A0A5K4F3Z8_SCHMA Loading...

Liprin-alpha-1

AlphaFold DB , UniProt , Accession A0A5K4F3Z8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,713 aa.

>A0A5K4F3Z8_SCHMA|A0A5K4F3Z8
MICDVMPTINEDIGSQGDRDSLVSADGTNVEDMLLSMLDERDRLMEGLRESQEQVNETRTRLSEVERERDKLHAQLSAKMPQDVVEMSKKLTEVEEQLIERCDEIDDLKAERNNMKILLEHLENLVARHEKSLRMTVVKRHTSTAMSNSTNSLIPGGTMADGETVCSEMDILNSSPNYSMNATTGSTSPSMAGLGSEVEVLKALKSLFEHHKVLDEKVHNRLRVSQNKVTDLENELFELKRSKINSSSTANICNDNNIHRTMISSETQVDKDFIKDVDTDIKNNPDQIQKLSLKETASLPKGSVEISKSSELLSSSPVLNASLSNLFYGSASAAALEAANRIKELQENLEQRASELLAARRQVIELTSRSRESSNSLSLAQSELNRANDQIERLTRELRESEQRRTDQESLATSLEQRYLVAQRELNTAQDMTDKLRAELAFKSTQLKQQEEKVRTLQIKLDTVEDDLLQSRSLSNHFLTKSLKTKYINDEVDIDDDEDEDEDDINAGTEYNEENACSDESNPELLNKQISEGELEQENDSITDLENKRIRKIKSIRSALKRNHYSRRIIQQEWNSYEDHVKELTDEIEEVRQELTRAKEREIINEEHITRLSGTVDKLLQESNERLQNHLQERMSALEQKQNLSNQVEQIKRALETAIREREANITESMLLRQKLSELAAAFRYSQAQLAIAHTSTSAAQATIMALAKASAEKVNMERLQQQHNTDISLQNSVCPSSVVEKYETEQSSPIDFISRLITNTWIHSQANNNSDQPIEMNLDGELNNIQSLPNTNNDNNNNNNMITLYQSNELQEMLTRQNLMNFNDPSLQLNHDTVNQLSLNDVFNFMKMKQLPNATSQHNIQESATDSTTDPQSLAYMLKNQLDAINNEIKLIQHEKATTEMLADELKGRFGTTDINVHNINNEFKTKNQYADSRPIGNDGNNNNQADRNGNHSSEPSALASLSNFNYRTTTATTQMNTDIYQNPSVSYTQKFPTTYTLTPHPSYLGYDTRLHASIMNPMAIRQTGQSKLYSQGVIIPNPRYTSDHNVIFSTGTTQLPTLSNFHGVDYSMRRAQNDPSKTTYDNAVTTRTISGTQDDLGNTECTDSSQRENERKRSIFGTLGRMFKRPNPVNVTNSQNQVESTLKSVASSNQQPPLRFHSNQLTHPSCQYQVYNIPQSTSVHRSDERNRLANVVYSSQDSGFSNITHFNRLVYPNNFSQYHVQEGTSRYSPRPPSHHSYFGKAKSGIYSADVSANQEQSAIQQSAVSHTMNAQAALGPKQTLEDRQKSQKLLLEDAIRSNLPFTSWSSPILVSWLKLWVGMPAWYVAACEANIKSGAMLASLSEQDIQRELGIRNPLHRLKLRLAVHEMLAFTASLTGTTPNSTKNGETSTSMKQLHLASPLIKGELNHEWIGNVWLPSLGLARYRSSFMECLVDARMLSHLTKRDLRIHLKMVDQFHRLSLYYGIMCLKRLDYDRSEIERRREACQNSLNDLLVWSNDRVIAWLKSIGLNEYAKNLIDSGVHGALMVLDPDFDANSFALILQIPNSDVQMRHKLECELNRLLHPYRSVNQNTSVRPNDSIMNYDTAASWIASVERPEPAYYENQFETGDALGSDSSYRPSTQQHQRHGISRNIVPISESSNGAPPIPIRAQRNTERRYPTSTSQLTVNSQNQPPLNANLSRNLQYRNAGMCDDNYSFLHNEPSQLERRLKKN
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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
1M32.6Very low34.5Very low247 Ų247157.7 Ų157.7100%1.21785%0.854SS**  079.30-82.6-176.7-99.300108.7
2I34.2Very low34.2Very low172 Ų172158.3 Ų158.388%0.88286%0.857SS**  trans-129.471.5177-139.1163.3000106.8
3C34Very low34.2Very low119 Ų119158.5 Ų158.580%0.80485%0.854SS**  trans-131.625.5-174.9-63.70000113.3
4D33.3Very low34.1Very low161 Ų161152.1 Ų152.186%0.86184%0.844SS**  trans-119.551.5177.7-75.6-21.6000112.3
5V41.6Very low34.2Very low133 Ų133149 Ų14981%0.80684%0.837SS**  trans-153.487.8158.9-166.20000111
6M31.2Very low34Very low180 Ų180150.8 Ų150.889%0.88784%0.836SS**  trans-140.1106.9150.8-86-159.174.300109T8M6-T8 PolarHBondContact O-N 3.06Å
7P39.8Very low33.9Very low108 Ų108146.4 Ų146.470%0.70183%0.833SS**PPolyproline II helixtrans-78.5116.3176.529.2-27.8000109.7I9P7-I9 PolarHBondContact O-N 3.42Å
8T35.6Very low33.6Very low133 Ų133146.8 Ų146.882%0.81683%0.833SS**PPolyproline II helixtrans-57.2119.5169.824.80000110.6M6M6-T8 PolarHBondContact O-N 3.06Å
9I31.8Very low33.3Very low158 Ų158150.5 Ų150.581%0.8183%0.832SS**PPolyproline II helixtrans-84.8120172.6-59.3171.9000107P7 E11P7-I9 PolarHBondContact O-N 3.42Å; I9-E11 PolarHBondContact O-N 3.15Å
10N31.8Very low33.1Very low149 Ų149151.5 Ų151.580%0.79784%0.836SS**PPolyproline II helixtrans-72.9121.3175.9-78.54.3000110.1D12N10-D12 PolarHBondContact O-N 3.27Å
11E33.2Very low33Very low175 Ų175149.4 Ų149.482%0.81883%0.832SS**  trans-78.7106.3170-63.4178.8170.900109.3I9I9-E11 PolarHBondContact O-N 3.15Å
12D31.7Very low32.8Very low165 Ų165145.6 Ų145.688%0.88282%0.816SS**  trans-124.888.7163.6-116.3-17.2000107.3N10N10-D12 PolarHBondContact O-N 3.27Å
13I34.2Very low32.6Very low161 Ų161144 Ų14483%0.82681%0.813SS**  trans-91.699.6178.7-66.4168.1000107.9
14G32.8Very low32.5Very low69 Ų69143.5 Ų143.571%0.71181%0.811SS**  trans-106.999.4170.400000111.9
15S35Very low32.4Very low105 Ų105140.3 Ų140.373%0.73481%0.808SS**  trans33.4105.8147.4600000120.9
16Q30.6Very low32.2Very low177 Ų177141.9 Ų141.983%0.82781%0.812SS**  34.1124.2124.6-134.488.6-300120.6
17G32.5Very low32.6Very low76 Ų76136 Ų13678%0.78480%0.796SS**  trans-174.364.3169.100000114.8
18D29.1Very low32.9Very low154 Ų154137.2 Ų137.282%0.82480%0.802SS**  trans67.5133.3141.8-113.1-1.5000125
19R27.9Very low33.7Very low217 Ų217135.9 Ų135.982%0.81979%0.79SS**  trans88.288.4154.8-68.7-169.4166.5-172.5-4.3121S21R19-S21 PolarHBondContact O-N 2.94Å; R19-S21 VanDerWaalsContact O-N 3.15Å
20D29.2Very low35.3Very low171 Ų171133.2 Ų133.291%0.91478%0.781SS**  -10.998.5125.5-67.1-37.5000115.5
21S30.8Very low37.4Very low107 Ų107132.7 Ų132.775%0.74877%0.774SS**  trans-174.471.7151.2163.60000108.7R19R19-S21 PolarHBondContact O-N 2.94Å; R19-S21 VanDerWaalsContact O-N 3.15Å
22L27.8Very low39.6Very low167 Ų167129.6 Ų129.687%0.87476%0.763SS**  trans-16678.7153.3-100.8147.8000107.7
23V30.6Very low41.7Very low138 Ų138127.8 Ų127.884%0.83675%0.75SS**  trans-58.6134.8156.7170.50000107.5
24S32.4Very low43.6Very low109 Ų109124.8 Ų124.876%0.76274%0.736SS**  trans8876.8172.7-52.10000117.3
25A31.8Very low46Very low95 Ų95126.1 Ų126.179%0.78573%0.726SS**  trans-149.7111137.900000108.3G27A25-G27 PolarHBondContact O-N 3.13Å; A25-G27 VanDerWaalsContact O-N 3.15Å
26D36.2Very low48.2Very low166 Ų166124.7 Ų124.789%0.88872%0.716SS**  trans-48.6110.5-174.1-61.1-53.8000112.9T28D26-T28 PolarHBondContact O-N 3.39Å
27G39.7Very low50.2Low55 Ų55122.2 Ų122.257%0.56771%0.706SS**  trans-75.8109.8167.400000108.9A25 N29A25-G27 PolarHBondContact O-N 3.13Å; A25-G27 VanDerWaalsContact O-N 3.15Å; G27-N29 PolarHBondContact O-N 2.88Å; G27-N29 PolarHBondContact O-OD1 3.4Å
28T46.2Very low52.5Low134 Ų134122.8 Ų122.882%0.82269%0.69SS**  trans-6098167.233.80000108.2D26D26-T28 PolarHBondContact O-N 3.39Å
29N52.6Low55.3Low105 Ų105120.7 Ų120.756%0.56168%0.679SS**  trans-66.6134.9-173.6-71.2-31.2000109.6G27 E31 D32G27-N29 PolarHBondContact O-N 2.88Å; G27-N29 PolarHBondContact O-OD1 3.4Å; N29-E31 PolarHBondContact O-N 3.01Å; N29-D32 PolarHBondContact O-N 3.49Å
30V64.7Low58Low102 Ų102114.6 Ų114.662%0.61866%0.66SS**Hα-helixtrans-50.3-26.5179.1175.90000112.5D32 M33 L34V30-D32 PolarHBondContact O-N 3.39Å; V30-M33 WeakPolarHBondContact O-CB 3.39Å; V30-M33 PolarHBondContact O-N 2.87Å; V30-L34 HydrophobicContact CG1-CD1 4.06Å; V30-L34 HydrophobicContact CG1-CG 4.24Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3Å
31E77.4Confident60.8Low139 Ų139113.3 Ų113.365%0.6564%0.643SS**Hα-helixtrans-57.1-44.2174.6-63.6178.9173.500112.8N29 M33 L34 L35N29-E31 PolarHBondContact O-N 3.01Å; E31-M33 VanDerWaalsContact C-N 3.29Å; E31-M33 PolarHBondContact O-N 3.2Å; E31-L34 PolarHBondContact O-N 3.07Å; E31-L35 WeakPolarHBondContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CG 3.3Å; E31-L35 PolarHBondContact O-N 2.95Å
32D78.5Confident63.7Low110 Ų110112.1 Ų112.159%0.58863%0.628SS**Hα-helixtrans-66.9-33.8178.1-73.7-22.6000111.4N29 V30 S36N29-D32 PolarHBondContact O-N 3.49Å; V30-D32 PolarHBondContact O-N 3.39Å; D32-S36 WeakPolarHBondContact O-CB 3.3Å; D32-S36 PolarHBondContact O-N 2.87Å
33M75.7Confident66.6Low126 Ų126112.7 Ų112.762%0.62162%0.618SS**Hα-helixtrans-69.1-42.5175.3-171.4-179.3-5900111.3V30 E31 S36 M37V30-M33 WeakPolarHBondContact O-CB 3.39Å; V30-M33 PolarHBondContact O-N 2.87Å; E31-M33 VanDerWaalsContact C-N 3.29Å; E31-M33 PolarHBondContact O-N 3.2Å; M33-S36 PolarHBondContact O-N 3.49Å; M33-M37 WeakPolarHBondContact O-CG 3.42Å; M33-M37 PolarHBondContact O-N 3.45Å
34L74.5Confident69.1Low98 Ų98111.5 Ų111.551%0.51361%0.607SS.*Hα-helixtrans-65.6-41.4176.8-72171.8000111.5V30 E31 M37 L38V30-L34 HydrophobicContact CG1-CD1 4.06Å; V30-L34 HydrophobicContact CG1-CG 4.24Å; V30-L34 WeakPolarHBondContact O-CG 3.46Å; V30-L34 PolarHBondContact O-N 3Å; E31-L34 PolarHBondContact O-N 3.07Å; L34-M37 PolarHBondContact O-N 3.42Å; L34-L38 WeakPolarHBondContact O-CG 3.17Å; L34-L38 PolarHBondContact O-N 3.41Å
35L82.2Confident71.5Confident98 Ų98111.9 Ų111.951%0.51360%0.598SS.*Hα-helixtrans-60.4-47.5172.8-78.2161.2000111.2E31 M37 L38 D39E31-L35 WeakPolarHBondContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CG 3.3Å; E31-L35 PolarHBondContact O-N 2.95Å; L35-M37 VanDerWaalsContact C-N 3.27Å; L35-M37 PolarHBondContact O-N 3.24Å; L35-L38 PolarHBondContact O-N 2.88Å; L35-L38 VanDerWaalsContact O-N 3.13Å; L35-D39 PolarHBondContact O-N 3.49Å
36S81Confident74.1Confident74 Ų74111.3 Ų111.352%0.51758%0.579SS.*Hα-helixtrans-61-34.1176178.60000113D32 M33 E40D32-S36 WeakPolarHBondContact O-CB 3.3Å; D32-S36 PolarHBondContact O-N 2.87Å; M33-S36 PolarHBondContact O-N 3.49Å; S36-E40 WeakPolarHBondContact O-CB 3.42Å; S36-E40 PolarHBondContact O-N 3.32Å
37M72.7Confident76.3Confident125 Ų125105.1 Ų105.162%0.61655%0.554SS**Hα-helixtrans-71.8-35.8175.6-75.2-175.967.500112.5M33 L34 L35 R41M33-M37 WeakPolarHBondContact O-CG 3.42Å; M33-M37 PolarHBondContact O-N 3.45Å; L34-M37 PolarHBondContact O-N 3.42Å; L35-M37 VanDerWaalsContact C-N 3.27Å; L35-M37 PolarHBondContact O-N 3.24Å; M37-R41 WeakPolarHBondContact O-CB 3.34Å; M37-R41 PolarHBondContact O-N 2.98Å
38L80.9Confident78Confident88 Ų88107.7 Ų107.746%0.46155%0.554SS.*Hα-helixtrans-68.2-43.2174.7-70.5172.2000111.1L34 L35 E40 R41 D42L34-L38 WeakPolarHBondContact O-CG 3.17Å; L34-L38 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 2.88Å; L35-L38 VanDerWaalsContact O-N 3.13Å; L38-E40 VanDerWaalsContact C-N 3.34Å; L38-E40 PolarHBondContact O-N 3.46Å; L38-R41 WeakPolarHBondContact O-CB 3.27Å; L38-R41 PolarHBondContact O-N 3.36Å; L38-D42 PolarHBondContact O-N 3.38Å
39D88.8Confident79.9Confident110 Ų110108.9 Ų108.959%0.58854%0.544SS*.Hα-helixtrans-61.3-42.5175.3-71.3-19000111.6L35 D42 R43L35-D39 PolarHBondContact O-N 3.49Å; D39-D42 PolarHBondContact O-N 3.39Å; D39-R43 WeakPolarHBondContact O-CB 3.28Å; D39-R43 PolarHBondContact O-N 3.06Å
40E85.4Confident81.5Confident90 Ų90109 Ų10942%0.42154%0.541SS..Hα-helixtrans-68.2-36.8177.4-169.562.7-158.400111.8S36 L38 R43 L44S36-E40 WeakPolarHBondContact O-CB 3.42Å; S36-E40 PolarHBondContact O-N 3.32Å; L38-E40 VanDerWaalsContact C-N 3.34Å; L38-E40 PolarHBondContact O-N 3.46Å; E40-R43 PolarHBondContact O-N 3.44Å; E40-L44 HydrophobicContact CG-CD1 4.47Å; E40-L44 WeakPolarHBondContact O-CB 3.42Å; E40-L44 VanDerWaalsContact O-CG 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.42Å; E40-L44 PolarHBondContact O-N 3.44Å
41R87.8Confident82.2Confident144 Ų144107.2 Ų107.254%0.54353%0.532SS..Hα-helixtrans-60-47.2173-174.9-159.873.7166.31.2110.8M37 L38 R43 L44 M45M37-R41 WeakPolarHBondContact O-CB 3.34Å; M37-R41 PolarHBondContact O-N 2.98Å; L38-R41 WeakPolarHBondContact O-CB 3.27Å; L38-R41 PolarHBondContact O-N 3.36Å; R41-R43 VanDerWaalsContact C-N 3.32Å; R41-R43 PolarHBondContact O-N 3Å; R41-L44 PolarHBondContact O-N 3.44Å; R41-M45 WeakPolarHBondContact O-CG 3.25Å; R41-M45 PolarHBondContact O-N 2.81Å
42D90.1Very high82.2Confident81 Ų81105.3 Ų105.343%0.43352%0.524SS..Hα-helixtrans-67.3-37-177.9-69.5-5.9000111.1L38 D39 M45 E46L38-D42 PolarHBondContact O-N 3.38Å; D39-D42 PolarHBondContact O-N 3.39Å; D42-M45 PolarHBondContact O-N 2.92Å; D42-E46 PolarHBondContact O-N 2.97Å
43R88.9Confident82.8Confident180 Ų180106.1 Ų106.168%0.67952%0.524SS*.Hα-helixtrans-62-41.6171.8-167.5-179.6-173.2-176.32.9112.9D39 E40 R41 E46 G47D39-R43 WeakPolarHBondContact O-CB 3.28Å; D39-R43 PolarHBondContact O-N 3.06Å; E40-R43 PolarHBondContact O-N 3.44Å; R41-R43 VanDerWaalsContact C-N 3.32Å; R41-R43 PolarHBondContact O-N 3Å; R43-E46 PolarHBondContact O-N 3.48Å; R43-G47 PolarHBondContact O-N 2.89Å
44L83.5Confident83.1Confident113 Ų113106 Ų10659%0.59252%0.522SS*.Hα-helixtrans-68.1-35.7175.9-72.3172.2000112.2E40 R41 G47 L48E40-L44 HydrophobicContact CG-CD1 4.47Å; E40-L44 WeakPolarHBondContact O-CB 3.42Å; E40-L44 VanDerWaalsContact O-CG 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.42Å; E40-L44 PolarHBondContact O-N 3.44Å; R41-L44 PolarHBondContact O-N 3.44Å; L44-G47 PolarHBondContact O-N 3.01Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 PolarHBondContact O-N 3.42Å
45M82.4Confident83.4Confident117 Ų117103.8 Ų103.858%0.57651%0.512SS*.Hα-helixtrans-66.3-40.7175.5-72.8-61.8-62.800112R41 D42 L48 R49R41-M45 WeakPolarHBondContact O-CG 3.25Å; R41-M45 PolarHBondContact O-N 2.81Å; D42-M45 PolarHBondContact O-N 2.92Å; M45-L48 PolarHBondContact O-N 2.87Å; M45-R49 PolarHBondContact O-N 3.25Å; M45-R49 VanDerWaalsContact O-N 3.07Å
46E86.8Confident83.5Confident83 Ų83102.8 Ų102.839%0.38851%0.507SS..Hα-helixtrans-66.4-43.1174.2-166.660.7-147.900111.2D42 R43 L48 R49 E50D42-E46 PolarHBondContact O-N 2.97Å; R43-E46 PolarHBondContact O-N 3.48Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 3.48Å; E46-R49 WeakPolarHBondContact O-CA 3.42Å; E46-R49 WeakPolarHBondContact O-CB 3.3Å; E46-R49 PolarHBondContact O-N 2.99Å; E46-R49 IonicContact OE1-CZ 3.99Å; E46-R49 IonicContact OE1-NE 2.97Å; E46-R49 PolarHBondContact OE1-NE 3.06Å; E46-R49 IonicContact OE1-NH2 2.93Å; E46-R49 IonicContact OE2-NE 3.42Å; E46-E50 PolarHBondContact O-N 3.47Å
47G82.6Confident83.9Confident35 Ų35103.7 Ų103.736%0.36150%0.504SS..Hα-helixtrans-61.1-35.8175.600000113.5R43 L44 S51R43-G47 PolarHBondContact O-N 2.89Å; L44-G47 PolarHBondContact O-N 3.01Å; G47-S51 WeakPolarHBondContact O-CB 3.29Å; G47-S51 PolarHBondContact O-N 3.24Å
48L76.3Confident84.3Confident109 Ų109101.6 Ų101.657%0.57150%0.498SS*.Hα-helixtrans-67.2-37.9173-174.166.8000111.5L44 M45 E46 S51 Q52L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 PolarHBondContact O-N 3.42Å; M45-L48 PolarHBondContact O-N 2.87Å; E46-L48 VanDerWaalsContact C-N 3.3Å; E46-L48 PolarHBondContact O-N 3.48Å; L48-S51 PolarHBondContact O-N 3.36Å; L48-Q52 WeakPolarHBondContact O-CB 3.44Å; L48-Q52 PolarHBondContact O-N 3.42Å
49R85.3Confident84.5Confident160 Ų160104.7 Ų104.760%0.60450%0.503SS*.Hα-helixtrans-65.8-46.7177.3-159-179.890.5162.97.1111.7M45 E46 S51 Q52 E53M45-R49 PolarHBondContact O-N 3.25Å; M45-R49 VanDerWaalsContact O-N 3.07Å; E46-R49 WeakPolarHBondContact O-CA 3.42Å; E46-R49 WeakPolarHBondContact O-CB 3.3Å; E46-R49 PolarHBondContact O-N 2.99Å; E46-R49 IonicContact OE1-CZ 3.99Å; E46-R49 IonicContact OE1-NE 2.97Å; E46-R49 PolarHBondContact OE1-NE 3.06Å; E46-R49 IonicContact OE1-NH2 2.93Å; E46-R49 IonicContact OE2-NE 3.42Å; R49-S51 VanDerWaalsContact C-N 3.34Å; R49-S51 PolarHBondContact O-N 2.88Å; R49-Q52 PolarHBondContact O-N 3.17Å; R49-E53 PolarHBondContact O-N 2.94Å
50E86Confident84.4Confident108 Ų108103.8 Ų103.851%0.50550%0.502SS..Hα-helixtrans-60.7-42.2175.1-71.5-178.2173.800111.8E46 E53 Q54E46-E50 PolarHBondContact O-N 3.47Å; E50-E53 PolarHBondContact O-N 3.01Å; E50-Q54 WeakPolarHBondContact O-CG 3.43Å; E50-Q54 PolarHBondContact O-N 3.44Å
51S79.3Confident84.3Confident63 Ų63106 Ų10644%0.44151%0.506SS..Hα-helixtrans-63.7-42.1176.6-173.10000111.9G47 L48 R49 E53 Q54 V55G47-S51 WeakPolarHBondContact O-CB 3.29Å; G47-S51 PolarHBondContact O-N 3.24Å; L48-S51 PolarHBondContact O-N 3.36Å; R49-S51 VanDerWaalsContact C-N 3.34Å; R49-S51 PolarHBondContact O-N 2.88Å; S51-E53 VanDerWaalsContact C-N 3.32Å; S51-E53 PolarHBondContact O-N 3.27Å; S51-Q54 PolarHBondContact O-N 3.15Å; S51-V55 WeakPolarHBondContact O-CG2 3.42Å; S51-V55 PolarHBondContact O-N 3.41Å
52Q78.2Confident84Confident100 Ų100104 Ų10447%0.46751%0.506SS..Hα-helixtrans-64.5-37.1176.4-170.763.735.400111.8L48 R49 V55 N56L48-Q52 WeakPolarHBondContact O-CB 3.44Å; L48-Q52 PolarHBondContact O-N 3.42Å; R49-Q52 PolarHBondContact O-N 3.17Å; Q52-V55 PolarHBondContact O-N 2.89Å; Q52-N56 VanDerWaalsContact O-CG 3.26Å; Q52-N56 PolarHBondContact O-N 3.38Å; Q52-N56 PolarHBondContact O-ND2 3.47Å
53E90.1Very high83.8Confident126 Ų126103.8 Ų103.859%0.58951%0.51SS*.Hα-helixtrans-66-44.2175.2-169.4165.6-16400111.9R49 E50 S51 V55 N56 E57R49-E53 PolarHBondContact O-N 2.94Å; E50-E53 PolarHBondContact O-N 3.01Å; S51-E53 VanDerWaalsContact C-N 3.32Å; S51-E53 PolarHBondContact O-N 3.27Å; E53-V55 VanDerWaalsContact C-N 3.35Å; E53-V55 PolarHBondContact O-N 3.38Å; E53-N56 PolarHBondContact O-N 3.08Å; E53-N56 VanDerWaalsContact O-N 3.16Å; E53-E57 PolarHBondContact O-N 3.06Å
54Q82.3Confident83.6Confident124 Ų12499.9 Ų99.958%0.57950%0.5SS*.Hα-helixtrans-61.7-39.3173.9-73.3-177.912.200112.8E50 S51 N56 E57 T58E50-Q54 WeakPolarHBondContact O-CG 3.43Å; E50-Q54 PolarHBondContact O-N 3.44Å; S51-Q54 PolarHBondContact O-N 3.15Å; Q54-N56 VanDerWaalsContact C-N 3.32Å; Q54-N56 PolarHBondContact O-N 2.95Å; Q54-E57 PolarHBondContact O-N 3.47Å; Q54-T58 WeakPolarHBondContact O-CB 3.45Å; Q54-T58 VanDerWaalsContact O-CG2 3.31Å; Q54-T58 WeakPolarHBondContact O-CG2 3.24Å; Q54-T58 PolarHBondContact O-N 3.31Å; Q54-T58 PolarHBondContact O-OG1 2.89Å
55V80.7Confident83.4Confident52 Ų5298.7 Ų98.732%0.31550%0.497SS..Hα-helixtrans-65.2-37.6175.6170.90000111.2S51 Q52 E53 T58 R59S51-V55 WeakPolarHBondContact O-CG2 3.42Å; S51-V55 PolarHBondContact O-N 3.41Å; Q52-V55 PolarHBondContact O-N 2.89Å; E53-V55 VanDerWaalsContact C-N 3.35Å; E53-V55 PolarHBondContact O-N 3.38Å; V55-T58 WeakPolarHBondContact CA-OG1 3.47Å; V55-T58 PolarHBondContact O-OG1 3.12Å; V55-R59 WeakPolarHBondContact O-CG 2.99Å; V55-R59 PolarHBondContact O-N 3.45Å; V55-R59 VanDerWaalsContact O-N 3.09Å
56N85.3Confident83.4Confident77 Ų7797.2 Ų97.241%0.41249%0.489SS..Hα-helixtrans-69.4-41.8176.1-70.8-20.4000111.6Q52 E53 Q54 R59 T60Q52-N56 VanDerWaalsContact O-CG 3.26Å; Q52-N56 PolarHBondContact O-N 3.38Å; Q52-N56 PolarHBondContact O-ND2 3.47Å; E53-N56 PolarHBondContact O-N 3.08Å; E53-N56 VanDerWaalsContact O-N 3.16Å; Q54-N56 VanDerWaalsContact C-N 3.32Å; Q54-N56 PolarHBondContact O-N 2.95Å; N56-R59 PolarHBondContact O-N 2.85Å; N56-T60 PolarHBondContact O-N 3.46Å; N56-T60 PolarHBondContact O-OG1 3.24Å
57E87.9Confident83.4Confident93 Ų9399.3 Ų99.344%0.43549%0.493SS..Hα-helixtrans-62.8-43.4176.9-164.8-177.2-171.200111.7E53 Q54 R59 T60 R61E53-E57 PolarHBondContact O-N 3.06Å; Q54-E57 PolarHBondContact O-N 3.47Å; E57-R59 PolarHBondContact O-N 3.16Å; E57-T60 WeakPolarHBondContact CA-OG1 3.4Å; E57-T60 PolarHBondContact O-N 2.97Å; E57-T60 PolarHBondContact O-OG1 2.9Å; E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.43Å; E57-R61 IonicContact OE1-CZ 3.98Å; E57-R61 IonicContact OE1-NE 3.95Å; E57-R61 IonicContact OE1-NH2 3.93Å; E57-R61 PolarHBondContact OE1-NH2 3.47Å; E57-R61 IonicContact OE2-NH2 2.9Å
58T81.2Confident83.4Confident80 Ų80102.5 Ų102.549%0.49150%0.499SS..Hα-helixtrans-64.5-39.1176.350.80000112.8Q54 V55 T60 R61 L62Q54-T58 WeakPolarHBondContact O-CB 3.45Å; Q54-T58 VanDerWaalsContact O-CG2 3.31Å; Q54-T58 WeakPolarHBondContact O-CG2 3.24Å; Q54-T58 PolarHBondContact O-N 3.31Å; Q54-T58 PolarHBondContact O-OG1 2.89Å; V55-T58 WeakPolarHBondContact CA-OG1 3.47Å; V55-T58 PolarHBondContact O-OG1 3.12Å; T58-T60 VanDerWaalsContact C-N 3.35Å; T58-T60 PolarHBondContact O-N 3.07Å; T58-R61 PolarHBondContact O-N 2.88Å; T58-L62 PolarHBondContact O-N 3.16Å
59R85Confident83.8Confident154 Ų154104 Ų10458%0.58150%0.497SS*.Hα-helixtrans-62.1-40.4172.9-78.5177.8178.6142.1-0.2112.3V55 N56 E57 L62 S63V55-R59 WeakPolarHBondContact O-CG 2.99Å; V55-R59 PolarHBondContact O-N 3.45Å; V55-R59 VanDerWaalsContact O-N 3.09Å; N56-R59 PolarHBondContact O-N 2.85Å; E57-R59 PolarHBondContact O-N 3.16Å; R59-L62 PolarHBondContact O-N 3.46Å; R59-S63 PolarHBondContact O-N 3.21Å; R59-S63 VanDerWaalsContact O-N 3.15Å
60T87.8Confident83.8Confident91 Ų91100.3 Ų100.356%0.55849%0.489SS*.Hα-helixtrans-66.5-41.4176.349.60000112.5N56 E57 T58 L62 S63 E64N56-T60 PolarHBondContact O-N 3.46Å; N56-T60 PolarHBondContact O-OG1 3.24Å; E57-T60 WeakPolarHBondContact CA-OG1 3.4Å; E57-T60 PolarHBondContact O-N 2.97Å; E57-T60 PolarHBondContact O-OG1 2.9Å; T58-T60 VanDerWaalsContact C-N 3.35Å; T58-T60 PolarHBondContact O-N 3.07Å; T60-L62 PolarHBondContact O-N 2.94Å; T60-S63 PolarHBondContact O-N 2.87Å; T60-E64 PolarHBondContact O-N 2.98Å; T60-E64 VanDerWaalsContact O-N 3.09Å
61R82.6Confident83.7Confident137 Ų137100.5 Ų100.552%0.51749%0.488SS..Hα-helixtrans-63.2-39.9175-71.4-179.9-172.3160.83112.1E57 T58 E64 V65E57-R61 WeakPolarHBondContact O-CG 3.45Å; E57-R61 PolarHBondContact O-N 3.43Å; E57-R61 IonicContact OE1-CZ 3.98Å; E57-R61 IonicContact OE1-NE 3.95Å; E57-R61 IonicContact OE1-NH2 3.93Å; E57-R61 PolarHBondContact OE1-NH2 3.47Å; E57-R61 IonicContact OE2-NH2 2.9Å; T58-R61 PolarHBondContact O-N 2.88Å; R61-E64 PolarHBondContact O-N 3.05Å; R61-V65 WeakPolarHBondContact O-CG2 3.36Å; R61-V65 PolarHBondContact O-N 3.14Å
62L82.4Confident83.3Confident102 Ų102102.7 Ų102.753%0.53449%0.494SS..Hα-helixtrans-61.2-46176.3-177.265.4000111.6T58 R59 T60 E64 V65 E66T58-L62 PolarHBondContact O-N 3.16Å; R59-L62 PolarHBondContact O-N 3.46Å; T60-L62 PolarHBondContact O-N 2.94Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 2.87Å; L62-V65 PolarHBondContact O-N 3.32Å; L62-E66 WeakPolarHBondContact O-CG 3.38Å; L62-E66 PolarHBondContact O-N 2.71Å
63S85.7Confident83.2Confident75 Ų75104.1 Ų104.152%0.52450%0.501SS..Hα-helixtrans-63.5-34.1178.1-172.20000112.5R59 T60 R67R59-S63 PolarHBondContact O-N 3.21Å; R59-S63 VanDerWaalsContact O-N 3.15Å; T60-S63 PolarHBondContact O-N 2.87Å; S63-R67 WeakPolarHBondContact O-CB 3.49Å; S63-R67 PolarHBondContact O-N 3.36Å; S63-R67 VanDerWaalsContact O-N 3.16Å
64E85.3Confident82.6Confident99 Ų99101 Ų10146%0.46350%0.497SS..Hα-helixtrans-67-44.5174-175157-138.900112.1T60 R61 L62 R67 E68T60-E64 PolarHBondContact O-N 2.98Å; T60-E64 VanDerWaalsContact O-N 3.09Å; R61-E64 PolarHBondContact O-N 3.05Å; L62-E64 VanDerWaalsContact C-N 3.28Å; L62-E64 PolarHBondContact O-N 2.87Å; E64-R67 PolarHBondContact O-N 3.04Å; E64-R67 IonicContact OE1-NH2 2.65Å; E64-E68 WeakPolarHBondContact O-CG 3.49Å; E64-E68 PolarHBondContact O-N 3.14Å
