrophobicContact CG2-CE2 4.49Å; T368-Y1228 WeakPolarHBondContact CG2-OH 3.39Å; T368-Y1228 PolarHBondContact OG1-OH 3.45Å
1229S29.9Very low32.6Very low73 Ų73122.8 Ų122.851%0.5174%0.736SS.*  cis-165.5157.4-27.7560000111.1
1230E29.9Very low32.5Very low169 Ų169122.3 Ų122.379%0.7973%0.733SS**  trans61.7168157.4-69.1160.7130.500115.9
1231T31.4Very low32.5Very low115 Ų115123.9 Ų123.971%0.70674%0.737SS**  cis-141.5165.611.4-30.50000109.9
1232T29.5Very low32.1Very low112 Ų112117.1 Ų117.169%0.68772%0.724SS**  trans-2.4143.715857.40000118.8
1233Q31.4Very low32.2Very low167 Ų167118.9 Ų118.978%0.7872%0.723SS**  -169.4153.770.8-82.7-176.84.600114.5
1234T29.7Very low32Very low128 Ų128120.5 Ų120.579%0.78572%0.717SS**  trans32.5127.9145.663.60000123.2
1235G33.3Very low32.1Very low73 Ų73122.3 Ų122.375%0.75371%0.714SS**  trans81.9163.1155.900000115.5
1236S28.4Very low31.7Very low111 Ų111120.8 Ų120.878%0.77671%0.706SS**  cis-177.8170.1-18.342.30000108.3
1237V35.4Very low31.8Very low134 Ų134122.8 Ų122.881%0.81270%0.704SS**  trans71.8103.7166.9-169.30000116.8
1238T33Very low32.2Very low117 Ų117122 Ų12272%0.71870%0.703SS**  trans-71.9149.8154.245.30000111.6
1239P39.4Very low32Very low112 Ų112123.3 Ų123.373%0.72772%0.717SS**  -131.6147.7107.636.1-28.7000111.3
1240T33.1Very low32.1Very low109 Ų109125.1 Ų125.167%0.66973%0.728SS**  cis66.673.522.8-43.10000115.1
1241L34.3Very low32.2Very low157 Ų157122.2 Ų122.282%0.82272%0.722SS**  trans-132.8118.9143.4-74.4170.4000105.3
1242S27.6Very low32.2Very low85 Ų85124.5 Ų124.559%0.59473%0.729SS**  86.4152.950.6-640000112.5
1243I35.2Very low32.3Very low152 Ų152124.7 Ų124.778%0.77973%0.73SS**  trans75.8131.6177.7-52.8159.3000112.5
1244D33.1Very low32.3Very low133 Ų133122 Ų12271%0.71173%0.73SS**  cis-154.3137.1-18.3-114.5-17.9000107.3
1245T32.5Very low32.6Very low111 Ų111121.2 Ų121.268%0.68173%0.727SS**  81.4117.683.2-65.10000115.4
1246S29.3Very low32.6Very low82 Ų82123.2 Ų123.257%0.57373%0.729SS**  trans77.8131.3155.2-70.20000122.2
1247Q29.9Very low32.9Very low155 Ų155122.5 Ų122.572%0.72473%0.725SS**  50143.4117.4-48.9169.440.800119.1
1248Q39.4Very low32.8Very low155 Ų155124.3 Ų124.372%0.72472%0.724SS**  cis-139.8155.222.9-93.6112.647.100110.7
1249L27Very low32.9Very low140 Ų140125 Ų12573%0.73372%0.722SS**  54.1122.687-134.770.7000113.5T1251L1249-T1251 HydrophobicContact CD1-CG2 3.94Å; L1249-T1251 HydrophobicContact CG-CG2 4.08Å
1250C31.8Very low32.6Very low111 Ų111123.8 Ų123.875%0.7572%0.717SS**  -158.713566.2-68.70000109.9
1251T30.8Very low32.7Very low107 Ų107125.3 Ų125.366%0.65672%0.721SS**  77.7115.254.264.80000116.8L1249L1249-T1251 HydrophobicContact CD1-CG2 3.94Å; L1249-T1251 HydrophobicContact CG-CG2 4.08Å
1252L31.3Very low32.7Very low164 Ų164123 Ų12386%0.85972%0.717SS**  trans-166.7122.5148.4-90.6172.1000106.4
1253T32.5Very low33.1Very low116 Ų116126.5 Ų126.571%0.71273%0.725SS**  cis-160.5142.2-12.8-12.50000109.9
1254S31.1Very low32.9Very low111 Ų111125.2 Ų125.278%0.77672%0.719SS**  trans17163.8146.3-50.60000123.4
1255P36.5Very low33Very low110 Ų110125.6 Ų125.671%0.71472%0.72SS**  cis-136.41658.641.7-25.1000117.9
1256S32.8Very low33Very low115 Ų115128.1 Ų128.180%0.80472%0.723SS**  trans62.4148.4147.8-65.40000121.3
1257S34.8Very low33.3Very low97 Ų97132.2 Ų132.268%0.67873%0.734SS**  cis-175.4147.9-1248.90000111.4
1258H33.5Very low33.4Very low172 Ų172131.6 Ų131.680%0.79674%0.735SS**  trans63.5150161.4-87.8-150.3000117.4
1259L34.8Very low33.2Very low130 Ų130132.1 Ų132.168%0.68174%0.742SS**  cis-147.8131.6-16.2-91.5171.1000104.5
1260S32.8Very low33.3Very low88 Ų88130.7 Ų130.762%0.61574%0.744SS**  84.613578.1-62.10000116.2
1261D35.4Very low33.5Very low141 Ų141131.4 Ų131.475%0.75475%0.747SS**  trans64.2115.1151.8-50-23.4000118.7
1262S34.6Very low33.7Very low107 Ų107136.2 Ų136.275%0.74876%0.759SS**  97.1156.771.6900000111
1263E35Very low33.5Very low160 Ų160139.7 Ų139.775%0.74876%0.761SS**  cis-156.8157.8-7.3-145.4-170.4-120.700111.4
1264N32Very low33.4Very low124 Ų124141.5 Ų141.566%0.66377%0.765SS**  trans73.6165.9141.9-123.5-42.7000123.7
1265I35Very low33.4Very low141 Ų141143 Ų14372%0.72376%0.764SS**  trans76.687.7162.9-57.4155.4000119.8
1266H32.2Very low33Very low164 Ų164145.8 Ų145.876%0.75977%0.77SS**  32.9111.6116.2-93.9-116.6000120.8
1267Q36.6Very low33Very low168 Ų168145.8 Ų145.879%0.78576%0.761SS**  177131.8103.6-98.2162.6100.400117
1268N30.6Very low33Very low142 Ų142149.2 Ų149.276%0.75976%0.764SS**  trans42.5142.4135.4-82.4-40.2000125.1
1269L35.4Very low32.6Very low167 Ų167146.6 Ų146.687%0.87476%0.764SS**  trans84.5139153.4-67.4156.3000119.8
1270S29.3Very low32.4Very low110 Ų110148.1 Ų148.177%0.76977%0.773SS**PPolyproline II helixtrans-99.8145.2-155.7-36.90000115.3
1271P36Very low32.2Very low125 Ų125153.3 Ų153.381%0.81279%0.788SS**PPolyproline II helixtrans-76.3136.3152.4-8.125.7000110.7
1272K36Very low32.1Very low209 Ų209152.3 Ų152.391%0.90979%0.792SS**PPolyproline II helixtrans-75.7141.3171.9-71.8175.8179.7171.70110.6
1273R27.4Very low32.1Very low237 Ų237155 Ų15589%0.89480%0.797SS**PPolyproline II helixtrans-66.7150.5165.3-63-179.7176.8-171.5-1.5110.2
1274L29.7Very low31.9Very low153 Ų153155.1 Ų155.180%0.80180%0.797SS**  -169.4125.1114.5-100.5168.3000112.5
1275N32.1Very low32.1Very low142 Ų142155.8 Ų155.876%0.75980%0.801SS**  trans36.196.4156-58.4-1.3000120.1
1276M27.7Very low32Very low170 Ų170153.1 Ų153.184%0.83779%0.788SS**  -64.3133.4125.2-68.7-78.9100.500108
1277D32.2Very low32.4Very low115 Ų115150.6 Ų150.662%0.61578%0.784SS**  177.4138.586.5-123.7-35.3000115
1278K33.9Very low32.1Very low169 Ų169151.2 Ų151.274%0.73578%0.784SS**  trans21.4112.3157.2-67165.6-165.783.30120.1
1279S25.6Very low32.1Very low116 Ų116153.5 Ų153.581%0.81179%0.788SS**  trans-50133.4155.251.70000113.8
1280N30.3Very low32Very low162 Ų162148.2 Ų148.287%0.86677%0.774SS**  trans-151.5144.2155.1-103.5-51.5000110.2
1281Q29.8Very low32.2Very low198 Ų198147.3 Ų147.393%0.92577%0.774SS**  trans-85.7137.3-172.6-66.7162.8-21.100111.5
1282S32.6Very low32.2Very low119 Ų119149 Ų14983%0.83278%0.776SS**  trans-106.5117.1171.849.10000111.2
1283L33.9Very low32.5Very low163 Ų163145 Ų14585%0.85376%0.759SS**  trans-127.294.4174.6-16974000109D1285L1283-D1285 PolarHBondContact O-N 2.88Å
1284E31.5Very low33.4Very low163 Ų163138 Ų13876%0.76274%0.744SS**  trans-82.495.9-179.8-71.6-161.4153.100112.2
1285D37.5Very low33.7Very low139 Ų139134.4 Ų134.474%0.74373%0.725SS**  trans-105.3129175.5-151-9000113L1283L1283-D1285 PolarHBondContact O-N 2.88Å
1286N32.3Very low34.1Very low84 Ų84134.2 Ų134.245%0.44972%0.723SS.*  trans-110.480.1-159.6-87.4-91.6000112.8Y353Y353-N1286 HydrophobicContact CD1-CB 4.17Å; Y353-N1286 HydrophobicContact CE1-CB 3.91Å; Y353-N1286 WeakPolarHBondContact CE1-OD1 3.43Å; Y353-N1286 WeakPolarHBondContact CE2-OD1 3.48Å; Y353-N1286 VanDerWaalsContact CZ-CG 3.42Å; Y353-N1286 VanDerWaalsContact CZ-OD1 3.23Å; Y353-N1286 PolarHBondContact OH-ND2 3.32Å
1287V40.3Very low34.5Very low111 Ų111134.2 Ų134.267%0.67372%0.718SS**  trans-104.2103.6-173.9-173.90000113.6
1288F30.4Very low34.6Very low181 Ų181136.3 Ų136.379%0.79472%0.724SS**THydrogen-bonded Turntrans-78.6123.1174.8178.7-112.9000111.7
1289F29.8Very low34.5Very low190 Ų190135 Ų13583%0.83373%0.73SS**THydrogen-bonded Turntrans64.764.8-173.6-70.4-76.4000116
1290G33.5Very low34.8Very low57 Ų57138.8 Ų138.859%0.58873%0.732SS**  trans-122.4157.916200000111.8
1291A33.6Very low34.7Very low91 Ų91142.4 Ų142.475%0.75273%0.734SS**  trans-108.658.9-173.600000113.1F1293A1291-F1293 PolarHBondContact O-N 3.29Å; A1291-F1293 VanDerWaalsContact O-N 3.13Å
1292N36.4Very low34.6Very low161 Ų161139.7 Ų139.786%0.86173%0.731SS**  trans-82.290.9178-65.611000110.2
1293F42.7Very low34.6Very low124 Ų124139.3 Ų139.354%0.54472%0.724SS.*  trans-101.5137.1157-74.1-71.1000108.3A1291A1291-F1293 PolarHBondContact O-N 3.29Å; A1291-F1293 VanDerWaalsContact O-N 3.13Å
1294P46Very low34.4Very low91 Ų91138.7 Ų138.759%0.59172%0.721SS**  trans-60.1144.4174.925.8-33.8000110.6I1296P1294-I1296 PolarHBondContact O-N 3.33Å; P1294-I1296 VanDerWaalsContact O-N 3.13Å
1295N36.8Very low34.4Very low76 Ų76136 Ų13641%0.40672%0.72SS.*  trans-7897.6-172.3-166.914.9000110.3K1297N1295-K1297 PolarHBondContact O-N 3.32Å
1296I38.7Very low34.2Very low139 Ų139136.3 Ų136.371%0.71372%0.721SS**THydrogen-bonded Turntrans-76.366.9176.7-47.9-179.9000109.6P1294P1294-I1296 PolarHBondContact O-N 3.33Å; P1294-I1296 VanDerWaalsContact O-N 3.13Å
1297K36.9Very low34.1Very low169 Ų169138.3 Ų138.374%0.73573%0.732SS**THydrogen-bonded Turntrans-141.7-7.7176.2-79.5-169.9168.1-169.80113N1295N1295-K1297 PolarHBondContact O-N 3.32Å
1298E33.5Very low33.7Very low159 Ų159137.5 Ų137.574%0.74373%0.731SS**  trans-113.940.9-163.6-150.4144.6-126.400111.6
1299V32.3Very low34Very low142 Ų142134.2 Ų134.286%0.86173%0.728SS**SBendtrans-138.561.2171.5-169.10000109.4
1300K32.3Very low34Very low195 Ų195132.3 Ų132.385%0.84873%0.726SS**SBendtrans-172.8133.3159.3-109.5177-179.9-172.70107.8
1301R28Very low33.7Very low238 Ų238140.2 Ų140.290%0.89874%0.738SS**  trans77.874.8-168.3-50.1176.4-172.8160.9-2.6115.5
1302T28Very low33.6Very low142 Ų142143 Ų14387%0.87174%0.739SS**  trans-14655153.852.50000109.3
1303T31.5Very low33.2Very low111 Ų111140.2 Ų140.268%0.68173%0.732SS**  trans-161.7122.1178.146.60000105
1304D30.5Very low32.7Very low149 Ų149139.1 Ų139.180%0.79774%0.739SS**  cis-144.5-161.61.6-65.5-58.7000110.2