65V77.8Confident82.5Confident87 Ų87100.6 Ų100.653%0.52750%0.495SS..Hα-helixtrans-63.5-40.4176.7172.10000112R61 L62 R67 E68 R69R61-V65 WeakPolarHBondContact O-CG2 3.36Å; R61-V65 PolarHBondContact O-N 3.14Å; L62-V65 PolarHBondContact O-N 3.32Å; V65-R67 VanDerWaalsContact C-N 3.34Å; V65-R67 PolarHBondContact O-N 3.4Å; V65-E68 PolarHBondContact O-N 2.93Å; V65-R69 WeakPolarHBondContact O-CB 3.49Å; V65-R69 PolarHBondContact O-N 3.06Å
66E83.6Confident81.9Confident86 Ų86103.5 Ų103.540%0.40251%0.508SS..Hα-helixtrans-62-42.4175.3-73.3175.8158.200111.6L62 E68 R69 D70L62-E66 WeakPolarHBondContact O-CG 3.38Å; L62-E66 PolarHBondContact O-N 2.71Å; E66-E68 VanDerWaalsContact C-N 3.35Å; E66-E68 PolarHBondContact O-N 3.25Å; E66-R69 WeakPolarHBondContact O-CB 3.43Å; E66-R69 PolarHBondContact O-N 3.02Å; E66-D70 VanDerWaalsContact O-CG 3.28Å; E66-D70 PolarHBondContact O-N 3.49Å
67R86Confident81.3Confident128 Ų128103.5 Ų103.548%0.48351%0.514SS..Hα-helixtrans-65.7-37.4175.9-173.1-17365.4142.4-2.9112.1S63 E64 V65 D70 K71S63-R67 WeakPolarHBondContact O-CB 3.49Å; S63-R67 PolarHBondContact O-N 3.36Å; S63-R67 VanDerWaalsContact O-N 3.16Å; E64-R67 PolarHBondContact O-N 3.04Å; E64-R67 IonicContact OE1-NH2 2.65Å; V65-R67 VanDerWaalsContact C-N 3.34Å; V65-R67 PolarHBondContact O-N 3.4Å; R67-D70 PolarHBondContact O-N 2.93Å; R67-K71 WeakPolarHBondContact O-CG 3.29Å; R67-K71 PolarHBondContact O-N 3.4Å
68E81.9Confident80.8Confident102 Ų102103.2 Ų103.248%0.47753%0.528SS..Hα-helixtrans-66.6-44.3174.2-74.9-174170.500111.9E64 V65 E66 D70 K71 L72E64-E68 WeakPolarHBondContact O-CG 3.49Å; E64-E68 PolarHBondContact O-N 3.14Å; V65-E68 PolarHBondContact O-N 2.93Å; E66-E68 VanDerWaalsContact C-N 3.35Å; E66-E68 PolarHBondContact O-N 3.25Å; E68-D70 VanDerWaalsContact C-N 3.3Å; E68-D70 PolarHBondContact O-N 2.89Å; E68-K71 PolarHBondContact O-N 2.66Å; E68-L72 WeakPolarHBondContact O-CB 3.44Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.11Å
69R86.2Confident80.6Confident141 Ų141107.8 Ų107.853%0.53254%0.541SS..Hα-helixtrans-54.6-47.5172.3178.5-147.662.8-162.2-9.2110.8V65 E66 K71 L72 H73V65-R69 WeakPolarHBondContact O-CB 3.49Å; V65-R69 PolarHBondContact O-N 3.06Å; E66-R69 WeakPolarHBondContact O-CB 3.43Å; E66-R69 PolarHBondContact O-N 3.02Å; R69-K71 PolarHBondContact O-N 2.85Å; R69-L72 PolarHBondContact O-N 3.39Å; R69-H73 VanDerWaalsContact O-CB 3.3Å; R69-H73 WeakPolarHBondContact O-CB 3.29Å; R69-H73 PolarHBondContact O-N 2.83Å
70D85.6Confident80Confident81 Ų81104 Ų10443%0.43353%0.53SS..Hα-helixtrans-66.4-39-178.5-69.1-18000112.5E66 R67 E68 H73 A74E66-D70 VanDerWaalsContact O-CG 3.28Å; E66-D70 PolarHBondContact O-N 3.49Å; R67-D70 PolarHBondContact O-N 2.93Å; E68-D70 VanDerWaalsContact C-N 3.3Å; E68-D70 PolarHBondContact O-N 2.89Å; D70-H73 PolarHBondContact O-N 2.97Å; D70-A74 WeakPolarHBondContact O-CB 3.43Å; D70-A74 PolarHBondContact O-N 3.24Å
71K82.4Confident79.4Confident112 Ų112103.2 Ų103.249%0.48753%0.527SS..Hα-helixtrans-62.7-45172.2-78.3-179.9-179.6-179.70111.8R67 E68 R69 H73 A74 Q75R67-K71 WeakPolarHBondContact O-CG 3.29Å; R67-K71 PolarHBondContact O-N 3.4Å; E68-K71 PolarHBondContact O-N 2.66Å; R69-K71 PolarHBondContact O-N 2.85Å; K71-H73 VanDerWaalsContact C-N 3.34Å; K71-A74 PolarHBondContact O-N 3.36Å; K71-Q75 WeakPolarHBondContact O-CB 3.17Å; K71-Q75 VanDerWaalsContact O-CG 3.26Å; K71-Q75 WeakPolarHBondContact O-CG 3.49Å; K71-Q75 PolarHBondContact O-N 3.45Å
72L72Confident79Confident109 Ų109103.7 Ų103.757%0.57154%0.535SS*.Hα-helixtrans-64.9-40.2177.7-72.4174.1000111.1E68 R69 Q75 L76E68-L72 WeakPolarHBondContact O-CB 3.44Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.11Å; R69-L72 PolarHBondContact O-N 3.39Å; L72-Q75 PolarHBondContact O-N 3.25Å; L72-L76 WeakPolarHBondContact O-CB 3.28Å; L72-L76 PolarHBondContact O-N 3.49Å
73H76Confident78.6Confident130 Ų130103.1 Ų103.160%0.60253%0.532SS*.Hα-helixtrans-66.2-43.9178.2-160.178.2000111.8R69 D70 K71 Q75 L76 S77R69-H73 VanDerWaalsContact O-CB 3.3Å; R69-H73 WeakPolarHBondContact O-CB 3.29Å; R69-H73 PolarHBondContact O-N 2.83Å; D70-H73 PolarHBondContact O-N 2.97Å; K71-H73 VanDerWaalsContact C-N 3.34Å; H73-Q75 VanDerWaalsContact C-N 3.35Å; H73-Q75 PolarHBondContact O-N 3Å; H73-L76 PolarHBondContact O-N 3.05Å; H73-S77 WeakPolarHBondContact O-CB 3.48Å; H73-S77 PolarHBondContact O-N 2.96Å
74A78Confident78Confident61 Ų61101.2 Ų101.250%0.50452%0.517SS..Hα-helixtrans-61.8-41.2174.100000112D70 K71 A78D70-A74 WeakPolarHBondContact O-CB 3.43Å; D70-A74 PolarHBondContact O-N 3.24Å; K71-A74 PolarHBondContact O-N 3.36Å; A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 2.89Å
75Q78.5Confident77.6Confident115 Ų11599.2 Ų99.254%0.53751%0.512SS..Hα-helixtrans-66.5-38.8175.5-73.817720.300112.6K71 L72 H73 K79K71-Q75 WeakPolarHBondContact O-CB 3.17Å; K71-Q75 VanDerWaalsContact O-CG 3.26Å; K71-Q75 WeakPolarHBondContact O-CG 3.49Å; K71-Q75 PolarHBondContact O-N 3.45Å; L72-Q75 PolarHBondContact O-N 3.25Å; H73-Q75 VanDerWaalsContact C-N 3.35Å; H73-Q75 PolarHBondContact O-N 3Å; Q75-K79 WeakPolarHBondContact O-CB 3.33Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.07Å
76L68.8Low77.6Confident114 Ų11499.9 Ų99.960%0.59751%0.509SS*.Hα-helixtrans-67.4-44177.8-158.2104.3000110.8L72 H73 K79 M80L72-L76 WeakPolarHBondContact O-CB 3.28Å; L72-L76 PolarHBondContact O-N 3.49Å; H73-L76 PolarHBondContact O-N 3.05Å; L76-K79 PolarHBondContact O-N 2.92Å; L76-M80 HydrophobicContact CD2-CE 4.4Å; L76-M80 PolarHBondContact O-N 3.15Å
77S73.6Confident77Confident76 Ų7697.7 Ų97.753%0.53150%0.5SS..Hα-helixtrans-61.7-45.1175.9-179.80000111.6H73 K79 M80H73-S77 WeakPolarHBondContact O-CB 3.48Å; H73-S77 PolarHBondContact O-N 2.96Å; S77-K79 PolarHBondContact O-N 3.35Å; S77-M80 PolarHBondContact O-N 3.4Å
78A76.2Confident76.6Confident88 Ų8893 Ų9373%0.72749%0.486SS*.Hα-helixtrans-65.8-23.4178.300000114.1A74A74-A78 WeakPolarHBondContact O-CB 3.39Å; A74-A78 PolarHBondContact O-N 2.89Å
79K77.1Confident76.7Confident176 Ų17695.2 Ų95.277%0.76549%0.494SS*.THydrogen-bonded Turntrans-96.9-2.3178.6-72.6-173.4178-1710113.7Q75 L76 S77 P81Q75-K79 WeakPolarHBondContact O-CB 3.33Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.07Å; L76-K79 PolarHBondContact O-N 2.92Å; S77-K79 PolarHBondContact O-N 3.35Å; K79-P81 WeakPolarHBondContact O-CD 3.27Å
80M71.8Confident76.6Confident74 Ų7492.8 Ų92.837%0.36549%0.487SS..SBendtrans-76.5126-175.9-158.7178.3-56.200110.6L76 S77 V84 V85L76-M80 HydrophobicContact CD2-CE 4.4Å; L76-M80 PolarHBondContact O-N 3.15Å; S77-M80 PolarHBondContact O-N 3.4Å; M80-V84 HydrophobicContact CG-CB 4.5Å; M80-V84 HydrophobicContact CG-CG1 4.33Å; M80-V84 HydrophobicContact SD-CG1 4.36Å; M80-V85 HydrophobicContact CB-CG2 4.14Å; M80-V85 HydrophobicContact CG-CG2 3.99Å; M80-V85 HydrophobicContact SD-CG2 3.86Å
81P75.7Confident76.3Confident74 Ų7489.8 Ų89.848%0.48147%0.471SS..  trans-58.6138.4176-26.536.7000112.6K79 D83 V84 V85K79-P81 WeakPolarHBondContact O-CD 3.27Å; P81-D83 VanDerWaalsContact C-N 3.3Å; P81-D83 WeakPolarHBondContact CB-OD1 3.41Å; P81-D83 PolarHBondContact O-N 3.48Å; P81-V84 HydrophobicContact CB-CB 4.5Å; P81-V84 HydrophobicContact CB-CG2 4.13Å; P81-V84 HydrophobicContact CG-CG2 4.46Å; P81-V84 WeakPolarHBondContact O-CB 3.33Å; P81-V84 PolarHBondContact O-N 3.42Å; P81-V84 VanDerWaalsContact O-N 3.08Å; P81-V85 PolarHBondContact O-N 3.2Å; P81-V85 VanDerWaalsContact O-N 3.1Å
82Q74.1Confident76.3Confident148 Ų14888.2 Ų88.269%0.69247%0.471SS*.Hα-helixtrans-64-32.7-171.9-170.566.715.600113.3V85 E86Q82-V85 WeakPolarHBondContact O-CB 3.26Å; Q82-V85 PolarHBondContact O-N 2.91Å; Q82-E86 PolarHBondContact O-N 3.44Å
83D74.7Confident77.2Confident90 Ų9087.8 Ų87.848%0.48147%0.466SS..Hα-helixtrans-63.3-41.4173.159.6-37.4000111.7P81 V85 E86 M87P81-D83 VanDerWaalsContact C-N 3.3Å; P81-D83 WeakPolarHBondContact CB-OD1 3.41Å; P81-D83 PolarHBondContact O-N 3.48Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 3.31Å; D83-E86 PolarHBondContact O-N 3.29Å; D83-M87 WeakPolarHBondContact O-CB 3.31Å; D83-M87 VanDerWaalsContact O-CG 3.26Å; D83-M87 WeakPolarHBondContact O-CG 3.46Å; D83-M87 PolarHBondContact O-N 3.41Å
84V73.5Confident77.8Confident34 Ų3481.9 Ų81.921%0.20644%0.44CS..Hα-helixtrans-66.7-35.9174.61790000111.2M80 P81 S88M80-V84 HydrophobicContact CG-CB 4.5Å; M80-V84 HydrophobicContact CG-CG1 4.33Å; M80-V84 HydrophobicContact SD-CG1 4.36Å; P81-V84 HydrophobicContact CB-CB 4.5Å; P81-V84 HydrophobicContact CB-CG2 4.13Å; P81-V84 HydrophobicContact CG-CG2 4.46Å; P81-V84 WeakPolarHBondContact O-CB 3.33Å; P81-V84 PolarHBondContact O-N 3.42Å; P81-V84 VanDerWaalsContact O-N 3.08Å; V84-S88 VanDerWaalsContact O-CB 3.26Å; V84-S88 WeakPolarHBondContact O-CB 3.5Å; V84-S88 PolarHBondContact O-N 3.37Å; V84-S88 PolarHBondContact O-OG 3.04Å
85V75.5Confident78.2Confident57 Ų5782 Ų8235%0.34543%0.43SS..Hα-helixtrans-65.1-47.1173.5177.60000111M80 P81 Q82 D83 S88 K89M80-V85 HydrophobicContact CB-CG2 4.14Å; M80-V85 HydrophobicContact CG-CG2 3.99Å; M80-V85 HydrophobicContact SD-CG2 3.86Å; P81-V85 PolarHBondContact O-N 3.2Å; P81-V85 VanDerWaalsContact O-N 3.1Å; Q82-V85 WeakPolarHBondContact O-CB 3.26Å; Q82-V85 PolarHBondContact O-N 2.91Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 3.31Å; V85-S88 PolarHBondContact O-N 2.84Å; V85-K89 PolarHBondContact O-N 3.15Å
86E78.4Confident78.8Confident101 Ų10183.4 Ų83.447%0.47244%0.436SS..Hα-helixtrans-63.6-44.2178.1-168.5-175.8155.200111.9Q82 D83 S88 K89 K90Q82-E86 PolarHBondContact O-N 3.44Å; D83-E86 PolarHBondContact O-N 3.29Å; E86-S88 VanDerWaalsContact C-N 3.28Å; E86-S88 PolarHBondContact O-N 3.45Å; E86-K89 WeakPolarHBondContact O-CB 3.36Å; E86-K89 PolarHBondContact O-N 2.9Å; E86-K89 VanDerWaalsContact O-N 3.16Å; E86-K90 PolarHBondContact O-N 2.87Å; E86-K90 WeakPolarHBondContact OE1-CE 3.49Å; E86-K90 IonicContact OE1-NZ 2.84Å; E86-K90 PolarHBondContact OE1-NZ 3.34Å
87M72Confident79.7Confident41 Ų4181 Ų8120%0.20242%0.422CS..Hα-helixtrans-63.1-35.5174.4-72.5-62.1-64.400112.1D83 L91 L239 S242D83-M87 WeakPolarHBondContact O-CB 3.31Å; D83-M87 VanDerWaalsContact O-CG 3.26Å; D83-M87 WeakPolarHBondContact O-CG 3.46Å; D83-M87 PolarHBondContact O-N 3.41Å; M87-L91 VanDerWaalsContact O-CB 3.25Å; M87-L91 WeakPolarHBondContact O-CB 3.43Å; M87-L91 PolarHBondContact O-N 3.21Å; M87-L239 HydrophobicContact CE-CD2 3.57Å; M87-L239 HydrophobicContact SD-CD2 4.35Å; M87-S242 WeakPolarHBondContact CE-OG 3.4Å
88S77.1Confident80.5Confident29 Ų2978.7 Ų78.720%0.20340%0.403CS..Hα-helixtrans-69.7-34.9175.4-59.60000111.5V84 V85 E86 L91 T92 K243V84-S88 VanDerWaalsContact O-CB 3.26Å; V84-S88 WeakPolarHBondContact O-CB 3.5Å; V84-S88 PolarHBondContact O-N 3.37Å; V84-S88 PolarHBondContact O-OG 3.04Å; V85-S88 PolarHBondContact O-N 2.84Å; E86-S88 VanDerWaalsContact C-N 3.28Å; E86-S88 PolarHBondContact O-N 3.45Å; S88-L91 PolarHBondContact O-N 3.38Å; S88-T92 WeakPolarHBondContact O-CG2 3.33Å; S88-T92 PolarHBondContact O-N 3.47Å; S88-T92 PolarHBondContact O-OG1 2.83Å; S88-K243 PolarHBondContact OG-NZ 3.48Å
89K83.1Confident81Confident148 Ų14879.4 Ų79.464%0.64339%0.394SS*.Hα-helixtrans-66.5-46173.8-170.2-176.7177-1720112.2V85 E86 L91 T92 E93V85-K89 PolarHBondContact O-N 3.15Å; E86-K89 WeakPolarHBondContact O-CB 3.36Å; E86-K89 PolarHBondContact O-N 2.9Å; E86-K89 VanDerWaalsContact O-N 3.16Å; K89-L91 VanDerWaalsContact C-N 3.29Å; K89-L91 PolarHBondContact O-N 3.45Å; K89-T92 WeakPolarHBondContact CA-OG1 3.47Å; K89-T92 PolarHBondContact O-N 3.4Å; K89-T92 PolarHBondContact O-OG1 3.49Å; K89-E93 WeakPolarHBondContact O-CB 3.42Å; K89-E93 PolarHBondContact O-N 2.75Å
90K84Confident81.7Confident90 Ų9076 Ų7639%0.39138%0.381SS..Hα-helixtrans-62.2-39.3174.6-71179.2-174.7161.60111.4E86 E93 V94 L239E86-K90 PolarHBondContact O-N 2.87Å; E86-K90 WeakPolarHBondContact OE1-CE 3.49Å; E86-K90 IonicContact OE1-NZ 2.84Å; E86-K90 PolarHBondContact OE1-NZ 3.34Å; K90-E93 PolarHBondContact O-N 3.45Å; K90-V94 WeakPolarHBondContact O-CG2 3.48Å; K90-V94 PolarHBondContact O-N 2.77Å; K90-L239 HydrophobicContact CB-CD1 4.39Å; K90-L239 HydrophobicContact CB-CD2 4.41Å
91L80.2Confident82.4Confident18 Ų1874.9 Ų74.99%0.09437%0.372CS..Hα-helixtrans-60.6-48174.7-170.974.5000111.3M87 S88 K89 E93 V94 E95 L236 L239 K240M87-L91 VanDerWaalsContact O-CB 3.25Å; M87-L91 WeakPolarHBondContact O-CB 3.43Å; M87-L91 PolarHBondContact O-N 3.21Å; S88-L91 PolarHBondContact O-N 3.38Å; K89-L91 VanDerWaalsContact C-N 3.29Å; K89-L91 PolarHBondContact O-N 3.45Å; L91-E93 VanDerWaalsContact C-N 3.32Å; L91-E93 PolarHBondContact O-N 2.98Å; L91-V94 PolarHBondContact O-N 3.32Å; L91-E95 WeakPolarHBondContact O-CB 3.29Å; L91-E95 VanDerWaalsContact O-CG 3.29Å; L91-E95 WeakPolarHBondContact O-CG 3.33Å; L91-E95 PolarHBondContact O-N 2.8Å; L91-L236 HydrophobicContact CD1-CD1 3.49Å; L91-L236 VanDerWaalsContact CD1-CD1 3.49Å; L91-L236 HydrophobicContact CD1-CG 4.3Å; L91-L236 HydrophobicContact CG-CD1 4.25Å; L91-L239 HydrophobicContact CD1-CB 4Å; L91-K240 HydrophobicContact CD1-CD 4.38Å; L91-K240 HydrophobicContact CD1-CG 3.59Å; L91-K240 HydrophobicContact CD2-CG 4.45Å
92T83Confident83Confident80 Ų8073.6 Ų73.649%0.49137%0.365SS..Hα-helixtrans-64.4-36.3177.849.30000112.6S88 K89 E95 E96S88-T92 WeakPolarHBondContact O-CG2 3.33Å; S88-T92 PolarHBondContact O-N 3.47Å; S88-T92 PolarHBondContact O-OG1 2.83Å; K89-T92 WeakPolarHBondContact CA-OG1 3.47Å; K89-T92 PolarHBondContact O-N 3.4Å; K89-T92 PolarHBondContact O-OG1 3.49Å; T92-E95 PolarHBondContact O-N 2.93Å; T92-E96 WeakPolarHBondContact O-CB 3.23Å; T92-E96 PolarHBondContact O-N 3.2Å
93E89.5Confident83.6Confident99 Ų9971 Ų7146%0.46336%0.356SS..Hα-helixtrans-66.8-42.9177.9-176.7175179.600111.9K89 K90 L91 E96 Q97K89-E93 WeakPolarHBondContact O-CB 3.42Å; K89-E93 PolarHBondContact O-N 2.75Å; K90-E93 PolarHBondContact O-N 3.45Å; L91-E93 VanDerWaalsContact C-N 3.32Å; L91-E93 PolarHBondContact O-N 2.98Å; E93-E96 PolarHBondContact O-N 3.23Å; E93-Q97 WeakPolarHBondContact O-CG 3.3Å; E93-Q97 PolarHBondContact O-N 2.96Å
94V88.2Confident84.4Confident7 Ų770 Ų704%0.04235%0.348CS..Hα-helixtrans-67.4-37.4174.2174.40000111.2K90 L91 Q97 L98 L232 E235 L236 L239K90-V94 WeakPolarHBondContact O-CG2 3.48Å; K90-V94 PolarHBondContact O-N 2.77Å; L91-V94 PolarHBondContact O-N 3.32Å; V94-Q97 PolarHBondContact O-N 2.88Å; V94-L98 VanDerWaalsContact O-CB 3.28Å; V94-L98 WeakPolarHBondContact O-CB 3.29Å; V94-L98 PolarHBondContact O-N 3.39Å; V94-L232 HydrophobicContact CG1-CD2 4.34Å; V94-E235 HydrophobicContact CG2-CG 4.28Å; V94-L236 HydrophobicContact CB-CD1 4.28Å; V94-L236 HydrophobicContact CG1-CB 3.94Å; V94-L236 HydrophobicContact CG1-CD1 3.95Å; V94-L239 HydrophobicContact CB-CD1 4.28Å; V94-L239 HydrophobicContact CG2-CD1 3.71Å
95E87.9Confident85.2Confident64 Ų6468.9 Ų68.930%0.29934%0.341SS..Hα-helixtrans-62.9-41.7173.9-72.9178.1159.700111.6L91 T92 L98 I99 L236 K240L91-E95 WeakPolarHBondContact O-CB 3.29Å; L91-E95 VanDerWaalsContact O-CG 3.29Å; L91-E95 WeakPolarHBondContact O-CG 3.33Å; L91-E95 PolarHBondContact O-N 2.8Å; T92-E95 PolarHBondContact O-N 2.93Å; E95-L98 PolarHBondContact O-N 3.1Å; E95-I99 WeakPolarHBondContact O-CD1 3.41Å; E95-I99 VanDerWaalsContact O-CG1 3.26Å; E95-I99 WeakPolarHBondContact O-CG1 3.49Å; E95-I99 PolarHBondContact O-N 2.91Å; E95-L236 HydrophobicContact CG-CD1 3.4Å; E95-L236 VanDerWaalsContact CG-CD1 3.4Å; E95-L236 HydrophobicContact CG-CD2 4.28Å; E95-L236 HydrophobicContact CG-CG 4.49Å; E95-K240 WeakPolarHBondContact OE1-CE 3.27Å; E95-K240 IonicContact OE1-NZ 2.64Å; E95-K240 PolarHBondContact OE1-NZ 2.9Å
96E89.8Confident85.9Confident143 Ų14370.3 Ų70.367%0.66835%0.347SS*.Hα-helixtrans-66.3-44.9176.4-171172.5-168.500111.9T92 E93 L98 I99 E100T92-E96 WeakPolarHBondContact O-CB 3.23Å; T92-E96 PolarHBondContact O-N 3.2Å; E93-E96 PolarHBondContact O-N 3.23Å; E96-L98 VanDerWaalsContact C-N 3.29Å; E96-L98 PolarHBondContact O-N 3.42Å; E96-I99 PolarHBondContact O-N 2.83Å; E96-E100 PolarHBondContact O-N 3.27Å
97Q89.1Confident86.4Confident65 Ų6571.1 Ų71.130%0.30435%0.354SS..Hα-helixtrans-61.2-37.6174.2-72.4-179.926.700112.1E93 V94 E100 R101 L232E93-Q97 WeakPolarHBondContact O-CG 3.3Å; E93-Q97 PolarHBondContact O-N 2.96Å; V94-Q97 PolarHBondContact O-N 2.88Å; Q97-E100 PolarHBondContact O-N 3.5Å; Q97-R101 VanDerWaalsContact O-CG 3.23Å; Q97-R101 WeakPolarHBondContact O-CG 3.47Å; Q97-R101 PolarHBondContact O-N 3.43Å; Q97-L232 HydrophobicContact CB-CD1 4.01Å; Q97-L232 HydrophobicContact CB-CD2 4.4Å
98L89.8Confident87.4Confident26 Ų2669.7 Ų69.714%0.13635%0.348CS..Hα-helixtrans-65.2-42.8177.2-175.368.7000111.2V94 E95 E96 R101 C102 V229 L232 E233 L236V94-L98 VanDerWaalsContact O-CB 3.28Å; V94-L98 WeakPolarHBondContact O-CB 3.29Å; V94-L98 PolarHBondContact O-N 3.39Å; E95-L98 PolarHBondContact O-N 3.1Å; E96-L98 VanDerWaalsContact C-N 3.29Å; E96-L98 PolarHBondContact O-N 3.42Å; L98-R101 PolarHBondContact O-N 3.48Å; L98-C102 WeakPolarHBondContact O-CB 3.46Å; L98-C102 PolarHBondContact O-N 3.26Å; L98-C102 PolarHBondContact O-SG 3.08Å; L98-V229 HydrophobicContact CD1-CB 4.32Å; L98-V229 HydrophobicContact CD1-CG1 3.79Å; L98-V229 HydrophobicContact CD1-CG2 4.35Å; L98-L232 HydrophobicContact CD1-CB 3.99Å; L98-E233 HydrophobicContact CD1-CG 3.79Å; L98-E233 HydrophobicContact CD2-CG 4.22Å; L98-L236 HydrophobicContact CD2-CD2 4.34Å
99I87.6Confident88.1Confident103 Ų10370.9 Ų70.953%0.52835%0.349SS..Hα-helixtrans-61.8-49.4175.9-67.4162.7000110E95 E96 R101 C102 D103E95-I99 WeakPolarHBondContact O-CD1 3.41Å; E95-I99 VanDerWaalsContact O-CG1 3.26Å; E95-I99 WeakPolarHBondContact O-CG1 3.49Å; E95-I99 PolarHBondContact O-N 2.91Å; E96-I99 PolarHBondContact O-N 2.83Å; I99-R101 VanDerWaalsContact C-N 3.33Å; I99-R101 PolarHBondContact O-N 3.29Å; I99-C102 WeakPolarHBondContact O-CB 3.24Å; I99-C102 PolarHBondContact O-N 2.74Å; I99-C102 VanDerWaalsContact O-N 3.07Å; I99-D103 PolarHBondContact O-N 3.14Å
100E90Very high88.3Confident106 Ų10666.1 Ų66.150%0.49534%0.337SS..Hα-helixtrans-59-41.6179.6-165.7-160.5169.700112.3E96 Q97 D103 E104E96-E100 PolarHBondContact O-N 3.27Å; Q97-E100 PolarHBondContact O-N 3.5Å; E100-D103 PolarHBondContact O-N 3.3Å; E100-E104 PolarHBondContact O-N 3.17Å
101R87.4Confident88.6Confident49 Ų4966.1 Ų66.119%0.18534%0.339CS..Hα-helixtrans-70.9-32.1176.1-64.7-66.387.664.2-9.2112.6Q97 L98 I99 E104 I105 K228 V229 L232Q97-R101 VanDerWaalsContact O-CG 3.23Å; Q97-R101 WeakPolarHBondContact O-CG 3.47Å; Q97-R101 PolarHBondContact O-N 3.43Å; L98-R101 PolarHBondContact O-N 3.48Å; I99-R101 VanDerWaalsContact C-N 3.33Å; I99-R101 PolarHBondContact O-N 3.29Å; R101-E104 IonicContact CZ-OE2 3.61Å; R101-E104 IonicContact NE-OE2 3.53Å; R101-E104 PolarHBondContact NE-OE2 3.47Å; R101-E104 IonicContact NH2-OE2 2.74Å; R101-I105 VanDerWaalsContact O-CG1 3.3Å; R101-I105 WeakPolarHBondContact O-CG1 3.34Å; R101-I105 PolarHBondContact O-N 3.47Å; R101-K228 HydrophobicContact CG-CG 4.45Å; R101-V229 HydrophobicContact CB-CG2 3.53Å; R101-L232 HydrophobicContact CG-CD1 3.87Å
102C87.3Confident89.2Confident48 Ų4869.1 Ų69.132%0.32435%0.349SS..Hα-helixtrans-65.9-43173.6-77.60000111.3L98 I99 I105 D106L98-C102 WeakPolarHBondContact O-CB 3.46Å; L98-C102 PolarHBondContact O-N 3.26Å; L98-C102 PolarHBondContact O-SG 3.08Å; I99-C102 WeakPolarHBondContact O-CB 3.24Å; I99-C102 PolarHBondContact O-N 2.74Å; I99-C102 VanDerWaalsContact O-N 3.07Å; C102-I105 WeakPolarHBondContact O-CB 3.27Å; C102-I105 PolarHBondContact O-N 3.42Å; C102-D106 PolarHBondContact O-N 3.42Å; C102-D106 VanDerWaalsContact O-N 3.1Å
103D87.3Confident89.5Confident94 Ų9468.2 Ų68.250%0.50334%0.341SS..Hα-helixtrans-62.6-44.5175.2-67.2-17.6000110.7I99 E100 I105 D106 D107I99-D103 PolarHBondContact O-N 3.14Å; E100-D103 PolarHBondContact O-N 3.3Å; D103-I105 VanDerWaalsContact C-N 3.3Å; D103-I105 PolarHBondContact O-N 2.99Å; D103-D106 PolarHBondContact O-N 3.27Å; D103-D106 VanDerWaalsContact O-N 3.11Å; D103-D107 PolarHBondContact O-N 3.42Å
104E90.9Very high89.6Confident67 Ų6768.6 Ų68.631%0.31335%0.346SS..Hα-helixtrans-57.9-39.8174.2-172-167.3149.300112.5E100 R101 D106 D107 L108 S225E100-E104 PolarHBondContact O-N 3.17Å; R101-E104 IonicContact CZ-OE2 3.61Å; R101-E104 IonicContact NE-OE2 3.53Å; R101-E104 PolarHBondContact NE-OE2 3.47Å; R101-E104 IonicContact NH2-OE2 2.74Å; E104-D106 VanDerWaalsContact C-N 3.34Å; E104-D107 PolarHBondContact O-N 3.37Å; E104-L108 HydrophobicContact CG-CD1 4.12Å; E104-L108 WeakPolarHBondContact O-CB 3.33Å; E104-L108 VanDerWaalsContact O-CG 3.25Å; E104-L108 WeakPolarHBondContact O-CG 3.49Å; E104-L108 PolarHBondContact O-N 2.95Å; E104-S225 PolarHBondContact OE1-OG 3.37Å
105I90.9Very high89.6Confident12 Ų1269.2 Ų69.26%0.06235%0.349CS..Hα-helixtrans-63.8-41.2176.6-79.1169.9000111.3R101 C102 D103 L108 K109 L222 Q226 V229R101-I105 VanDerWaalsContact O-CG1 3.3Å; R101-I105 WeakPolarHBondContact O-CG1 3.34Å; R101-I105 PolarHBondContact O-N 3.47Å; C102-I105 WeakPolarHBondContact O-CB 3.27Å; C102-I105 PolarHBondContact O-N 3.42Å; D103-I105 VanDerWaalsContact C-N 3.3Å; D103-I105 PolarHBondContact O-N 2.99Å; I105-L108 PolarHBondContact O-N 3.27Å; I105-K109 HydrophobicContact CG2-CD 4.24Å; I105-K109 VanDerWaalsContact CG2-CE 3.4Å; I105-K109 HydrophobicContact CG2-CG 4.46Å; I105-K109 WeakPolarHBondContact O-CB 3.46Å; I105-K109 VanDerWaalsContact O-CG 3.27Å; I105-K109 WeakPolarHBondContact O-CG 3.47Å; I105-K109 PolarHBondContact O-N 2.75Å; I105-L222 HydrophobicContact CB-CD1 4.32Å; I105-L222 HydrophobicContact CG1-CD1 4.32Å; I105-L222 HydrophobicContact CG2-CD1 3.91Å; I105-Q226 HydrophobicContact CD1-CB 4.4Å; I105-Q226 HydrophobicContact CD1-CG 3.82Å; I105-Q226 HydrophobicContact CG1-CG 4.21Å; I105-V229 HydrophobicContact CD1-CB 4.14Å; I105-V229 HydrophobicContact CD1-CG2 3.5Å