1305S32.4Very low31.9Very low106 Ų106139.4 Ų139.474%0.74174%0.744SS**  trans76.1118-168.1-155.50000111.6
1306L31.8Very low31.5Very low147 Ų147143.1 Ų143.177%0.7776%0.764SS**SBendcis-138.1152.832.9-83168.6000111.3
1307N31.9Very low31Very low125 Ų125141.2 Ų141.267%0.66876%0.762SS**  cis-162.8142.1-7.5-159.77.9000113.1
1308S30.9Very low30.6Very low94 Ų94139.2 Ų139.266%0.65776%0.764SS**  trans64.2169.4147.8-65.80000119.7
1309P36.3Very low30.3Very low113 Ų113134.9 Ų134.973%0.73475%0.752SS**  -136.2179.6-80.838.1-18.7000113.7
1310L29.4Very low30Very low150 Ų150136.3 Ų136.379%0.78574%0.743SS**  trans-172.1128.7137.5-100.7163.9000110.4
1311R27.5Very low29.8Very low222 Ų222130 Ų13084%0.83873%0.733SS**  13.9142.4126.3-57.9-176.4-179.4-175.80.8117.1
1312I31.4Very low29.7Very low150 Ų150127.1 Ų127.177%0.76972%0.722SS**  cis-136.2156.824.3-69.4177.4000111.8
1313S28.3Very low29.7Very low102 Ų102128 Ų12871%0.71372%0.721SS**  trans-19159.4156.5-35.50000118.6
1314S31.8Very low29.5Very low101 Ų101127.3 Ų127.371%0.70672%0.72SS**  cis-166.2162.410.410.10000111.8
1315S30Very low29.4Very low98 Ų98128.7 Ų128.769%0.68572%0.72SS**  trans51.5119.8154.753.30000118.7
1316N27.9Very low29.2Very low154 Ų154130.5 Ų130.582%0.82472%0.721SS**  59.3135.969.1-61.2-2000112.5
1317S27.9Very low29.2Very low98 Ų98130.5 Ų130.569%0.68572%0.716SS**  cis-149.4153.55.63.70000109.3
1318T28.8Very low29.4Very low127 Ų127130.7 Ų130.778%0.77972%0.724SS**  48.113585.1-1.40000112.8
1319S27.9Very low29.3Very low69 Ų69133.4 Ų133.448%0.48373%0.73SS.*  cis-164.1178.925.5-165.90000113.6
1320Y25.8Very low29.1Very low171 Ų171131.4 Ų131.467%0.67172%0.723SS**  trans68.4132.5162.9-44.3-60.6000117.7D557D557-Y1320 HydrophobicContact CB-CD1 3.84Å; D557-Y1320 HydrophobicContact CB-CE1 3.41Å; D557-Y1320 VanDerWaalsContact CB-CE1 3.41Å; D557-Y1320 WeakPolarHBondContact OD2-CD1 3.31Å
1321G27Very low29.4Very low62 Ų62130.8 Ų130.864%0.63973%0.728SS**  cis177.8-170.4-500000114.3
1322R26.6Very low29.5Very low179 Ų179129.3 Ų129.368%0.67573%0.728SS**  trans71156.4176.7-61.6-169177-143.3-11.6119.1V554V554-R1322 PolarHBondContact O-NH2 3.22Å
1323L27.6Very low29.6Very low160 Ų160130 Ų13084%0.83873%0.732SS**  trans77.8110.3158.9-10869.4000120.4
1324S28.6Very low29.6Very low96 Ų96132.4 Ų132.467%0.67173%0.734SS**  trans78.9124.5136.4-1680000119.9
1325K28.6Very low29.4Very low179 Ų179134.5 Ų134.578%0.77873%0.733SS**  trans7.2113.6135.2-49.5167.7-176.41730115.2
1326N27.9Very low29.5Very low143 Ų143138.1 Ų138.177%0.76574%0.739SS**  166.1147.4108.9-82.4-39.2000112.7
1327H31.8Very low29.5Very low147 Ų147137.9 Ų137.968%0.68173%0.732SS**  trans32.7124.8148.8-89-80.1000121.5I1329H1327-I1329 HydrophobicContact CB-CG1 4.01Å
1328P35Very low29.7Very low129 Ų129139.5 Ų139.584%0.83874%0.739SS**PPolyproline II helix-61.5129.3128.829.8-32.5000108.9
1329I30Very low29.7Very low151 Ų151139.9 Ų139.977%0.77474%0.736SS**PPolyproline II helixtrans-94140.3-163.8-73.1169.5000111.7H1327H1327-I1329 HydrophobicContact CB-CG1 4.01Å
1330A30.8Very low29.8Very low71 Ų71143.4 Ų143.459%0.58775%0.745SS**PPolyproline II helixtrans-78.6153.6172.900000111.7K1332A1330-K1332 PolarHBondContact O-N 3.01Å
1331P35.4Very low29.9Very low137 Ų137141.6 Ų141.689%0.8975%0.747SS**  trans-64.6100.7173.927.1-34.4000111.6
1332K31.3Very low30.1Very low192 Ų192144.5 Ų144.584%0.83576%0.757SS**  trans-88.4172153.5-77.5-173.6172.9-176.30109.4A1330A1330-K1332 PolarHBondContact O-N 3.01Å
1333I31.9Very low30.2Very low165 Ų165141.5 Ų141.585%0.84676%0.763SS**  trans107.6111.2-177.4-67.8165.7000109.4
1334I30.2Very low30.4Very low151 Ų151140.3 Ų140.377%0.77476%0.758SS**  cis-135.21634.5-52.8-176.1000111.6
1335H27.3Very low30.6Very low146 Ų146142.4 Ų142.468%0.67676%0.759SS**  trans-77.8168173.5-117.2-130.6000114.8
1336H32.3Very low30.7Very low173 Ų173139.5 Ų139.580%0.80176%0.757SS**  trans161.286136.9-86.4-63.4000107.5
1337Q26.7Very low31.2Very low149 Ų149136.7 Ų136.770%0.69674%0.741SS**  75.887.766.5-157.9179.415.700114.7
1338T32.7Very low31.1Very low133 Ų133134.3 Ų134.382%0.81674%0.742SS**  trans-159.1121140.946.40000111.1
1339N28.4Very low31.1Very low135 Ų135136.2 Ų136.272%0.72274%0.739SS**  trans24.6134.1133-77.443.3000121.1
1340E29.8Very low31.4Very low142 Ų142134.8 Ų134.866%0.66473%0.732SS**  cis-156.8-179.6-6.4-58.4-163.815800112.1
1341N29.1Very low31.2Very low133 Ų133134.9 Ų134.971%0.71173%0.729SS**  trans70.176.5147.5-62-37.1000121.1
1342S30.5Very low31Very low124 Ų124136.1 Ų136.187%0.86772%0.722SS**  -169.9152.7129.8-85.50000112.8L1344S1342-L1344 PolarHBondContact O-N 2.64Å
1343S28.2Very low31.2Very low115 Ų115130.9 Ų130.980%0.80472%0.715SS**  trans-84.7102.7-166.942.50000115I1345S1343-I1345 PolarHBondContact O-N 2.82Å
1344L30.9Very low31.2Very low136 Ų136130 Ų13071%0.71271%0.712SS**  trans-82108.6168.9-71.8176.1000111.5S1342 T1346S1342-L1344 PolarHBondContact O-N 2.64Å; L1344-T1346 PolarHBondContact O-N 2.93Å
1345I34Very low31.4Very low139 Ų139125.5 Ų125.571%0.71370%0.703SS**  trans-72.6113.2176.5-60.6175.4000110.4S1343 L1347S1343-I1345 PolarHBondContact O-N 2.82Å; I1345-L1347 PolarHBondContact O-N 3.19Å; I1345-L1347 VanDerWaalsContact O-N 3.16Å
1346T31.2Very low32.2Very low119 Ų119124.3 Ų124.373%0.7370%0.702SS**  trans-73103-175.6-23.10000112.2L1344 S1348L1344-T1346 PolarHBondContact O-N 2.93Å; T1346-S1348 VanDerWaalsContact CG2-OG 3.31Å; T1346-S1348 WeakPolarHBondContact CG2-OG 3.37Å; T1346-S1348 PolarHBondContact O-N 3.02Å
1347L36.6Very low33.1Very low83 Ų83122.2 Ų122.244%0.43569%0.69SS.*  trans-81.351.4-178.3-104.3165.5000113.3I1345 H1349 L1350I1345-L1347 PolarHBondContact O-N 3.19Å; I1345-L1347 VanDerWaalsContact O-N 3.16Å; L1347-H1349 PolarHBondContact O-N 2.88Å; L1347-L1350 HydrophobicContact CD2-CD1 4.26Å
1348S31Very low34.4Very low98 Ų98119.8 Ų119.869%0.68569%0.69SS**  trans-78.7-12.3-169.8-52.40000115.9T1346T1346-S1348 VanDerWaalsContact CG2-OG 3.31Å; T1346-S1348 WeakPolarHBondContact CG2-OG 3.37Å; T1346-S1348 PolarHBondContact O-N 3.02Å
1349H33.8Very low35.5Very low168 Ų168122 Ų12278%0.77868%0.683SS**  trans-12059.9-162.2-156.9-67.3000114.1L1347L1347-H1349 PolarHBondContact O-N 2.88Å
1350L37Very low38Very low122 Ų122118.1 Ų118.164%0.63967%0.667SS**  trans-135.741.5174.6-78.8175.6000113.2L1347L1347-L1350 HydrophobicContact CD2-CD1 4.26Å
1351S27.8Very low40.6Very low73 Ų73113.5 Ų113.551%0.5165%0.648SS.*  trans-77.2-17215557.90000110.6
1352E31Very low43.4Very low162 Ų162110.8 Ų110.876%0.75763%0.633SS**  trans44.581.2176.5-6771.8-95.400118.5
1353A34.7Very low46.1Very low83 Ų83110.9 Ų110.969%0.68662%0.619SS**  trans-161.279.6152.200000112.9G1355A1353-G1355 PolarHBondContact O-N 3.03Å
1354N31.5Very low49.1Very low147 Ų147107 Ų10779%0.78659%0.59SS**THydrogen-bonded Turntrans-74.883.8-179.4-79.5-39.9000113K1357N1354-K1357 WeakPolarHBondContact OD1-CE 3.3Å; N1354-K1357 PolarHBondContact OD1-NZ 3.01Å
1355G35.7Very low52.2Low56 Ų56101.6 Ų101.658%0.57756%0.559SS**THydrogen-bonded Turntrans-175.2-26.3169.500000118.4A1353A1353-G1355 PolarHBondContact O-N 3.03Å
1356N43.8Very low55.1Low121 Ų12199.1 Ų99.165%0.64754%0.541SS*.  trans-12524.8-170.9-77.3-68.2000114.5S1358 R1359 S1360N1356-S1358 VanDerWaalsContact C-N 3.31Å; N1356-S1358 PolarHBondContact O-N 3.32Å; N1356-R1359 PolarHBondContact O-N 2.8Å; N1356-S1360 PolarHBondContact O-N 3.33Å; N1356-S1360 VanDerWaalsContact O-N 3.16Å
1357K49.6Very low58.1Low129 Ų12999.1 Ų99.156%0.56153%0.531SS*.Hα-helixtrans-51.5-35.6-163.1-58.9-168.4180-1720115.8N1354 S1360 V1361N1354-K1357 WeakPolarHBondContact OD1-CE 3.3Å; N1354-K1357 PolarHBondContact OD1-NZ 3.01Å; K1357-S1360 WeakPolarHBondContact CA-OG 3.44Å; K1357-S1360 PolarHBondContact O-OG 3.09Å; K1357-S1360 VanDerWaalsContact O-OG 3.08Å; K1357-V1361 WeakPolarHBondContact O-CB 3.4Å; K1357-V1361 VanDerWaalsContact O-CG2 3.27Å; K1357-V1361 WeakPolarHBondContact O-CG2 3.48Å; K1357-V1361 PolarHBondContact O-N 3.29Å
1358S55.1Low61Low98 Ų9895.4 Ų95.469%0.68551%0.512SS*.Hα-helixtrans-74.1-30.4177.858.80000114N1356 L1362N1356-S1358 VanDerWaalsContact C-N 3.31Å; N1356-S1358 PolarHBondContact O-N 3.32Å; S1358-L1362 PolarHBondContact O-N 3.43Å
1359R55.9Low64.1Low180 Ų18090.8 Ų90.868%0.67948%0.479SS*.Hα-helixtrans-81.7-35178.6-171.9171.6177.3152.6-0.1111.8N1356 H1363N1356-R1359 PolarHBondContact O-N 2.8Å; R1359-H1363 PolarHBondContact O-N 3.23Å
1360S80.4Confident67.1Low53 Ų5386.8 Ų86.837%0.37146%0.463SS..Hα-helixtrans-66.1-50172.955.30000111.3N1356 K1357 L1362 H1363 I1364N1356-S1360 PolarHBondContact O-N 3.33Å; N1356-S1360 VanDerWaalsContact O-N 3.16Å; K1357-S1360 WeakPolarHBondContact CA-OG 3.44Å; K1357-S1360 PolarHBondContact O-OG 3.09Å; K1357-S1360 VanDerWaalsContact O-OG 3.08Å; S1360-L1362 VanDerWaalsContact C-N 3.29Å; S1360-L1362 PolarHBondContact O-N 3.15Å; S1360-H1363 CarbonylContact O-C 3.56Å; S1360-H1363 WeakPolarHBondContact O-CA 3.18Å; S1360-H1363 WeakPolarHBondContact O-CB 3.49Å; S1360-H1363 PolarHBondContact O-N 2.93Å; S1360-I1364 WeakPolarHBondContact O-CG1 3.48Å; S1360-I1364 PolarHBondContact O-N 3.21Å
1361V85.4Confident69.9Low45 Ų4582.9 Ų82.927%0.27344%0.442SS..Hα-helixtrans-56.9-39.1178.8168.70000112.6K1357 H1363 R1365K1357-V1361 WeakPolarHBondContact O-CB 3.4Å; K1357-V1361 VanDerWaalsContact O-CG2 3.27Å; K1357-V1361 WeakPolarHBondContact O-CG2 3.48Å; K1357-V1361 PolarHBondContact O-N 3.29Å; V1361-H1363 VanDerWaalsContact C-N 3.3Å; V1361-H1363 PolarHBondContact O-N 3.42Å; V1361-R1365 HydrophobicContact CG1-CG 4.39Å; V1361-R1365 VanDerWaalsContact O-CB 3.26Å; V1361-R1365 WeakPolarHBondContact O-CB 3.32Å; V1361-R1365 WeakPolarHBondContact O-CG 3.32Å; V1361-R1365 PolarHBondContact O-N 3.03Å