106D89.8Confident89.8Confident87 Ų8772.3 Ų72.347%0.46536%0.361SS..Hα-helixtrans-70-38-179.1-73.6-16.7000111.3C102 D103 E104 K109 A110C102-D106 PolarHBondContact O-N 3.42Å; C102-D106 VanDerWaalsContact O-N 3.1Å; D103-D106 PolarHBondContact O-N 3.27Å; D103-D106 VanDerWaalsContact O-N 3.11Å; E104-D106 VanDerWaalsContact C-N 3.34Å; D106-K109 PolarHBondContact O-N 2.97Å; D106-K109 IonicContact OD1-NZ 2.77Å; D106-K109 PolarHBondContact OD1-NZ 3Å; D106-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 PolarHBondContact O-N 2.88Å
107D89.6Confident89.8Confident117 Ų11769.9 Ų69.963%0.62635%0.352SS*.Hα-helixtrans-61.5-46.3170.2-75.5-19000112D103 E104 K109 A110 E111D103-D107 PolarHBondContact O-N 3.42Å; E104-D107 PolarHBondContact O-N 3.37Å; D107-K109 PolarHBondContact O-N 2.94Å; D107-A110 WeakPolarHBondContact O-CB 3.31Å; D107-A110 PolarHBondContact O-N 3.42Å; D107-E111 WeakPolarHBondContact O-CB 3.48Å; D107-E111 PolarHBondContact O-N 3.26Å
108L92.5Very high89.9Confident12 Ų1270 Ų706%0.06335%0.354CS..Hα-helixtrans-66-34.3177.6-73.2170.8000112.6E104 I105 R112 V218 R221 L222E104-L108 HydrophobicContact CG-CD1 4.12Å; E104-L108 WeakPolarHBondContact O-CB 3.33Å; E104-L108 VanDerWaalsContact O-CG 3.25Å; E104-L108 WeakPolarHBondContact O-CG 3.49Å; E104-L108 PolarHBondContact O-N 2.95Å; I105-L108 PolarHBondContact O-N 3.27Å; L108-R112 WeakPolarHBondContact O-CB 3.46Å; L108-R112 PolarHBondContact O-N 2.81Å; L108-V218 HydrophobicContact CD2-CG1 4.4Å; L108-R221 HydrophobicContact CD1-CB 4.18Å; L108-R221 HydrophobicContact CD2-CB 4.09Å; L108-L222 HydrophobicContact CB-CB 4.2Å; L108-L222 HydrophobicContact CB-CD1 3.94Å
109K92.5Very high90.2Very high53 Ų5369.7 Ų69.723%0.2335%0.352CS..Hα-helixtrans-65.6-43.1172.1-76.2173.3-164.2152.70111I105 D106 D107 R112 N113 L222I105-K109 HydrophobicContact CG2-CD 4.24Å; I105-K109 VanDerWaalsContact CG2-CE 3.4Å; I105-K109 HydrophobicContact CG2-CG 4.46Å; I105-K109 WeakPolarHBondContact O-CB 3.46Å; I105-K109 VanDerWaalsContact O-CG 3.27Å; I105-K109 WeakPolarHBondContact O-CG 3.47Å; I105-K109 PolarHBondContact O-N 2.75Å; D106-K109 PolarHBondContact O-N 2.97Å; D106-K109 IonicContact OD1-NZ 2.77Å; D106-K109 PolarHBondContact OD1-NZ 3Å; D107-K109 PolarHBondContact O-N 2.94Å; K109-R112 PolarHBondContact O-N 2.92Å; K109-N113 WeakPolarHBondContact O-CB 3.32Å; K109-N113 PolarHBondContact O-N 3.16Å; K109-L222 HydrophobicContact CG-CD1 4.02Å; K109-L222 HydrophobicContact CG-CD2 4.09Å
110A86.2Confident90.3Very high48 Ų4870.3 Ų70.340%0.39735%0.353SS..Hα-helixtrans-63.9-4417700000111.2D106 D107 R112 N113 N114D106-A110 WeakPolarHBondContact O-CB 3.46Å; D106-A110 PolarHBondContact O-N 2.88Å; D107-A110 WeakPolarHBondContact O-CB 3.31Å; D107-A110 PolarHBondContact O-N 3.42Å; A110-R112 PolarHBondContact O-N 3.49Å; A110-N113 PolarHBondContact O-N 2.92Å; A110-N114 VanDerWaalsContact O-CG 3.28Å; A110-N114 PolarHBondContact O-N 2.86Å; A110-N114 PolarHBondContact O-ND2 2.86Å
111E91.1Very high90.4Very high90 Ų9070.3 Ų70.342%0.42135%0.353SS..Hα-helixtrans-59.8-45.6175.3-170177.6-173.600111.6D107 N113 N114 M115 V218D107-E111 WeakPolarHBondContact O-CB 3.48Å; D107-E111 PolarHBondContact O-N 3.26Å; E111-N113 PolarHBondContact O-N 2.82Å; E111-N114 PolarHBondContact O-N 3.47Å; E111-M115 PolarHBondContact O-N 3.33Å; E111-V218 HydrophobicContact CB-CG1 4.25Å; E111-V218 HydrophobicContact CG-CG1 4.29Å; E111-V218 HydrophobicContact CG-CG2 4.2Å
112R91.9Very high90.7Very high82 Ų8268.5 Ų68.531%0.30935%0.347SS..Hα-helixtrans-61.5-43175.5-168.6-167.4-178.8-173.13.1112.2L108 K109 A110 N114 M115 K116 D215 V218L108-R112 WeakPolarHBondContact O-CB 3.46Å; L108-R112 PolarHBondContact O-N 2.81Å; K109-R112 PolarHBondContact O-N 2.92Å; A110-R112 PolarHBondContact O-N 3.49Å; R112-N114 VanDerWaalsContact C-N 3.34Å; R112-N114 PolarHBondContact O-N 2.87Å; R112-M115 PolarHBondContact O-N 3.13Å; R112-K116 WeakPolarHBondContact O-CB 3.45Å; R112-K116 PolarHBondContact O-N 3.38Å; R112-D215 WeakPolarHBondContact CG-OD1 3.34Å; R112-V218 HydrophobicContact CB-CG1 3.97Å
113N91.2Very high91Very high61 Ų6171.8 Ų71.833%0.32636%0.357SS..Hα-helixtrans-61.8-44.3178.1-173.546.8000111.2K109 A110 E111 M115 K116 I117K109-N113 WeakPolarHBondContact O-CB 3.32Å; K109-N113 PolarHBondContact O-N 3.16Å; A110-N113 PolarHBondContact O-N 2.92Å; E111-N113 PolarHBondContact O-N 2.82Å; N113-M115 VanDerWaalsContact C-N 3.35Å; N113-M115 PolarHBondContact O-N 3.41Å; N113-K116 PolarHBondContact O-N 3.35Å; N113-I117 WeakPolarHBondContact O-CG1 3.28Å; N113-I117 PolarHBondContact O-N 3.08Å
114N90.4Very high91.1Very high106 Ų10671.1 Ų71.157%0.56735%0.354SS*.Hα-helixtrans-61.7-41.6175.4-68.6-22.7000111.9A110 E111 R112 I117 L118A110-N114 VanDerWaalsContact O-CG 3.28Å; A110-N114 PolarHBondContact O-N 2.86Å; A110-N114 PolarHBondContact O-ND2 2.86Å; E111-N114 PolarHBondContact O-N 3.47Å; R112-N114 VanDerWaalsContact C-N 3.34Å; R112-N114 PolarHBondContact O-N 2.87Å; N114-I117 PolarHBondContact O-N 3.03Å; N114-L118 WeakPolarHBondContact O-CB 3.3Å; N114-L118 PolarHBondContact O-N 2.93Å
115M88.8Confident91.1Very high21 Ų2170 Ų7010%0.10335%0.35CS..Hα-helixtrans-63.7-40.5175.7-167.864.265.300112.1E111 R112 N113 L118 L119 H211 L214 D215E111-M115 PolarHBondContact O-N 3.33Å; R112-M115 PolarHBondContact O-N 3.13Å; N113-M115 VanDerWaalsContact C-N 3.35Å; N113-M115 PolarHBondContact O-N 3.41Å; M115-L118 WeakPolarHBondContact O-CB 3.35Å; M115-L118 PolarHBondContact O-N 3.39Å; M115-L118 HydrophobicContact SD-CD2 4.47Å; M115-L119 HydrophobicContact CG-CD1 4.37Å; M115-L119 WeakPolarHBondContact O-CB 3.28Å; M115-L119 WeakPolarHBondContact O-CG 3.47Å; M115-L119 PolarHBondContact O-N 3.17Å; M115-H211 HydrophobicContact SD-CB 3.86Å; M115-H211 PolarHBondContact SD-ND1 3.43Å; M115-L214 HydrophobicContact CE-CB 3.79Å; M115-L214 HydrophobicContact CE-CD1 4.26Å; M115-L214 HydrophobicContact SD-CB 4.25Å; M115-D215 HydrophobicContact CB-CB 4.49Å; M115-D215 HydrophobicContact CG-CB 3.62Å
116K91.4Very high91.2Very high128 Ų12870.3 Ų70.356%0.55735%0.352SS*.Hα-helixtrans-63.6-44.5177.1-170.8-179.1178.7-172.10112.2R112 N113 L118 L119 E120R112-K116 WeakPolarHBondContact O-CB 3.45Å; R112-K116 PolarHBondContact O-N 3.38Å; N113-K116 PolarHBondContact O-N 3.35Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-L118 PolarHBondContact O-N 3.41Å; K116-L119 PolarHBondContact O-N 2.98Å; K116-E120 PolarHBondContact O-N 3.35Å
117I89.8Confident91.2Very high92 Ų9268.8 Ų68.847%0.47235%0.352SS..Hα-helixtrans-62.1-41.8175.3-66.7167000110.4N113 N114 E120 H121N113-I117 WeakPolarHBondContact O-CG1 3.28Å; N113-I117 PolarHBondContact O-N 3.08Å; N114-I117 PolarHBondContact O-N 3.03Å; I117-E120 PolarHBondContact O-N 3.26Å; I117-H121 PolarHBondContact O-N 3.46Å
118L92.2Very high91Very high67 Ų6770 Ų7035%0.35135%0.348SS..Hα-helixtrans-63.6-42.4177-17761.2000111.8N114 M115 K116 H121 L122 H211N114-L118 WeakPolarHBondContact O-CB 3.3Å; N114-L118 PolarHBondContact O-N 2.93Å; M115-L118 WeakPolarHBondContact O-CB 3.35Å; M115-L118 PolarHBondContact O-N 3.39Å; M115-L118 HydrophobicContact SD-CD2 4.47Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-L118 PolarHBondContact O-N 3.41Å; L118-H121 PolarHBondContact O-N 3.16Å; L118-L122 HydrophobicContact CD1-CD1 4.46Å; L118-L122 HydrophobicContact CD1-CG 4.47Å; L118-L122 HydrophobicContact CG-CD1 4.18Å; L118-L122 WeakPolarHBondContact O-CB 3.42Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 3Å; L118-H211 WeakPolarHBondContact CD2-CE1 3.47Å; L118-H211 WeakPolarHBondContact CD2-ND1 3.32Å
119L94.8Very high90.8Very high20 Ų2072.1 Ų72.111%0.10536%0.357CS..Hα-helixtrans-62.7-44.7175.5-78.4170.2000112.1M115 K116 H121 L122 E123 F208 H211 K212 D215M115-L119 HydrophobicContact CG-CD1 4.37Å; M115-L119 WeakPolarHBondContact O-CB 3.28Å; M115-L119 WeakPolarHBondContact O-CG 3.47Å; M115-L119 PolarHBondContact O-N 3.17Å; K116-L119 PolarHBondContact O-N 2.98Å; L119-H121 VanDerWaalsContact C-N 3.31Å; L119-H121 PolarHBondContact O-N 3.3Å; L119-L122 PolarHBondContact O-N 3.27Å; L119-E123 WeakPolarHBondContact O-CB 3.42Å; L119-E123 PolarHBondContact O-N 3.39Å; L119-F208 HydrophobicContact CB-CE2 4.29Å; L119-F208 HydrophobicContact CD2-CD2 3.76Å; L119-F208 HydrophobicContact CD2-CE2 3.71Å; L119-F208 HydrophobicContact CD2-CG 4.44Å; L119-F208 HydrophobicContact CD2-CZ 4.35Å; L119-F208 WeakPolarHBondContact CD2-O 3.44Å; L119-F208 WeakPolarHBondContact O-CE2 3.43Å; L119-H211 HydrophobicContact CD2-CB 3.71Å; L119-H211 HydrophobicContact CG-CB 4.23Å; L119-K212 HydrophobicContact CD2-CB 4.14Å; L119-D215 HydrophobicContact CD1-CB 3.85Å
120E91.2Very high90.7Very high117 Ų11772.2 Ų72.255%0.54736%0.358SS..Hα-helixtrans-60.9-41.2175.3-176-177.5172.300111.6K116 I117 E123 N124K116-E120 PolarHBondContact O-N 3.35Å; I117-E120 PolarHBondContact O-N 3.26Å; E120-E123 PolarHBondContact O-N 2.94Å; E120-N124 WeakPolarHBondContact O-CB 3.5Å; E120-N124 PolarHBondContact O-N 3.22Å; E120-N124 PolarHBondContact O-ND2 3.42Å
121H91.9Very high90.6Very high106 Ų10676.6 Ų76.649%0.49137%0.369SS..Hα-helixtrans-64.5-43.4176.4-167.682.9000112I117 L118 L119 N124 L125I117-H121 PolarHBondContact O-N 3.46Å; L118-H121 PolarHBondContact O-N 3.16Å; L119-H121 VanDerWaalsContact C-N 3.31Å; L119-H121 PolarHBondContact O-N 3.3Å; H121-N124 PolarHBondContact O-N 3.15Å; H121-L125 WeakPolarHBondContact O-CB 3.49Å; H121-L125 PolarHBondContact O-N 3.45Å
122L94.1Very high90.2Very high10 Ų1074.9 Ų74.95%0.05237%0.366CS..Hα-helixtrans-66.3-41177.4-74.5174000111.7L118 L119 L125 V126 L207 F208 H211L118-L122 HydrophobicContact CD1-CD1 4.46Å; L118-L122 HydrophobicContact CD1-CG 4.47Å; L118-L122 HydrophobicContact CG-CD1 4.18Å; L118-L122 WeakPolarHBondContact O-CB 3.42Å; L118-L122 WeakPolarHBondContact O-CG 3.42Å; L118-L122 PolarHBondContact O-N 3Å; L119-L122 PolarHBondContact O-N 3.27Å; L122-L125 PolarHBondContact O-N 3.47Å; L122-V126 WeakPolarHBondContact O-CB 3.43Å; L122-V126 VanDerWaalsContact O-CG2 3.26Å; L122-V126 WeakPolarHBondContact O-CG2 3.47Å; L122-V126 PolarHBondContact O-N 3.25Å; L122-L207 HydrophobicContact CD1-CD2 4.48Å; L122-L207 HydrophobicContact CD1-CG 4.16Å; L122-L207 HydrophobicContact CD2-CD2 3.88Å; L122-L207 HydrophobicContact CD2-CG 4.34Å; L122-F208 HydrophobicContact CB-CB 4.39Å; L122-F208 HydrophobicContact CB-CD2 3.82Å; L122-H211 HydrophobicContact CD1-CB 4.37Å
123E92.3Very high89.8Confident117 Ų11772.3 Ų72.355%0.54736%0.359SS..Hα-helixtrans-59.9-48.5174.7-175172.1-162.500110.9L119 E120 L125 V126 A127 F208L119-E123 WeakPolarHBondContact O-CB 3.42Å; L119-E123 PolarHBondContact O-N 3.39Å; E120-E123 PolarHBondContact O-N 2.94Å; E123-L125 VanDerWaalsContact C-N 3.29Å; E123-L125 PolarHBondContact O-N 3.36Å; E123-V126 PolarHBondContact O-N 3.3Å; E123-A127 WeakPolarHBondContact O-CB 3.36Å; E123-A127 PolarHBondContact O-N 3.4Å; E123-F208 HydrophobicContact CB-CD2 4.42Å; E123-F208 HydrophobicContact CB-CE2 3.8Å; E123-F208 HydrophobicContact CB-CZ 4.42Å
124N89.6Confident89.3Confident80 Ų8077 Ų7743%0.42837%0.372SS..Hα-helixtrans-61.7-35.7175.1-78.8-44.8000112.6E120 H121 R128E120-N124 WeakPolarHBondContact O-CB 3.5Å; E120-N124 PolarHBondContact O-N 3.22Å; E120-N124 PolarHBondContact O-ND2 3.42Å; H121-N124 PolarHBondContact O-N 3.15Å; N124-R128 WeakPolarHBondContact O-CB 3.45Å; N124-R128 VanDerWaalsContact O-CG 3.24Å; N124-R128 WeakPolarHBondContact O-CG 3.2Å; N124-R128 PolarHBondContact O-N 2.92Å; N124-R128 PolarHBondContact O-NE 3.28Å; N124-R128 VanDerWaalsContact O-NE 3.14Å
125L91.6Very high88.5Confident45 Ų4577.6 Ų77.624%0.23637%0.372CS..Hα-helixtrans-71.7-41.6177.7-171.262.1000112H121 L122 E123 R128 H129 L204H121-L125 WeakPolarHBondContact O-CB 3.49Å; H121-L125 PolarHBondContact O-N 3.45Å; L122-L125 PolarHBondContact O-N 3.47Å; E123-L125 VanDerWaalsContact C-N 3.29Å; E123-L125 PolarHBondContact O-N 3.36Å; L125-R128 PolarHBondContact O-N 3.5Å; L125-H129 PolarHBondContact O-N 2.97Å; L125-H129 PolarHBondContact O-ND1 3.31Å; L125-L204 HydrophobicContact CD2-CD1 4.31Å; L125-L204 HydrophobicContact CD2-CD2 3.75Å; L125-L204 HydrophobicContact CG-CD1 4.15Å; L125-L204 HydrophobicContact CG-CD2 4.41Å
126V92.3Very high88.1Confident17 Ų1778.5 Ų78.510%0.10338%0.379CS..Hα-helixtrans-62.4-48.1173.81690000110L122 E123 R128 H129 E130 L201 L204 K205L122-V126 WeakPolarHBondContact O-CB 3.43Å; L122-V126 VanDerWaalsContact O-CG2 3.26Å; L122-V126 WeakPolarHBondContact O-CG2 3.47Å; L122-V126 PolarHBondContact O-N 3.25Å; E123-V126 PolarHBondContact O-N 3.3Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 3.27Å; V126-H129 PolarHBondContact O-N 2.74Å; V126-E130 WeakPolarHBondContact O-CB 3.32Å; V126-E130 PolarHBondContact O-N 2.94Å; V126-L201 HydrophobicContact CG1-CD1 4.04Å; V126-L204 HydrophobicContact CG2-CB 3.82Å; V126-K205 HydrophobicContact CG1-CD 4.33Å; V126-K205 HydrophobicContact CG1-CG 3.73Å; V126-K205 HydrophobicContact CG2-CG 4.28Å
127A90Very high87.4Confident56 Ų5674.9 Ų74.946%0.46337%0.368SS..Hα-helixtrans-61.4-40.6178.100000112.2E123 E130 K131E123-A127 WeakPolarHBondContact O-CB 3.36Å; E123-A127 PolarHBondContact O-N 3.4Å; A127-E130 PolarHBondContact O-N 3.04Å; A127-K131 WeakPolarHBondContact O-CB 3.35Å; A127-K131 PolarHBondContact O-N 2.96Å
128R86.1Confident86.7Confident142 Ų14274.4 Ų74.454%0.53637%0.369SS..Hα-helixtrans-64.7-45.6175.1-79.7-178.2-69.4-172.71.5112.5N124 L125 V126 E130 K131 S132N124-R128 WeakPolarHBondContact O-CB 3.45Å; N124-R128 VanDerWaalsContact O-CG 3.24Å; N124-R128 WeakPolarHBondContact O-CG 3.2Å; N124-R128 PolarHBondContact O-N 2.92Å; N124-R128 PolarHBondContact O-NE 3.28Å; N124-R128 VanDerWaalsContact O-NE 3.14Å; L125-R128 PolarHBondContact O-N 3.5Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 3.27Å; R128-E130 VanDerWaalsContact C-N 3.34Å; R128-K131 PolarHBondContact O-N 3.43Å; R128-S132 WeakPolarHBondContact O-CB 3.29Å; R128-S132 PolarHBondContact O-N 2.89Å
129H87.3Confident85.8Confident56 Ų5678.5 Ų78.526%0.25938%0.384SS..Hα-helixtrans-65.6-38.9176.5-81.980.2000111.4L125 V126 S132 L133 L201 L204L125-H129 PolarHBondContact O-N 2.97Å; L125-H129 PolarHBondContact O-ND1 3.31Å; V126-H129 PolarHBondContact O-N 2.74Å; H129-S132 WeakPolarHBondContact O-CB 3.23Å; H129-S132 PolarHBondContact O-N 3.01Å; H129-L133 WeakPolarHBondContact O-CB 3.45Å; H129-L133 PolarHBondContact O-N 2.9Å; H129-L201 HydrophobicContact CB-CD1 3.75Å; H129-L204 HydrophobicContact CB-CD1 4.42Å
130E91.1Very high84.5Confident55 Ų5583.3 Ų83.326%0.25740%0.401SS..Hα-helixtrans-63.8-42.9175.5-170.7170.5149.100111.7V126 A127 R128 L133 R134 L201 K205V126-E130 WeakPolarHBondContact O-CB 3.32Å; V126-E130 PolarHBondContact O-N 2.94Å; A127-E130 PolarHBondContact O-N 3.04Å; R128-E130 VanDerWaalsContact C-N 3.34Å; E130-L133 PolarHBondContact O-N 3.34Å; E130-R134 WeakPolarHBondContact O-CG 3.39Å; E130-R134 PolarHBondContact O-N 3.37Å; E130-R134 IonicContact OE1-CZ 3.64Å; E130-R134 IonicContact OE1-NE 3.97Å; E130-R134 PolarHBondContact OE1-NE 3.43Å; E130-R134 IonicContact OE1-NH2 2.97Å; E130-R134 PolarHBondContact OE1-NH2 2.94Å; E130-L201 HydrophobicContact CB-CD1 4.39Å; E130-L201 HydrophobicContact CB-CD2 4.26Å; E130-L201 HydrophobicContact CG-CD2 4.48Å; E130-K205 IonicContact OE2-NZ 3Å; E130-K205 PolarHBondContact OE2-NZ 2.98Å
131K83.5Confident83.4Confident141 Ų14183.8 Ų83.861%0.61340%0.403SS*.Hα-helixtrans-64.5-42.7174.2-173.7177179.71780112.1A127 R128 L133 R134 M135A127-K131 WeakPolarHBondContact O-CB 3.35Å; A127-K131 PolarHBondContact O-N 2.96Å; R128-K131 PolarHBondContact O-N 3.43Å; K131-L133 VanDerWaalsContact C-N 3.33Å; K131-L133 PolarHBondContact O-N 3.23Å; K131-R134 PolarHBondContact O-N 3.14Å; K131-M135 WeakPolarHBondContact O-CG 3.41Å; K131-M135 PolarHBondContact O-N 2.94Å
132S82.2Confident82Confident53 Ų5382.4 Ų82.437%0.37140%0.402SS..Hα-helixtrans-56.1-49.2174.31790000110.7R128 H129 R134 M135 T136 E197R128-S132 WeakPolarHBondContact O-CB 3.29Å; R128-S132 PolarHBondContact O-N 2.89Å; H129-S132 WeakPolarHBondContact O-CB 3.23Å; H129-S132 PolarHBondContact O-N 3.01Å; S132-R134 PolarHBondContact O-N 3.38Å; S132-M135 PolarHBondContact O-N 3.18Å; S132-T136 PolarHBondContact O-N 3.03Å; S132-T136 PolarHBondContact O-OG1 3.14Å; S132-T136 VanDerWaalsContact O-OG1 3.11Å; S132-E197 PolarHBondContact OG-OE1 2.86Å
133L84.4Confident80.2Confident29 Ų2985.4 Ų85.415%0.15242%0.424CS..Hα-helixtrans-61.7-44.9178.9-167.374.9000111.6H129 E130 K131 M135 T136 V137 L194 E197 V198 L201H129-L133 WeakPolarHBondContact O-CB 3.45Å; H129-L133 PolarHBondContact O-N 2.9Å; E130-L133 PolarHBondContact O-N 3.34Å; K131-L133 VanDerWaalsContact C-N 3.33Å; K131-L133 PolarHBondContact O-N 3.23Å; L133-M135 VanDerWaalsContact C-N 3.33Å; L133-M135 PolarHBondContact O-N 3.31Å; L133-T136 PolarHBondContact O-N 2.82Å; L133-V137 WeakPolarHBondContact O-CB 3.36Å; L133-V137 VanDerWaalsContact O-CG2 3.27Å; L133-V137 WeakPolarHBondContact O-CG2 3.46Å; L133-V137 PolarHBondContact O-N 2.88Å; L133-L194 HydrophobicContact CD1-CD2 4.09Å; L133-E197 HydrophobicContact CD1-CB 4.08Å; L133-E197 HydrophobicContact CD1-CG 3.99Å; L133-V198 HydrophobicContact CD1-CG2 4.01Å; L133-V198 HydrophobicContact CD2-CG2 3.86Å; L133-L201 HydrophobicContact CD2-CD2 4.28Å
134R81.2Confident78.6Confident160 Ų16083.8 Ų83.860%0.60442%0.422SS*.Hα-helixtrans-58.7-43.3174.5-72.3177.4-171.2-125.45.8111.7E130 K131 S132 V137 V138E130-R134 WeakPolarHBondContact O-CG 3.39Å; E130-R134 PolarHBondContact O-N 3.37Å; E130-R134 IonicContact OE1-CZ 3.64Å; E130-R134 IonicContact OE1-NE 3.97Å; E130-R134 PolarHBondContact OE1-NE 3.43Å; E130-R134 IonicContact OE1-NH2 2.97Å; E130-R134 PolarHBondContact OE1-NH2 2.94Å; K131-R134 PolarHBondContact O-N 3.14Å; S132-R134 PolarHBondContact O-N 3.38Å; R134-V137 PolarHBondContact O-N 3.35Å; R134-V138 WeakPolarHBondContact O-CB 3.44Å; R134-V138 VanDerWaalsContact O-CG2 3.23Å; R134-V138 WeakPolarHBondContact O-CG2 3.45Å; R134-V138 PolarHBondContact O-N 2.83Å
135M73.6Confident76.9Confident117 Ų11783.2 Ų83.258%0.57643%0.428SS*.Hα-helixtrans-66.3-40.6177.3-71.1-59-63.100112.4K131 S132 L133 V138 K139K131-M135 WeakPolarHBondContact O-CG 3.41Å; K131-M135 PolarHBondContact O-N 2.94Å; S132-M135 PolarHBondContact O-N 3.18Å; L133-M135 VanDerWaalsContact C-N 3.33Å; L133-M135 PolarHBondContact O-N 3.31Å; M135-V138 PolarHBondContact O-N 2.92Å; M135-K139 VanDerWaalsContact O-CB 3.29Å; M135-K139 WeakPolarHBondContact O-CB 3.47Å; M135-K139 PolarHBondContact O-N 3.32Å
136T79.8Confident74.8Confident41 Ų4188.7 Ų88.725%0.25245%0.454SS..Hα-helixtrans-64.1-41.4175.9-62.60000111.4S132 L133 R140 L194S132-T136 PolarHBondContact O-N 3.03Å; S132-T136 PolarHBondContact O-OG1 3.14Å; S132-T136 VanDerWaalsContact O-OG1 3.11Å; L133-T136 PolarHBondContact O-N 2.82Å; T136-R140 PolarHBondContact O-N 3.16Å; T136-R140 VanDerWaalsContact O-N 3.13Å; T136-L194 HydrophobicContact CG2-CD2 4.09Å
137V75.8Confident72.7Confident52 Ų5291.4 Ų91.432%0.31547%0.474SS..Hα-helixtrans-63.7-49.2174.6170.10000110.7L133 R134 K139 R140 H141L133-V137 WeakPolarHBondContact O-CB 3.36Å; L133-V137 VanDerWaalsContact O-CG2 3.27Å; L133-V137 WeakPolarHBondContact O-CG2 3.46Å; L133-V137 PolarHBondContact O-N 2.88Å; R134-V137 PolarHBondContact O-N 3.35Å; V137-K139 PolarHBondContact O-N 3.41Å; V137-R140 PolarHBondContact O-N 3.02Å; V137-H141 PolarHBondContact O-CD2 3.3Å; V137-H141 PolarHBondContact O-N 3.42Å
138V75.4Confident70.6Confident81 Ų8195.4 Ų95.449%0.49149%0.488SS..Hα-helixtrans-58.4-46176.8169.70000111.6R134 M135 R140 H141 T142R134-V138 WeakPolarHBondContact O-CB 3.44Å; R134-V138 VanDerWaalsContact O-CG2 3.23Å; R134-V138 WeakPolarHBondContact O-CG2 3.45Å; R134-V138 PolarHBondContact O-N 2.83Å; M135-V138 PolarHBondContact O-N 2.92Å; V138-R140 VanDerWaalsContact C-N 3.28Å; V138-R140 PolarHBondContact O-N 3.4Å; V138-H141 PolarHBondContact O-N 3.28Å; V138-T142 PolarHBondContact O-N 2.95Å; V138-T142 PolarHBondContact O-OG1 3.42Å
139K73.3Confident68.2Low154 Ų15493.1 Ų93.167%0.6749%0.494SS*.Hα-helixtrans-64-31.2-179.7-169.8172.9-177.5175.80112.8M135 V137 T142 S143M135-K139 VanDerWaalsContact O-CB 3.29Å; M135-K139 WeakPolarHBondContact O-CB 3.47Å; M135-K139 PolarHBondContact O-N 3.32Å; V137-K139 PolarHBondContact O-N 3.41Å; K139-T142 PolarHBondContact O-OG1 3.35Å; K139-S143 WeakPolarHBondContact O-CB 3.49Å; K139-S143 PolarHBondContact O-N 3.23Å; K139-S143 PolarHBondContact O-OG 2.87Å
140R67.2Low65.7Low120 Ų12096.2 Ų96.245%0.45352%0.517SS..Hα-helixtrans-76.2-37.8173.2-74.8-167179.9119.1-1.7112.3T136 V137 V138 S143 T144T136-R140 PolarHBondContact O-N 3.16Å; T136-R140 VanDerWaalsContact O-N 3.13Å; V137-R140 PolarHBondContact O-N 3.02Å; V138-R140 VanDerWaalsContact C-N 3.28Å; V138-R140 PolarHBondContact O-N 3.4Å; R140-S143 PolarHBondContact O-N 3Å; R140-T144 PolarHBondContact O-N 2.88Å; R140-T144 PolarHBondContact O-OG1 2.9Å
141H68.3Low63Low127 Ų127101.4 Ų101.459%0.58855%0.546SS*.Hα-helixtrans-62.7-42.7174.3-77.3-63.4000112.3V137 V138 S143 T144 A145V137-H141 PolarHBondContact O-CD2 3.3Å; V137-H141 PolarHBondContact O-N 3.42Å; V138-H141 PolarHBondContact O-N 3.28Å; H141-S143 VanDerWaalsContact C-N 3.33Å; H141-S143 PolarHBondContact O-N 3.24Å; H141-T144 PolarHBondContact O-N 3.5Å; H141-A145 WeakPolarHBondContact O-CB 3.4Å; H141-A145 PolarHBondContact O-N 2.93Å
142T63.9Low60.5Low77 Ų7799.5 Ų99.547%0.47255%0.551SS.*Hα-helixtrans-64.7-38.317655.80000112V138 K139 T144 A145 M146V138-T142 PolarHBondContact O-N 2.95Å; V138-T142 PolarHBondContact O-OG1 3.42Å; K139-T142 PolarHBondContact O-OG1 3.35Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.26Å; T142-A145 PolarHBondContact O-N 2.89Å; T142-M146 WeakPolarHBondContact O-CG 3.26Å; T142-M146 PolarHBondContact O-N 3.42Å
143S55.2Low57.7Low74 Ų74104.8 Ų104.852%0.51757%0.574SS.*Hα-helixtrans-65.6-34.5176.1-57.40000112.7K139 R140 H141K139-S143 WeakPolarHBondContact O-CB 3.49Å; K139-S143 PolarHBondContact O-N 3.23Å; K139-S143 PolarHBondContact O-OG 2.87Å; R140-S143 PolarHBondContact O-N 3Å; H141-S143 VanDerWaalsContact C-N 3.33Å; H141-S143 PolarHBondContact O-N 3.24Å
144T59.7Low55.1Low83 Ų83110.7 Ų110.751%0.50960%0.604SS.*Hα-helixtrans-79-31.3178.5-39.30000111.8R140 H141 T142 M146 S147R140-T144 PolarHBondContact O-N 2.88Å; R140-T144 PolarHBondContact O-OG1 2.9Å; H141-T144 PolarHBondContact O-N 3.5Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.26Å; T144-M146 VanDerWaalsContact C-N 3.3Å; T144-M146 PolarHBondContact O-N 3.01Å; T144-S147 PolarHBondContact O-N 3.44Å; T144-S147 PolarHBondContact O-OG 3.4Å
145A52.6Low53.4Low67 Ų67108.5 Ų108.555%0.55461%0.611SS**Hα-helixtrans-66.6-32.6175.100000112.3H141 T142 S147H141-A145 WeakPolarHBondContact O-CB 3.4Å; H141-A145 PolarHBondContact O-N 2.93Å; T142-A145 PolarHBondContact O-N 2.89Å; A145-S147 VanDerWaalsContact C-N 3.27Å; A145-S147 PolarHBondContact O-N 2.92Å
146M48.6Very low51.1Low160 Ų160106.9 Ų106.979%0.78862%0.624SS**THydrogen-bonded Turntrans-72.5-14.8178.6-69.9-174.474.600114.2T142 T144T142-M146 WeakPolarHBondContact O-CG 3.26Å; T142-M146 PolarHBondContact O-N 3.42Å; T144-M146 VanDerWaalsContact C-N 3.3Å; T144-M146 PolarHBondContact O-N 3.01Å
147S48.2Very low48.7Very low75 Ų75108.9 Ų108.952%0.52465%0.653SS.*THydrogen-bonded Turntrans-91.8-11.6178.453.30000115T144 A145T144-S147 PolarHBondContact O-N 3.44Å; T144-S147 PolarHBondContact O-OG 3.4Å; A145-S147 VanDerWaalsContact C-N 3.27Å; A145-S147 PolarHBondContact O-N 2.92Å
148N44.7Very low46.3Very low139 Ų139112.8 Ų112.874%0.74368%0.677SS**SBendtrans-1088.9-172.8-76.57.2000115.6T150N148-T150 PolarHBondContact O-N 2.9Å
149S37.2Very low44Very low95 Ų95117.4 Ų117.466%0.66470%0.695SS**  trans-101.858.4177.556.80000112.9
150T34.4Very low42Very low120 Ų120114 Ų11474%0.73670%0.695SS**  trans-138.978.4155.555.20000108.6N148N148-T150 PolarHBondContact O-N 2.9Å
151N34Very low40Very low164 Ų164116.3 Ų116.388%0.87772%0.717SS**SBendtrans-156.5135.2153.3-93.9-28000110.2
152S30Very low38.1Very low102 Ų102113.9 Ų113.971%0.71373%0.726SS**  trans-33.9128.8-176.252.80000116.2
153L24.6Very low36.3Very low163 Ų163119.2 Ų119.285%0.85375%0.746SS**  64.3139.581.5-98.7144.2000115
154I29.7Very low35Very low153 Ų153122 Ų12279%0.78576%0.76SS**  trans86.1146.9166-15.4175000116.9
155P45.5Very low33.3Very low114 Ų114124 Ų12474%0.7477%0.771SS**  -137.7170.5-79.443.1-27.4000114.7
156G24.4Very low32.1Very low84 Ų84127.1 Ų127.187%0.86679%0.788SS**  trans65.999.613100000119.1
157G30.6Very low31Very low82 Ų82124.4 Ų124.485%0.84578%0.784SS**  trans-155.989.9162.900000110.3
158T25.7Very low29.8Very low134 Ų134128.2 Ų128.282%0.82279%0.794SS**  trans-76.8167.416733.60000111.6
159M27.1Very low29.1Very low179 Ų179131 Ų13188%0.88281%0.805SS**  trans91.5139.8170.4-48-63.9-83.400113.9
160A29.9Very low28.4Very low81 Ų81131.6 Ų131.667%0.66980%0.801SS**  cis-170.8160.3-13.700000105.4
161D26Very low28Very low170 Ų170132.4 Ų132.491%0.90980%0.799SS**  trans-29144.7173.2-56.8-45.6000117.9
162G29.1Very low27.7Very low75 Ų75132.2 Ų132.277%0.77380%0.797SS**  trans-178.475.3170.500000112.6
163E24.3Very low27.3Very low190 Ų190134.9 Ų134.989%0.88880%0.803SS**  trans-61.9124.4158.4-71.4178.1147.600109.6
164T27.8Very low27.5Very low133 Ų133132.9 Ų132.982%0.81680%0.803SS**  trans-168.4104.9140.44.80000111.1
165V25.6Very low27.3Very low124 Ų124131.1 Ų131.175%0.75281%0.805SS**  trans13118.7135.9-172.60000116.6
166C25.7Very low26.6Very low132 Ų132131.6 Ų131.689%0.89281%0.807SS**  trans-141.4122.8146.4-900000109.8
167S25.7Very low26.6Very low103 Ų103135 Ų13572%0.7281%0.806SS**  trans-74.7140.4179.2-52.80000112.3
168E24.5Very low26.4Very low155 Ų155142.1 Ų142.172%0.72481%0.809SS**  29.7108.8127.6-159.4168.2-154.400118.1
169M29.5Very low26.4Very low197 Ų197140.4 Ų140.497%0.9780%0.802SS**  trans-158.4154.6131.6-124.5-177.6-153.100111.6
170D23.3Very low26.4Very low109 Ų109139.2 Ų139.258%0.58380%0.796SS**  trans-107.1160.6-148.3-118.3-28.4000112
171I24.4Very low26.2Very low137 Ų137141.8 Ų141.870%0.70380%0.799SS**  trans73.3112.3149.3-57.7157.1000117.4
172L28.1Very low26.2Very low160 Ų160138 Ų13884%0.83879%0.792SS**  -176.6118.5107.2-89.5177.6000111.3
173N22.6Very low26.1Very low157 Ų157140.5 Ų140.584%0.8479%0.792SS**  trans-59.9138.4157.8-82.4-30.4000110.3
174S27.6Very low26.2Very low121 Ų121137.7 Ų137.785%0.84679%0.788SS**  trans-170.4126.9146-750000110.3
175S25Very low26.2Very low117 Ų117135.3 Ų135.382%0.81879%0.79SS**  trans-44.9155.1179.4-50.60000115.8
176P32.2Very low26.3Very low123 Ų123134.1 Ų134.180%0.79979%0.787SS**  -145.1137.6106.732.5-15.2000115.2
177N24.4Very low26.5Very low156 Ų156135.3 Ų135.383%0.83479%0.79SS**  trans-58.6131.1155.2-77.7-39.6000110.1
178Y25.2Very low26.8Very low231 Ų231135 Ų13591%0.90679%0.788SS**  trans-154.3120.4145.1-118.9-85000110.4
179S26.2Very low27.4Very low98 Ų98133.4 Ų133.469%0.68579%0.791SS**  trans-71.2141.2165.41070000109.1
180M28.5Very low27.9Very low154 Ų154129.1 Ų129.176%0.75978%0.781SS**  trans-167.7116.6142.3-94.9-44.6-144.900111.8
181N25.6Very low28.8Very low136 Ų136130.9 Ų130.973%0.72779%0.787SS**  trans52.4107.6132.2-67.2-8.6000121.9
182A25.8Very low30.1Very low91 Ų91128.4 Ų128.475%0.75279%0.787SS**  1.2131.512800000117.4
183T25.4Very low31.4Very low126 Ų126123.1 Ų123.177%0.77377%0.772SS**  trans-169.6133.9130.9-69.50000110.9
184T28.2Very low32.9Very low131 Ų131116.8 Ų116.880%0.80474%0.738SS**  trans64.7102.2158.957.70000121.4
185G27.3Very low34.5Very low83 Ų83112.5 Ų112.586%0.85671%0.712SS**  7275103.500000117.8
186S28.3Very low37Very low99 Ų99110.6 Ų110.669%0.69270%0.699SS**  trans-142.9119.7142.164.70000108.9S188S186-S188 VanDerWaalsContact C-N 3.34Å; S186-S188 PolarHBondContact O-N 3.49Å
187T29.2Very low39Very low158 Ų158107 Ų10797%0.96967%0.672SS**  trans-55.992.9174.113.80000109.8
188S31.4Very low41.7Very low95 Ų95103 Ų10366%0.66465%0.653SS**  trans-87.3138.5168.4-64.40000108.8S186 S190S186-S188 VanDerWaalsContact C-N 3.34Å; S186-S188 PolarHBondContact O-N 3.49Å; S188-S190 PolarHBondContact O-N 2.95Å
189P38.2Very low44.6Very low122 Ų12298.5 Ų98.579%0.79264%0.64SS**  trans-64.8130.3-173.127.1-32.3000110.1M191P189-M191 PolarHBondContact O-N 2.77Å; P189-M191 VanDerWaalsContact O-N 3.14Å
190S38.5Very low47.3Very low108 Ų10897.2 Ų97.276%0.75563%0.627SS**  trans-50.8113.7-174.857.20000112.9S188 A192S188-S190 PolarHBondContact O-N 2.95Å; S190-A192 PolarHBondContact O-N 3.43Å; S190-A192 VanDerWaalsContact O-N 3.1Å
191M43.4Very low50.1Low145 Ų14590.6 Ų90.671%0.71460%0.595SS**G310 helixtrans-69.38.4173.5-82.1-75.5-72.800114.7P189 G193 L194P189-M191 PolarHBondContact O-N 2.77Å; P189-M191 VanDerWaalsContact O-N 3.14Å; M191-G193 PolarHBondContact O-N 3.47Å; M191-G193 VanDerWaalsContact O-N 3.08Å; M191-L194 HydrophobicContact CE-CD1 3.78Å; M191-L194 PolarHBondContact O-N 3.28Å; M191-L194 HydrophobicContact SD-CD1 4.21Å
192A50.3Low53.2Low86 Ų8691.9 Ų91.971%0.71159%0.594SS**G310 helixtrans-63.1-20.7-168.200000115.2S190S190-A192 PolarHBondContact O-N 3.43Å; S190-A192 VanDerWaalsContact O-N 3.1Å
193G56.5Low56.2Low49 Ų4990.4 Ų90.451%0.50558%0.582SS.*G310 helixtrans-83.6-5.8-176.300000116.6M191M191-G193 PolarHBondContact O-N 3.47Å; M191-G193 VanDerWaalsContact O-N 3.08Å
194L53.3Low59.4Low24 Ų2485.7 Ų85.713%0.12655%0.552CS.*SBendtrans-92.3-19.6175.3-74.2172.8000113L133 T136 M191 S196 E197 V198L133-L194 HydrophobicContact CD1-CD2 4.09Å; T136-L194 HydrophobicContact CG2-CD2 4.09Å; M191-L194 HydrophobicContact CE-CD1 3.78Å; M191-L194 PolarHBondContact O-N 3.28Å; M191-L194 HydrophobicContact SD-CD1 4.21Å; L194-S196 PolarHBondContact O-N 3.13Å; L194-E197 PolarHBondContact O-N 2.89Å; L194-V198 WeakPolarHBondContact O-CG2 3.34Å; L194-V198 PolarHBondContact O-N 3.27Å; L194-V198 VanDerWaalsContact O-N 3.13Å
195G62.3Low62.5Low31 Ų3183.9 Ų83.932%0.3253%0.533SS..Hα-helixtrans-57.3-48.6-176.200000112.3E197 V198 E199G195-E197 PolarHBondContact O-N 3.11Å; G195-V198 PolarHBondContact O-N 2.87Å; G195-E199 WeakPolarHBondContact O-CB 3.47Å; G195-E199 VanDerWaalsContact O-CG 3.24Å; G195-E199 WeakPolarHBondContact O-CG 3.47Å; G195-E199 PolarHBondContact O-N 3.42Å
196S77.7Confident65.5Low77 Ų7783.8 Ų83.854%0.53852%0.519SS..Hα-helixtrans-64.7-37.6-177.661.30000113.5L194 V200L194-S196 PolarHBondContact O-N 3.13Å; S196-V200 WeakPolarHBondContact O-CB 3.19Å; S196-V200 WeakPolarHBondContact O-CG2 3.32Å; S196-V200 PolarHBondContact O-N 3.42Å
197E74.2Confident68.5Low48 Ų4882.7 Ų82.722%0.22451%0.505CS..Hα-helixtrans-73.6-35.7180-163.1174.9-176.400111.4S132 L133 L194 G195 L201S132-E197 PolarHBondContact OG-OE1 2.86Å; L133-E197 HydrophobicContact CD1-CB 4.08Å; L133-E197 HydrophobicContact CD1-CG 3.99Å; L194-E197 PolarHBondContact O-N 2.89Å; G195-E197 PolarHBondContact O-N 3.11Å; E197-L201 PolarHBondContact O-N 2.92Å
198V80.7Confident71.6Confident71 Ų7177.4 Ų77.443%0.4347%0.469SS..Hα-helixtrans-69.1-40.9173.7175.80000111.4L133 L194 G195 L201 K202L133-V198 HydrophobicContact CD1-CG2 4.01Å; L133-V198 HydrophobicContact CD2-CG2 3.86Å; L194-V198 WeakPolarHBondContact O-CG2 3.34Å; L194-V198 PolarHBondContact O-N 3.27Å; L194-V198 VanDerWaalsContact O-N 3.13Å; G195-V198 PolarHBondContact O-N 2.87Å; V198-L201 PolarHBondContact O-N 3.18Å; V198-K202 WeakPolarHBondContact O-CB 3.43Å; V198-K202 PolarHBondContact O-N 3.32Å
199E84.8Confident74.5Confident137 Ų13777.2 Ų77.264%0.6446%0.458SS*.Hα-helixtrans-62.2-43.1175-76.6170.2-165.800111.4G195 L201 K202 A203G195-E199 WeakPolarHBondContact O-CB 3.47Å; G195-E199 VanDerWaalsContact O-CG 3.24Å; G195-E199 WeakPolarHBondContact O-CG 3.47Å; G195-E199 PolarHBondContact O-N 3.42Å; E199-L201 PolarHBondContact O-N 2.91Å; E199-K202 PolarHBondContact O-N 3.45Å; E199-A203 WeakPolarHBondContact O-CB 3.45Å; E199-A203 PolarHBondContact O-N 3.02Å
200V84Confident77Confident70 Ų7076.8 Ų76.842%0.42445%0.445SS..Hα-helixtrans-60.6-44.8172.9169.90000110.9S196 K202 A203 L204S196-V200 WeakPolarHBondContact O-CB 3.19Å; S196-V200 WeakPolarHBondContact O-CG2 3.32Å; S196-V200 PolarHBondContact O-N 3.42Å; V200-K202 VanDerWaalsContact C-N 3.32Å; V200-K202 PolarHBondContact O-N 3.37Å; V200-A203 PolarHBondContact O-N 2.76Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.36Å; V200-L204 WeakPolarHBondContact O-CB 3.49Å; V200-L204 WeakPolarHBondContact O-CG 3.42Å; V200-L204 PolarHBondContact O-N 3.25Å
201L87.8Confident79.6Confident15 Ų1573.3 Ų73.38%0.07942%0.417CS..Hα-helixtrans-63.2-37.9177-174.265.4000112.1V126 H129 E130 L133 E197 V198 E199 L204 K205V126-L201 HydrophobicContact CG1-CD1 4.04Å; H129-L201 HydrophobicContact CB-CD1 3.75Å; E130-L201 HydrophobicContact CB-CD1 4.39Å; E130-L201 HydrophobicContact CB-CD2 4.26Å; E130-L201 HydrophobicContact CG-CD2 4.48Å; L133-L201 HydrophobicContact CD2-CD2 4.28Å; E197-L201 PolarHBondContact O-N 2.92Å; V198-L201 PolarHBondContact O-N 3.18Å; E199-L201 PolarHBondContact O-N 2.91Å; L201-L204 PolarHBondContact O-N 3.01Å; L201-K205 HydrophobicContact CG-CD 4.45Å; L201-K205 WeakPolarHBondContact O-CB 3.45Å; L201-K205 WeakPolarHBondContact O-CG 3.49Å; L201-K205 PolarHBondContact O-N 3.33Å
202K89.2Confident82.1Confident163 Ų16371.2 Ų71.271%0.70940%0.404SS*.Hα-helixtrans-65.8-42.2175.9-170.5178.2178.9-1770111.4V198 E199 V200 K205 S206V198-K202 WeakPolarHBondContact O-CB 3.43Å; V198-K202 PolarHBondContact O-N 3.32Å; E199-K202 PolarHBondContact O-N 3.45Å; V200-K202 VanDerWaalsContact C-N 3.32Å; V200-K202 PolarHBondContact O-N 3.37Å; K202-K205 PolarHBondContact O-N 3.35Å; K202-S206 WeakPolarHBondContact O-CB 3.45Å; K202-S206 PolarHBondContact O-N 3.32Å
203A89.7Confident84.1Confident61 Ų6170.2 Ų70.250%0.50439%0.388SS..Hα-helixtrans-63.2-43.9174.400000111.7E199 V200 S206 L207E199-A203 WeakPolarHBondContact O-CB 3.45Å; E199-A203 PolarHBondContact O-N 3.02Å; V200-A203 PolarHBondContact O-N 2.76Å; A203-S206 PolarHBondContact O-N 3.41Å; A203-L207 WeakPolarHBondContact O-CB 3.37Å; A203-L207 PolarHBondContact O-N 2.8Å
204L92.4Very high85.7Confident26 Ų2670.4 Ų70.414%0.13638%0.377CS..Hα-helixtrans-63.6-42.2176.5-72.5174000112.3L125 V126 H129 V200 L201 L207 F208L125-L204 HydrophobicContact CD2-CD1 4.31Å; L125-L204 HydrophobicContact CD2-CD2 3.75Å; L125-L204 HydrophobicContact CG-CD1 4.15Å; L125-L204 HydrophobicContact CG-CD2 4.41Å; V126-L204 HydrophobicContact CG2-CB 3.82Å; H129-L204 HydrophobicContact CB-CD1 4.42Å; V200-L204 HydrophobicContact CG1-CD1 4Å; V200-L204 HydrophobicContact CG1-CG 4.36Å; V200-L204 WeakPolarHBondContact O-CB 3.49Å; V200-L204 WeakPolarHBondContact O-CG 3.42Å; V200-L204 PolarHBondContact O-N 3.25Å; L201-L204 PolarHBondContact O-N 3.01Å; L204-L207 PolarHBondContact O-N 3.06Å; L204-F208 WeakPolarHBondContact O-CB 3.32Å; L204-F208 PolarHBondContact O-N 3.38Å
205K92.9Very high87.6Confident93 Ų9370.7 Ų70.740%0.40438%0.379SS..Hα-helixtrans-64.1-40174.8-75-175.9178.3-170.10111.8V126 E130 L201 K202 F208 E209V126-K205 HydrophobicContact CG1-CD 4.33Å; V126-K205 HydrophobicContact CG1-CG 3.73Å; V126-K205 HydrophobicContact CG2-CG 4.28Å; E130-K205 IonicContact OE2-NZ 3Å; E130-K205 PolarHBondContact OE2-NZ 2.98Å; L201-K205 HydrophobicContact CG-CD 4.45Å; L201-K205 WeakPolarHBondContact O-CB 3.45Å; L201-K205 WeakPolarHBondContact O-CG 3.49Å; L201-K205 PolarHBondContact O-N 3.33Å; K202-K205 PolarHBondContact O-N 3.35Å; K205-F208 PolarHBondContact O-N 3.48Å; K205-E209 PolarHBondContact O-N 3.24Å
206S90.7Very high89.1Confident81 Ų8174.9 Ų74.957%0.56639%0.391SS*.Hα-helixtrans-65.2-40.5174.8-171.20000112.5K202 A203 E209 H210K202-S206 WeakPolarHBondContact O-CB 3.45Å; K202-S206 PolarHBondContact O-N 3.32Å; A203-S206 PolarHBondContact O-N 3.41Å; S206-E209 PolarHBondContact O-N 2.79Å; S206-H210 PolarHBondContact O-N 2.77Å
207L91.3Very high89.8Confident76 Ų7677.4 Ų77.440%0.39839%0.392SS..Hα-helixtrans-65.8-41.8177.1-179.362.2000111.4L122 A203 L204 H210 H211L122-L207 HydrophobicContact CD1-CD2 4.48Å; L122-L207 HydrophobicContact CD1-CG 4.16Å; L122-L207 HydrophobicContact CD2-CD2 3.88Å; L122-L207 HydrophobicContact CD2-CG 4.34Å; A203-L207 WeakPolarHBondContact O-CB 3.37Å; A203-L207 PolarHBondContact O-N 2.8Å; L204-L207 PolarHBondContact O-N 3.06Å; L207-H210 PolarHBondContact O-N 3.44Å; L207-H211 PolarHBondContact O-CD2 3.26Å; L207-H211 PolarHBondContact O-N 3.35Å
208F94.5Very high90.8Very high47 Ų4775.6 Ų75.621%0.20638%0.384CS..Hα-helixtrans-57.8-48.3173.2177.6-96.8000111.5L119 L122 E123 L204 K205 H210 H211 K212L119-F208 HydrophobicContact CB-CE2 4.29Å; L119-F208 HydrophobicContact CD2-CD2 3.76Å; L119-F208 HydrophobicContact CD2-CE2 3.71Å; L119-F208 HydrophobicContact CD2-CG 4.44Å; L119-F208 HydrophobicContact CD2-CZ 4.35Å; L119-F208 WeakPolarHBondContact CD2-O 3.44Å; L119-F208 WeakPolarHBondContact O-CE2 3.43Å; L122-F208 HydrophobicContact CB-CB 4.39Å; L122-F208 HydrophobicContact CB-CD2 3.82Å; E123-F208 HydrophobicContact CB-CD2 4.42Å; E123-F208 HydrophobicContact CB-CE2 3.8Å; E123-F208 HydrophobicContact CB-CZ 4.42Å; L204-F208 WeakPolarHBondContact O-CB 3.32Å; L204-F208 PolarHBondContact O-N 3.38Å; K205-F208 PolarHBondContact O-N 3.48Å; F208-H210 VanDerWaalsContact C-N 3.34Å; F208-H210 PolarHBondContact O-N 3.5Å; F208-H211 PolarHBondContact O-N 3.45Å; F208-K212 HydrophobicContact CE1-CD 4.45Å; F208-K212 WeakPolarHBondContact O-CB 3.26Å; F208-K212 PolarHBondContact O-N 2.87Å
209E92.3Very high91.3Very high92 Ų9275.7 Ų75.743%0.4338%0.379SS..Hα-helixtrans-64.4-37.8179.2-160.763.3-152.200112.2K205 S206 K212 V213K205-E209 PolarHBondContact O-N 3.24Å; S206-E209 PolarHBondContact O-N 2.79Å; E209-K212 WeakPolarHBondContact O-CB 3.35Å; E209-K212 PolarHBondContact O-N 2.98Å; E209-K212 IonicContact OE1-NZ 3.57Å; E209-K212 PolarHBondContact OE1-NZ 2.93Å; E209-K212 IonicContact OE2-NZ 3.63Å; E209-V213 WeakPolarHBondContact O-CG2 3.42Å; E209-V213 PolarHBondContact O-N 2.86Å
210H90.6Very high91.7Very high113 Ų11372.2 Ų72.252%0.52337%0.365SS..Hα-helixtrans-61.9-45.7175.4-178-103.1000112.3S206 L207 F208 K212 V213 L214S206-H210 PolarHBondContact O-N 2.77Å; L207-H210 PolarHBondContact O-N 3.44Å; F208-H210 VanDerWaalsContact C-N 3.34Å; F208-H210 PolarHBondContact O-N 3.5Å; H210-K212 VanDerWaalsContact C-N 3.26Å; H210-K212 PolarHBondContact O-N 3.38Å; H210-V213 PolarHBondContact O-N 2.89Å; H210-L214 PolarHBondContact O-N 2.85Å
211H93.8Very high92.1Very high35 Ų3576.9 Ų76.916%0.16238%0.375CS..Hα-helixtrans-66.8-28.8176.3-82.9-68000112.9M115 L118 L119 L122 L207 F208 L214 D215M115-H211 HydrophobicContact SD-CB 3.86Å; M115-H211 PolarHBondContact SD-ND1 3.43Å; L118-H211 WeakPolarHBondContact CD2-CE1 3.47Å; L118-H211 WeakPolarHBondContact CD2-ND1 3.32Å; L119-H211 HydrophobicContact CD2-CB 3.71Å; L119-H211 HydrophobicContact CG-CB 4.23Å; L122-H211 HydrophobicContact CD1-CB 4.37Å; L207-H211 PolarHBondContact O-CD2 3.26Å; L207-H211 PolarHBondContact O-N 3.35Å; F208-H211 PolarHBondContact O-N 3.45Å; H211-L214 PolarHBondContact O-N 3.15Å; H211-D215 PolarHBondContact O-N 3.09Å
212K94.3Very high92.5Very high101 Ų10176.5 Ų76.544%0.43937%0.373SS..Hα-helixtrans-68.1-41.2175.6-174.9-178167.7-156.30111.5L119 F208 E209 H210 L214 D215 E216L119-K212 HydrophobicContact CD2-CB 4.14Å; F208-K212 HydrophobicContact CE1-CD 4.45Å; F208-K212 WeakPolarHBondContact O-CB 3.26Å; F208-K212 PolarHBondContact O-N 2.87Å; E209-K212 WeakPolarHBondContact O-CB 3.35Å; E209-K212 PolarHBondContact O-N 2.98Å; E209-K212 IonicContact OE1-NZ 3.57Å; E209-K212 PolarHBondContact OE1-NZ 2.93Å; E209-K212 IonicContact OE2-NZ 3.63Å; H210-K212 VanDerWaalsContact C-N 3.26Å; H210-K212 PolarHBondContact O-N 3.38Å; K212-L214 VanDerWaalsContact C-N 3.34Å; K212-D215 PolarHBondContact O-N 2.77Å; K212-E216 PolarHBondContact O-N 3.38Å; K212-E216 VanDerWaalsContact O-N 3.13Å
213V92.3Very high92.6Very high64 Ų6474.9 Ų74.939%0.38836%0.363SS..Hα-helixtrans-66-37172.6174.70000111.5E209 H210 E216 K217E209-V213 WeakPolarHBondContact O-CG2 3.42Å; E209-V213 PolarHBondContact O-N 2.86Å; H210-V213 PolarHBondContact O-N 2.89Å; V213-E216 PolarHBondContact O-N 3.48Å; V213-K217 WeakPolarHBondContact O-CG 3.4Å; V213-K217 PolarHBondContact O-N 3.28Å; V213-K217 VanDerWaalsContact O-N 3.09Å
214L90Very high92.8Very high53 Ų5376.2 Ų76.228%0.27736%0.364SS..Hα-helixtrans-65.1-42.6174.1-74.3172.9000112.1M115 H210 H211 K212 E216 K217 V218M115-L214 HydrophobicContact CE-CB 3.79Å; M115-L214 HydrophobicContact CE-CD1 4.26Å; M115-L214 HydrophobicContact SD-CB 4.25Å; H210-L214 PolarHBondContact O-N 2.85Å; H211-L214 PolarHBondContact O-N 3.15Å; K212-L214 VanDerWaalsContact C-N 3.34Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.91Å; L214-K217 PolarHBondContact O-N 3.27Å; L214-K217 VanDerWaalsContact O-N 3.15Å; L214-V218 WeakPolarHBondContact O-CG2 3.37Å; L214-V218 PolarHBondContact O-N 3.16Å
215D94.5Very high92.7Very high31 Ų3175.3 Ų75.317%0.16636%0.361CS..Hα-helixtrans-57.5-42.9174.7-171.463.8000111.4R112 M115 L119 H211 K212 K217 V218 H219R112-D215 WeakPolarHBondContact CG-OD1 3.34Å; M115-D215 HydrophobicContact CB-CB 4.49Å; M115-D215 HydrophobicContact CG-CB 3.62Å; L119-D215 HydrophobicContact CD1-CB 3.85Å; H211-D215 PolarHBondContact O-N 3.09Å; K212-D215 PolarHBondContact O-N 2.77Å; D215-K217 VanDerWaalsContact C-N 3.35Å; D215-K217 PolarHBondContact O-N 3.44Å; D215-V218 PolarHBondContact O-N 3.27Å; D215-H219 VanDerWaalsContact O-CB 3.29Å; D215-H219 WeakPolarHBondContact O-CB 3.37Å; D215-H219 PolarHBondContact O-N 2.88Å
216E93Very high92.7Very high119 Ų11973.2 Ų73.256%0.55635%0.352SS*.Hα-helixtrans-64.1-37.5176.8-167.6176.8178.600112.6K212 V213 L214 H219 N220K212-E216 PolarHBondContact O-N 3.38Å; K212-E216 VanDerWaalsContact O-N 3.13Å; V213-E216 PolarHBondContact O-N 3.48Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.91Å; E216-H219 PolarHBondContact O-N 3.33Å; E216-N220 WeakPolarHBondContact O-CB 3.42Å; E216-N220 PolarHBondContact O-N 3.4Å; E216-N220 PolarHBondContact O-ND2 3.13Å
217K92.4Very high92.8Very high130 Ų13073 Ų7357%0.56535%0.345SS*.Hα-helixtrans-66.8-44.5174.5-74.2179.1179.2-179.20112.5V213 L214 D215 H219 N220 R221V213-K217 WeakPolarHBondContact O-CG 3.4Å; V213-K217 PolarHBondContact O-N 3.28Å; V213-K217 VanDerWaalsContact O-N 3.09Å; L214-K217 PolarHBondContact O-N 3.27Å; L214-K217 VanDerWaalsContact O-N 3.15Å; D215-K217 VanDerWaalsContact C-N 3.35Å; D215-K217 PolarHBondContact O-N 3.44Å; K217-H219 VanDerWaalsContact C-N 3.3Å; K217-N220 PolarHBondContact O-N 3.03Å; K217-R221 PolarHBondContact O-N 3.39Å
218V94.8Very high92.8Very high9 Ų973.7 Ų73.76%0.05534%0.344CS..Hα-helixtrans-62.8-41.5175.4175.40000109.9L108 E111 R112 L214 D215 N220 R221 L222L108-V218 HydrophobicContact CD2-CG1 4.4Å; E111-V218 HydrophobicContact CB-CG1 4.25Å; E111-V218 HydrophobicContact CG-CG1 4.29Å; E111-V218 HydrophobicContact CG-CG2 4.2Å; R112-V218 HydrophobicContact CB-CG1 3.97Å; L214-V218 WeakPolarHBondContact O-CG2 3.37Å; L214-V218 PolarHBondContact O-N 3.16Å; D215-V218 PolarHBondContact O-N 3.27Å; V218-N220 PolarHBondContact O-N 3.33Å; V218-R221 PolarHBondContact O-N 3.06Å; V218-L222 WeakPolarHBondContact O-CB 3.44Å; V218-L222 PolarHBondContact O-N 3.38Å