1362L87.1Confident73.1Confident76 Ų7679.4 Ų79.440%0.39842%0.417SS..Hα-helixtrans-71.2-20.4175.5-76177.1000114.5S1358 S1360 R1366S1358-L1362 PolarHBondContact O-N 3.43Å; S1360-L1362 VanDerWaalsContact C-N 3.29Å; S1360-L1362 PolarHBondContact O-N 3.15Å; L1362-R1366 WeakPolarHBondContact O-CG 3.47Å
1363H86.6Confident76.3Confident125 Ų12571.9 Ų71.958%0.57938%0.382SS*.Hα-helixtrans-85.3-44.7173-179.881.8000111.2R1359 S1360 V1361 R1365 R1366 K1367R1359-H1363 PolarHBondContact O-N 3.23Å; S1360-H1363 CarbonylContact O-C 3.56Å; S1360-H1363 WeakPolarHBondContact O-CA 3.18Å; S1360-H1363 WeakPolarHBondContact O-CB 3.49Å; S1360-H1363 PolarHBondContact O-N 2.93Å; V1361-H1363 VanDerWaalsContact C-N 3.3Å; V1361-H1363 PolarHBondContact O-N 3.42Å; H1363-R1365 PolarHBondContact O-N 3.29Å; H1363-R1366 WeakPolarHBondContact O-CA 3.38Å; H1363-R1366 WeakPolarHBondContact O-CB 3.49Å; H1363-R1366 PolarHBondContact O-N 3.44Å; H1363-K1367 PolarHBondContact O-N 2.87Å
1364I91.9Very high79.1Confident35 Ų3575.3 Ų75.318%0.17938%0.384CS..Hα-helixtrans-58.6-47.1174.6-61.7160.9000110.4S1360 R1366 K1367 L1368 Y1395S1360-I1364 WeakPolarHBondContact O-CG1 3.48Å; S1360-I1364 PolarHBondContact O-N 3.21Å; I1364-R1366 PolarHBondContact O-N 2.83Å; I1364-K1367 PolarHBondContact O-N 3.36Å; I1364-K1367 VanDerWaalsContact O-N 3.08Å; I1364-L1368 HydrophobicContact CG2-CD1 4.01Å; I1364-L1368 HydrophobicContact CG2-CG 4.29Å; I1364-L1368 WeakPolarHBondContact O-CG 3.16Å; I1364-L1368 PolarHBondContact O-N 2.91Å; I1364-Y1395 HydrophobicContact CB-CE1 4.12Å; I1364-Y1395 HydrophobicContact CD1-CE1 4.12Å; I1364-Y1395 HydrophobicContact CG2-CD1 3.93Å; I1364-Y1395 HydrophobicContact CG2-CE1 3.53Å; I1364-Y1395 HydrophobicContact CG2-CE2 4.17Å; I1364-Y1395 HydrophobicContact CG2-CG 4.41Å
1365R95.3Very high82.1Confident21 Ų2172.7 Ų72.78%0.07937%0.367CS..Hα-helixtrans-59.7-13.2171.6-74.7171.8166.6166.6-4114.6V1361 H1363 Y1395 F1396 K1405V1361-R1365 HydrophobicContact CG1-CG 4.39Å; V1361-R1365 VanDerWaalsContact O-CB 3.26Å; V1361-R1365 WeakPolarHBondContact O-CB 3.32Å; V1361-R1365 WeakPolarHBondContact O-CG 3.32Å; V1361-R1365 PolarHBondContact O-N 3.03Å; H1363-R1365 PolarHBondContact O-N 3.29Å; R1365-Y1395 PolarHBondContact NE-O 3.17Å; R1365-Y1395 PolarHBondContact NH2-O 2.69Å; R1365-F1396 HydrophobicContact CB-CE1 4.19Å; R1365-F1396 HydrophobicContact CB-CZ 3.95Å; R1365-F1396 HydrophobicContact CG-CE1 4Å; R1365-F1396 HydrophobicContact CG-CZ 3.92Å; R1365-K1405 HydrophobicContact CB-CD 4.49Å; R1365-K1405 WeakPolarHBondContact O-CE 3.47Å
1366R95.6Very high84.9Confident88 Ų8874.6 Ų74.633%0.33236%0.357SS..Hα-helixtrans-92-44.9169.9-73.1174-178.5152.59.5111.2L1362 H1363 I1364 L1368 V1369 L1370 E1408 I1409 R1412L1362-R1366 WeakPolarHBondContact O-CG 3.47Å; H1363-R1366 WeakPolarHBondContact O-CA 3.38Å; H1363-R1366 WeakPolarHBondContact O-CB 3.49Å; H1363-R1366 PolarHBondContact O-N 3.44Å; I1364-R1366 PolarHBondContact O-N 2.83Å; R1366-L1368 VanDerWaalsContact C-N 3.34Å; R1366-L1368 PolarHBondContact O-N 3.21Å; R1366-V1369 PolarHBondContact O-N 2.96Å; R1366-L1370 WeakPolarHBondContact O-CG 3.5Å; R1366-L1370 PolarHBondContact O-N 3.07Å; R1366-E1408 IonicContact NE-OE1 2.7Å; R1366-E1408 IonicContact NH2-OE1 3.1Å; R1366-I1409 HydrophobicContact CB-CD1 4.21Å; R1366-I1409 HydrophobicContact CG-CD1 3.93Å; R1366-I1409 HydrophobicContact CG-CG1 4.38Å; R1366-R1412 VanDerWaalsContact NH2-NH1 3.13Å
1367K95.1Very high87.2Confident119 Ų11970.4 Ų70.452%0.51734%0.342SS..Hα-helixtrans-55.3-49175.6-171.7174-1791770111H1363 I1364 V1369 L1370 Q1371H1363-K1367 PolarHBondContact O-N 2.87Å; I1364-K1367 PolarHBondContact O-N 3.36Å; I1364-K1367 VanDerWaalsContact O-N 3.08Å; K1367-V1369 PolarHBondContact O-N 2.94Å; K1367-L1370 PolarHBondContact O-N 3.26Å; K1367-L1370 VanDerWaalsContact O-N 3.15Å; K1367-Q1371 PolarHBondContact O-N 3.07Å
1368L97Very high89.3Confident5 Ų566.9 Ų66.93%0.02633%0.33CS..Hα-helixtrans-58.6-40.7178.5-68175.3000113.5I1364 R1366 Q1371 L1372 F1388 Y1392 Y1395 F1396I1364-L1368 HydrophobicContact CG2-CD1 4.01Å; I1364-L1368 HydrophobicContact CG2-CG 4.29Å; I1364-L1368 WeakPolarHBondContact O-CG 3.16Å; I1364-L1368 PolarHBondContact O-N 2.91Å; R1366-L1368 VanDerWaalsContact C-N 3.34Å; R1366-L1368 PolarHBondContact O-N 3.21Å; L1368-Q1371 PolarHBondContact O-N 3.38Å; L1368-L1372 WeakPolarHBondContact O-CB 3.39Å; L1368-L1372 PolarHBondContact O-N 2.99Å; L1368-F1388 HydrophobicContact CB-CE1 4.19Å; L1368-F1388 HydrophobicContact CB-CZ 4.03Å; L1368-F1388 WeakPolarHBondContact O-CZ 3.48Å; L1368-Y1392 HydrophobicContact CD1-CD1 3.85Å; L1368-Y1392 HydrophobicContact CD1-CE1 4.42Å; L1368-Y1392 HydrophobicContact CD1-CG 4.1Å; L1368-Y1392 HydrophobicContact CD2-CD1 3.77Å; L1368-Y1392 HydrophobicContact CD2-CD2 4.49Å; L1368-Y1392 HydrophobicContact CD2-CE1 3.49Å; L1368-Y1392 VanDerWaalsContact CD2-CE1 3.49Å; L1368-Y1392 HydrophobicContact CD2-CE2 4.27Å; L1368-Y1392 HydrophobicContact CD2-CG 4.27Å; L1368-Y1392 HydrophobicContact CG-CD1 4.47Å; L1368-Y1395 HydrophobicContact CD1-CD2 3.63Å; L1368-Y1395 HydrophobicContact CD1-CE2 4.29Å; L1368-Y1395 HydrophobicContact CD1-CG 3.84Å; L1368-F1396 HydrophobicContact CB-CE2 4.14Å; L1368-F1396 HydrophobicContact CD1-CE2 4Å
1369V96.9Very high91.2Very high0 Ų069.6 Ų69.60%033%0.329CS..Hα-helixtrans-78.9-24.1179.1174.70000112.5R1366 K1367 F1373 F1396 L1402 K1405 I1406 I1409R1366-V1369 PolarHBondContact O-N 2.96Å; K1367-V1369 PolarHBondContact O-N 2.94Å; V1369-F1373 HydrophobicContact CG1-CE1 4.09Å; V1369-F1373 HydrophobicContact CG1-CE2 4.1Å; V1369-F1373 HydrophobicContact CG1-CZ 3.86Å; V1369-F1373 VanDerWaalsContact O-CG 3.24Å; V1369-F1373 WeakPolarHBondContact O-CG 3.45Å; V1369-F1373 PolarHBondContact O-N 3.47Å; V1369-F1373 VanDerWaalsContact O-N 3.12Å; V1369-F1396 HydrophobicContact CG2-CE1 4.32Å; V1369-F1396 HydrophobicContact CG2-CE2 4.49Å; V1369-F1396 HydrophobicContact CG2-CZ 3.76Å; V1369-L1402 HydrophobicContact CG2-CD1 3.68Å; V1369-K1405 HydrophobicContact CG2-CB 4.17Å; V1369-K1405 HydrophobicContact CG2-CG 3.81Å; V1369-I1406 HydrophobicContact CG1-CG1 3.93Å; V1369-I1409 HydrophobicContact CB-CD1 3.61Å; V1369-I1409 HydrophobicContact CG1-CB 4.37Å; V1369-I1409 HydrophobicContact CG1-CD1 3.67Å; V1369-I1409 HydrophobicContact CG2-CD1 4.35Å
1370L95.5Very high93Very high84 Ų8461.6 Ų61.644%0.4430%0.301SS..Hα-helixtrans-71.3-40.9169.1-70.4169.8000111.1R1366 K1367 F1373 Q1374 I1409 I1413R1366-L1370 WeakPolarHBondContact O-CG 3.5Å; R1366-L1370 PolarHBondContact O-N 3.07Å; K1367-L1370 PolarHBondContact O-N 3.26Å; K1367-L1370 VanDerWaalsContact O-N 3.15Å; L1370-F1373 CarbonylContact O-C 3.53Å; L1370-F1373 WeakPolarHBondContact O-CA 3.49Å; L1370-F1373 PolarHBondContact O-N 2.91Å; L1370-F1373 VanDerWaalsContact O-N 3.09Å; L1370-Q1374 PolarHBondContact O-N 3.09Å; L1370-I1409 HydrophobicContact CD2-CG2 3.91Å; L1370-I1409 HydrophobicContact CG-CG2 4.46Å; L1370-I1413 HydrophobicContact CD2-CD1 4.31Å
1371Q95.3Very high93.7Very high41 Ų4162 Ų6219%0.19230%0.303CS..Hα-helixtrans-59-47.6171.3-177.6177.4-9.500111.3K1367 L1368 F1373 Q1374 E1375K1367-Q1371 PolarHBondContact O-N 3.07Å; L1368-Q1371 PolarHBondContact O-N 3.38Å; Q1371-F1373 PolarHBondContact O-N 3.37Å; Q1371-Q1374 WeakPolarHBondContact O-CB 3.48Å; Q1371-Q1374 PolarHBondContact O-N 3.16Å; Q1371-E1375 WeakPolarHBondContact O-CB 3.38Å; Q1371-E1375 PolarHBondContact O-N 3.12Å
1372L96.8Very high94.1Very high0 Ų064.9 Ų64.90%032%0.316CS..Hα-helixtrans-55.5-34.6172.4179.569.7000113L1368 Y1376 P1380 V1384 F1388 L1402 I1406L1368-L1372 WeakPolarHBondContact O-CB 3.39Å; L1368-L1372 PolarHBondContact O-N 2.99Å; L1372-Y1376 HydrophobicContact CD1-CD2 3.77Å; L1372-Y1376 HydrophobicContact CD1-CE2 4.29Å; L1372-Y1376 PolarHBondContact O-N 2.93Å; L1372-P1380 HydrophobicContact CD1-CB 4.16Å; L1372-P1380 HydrophobicContact CD2-CB 4.47Å; L1372-P1380 HydrophobicContact CD2-CG 4.02Å; L1372-P1380 HydrophobicContact CG-CB 4.24Å; L1372-P1380 HydrophobicContact CG-CG 4.15Å; L1372-V1384 HydrophobicContact CD1-CG1 3.84Å; L1372-F1388 HydrophobicContact CB-CD2 4.31Å; L1372-F1388 HydrophobicContact CB-CE1 4.38Å; L1372-F1388 HydrophobicContact CB-CE2 3.96Å; L1372-F1388 HydrophobicContact CB-CZ 4.02Å; L1372-F1388 HydrophobicContact CD1-CB 4.05Å; L1372-F1388 HydrophobicContact CD1-CD1 4.39Å; L1372-F1388 HydrophobicContact CD1-CD2 3.64Å; L1372-F1388 HydrophobicContact CD1-CE2 4.16Å; L1372-F1388 HydrophobicContact CD1-CG 3.78Å; L1372-F1388 HydrophobicContact CD2-CD1 4.32Å; L1372-F1388 HydrophobicContact CD2-CG 4.48Å; L1372-F1388 HydrophobicContact CG-CD2 4.47Å; L1372-L1402 HydrophobicContact CD2-CD1 4.38Å; L1372-I1406 HydrophobicContact CD2-CD1 3.71Å; L1372-I1406 HydrophobicContact CD2-CG1 4.04Å