219H92.4Very high92.6Very high73 Ų7372 Ų7234%0.33834%0.338SS..Hα-helixtrans-60.2-43.3175-177.259.7000112.5D215 E216 K217 L222 R223D215-H219 VanDerWaalsContact O-CB 3.29Å; D215-H219 WeakPolarHBondContact O-CB 3.37Å; D215-H219 PolarHBondContact O-N 2.88Å; E216-H219 PolarHBondContact O-N 3.33Å; K217-H219 VanDerWaalsContact C-N 3.3Å; H219-L222 PolarHBondContact O-N 3.3Å; H219-R223 PolarHBondContact O-N 3.06Å
220N93.1Very high92.4Very high65 Ų6570.6 Ų70.635%0.34834%0.336SS..Hα-helixtrans-65.6-41.6176.4-82.4-39.1000112.6E216 K217 V218 R223 V224E216-N220 WeakPolarHBondContact O-CB 3.42Å; E216-N220 PolarHBondContact O-N 3.4Å; E216-N220 PolarHBondContact O-ND2 3.13Å; K217-N220 PolarHBondContact O-N 3.03Å; V218-N220 PolarHBondContact O-N 3.33Å; N220-R223 PolarHBondContact O-N 3.42Å; N220-V224 WeakPolarHBondContact O-CG2 3.3Å; N220-V224 PolarHBondContact O-N 2.93Å
221R93.2Very high92.4Very high168 Ų16869.4 Ų69.463%0.63433%0.333SS*.Hα-helixtrans-59.1-49.4172.5-82.6-178148.2-169.8-8111.6L108 K217 V218 R223 V224 S225L108-R221 HydrophobicContact CD1-CB 4.18Å; L108-R221 HydrophobicContact CD2-CB 4.09Å; K217-R221 PolarHBondContact O-N 3.39Å; V218-R221 PolarHBondContact O-N 3.06Å; R221-R223 PolarHBondContact O-N 3.38Å; R221-V224 PolarHBondContact O-N 2.87Å; R221-S225 PolarHBondContact O-N 2.9Å; R221-S225 PolarHBondContact O-OG 3.19Å
222L94.1Very high92.2Very high7 Ų767.8 Ų67.84%0.03733%0.326CS..Hα-helixtrans-56.3-40.2177.2178.761.3000111.9I105 L108 K109 V218 H219 Q226I105-L222 HydrophobicContact CB-CD1 4.32Å; I105-L222 HydrophobicContact CG1-CD1 4.32Å; I105-L222 HydrophobicContact CG2-CD1 3.91Å; L108-L222 HydrophobicContact CB-CB 4.2Å; L108-L222 HydrophobicContact CB-CD1 3.94Å; K109-L222 HydrophobicContact CG-CD1 4.02Å; K109-L222 HydrophobicContact CG-CD2 4.09Å; V218-L222 WeakPolarHBondContact O-CB 3.44Å; V218-L222 PolarHBondContact O-N 3.38Å; H219-L222 PolarHBondContact O-N 3.3Å; L222-Q226 HydrophobicContact CD1-CG 4.35Å; L222-Q226 WeakPolarHBondContact O-CB 3.4Å; L222-Q226 VanDerWaalsContact O-CG 3.23Å; L222-Q226 WeakPolarHBondContact O-CG 3.42Å; L222-Q226 PolarHBondContact O-N 2.97Å
223R92.7Very high91.9Very high128 Ų12867.6 Ų67.648%0.48333%0.326SS..Hα-helixtrans-65-41.7176-171.5178.970.797.20.6112.2H219 N220 R221 N227H219-R223 PolarHBondContact O-N 3.06Å; N220-R223 PolarHBondContact O-N 3.42Å; R221-R223 PolarHBondContact O-N 3.38Å; R223-N227 VanDerWaalsContact O-CG 3.27Å; R223-N227 PolarHBondContact O-N 3.41Å; R223-N227 PolarHBondContact O-ND2 2.86Å
224V92.8Very high91.7Very high89 Ų8969.4 Ų69.454%0.53933%0.334SS..Hα-helixtrans-64.8-46.5177.3172.30000110.8N220 R221 Q226 N227 K228N220-V224 WeakPolarHBondContact O-CG2 3.3Å; N220-V224 PolarHBondContact O-N 2.93Å; R221-V224 PolarHBondContact O-N 2.87Å; V224-Q226 PolarHBondContact O-N 3.29Å; V224-N227 PolarHBondContact O-N 3.46Å; V224-K228 PolarHBondContact O-N 2.98Å
225S91.8Very high91.7Very high8 Ų871.4 Ų71.46%0.05634%0.342CS..Hα-helixtrans-66.3-38.1179.3-47.50000111.5E104 R221 K228 V229E104-S225 PolarHBondContact OE1-OG 3.37Å; R221-S225 PolarHBondContact O-N 2.9Å; R221-S225 PolarHBondContact O-OG 3.19Å; S225-K228 PolarHBondContact O-N 3.04Å; S225-V229 PolarHBondContact O-N 2.99Å
226Q93.2Very high91.3Very high48 Ų4870.9 Ų70.922%0.22434%0.339CS..Hα-helixtrans-60.1-44.5172-79.3174.1-5.900112.8I105 L222 V224 K228 V229 T230I105-Q226 HydrophobicContact CD1-CB 4.4Å; I105-Q226 HydrophobicContact CD1-CG 3.82Å; I105-Q226 HydrophobicContact CG1-CG 4.21Å; L222-Q226 HydrophobicContact CD1-CG 4.35Å; L222-Q226 WeakPolarHBondContact O-CB 3.4Å; L222-Q226 VanDerWaalsContact O-CG 3.23Å; L222-Q226 WeakPolarHBondContact O-CG 3.42Å; L222-Q226 PolarHBondContact O-N 2.97Å; V224-Q226 PolarHBondContact O-N 3.29Å; Q226-K228 VanDerWaalsContact C-N 3.33Å; Q226-K228 PolarHBondContact O-N 3.38Å; Q226-V229 PolarHBondContact O-N 3.45Å; Q226-T230 PolarHBondContact O-N 2.84Å; Q226-T230 VanDerWaalsContact O-N 3.12Å
227N91.7Very high90.8Very high77 Ų7771.6 Ų71.641%0.41234%0.34SS..Hα-helixtrans-63.9-40.2176-70.4-14.7000111.4R223 V224 V229 T230 D231R223-N227 VanDerWaalsContact O-CG 3.27Å; R223-N227 PolarHBondContact O-N 3.41Å; R223-N227 PolarHBondContact O-ND2 2.86Å; V224-N227 PolarHBondContact O-N 3.46Å; N227-V229 VanDerWaalsContact C-N 3.34Å; N227-V229 PolarHBondContact O-N 2.82Å; N227-T230 WeakPolarHBondContact CA-OG1 3.4Å; N227-T230 PolarHBondContact O-N 3.3Å; N227-T230 VanDerWaalsContact O-N 3.13Å; N227-T230 PolarHBondContact O-OG1 3.33Å; N227-D231 PolarHBondContact O-N 3.28Å
228K90.6Very high90.4Very high90 Ų9070.1 Ų70.139%0.39134%0.335SS..Hα-helixtrans-64.5-37.5177.9-174.557.4178.6168.60112.4R101 V224 S225 Q226 D231 L232R101-K228 HydrophobicContact CG-CG 4.45Å; V224-K228 PolarHBondContact O-N 2.98Å; S225-K228 PolarHBondContact O-N 3.04Å; Q226-K228 VanDerWaalsContact C-N 3.33Å; Q226-K228 PolarHBondContact O-N 3.38Å; K228-D231 PolarHBondContact O-N 2.91Å; K228-L232 HydrophobicContact CG-CD1 4.39Å; K228-L232 WeakPolarHBondContact O-CG 3.47Å; K228-L232 PolarHBondContact O-N 3.45Å
229V91.6Very high89.7Confident12 Ų1270.8 Ų70.87%0.07334%0.339CS..Hα-helixtrans-58.8-47.1170.7162.80000110.5L98 R101 I105 S225 Q226 N227 D231 L232 E233L98-V229 HydrophobicContact CD1-CB 4.32Å; L98-V229 HydrophobicContact CD1-CG1 3.79Å; L98-V229 HydrophobicContact CD1-CG2 4.35Å; R101-V229 HydrophobicContact CB-CG2 3.53Å; I105-V229 HydrophobicContact CD1-CB 4.14Å; I105-V229 HydrophobicContact CD1-CG2 3.5Å; S225-V229 PolarHBondContact O-N 2.99Å; Q226-V229 PolarHBondContact O-N 3.45Å; N227-V229 VanDerWaalsContact C-N 3.34Å; N227-V229 PolarHBondContact O-N 2.82Å; V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.27Å; V229-L232 PolarHBondContact O-N 2.67Å; V229-E233 HydrophobicContact CG1-CG 4.31Å; V229-E233 WeakPolarHBondContact O-CG 3.24Å; V229-E233 PolarHBondContact O-N 3.29Å
230T88.5Confident89.2Confident62 Ų6271.6 Ų71.638%0.3834%0.341SS..Hα-helixtrans-62.4-34.2177.7590000113Q226 N227 N234Q226-T230 PolarHBondContact O-N 2.84Å; Q226-T230 VanDerWaalsContact O-N 3.12Å; N227-T230 WeakPolarHBondContact CA-OG1 3.4Å; N227-T230 PolarHBondContact O-N 3.3Å; N227-T230 VanDerWaalsContact O-N 3.13Å; N227-T230 PolarHBondContact O-OG1 3.33Å; T230-N234 VanDerWaalsContact O-CG 3.22Å; T230-N234 PolarHBondContact O-N 3.13Å; T230-N234 VanDerWaalsContact O-N 3.15Å; T230-N234 PolarHBondContact O-ND2 2.78Å
231D90.6Very high88.5Confident89 Ų8975 Ų7548%0.47635%0.349SS..Hα-helixtrans-67.4-44.3174.7-65.6-25.9000111.6N227 K228 V229 N234 E235N227-D231 PolarHBondContact O-N 3.28Å; K228-D231 PolarHBondContact O-N 2.91Å; V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.27Å; D231-N234 PolarHBondContact O-N 2.76Å; D231-E235 PolarHBondContact O-N 3.28Å
232L89.6Confident87.7Confident0 Ų069 Ų690%033%0.333CS..Hα-helixtrans-66.5-36.3177.4-70.8172.6000112.2V94 Q97 L98 R101 K228 V229 N234 E235 L236V94-L232 HydrophobicContact CG1-CD2 4.34Å; Q97-L232 HydrophobicContact CB-CD1 4.01Å; Q97-L232 HydrophobicContact CB-CD2 4.4Å; L98-L232 HydrophobicContact CD1-CB 3.99Å; R101-L232 HydrophobicContact CG-CD1 3.87Å; K228-L232 HydrophobicContact CG-CD1 4.39Å; K228-L232 WeakPolarHBondContact O-CG 3.47Å; K228-L232 PolarHBondContact O-N 3.45Å; V229-L232 PolarHBondContact O-N 2.67Å; L232-N234 VanDerWaalsContact C-N 3.34Å; L232-E235 PolarHBondContact O-N 2.86Å; L232-L236 VanDerWaalsContact O-CB 3.26Å; L232-L236 WeakPolarHBondContact O-CB 3.37Å; L232-L236 PolarHBondContact O-N 3.46Å
233E87.9Confident86.5Confident98 Ų9872 Ų7246%0.45835%0.346SS..Hα-helixtrans-63.1-40.9173.5-73.5178.2151.900111.7L98 V229 L236 F237L98-E233 HydrophobicContact CD1-CG 3.79Å; L98-E233 HydrophobicContact CD2-CG 4.22Å; V229-E233 HydrophobicContact CG1-CG 4.31Å; V229-E233 WeakPolarHBondContact O-CG 3.24Å; V229-E233 PolarHBondContact O-N 3.29Å; E233-L236 PolarHBondContact O-N 2.82Å; E233-F237 WeakPolarHBondContact O-CB 3.32Å; E233-F237 PolarHBondContact O-N 3.25Å
234N87.6Confident85.3Confident102 Ų10271 Ų7155%0.54535%0.349SS..Hα-helixtrans-66.7-42175.1-69.5-38.1000111.5T230 D231 L232 F237 E238T230-N234 VanDerWaalsContact O-CG 3.22Å; T230-N234 PolarHBondContact O-N 3.13Å; T230-N234 VanDerWaalsContact O-N 3.15Å; T230-N234 PolarHBondContact O-ND2 2.78Å; D231-N234 PolarHBondContact O-N 2.76Å; L232-N234 VanDerWaalsContact C-N 3.34Å; N234-F237 WeakPolarHBondContact O-CB 3.49Å; N234-F237 PolarHBondContact O-N 3.08Å; N234-E238 PolarHBondContact O-N 3.03Å
235E89.5Confident83.9Confident94 Ų9471.2 Ų71.244%0.43935%0.347SS..Hα-helixtrans-62.2-44174.9-174.5173.6178.400111.5V94 D231 L232 F237 E238 L239V94-E235 HydrophobicContact CG2-CG 4.28Å; D231-E235 PolarHBondContact O-N 3.28Å; L232-E235 PolarHBondContact O-N 2.86Å; E235-F237 VanDerWaalsContact C-N 3.29Å; E235-F237 PolarHBondContact O-N 3.29Å; E235-E238 PolarHBondContact O-N 3.04Å; E235-L239 HydrophobicContact CG-CD1 4.27Å; E235-L239 WeakPolarHBondContact O-CB 3.48Å; E235-L239 WeakPolarHBondContact O-CG 3.41Å; E235-L239 PolarHBondContact O-N 3.49Å
236L86Confident82.2Confident20 Ų2072.5 Ų72.511%0.10536%0.356CS..Hα-helixtrans-59.8-41.4174.7-170.476.2000111.4L91 V94 E95 L98 L232 E233 L239 K240L91-L236 HydrophobicContact CD1-CD1 3.49Å; L91-L236 VanDerWaalsContact CD1-CD1 3.49Å; L91-L236 HydrophobicContact CD1-CG 4.3Å; L91-L236 HydrophobicContact CG-CD1 4.25Å; V94-L236 HydrophobicContact CB-CD1 4.28Å; V94-L236 HydrophobicContact CG1-CB 3.94Å; V94-L236 HydrophobicContact CG1-CD1 3.95Å; E95-L236 HydrophobicContact CG-CD1 3.4Å; E95-L236 VanDerWaalsContact CG-CD1 3.4Å; E95-L236 HydrophobicContact CG-CD2 4.28Å; E95-L236 HydrophobicContact CG-CG 4.49Å; L98-L236 HydrophobicContact CD2-CD2 4.34Å; L232-L236 VanDerWaalsContact O-CB 3.26Å; L232-L236 WeakPolarHBondContact O-CB 3.37Å; L232-L236 PolarHBondContact O-N 3.46Å; E233-L236 PolarHBondContact O-N 2.82Å; L236-L239 PolarHBondContact O-N 3.2Å; L236-K240 HydrophobicContact CG-CD 4.32Å; L236-K240 WeakPolarHBondContact O-CB 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.41Å; L236-K240 PolarHBondContact O-N 2.94Å
237F83.5Confident80.2Confident135 Ų13573.8 Ų73.859%0.59237%0.37SS*.Hα-helixtrans-63-45.5177.4-176.1-96.5000111.7E233 N234 E235 K240 R241E233-F237 WeakPolarHBondContact O-CB 3.32Å; E233-F237 PolarHBondContact O-N 3.25Å; N234-F237 WeakPolarHBondContact O-CB 3.49Å; N234-F237 PolarHBondContact O-N 3.08Å; E235-F237 VanDerWaalsContact C-N 3.29Å; E235-F237 PolarHBondContact O-N 3.29Å; F237-K240 PolarHBondContact O-N 3.37Å; F237-R241 WeakPolarHBondContact O-CB 3.45Å; F237-R241 PolarHBondContact O-N 3.35Å
238E83.8Confident77.9Confident98 Ų9873.7 Ų73.746%0.45838%0.376SS..Hα-helixtrans-67.7-36.5176.6-70.3-59149.300112.6N234 E235 R241 S242N234-E238 PolarHBondContact O-N 3.03Å; E235-E238 PolarHBondContact O-N 3.04Å; E238-R241 PolarHBondContact O-N 2.94Å; E238-R241 IonicContact OE1-NH1 3.61Å; E238-R241 IonicContact OE2-NH1 3.39Å; E238-S242 WeakPolarHBondContact O-CB 3.43Å; E238-S242 PolarHBondContact O-N 3.03Å; E238-S242 PolarHBondContact O-OG 3.31Å
239L80.4Confident75.6Confident24 Ų2474.7 Ų74.713%0.12639%0.39CS..Hα-helixtrans-65.2-41.3172.6-75.6172.7000112.3M87 K90 L91 V94 E235 L236 S242 K243M87-L239 HydrophobicContact CE-CD2 3.57Å; M87-L239 HydrophobicContact SD-CD2 4.35Å; K90-L239 HydrophobicContact CB-CD1 4.39Å; K90-L239 HydrophobicContact CB-CD2 4.41Å; L91-L239 HydrophobicContact CD1-CB 4Å; V94-L239 HydrophobicContact CB-CD1 4.28Å; V94-L239 HydrophobicContact CG2-CD1 3.71Å; E235-L239 HydrophobicContact CG-CD1 4.27Å; E235-L239 WeakPolarHBondContact O-CB 3.48Å; E235-L239 WeakPolarHBondContact O-CG 3.41Å; E235-L239 PolarHBondContact O-N 3.49Å; L236-L239 PolarHBondContact O-N 3.2Å; L239-S242 VanDerWaalsContact CA-OG 3.29Å; L239-S242 WeakPolarHBondContact CA-OG 3.48Å; L239-S242 PolarHBondContact O-OG 2.97Å; L239-K243 WeakPolarHBondContact O-CB 3.43Å; L239-K243 PolarHBondContact O-N 3.01Å
240K81.2Confident73.3Confident89 Ų8978 Ų7839%0.38742%0.419SS..Hα-helixtrans-65.5-41.8174.8-75.1-178.9-178.3177.60111.2L91 E95 L236 F237 K243 I244L91-K240 HydrophobicContact CD1-CD 4.38Å; L91-K240 HydrophobicContact CD1-CG 3.59Å; L91-K240 HydrophobicContact CD2-CG 4.45Å; E95-K240 WeakPolarHBondContact OE1-CE 3.27Å; E95-K240 IonicContact OE1-NZ 2.64Å; E95-K240 PolarHBondContact OE1-NZ 2.9Å; L236-K240 HydrophobicContact CG-CD 4.32Å; L236-K240 WeakPolarHBondContact O-CB 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.41Å; L236-K240 PolarHBondContact O-N 2.94Å; F237-K240 PolarHBondContact O-N 3.37Å; K240-K243 PolarHBondContact O-N 3.45Å; K240-I244 WeakPolarHBondContact O-CG1 3.32Å; K240-I244 PolarHBondContact O-N 3.29Å
241R78.3Confident70.7Confident136 Ų13682.2 Ų82.251%0.51344%0.438SS..Hα-helixtrans-64.5-44.6177.5-174.1-179.6177.6-150.50.5112.2F237 E238 I244 N245F237-R241 WeakPolarHBondContact O-CB 3.45Å; F237-R241 PolarHBondContact O-N 3.35Å; E238-R241 PolarHBondContact O-N 2.94Å; E238-R241 IonicContact OE1-NH1 3.61Å; E238-R241 IonicContact OE2-NH1 3.39Å; R241-I244 PolarHBondContact O-N 2.93Å; R241-N245 PolarHBondContact O-N 2.9Å
242S75.5Confident68Low44 Ų4485 Ų8531%0.30845%0.452SS..Hα-helixtrans-64.1-40176.948.50000112.1M87 E238 L239 I244 N245 S246M87-S242 WeakPolarHBondContact CE-OG 3.4Å; E238-S242 WeakPolarHBondContact O-CB 3.43Å; E238-S242 PolarHBondContact O-N 3.03Å; E238-S242 PolarHBondContact O-OG 3.31Å; L239-S242 VanDerWaalsContact CA-OG 3.29Å; L239-S242 WeakPolarHBondContact CA-OG 3.48Å; L239-S242 PolarHBondContact O-OG 2.97Å; S242-I244 VanDerWaalsContact C-N 3.3Å; S242-I244 PolarHBondContact O-N 3.42Å; S242-N245 PolarHBondContact O-N 3.3Å; S242-N245 VanDerWaalsContact O-N 3.11Å; S242-S246 PolarHBondContact O-N 3.48Å; S242-S246 PolarHBondContact O-OG 3.46Å
243K70.5Confident65.1Low70 Ų7090.4 Ų90.430%0.30449%0.489SS..Hα-helixtrans-56.8-40.1173.7-172.8169.4178.91680112.9S88 L239 K240 S246 S247S88-K243 PolarHBondContact OG-NZ 3.48Å; L239-K243 WeakPolarHBondContact O-CB 3.43Å; L239-K243 PolarHBondContact O-N 3.01Å; K240-K243 PolarHBondContact O-N 3.45Å; K243-S246 WeakPolarHBondContact CA-OG 3.5Å; K243-S246 PolarHBondContact O-OG 3.42Å; K243-S247 PolarHBondContact O-N 2.81Å
244I66.8Low62.3Low106 Ų10693.5 Ų93.554%0.54451%0.508SS..Hα-helixtrans-66.5-42.2176.2-65.3166.1000111K240 R241 S242 S246 S247 S248K240-I244 WeakPolarHBondContact O-CG1 3.32Å; K240-I244 PolarHBondContact O-N 3.29Å; R241-I244 PolarHBondContact O-N 2.93Å; S242-I244 VanDerWaalsContact C-N 3.3Å; S242-I244 PolarHBondContact O-N 3.42Å; I244-S246 PolarHBondContact O-N 3.41Å; I244-S247 PolarHBondContact O-N 2.94Å; I244-S247 PolarHBondContact O-OG 2.98Å; I244-S248 PolarHBondContact O-N 3.45Å; I244-S248 PolarHBondContact O-OG 2.83Å
245N62.4Low59.5Low93 Ų9395.7 Ų95.750%0.49752%0.52SS..Hα-helixtrans-65.9-38.8-179.5-70.1-15.3000112.7R241 S242 S247 S248 T249R241-N245 PolarHBondContact O-N 2.9Å; S242-N245 PolarHBondContact O-N 3.3Å; S242-N245 VanDerWaalsContact O-N 3.11Å; N245-S247 VanDerWaalsContact C-N 3.32Å; N245-S247 PolarHBondContact O-N 3.36Å; N245-S248 PolarHBondContact O-N 3.5Å; N245-T249 PolarHBondContact O-N 3.32Å; N245-T249 PolarHBondContact O-OG1 3.17Å
246S57.8Low56.7Low36 Ų3698 Ų9825%0.25254%0.535SS..Hα-helixtrans-64.6-33.6173.334.60000112.7S242 K243 I244 S248 T249S242-S246 PolarHBondContact O-N 3.48Å; S242-S246 PolarHBondContact O-OG 3.46Å; K243-S246 WeakPolarHBondContact CA-OG 3.5Å; K243-S246 PolarHBondContact O-OG 3.42Å; I244-S246 PolarHBondContact O-N 3.41Å; S246-S248 VanDerWaalsContact C-N 3.33Å; S246-S248 PolarHBondContact O-N 2.97Å; S246-T249 PolarHBondContact O-OG1 3.38Å
247S49.5Very low54Low74 Ų74103.7 Ų103.752%0.51757%0.566SS.*Hα-helixtrans-71.7-25.8176.571.80000113.6K243 I244 N245K243-S247 PolarHBondContact O-N 2.81Å; I244-S247 PolarHBondContact O-N 2.94Å; I244-S247 PolarHBondContact O-OG 2.98Å; N245-S247 VanDerWaalsContact C-N 3.32Å; N245-S247 PolarHBondContact O-N 3.36Å
248S45.2Very low51.3Low75 Ų75103.6 Ų103.652%0.52457%0.57SS.*Hα-helixtrans-83.5-20.4-177.6-63.20000113.7I244 N245 S246I244-S248 PolarHBondContact O-N 3.45Å; I244-S248 PolarHBondContact O-OG 2.83Å; N245-S248 PolarHBondContact O-N 3.5Å; S246-S248 VanDerWaalsContact C-N 3.33Å; S246-S248 PolarHBondContact O-N 2.97Å
249T41.4Very low48.6Very low112 Ų112106.7 Ų106.769%0.68758%0.584SS**G310 helixtrans-81.4-13.2-179.234.30000113.8N245 S246 N251N245-T249 PolarHBondContact O-N 3.32Å; N245-T249 PolarHBondContact O-OG1 3.17Å; S246-T249 PolarHBondContact O-OG1 3.38Å; T249-N251 VanDerWaalsContact C-N 3.29Å; T249-N251 PolarHBondContact O-N 3.44Å
250A42.2Very low46Very low82 Ų82116.4 Ų116.468%0.67862%0.619SS**G310 helixtrans-77.1-6.1177.900000115
251N35.6Very low43.4Very low149 Ų149117.7 Ų117.780%0.79764%0.635SS**G310 helixtrans-106.414.4-174.4-82.6-14.2000115.7T249T249-N251 VanDerWaalsContact C-N 3.29Å; T249-N251 PolarHBondContact O-N 3.44Å
252I32.3Very low40.9Very low148 Ų148118.5 Ų118.576%0.75965%0.646SS**SBendtrans-123.780.6172.2-53.6176.4000109
253C28.9Very low38.7Very low114 Ų114123.4 Ų123.477%0.7767%0.667SS**SBendtrans173.293.6149.8-100.20000110
254N30.7Very low36.5Very low163 Ų163125 Ų12587%0.87269%0.687SS**  trans166.385.9131.9-88.6-12.6000109.6
255D27.3Very low34.8Very low148 Ų148124.2 Ų124.279%0.79169%0.691SS**  trans-64.2149.6152.4-94.6-40.5000110.1
256N31.4Very low33Very low141 Ų141128.9 Ų128.975%0.75471%0.71SS**  trans93.283.1168.4-46.5-48000117.1
257N29.3Very low31.7Very low140 Ų140133.3 Ų133.375%0.74974%0.736SS**  165116.2102.7-91.5-27000113.7
258I27.1Very low30.6Very low133 Ų133138.2 Ų138.268%0.68275%0.751SS**  80.8118.5125.8-60.3174000119.9
259H27.4Very low29.9Very low163 Ų163140.9 Ų140.976%0.75576%0.763SS**  trans6885.6155.3-68.4-54.5000120.9T261H259-T261 PolarHBondContact O-N 3.14Å; H259-T261 PolarHBondContact O-OG1 3.23Å
260R24.4Very low29.2Very low229 Ų229142.6 Ų142.686%0.86477%0.768SS**  trans-32.7101.4131.6-178-177.2-124-174.61.2111.4
261T27.9Very low28.6Very low116 Ų116147.5 Ų147.571%0.71277%0.774SS**  trans-112.7106.1164-26.10000106.7H259 I263H259-T261 PolarHBondContact O-N 3.14Å; H259-T261 PolarHBondContact O-OG1 3.23Å; T261-I263 PolarHBondContact O-N 3.49Å
262M24.6Very low28.2Very low152 Ų152147.5 Ų147.575%0.74977%0.774SS**  trans-63112.1171.9-66.1-93.6-77.900107.8S264M262-S264 PolarHBondContact O-N 2.92Å
263I29.5Very low28Very low148 Ų148148.7 Ų148.776%0.75977%0.774SS**  trans-95.284.4165.9-61.3175.1000106.4T261T261-I263 PolarHBondContact O-N 3.49Å
264S26Very low27.9Very low102 Ų102150.9 Ų150.971%0.71378%0.776SS**  trans-71114.5151.1-63.20000106.6M262M262-S264 PolarHBondContact O-N 2.92Å
265S29.5Very low27.7Very low91 Ų91150.7 Ų150.764%0.63677%0.768SS**  trans-115.680.5167.4390000108.5T267S265-T267 PolarHBondContact O-N 3.47Å
266E24.4Very low27.7Very low190 Ų190150 Ų15089%0.88877%0.765SS**  trans-60106.3148.7-80.6171.8143.200106.8Q268E266-Q268 PolarHBondContact O-N 2.94Å
267T31.1Very low27.6Very low129 Ų129149.4 Ų149.479%0.79177%0.765SS**  trans-94.394.2165.430.90000107.6S265 V269S265-T267 PolarHBondContact O-N 3.47Å; T267-V269 PolarHBondContact O-N 3.39Å
268Q26.1Very low27.4Very low178 Ų178149.7 Ų149.783%0.83277%0.767SS**  trans-48.7123.2167.7-157.6167.911.900109.3E266 D270E266-Q268 PolarHBondContact O-N 2.94Å; Q268-D270 PolarHBondContact O-N 2.96Å
269V30.3Very low27.5Very low131 Ų131149 Ų14979%0.79477%0.769SS**  trans-69.692.7177.5-179.90000107.8T267 K271T267-V269 PolarHBondContact O-N 3.39Å; V269-K271 PolarHBondContact O-N 3.21Å; V269-K271 VanDerWaalsContact O-N 3.1Å
270D27.3Very low27.4Very low147 Ų147146.7 Ų146.779%0.78676%0.763SS**  trans-70.5102.5173.9-112.3-15.7000109.2Q268 D272Q268-D270 PolarHBondContact O-N 2.96Å; D270-D272 PolarHBondContact O-N 3.33Å
271K30Very low27.6Very low185 Ų185143.8 Ų143.880%0.80476%0.762SS**  trans-74.689.1164.6-73.6178175.31770107.7V269V269-K271 PolarHBondContact O-N 3.21Å; V269-K271 VanDerWaalsContact O-N 3.1Å
272D27.6Very low27.4Very low149 Ų149145.1 Ų145.180%0.79776%0.758SS**  trans-163.480.7160.8-91.1-28.2000110.3D270D270-D272 PolarHBondContact O-N 3.33Å
273F27.9Very low27.5Very low174 Ų174144.8 Ų144.876%0.76376%0.759SS**  trans-149.161.3151.9-136.5-94.5000110.4K275F273-K275 HydrophobicContact CD1-CB 4.41Å; F273-K275 HydrophobicContact CE1-CB 4.18Å; F273-K275 HydrophobicContact CE1-CD 3.93Å; F273-K275 HydrophobicContact CE1-CG 4.29Å; F273-K275 HydrophobicContact CE2-CD 4.5Å; F273-K275 HydrophobicContact CZ-CD 3.81Å
274I25.8Very low27.2Very low159 Ų159144.2 Ų144.282%0.81576%0.758SS**  trans-86.4102.3151.9-61.7176.9000104.8
275K27.5Very low27.7Very low159 Ų159144.7 Ų144.769%0.69176%0.758SS**  trans-116.3110.9163-94.7-173.2179.3175.50108.4F273 V277F273-K275 HydrophobicContact CD1-CB 4.41Å; F273-K275 HydrophobicContact CE1-CB 4.18Å; F273-K275 HydrophobicContact CE1-CD 3.93Å; F273-K275 HydrophobicContact CE1-CG 4.29Å; F273-K275 HydrophobicContact CE2-CD 4.5Å; F273-K275 HydrophobicContact CZ-CD 3.81Å; K275-V277 PolarHBondContact O-N 3.46Å
276D26.6Very low27.5Very low135 Ų135146.2 Ų146.272%0.72276%0.76SS**  trans-38.2123.6165.5-55.8-57.2000112
277V29.9Very low27.6Very low127 Ų127146 Ų14677%0.7776%0.759SS**  trans-123.183.8148.7-179.20000106.2K275 T279K275-V277 PolarHBondContact O-N 3.46Å; V277-T279 PolarHBondContact O-N 3.07Å
278D24.8Very low27.3Very low146 Ų146146.7 Ų146.778%0.78176%0.756SS**  trans-56.2116.2152-86.1-40.5000108.9
279T29.6Very low27.1Very low119 Ų119146.4 Ų146.473%0.7376%0.755SS**  trans-137.891.3146.840.90000109V277 I281V277-T279 PolarHBondContact O-N 3.07Å; T279-I281 PolarHBondContact O-N 2.79Å
280D24.3Very low26.8Very low115 Ų115148.5 Ų148.562%0.61575%0.753SS**  trans-29.5110.1149.6-94.8-29.1000111.9K282D280-K282 IonicContact OD1-NZ 3.75Å; D280-K282 PolarHBondContact OD1-NZ 3.43Å; D280-K282 IonicContact OD2-NZ 3.43Å; D280-K282 PolarHBondContact OD2-NZ 3.18Å