1373F97.2Very high94.5Very high3 Ų365.6 Ų65.61%0.01333%0.325CS..Hα-helixtrans-81.2-19.6176-68.5-12.5000114.4V1369 L1370 Q1371 G1377 L1378 P1380 I1406 I1409 R1410 I1413 F1421V1369-F1373 HydrophobicContact CG1-CE1 4.09Å; V1369-F1373 HydrophobicContact CG1-CE2 4.1Å; V1369-F1373 HydrophobicContact CG1-CZ 3.86Å; V1369-F1373 VanDerWaalsContact O-CG 3.24Å; V1369-F1373 WeakPolarHBondContact O-CG 3.45Å; V1369-F1373 PolarHBondContact O-N 3.47Å; V1369-F1373 VanDerWaalsContact O-N 3.12Å; L1370-F1373 CarbonylContact O-C 3.53Å; L1370-F1373 WeakPolarHBondContact O-CA 3.49Å; L1370-F1373 PolarHBondContact O-N 2.91Å; L1370-F1373 VanDerWaalsContact O-N 3.09Å; Q1371-F1373 PolarHBondContact O-N 3.37Å; F1373-G1377 WeakPolarHBondContact CA-O 3.26Å; F1373-G1377 WeakPolarHBondContact CD1-O 3.27Å; F1373-G1377 CarbonylContact O-C 3.2Å; F1373-G1377 WeakPolarHBondContact O-CA 3.45Å; F1373-G1377 PolarHBondContact O-N 3.14Å; F1373-G1377 VanDerWaalsContact O-N 3.17Å; F1373-L1378 HydrophobicContact CD2-CD2 4.14Å; F1373-L1378 HydrophobicContact CE2-CD2 4.25Å; F1373-P1380 HydrophobicContact CE1-CG 4.4Å; F1373-I1406 HydrophobicContact CE1-CB 4.33Å; F1373-I1406 HydrophobicContact CE1-CG1 4.07Å; F1373-I1406 HydrophobicContact CE1-CG2 3.88Å; F1373-I1406 HydrophobicContact CZ-CB 4.26Å; F1373-I1406 HydrophobicContact CZ-CG1 4.37Å; F1373-I1406 HydrophobicContact CZ-CG2 3.91Å; F1373-I1409 HydrophobicContact CD2-CG2 4.42Å; F1373-I1409 HydrophobicContact CE2-CB 4.27Å; F1373-I1409 HydrophobicContact CE2-CG2 3.91Å; F1373-R1410 HydrophobicContact CE2-CB 4.07Å; F1373-R1410 HydrophobicContact CZ-CB 4.01Å; F1373-I1413 HydrophobicContact CD2-CD1 4.04Å; F1373-I1413 HydrophobicContact CE2-CD1 4.15Å; F1373-F1421 HydrophobicContact CB-CZ 4.14Å
1374Q94.3Very high94.9Very high156 Ų15660.8 Ų60.873%0.72930%0.304SS*.Hα-helixtrans-78.9-38.3172.3-177.2175.3-1.500110.7L1370 Q1371L1370-Q1374 PolarHBondContact O-N 3.09Å; Q1371-Q1374 WeakPolarHBondContact O-CB 3.48Å; Q1371-Q1374 PolarHBondContact O-N 3.16Å
1375E94.1Very high95.1Very high91 Ų9159.8 Ų59.843%0.42530%0.299SS..Hα-helixtrans-83.4-38.6-176.3-166.2179.2-166.400113Q1371Q1371-E1375 WeakPolarHBondContact O-CB 3.38Å; Q1371-E1375 PolarHBondContact O-N 3.12Å
1376Y94.4Very high95.2Very high97 Ų9760.5 Ų60.538%0.3831%0.306SS..SBendtrans-128.214.2-176.4-54.7-88.6000114.2L1372 V1384L1372-Y1376 HydrophobicContact CD1-CD2 3.77Å; L1372-Y1376 HydrophobicContact CD1-CE2 4.29Å; L1372-Y1376 PolarHBondContact O-N 2.93Å; Y1376-V1384 HydrophobicContact CD1-CB 4.29Å; Y1376-V1384 HydrophobicContact CD1-CG1 3.68Å; Y1376-V1384 HydrophobicContact CD1-CG2 3.6Å; Y1376-V1384 HydrophobicContact CD2-CG1 3.51Å; Y1376-V1384 HydrophobicContact CE1-CB 4.38Å; Y1376-V1384 HydrophobicContact CE1-CG1 3.9Å; Y1376-V1384 HydrophobicContact CE1-CG2 3.52Å; Y1376-V1384 HydrophobicContact CE2-CG1 3.73Å; Y1376-V1384 HydrophobicContact CG-CB 4.5Å; Y1376-V1384 HydrophobicContact CG-CG1 3.47Å; Y1376-V1384 VanDerWaalsContact CG-CG1 3.47Å; Y1376-V1384 HydrophobicContact CG-CG2 4.28Å
1377G92.3Very high95.1Very high32 Ų3261.7 Ų61.733%0.3332%0.315SS..THydrogen-bonded Turntrans70.9-175.5177.200000115.4F1373 F1379 P1380F1373-G1377 WeakPolarHBondContact CA-O 3.26Å; F1373-G1377 WeakPolarHBondContact CD1-O 3.27Å; F1373-G1377 CarbonylContact O-C 3.2Å; F1373-G1377 WeakPolarHBondContact O-CA 3.45Å; F1373-G1377 PolarHBondContact O-N 3.14Å; F1373-G1377 VanDerWaalsContact O-N 3.17Å; G1377-F1379 PolarHBondContact O-N 2.86Å; G1377-F1379 VanDerWaalsContact O-N 3.09Å; G1377-P1380 WeakPolarHBondContact O-CD 3.24Å
1378L92.8Very high95.2Very high56 Ų5656.5 Ų56.529%0.29329%0.293SS..THydrogen-bonded Turntrans-70.2-1.4-176.4-80.9158.1000115.3F1373 R1410 I1413 F1421F1373-L1378 HydrophobicContact CD2-CD2 4.14Å; F1373-L1378 HydrophobicContact CE2-CD2 4.25Å; L1378-R1410 HydrophobicContact CD2-CB 4.41Å; L1378-R1410 HydrophobicContact CD2-CG 4.05Å; L1378-R1410 VanDerWaalsContact O-CD 3.28Å; L1378-R1410 WeakPolarHBondContact O-CD 3.32Å; L1378-R1410 PolarHBondContact O-NH1 3.32Å; L1378-I1413 HydrophobicContact CD2-CD1 4.2Å; L1378-I1413 HydrophobicContact CD2-CG2 4.39Å; L1378-F1421 HydrophobicContact CD1-CE2 3.94Å; L1378-F1421 HydrophobicContact CD1-CZ 4.44Å; L1378-F1421 HydrophobicContact CD2-CE2 4.01Å; L1378-F1421 HydrophobicContact CD2-CZ 4.31Å; L1378-F1421 HydrophobicContact CG-CE2 4Å; L1378-F1421 HydrophobicContact CG-CZ 4.11Å
1379F94.6Very high95.2Very high155 Ų15557.8 Ų57.868%0.6830%0.299SS*.SBendtrans-141.259.9-175.3-66.5-113.6000110.7G1377 R1410G1377-F1379 PolarHBondContact O-N 2.86Å; G1377-F1379 VanDerWaalsContact O-N 3.09Å; F1379-R1410 VanDerWaalsContact CD2-NH1 3.27Å; F1379-R1410 VanDerWaalsContact CE2-NH1 3.34Å; F1379-R1410 VanDerWaalsContact CZ-CZ 3.42Å; F1379-R1410 VanDerWaalsContact CZ-NH1 3.34Å
1380P95Very high95.1Very high12 Ų1263.9 Ų63.98%0.07833%0.327CS..  trans-60.1142-179.225.7-33.6000111.2L1372 F1373 G1377 V1384 I1385 I1406L1372-P1380 HydrophobicContact CD1-CB 4.16Å; L1372-P1380 HydrophobicContact CD2-CB 4.47Å; L1372-P1380 HydrophobicContact CD2-CG 4.02Å; L1372-P1380 HydrophobicContact CG-CB 4.24Å; L1372-P1380 HydrophobicContact CG-CG 4.15Å; F1373-P1380 HydrophobicContact CE1-CG 4.4Å; G1377-P1380 WeakPolarHBondContact O-CD 3.24Å; P1380-V1384 HydrophobicContact CB-CG1 3.91Å; P1380-I1385 HydrophobicContact CB-CG1 4Å; P1380-I1385 HydrophobicContact CG-CD1 4.1Å; P1380-I1385 HydrophobicContact CG-CG1 3.89Å; P1380-I1385 VanDerWaalsContact O-CD1 3.29Å; P1380-I1385 WeakPolarHBondContact O-CD1 3.28Å; P1380-I1406 HydrophobicContact CG-CD1 4.04Å
1381S95.3Very high95Very high60 Ų6063.4 Ų63.442%0.4233%0.33SS..  trans-71.4163.4-173.573.90000113V1384 I1385S1381-V1384 PolarHBondContact O-N 3.38Å; S1381-V1384 WeakPolarHBondContact OG-CB 3.29Å; S1381-V1384 VanDerWaalsContact OG-CG2 3.26Å; S1381-V1384 WeakPolarHBondContact OG-CG2 3.43Å; S1381-V1384 PolarHBondContact OG-N 3.49Å; S1381-I1385 VanDerWaalsContact O-CG1 3.31Å; S1381-I1385 WeakPolarHBondContact O-CG1 3.42Å; S1381-I1385 PolarHBondContact O-N 2.96Å
1382I93.9Very high95Very high106 Ų10664.1 Ų64.154%0.54433%0.331SS..Hα-helixtrans-57.4-44.8179.2-84.5173.1000113.2T1386I1382-T1386 PolarHBondContact O-N 2.99Å; I1382-T1386 PolarHBondContact O-OG1 3.15Å
1383P95.6Very high94.9Very high91 Ų9166.2 Ų66.259%0.59135%0.348SS*.Hα-helixtrans-60.7-48.9172.7-25.936000112.4I1385 T1386 H1387P1383-I1385 PolarHBondContact O-N 3.35Å; P1383-T1386 WeakPolarHBondContact O-CA 3.49Å; P1383-T1386 WeakPolarHBondContact O-CB 3.49Å; P1383-T1386 PolarHBondContact O-N 3.01Å; P1383-H1387 PolarHBondContact O-N 3.26Å
1384V95.1Very high94.6Very high24 Ų2470 Ų7015%0.14538%0.375CS..Hα-helixtrans-57.5-46.9180164.90000112L1372 Y1376 P1380 S1381 T1386 H1387 F1388L1372-V1384 HydrophobicContact CD1-CG1 3.84Å; Y1376-V1384 HydrophobicContact CD1-CB 4.29Å; Y1376-V1384 HydrophobicContact CD1-CG1 3.68Å; Y1376-V1384 HydrophobicContact CD1-CG2 3.6Å; Y1376-V1384 HydrophobicContact CD2-CG1 3.51Å; Y1376-V1384 HydrophobicContact CE1-CB 4.38Å; Y1376-V1384 HydrophobicContact CE1-CG1 3.9Å; Y1376-V1384 HydrophobicContact CE1-CG2 3.52Å; Y1376-V1384 HydrophobicContact CE2-CG1 3.73Å; Y1376-V1384 HydrophobicContact CG-CB 4.5Å; Y1376-V1384 HydrophobicContact CG-CG1 3.47Å; Y1376-V1384 VanDerWaalsContact CG-CG1 3.47Å; Y1376-V1384 HydrophobicContact CG-CG2 4.28Å; P1380-V1384 HydrophobicContact CB-CG1 3.91Å; S1381-V1384 PolarHBondContact O-N 3.38Å; S1381-V1384 WeakPolarHBondContact OG-CB 3.29Å; S1381-V1384 VanDerWaalsContact OG-CG2 3.26Å; S1381-V1384 WeakPolarHBondContact OG-CG2 3.43Å; S1381-V1384 PolarHBondContact OG-N 3.49Å; V1384-T1386 PolarHBondContact O-N 2.97Å; V1384-H1387 PolarHBondContact O-N 2.8Å; V1384-F1388 VanDerWaalsContact O-CB 3.27Å; V1384-F1388 WeakPolarHBondContact O-CB 3.26Å; V1384-F1388 PolarHBondContact O-N 2.9Å
1385I96.1Very high94.6Very high14 Ų1465.7 Ų65.77%0.07235%0.352CS..Hα-helixtrans-60.4-32.6175.8-67.8172.5000111.1P1380 S1381 P1383 Q1389 R1399 L1402 Q1403 I1406P1380-I1385 HydrophobicContact CB-CG1 4Å; P1380-I1385 HydrophobicContact CG-CD1 4.1Å; P1380-I1385 HydrophobicContact CG-CG1 3.89Å; P1380-I1385 VanDerWaalsContact O-CD1 3.29Å; P1380-I1385 WeakPolarHBondContact O-CD1 3.28Å; S1381-I1385 VanDerWaalsContact O-CG1 3.31Å; S1381-I1385 WeakPolarHBondContact O-CG1 3.42Å; S1381-I1385 PolarHBondContact O-N 2.96Å; P1383-I1385 PolarHBondContact O-N 3.35Å; I1385-Q1389 VanDerWaalsContact O-CB 3.26Å; I1385-Q1389 WeakPolarHBondContact O-CB 3.14Å; I1385-Q1389 PolarHBondContact O-N 3.45Å; I1385-Q1389 VanDerWaalsContact O-N 3.14Å; I1385-R1399 HydrophobicContact CG2-CG 4.04Å; I1385-L1402 HydrophobicContact CG2-CD2 3.97Å; I1385-L1402 HydrophobicContact CG2-CG 4.36Å; I1385-L1402 WeakPolarHBondContact O-CD2 3.31Å; I1385-Q1403 HydrophobicContact CD1-CG 4.46Å; I1385-Q1403 HydrophobicContact CG2-CG 3.93Å; I1385-I1406 HydrophobicContact CD1-CD1 3.94Å; I1385-I1406 HydrophobicContact CG1-CD1 3.91Å; I1385-I1406 HydrophobicContact CG2-CD1 4.44Å
1386T95.6Very high94.7Very high37 Ų3761.5 Ų61.523%0.22733%0.333CS..Hα-helixtrans-75-49.7-179.9-50.10000110.7I1382 P1383 V1384 F1388 Q1389 Q1390 R1399I1382-T1386 PolarHBondContact O-N 2.99Å; I1382-T1386 PolarHBondContact O-OG1 3.15Å; P1383-T1386 WeakPolarHBondContact O-CA 3.49Å; P1383-T1386 WeakPolarHBondContact O-CB 3.49Å; P1383-T1386 PolarHBondContact O-N 3.01Å; V1384-T1386 PolarHBondContact O-N 2.97Å; T1386-F1388 PolarHBondContact O-N 3.19Å; T1386-Q1389 PolarHBondContact O-N 3.42Å; T1386-Q1389 VanDerWaalsContact O-N 3.16Å; T1386-Q1390 WeakPolarHBondContact O-CG 3.47Å; T1386-Q1390 PolarHBondContact O-N 3.18Å; T1386-Q1390 PolarHBondContact O-OE1 3.41Å; T1386-R1399 WeakPolarHBondContact OG1-CD 3.38Å; T1386-R1399 PolarHBondContact OG1-NH1 3.2Å
1387H95.2Very high94.7Very high113 Ų11360.1 Ų60.152%0.52334%0.335SS..Hα-helixtrans-58.2-48.8176-176.6-110.5000111.9P1383 V1384 Q1389 Q1390 C1391P1383-H1387 PolarHBondContact O-N 3.26Å; V1384-H1387 PolarHBondContact O-N 2.8Å; H1387-Q1389 VanDerWaalsContact C-N 3.28Å; H1387-Q1389 PolarHBondContact O-N 3Å; H1387-Q1390 WeakPolarHBondContact O-CB 3.36Å; H1387-Q1390 PolarHBondContact O-N 3.1Å; H1387-Q1390 VanDerWaalsContact O-N 3.1Å; H1387-C1391 PolarHBondContact O-N 3.4Å; H1387-C1391 PolarHBondContact O-SG 2.98Å