281I28.2Very low26.6Very low167 Ų167149.9 Ų149.986%0.85676%0.76SS**  trans-120.683.4145.3-59.4-177.7000106.9T279T279-I281 PolarHBondContact O-N 2.79Å
282K25.1Very low26.3Very low145 Ų145145.7 Ų145.763%0.6375%0.754SS**  trans-57.8129.1164.8-79.3166.1174.9125.30110.1D280D280-K282 IonicContact OD1-NZ 3.75Å; D280-K282 PolarHBondContact OD1-NZ 3.43Å; D280-K282 IonicContact OD2-NZ 3.43Å; D280-K282 PolarHBondContact OD2-NZ 3.18Å
283N25.2Very low26Very low144 Ų144146 Ų14677%0.7775%0.754SS**  trans30.6111.3133-59.3-24.2000117
284N24.4Very low25.9Very low136 Ų136147.9 Ų147.973%0.72776%0.762SS**  -153.590.6127.9-149.916.1000112.1D286N284-D286 VanDerWaalsContact C-N 3.29Å; N284-D286 PolarHBondContact O-N 3.33Å
285P36Very low25.7Very low112 Ų112147.6 Ų147.673%0.72776%0.757SS**  trans-82.181161.434.1-25.4000107.5
286D26.1Very low25.5Very low124 Ų124145.9 Ų145.966%0.66376%0.761SS**  trans-156.978.7171.6-93.8-33.7000110.4N284N284-D286 VanDerWaalsContact C-N 3.29Å; N284-D286 PolarHBondContact O-N 3.33Å
287Q25.6Very low25.5Very low186 Ų186144.5 Ų144.587%0.86977%0.768SS**  trans-129.289.6144.7-81.7-170.835.600109.4
288I24.1Very low25.2Very low143 Ų143143.3 Ų143.373%0.73377%0.765SS**  51.391.9121-57.4168.1000113.1
289Q23.3Very low25.1Very low172 Ų172144.5 Ų144.580%0.80477%0.77SS**  54.7119.5101.8-93.3179.414.200114.9
290K23.7Very low25.2Very low175 Ų175144.2 Ų144.276%0.76177%0.77SS**  87.584.7129.9-158-177.9-169.2-178.80116.6
291L23.6Very low25.1Very low176 Ų176148.8 Ų148.892%0.92179%0.785SS**  trans-130.569137.6-68.4174000107.2
292S22.6Very low25Very low97 Ų97144.2 Ų144.268%0.67878%0.779SS**  42.293.6103.4-164.40000112.7K294S292-K294 PolarHBondContact O-N 3.32Å
293L22Very low24.9Very low154 Ų154142.5 Ų142.581%0.80679%0.785SS**  trans-17.7119.6146.9-73.9135.1000112.4
294K25.4Very low24.9Very low214 Ų214141.5 Ų141.593%0.9378%0.784SS**  trans-110.481.8153.4-134.9178.3-173.7-178.90107.2S292S292-K294 PolarHBondContact O-N 3.32Å
295E22.7Very low24.8Very low153 Ų153143.4 Ų143.472%0.71579%0.789SS**  trans-57161.3160.6-159.4171.5-159.800110.1
296T23.3Very low24.2Very low124 Ų124145.2 Ų145.276%0.76179%0.791SS**  trans92.295.2163.374.70000118.5
297A25.8Very low24.1Very low106 Ų106143.8 Ų143.888%0.87679%0.79SS**  trans-153.970.6131.900000109.4
298S22.6Very low23.9Very low101 Ų101142.7 Ų142.771%0.70678%0.783SS**  trans-55136.115950.20000111.2
299L23.1Very low23.9Very low171 Ų171141.1 Ų141.190%0.89579%0.785SS**  trans-163.7151.9148.8-120.291.8000108.7
300P32.6Very low23.9Very low113 Ų113138.4 Ų138.473%0.73478%0.784SS**  -114.8136.7-106.932.4-18.9000113.1G302P300-G302 PolarHBondContact O-N 2.91Å
301K21.9Very low24Very low211 Ų211138.5 Ų138.592%0.91779%0.788SS**  trans-7996.7159.5-75.3-178.7177.1179.20107.8S303K301-S303 PolarHBondContact O-N 3.3Å
302G25Very low24Very low71 Ų71137.6 Ų137.673%0.73278%0.783SS**  trans-7297.6168.500000109.9P300 V304P300-G302 PolarHBondContact O-N 2.91Å; G302-V304 PolarHBondContact O-N 2.87Å
303S23Very low24Very low109 Ų109141.7 Ų141.776%0.76280%0.796SS**  trans-67.6108.3157.326.90000108.3K301K301-S303 PolarHBondContact O-N 3.3Å
304V25.1Very low24.1Very low123 Ų123139 Ų13975%0.74579%0.79SS**  trans-94.190.6160.9179.70000106.2G302 I306G302-V304 PolarHBondContact O-N 2.87Å; V304-I306 HydrophobicContact CG1-CD1 4.25Å; V304-I306 HydrophobicContact CG1-CG1 3.81Å; V304-I306 PolarHBondContact O-N 3.28Å
305E22.4Very low24.1Very low177 Ų177133.7 Ų133.783%0.82778%0.78SS**  trans-57.7116.2156.9-73176150.200107.8
306I24.5Very low24.1Very low149 Ų149131.7 Ų131.776%0.76478%0.783SS**  trans-108.7102.4159.1-57.5-176.5000105.9V304 K308V304-I306 HydrophobicContact CG1-CD1 4.25Å; V304-I306 HydrophobicContact CG1-CG1 3.81Å; V304-I306 PolarHBondContact O-N 3.28Å; I306-K308 PolarHBondContact O-N 3.48Å
307S23.8Very low24.4Very low94 Ų94130.7 Ų130.766%0.65778%0.779SS**  trans-40.9119.8171.1-480000110.9S309S307-S309 VanDerWaalsContact C-N 3.28Å; S307-S309 PolarHBondContact O-N 3.18Å
308K21.7Very low24.4Very low163 Ų163131.5 Ų131.571%0.70977%0.772SS**  trans-64.194.9159.4-77.3179.1177.8175.40106.4I306 S310 E782I306-K308 PolarHBondContact O-N 3.48Å; K308-S310 VanDerWaalsContact C-N 3.3Å; K308-S310 PolarHBondContact O-N 2.81Å; K308-E782 IonicContact NZ-OE1 3.21Å; K308-E782 PolarHBondContact NZ-OE1 3.11Å; K308-E782 IonicContact NZ-OE2 3.77Å
309S24.4Very low24.7Very low111 Ų111134.4 Ų134.478%0.77678%0.779SS**  trans-68.489.5170.3-52.50000109S307 E311S307-S309 VanDerWaalsContact C-N 3.28Å; S307-S309 PolarHBondContact O-N 3.18Å; S309-E311 PolarHBondContact O-N 2.82Å
310S22.5Very low24.8Very low114 Ų114133.6 Ų133.680%0.79778%0.776SS**  trans-73.592.1159.9-54.90000108.4K308K308-S310 VanDerWaalsContact C-N 3.3Å; K308-S310 PolarHBondContact O-N 2.81Å
311E25.3Very low24.6Very low178 Ų178132.7 Ų132.783%0.83278%0.778SS**  trans-126.697.7162.6-80.4-169.7171.800110.5S309S309-E311 PolarHBondContact O-N 2.82Å
312L25.1Very low24.9Very low156 Ų156128.2 Ų128.282%0.81777%0.773SS**  trans4399.5134.2-66.2164.6000117.6S314L312-S314 PolarHBondContact O-N 3.25Å
313L22Very low25Very low184 Ų184133.4 Ų133.496%0.96378%0.783SS**  trans-44.6105.2143-67.1165.5000110
314S23.3Very low25.4Very low96 Ų96132.8 Ų132.867%0.67178%0.779SS**  trans-148.1128.1156.476.30000112.6L312L312-S314 PolarHBondContact O-N 3.25Å
315S25.7Very low25.6Very low104 Ų104134.8 Ų134.873%0.72779%0.785SS**  trans62.896.3156.153.10000119.4P317S315-P317 WeakPolarHBondContact O-CD 3.32Å
316S23.7Very low26Very low110 Ų110133.8 Ų133.877%0.76979%0.785SS**  trans-60.9114.2143.8166.80000109.6V318S316-V318 PolarHBondContact O-N 2.9Å
317P29Very low26.3Very low104 Ų104135 Ų13568%0.67579%0.785SS**  trans-86.3114.1172.130-20.8000109.3S315 L319S315-P317 WeakPolarHBondContact O-CD 3.32Å; P317-L319 PolarHBondContact O-N 3.47Å; P317-L319 VanDerWaalsContact O-N 3.15Å
318V26.6Very low26.9Very low122 Ų122141 Ų14174%0.73980%0.795SS**  trans-65.2104.4164.71760000107.9S316S316-V318 PolarHBondContact O-N 2.9Å
319L27.5Very low27.9Very low163 Ų163136.3 Ų136.385%0.85379%0.793SS**  trans-96.391.6166.9-75.8175.6000109.7P317P317-L319 PolarHBondContact O-N 3.47Å; P317-L319 VanDerWaalsContact O-N 3.15Å
320N26.2Very low29.3Very low153 Ų153134.9 Ų134.982%0.81878%0.783SS**  trans-73116.4153.4-94.1-22.5000108.5
321A27.8Very low30.9Very low95 Ų95133.5 Ų133.579%0.78578%0.778SS**  trans-159.398.9154.700000111.5
322S28.1Very low32.7Very low117 Ų117129.7 Ų129.782%0.81877%0.772SS**  trans46.4102139.7-61.90000120.2S324S322-S324 PolarHBondContact O-N 3.01Å
323L27Very low34.6Very low179 Ų179125.2 Ų125.294%0.93776%0.757SS**  trans-57103.3154.4-66.6161.7000111.8
324S30.9Very low36.9Very low96 Ų96119.1 Ų119.167%0.67173%0.733SS**  trans-164.795.4150.7-7.60000108.9S322S322-S324 PolarHBondContact O-N 3.01Å
325N29.3Very low39.5Very low165 Ų165117.5 Ų117.588%0.88273%0.726SS**  trans162.263.5148.1-80.8-13.3000111.1
326L31.6Very low42.1Very low157 Ų157118 Ų11882%0.82272%0.72SS**  trans-131.979.2165.9-139.895000109.7
327F31.3Very low44.6Very low175 Ų175117.3 Ų117.377%0.76870%0.704SS**  trans-136.8128.9158.4-139-99.3000107.5
328Y36.8Very low47Very low218 Ų218114.6 Ų114.686%0.85569%0.69SS**SBendtrans87.477.8-172.2-54-72.3000116.4
329G41.5Very low49.7Very low65 Ų65111.2 Ų111.267%0.6768%0.675SS**  trans169.2-9.9163.600000117.8A331G329-A331 PolarHBondContact O-N 2.99Å
330S55.3Low52.5Low82 Ų82108.1 Ų108.157%0.57366%0.659SS**Hα-helixtrans-83-10.9-157.872.20000118.6A334S330-A334 VanDerWaalsContact O-CB 3.27Å; S330-A334 WeakPolarHBondContact O-CB 3.42Å; S330-A334 PolarHBondContact O-N 3.42Å
331A54.6Low55.4Low84 Ų84107.5 Ų107.569%0.69465%0.646SS**Hα-helixtrans-70.6-39.6-17600000113.1G329 A335G329-A331 PolarHBondContact O-N 2.99Å; A331-A335 PolarHBondContact O-N 3.14Å
332S63.8Low58.3Low99 Ų99107.6 Ų107.669%0.69263%0.632SS**Hα-helixtrans-75.8-36.5-178.2-172.30000112.9L336S332-L336 PolarHBondContact O-N 3.35Å
333A65.6Low61.2Low61 Ų61107.8 Ų107.850%0.50462%0.618SS.*Hα-helixtrans-70.7-41.5178.800000111.4A335 L336 E337A333-A335 VanDerWaalsContact C-N 3.31Å; A333-A335 PolarHBondContact O-N 3.04Å; A333-L336 PolarHBondContact O-N 3.06Å; A333-E337 WeakPolarHBondContact O-CB 3.38Å; A333-E337 PolarHBondContact O-N 3.32Å
334A70.4Confident64Low56 Ų56104.9 Ų104.946%0.46360%0.6SS.*Hα-helixtrans-62.8-37.6175.800000112.2S330 A338S330-A334 VanDerWaalsContact O-CB 3.27Å; S330-A334 WeakPolarHBondContact O-CB 3.42Å; S330-A334 PolarHBondContact O-N 3.42Å; A334-A338 WeakPolarHBondContact O-CB 3.35Å; A334-A338 PolarHBondContact O-N 3.05Å
335A76.5Confident66.6Low63 Ų63106 Ų10652%0.52160%0.597SS.*Hα-helixtrans-66.4-41.1175.800000112.5A331 A333 A338 A339A331-A335 PolarHBondContact O-N 3.14Å; A333-A335 VanDerWaalsContact C-N 3.31Å; A333-A335 PolarHBondContact O-N 3.04Å; A335-A338 PolarHBondContact O-N 3.24Å; A335-A339 PolarHBondContact O-N 3.4Å
336L80.1Confident69.4Low115 Ų115103.7 Ų103.760%0.60258%0.581SS**Hα-helixtrans-67.6-40.1177-172.165.3000111.9S332 A333 A339 N340S332-L336 PolarHBondContact O-N 3.35Å; A333-L336 PolarHBondContact O-N 3.06Å; L336-A339 PolarHBondContact O-N 3.17Å; L336-N340 PolarHBondContact O-N 2.85Å
337E77.6Confident72.2Confident95 Ų95101.2 Ų101.244%0.44457%0.566SS.*Hα-helixtrans-65.2-38.7175.6-165.9-178162.200111.9A333 N340 R341A333-E337 WeakPolarHBondContact O-CB 3.38Å; A333-E337 PolarHBondContact O-N 3.32Å; E337-N340 PolarHBondContact O-N 2.8Å; E337-R341 VanDerWaalsContact CD-NH1 3.3Å; E337-R341 PolarHBondContact O-N 2.75Å; E337-R341 IonicContact OE1-CZ 3.06Å; E337-R341 IonicContact OE1-NH1 2.82Å; E337-R341 PolarHBondContact OE1-NH1 3.15Å; E337-R341 IonicContact OE1-NH2 2.69Å; E337-R341 PolarHBondContact OE1-NH2 3.2Å
338A79.5Confident75Confident46 Ų4696.4 Ų96.438%0.3855%0.548SS..Hα-helixtrans-64.2-40.8173.500000112.2A334 A335 R341 I342A334-A338 WeakPolarHBondContact O-CB 3.35Å; A334-A338 PolarHBondContact O-N 3.05Å; A335-A338 PolarHBondContact O-N 3.24Å; A338-R341 PolarHBondContact O-N 2.98Å; A338-I342 WeakPolarHBondContact O-CG1 3.35Å; A338-I342 PolarHBondContact O-N 3.34Å
339A83.4Confident77.5Confident51 Ų5192 Ų9242%0.42154%0.539SS..Hα-helixtrans-63.7-41.6175.800000112.3A335 L336 I342 K343A335-A339 PolarHBondContact O-N 3.4Å; L336-A339 PolarHBondContact O-N 3.17Å; A339-I342 PolarHBondContact O-N 2.88Å; A339-K343 PolarHBondContact O-N 3.27Å
340N86Confident79.9Confident98 Ų9895.2 Ų95.252%0.52454%0.536SS..Hα-helixtrans-64.4-40.9175.4-72.8-20.2000112L336 E337 I342 K343 E344L336-N340 PolarHBondContact O-N 2.85Å; E337-N340 PolarHBondContact O-N 2.8Å; N340-I342 VanDerWaalsContact C-N 3.35Å; N340-I342 PolarHBondContact O-N 2.96Å; N340-K343 PolarHBondContact O-N 3.31Å; N340-E344 PolarHBondContact O-N 2.97Å
341R86.2Confident81.5Confident140 Ų14096.4 Ų96.453%0.52853%0.532SS..Hα-helixtrans-61.9-40.3173.9-81174.6174.7126.29.9112.6E337 A338 K343 E344 L345E337-R341 VanDerWaalsContact CD-NH1 3.3Å; E337-R341 PolarHBondContact O-N 2.75Å; E337-R341 IonicContact OE1-CZ 3.06Å; E337-R341 IonicContact OE1-NH1 2.82Å; E337-R341 PolarHBondContact OE1-NH1 3.15Å; E337-R341 IonicContact OE1-NH2 2.69Å; E337-R341 PolarHBondContact OE1-NH2 3.2Å; A338-R341 PolarHBondContact O-N 2.98Å; R341-K343 VanDerWaalsContact C-N 3.32Å; R341-E344 PolarHBondContact O-N 2.96Å; R341-L345 WeakPolarHBondContact O-CB 3.34Å; R341-L345 VanDerWaalsContact O-CG 3.24Å; R341-L345 WeakPolarHBondContact O-CG 3.24Å; R341-L345 PolarHBondContact O-N 3.49Å
342I88.6Confident83Confident98 Ų98100.4 Ų100.450%0.50353%0.53SS..Hα-helixtrans-63.1-42.3175.7-69.8166.7000110.4A338 A339 N340 L345 Q346A338-I342 WeakPolarHBondContact O-CG1 3.35Å; A338-I342 PolarHBondContact O-N 3.34Å; A339-I342 PolarHBondContact O-N 2.88Å; N340-I342 VanDerWaalsContact C-N 3.35Å; N340-I342 PolarHBondContact O-N 2.96Å; I342-L345 PolarHBondContact O-N 2.96Å; I342-Q346 WeakPolarHBondContact O-CG 3.43Å; I342-Q346 PolarHBondContact O-N 2.98Å
343K88.3Confident84.2Confident121 Ų12198 Ų9853%0.52652%0.516SS..Hα-helixtrans-63.7-45.2177.5-169.4-177.1176.5-165.80112.2A339 N340 R341 L345 Q346 E347A339-K343 PolarHBondContact O-N 3.27Å; N340-K343 PolarHBondContact O-N 3.31Å; R341-K343 VanDerWaalsContact C-N 3.32Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 2.97Å; K343-Q346 WeakPolarHBondContact O-CB 3.33Å; K343-Q346 PolarHBondContact O-N 3.26Å; K343-Q346 VanDerWaalsContact O-N 3.16Å; K343-E347 VanDerWaalsContact CE-OE1 3.28Å; K343-E347 WeakPolarHBondContact CE-OE1 3.38Å; K343-E347 IonicContact NZ-OE1 3.55Å; K343-E347 PolarHBondContact O-N 2.65Å
344E86.8Confident85.4Confident117 Ų11798.6 Ų98.655%0.54752%0.517SS..Hα-helixtrans-61.9-39.5175.9-173.1-176.7178.100111.9N340 R341 Q346 E347 N348N340-E344 PolarHBondContact O-N 2.97Å; R341-E344 PolarHBondContact O-N 2.96Å; E344-Q346 VanDerWaalsContact C-N 3.34Å; E344-E347 PolarHBondContact O-N 3.05Å; E344-N348 WeakPolarHBondContact O-CB 3.44Å; E344-N348 PolarHBondContact O-N 3.12Å; E344-N348 PolarHBondContact O-ND2 3.36Å
345L86.3Confident86.2Confident119 Ų11999.7 Ų99.762%0.62351%0.512SS*.Hα-helixtrans-66.6-35.3174.7-72.6171.7000112.3R341 I342 K343 L349R341-L345 WeakPolarHBondContact O-CB 3.34Å; R341-L345 VanDerWaalsContact O-CG 3.24Å; R341-L345 WeakPolarHBondContact O-CG 3.24Å; R341-L345 PolarHBondContact O-N 3.49Å; I342-L345 PolarHBondContact O-N 2.96Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 2.97Å; L345-L349 WeakPolarHBondContact O-CB 3.39Å; L345-L349 PolarHBondContact O-N 3.25Å
346Q87.5Confident86.9Confident117 Ų117101.5 Ų101.555%0.54751%0.512SS..Hα-helixtrans-66.3-46.4174.1-75.6173.6-27.200111.7I342 K343 E344 N348 L349 E350I342-Q346 WeakPolarHBondContact O-CG 3.43Å; I342-Q346 PolarHBondContact O-N 2.98Å; K343-Q346 WeakPolarHBondContact O-CB 3.33Å; K343-Q346 PolarHBondContact O-N 3.26Å; K343-Q346 VanDerWaalsContact O-N 3.16Å; E344-Q346 VanDerWaalsContact C-N 3.34Å; Q346-N348 PolarHBondContact O-N 3.49Å; Q346-L349 PolarHBondContact O-N 3.13Å; Q346-E350 PolarHBondContact O-N 3.44Å
347E90.6Very high87.3Confident105 Ų105100.7 Ų100.749%0.49151%0.508SS..Hα-helixtrans-61.5-42.9176.7-72.6174.9-171.600111.4K343 E344 L349 E350 Q351K343-E347 VanDerWaalsContact CE-OE1 3.28Å; K343-E347 WeakPolarHBondContact CE-OE1 3.38Å; K343-E347 IonicContact NZ-OE1 3.55Å; K343-E347 PolarHBondContact O-N 2.65Å; E344-E347 PolarHBondContact O-N 3.05Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 2.97Å; E347-E350 PolarHBondContact O-N 3.42Å; E347-Q351 PolarHBondContact O-N 3.33Å
348N89.6Confident87.9Confident74 Ų7498.4 Ų98.440%0.39651%0.505SS..Hα-helixtrans-62.2-39.1174.3-80.8-50.6000112.6E344 Q346 Q351 R352E344-N348 WeakPolarHBondContact O-CB 3.44Å; E344-N348 PolarHBondContact O-N 3.12Å; E344-N348 PolarHBondContact O-ND2 3.36Å; Q346-N348 PolarHBondContact O-N 3.49Å; N348-Q351 PolarHBondContact O-N 3.32Å; N348-R352 WeakPolarHBondContact O-CB 3.25Å; N348-R352 VanDerWaalsContact O-CG 3.31Å; N348-R352 WeakPolarHBondContact O-CG 3.38Å; N348-R352 PolarHBondContact O-N 2.92Å
349L89.5Confident88.3Confident126 Ų12698.5 Ų98.566%0.6651%0.506SS*.Hα-helixtrans-69.5-37.3178.7-166.8139.8000111.6L345 Q346 E347 R352 A353L345-L349 WeakPolarHBondContact O-CB 3.39Å; L345-L349 PolarHBondContact O-N 3.25Å; Q346-L349 PolarHBondContact O-N 3.13Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 2.97Å; L349-R352 PolarHBondContact O-N 3.46Å; L349-A353 WeakPolarHBondContact O-CB 3.5Å; L349-A353 PolarHBondContact O-N 3.27Å
350E90.7Very high88.6Confident132 Ų132104 Ų10462%0.61752%0.516SS*.Hα-helixtrans-66.2-40.4172.2-77.7179.7171.900112.5Q346 E347 A353 S354Q346-E350 PolarHBondContact O-N 3.44Å; E347-E350 PolarHBondContact O-N 3.42Å; E350-A353 PolarHBondContact O-N 3.02Å; E350-S354 WeakPolarHBondContact O-CB 3.38Å; E350-S354 PolarHBondContact O-N 3.48Å; E350-S354 PolarHBondContact O-OG 3.48Å
351Q89.8Confident88.8Confident107 Ų107108.3 Ų108.350%0.553%0.525SS..Hα-helixtrans-61.3-47.7173.3-177.1179.6-11.700110.9E347 N348 A353 S354 E355E347-Q351 PolarHBondContact O-N 3.33Å; N348-Q351 PolarHBondContact O-N 3.32Å; Q351-A353 VanDerWaalsContact C-N 3.32Å; Q351-A353 PolarHBondContact O-N 3.45Å; Q351-S354 WeakPolarHBondContact O-CB 3.23Å; Q351-S354 PolarHBondContact O-N 3.47Å; Q351-S354 VanDerWaalsContact O-N 3.12Å; Q351-E355 PolarHBondContact NE2-OE1 3.37Å; Q351-E355 WeakPolarHBondContact O-CG 3.33Å; Q351-E355 PolarHBondContact O-N 3.42Å
352R85.7Confident89Confident168 Ų168107.6 Ų107.663%0.63453%0.528SS*.Hα-helixtrans-62.1-37.8176.9-72-60.7-169.6-175.43.8112.7N348 L349 S354 E355 L356N348-R352 WeakPolarHBondContact O-CB 3.25Å; N348-R352 VanDerWaalsContact O-CG 3.31Å; N348-R352 WeakPolarHBondContact O-CG 3.38Å; N348-R352 PolarHBondContact O-N 2.92Å; L349-R352 PolarHBondContact O-N 3.46Å; R352-S354 VanDerWaalsContact C-N 3.33Å; R352-E355 WeakPolarHBondContact CD-OE2 3.45Å; R352-E355 IonicContact CZ-OE2 3.95Å; R352-E355 IonicContact NE-OE2 2.86Å; R352-E355 IonicContact NH1-OE2 3.93Å; R352-E355 PolarHBondContact NH1-OE2 3.32Å; R352-L356 WeakPolarHBondContact O-CB 3.46Å; R352-L356 PolarHBondContact O-N 3.39Å
353A89.8Confident89Confident48 Ų48107.2 Ų107.240%0.39753%0.53SS..Hα-helixtrans-64.3-38.617400000112L349 E350 Q351 L356 L357L349-A353 WeakPolarHBondContact O-CB 3.5Å; L349-A353 PolarHBondContact O-N 3.27Å; E350-A353 PolarHBondContact O-N 3.02Å; Q351-A353 VanDerWaalsContact C-N 3.32Å; Q351-A353 PolarHBondContact O-N 3.45Å; A353-L356 PolarHBondContact O-N 3.31Å; A353-L357 WeakPolarHBondContact O-CG 3.32Å; A353-L357 PolarHBondContact O-N 2.97Å
354S89.7Confident89.1Confident75 Ų75107.3 Ų107.352%0.52454%0.535SS..Hα-helixtrans-68.5-43.5177.1-600000112.3E350 Q351 R352 L356 L357 A358E350-S354 WeakPolarHBondContact O-CB 3.38Å; E350-S354 PolarHBondContact O-N 3.48Å; E350-S354 PolarHBondContact O-OG 3.48Å; Q351-S354 WeakPolarHBondContact O-CB 3.23Å; Q351-S354 PolarHBondContact O-N 3.47Å; Q351-S354 VanDerWaalsContact O-N 3.12Å; R352-S354 VanDerWaalsContact C-N 3.33Å; S354-L356 VanDerWaalsContact C-N 3.32Å; S354-L356 PolarHBondContact O-N 3.26Å; S354-L357 PolarHBondContact O-N 2.94Å; S354-A358 PolarHBondContact O-N 2.88Å
355E88.4Confident89.2Confident78 Ų78106.2 Ų106.236%0.36453%0.53SS..Hα-helixtrans-59.4-42.8172.7-72.7171.9-170.700111.3Q351 R352 L357 A358 A359Q351-E355 PolarHBondContact NE2-OE1 3.37Å; Q351-E355 WeakPolarHBondContact O-CG 3.33Å; Q351-E355 PolarHBondContact O-N 3.42Å; R352-E355 WeakPolarHBondContact CD-OE2 3.45Å; R352-E355 IonicContact CZ-OE2 3.95Å; R352-E355 IonicContact NE-OE2 2.86Å; R352-E355 IonicContact NH1-OE2 3.93Å; R352-E355 PolarHBondContact NH1-OE2 3.32Å; E355-L357 PolarHBondContact O-N 2.93Å; E355-A358 PolarHBondContact O-N 3.26Å; E355-A359 PolarHBondContact O-N 2.91Å
356L89.8Confident89.2Confident102 Ų102106 Ų10653%0.53453%0.528SS..Hα-helixtrans-66.2-37.6177.9-171.4124.7000112.3R352 A353 S354 R360R352-L356 WeakPolarHBondContact O-CB 3.46Å; R352-L356 PolarHBondContact O-N 3.39Å; A353-L356 PolarHBondContact O-N 3.31Å; S354-L356 VanDerWaalsContact C-N 3.32Å; S354-L356 PolarHBondContact O-N 3.26Å; L356-R360 WeakPolarHBondContact O-CG 3.43Å; L356-R360 PolarHBondContact O-N 2.83Å
357L90.4Very high89.3Confident97 Ų97104.6 Ų104.651%0.50853%0.528SS..Hα-helixtrans-66.3-39.4172.7-76.9172.4000112.1A353 S354 E355 R360 R361A353-L357 WeakPolarHBondContact O-CG 3.32Å; A353-L357 PolarHBondContact O-N 2.97Å; S354-L357 PolarHBondContact O-N 2.94Å; E355-L357 PolarHBondContact O-N 2.93Å; L357-R360 PolarHBondContact O-N 2.98Å; L357-R361 WeakPolarHBondContact O-CG 3.44Å; L357-R361 PolarHBondContact O-N 3.48Å; L357-R361 VanDerWaalsContact O-N 3.09Å
358A88.4Confident89.3Confident47 Ų47102 Ų10239%0.38852%0.522SS..Hα-helixtrans-64-44.5175.100000111.6S354 E355 R360 R361 Q362S354-A358 PolarHBondContact O-N 2.88Å; E355-A358 PolarHBondContact O-N 3.26Å; A358-R360 VanDerWaalsContact C-N 3.34Å; A358-R360 PolarHBondContact O-N 3.22Å; A358-R361 PolarHBondContact O-N 3.33Å; A358-R361 VanDerWaalsContact O-N 3.17Å; A358-Q362 PolarHBondContact O-N 3.41Å
359A88.4Confident89.3Confident48 Ų48105.4 Ų105.440%0.39753%0.529SS..Hα-helixtrans-60.6-41.5175.100000111.9E355 R361 Q362 V363E355-A359 PolarHBondContact O-N 2.91Å; A359-R361 VanDerWaalsContact C-N 3.34Å; A359-R361 PolarHBondContact O-N 3.49Å; A359-Q362 PolarHBondContact O-N 3.48Å; A359-V363 WeakPolarHBondContact O-CG2 3.42Å; A359-V363 PolarHBondContact O-N 2.98Å
360R89.2Confident89.2Confident166 Ų166103.3 Ų103.363%0.62653%0.525SS*.Hα-helixtrans-60.6-40174.4-78.1-178.8177.7-157.90.8112.7L356 L357 A358 V363 I364L356-R360 WeakPolarHBondContact O-CG 3.43Å; L356-R360 PolarHBondContact O-N 2.83Å; L357-R360 PolarHBondContact O-N 2.98Å; A358-R360 VanDerWaalsContact C-N 3.34Å; A358-R360 PolarHBondContact O-N 3.22Å; R360-V363 PolarHBondContact O-N 2.86Å; R360-I364 WeakPolarHBondContact O-CG1 3.27Å; R360-I364 PolarHBondContact O-N 2.97Å
361R92Very high89.2Confident189 Ų189106 Ų10671%0.71353%0.529SS*.Hα-helixtrans-63.7-43.4175.5-71.3177.5-175.8165.62.2111.6L357 A358 A359 V363 I364 E365L357-R361 WeakPolarHBondContact O-CG 3.44Å; L357-R361 PolarHBondContact O-N 3.48Å; L357-R361 VanDerWaalsContact O-N 3.09Å; A358-R361 PolarHBondContact O-N 3.33Å; A358-R361 VanDerWaalsContact O-N 3.17Å; A359-R361 VanDerWaalsContact C-N 3.34Å; A359-R361 PolarHBondContact O-N 3.49Å; R361-V363 VanDerWaalsContact C-N 3.34Å; R361-V363 PolarHBondContact O-N 3.02Å; R361-I364 PolarHBondContact O-N 3.26Å; R361-E365 PolarHBondContact O-N 2.93Å
362Q89.3Confident89.1Confident126 Ų126106.5 Ų106.559%0.58953%0.532SS*.Hα-helixtrans-61.5-40.4176.5-71.8-177.3-5.900112.4A358 A359 I364 E365 L366A358-Q362 PolarHBondContact O-N 3.41Å; A359-Q362 PolarHBondContact O-N 3.48Å; Q362-I364 VanDerWaalsContact C-N 3.34Å; Q362-I364 PolarHBondContact O-N 3.4Å; Q362-E365 PolarHBondContact O-N 3.25Å; Q362-L366 WeakPolarHBondContact O-CB 3.39Å; Q362-L366 WeakPolarHBondContact O-CG 3.38Å; Q362-L366 PolarHBondContact O-N 3.41Å