1388F97.1Very high94.8Very high10 Ų1061 Ų614%0.04434%0.336CS..Hα-helixtrans-62.4-34.4177.4-166.4-84.1000112.2L1368 L1372 V1384 T1386 Y1392 F1396 L1402L1368-F1388 HydrophobicContact CB-CE1 4.19Å; L1368-F1388 HydrophobicContact CB-CZ 4.03Å; L1368-F1388 WeakPolarHBondContact O-CZ 3.48Å; L1372-F1388 HydrophobicContact CB-CD2 4.31Å; L1372-F1388 HydrophobicContact CB-CE1 4.38Å; L1372-F1388 HydrophobicContact CB-CE2 3.96Å; L1372-F1388 HydrophobicContact CB-CZ 4.02Å; L1372-F1388 HydrophobicContact CD1-CB 4.05Å; L1372-F1388 HydrophobicContact CD1-CD1 4.39Å; L1372-F1388 HydrophobicContact CD1-CD2 3.64Å; L1372-F1388 HydrophobicContact CD1-CE2 4.16Å; L1372-F1388 HydrophobicContact CD1-CG 3.78Å; L1372-F1388 HydrophobicContact CD2-CD1 4.32Å; L1372-F1388 HydrophobicContact CD2-CG 4.48Å; L1372-F1388 HydrophobicContact CG-CD2 4.47Å; V1384-F1388 VanDerWaalsContact O-CB 3.27Å; V1384-F1388 WeakPolarHBondContact O-CB 3.26Å; V1384-F1388 PolarHBondContact O-N 2.9Å; T1386-F1388 PolarHBondContact O-N 3.19Å; F1388-Y1392 AromaticContact CD1-CD2 3.74Å; F1388-Y1392 HydrophobicContact CD1-CD2 3.74Å; F1388-Y1392 HydrophobicContact CD1-CE2 4.4Å; F1388-Y1392 HydrophobicContact CD2-CD2 4.04Å; F1388-Y1392 AromaticContact CD2-CE2 3.92Å; F1388-Y1392 HydrophobicContact CD2-CE2 3.92Å; F1388-Y1392 AromaticContact CE1-CD2 3.46Å; F1388-Y1392 HydrophobicContact CE1-CD2 3.46Å; F1388-Y1392 VanDerWaalsContact CE1-CD2 3.46Å; F1388-Y1392 AromaticContact CE1-CE2 3.99Å; F1388-Y1392 HydrophobicContact CE1-CE2 3.99Å; F1388-Y1392 HydrophobicContact CE1-CG 4.26Å; F1388-Y1392 AromaticContact CE2-CD2 3.79Å; F1388-Y1392 HydrophobicContact CE2-CD2 3.79Å; F1388-Y1392 AromaticContact CE2-CE2 3.46Å; F1388-Y1392 HydrophobicContact CE2-CE2 3.46Å; F1388-Y1392 VanDerWaalsContact CE2-CE2 3.46Å; F1388-Y1392 HydrophobicContact CG-CD2 4.01Å; F1388-Y1392 HydrophobicContact CG-CE2 4.37Å; F1388-Y1392 AromaticContact CZ-CD2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CD2 3.48Å; F1388-Y1392 VanDerWaalsContact CZ-CD2 3.48Å; F1388-Y1392 AromaticContact CZ-CE2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CE2 3.48Å; F1388-Y1392 VanDerWaalsContact CZ-CE2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CG 4.46Å; F1388-Y1392 WeakPolarHBondContact O-CD2 3.19Å; F1388-Y1392 PolarHBondContact O-N 3.35Å; F1388-Y1392 VanDerWaalsContact O-N 3.07Å; F1388-F1396 HydrophobicContact CE1-CE2 4.42Å; F1388-L1402 HydrophobicContact CB-CD2 4.36Å; F1388-L1402 HydrophobicContact CD1-CD1 4.29Å; F1388-L1402 HydrophobicContact CD1-CD2 3.83Å; F1388-L1402 HydrophobicContact CE1-CD1 4.47Å
1389Q95.9Very high94.9Very high31 Ų3162.4 Ų62.415%0.14534%0.338CS..Hα-helixtrans-70.3-34174.8-172-101.1-73.700112.7I1385 T1386 H1387 Y1392 A1393 F1396 R1399 L1402I1385-Q1389 VanDerWaalsContact O-CB 3.26Å; I1385-Q1389 WeakPolarHBondContact O-CB 3.14Å; I1385-Q1389 PolarHBondContact O-N 3.45Å; I1385-Q1389 VanDerWaalsContact O-N 3.14Å; T1386-Q1389 PolarHBondContact O-N 3.42Å; T1386-Q1389 VanDerWaalsContact O-N 3.16Å; H1387-Q1389 VanDerWaalsContact C-N 3.28Å; H1387-Q1389 PolarHBondContact O-N 3Å; Q1389-Y1392 CarbonylContact O-C 2.89Å; Q1389-A1393 WeakPolarHBondContact O-CA 3.31Å; Q1389-A1393 PolarHBondContact O-N 2.83Å; Q1389-F1396 HydrophobicContact CG-CB 4.06Å; Q1389-F1396 VanDerWaalsContact CG-O 3.3Å; Q1389-F1396 WeakPolarHBondContact CG-O 3.43Å; Q1389-F1396 PolarHBondContact NE2-O 3.39Å; Q1389-F1396 VanDerWaalsContact NE2-O 3.13Å; Q1389-R1399 HydrophobicContact CG-CB 4.49Å; Q1389-L1402 HydrophobicContact CB-CD2 3.84Å
1390Q94.7Very high94.9Very high128 Ų12861.9 Ų61.960%0.59834%0.338SS*.Hα-helixtrans-66.8-49.2173.5-70.5164-42.900110.5T1386 H1387 Y1392 A1393T1386-Q1390 WeakPolarHBondContact O-CG 3.47Å; T1386-Q1390 PolarHBondContact O-N 3.18Å; T1386-Q1390 PolarHBondContact O-OE1 3.41Å; H1387-Q1390 WeakPolarHBondContact O-CB 3.36Å; H1387-Q1390 PolarHBondContact O-N 3.1Å; H1387-Q1390 VanDerWaalsContact O-N 3.1Å; Q1390-Y1392 VanDerWaalsContact C-N 3.27Å; Q1390-Y1392 PolarHBondContact O-N 2.97Å; Q1390-A1393 PolarHBondContact O-N 3.19Å
1391C94.8Very high94.9Very high74 Ų7462.7 Ų62.750%0.535%0.345SS..Hα-helixtrans-57-37.6177.1-62.30000113.1H1387H1387-C1391 PolarHBondContact O-N 3.4Å; H1387-C1391 PolarHBondContact O-SG 2.98Å
1392Y95.5Very high95Very high57 Ų5759.9 Ų59.922%0.22433%0.325CS..THydrogen-bonded Turntrans-114.333.6-177-62.1-73.3000113.2L1368 F1388 Q1389 Q1390 C1394 Y1395 F1396L1368-Y1392 HydrophobicContact CD1-CD1 3.85Å; L1368-Y1392 HydrophobicContact CD1-CE1 4.42Å; L1368-Y1392 HydrophobicContact CD1-CG 4.1Å; L1368-Y1392 HydrophobicContact CD2-CD1 3.77Å; L1368-Y1392 HydrophobicContact CD2-CD2 4.49Å; L1368-Y1392 HydrophobicContact CD2-CE1 3.49Å; L1368-Y1392 VanDerWaalsContact CD2-CE1 3.49Å; L1368-Y1392 HydrophobicContact CD2-CE2 4.27Å; L1368-Y1392 HydrophobicContact CD2-CG 4.27Å; L1368-Y1392 HydrophobicContact CG-CD1 4.47Å; F1388-Y1392 AromaticContact CD1-CD2 3.74Å; F1388-Y1392 HydrophobicContact CD1-CD2 3.74Å; F1388-Y1392 HydrophobicContact CD1-CE2 4.4Å; F1388-Y1392 HydrophobicContact CD2-CD2 4.04Å; F1388-Y1392 AromaticContact CD2-CE2 3.92Å; F1388-Y1392 HydrophobicContact CD2-CE2 3.92Å; F1388-Y1392 AromaticContact CE1-CD2 3.46Å; F1388-Y1392 HydrophobicContact CE1-CD2 3.46Å; F1388-Y1392 VanDerWaalsContact CE1-CD2 3.46Å; F1388-Y1392 AromaticContact CE1-CE2 3.99Å; F1388-Y1392 HydrophobicContact CE1-CE2 3.99Å; F1388-Y1392 HydrophobicContact CE1-CG 4.26Å; F1388-Y1392 AromaticContact CE2-CD2 3.79Å; F1388-Y1392 HydrophobicContact CE2-CD2 3.79Å; F1388-Y1392 AromaticContact CE2-CE2 3.46Å; F1388-Y1392 HydrophobicContact CE2-CE2 3.46Å; F1388-Y1392 VanDerWaalsContact CE2-CE2 3.46Å; F1388-Y1392 HydrophobicContact CG-CD2 4.01Å; F1388-Y1392 HydrophobicContact CG-CE2 4.37Å; F1388-Y1392 AromaticContact CZ-CD2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CD2 3.48Å; F1388-Y1392 VanDerWaalsContact CZ-CD2 3.48Å; F1388-Y1392 AromaticContact CZ-CE2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CE2 3.48Å; F1388-Y1392 VanDerWaalsContact CZ-CE2 3.48Å; F1388-Y1392 HydrophobicContact CZ-CG 4.46Å; F1388-Y1392 WeakPolarHBondContact O-CD2 3.19Å; F1388-Y1392 PolarHBondContact O-N 3.35Å; F1388-Y1392 VanDerWaalsContact O-N 3.07Å; Q1389-Y1392 CarbonylContact O-C 2.89Å; Q1390-Y1392 VanDerWaalsContact C-N 3.27Å; Q1390-Y1392 PolarHBondContact O-N 2.97Å; Y1392-C1394 VanDerWaalsContact C-N 3.27Å; Y1392-C1394 PolarHBondContact O-N 3.06Å; Y1392-Y1395 HydrophobicContact CD1-CD2 4.38Å; Y1392-Y1395 CarbonylContact O-C 3.54Å; Y1392-Y1395 WeakPolarHBondContact O-CA 3.45Å; Y1392-Y1395 PolarHBondContact O-N 3.29Å; Y1392-F1396 PolarHBondContact O-N 2.72Å
1393A94.1Very high95.1Very high43 Ų4356.8 Ų56.836%0.35531%0.309SS..THydrogen-bonded Turntrans-57-35.6-173.800000114Q1389 Q1390 Y1395 F1396 P1397Q1389-A1393 WeakPolarHBondContact O-CA 3.31Å; Q1389-A1393 PolarHBondContact O-N 2.83Å; Q1390-A1393 PolarHBondContact O-N 3.19Å; A1393-Y1395 PolarHBondContact O-N 3.08Å; A1393-F1396 CarbonylContact O-C 3.51Å; A1393-F1396 PolarHBondContact O-N 3.36Å; A1393-P1397 WeakPolarHBondContact O-CA 3.46Å
1394C91.4Very high95Very high84 Ų8457.7 Ų57.757%0.56831%0.308SS*.THydrogen-bonded Turntrans-60.4-30.1174.259.70000113.2Y1392Y1392-C1394 VanDerWaalsContact C-N 3.27Å; Y1392-C1394 PolarHBondContact O-N 3.06Å
1395Y94.2Very high95.1Very high65 Ų6557.2 Ų57.226%0.25530%0.304SS..THydrogen-bonded Turntrans-90.8-32.7173.1-64.9-69.8000112.1I1364 R1365 L1368 Y1392 A1393I1364-Y1395 HydrophobicContact CB-CE1 4.12Å; I1364-Y1395 HydrophobicContact CD1-CE1 4.12Å; I1364-Y1395 HydrophobicContact CG2-CD1 3.93Å; I1364-Y1395 HydrophobicContact CG2-CE1 3.53Å; I1364-Y1395 HydrophobicContact CG2-CE2 4.17Å; I1364-Y1395 HydrophobicContact CG2-CG 4.41Å; R1365-Y1395 PolarHBondContact NE-O 3.17Å; R1365-Y1395 PolarHBondContact NH2-O 2.69Å; L1368-Y1395 HydrophobicContact CD1-CD2 3.63Å; L1368-Y1395 HydrophobicContact CD1-CE2 4.29Å; L1368-Y1395 HydrophobicContact CD1-CG 3.84Å; Y1392-Y1395 HydrophobicContact CD1-CD2 4.38Å; Y1392-Y1395 CarbonylContact O-C 3.54Å; Y1392-Y1395 WeakPolarHBondContact O-CA 3.45Å; Y1392-Y1395 PolarHBondContact O-N 3.29Å; A1393-Y1395 PolarHBondContact O-N 3.08Å
1396F96.3Very high95.1Very high3 Ų357.4 Ų57.41%0.01331%0.305CS..  trans-126.884.6-178.8-58.8-75.5000110.9R1365 L1368 V1369 F1388 Q1389 Y1392 A1393 S1398 L1402 K1405R1365-F1396 HydrophobicContact CB-CE1 4.19Å; R1365-F1396 HydrophobicContact CB-CZ 3.95Å; R1365-F1396 HydrophobicContact CG-CE1 4Å; R1365-F1396 HydrophobicContact CG-CZ 3.92Å; L1368-F1396 HydrophobicContact CB-CE2 4.14Å; L1368-F1396 HydrophobicContact CD1-CE2 4Å; V1369-F1396 HydrophobicContact CG2-CE1 4.32Å; V1369-F1396 HydrophobicContact CG2-CE2 4.49Å; V1369-F1396 HydrophobicContact CG2-CZ 3.76Å; F1388-F1396 HydrophobicContact CE1-CE2 4.42Å; Q1389-F1396 HydrophobicContact CG-CB 4.06Å; Q1389-F1396 VanDerWaalsContact CG-O 3.3Å; Q1389-F1396 WeakPolarHBondContact CG-O 3.43Å; Q1389-F1396 PolarHBondContact NE2-O 3.39Å; Q1389-F1396 VanDerWaalsContact NE2-O 3.13Å; Y1392-F1396 PolarHBondContact O-N 2.72Å; A1393-F1396 CarbonylContact O-C 3.51Å; A1393-F1396 PolarHBondContact O-N 3.36Å; F1396-S1398 PolarHBondContact O-N 3.32Å; F1396-L1402 HydrophobicContact CB-CB 4.11Å; F1396-L1402 HydrophobicContact CD1-CB 4Å; F1396-L1402 HydrophobicContact CD1-CD1 3.97Å; F1396-L1402 HydrophobicContact CD2-CD1 4.04Å; F1396-L1402 HydrophobicContact CE1-CD1 3.91Å; F1396-L1402 HydrophobicContact CE2-CD1 3.98Å; F1396-L1402 HydrophobicContact CG-CB 4.05Å; F1396-L1402 HydrophobicContact CG-CD1 4.03Å; F1396-L1402 HydrophobicContact CZ-CD1 3.92Å; F1396-K1405 HydrophobicContact CE1-CB 3.9Å; F1396-K1405 HydrophobicContact CE1-CG 3.92Å; F1396-K1405 HydrophobicContact CZ-CG 4.39Å
1397P93.8Very high95.1Very high67 Ų6762.9 Ų62.944%0.43532%0.321SS..SBendtrans-62.7-12.5-175.3-26.235.9000115.3A1393A1393-P1397 WeakPolarHBondContact O-CA 3.46Å
1398S94.8Very high95.1Very high51 Ų5160.3 Ų60.336%0.35731%0.31SS..SBendtrans-147.9152.4171.674.50000111.5F1396 Q1400 A1401 L1402F1396-S1398 PolarHBondContact O-N 3.32Å; S1398-Q1400 PolarHBondContact O-N 3.1Å; S1398-A1401 WeakPolarHBondContact O-CB 3.41Å; S1398-A1401 PolarHBondContact O-N 3.01Å; S1398-A1401 PolarHBondContact OG-N 2.94Å; S1398-L1402 PolarHBondContact O-N 3.05Å
1399R94.1Very high95Very high85 Ų8560.3 Ų60.332%0.32131%0.31SS..Hα-helixtrans-55.2-32.1172.1170.2164.3151.6-168-14112.4I1385 T1386 Q1389 L1402 Q1403I1385-R1399 HydrophobicContact CG2-CG 4.04Å; T1386-R1399 WeakPolarHBondContact OG1-CD 3.38Å; T1386-R1399 PolarHBondContact OG1-NH1 3.2Å; Q1389-R1399 HydrophobicContact CG-CB 4.49Å; R1399-L1402 PolarHBondContact O-N 3.49Å; R1399-Q1403 HydrophobicContact CG-CG 4.39Å; R1399-Q1403 WeakPolarHBondContact O-CB 3.39Å; R1399-Q1403 VanDerWaalsContact O-CG 3.29Å; R1399-Q1403 WeakPolarHBondContact O-CG 3.45Å; R1399-Q1403 PolarHBondContact O-N 2.98Å
1400Q94.8Very high94.9Very high145 Ų14561.8 Ų61.868%0.67831%0.314SS*.Hα-helixtrans-63.7-42.2173.1-63.7-173.94.200112S1398 L1402 Q1403 L1404S1398-Q1400 PolarHBondContact O-N 3.1Å; Q1400-L1402 PolarHBondContact O-N 3.49Å; Q1400-Q1403 PolarHBondContact O-N 3.4Å; Q1400-L1404 WeakPolarHBondContact O-CB 3.48Å; Q1400-L1404 VanDerWaalsContact O-CG 3.3Å; Q1400-L1404 WeakPolarHBondContact O-CG 3.4Å; Q1400-L1404 PolarHBondContact O-N 2.96Å
1401A94.9Very high94.7Very high29 Ų2964.3 Ų64.324%0.2432%0.318CS..Hα-helixtrans-63-40.6177.400000112.2S1398 K1405S1398-A1401 WeakPolarHBondContact O-CB 3.41Å; S1398-A1401 PolarHBondContact O-N 3.01Å; S1398-A1401 PolarHBondContact OG-N 2.94Å; A1401-K1405 PolarHBondContact O-N 3.24Å; A1401-K1405 VanDerWaalsContact O-N 3.09Å
1402L96.9Very high94.5Very high0 Ų066.2 Ų66.20%032%0.315CS..Hα-helixtrans-65.7-46.5173.5-179.558.6000111.8V1369 L1372 I1385 F1388 Q1389 F1396 S1398 R1399 Q1400 L1404 K1405 I1406V1369-L1402 HydrophobicContact CG2-CD1 3.68Å; L1372-L1402 HydrophobicContact CD2-CD1 4.38Å; I1385-L1402 HydrophobicContact CG2-CD2 3.97Å; I1385-L1402 HydrophobicContact CG2-CG 4.36Å; I1385-L1402 WeakPolarHBondContact O-CD2 3.31Å; F1388-L1402 HydrophobicContact CB-CD2 4.36Å; F1388-L1402 HydrophobicContact CD1-CD1 4.29Å; F1388-L1402 HydrophobicContact CD1-CD2 3.83Å; F1388-L1402 HydrophobicContact CE1-CD1 4.47Å; Q1389-L1402 HydrophobicContact CB-CD2 3.84Å; F1396-L1402 HydrophobicContact CB-CB 4.11Å; F1396-L1402 HydrophobicContact CD1-CB 4Å; F1396-L1402 HydrophobicContact CD1-CD1 3.97Å; F1396-L1402 HydrophobicContact CD2-CD1 4.04Å; F1396-L1402 HydrophobicContact CE1-CD1 3.91Å; F1396-L1402 HydrophobicContact CE2-CD1 3.98Å; F1396-L1402 HydrophobicContact CG-CB 4.05Å; F1396-L1402 HydrophobicContact CG-CD1 4.03Å; F1396-L1402 HydrophobicContact CZ-CD1 3.92Å; S1398-L1402 PolarHBondContact O-N 3.05Å; R1399-L1402 PolarHBondContact O-N 3.49Å; Q1400-L1402 PolarHBondContact O-N 3.49Å; L1402-L1404 VanDerWaalsContact C-N 3.33Å; L1402-L1404 PolarHBondContact O-N 2.89Å; L1402-K1405 WeakPolarHBondContact O-CA 3.33Å; L1402-K1405 WeakPolarHBondContact O-CB 3.42Å; L1402-K1405 PolarHBondContact O-N 3.4Å; L1402-I1406 HydrophobicContact CD1-CD1 4.29Å; L1402-I1406 HydrophobicContact CD1-CG1 4.4Å; L1402-I1406 HydrophobicContact CG-CD1 3.95Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.44Å; L1402-I1406 PolarHBondContact O-N 3.17Å
1403Q95.7Very high94.2Very high41 Ų4164.9 Ų64.919%0.19231%0.311CS..Hα-helixtrans-60.8-38.4177.1-74.9-177.7-5.900113I1385 R1399 Q1400 K1405 R1407I1385-Q1403 HydrophobicContact CD1-CG 4.46Å; I1385-Q1403 HydrophobicContact CG2-CG 3.93Å; R1399-Q1403 HydrophobicContact CG-CG 4.39Å; R1399-Q1403 WeakPolarHBondContact O-CB 3.39Å; R1399-Q1403 VanDerWaalsContact O-CG 3.29Å; R1399-Q1403 WeakPolarHBondContact O-CG 3.45Å; R1399-Q1403 PolarHBondContact O-N 2.98Å; Q1400-Q1403 PolarHBondContact O-N 3.4Å; Q1403-K1405 VanDerWaalsContact C-N 3.31Å; Q1403-R1407 WeakPolarHBondContact O-CB 3.35Å; Q1403-R1407 VanDerWaalsContact O-CG 3.26Å; Q1403-R1407 WeakPolarHBondContact O-CG 3.42Å; Q1403-R1407 PolarHBondContact O-N 2.9Å
1404L94.7Very high93.6Very high110 Ų11068.5 Ų68.558%0.57632%0.322SS*.Hα-helixtrans-65.5-35.2172.9-72.2169.9000111.7Q1400 L1402 R1407 E1408Q1400-L1404 WeakPolarHBondContact O-CB 3.48Å; Q1400-L1404 VanDerWaalsContact O-CG 3.3Å; Q1400-L1404 WeakPolarHBondContact O-CG 3.4Å; Q1400-L1404 PolarHBondContact O-N 2.96Å; L1402-L1404 VanDerWaalsContact C-N 3.33Å; L1402-L1404 PolarHBondContact O-N 2.89Å; L1404-R1407 PolarHBondContact O-N 3.26Å; L1404-E1408 PolarHBondContact O-N 2.94Å
1405K96.3Very high93.1Very high15 Ų1570 Ų707%0.06532%0.321CS..Hα-helixtrans-70.3-42.3176-160.574.4-172.6171.90112.9R1365 V1369 F1396 A1401 L1402 Q1403 R1407 E1408 I1409R1365-K1405 HydrophobicContact CB-CD 4.49Å; R1365-K1405 WeakPolarHBondContact O-CE 3.47Å; V1369-K1405 HydrophobicContact CG2-CB 4.17Å; V1369-K1405 HydrophobicContact CG2-CG 3.81Å; F1396-K1405 HydrophobicContact CE1-CB 3.9Å; F1396-K1405 HydrophobicContact CE1-CG 3.92Å; F1396-K1405 HydrophobicContact CZ-CG 4.39Å; A1401-K1405 PolarHBondContact O-N 3.24Å; A1401-K1405 VanDerWaalsContact O-N 3.09Å; L1402-K1405 WeakPolarHBondContact O-CA 3.33Å; L1402-K1405 WeakPolarHBondContact O-CB 3.42Å; L1402-K1405 PolarHBondContact O-N 3.4Å; Q1403-K1405 VanDerWaalsContact C-N 3.31Å; K1405-R1407 VanDerWaalsContact C-N 3.32Å; K1405-R1407 PolarHBondContact O-N 2.89Å; K1405-E1408 WeakPolarHBondContact CD-OE2 3.31Å; K1405-E1408 WeakPolarHBondContact CE-OE2 3.28Å; K1405-E1408 IonicContact NZ-OE1 3.61Å; K1405-E1408 IonicContact NZ-OE2 3.56Å; K1405-E1408 PolarHBondContact NZ-OE2 3.03Å; K1405-E1408 WeakPolarHBondContact O-CB 3.47Å; K1405-E1408 PolarHBondContact O-N 3.09Å; K1405-I1409 HydrophobicContact CD-CD1 4.49Å; K1405-I1409 HydrophobicContact CG-CD1 3.93Å; K1405-I1409 PolarHBondContact O-N 3.25Å
1406I96.4Very high92.3Very high17 Ų1770.4 Ų70.49%0.08733%0.33CS..Hα-helixtrans-53.9-50.3169.9-74.1165.2000109.7V1369 L1372 F1373 P1380 I1385 L1402 E1408 I1409 R1410V1369-I1406 HydrophobicContact CG1-CG1 3.93Å; L1372-I1406 HydrophobicContact CD2-CD1 3.71Å; L1372-I1406 HydrophobicContact CD2-CG1 4.04Å; F1373-I1406 HydrophobicContact CE1-CB 4.33Å; F1373-I1406 HydrophobicContact CE1-CG1 4.07Å; F1373-I1406 HydrophobicContact CE1-CG2 3.88Å; F1373-I1406 HydrophobicContact CZ-CB 4.26Å; F1373-I1406 HydrophobicContact CZ-CG1 4.37Å; F1373-I1406 HydrophobicContact CZ-CG2 3.91Å; P1380-I1406 HydrophobicContact CG-CD1 4.04Å; I1385-I1406 HydrophobicContact CD1-CD1 3.94Å; I1385-I1406 HydrophobicContact CG1-CD1 3.91Å; I1385-I1406 HydrophobicContact CG2-CD1 4.44Å; L1402-I1406 HydrophobicContact CD1-CD1 4.29Å; L1402-I1406 HydrophobicContact CD1-CG1 4.4Å; L1402-I1406 HydrophobicContact CG-CD1 3.95Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.44Å; L1402-I1406 PolarHBondContact O-N 3.17Å; I1406-E1408 PolarHBondContact O-N 2.8Å; I1406-I1409 PolarHBondContact O-N 3.45Å; I1406-R1410 VanDerWaalsContact O-CB 3.28Å; I1406-R1410 WeakPolarHBondContact O-CB 3.12Å; I1406-R1410 PolarHBondContact O-N 2.75Å
1407R95.8Very high90.1Very high152 Ų15277.4 Ų77.457%0.57437%0.368SS*.Hα-helixtrans-61.7-41.3175.7-70.2168.7-178.8135.1-2.9112.7Q1403 L1404 K1405 R1411Q1403-R1407 WeakPolarHBondContact O-CB 3.35Å; Q1403-R1407 VanDerWaalsContact O-CG 3.26Å; Q1403-R1407 WeakPolarHBondContact O-CG 3.42Å; Q1403-R1407 PolarHBondContact O-N 2.9Å; L1404-R1407 PolarHBondContact O-N 3.26Å; K1405-R1407 VanDerWaalsContact C-N 3.32Å; K1405-R1407 PolarHBondContact O-N 2.89Å; R1407-R1411 WeakPolarHBondContact O-CB 3.29Å; R1407-R1411 PolarHBondContact O-N 2.85Å; R1407-R1411 VanDerWaalsContact O-N 3.1Å
1408E95Very high87.7Confident59 Ų5979.1 Ų79.128%0.27638%0.381SS..Hα-helixtrans-59.4-50.8176.2-174.6-158.8153.400111.7R1366 L1404 K1405 I1406 R1412R1366-E1408 IonicContact NE-OE1 2.7Å; R1366-E1408 IonicContact NH2-OE1 3.1Å; L1404-E1408 PolarHBondContact O-N 2.94Å; K1405-E1408 WeakPolarHBondContact CD-OE2 3.31Å; K1405-E1408 WeakPolarHBondContact CE-OE2 3.28Å; K1405-E1408 IonicContact NZ-OE1 3.61Å; K1405-E1408 IonicContact NZ-OE2 3.56Å; K1405-E1408 PolarHBondContact NZ-OE2 3.03Å; K1405-E1408 WeakPolarHBondContact O-CB 3.47Å; K1405-E1408 PolarHBondContact O-N 3.09Å; I1406-E1408 PolarHBondContact O-N 2.8Å; E1408-R1412 WeakPolarHBondContact O-CG 3.48Å; E1408-R1412 PolarHBondContact O-N 2.95Å; E1408-R1412 IonicContact OE1-CZ 3.38Å; E1408-R1412 IonicContact OE1-NE 2.83Å; E1408-R1412 IonicContact OE1-NH1 3.19Å; E1408-R1412 IonicContact OE1-NH2 3.19Å; E1408-R1412 PolarHBondContact OE1-NH2 3.45Å