363V89.1Confident89Confident90 Ų90102.4 Ų102.455%0.54553%0.529SS..Hα-helixtrans-62.1-41.1176.3171.70000111.6A359 R360 R361 T367A359-V363 WeakPolarHBondContact O-CG2 3.42Å; A359-V363 PolarHBondContact O-N 2.98Å; R360-V363 PolarHBondContact O-N 2.86Å; R361-V363 VanDerWaalsContact C-N 3.34Å; R361-V363 PolarHBondContact O-N 3.02Å; V363-T367 WeakPolarHBondContact O-CB 3.34Å; V363-T367 PolarHBondContact O-N 3.48Å; V363-T367 PolarHBondContact O-OG1 2.95Å
364I90.3Very high88.9Confident122 Ų122103.6 Ų103.663%0.62653%0.534SS*.Hα-helixtrans-63.3-45.4176.2-66.8167.7000110.5R360 R361 Q362 T367 S368R360-I364 WeakPolarHBondContact O-CG1 3.27Å; R360-I364 PolarHBondContact O-N 2.97Å; R361-I364 PolarHBondContact O-N 3.26Å; Q362-I364 VanDerWaalsContact C-N 3.34Å; Q362-I364 PolarHBondContact O-N 3.4Å; I364-T367 PolarHBondContact O-N 2.9Å; I364-S368 PolarHBondContact O-N 2.85Å
365E88.8Confident88.9Confident95 Ų95104.7 Ų104.744%0.44453%0.534SS..Hα-helixtrans-63.8-45.9179.1-171.2170.9171.600111.9R361 Q362 T367 S368 R369R361-E365 PolarHBondContact O-N 2.93Å; Q362-E365 PolarHBondContact O-N 3.25Å; E365-T367 VanDerWaalsContact C-N 3.28Å; E365-T367 PolarHBondContact O-N 3.21Å; E365-S368 WeakPolarHBondContact CA-OG 3.39Å; E365-S368 PolarHBondContact O-N 3.31Å; E365-S368 VanDerWaalsContact O-N 3.12Å; E365-S368 PolarHBondContact O-OG 3.27Å; E365-R369 WeakPolarHBondContact O-CG 3.43Å; E365-R369 PolarHBondContact O-N 3.34Å; E365-R369 IonicContact OE1-CZ 3.23Å; E365-R369 IonicContact OE1-NE 2.68Å; E365-R369 PolarHBondContact OE1-NE 3.24Å; E365-R369 IonicContact OE1-NH2 2.99Å; E365-R369 PolarHBondContact OE1-NH2 3.07Å
366L87.1Confident88.8Confident113 Ų113104.8 Ų104.859%0.59254%0.543SS*.Hα-helixtrans-61.8-36.6175.2-70.5174.8000112.3Q362 R369 S370Q362-L366 WeakPolarHBondContact O-CB 3.39Å; Q362-L366 WeakPolarHBondContact O-CG 3.38Å; Q362-L366 PolarHBondContact O-N 3.41Å; L366-R369 PolarHBondContact O-N 2.75Å; L366-S370 VanDerWaalsContact O-CB 3.3Å; L366-S370 WeakPolarHBondContact O-CB 3.46Å; L366-S370 PolarHBondContact O-N 3.34Å
367T89.8Confident88.6Confident89 Ų89105.4 Ų105.455%0.54655%0.547SS..Hα-helixtrans-66-39.4174.9-55.40000111.2V363 I364 E365 R371V363-T367 WeakPolarHBondContact O-CB 3.34Å; V363-T367 PolarHBondContact O-N 3.48Å; V363-T367 PolarHBondContact O-OG1 2.95Å; I364-T367 PolarHBondContact O-N 2.9Å; E365-T367 VanDerWaalsContact C-N 3.28Å; E365-T367 PolarHBondContact O-N 3.21Å; T367-R371 PolarHBondContact O-N 2.84Å; T367-R371 VanDerWaalsContact O-N 3.08Å
368S89.9Confident88.6Confident51 Ų51104.7 Ų104.736%0.35755%0.55SS..Hα-helixtrans-65.8-46.5175670000112.3I364 E365 S370 R371 E372I364-S368 PolarHBondContact O-N 2.85Å; E365-S368 WeakPolarHBondContact CA-OG 3.39Å; E365-S368 PolarHBondContact O-N 3.31Å; E365-S368 VanDerWaalsContact O-N 3.12Å; E365-S368 PolarHBondContact O-OG 3.27Å; S368-S370 VanDerWaalsContact C-N 3.34Å; S368-S370 PolarHBondContact O-N 3.19Å; S368-R371 WeakPolarHBondContact O-CB 3.47Å; S368-R371 PolarHBondContact O-N 2.92Å; S368-R371 VanDerWaalsContact O-N 3.09Å; S368-E372 WeakPolarHBondContact O-CG 3.15Å; S368-E372 PolarHBondContact O-N 3.33Å
369R88.8Confident88.6Confident145 Ų145107.7 Ų107.755%0.54756%0.559SS.*Hα-helixtrans-61.9-38.9176-68.6-177.7-173.1-1602.9112.4E365 L366 R371 E372 S373E365-R369 WeakPolarHBondContact O-CG 3.43Å; E365-R369 PolarHBondContact O-N 3.34Å; E365-R369 IonicContact OE1-CZ 3.23Å; E365-R369 IonicContact OE1-NE 2.68Å; E365-R369 PolarHBondContact OE1-NE 3.24Å; E365-R369 IonicContact OE1-NH2 2.99Å; E365-R369 PolarHBondContact OE1-NH2 3.07Å; L366-R369 PolarHBondContact O-N 2.75Å; R369-R371 VanDerWaalsContact C-N 3.33Å; R369-E372 PolarHBondContact O-N 2.81Å; R369-S373 VanDerWaalsContact O-CB 3.32Å; R369-S373 WeakPolarHBondContact O-CB 3.35Å; R369-S373 PolarHBondContact O-N 3.23Å
370S87.2Confident88.4Confident82 Ų82107.8 Ų107.857%0.57356%0.559SS**Hα-helixtrans-63.4-39.4174.3178.50000111.8L366 S368 S374L366-S370 VanDerWaalsContact O-CB 3.3Å; L366-S370 WeakPolarHBondContact O-CB 3.46Å; L366-S370 PolarHBondContact O-N 3.34Å; S368-S370 VanDerWaalsContact C-N 3.34Å; S368-S370 PolarHBondContact O-N 3.19Å; S370-S374 WeakPolarHBondContact O-CB 3.21Å; S370-S374 PolarHBondContact O-N 3.38Å
371R90.6Very high88.3Confident187 Ų187104.8 Ų104.871%0.70655%0.552SS**Hα-helixtrans-68.1-41.9176-169.5174.9-172.9166.2-0.2112.4T367 S368 R369 S374 N375T367-R371 PolarHBondContact O-N 2.84Å; T367-R371 VanDerWaalsContact O-N 3.08Å; S368-R371 WeakPolarHBondContact O-CB 3.47Å; S368-R371 PolarHBondContact O-N 2.92Å; S368-R371 VanDerWaalsContact O-N 3.09Å; R369-R371 VanDerWaalsContact C-N 3.33Å; R371-S374 PolarHBondContact O-N 3.37Å; R371-N375 VanDerWaalsContact O-CG 3.29Å; R371-N375 PolarHBondContact O-N 3.4Å; R371-N375 PolarHBondContact O-ND2 2.86Å
372E88.4Confident88.1Confident119 Ų11999.3 Ų99.356%0.55654%0.543SS*.Hα-helixtrans-61.7-47.5174.3-72.7166.8-171.700111.2S368 R369 S374 N375 S376S368-E372 WeakPolarHBondContact O-CG 3.15Å; S368-E372 PolarHBondContact O-N 3.33Å; R369-E372 PolarHBondContact O-N 2.81Å; E372-S374 VanDerWaalsContact C-N 3.3Å; E372-S374 PolarHBondContact O-N 3.36Å; E372-N375 WeakPolarHBondContact O-CB 3.37Å; E372-N375 PolarHBondContact O-N 2.88Å; E372-N375 VanDerWaalsContact O-N 3.07Å; E372-S376 PolarHBondContact O-N 3.45Å; E372-S376 PolarHBondContact O-OG 3.03Å
373S84.7Confident88Confident82 Ų8299.1 Ų99.157%0.57354%0.542SS*.Hα-helixtrans-58.2-41.2175.4-177.60000112.2R369 N375 S376 L377R369-S373 VanDerWaalsContact O-CB 3.32Å; R369-S373 WeakPolarHBondContact O-CB 3.35Å; R369-S373 PolarHBondContact O-N 3.23Å; S373-N375 PolarHBondContact O-N 3.27Å; S373-S376 PolarHBondContact O-N 3.47Å; S373-L377 WeakPolarHBondContact O-CB 3.47Å; S373-L377 PolarHBondContact O-N 2.94Å
374S86.8Confident87.8Confident73 Ų7399 Ų9951%0.5154%0.538SS..Hα-helixtrans-64.8-36.6174.9-173.30000113S370 R371 E372 S378S370-S374 WeakPolarHBondContact O-CB 3.21Å; S370-S374 PolarHBondContact O-N 3.38Å; R371-S374 PolarHBondContact O-N 3.37Å; E372-S374 VanDerWaalsContact C-N 3.3Å; E372-S374 PolarHBondContact O-N 3.36Å; S374-S378 PolarHBondContact O-N 2.9Å; S374-S378 VanDerWaalsContact O-N 3.1Å
375N88.9Confident87.6Confident98 Ų9897.2 Ų97.252%0.52453%0.53SS..Hα-helixtrans-70.2-42.6176.6-69.7-19.8000111.2R371 E372 S373 L377 S378 L379R371-N375 VanDerWaalsContact O-CG 3.29Å; R371-N375 PolarHBondContact O-N 3.4Å; R371-N375 PolarHBondContact O-ND2 2.86Å; E372-N375 WeakPolarHBondContact O-CB 3.37Å; E372-N375 PolarHBondContact O-N 2.88Å; E372-N375 VanDerWaalsContact O-N 3.07Å; S373-N375 PolarHBondContact O-N 3.27Å; N375-L377 VanDerWaalsContact C-N 3.3Å; N375-L377 PolarHBondContact O-N 3.34Å; N375-S378 WeakPolarHBondContact O-CB 3.23Å; N375-S378 PolarHBondContact O-N 3.29Å; N375-S378 VanDerWaalsContact O-N 3.16Å; N375-L379 PolarHBondContact O-N 3.07Å
376S86.2Confident87.5Confident79 Ų79101.6 Ų101.655%0.55254%0.542SS*.Hα-helixtrans-60.9-40.1175.1-60.60000111.6E372 S373 L379 A380E372-S376 PolarHBondContact O-N 3.45Å; E372-S376 PolarHBondContact O-OG 3.03Å; S373-S376 PolarHBondContact O-N 3.47Å; S376-L379 PolarHBondContact O-N 3Å; S376-A380 WeakPolarHBondContact O-CB 3.36Å; S376-A380 PolarHBondContact O-N 3.33Å
377L87.1Confident87.3Confident116 Ų11698.2 Ų98.261%0.60753%0.531SS*.Hα-helixtrans-63-41.3174-174.665.7000111.9S373 N375 L379 A380 Q381S373-L377 WeakPolarHBondContact O-CB 3.47Å; S373-L377 PolarHBondContact O-N 2.94Å; N375-L377 VanDerWaalsContact C-N 3.3Å; N375-L377 PolarHBondContact O-N 3.34Å; L377-L379 VanDerWaalsContact C-N 3.35Å; L377-L379 PolarHBondContact O-N 3.47Å; L377-A380 PolarHBondContact O-N 3.49Å; L377-Q381 WeakPolarHBondContact O-CB 3.27Å; L377-Q381 PolarHBondContact O-N 3.17Å
378S89Confident86.9Confident82 Ų8297.7 Ų97.757%0.57353%0.525SS*.Hα-helixtrans-64.7-36.8176-174.60000112.8S374 N375 S382S374-S378 PolarHBondContact O-N 2.9Å; S374-S378 VanDerWaalsContact O-N 3.1Å; N375-S378 WeakPolarHBondContact O-CB 3.23Å; N375-S378 PolarHBondContact O-N 3.29Å; N375-S378 VanDerWaalsContact O-N 3.16Å; S378-S382 PolarHBondContact O-N 3.35Å
379L88.3Confident86.7Confident109 Ų10999.4 Ų99.457%0.57153%0.53SS*.Hα-helixtrans-67.5-48.4176.1-165.889.7000110.5N375 S376 L377 Q381 S382 E383N375-L379 PolarHBondContact O-N 3.07Å; S376-L379 PolarHBondContact O-N 3Å; L377-L379 VanDerWaalsContact C-N 3.35Å; L377-L379 PolarHBondContact O-N 3.47Å; L379-Q381 VanDerWaalsContact C-N 3.27Å; L379-Q381 PolarHBondContact O-N 2.84Å; L379-S382 WeakPolarHBondContact O-CA 3.33Å; L379-S382 WeakPolarHBondContact O-CB 3.26Å; L379-S382 PolarHBondContact O-N 2.94Å; L379-E383 PolarHBondContact O-N 3.15Å
380A85.2Confident86.6Confident50 Ų5097.3 Ų97.341%0.41353%0.526SS..Hα-helixtrans-58.9-38.7177.100000112S376 L377 S382 E383 L384S376-A380 WeakPolarHBondContact O-CB 3.36Å; S376-A380 PolarHBondContact O-N 3.33Å; L377-A380 PolarHBondContact O-N 3.49Å; A380-S382 VanDerWaalsContact C-N 3.34Å; A380-S382 PolarHBondContact O-N 3.29Å; A380-E383 PolarHBondContact O-N 3.26Å; A380-L384 WeakPolarHBondContact O-CB 3.36Å; A380-L384 PolarHBondContact O-N 2.81Å
381Q87.2Confident86.2Confident103 Ų10398.2 Ų98.248%0.48152%0.523SS..Hα-helixtrans-63.5-38.8174.3-163.574.521.600112L377 L379 N385L377-Q381 WeakPolarHBondContact O-CB 3.27Å; L377-Q381 PolarHBondContact O-N 3.17Å; L379-Q381 VanDerWaalsContact C-N 3.27Å; L379-Q381 PolarHBondContact O-N 2.84Å; Q381-N385 VanDerWaalsContact O-CG 3.26Å; Q381-N385 PolarHBondContact O-N 3.48Å; Q381-N385 PolarHBondContact O-ND2 3.03Å
382S87.4Confident85.8Confident75 Ų7594.6 Ų94.652%0.52452%0.515SS..Hα-helixtrans-69.1-38.2176.2-174.40000112.5S378 L379 A380 N385 R386S378-S382 PolarHBondContact O-N 3.35Å; L379-S382 WeakPolarHBondContact O-CA 3.33Å; L379-S382 WeakPolarHBondContact O-CB 3.26Å; L379-S382 PolarHBondContact O-N 2.94Å; A380-S382 VanDerWaalsContact C-N 3.34Å; A380-S382 PolarHBondContact O-N 3.29Å; S382-N385 PolarHBondContact O-N 3.01Å; S382-R386 PolarHBondContact O-N 3.23Å
383E86.9Confident85.5Confident121 Ų12195.2 Ų95.257%0.56551%0.512SS*.Hα-helixtrans-67.2-40.9175.2-71.8178.6170.900111.4L379 A380 N385 R386 A387L379-E383 PolarHBondContact O-N 3.15Å; A380-E383 PolarHBondContact O-N 3.26Å; E383-N385 PolarHBondContact O-N 3.11Å; E383-R386 PolarHBondContact O-N 2.93Å; E383-A387 WeakPolarHBondContact O-CB 3.46Å; E383-A387 PolarHBondContact O-N 2.86Å
384L84.7Confident85.1Confident89 Ų8995.8 Ų95.847%0.46651%0.508SS..Hα-helixtrans-59.8-44.9173.6-177.466.2000111.6A380 R386 A387 N388A380-L384 WeakPolarHBondContact O-CB 3.36Å; A380-L384 PolarHBondContact O-N 2.81Å; L384-R386 PolarHBondContact O-N 2.94Å; L384-A387 PolarHBondContact O-N 2.85Å; L384-N388 VanDerWaalsContact O-CG 3.32Å; L384-N388 PolarHBondContact O-N 3.21Å; L384-N388 PolarHBondContact O-ND2 3.11Å
385N87.4Confident84.8Confident83 Ų8395.3 Ų95.344%0.44450%0.502SS..Hα-helixtrans-62.1-42.8175.9-71.5-16.6000111.7Q381 S382 E383 A387 N388 D389Q381-N385 VanDerWaalsContact O-CG 3.26Å; Q381-N385 PolarHBondContact O-N 3.48Å; Q381-N385 PolarHBondContact O-ND2 3.03Å; S382-N385 PolarHBondContact O-N 3.01Å; E383-N385 PolarHBondContact O-N 3.11Å; N385-A387 VanDerWaalsContact C-N 3.34Å; N385-A387 PolarHBondContact O-N 3.1Å; N385-N388 PolarHBondContact O-N 3.32Å; N385-D389 PolarHBondContact O-N 3.45Å
386R86.7Confident84.7Confident187 Ų18797.1 Ų97.171%0.70650%0.502SS*.Hα-helixtrans-63.3-38.8176.6-174.3-178.4175.8115-0.9112.3S382 E383 L384 Q390S382-R386 PolarHBondContact O-N 3.23Å; E383-R386 PolarHBondContact O-N 2.93Å; L384-R386 PolarHBondContact O-N 2.94Å; R386-Q390 PolarHBondContact O-N 2.65Å; R386-Q390 VanDerWaalsContact O-N 3.14Å
387A82.5Confident84.6Confident42 Ų4299.1 Ų99.135%0.34750%0.502SS..Hα-helixtrans-66.4-41.7174.900000111.4E383 L384 N385 D389 Q390 I391E383-A387 WeakPolarHBondContact O-CB 3.46Å; E383-A387 PolarHBondContact O-N 2.86Å; L384-A387 PolarHBondContact O-N 2.85Å; N385-A387 VanDerWaalsContact C-N 3.34Å; N385-A387 PolarHBondContact O-N 3.1Å; A387-D389 PolarHBondContact O-N 3.37Å; A387-Q390 WeakPolarHBondContact O-CB 3.39Å; A387-Q390 PolarHBondContact O-N 2.88Å; A387-Q390 VanDerWaalsContact O-N 3.16Å; A387-I391 WeakPolarHBondContact O-CG1 3.43Å; A387-I391 PolarHBondContact O-N 3.36Å
388N80.9Confident83.9Confident78 Ų7898.6 Ų98.642%0.41750%0.499SS..Hα-helixtrans-60.6-44.3174.6-73.4-27.2000111.9L384 N385 Q390 I391 E392L384-N388 VanDerWaalsContact O-CG 3.32Å; L384-N388 PolarHBondContact O-N 3.21Å; L384-N388 PolarHBondContact O-ND2 3.11Å; N385-N388 PolarHBondContact O-N 3.32Å; N388-Q390 VanDerWaalsContact C-N 3.26Å; N388-Q390 PolarHBondContact O-N 3.4Å; N388-I391 PolarHBondContact O-N 2.97Å; N388-E392 PolarHBondContact O-N 3.41Å
389D86.5Confident83.7Confident87 Ų87102.7 Ų102.747%0.46550%0.502SS..Hα-helixtrans-61.6-35175.2-68.1-16.4000112.1N385 A387 R393N385-D389 PolarHBondContact O-N 3.45Å; A387-D389 PolarHBondContact O-N 3.37Å; D389-R393 WeakPolarHBondContact O-CG 3.48Å; D389-R393 PolarHBondContact O-N 2.9Å; D389-R393 VanDerWaalsContact O-N 3.14Å; D389-R393 PolarHBondContact O-NH1 2.99Å
390Q86.1Confident83.4Confident102 Ų102102.1 Ų102.148%0.47750%0.497SS..Hα-helixtrans-72.2-41.1176.4-174.9172.6-6.800111.9R386 A387 N388 E392 R393 L394R386-Q390 PolarHBondContact O-N 2.65Å; R386-Q390 VanDerWaalsContact O-N 3.14Å; A387-Q390 WeakPolarHBondContact O-CB 3.39Å; A387-Q390 PolarHBondContact O-N 2.88Å; A387-Q390 VanDerWaalsContact O-N 3.16Å; N388-Q390 VanDerWaalsContact C-N 3.26Å; N388-Q390 PolarHBondContact O-N 3.4Å; Q390-E392 VanDerWaalsContact C-N 3.33Å; Q390-R393 PolarHBondContact O-N 3.38Å; Q390-L394 HydrophobicContact CG-CD1 4.24Å; Q390-L394 WeakPolarHBondContact O-CG 3.27Å; Q390-L394 PolarHBondContact O-N 3.43Å
391I79.2Confident83.1Confident100 Ų100103.2 Ų103.251%0.51350%0.501SS..Hα-helixtrans-59.8-45.4173.1-69.9166.9000109.7A387 N388 R393 L394 T395A387-I391 WeakPolarHBondContact O-CG1 3.43Å; A387-I391 PolarHBondContact O-N 3.36Å; N388-I391 PolarHBondContact O-N 2.97Å; I391-R393 VanDerWaalsContact C-N 3.35Å; I391-R393 PolarHBondContact O-N 2.8Å; I391-L394 PolarHBondContact O-N 2.87Å; I391-T395 WeakPolarHBondContact O-CB 3.3Å; I391-T395 PolarHBondContact O-N 2.88Å; I391-T395 PolarHBondContact O-OG1 2.65Å
392E82.5Confident82.7Confident112 Ų112102.8 Ų102.852%0.52350%0.499SS..Hα-helixtrans-63.1-40179.6-158.8-167.7145.300112.1N388 Q390 T395 R396N388-E392 PolarHBondContact O-N 3.41Å; Q390-E392 VanDerWaalsContact C-N 3.33Å; E392-T395 PolarHBondContact O-N 3.4Å; E392-R396 PolarHBondContact O-N 2.97Å; E392-R396 VanDerWaalsContact O-N 3.08Å; E392-R396 IonicContact OE1-NH2 3.75Å; E392-R396 PolarHBondContact OE1-NH2 3.25Å
393R81.3Confident82.5Confident131 Ų131104.4 Ų104.449%0.49450%0.499SS..Hα-helixtrans-61.5-50.1172.9-75.9-171.3-63.7-86.1-0.4112.2D389 Q390 I391 T395 R396 E397D389-R393 WeakPolarHBondContact O-CG 3.48Å; D389-R393 PolarHBondContact O-N 2.9Å; D389-R393 VanDerWaalsContact O-N 3.14Å; D389-R393 PolarHBondContact O-NH1 2.99Å; Q390-R393 PolarHBondContact O-N 3.38Å; I391-R393 VanDerWaalsContact C-N 3.35Å; I391-R393 PolarHBondContact O-N 2.8Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 3.02Å; R393-R396 WeakPolarHBondContact O-CB 3.5Å; R393-R396 PolarHBondContact O-N 3.43Å; R393-R396 VanDerWaalsContact O-N 3.15Å; R393-E397 PolarHBondContact O-N 3.5Å
394L77.3Confident82.2Confident94 Ų94105.7 Ų105.749%0.49250%0.498SS..Hα-helixtrans-63.8-35.8179.3-70.5172.4000112.2Q390 I391 R396 E397 L398Q390-L394 HydrophobicContact CG-CD1 4.24Å; Q390-L394 WeakPolarHBondContact O-CG 3.27Å; Q390-L394 PolarHBondContact O-N 3.43Å; I391-L394 PolarHBondContact O-N 2.87Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 3.45Å; L394-E397 PolarHBondContact O-N 3Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 PolarHBondContact O-N 3.43Å
395T80.3Confident81.9Confident64 Ų64106.1 Ų106.139%0.39349%0.494SS..Hα-helixtrans-66.4-35.3176.5-480000111.2I391 E392 R393 R399I391-T395 WeakPolarHBondContact O-CB 3.3Å; I391-T395 PolarHBondContact O-N 2.88Å; I391-T395 PolarHBondContact O-OG1 2.65Å; E392-T395 PolarHBondContact O-N 3.4Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 3.02Å; T395-R399 WeakPolarHBondContact O-CB 3.47Å; T395-R399 PolarHBondContact O-N 3.43Å; T395-R399 VanDerWaalsContact O-N 3.11Å
396R85.1Confident81.4Confident136 Ų136104 Ų10451%0.51348%0.484SS..Hα-helixtrans-68.5-46.2174.5-167.6-179.3-55.3-127.4-1.2111.8E392 R393 L394 L398 R399 E400E392-R396 PolarHBondContact O-N 2.97Å; E392-R396 VanDerWaalsContact O-N 3.08Å; E392-R396 IonicContact OE1-NH2 3.75Å; E392-R396 PolarHBondContact OE1-NH2 3.25Å; R393-R396 WeakPolarHBondContact O-CB 3.5Å; R393-R396 PolarHBondContact O-N 3.43Å; R393-R396 VanDerWaalsContact O-N 3.15Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 3.45Å; R396-L398 PolarHBondContact O-N 3.3Å; R396-R399 PolarHBondContact O-N 2.89Å; R396-E400 WeakPolarHBondContact O-CG 3.45Å; R396-E400 PolarHBondContact O-N 3.06Å
397E84.1Confident81.2Confident120 Ų12099.1 Ų99.156%0.56147%0.472SS*.Hα-helixtrans-62.3-41176.3-72.2175.4-17000112.1R393 L394 E400 S401R393-E397 PolarHBondContact O-N 3.5Å; L394-E397 PolarHBondContact O-N 3Å; E397-E400 PolarHBondContact O-N 3.13Å; E397-S401 WeakPolarHBondContact O-CB 3.42Å; E397-S401 PolarHBondContact O-N 3.32Å
398L73.9Confident80.9Confident105 Ų105103.6 Ų103.655%0.5549%0.486SS..Hα-helixtrans-60.1-46.4174.3-173.871.6000111.2L394 R396 E400 S401 E402L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 PolarHBondContact O-N 3.43Å; R396-L398 PolarHBondContact O-N 3.3Å; L398-E400 PolarHBondContact O-N 3.48Å; L398-S401 PolarHBondContact O-N 3.4Å; L398-E402 WeakPolarHBondContact O-CG 3.48Å; L398-E402 PolarHBondContact O-N 2.71Å
399R83.7Confident81.1Confident168 Ų168102.6 Ų102.663%0.63448%0.478SS*.Hα-helixtrans-61.4-41.5177.6-169.9-175.3-63.9150.2-0.7112.2T395 R396 E402 Q403T395-R399 WeakPolarHBondContact O-CB 3.47Å; T395-R399 PolarHBondContact O-N 3.43Å; T395-R399 VanDerWaalsContact O-N 3.11Å; R396-R399 PolarHBondContact O-N 2.89Å; R399-E402 PolarHBondContact O-N 2.79Å; R399-Q403 PolarHBondContact O-N 2.78Å
400E83.3Confident80.8Confident97 Ų97100.7 Ų100.745%0.45347%0.472SS..Hα-helixtrans-67.8-37.1175.1-71.2-179.1-162.800112.5R396 E397 L398 Q403 R404R396-E400 WeakPolarHBondContact O-CG 3.45Å; R396-E400 PolarHBondContact O-N 3.06Å; E397-E400 PolarHBondContact O-N 3.13Å; L398-E400 PolarHBondContact O-N 3.48Å; E400-Q403 PolarHBondContact O-N 2.76Å; E400-R404 WeakPolarHBondContact O-CG 3.38Å; E400-R404 PolarHBondContact O-N 3.42Å; E400-R404 VanDerWaalsContact O-N 3.09Å; E400-R404 IonicContact OE2-NH1 3.62Å; E400-R404 IonicContact OE2-NH2 3.47Å
401S78.7Confident80.6Confident73 Ų73100.6 Ų100.651%0.5147%0.474SS..Hα-helixtrans-67-38.7175-171.90000111.9E397 L398 R404 R405E397-S401 WeakPolarHBondContact O-CB 3.42Å; E397-S401 PolarHBondContact O-N 3.32Å; L398-S401 PolarHBondContact O-N 3.4Å; S401-R404 PolarHBondContact O-N 3.27Å; S401-R405 PolarHBondContact O-N 2.9Å; S401-R405 VanDerWaalsContact O-N 3.09Å
402E78.7Confident80.5Confident94 Ų9497.9 Ų97.944%0.43947%0.467SS..Hα-helixtrans-64-44.2174.5-77.2176164.800111.5L398 R399 R404 R405 T406L398-E402 WeakPolarHBondContact O-CG 3.48Å; L398-E402 PolarHBondContact O-N 2.71Å; R399-E402 PolarHBondContact O-N 2.79Å; E402-R404 PolarHBondContact O-N 2.95Å; E402-R405 WeakPolarHBondContact O-CB 3.34Å; E402-R405 PolarHBondContact O-N 3.41Å; E402-R405 VanDerWaalsContact O-N 3.15Å; E402-T406 WeakPolarHBondContact O-CG2 3.41Å; E402-T406 PolarHBondContact O-N 3.49Å; E402-T406 PolarHBondContact O-OG1 3.13Å
403Q83.6Confident80.5Confident110 Ų11094.2 Ų94.251%0.51445%0.452SS..Hα-helixtrans-60.4-43.2175.8-174.363.839.800112.1R399 E400 R405 T406 D407R399-Q403 PolarHBondContact O-N 2.78Å; E400-Q403 PolarHBondContact O-N 2.76Å; Q403-R405 VanDerWaalsContact C-N 3.3Å; Q403-R405 PolarHBondContact O-N 3.16Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.4Å; Q403-T406 PolarHBondContact O-N 3.4Å; Q403-T406 PolarHBondContact O-OG1 2.87Å; Q403-D407 PolarHBondContact NE2-OD1 2.93Å; Q403-D407 VanDerWaalsContact NE2-OD1 3.1Å; Q403-D407 VanDerWaalsContact O-CG 3.25Å; Q403-D407 PolarHBondContact O-N 2.89Å
404R80.1Confident80.7Confident147 Ų14789.8 Ų89.856%0.55544%0.441SS*.Hα-helixtrans-60.8-39.4175.2-73.2-176.4-174.694.30.4112E400 S401 E402 D407 Q408E400-R404 WeakPolarHBondContact O-CG 3.38Å; E400-R404 PolarHBondContact O-N 3.42Å; E400-R404 VanDerWaalsContact O-N 3.09Å; E400-R404 IonicContact OE2-NH1 3.62Å; E400-R404 IonicContact OE2-NH2 3.47Å; S401-R404 PolarHBondContact O-N 3.27Å; E402-R404 PolarHBondContact O-N 2.95Å; R404-D407 PolarHBondContact O-N 3.37Å; R404-Q408 WeakPolarHBondContact O-CG 3.25Å; R404-Q408 PolarHBondContact O-N 3.45Å
405R77.7Confident80.6Confident99 Ų9990 Ų9037%0.37444%0.442SS..Hα-helixtrans-67.7-41.1177.2-170.8-1786294.42.5111.8S401 E402 Q403 D407 Q408 E409 P1597S401-R405 PolarHBondContact O-N 2.9Å; S401-R405 VanDerWaalsContact O-N 3.09Å; E402-R405 WeakPolarHBondContact O-CB 3.34Å; E402-R405 PolarHBondContact O-N 3.41Å; E402-R405 VanDerWaalsContact O-N 3.15Å; Q403-R405 VanDerWaalsContact C-N 3.3Å; Q403-R405 PolarHBondContact O-N 3.16Å; R405-D407 VanDerWaalsContact C-N 3.31Å; R405-D407 PolarHBondContact O-N 2.99Å; R405-Q408 PolarHBondContact O-N 3.27Å; R405-E409 IonicContact CZ-OE1 3.66Å; R405-E409 IonicContact NH1-OE1 3.13Å; R405-E409 PolarHBondContact NH1-OE1 3.45Å; R405-E409 IonicContact NH1-OE2 3.95Å; R405-E409 WeakPolarHBondContact O-CB 3.45Å; R405-E409 WeakPolarHBondContact O-CG 3.47Å; R405-E409 PolarHBondContact O-N 3.37Å; R405-P1597 VanDerWaalsContact CZ-CG 3.44Å