1409I94.7Very high85.2Confident10 Ų1082.6 Ų82.65%0.05139%0.392CS..Hα-helixtrans-76.8-44.6-170.5-67.1166000110.5R1366 V1369 L1370 F1373 K1405 I1406 R1411 R1412 I1413R1366-I1409 HydrophobicContact CB-CD1 4.21Å; R1366-I1409 HydrophobicContact CG-CD1 3.93Å; R1366-I1409 HydrophobicContact CG-CG1 4.38Å; V1369-I1409 HydrophobicContact CB-CD1 3.61Å; V1369-I1409 HydrophobicContact CG1-CB 4.37Å; V1369-I1409 HydrophobicContact CG1-CD1 3.67Å; V1369-I1409 HydrophobicContact CG2-CD1 4.35Å; L1370-I1409 HydrophobicContact CD2-CG2 3.91Å; L1370-I1409 HydrophobicContact CG-CG2 4.46Å; F1373-I1409 HydrophobicContact CD2-CG2 4.42Å; F1373-I1409 HydrophobicContact CE2-CB 4.27Å; F1373-I1409 HydrophobicContact CE2-CG2 3.91Å; K1405-I1409 HydrophobicContact CD-CD1 4.49Å; K1405-I1409 HydrophobicContact CG-CD1 3.93Å; K1405-I1409 PolarHBondContact O-N 3.25Å; I1406-I1409 PolarHBondContact O-N 3.45Å; I1409-R1411 VanDerWaalsContact C-N 3.3Å; I1409-R1411 PolarHBondContact O-N 3.39Å; I1409-R1412 WeakPolarHBondContact O-CA 3.42Å; I1409-R1412 WeakPolarHBondContact O-CB 3.41Å; I1409-R1412 PolarHBondContact O-N 2.96Å; I1409-I1413 HydrophobicContact CG2-CD1 4.01Å; I1409-I1413 WeakPolarHBondContact O-CG1 3.26Å; I1409-I1413 PolarHBondContact O-N 3.12Å
1410R93.5Very high82.9Confident63 Ų6381.1 Ų81.124%0.23839%0.393CS..Hα-helixtrans-60.8-37.8174.2175.5166.5154.7-170.2-8.4112.4F1373 L1378 F1379 I1406 R1412 I1413 M1414F1373-R1410 HydrophobicContact CE2-CB 4.07Å; F1373-R1410 HydrophobicContact CZ-CB 4.01Å; L1378-R1410 HydrophobicContact CD2-CB 4.41Å; L1378-R1410 HydrophobicContact CD2-CG 4.05Å; L1378-R1410 VanDerWaalsContact O-CD 3.28Å; L1378-R1410 WeakPolarHBondContact O-CD 3.32Å; L1378-R1410 PolarHBondContact O-NH1 3.32Å; F1379-R1410 VanDerWaalsContact CD2-NH1 3.27Å; F1379-R1410 VanDerWaalsContact CE2-NH1 3.34Å; F1379-R1410 VanDerWaalsContact CZ-CZ 3.42Å; F1379-R1410 VanDerWaalsContact CZ-NH1 3.34Å; I1406-R1410 VanDerWaalsContact O-CB 3.28Å; I1406-R1410 WeakPolarHBondContact O-CB 3.12Å; I1406-R1410 PolarHBondContact O-N 2.75Å; R1410-R1412 PolarHBondContact O-N 2.9Å; R1410-I1413 PolarHBondContact O-N 3.12Å; R1410-M1414 HydrophobicContact CG-CG 4.26Å; R1410-M1414 HydrophobicContact CG-SD 3.88Å; R1410-M1414 WeakPolarHBondContact O-CB 3.49Å; R1410-M1414 WeakPolarHBondContact O-CG 3.49Å; R1410-M1414 PolarHBondContact O-N 3.5Å
1411R91.4Very high80.4Confident180 Ų18077.8 Ų77.868%0.67938%0.377SS*.Hα-helixtrans-64.7-24.3174.4-166.7179.9-156.4-174.39.5113R1407 I1409 Q1415R1407-R1411 WeakPolarHBondContact O-CB 3.29Å; R1407-R1411 PolarHBondContact O-N 2.85Å; R1407-R1411 VanDerWaalsContact O-N 3.1Å; I1409-R1411 VanDerWaalsContact C-N 3.3Å; I1409-R1411 PolarHBondContact O-N 3.39Å; R1411-Q1415 WeakPolarHBondContact O-CB 3.46Å; R1411-Q1415 WeakPolarHBondContact O-CG 3.49Å; R1411-Q1415 PolarHBondContact O-N 3.31Å
1412R91.2Very high77.8Confident115 Ų11581.7 Ų81.743%0.43439%0.39SS..Hα-helixtrans-78.9-43.5172.5-68.6172.4-175.9-157.53.1111.9R1366 E1408 I1409 R1410 M1414 Q1415 T1416R1366-R1412 VanDerWaalsContact NH2-NH1 3.13Å; E1408-R1412 WeakPolarHBondContact O-CG 3.48Å; E1408-R1412 PolarHBondContact O-N 2.95Å; E1408-R1412 IonicContact OE1-CZ 3.38Å; E1408-R1412 IonicContact OE1-NE 2.83Å; E1408-R1412 IonicContact OE1-NH1 3.19Å; E1408-R1412 IonicContact OE1-NH2 3.19Å; E1408-R1412 PolarHBondContact OE1-NH2 3.45Å; I1409-R1412 WeakPolarHBondContact O-CA 3.42Å; I1409-R1412 WeakPolarHBondContact O-CB 3.41Å; I1409-R1412 PolarHBondContact O-N 2.96Å; R1410-R1412 PolarHBondContact O-N 2.9Å; R1412-M1414 VanDerWaalsContact C-N 3.29Å; R1412-M1414 PolarHBondContact O-N 3.24Å; R1412-Q1415 CarbonylContact O-C 3.49Å; R1412-Q1415 WeakPolarHBondContact O-CA 3.09Å; R1412-Q1415 WeakPolarHBondContact O-CB 2.98Å; R1412-Q1415 PolarHBondContact O-N 3.46Å; R1412-T1416 PolarHBondContact O-N 3.03Å; R1412-T1416 PolarHBondContact O-OG1 2.79Å
1413I87.8Confident75.1Confident28 Ų2888.9 Ų88.914%0.14442%0.421CS..Hα-helixtrans-57.7-44.9175-66.8166.9000109.9L1370 F1373 L1378 I1409 R1410 Q1415 T1416 P1420 F1421L1370-I1413 HydrophobicContact CD2-CD1 4.31Å; F1373-I1413 HydrophobicContact CD2-CD1 4.04Å; F1373-I1413 HydrophobicContact CE2-CD1 4.15Å; L1378-I1413 HydrophobicContact CD2-CD1 4.2Å; L1378-I1413 HydrophobicContact CD2-CG2 4.39Å; I1409-I1413 HydrophobicContact CG2-CD1 4.01Å; I1409-I1413 WeakPolarHBondContact O-CG1 3.26Å; I1409-I1413 PolarHBondContact O-N 3.12Å; R1410-I1413 PolarHBondContact O-N 3.12Å; I1413-Q1415 PolarHBondContact O-N 2.93Å; I1413-T1416 PolarHBondContact O-N 3.22Å; I1413-T1416 VanDerWaalsContact O-N 3.15Å; I1413-T1416 PolarHBondContact O-OG1 3.22Å; I1413-P1420 HydrophobicContact CG2-CG 3.96Å; I1413-F1421 HydrophobicContact CD1-CE2 4.14Å; I1413-F1421 HydrophobicContact CG2-CD2 4.48Å; I1413-F1421 HydrophobicContact CG2-CE2 4.21Å
1414M81Confident72.5Confident120 Ų12090 Ų9059%0.59143%0.431SS*.THydrogen-bonded Turntrans-77.613.1173.1-59.1179.873.400114.4R1410 R1412R1410-M1414 HydrophobicContact CG-CG 4.26Å; R1410-M1414 HydrophobicContact CG-SD 3.88Å; R1410-M1414 WeakPolarHBondContact O-CB 3.49Å; R1410-M1414 WeakPolarHBondContact O-CG 3.49Å; R1410-M1414 PolarHBondContact O-N 3.5Å; R1412-M1414 VanDerWaalsContact C-N 3.29Å; R1412-M1414 PolarHBondContact O-N 3.24Å
1415Q82.5Confident69.8Low116 Ų11689.7 Ų89.754%0.54243%0.429SS..THydrogen-bonded Turntrans-119.52.5167.5-791775.400111.7R1411 R1412 I1413R1411-Q1415 WeakPolarHBondContact O-CB 3.46Å; R1411-Q1415 WeakPolarHBondContact O-CG 3.49Å; R1411-Q1415 PolarHBondContact O-N 3.31Å; R1412-Q1415 CarbonylContact O-C 3.49Å; R1412-Q1415 WeakPolarHBondContact O-CA 3.09Å; R1412-Q1415 WeakPolarHBondContact O-CB 2.98Å; R1412-Q1415 PolarHBondContact O-N 3.46Å; I1413-Q1415 PolarHBondContact O-N 2.93Å
1416T77.5Confident66.9Low73 Ų7394.6 Ų94.645%0.44845%0.454SS..  trans-121.276.817651.50000107.9R1412 I1413 S1418R1412-T1416 PolarHBondContact O-N 3.03Å; R1412-T1416 PolarHBondContact O-OG1 2.79Å; I1413-T1416 PolarHBondContact O-N 3.22Å; I1413-T1416 VanDerWaalsContact O-N 3.15Å; I1413-T1416 PolarHBondContact O-OG1 3.22Å; T1416-S1418 PolarHBondContact O-N 2.93Å
1417D49.7Very low64.1Low150 Ų15098.7 Ų98.780%0.80247%0.472SS*.  trans-72.761.9178.9-63.1-46.5000111
1418S43.1Very low61.1Low102 Ų10297.5 Ų97.571%0.71348%0.477SS*.SBendtrans-168.4111.3171.9-8.30000109.4T1416 P1420T1416-S1418 PolarHBondContact O-N 2.93Å; S1418-P1420 WeakPolarHBondContact O-CD 3.41Å
1419H42.4Very low58.3Low124 Ų124100.5 Ų100.557%0.57449%0.494SS*.  trans388.2177-83.9-95.1000118.9Q1422 K1423H1419-Q1422 PolarHBondContact CE1-OE1 3.33Å; H1419-Q1422 PolarHBondContact ND1-OE1 3.15Å; H1419-K1423 WeakPolarHBondContact O-CB 3.07Å
1420P45.7Very low55.2Low55 Ų55108.8 Ų108.836%0.35753%0.527SS..SBendtrans-89.8-16.9162.333.3-31.2000113.6I1413 S1418I1413-P1420 HydrophobicContact CG2-CG 3.96Å; S1418-P1420 WeakPolarHBondContact O-CD 3.41Å
1421F42.2Very low52.3Low75 Ų75112.1 Ų112.133%0.32955%0.549SS..SBendtrans-95.1-30.3-172.1-99.1-81.7000116F1373 L1378 I1413 T1424 I1425F1373-F1421 HydrophobicContact CB-CZ 4.14Å; L1378-F1421 HydrophobicContact CD1-CE2 3.94Å; L1378-F1421 HydrophobicContact CD1-CZ 4.44Å; L1378-F1421 HydrophobicContact CD2-CE2 4.01Å; L1378-F1421 HydrophobicContact CD2-CZ 4.31Å; L1378-F1421 HydrophobicContact CG-CE2 4Å; L1378-F1421 HydrophobicContact CG-CZ 4.11Å; I1413-F1421 HydrophobicContact CD1-CE2 4.14Å; I1413-F1421 HydrophobicContact CG2-CD2 4.48Å; I1413-F1421 HydrophobicContact CG2-CE2 4.21Å; F1421-T1424 PolarHBondContact O-OG1 3.07Å; F1421-I1425 VanDerWaalsContact O-CD1 3.31Å; F1421-I1425 WeakPolarHBondContact O-CD1 3.37Å; F1421-I1425 WeakPolarHBondContact O-CG1 3.4Å
1422Q40.3Very low49.2Very low111 Ų111109.1 Ų109.152%0.51955%0.554SS.*Hα-helixtrans-84.7-25.3169.9-77.4178.3-28.400112.1H1419 T1424 I1425 I1426H1419-Q1422 PolarHBondContact CE1-OE1 3.33Å; H1419-Q1422 PolarHBondContact ND1-OE1 3.15Å; Q1422-T1424 VanDerWaalsContact C-N 3.28Å; Q1422-T1424 PolarHBondContact O-N 3.45Å; Q1422-I1425 PolarHBondContact O-N 3.15Å; Q1422-I1426 WeakPolarHBondContact O-CG1 3.4Å; Q1422-I1426 PolarHBondContact O-N 3.15Å
1423K40.3Very low46.5Very low150 Ų150110.6 Ų110.665%0.65257%0.57SS**Hα-helixtrans-77.2-10.3-175.7-163.1159.5-174.5167.10114H1419 K1427H1419-K1423 WeakPolarHBondContact O-CB 3.07Å; K1423-K1427 WeakPolarHBondContact O-CB 3.32Å
1424T40.7Very low43.8Very low65 Ų65115.7 Ų115.740%0.39960%0.597SS.*Hα-helixtrans-87.4-50.5163.344.50000110.9F1421 Q1422 I1426 K1427 D1428F1421-T1424 PolarHBondContact O-OG1 3.07Å; Q1422-T1424 VanDerWaalsContact C-N 3.28Å; Q1422-T1424 PolarHBondContact O-N 3.45Å; T1424-I1426 PolarHBondContact O-N 2.94Å; T1424-K1427 PolarHBondContact O-N 3.42Å; T1424-D1428 WeakPolarHBondContact CB-OD2 3.48Å; T1424-D1428 WeakPolarHBondContact O-CB 3.13Å; T1424-D1428 PolarHBondContact O-N 3.02Å
1425I37.7Very low41.6Very low104 Ų104116.9 Ų116.953%0.53361%0.606SS.*Hα-helixtrans-52.8-34.4-179.9-63172.8000112.7F1421 Q1422 N1429F1421-I1425 VanDerWaalsContact O-CD1 3.31Å; F1421-I1425 WeakPolarHBondContact O-CD1 3.37Å; F1421-I1425 WeakPolarHBondContact O-CG1 3.4Å; Q1422-I1425 PolarHBondContact O-N 3.15Å; I1425-N1429 PolarHBondContact O-ND2 3.29Å
1426I36.2Very low39.3Very low117 Ų117120.4 Ų120.460%0.662%0.62SS**THydrogen-bonded Turntrans-91.3-21.7178.7-61.8169.9000112.9Q1422 T1424Q1422-I1426 WeakPolarHBondContact O-CG1 3.4Å; Q1422-I1426 PolarHBondContact O-N 3.15Å; T1424-I1426 PolarHBondContact O-N 2.94Å
1427K37.7Very low37.4Very low104 Ų104125.5 Ų125.545%0.45264%0.636SS.*THydrogen-bonded Turntrans-111.8-6-172.4-159.8153.1-17562.70115.6K1423 T1424 D1431K1423-K1427 WeakPolarHBondContact O-CB 3.32Å; T1424-K1427 PolarHBondContact O-N 3.42Å; K1427-D1431 VanDerWaalsContact CE-OD2 3.25Å; K1427-D1431 WeakPolarHBondContact CE-OD2 3.46Å; K1427-D1431 IonicContact NZ-OD1 2.72Å; K1427-D1431 PolarHBondContact NZ-OD1 3.18Å; K1427-D1431 VanDerWaalsContact NZ-OD1 3.1Å; K1427-D1431 IonicContact NZ-OD2 3.69Å; K1427-D1431 PolarHBondContact NZ-OD2 3.28Å
1428D33.5Very low36.6Very low127 Ų127125.2 Ų125.268%0.67963%0.634SS**SBendtrans-88.89.3163.8-60.3-47.5000111.5T1424T1424-D1428 WeakPolarHBondContact CB-OD2 3.48Å; T1424-D1428 WeakPolarHBondContact O-CB 3.13Å; T1424-D1428 PolarHBondContact O-N 3.02Å
1429N35.4Very low36.1Very low121 Ų121124 Ų12465%0.64763%0.63SS**SBendtrans-124.7-7.3-179-78.1-57.8000115I1425I1425-N1429 PolarHBondContact O-ND2 3.29Å
1430Y30.1Very low35.8Very low185 Ų185122 Ų12273%0.72562%0.624SS**SBendtrans-146.5111.8175.3-72.4-88.7000109.1
1431D32.2Very low35.3Very low133 Ų133126.5 Ų126.571%0.71165%0.645SS**  trans160.262.7163.7-86.41000108.8K1427K1427-D1431 VanDerWaalsContact CE-OD2 3.25Å; K1427-D1431 WeakPolarHBondContact CE-OD2 3.46Å; K1427-D1431 IonicContact NZ-OD1 2.72Å; K1427-D1431 PolarHBondContact NZ-OD1 3.18Å; K1427-D1431 VanDerWaalsContact NZ-OD1 3.1Å; K1427-D1431 IonicContact NZ-OD2 3.69Å; K1427-D1431 PolarHBondContact NZ-OD2 3.28Å
1432C26.5Very low35Very low117 Ų117130.1 Ų130.179%0.79167%0.668SS**  trans-160.6135.3169.9-175.30000108
1433L33.3Very low34.8Very low146 Ų146133 Ų13376%0.76468%0.682SS**  trans68.3125.8-152.7-49.9-179.2000109.2
1434D32.3Very low34.7Very low134 Ų134132.4 Ų132.472%0.71769%0.685SS**  cis-138.3179.18.3-67.3-63.4000110.1
1435D34.4Very low34.4Very low145 Ų145136 Ų13678%0.77570%0.702SS**  cis-150.4177.74.7-147.6-31.9000111.6
1436K33.6Very low34.3Very low191 Ų191138.1 Ų138.183%0.8372%0.715SS**  trans-149.789.5173-174.4-154.7172.8-169.40112.7
1437K37.5Very low34.1Very low180 Ų180139.9 Ų139.978%0.78373%0.725SS**  trans-153.2134.8158.3-102.6158.4-176.7-177.40108.2
1438N33.1Very low34Very low143 Ų143142.7 Ų142.777%0.76575%0.745SS**  57.6110.593.5-57.927.7000110.6
1439A33Very low34Very low77 Ų77145.1 Ų145.164%0.63675%0.752SS**  cis83.7126.547.300000113.1
1440D37.1Very low34Very low83 Ų83146.5 Ų146.544%0.44476%0.758SS.*  trans73.9142.3167.7-47.7-35.8000117.9V607V607-D1440 PolarHBondContact N-OD2 2.7Å
1441N35.1Very low34.3Very low149 Ų149145.5 Ų145.580%0.79776%0.76SS**  trans68.4123-173.3-43.2-22.4000114.3
1442D34.2Very low34.3Very low150 Ų150143.5 Ų143.580%0.80275%0.749SS**  cis106.1155.233.2-74.1-42.3000111.9
1443E36.2Very low34.5Very low173 Ų173143.9 Ų143.981%0.80875%0.748SS**  trans74.1110.2176-61.8-179.4176.800119.3
1444D38.3Very low34.5Very low136 Ų136145.6 Ų145.673%0.72775%0.749SS**  72.4104.4124-60.810.9000123.1
1445D35.5Very low34.4Very low140 Ų140147.7 Ų147.775%0.74976%0.759SS**  58153.3114.9-73.9-1.3000124.4
1446N34.9Very low34.2Very low150 Ų150150.2 Ų150.280%0.80276%0.763SS**  trans92.9106.5165.9-53.5-79.5000117.4
1447D32.3Very low33.8Very low154 Ų154146.1 Ų146.182%0.82476%0.757SS**  trans-53.8156.9154-50.7-94.1000112.3
1448D36.3Very low33.4Very low163 Ų163143.1 Ų143.187%0.87276%0.759SS**  -160.4146.6123.6-119-26.7000111.8
1449E33.7Very low33.3Very low178 Ų178145.1 Ų145.183%0.83277%0.768SS**  trans-96.5-160.2179-152.7-179.7153.900110.7
1450I33.8Very low33Very low150 Ų150151.8 Ų151.877%0.76978%0.777SS**  trans78.5144.8168.5-52168.1000115.7
1451E37.3Very low32.6Very low163 Ų163154 Ų15476%0.76279%0.794SS**  cis-168.3-153.9-39.6-152.2-153.3151.500108.1
1452L31.8Very low32.5Very low91 Ų91154.7 Ų154.748%0.47680%0.795SS.*  trans70.592.4163.5-92.373.6000120.4
1453T31.1Very low32.4Very low126 Ų126151.6 Ų151.677%0.77379%0.786SS**  trans-30.4125.1140.752.90000116.7
1454K32.6Very low32.3Very low182 Ų182151.3 Ų151.379%0.79178%0.782SS**  trans-169.394.4145.2-104.1154.6-172.3169.40112.7
1455I30.7Very low32Very low178 Ų178152.3 Ų152.391%0.91378%0.782SS**  trans-172.4119.8135.4-96.7154000107.5
1456K30.4Very low32Very low198 Ų198150.8 Ų150.886%0.86178%0.782SS**  trans-141122.1-177.4-177.9-179.6-177.6178.90107.4
1457C25.7Very low31.8Very low105 Ų105150.3 Ų150.371%0.70978%0.778SS**  trans61.6118.7-174.6-61.10000115.5
1458S28.2Very low32.3Very low117 Ų117148.1 Ų148.182%0.81877%0.772SS**  -172.3101.3105.7-82.10000113.3
1459L30.9Very low32.1Very low184 Ų184147.5 Ų147.596%0.96377%0.767SS**  trans-150.278.8135.9-110.2174000108.2
1460R27.8Very low32.1Very low217 Ų217143.7 Ų143.782%0.81976%0.756SS**  trans-97.6172.5167-94-170.5174.2-164.6-0.1109.3
1461T28.2Very low31.9Very low130 Ų130147 Ų14780%0.79876%0.759SS**  trans65.879.1155.740.10000118.7
1462I33.4Very low31.6Very low163 Ų163143.8 Ų143.884%0.83675%0.754SS**  -124.4103.1128.3-62.5-176.1000104.2
1463S31.1Very low31.9Very low85 Ų85144.6 Ų144.659%0.59476%0.763SS**  64.3134.693.3-73.10000114.3
1464K33.7Very low31.9Very low168 Ų168146.3 Ų146.373%0.7377%0.768SS**  cis-164.4144.33.4-105.1160.3-171.9175.30112.3
1465H32.4Very low32.2Very low157 Ų157141.1 Ų141.173%0.72777%0.766SS**  trans58.7167.9147.9-60.7-55000124.5
1466S36.5Very low32.4Very low107 Ų107139.1 Ų139.175%0.74876%0.756SS**  trans73.4105.2168.5-54.10000117.9
1467I30.8Very low32.6Very low141 Ų141137.3 Ų137.372%0.72375%0.75SS**  cis77130.612-42.8162.8000114
1468P42.1Very low33Very low107 Ų107138 Ų13870%0.69574%0.743SS**  cis-139.7-118.5-39.741.1-18.4000112.2
1469I32.2Very low33.3Very low151 Ų151142.1 Ų142.177%0.77474%0.742SS**  trans84136.2163-73.2159.3000118.6
1470V32.9Very low33.5Very low97 Ų97137.4 Ų137.459%0.58872%0.721SS**  cis-167.6148.5-28.692.70000112.3
1471R30Very low33.9Very low220 Ų220132 Ų13283%0.8371%0.709SS**  trans60.2167.3163.1-71.3173.6-177.5104.6-1.8116.5
1472S31.7Very low34.2Very low95 Ų95135.9 Ų135.966%0.66471%0.709SS**  cis-166169.7-7.1-117.40000109.2
1473T37.5Very low34Very low109 Ų109133.5 Ų133.567%0.66971%0.705SS**  cis-169.3147-35.220.30000109.9
1474N31.4Very low34.1Very low162 Ų162135.2 Ų135.287%0.86672%0.715SS**  trans73.3156.3154.6-55.6-4.3000121.2
1475G38.9Very low33.9Very low73 Ų73133.4 Ų133.475%0.75371%0.714SS**  trans109.282.6177.300000113.9
1476L34.5Very low34.1Very low136 Ų136131.3 Ų131.371%0.71271%0.708SS**  cis83.785.730.5-144.5-171.7000114.9E1478L1476-E1478 HydrophobicContact CD2-CB 4.23Å
1477H35.6Very low33.9Very low160 Ų160132.3 Ų132.374%0.74171%0.705SS**  trans-172.3122.8136-132.9-82.9000107.2
1478E33.3Very low34Very low120 Ų120132 Ų13256%0.56171%0.705SS**  cis96.710522.3-160.7174.6-163.300114.5L1476 T1480L1476-E1478 HydrophobicContact CD2-CB 4.23Å; E1478-T1480 HydrophobicContact CG-CG2 3.34Å
1479Y35.4Very low33.7Very low203 Ų203134.6 Ų134.680%0.79671%0.707SS**  trans-178.193.9149.5-116.4-78.4000105.8
1480T34.4Very low33.8Very low84 Ų84133.2 Ų133.252%0.51570%0.701SS.*  cis80.314941.777.30000115.9E1478E1478-T1480 HydrophobicContact CG-CG2 3.34Å
1481N36.8Very low33.9Very low105 Ų105134.5 Ų134.556%0.56171%0.705SS**  trans78.2132.6-172.1-47.7-83.8000115.4
1482R33.5Very low34.1Very low211 Ų211130.7 Ų130.780%0.79670%0.701SS**  cis-155.9133-16.8-110.7161.4-150.5-125.10.7104.7
1483C30.1Very low34.3Very low112 Ų112133.2 Ų133.276%0.75771%0.707SS**  cis70.5144.842.3-58.80000114.6
1484C32.8Very low34.2Very low121 Ų121135.2 Ų135.282%0.81872%0.72SS**  trans82.3142.6170-58.20000117.4
1485N30.4Very low34.3Very low130 Ų130130.7 Ų130.770%0.69571%0.711SS**  cis-167.2-166.2-25.6-152.747.4000110.1
1486D34.7Very low34.2Very low113 Ų113133.5 Ų133.560%0.60471%0.714SS**  trans86.192.6145.5-60.5-38.6000121.9
1487N33.6Very low34.2Very low128 Ų128134 Ų13468%0.68472%0.717SS**  80.5150.4113.1-54.8-27.9000123.7
1488N33.4Very low34.2Very low135 Ų135132.1 Ų132.172%0.72272%0.722SS**  trans7899.3147.8-73.3-4.7000122
1489H34Very low34.4Very low161 Ų161130.9 Ų130.975%0.74573%0.727SS**  68.8135.9110.2-93.8-77.3000122.6
1490N35Very low34.4Very low122 Ų122128.6 Ų128.665%0.65273%0.727SS**  trans85.9112.6147.7-62.9-8.5000120.8
1491N34.7Very low34.5Very low125 Ų125129 Ų12967%0.66873%0.734SS**  69.5117.2127.3-59.6-2.5000121.7
1492N35.4Very low34.5Very low140 Ų140129.5 Ų129.575%0.74975%0.745SS**  trans70.9128.9133.7-56.6-7.5000120.6
1493N34.4Very low34.9Very low148 Ų148124.3 Ų124.379%0.79174%0.739SS**  trans38.4113.6149-58.7-4.7000117.8
1494T36.9Very low35Very low151 Ų151126.9 Ų126.993%0.92674%0.744SS**  -167173.784.6240000111.3
1495G33.3Very low35.2Very low66 Ų66125.3 Ų125.368%0.6874%0.74SS**  trans-100.8-167.7-169.400000117.2
1496T35.5Very low35.3Very low133 Ų133129.7 Ų129.782%0.81677%0.771SS**  trans7599.3170.763.30000120
1497N34.8Very low35.3Very low146 Ų146130.5 Ų130.578%0.78178%0.779SS**  61.5128.8125.3-64.1-11.7000123.5
1498S35.8Very low35.4Very low120 Ų120130.6 Ų130.684%0.83978%0.784SS**  trans75.5143.5150.887.70000116.1
1499S36.6Very low35.5Very low95 Ų95130.4 Ų130.466%0.66479%0.788SS**  cis-162.1176.914.458.10000112.6
1500L36.6Very low35.6Very low154 Ų154128.6 Ų128.681%0.80679%0.79SS**  trans75.1129.6151.3-77.1160.3000122.3
1501S35.7Very low35.7Very low94 Ų94129 Ų12966%0.65780%0.799SS**  trans9067.9136.7-61.80000123.3
1502S37.2Very low35.7Very low114 Ų114129.3 Ų129.380%0.79781%0.808SS**  77.6178.9119.1820000118.1
1503P42.9Very low35.7Very low103 Ų103128.5 Ų128.567%0.66981%0.812SS**  -134.9-176.3-101.737.4-15.7000116.5
1504L31.7Very low35.8Very low165 Ų165127 Ų12786%0.86481%0.813SS**  trans77.5145.1-177.8-71.677.1000115.4
1505A35.4Very low35.8Very low88 Ų88125 Ų12573%0.72780%0.804SS**  cis-168.1149.4-21.400000110.7
1506V33.6Very low36Very low222 Ų222130.4 Ų130.4100%1.34582%0.815SS**  trans-139.60155-176.80000108.3

Retrieved 1,506 of 1,506 residues in 858.6 ms (Link to these results)