406T76.6Confident80.7Confident38 Ų3891.7 Ų91.723%0.23345%0.446CS..Hα-helixtrans-64.8-36.1176.255.40000112.5E402 Q403 S410E402-T406 WeakPolarHBondContact O-CG2 3.41Å; E402-T406 PolarHBondContact O-N 3.49Å; E402-T406 PolarHBondContact O-OG1 3.13Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.4Å; Q403-T406 PolarHBondContact O-N 3.4Å; Q403-T406 PolarHBondContact O-OG1 2.87Å; T406-S410 WeakPolarHBondContact O-CB 3.46Å; T406-S410 PolarHBondContact O-N 2.93Å
407D83.8Confident80.5Confident85 Ų8589.6 Ų89.646%0.45544%0.442SS..Hα-helixtrans-68.3-43.5176.8-66.3-14000110.7Q403 R404 R405 S410 L411Q403-D407 PolarHBondContact NE2-OD1 2.93Å; Q403-D407 VanDerWaalsContact NE2-OD1 3.1Å; Q403-D407 VanDerWaalsContact O-CG 3.25Å; Q403-D407 PolarHBondContact O-N 2.89Å; R404-D407 PolarHBondContact O-N 3.37Å; R405-D407 VanDerWaalsContact C-N 3.31Å; R405-D407 PolarHBondContact O-N 2.99Å; D407-S410 PolarHBondContact O-N 3.42Å; D407-S410 PolarHBondContact O-OG 3.35Å; D407-L411 PolarHBondContact O-N 2.79Å
408Q75.9Confident80.4Confident136 Ų13691.1 Ų91.164%0.63644%0.442SS*.Hα-helixtrans-62.7-43.2174.7-74.6177.7-5.900112.8R404 R405 S410 L411 A412R404-Q408 WeakPolarHBondContact O-CG 3.25Å; R404-Q408 PolarHBondContact O-N 3.45Å; R405-Q408 PolarHBondContact O-N 3.27Å; Q408-S410 VanDerWaalsContact C-N 3.34Å; Q408-S410 PolarHBondContact O-N 3.45Å; Q408-L411 PolarHBondContact O-N 3.04Å; Q408-A412 PolarHBondContact O-N 3.48Å
409E84.7Confident80.7Confident56 Ų5693.5 Ų93.526%0.26245%0.445SS..Hα-helixtrans-63.3-40.4175.6-75.9169.3-178.400111.3R405 L411 A412 T413 P1597R405-E409 IonicContact CZ-OE1 3.66Å; R405-E409 IonicContact NH1-OE1 3.13Å; R405-E409 PolarHBondContact NH1-OE1 3.45Å; R405-E409 IonicContact NH1-OE2 3.95Å; R405-E409 WeakPolarHBondContact O-CB 3.45Å; R405-E409 WeakPolarHBondContact O-CG 3.47Å; R405-E409 PolarHBondContact O-N 3.37Å; E409-L411 VanDerWaalsContact C-N 3.29Å; E409-L411 PolarHBondContact O-N 2.95Å; E409-A412 PolarHBondContact O-N 3.23Å; E409-T413 PolarHBondContact O-N 2.95Å; E409-T413 PolarHBondContact O-OG1 2.74Å; E409-P1597 WeakPolarHBondContact OE2-CD 3.45Å; E409-P1597 WeakPolarHBondContact OE2-CG 3.39Å
410S79.7Confident80.6Confident47 Ų4789.4 Ų89.433%0.32944%0.435SS..Hα-helixtrans-62.8-36.4175.681.70000112.9T406 D407 Q408 S414T406-S410 WeakPolarHBondContact O-CB 3.46Å; T406-S410 PolarHBondContact O-N 2.93Å; D407-S410 PolarHBondContact O-N 3.42Å; D407-S410 PolarHBondContact O-OG 3.35Å; Q408-S410 VanDerWaalsContact C-N 3.34Å; Q408-S410 PolarHBondContact O-N 3.45Å; S410-S414 WeakPolarHBondContact O-CB 3.31Å; S410-S414 PolarHBondContact O-N 2.92Å; S410-S414 VanDerWaalsContact O-N 3.13Å
411L82.5Confident80.6Confident101 Ų10187.7 Ų87.753%0.52943%0.432SS..Hα-helixtrans-69.2-42.8175.1-178.863.2000111.3D407 Q408 E409 S414 L415D407-L411 PolarHBondContact O-N 2.79Å; Q408-L411 PolarHBondContact O-N 3.04Å; E409-L411 VanDerWaalsContact C-N 3.29Å; E409-L411 PolarHBondContact O-N 2.95Å; L411-S414 PolarHBondContact O-N 3.37Å; L411-L415 HydrophobicContact CG-CD1 4.37Å; L411-L415 WeakPolarHBondContact O-CG 3.42Å; L411-L415 PolarHBondContact O-N 2.88Å
412A77.1Confident80.8Confident43 Ų4386.7 Ų86.736%0.35543%0.428SS..Hα-helixtrans-60.8-49.2176.700000111.6Q408 E409 S414 L415 E416Q408-A412 PolarHBondContact O-N 3.48Å; E409-A412 PolarHBondContact O-N 3.23Å; A412-S414 VanDerWaalsContact C-N 3.27Å; A412-S414 PolarHBondContact O-N 3.03Å; A412-L415 PolarHBondContact O-N 3.43Å; A412-L415 VanDerWaalsContact O-N 3.09Å; A412-E416 WeakPolarHBondContact O-CG 3.36Å; A412-E416 PolarHBondContact O-N 2.81Å
413T82.5Confident80.7Confident34 Ų3486.2 Ų86.221%0.20943%0.425CS..Hα-helixtrans-61.2-36176.5-47.60000111.9E409 Q417 A1592E409-T413 PolarHBondContact O-N 2.95Å; E409-T413 PolarHBondContact O-OG1 2.74Å; T413-Q417 WeakPolarHBondContact O-CB 3.19Å; T413-Q417 VanDerWaalsContact O-CG 3.29Å; T413-Q417 WeakPolarHBondContact O-CG 3.44Å; T413-Q417 PolarHBondContact O-N 2.96Å; T413-A1592 HydrophobicContact CG2-CB 4.12Å
414S85.4Confident80.7Confident39 Ų3986.6 Ų86.627%0.27342%0.422SS..Hα-helixtrans-67.2-35.6175.5-178.10000113S410 L411 A412 R418S410-S414 WeakPolarHBondContact O-CB 3.31Å; S410-S414 PolarHBondContact O-N 2.92Å; S410-S414 VanDerWaalsContact O-N 3.13Å; L411-S414 PolarHBondContact O-N 3.37Å; A412-S414 VanDerWaalsContact C-N 3.27Å; A412-S414 PolarHBondContact O-N 3.03Å; S414-R418 WeakPolarHBondContact O-CG 3.32Å; S414-R418 PolarHBondContact O-N 2.95Å; S414-R418 PolarHBondContact O-NE 3.02Å; S414-R418 PolarHBondContact OG-NH2 2.91Å
415L74.7Confident80.8Confident98 Ų9885.4 Ų85.451%0.51342%0.423SS..Hα-helixtrans-72.4-41.6175.5-73.7170.7000111.4L411 A412 R418 Y419L411-L415 HydrophobicContact CG-CD1 4.37Å; L411-L415 WeakPolarHBondContact O-CG 3.42Å; L411-L415 PolarHBondContact O-N 2.88Å; A412-L415 PolarHBondContact O-N 3.43Å; A412-L415 VanDerWaalsContact O-N 3.09Å; L415-R418 PolarHBondContact O-N 3.47Å; L415-Y419 WeakPolarHBondContact O-CB 3.39Å; L415-Y419 PolarHBondContact O-N 3.44Å
416E82.2Confident81.1Confident100 Ų10084.9 Ų84.947%0.46743%0.427SS..Hα-helixtrans-61.2-43.7174.6-73172.617900111.9A412 R418 Y419 L420A412-E416 WeakPolarHBondContact O-CG 3.36Å; A412-E416 PolarHBondContact O-N 2.81Å; E416-R418 PolarHBondContact O-N 2.92Å; E416-Y419 PolarHBondContact O-N 2.93Å; E416-L420 WeakPolarHBondContact O-CB 3.48Å; E416-L420 PolarHBondContact O-N 2.93Å
417Q81.5Confident81.5Confident92 Ų9287.4 Ų87.443%0.4344%0.439SS..Hα-helixtrans-60.8-43.4174.8-77.5176.5-3.800111.9T413 L420 V421T413-Q417 WeakPolarHBondContact O-CB 3.19Å; T413-Q417 VanDerWaalsContact O-CG 3.29Å; T413-Q417 WeakPolarHBondContact O-CG 3.44Å; T413-Q417 PolarHBondContact O-N 2.96Å; Q417-L420 PolarHBondContact O-N 2.96Å; Q417-V421 WeakPolarHBondContact O-CG2 3.26Å; Q417-V421 PolarHBondContact O-N 3.41Å
418R81.4Confident81.4Confident152 Ų15287.4 Ų87.457%0.57444%0.442SS*.Hα-helixtrans-65-40.2176.7-80.6-175.3-100.1-174.7-8.8112.3S414 L415 E416 V421 A422S414-R418 WeakPolarHBondContact O-CG 3.32Å; S414-R418 PolarHBondContact O-N 2.95Å; S414-R418 PolarHBondContact O-NE 3.02Å; S414-R418 PolarHBondContact OG-NH2 2.91Å; L415-R418 PolarHBondContact O-N 3.47Å; E416-R418 PolarHBondContact O-N 2.92Å; R418-V421 PolarHBondContact O-N 3.37Å; R418-A422 WeakPolarHBondContact O-CB 3.43Å; R418-A422 PolarHBondContact O-N 2.88Å
419Y80.7Confident81.4Confident154 Ų15482.5 Ų82.560%0.60443%0.425SS*.Hα-helixtrans-63.5-43.8175.6-179.1-95.4000111.9L415 E416 A422 Q423L415-Y419 WeakPolarHBondContact O-CB 3.39Å; L415-Y419 PolarHBondContact O-N 3.44Å; E416-Y419 PolarHBondContact O-N 2.93Å; Y419-A422 PolarHBondContact O-N 3.23Å; Y419-Q423 WeakPolarHBondContact O-CB 3.43Å; Y419-Q423 PolarHBondContact O-N 3.28Å
420L82.3Confident81.4Confident82 Ų8282.8 Ų82.843%0.42943%0.426SS..Hα-helixtrans-62.9-41.9176-86156.6000112.9E416 Q417 Q423 R424E416-L420 WeakPolarHBondContact O-CB 3.48Å; E416-L420 PolarHBondContact O-N 2.93Å; Q417-L420 PolarHBondContact O-N 2.96Å; L420-Q423 PolarHBondContact O-N 3.48Å; L420-R424 WeakPolarHBondContact O-CG 3.44Å; L420-R424 PolarHBondContact O-N 3.5Å
421V82.7Confident81.6Confident62 Ų6285.1 Ų85.138%0.37644%0.435SS..Hα-helixtrans-63.5-47.3175.61720000110.4Q417 R418 Q423 R424 E425Q417-V421 WeakPolarHBondContact O-CG2 3.26Å; Q417-V421 PolarHBondContact O-N 3.41Å; R418-V421 PolarHBondContact O-N 3.37Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 2.86Å; V421-R424 PolarHBondContact O-N 3.47Å; V421-E425 HydrophobicContact CG1-CG 4.49Å; V421-E425 WeakPolarHBondContact O-CG 3.25Å; V421-E425 PolarHBondContact O-N 3.38Å
422A82.4Confident81.5Confident52 Ų5286.2 Ų86.243%0.4344%0.439SS..Hα-helixtrans-59.8-37.4176.600000112.4R418 Y419 E425 L426R418-A422 WeakPolarHBondContact O-CB 3.43Å; R418-A422 PolarHBondContact O-N 2.88Å; Y419-A422 PolarHBondContact O-N 3.23Å; A422-E425 PolarHBondContact O-N 2.87Å; A422-L426 WeakPolarHBondContact O-CB 3.1Å; A422-L426 PolarHBondContact O-N 3.44Å
423Q78Confident81.6Confident83 Ų8386.5 Ų86.539%0.38844%0.436SS..Hα-helixtrans-70.8-36.2177.6-167.7158.312.200112.7Y419 L420 V421 L426 N427Y419-Q423 WeakPolarHBondContact O-CB 3.43Å; Y419-Q423 PolarHBondContact O-N 3.28Å; L420-Q423 PolarHBondContact O-N 3.48Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 2.86Å; Q423-L426 PolarHBondContact O-N 3.03Å; Q423-N427 VanDerWaalsContact O-CG 3.29Å; Q423-N427 PolarHBondContact O-N 2.99Å
424R83.5Confident81.7Confident118 Ų11887.9 Ų87.945%0.44544%0.442SS..Hα-helixtrans-65.6-43171.8-71.4174.7-176.6163.50.2111.4L420 V421 L426 N427 T428 D1585L420-R424 WeakPolarHBondContact O-CG 3.44Å; L420-R424 PolarHBondContact O-N 3.5Å; V421-R424 PolarHBondContact O-N 3.47Å; R424-L426 VanDerWaalsContact C-N 3.34Å; R424-N427 PolarHBondContact O-N 3.32Å; R424-T428 WeakPolarHBondContact O-CG2 3.42Å; R424-T428 PolarHBondContact O-N 3.47Å; R424-T428 PolarHBondContact O-OG1 3.44Å; R424-D1585 IonicContact CZ-OD1 3.55Å; R424-D1585 IonicContact NH1-OD1 3.28Å; R424-D1585 PolarHBondContact NH1-OD1 2.97Å
425E81.4Confident81.6Confident123 Ų12392.7 Ų92.758%0.57546%0.458SS*.Hα-helixtrans-61.9-42.1175.8-72.3174.5176.400111.3V421 A422 T428 A429V421-E425 HydrophobicContact CG1-CG 4.49Å; V421-E425 WeakPolarHBondContact O-CG 3.25Å; V421-E425 PolarHBondContact O-N 3.38Å; A422-E425 PolarHBondContact O-N 2.87Å; E425-T428 PolarHBondContact O-N 2.85Å; E425-T428 PolarHBondContact O-OG1 2.79Å; E425-A429 WeakPolarHBondContact O-CB 3.29Å; E425-A429 PolarHBondContact O-N 3.17Å
426L84.6Confident81.8Confident88 Ų8893.2 Ų93.246%0.46146%0.461SS..Hα-helixtrans-60.9-46.4174.1-177.664.3000112A422 Q423 R424 A429 Q430A422-L426 WeakPolarHBondContact O-CB 3.1Å; A422-L426 PolarHBondContact O-N 3.44Å; Q423-L426 PolarHBondContact O-N 3.03Å; R424-L426 VanDerWaalsContact C-N 3.34Å; L426-A429 PolarHBondContact O-N 2.89Å; L426-Q430 WeakPolarHBondContact O-CB 3.4Å; L426-Q430 PolarHBondContact O-N 2.89Å
427N84.6Confident81.8Confident91 Ų9192.6 Ų92.649%0.48745%0.454SS..Hα-helixtrans-64.2-42.9178.5-72.1-7.3000112Q423 R424 A429 Q430 D431Q423-N427 VanDerWaalsContact O-CG 3.29Å; Q423-N427 PolarHBondContact O-N 2.99Å; R424-N427 PolarHBondContact O-N 3.32Å; N427-A429 VanDerWaalsContact C-N 3.32Å; N427-A429 PolarHBondContact O-N 3.44Å; N427-Q430 WeakPolarHBondContact O-CB 3.48Å; N427-Q430 PolarHBondContact O-N 3.33Å; N427-D431 PolarHBondContact O-N 2.9Å
428T82.4Confident81.9Confident85 Ų8591.2 Ų91.252%0.52146%0.459SS..Hα-helixtrans-66-34.8177580000112.4R424 E425 M432R424-T428 WeakPolarHBondContact O-CG2 3.42Å; R424-T428 PolarHBondContact O-N 3.47Å; R424-T428 PolarHBondContact O-OG1 3.44Å; E425-T428 PolarHBondContact O-N 2.85Å; E425-T428 PolarHBondContact O-OG1 2.79Å; T428-M432 WeakPolarHBondContact O-CG 3.48Å; T428-M432 PolarHBondContact O-N 3.13Å; T428-M432 VanDerWaalsContact O-N 3.13Å
429A74.5Confident82Confident32 Ų3289.8 Ų89.826%0.26446%0.459SS..Hα-helixtrans-67.4-36.9172.200000112.2E425 L426 N427 M432 T433E425-A429 WeakPolarHBondContact O-CB 3.29Å; E425-A429 PolarHBondContact O-N 3.17Å; L426-A429 PolarHBondContact O-N 2.89Å; N427-A429 VanDerWaalsContact C-N 3.32Å; N427-A429 PolarHBondContact O-N 3.44Å; A429-M432 PolarHBondContact O-N 3.31Å; A429-T433 WeakPolarHBondContact O-CB 3.44Å; A429-T433 PolarHBondContact O-N 2.96Å; A429-T433 PolarHBondContact O-OG1 3.46Å
430Q84.7Confident81.8Confident63 Ų6388.4 Ų88.429%0.29446%0.461SS..Hα-helixtrans-65.4-46.9174.8-174.858.331.700111.3L426 N427 M432 T433 D434L426-Q430 WeakPolarHBondContact O-CB 3.4Å; L426-Q430 PolarHBondContact O-N 2.89Å; N427-Q430 WeakPolarHBondContact O-CB 3.48Å; N427-Q430 PolarHBondContact O-N 3.33Å; Q430-M432 VanDerWaalsContact C-N 3.31Å; Q430-M432 PolarHBondContact O-N 2.92Å; Q430-T433 CarbonylContact O-C 3.57Å; Q430-T433 WeakPolarHBondContact O-CA 3.28Å; Q430-T433 WeakPolarHBondContact O-CB 3.29Å; Q430-T433 PolarHBondContact O-N 3.21Å; Q430-D434 PolarHBondContact NE2-OD1 3.19Å; Q430-D434 PolarHBondContact NE2-OD2 3.09Å; Q430-D434 PolarHBondContact O-N 3.35Å
431D84.4Confident81.8Confident95 Ų9587.1 Ų87.151%0.50846%0.462SS..Hα-helixtrans-58.9-40.6176-74.2-14000112.4N427 T433 D434 K435N427-D431 PolarHBondContact O-N 2.9Å; D431-T433 VanDerWaalsContact C-N 3.35Å; D431-D434 PolarHBondContact O-N 3.29Å; D431-K435 WeakPolarHBondContact O-CG 3.26Å; D431-K435 PolarHBondContact O-N 3.17Å
432M81.4Confident82Confident125 Ų12590.4 Ų90.462%0.61647%0.472SS*.Hα-helixtrans-66.8-37.8174.5-70.9-140.9-63.200112T428 A429 Q430 D434 K435 L436T428-M432 WeakPolarHBondContact O-CG 3.48Å; T428-M432 PolarHBondContact O-N 3.13Å; T428-M432 VanDerWaalsContact O-N 3.13Å; A429-M432 PolarHBondContact O-N 3.31Å; Q430-M432 VanDerWaalsContact C-N 3.31Å; Q430-M432 PolarHBondContact O-N 2.92Å; M432-D434 VanDerWaalsContact C-N 3.32Å; M432-K435 PolarHBondContact O-N 3.42Å; M432-L436 WeakPolarHBondContact O-CG 3.42Å; M432-L436 PolarHBondContact O-N 2.94Å
433T79.3Confident81.9Confident48 Ų4894 Ų9429%0.29448%0.478SS..Hα-helixtrans-63.9-40175.6-58.80000111A429 Q430 D431 L436 R437A429-T433 WeakPolarHBondContact O-CB 3.44Å; A429-T433 PolarHBondContact O-N 2.96Å; A429-T433 PolarHBondContact O-OG1 3.46Å; Q430-T433 CarbonylContact O-C 3.57Å; Q430-T433 WeakPolarHBondContact O-CA 3.28Å; Q430-T433 WeakPolarHBondContact O-CB 3.29Å; Q430-T433 PolarHBondContact O-N 3.21Å; D431-T433 VanDerWaalsContact C-N 3.35Å; T433-L436 PolarHBondContact O-N 2.92Å; T433-R437 WeakPolarHBondContact O-CB 3.35Å; T433-R437 PolarHBondContact O-N 3.16Å
434D83.1Confident82.1Confident64 Ų6493.4 Ų93.434%0.34248%0.483SS..Hα-helixtrans-70-38.6178.6-65.5-18.8000111.8Q430 D431 M432 R437 A438Q430-D434 PolarHBondContact NE2-OD1 3.19Å; Q430-D434 PolarHBondContact NE2-OD2 3.09Å; Q430-D434 PolarHBondContact O-N 3.35Å; D431-D434 PolarHBondContact O-N 3.29Å; M432-D434 VanDerWaalsContact C-N 3.32Å; D434-R437 PolarHBondContact O-N 3.45Å; D434-R437 IonicContact OD1-CZ 3.28Å; D434-R437 IonicContact OD1-NH1 3.31Å; D434-R437 PolarHBondContact OD1-NH1 3.23Å; D434-A438 WeakPolarHBondContact O-CB 3.34Å; D434-A438 PolarHBondContact O-N 3.45Å
435K84.6Confident82.2Confident139 Ų13991.4 Ų91.460%0.60448%0.484SS*.Hα-helixtrans-60.3-47170.6-75174.3-174.9173.20112.1D431 M432 R437 A438 E439D431-K435 WeakPolarHBondContact O-CG 3.26Å; D431-K435 PolarHBondContact O-N 3.17Å; M432-K435 PolarHBondContact O-N 3.42Å; K435-R437 VanDerWaalsContact C-N 3.31Å; K435-R437 PolarHBondContact O-N 2.86Å; K435-A438 PolarHBondContact O-N 2.85Å; K435-E439 PolarHBondContact O-N 3Å
436L77.9Confident82.1Confident110 Ų11089.4 Ų89.458%0.57648%0.475SS*.Hα-helixtrans-63.6-37.7176.8-72171.9000111.6M432 T433 E439 L440M432-L436 WeakPolarHBondContact O-CG 3.42Å; M432-L436 PolarHBondContact O-N 2.94Å; T433-L436 PolarHBondContact O-N 2.92Å; L436-E439 PolarHBondContact O-N 3.41Å; L436-L440 VanDerWaalsContact O-CB 3.32Å; L436-L440 WeakPolarHBondContact O-CB 3.32Å; L436-L440 PolarHBondContact O-N 2.79Å
437R82.2Confident82Confident86 Ų8690 Ų9033%0.32548%0.477SS..Hα-helixtrans-64.4-41.6174.9-164.2-176.8-67.5105.1-0.3111.4T433 D434 K435 L440 A441T433-R437 WeakPolarHBondContact O-CB 3.35Å; T433-R437 PolarHBondContact O-N 3.16Å; D434-R437 PolarHBondContact O-N 3.45Å; D434-R437 IonicContact OD1-CZ 3.28Å; D434-R437 IonicContact OD1-NH1 3.31Å; D434-R437 PolarHBondContact OD1-NH1 3.23Å; K435-R437 VanDerWaalsContact C-N 3.31Å; K435-R437 PolarHBondContact O-N 2.86Å; R437-L440 PolarHBondContact O-N 3.48Å; R437-A441 WeakPolarHBondContact O-CB 3.38Å; R437-A441 PolarHBondContact O-N 3.3Å
438A84Confident82.1Confident64 Ų6492 Ų9253%0.52948%0.482SS..Hα-helixtrans-65.4-42.2175.300000112.3D434 K435 L440 A441 F442D434-A438 WeakPolarHBondContact O-CB 3.34Å; D434-A438 PolarHBondContact O-N 3.45Å; K435-A438 PolarHBondContact O-N 2.85Å; A438-L440 VanDerWaalsContact C-N 3.34Å; A438-A441 PolarHBondContact O-N 3.32Å; A438-F442 WeakPolarHBondContact O-CB 3.45Å; A438-F442 PolarHBondContact O-N 3.1Å
439E82.5Confident82Confident122 Ų12293.9 Ų93.957%0.5749%0.485SS*.Hα-helixtrans-62.7-40.5174-76.2-177.6-169.300111.9K435 L436 F442 K443K435-E439 PolarHBondContact O-N 3Å; L436-E439 PolarHBondContact O-N 3.41Å; E439-F442 PolarHBondContact O-N 2.9Å; E439-K443 WeakPolarHBondContact O-CB 3.41Å; E439-K443 VanDerWaalsContact O-CG 3.27Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.42Å
440L77.1Confident82.2Confident124 Ų12497 Ų9765%0.64949%0.494SS*.Hα-helixtrans-66.7-41.4177.5-154.2159.5000111.2L436 R437 A438 K443 S444L436-L440 VanDerWaalsContact O-CB 3.32Å; L436-L440 WeakPolarHBondContact O-CB 3.32Å; L436-L440 PolarHBondContact O-N 2.79Å; R437-L440 PolarHBondContact O-N 3.48Å; A438-L440 VanDerWaalsContact C-N 3.34Å; L440-K443 PolarHBondContact O-N 2.91Å; L440-S444 WeakPolarHBondContact O-CB 3.39Å; L440-S444 PolarHBondContact O-N 2.9Å
441A83.4Confident82.3Confident55 Ų5598.5 Ų98.546%0.45550%0.501SS..Hα-helixtrans-62.1-42.4172.500000112R437 A438 K443 S444 T445R437-A441 WeakPolarHBondContact O-CB 3.38Å; R437-A441 PolarHBondContact O-N 3.3Å; A438-A441 PolarHBondContact O-N 3.32Å; A441-K443 PolarHBondContact O-N 3.08Å; A441-S444 PolarHBondContact O-N 2.82Å; A441-T445 WeakPolarHBondContact O-CG2 3.48Å; A441-T445 PolarHBondContact O-N 3.2Å; A441-T445 PolarHBondContact O-OG1 3.47Å
442F85.6Confident82.3Confident132 Ų13299.7 Ų99.758%0.57950%0.503SS*.Hα-helixtrans-62.2-42173.9-178.4-98000111.9A438 E439 T445 Q446A438-F442 WeakPolarHBondContact O-CB 3.45Å; A438-F442 PolarHBondContact O-N 3.1Å; E439-F442 PolarHBondContact O-N 2.9Å; F442-T445 PolarHBondContact O-N 3.28Å; F442-T445 PolarHBondContact O-OG1 2.9Å; F442-Q446 WeakPolarHBondContact O-CB 3.47Å; F442-Q446 PolarHBondContact O-N 2.99Å
443K81.5Confident82.3Confident128 Ų12899.5 Ų99.556%0.55750%0.499SS*.Hα-helixtrans-66.3-38.6175.7-71.8-70.5179-1760112.7E439 L440 A441 Q446 L447E439-K443 WeakPolarHBondContact O-CB 3.41Å; E439-K443 VanDerWaalsContact O-CG 3.27Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.42Å; L440-K443 PolarHBondContact O-N 2.91Å; A441-K443 PolarHBondContact O-N 3.08Å; K443-Q446 PolarHBondContact O-N 2.66Å; K443-L447 WeakPolarHBondContact O-CB 3.24Å; K443-L447 PolarHBondContact O-N 3.46Å
444S81.3Confident82.4Confident70 Ų70101.5 Ų101.549%0.4951%0.511SS..Hα-helixtrans-63.8-45.6175.3176.40000111.8L440 A441 Q446 L447 K448L440-S444 WeakPolarHBondContact O-CB 3.39Å; L440-S444 PolarHBondContact O-N 2.9Å; A441-S444 PolarHBondContact O-N 2.82Å; S444-Q446 PolarHBondContact O-N 3.21Å; S444-L447 PolarHBondContact O-N 3.14Å; S444-K448 PolarHBondContact O-N 2.93Å
445T86.1Confident82.5Confident76 Ų76105.5 Ų105.547%0.46652%0.522SS..Hα-helixtrans-64.1-39.4175.155.70000112.4A441 F442 L447 K448 Q449A441-T445 WeakPolarHBondContact O-CG2 3.48Å; A441-T445 PolarHBondContact O-N 3.2Å; A441-T445 PolarHBondContact O-OG1 3.47Å; F442-T445 PolarHBondContact O-N 3.28Å; F442-T445 PolarHBondContact O-OG1 2.9Å; T445-L447 VanDerWaalsContact C-N 3.34Å; T445-L447 PolarHBondContact O-N 3.33Å; T445-K448 PolarHBondContact O-N 3.36Å; T445-Q449 WeakPolarHBondContact O-CG 3.4Å; T445-Q449 PolarHBondContact O-N 3.49Å
446Q79.7Confident82.5Confident81 Ų81102 Ų10238%0.37951%0.512SS..Hα-helixtrans-61.4-41.2173.6-177.417352.200112F442 K443 S444 Q449 Q450F442-Q446 WeakPolarHBondContact O-CB 3.47Å; F442-Q446 PolarHBondContact O-N 2.99Å; K443-Q446 PolarHBondContact O-N 2.66Å; S444-Q446 PolarHBondContact O-N 3.21Å; Q446-Q449 PolarHBondContact O-N 3.04Å; Q446-Q450 WeakPolarHBondContact O-CG 3.25Å; Q446-Q450 PolarHBondContact O-N 3.17Å
447L81.2Confident82.6Confident99 Ų99102.1 Ų102.152%0.51851%0.512SS..Hα-helixtrans-67.7-43.4178.4-168.7137.3000111.4K443 S444 T445 Q449 Q450 E451K443-L447 WeakPolarHBondContact O-CB 3.24Å; K443-L447 PolarHBondContact O-N 3.46Å; S444-L447 PolarHBondContact O-N 3.14Å; T445-L447 VanDerWaalsContact C-N 3.34Å; T445-L447 PolarHBondContact O-N 3.33Å; L447-Q449 VanDerWaalsContact C-N 3.3Å; L447-Q449 PolarHBondContact O-N 3.11Å; L447-Q450 CarbonylContact O-C 3.26Å; L447-Q450 WeakPolarHBondContact O-CA 3.44Å; L447-Q450 WeakPolarHBondContact O-CB 3.44Å; L447-Q450 PolarHBondContact O-N 2.7Å; L447-E451 HydrophobicContact CD2-CG 4.08Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.42Å; L447-E451 WeakPolarHBondContact O-CG 3.37Å; L447-E451 PolarHBondContact O-N 3.22Å
448K86.3Confident82.8Confident133 Ų133102.6 Ų102.658%0.57852%0.518SS*.Hα-helixtrans-59.1-39.1175.5-147.2175.2-170.6175.70112.4S444 T445 Q450 E451 E452S444-K448 PolarHBondContact O-N 2.93Å; T445-K448 PolarHBondContact O-N 3.36Å; K448-Q450 VanDerWaalsContact C-N 3.33Å; K448-Q450 PolarHBondContact O-N 3.48Å; K448-E451 PolarHBondContact O-N 3.16Å; K448-E452 WeakPolarHBondContact O-CB 3.42Å; K448-E452 PolarHBondContact O-N 3.43Å
449Q80.3Confident82.9Confident125 Ų125104.5 Ų104.558%0.58452%0.518SS*.Hα-helixtrans-65.1-33173-73.41783.600113T445 Q446 L447 K453T445-Q449 WeakPolarHBondContact O-CG 3.4Å; T445-Q449 PolarHBondContact O-N 3.49Å; Q446-Q449 PolarHBondContact O-N 3.04Å; L447-Q449 VanDerWaalsContact C-N 3.3Å; L447-Q449 PolarHBondContact O-N 3.11Å; Q449-K453 WeakPolarHBondContact O-CG 3.26Å; Q449-K453 PolarHBondContact O-N 2.92Å
450Q80.5Confident83Confident99 Ų99104.5 Ų104.546%0.46352%0.517SS..Hα-helixtrans-74.5-41.4174.7-65-66.6-0.200111.4Q446 L447 K448 E452 K453 V454Q446-Q450 WeakPolarHBondContact O-CG 3.25Å; Q446-Q450 PolarHBondContact O-N 3.17Å; L447-Q450 CarbonylContact O-C 3.26Å; L447-Q450 WeakPolarHBondContact O-CA 3.44Å; L447-Q450 WeakPolarHBondContact O-CB 3.44Å; L447-Q450 PolarHBondContact O-N 2.7Å; K448-Q450 VanDerWaalsContact C-N 3.33Å; K448-Q450 PolarHBondContact O-N 3.48Å; Q450-E452 VanDerWaalsContact C-N 3.29Å; Q450-E452 PolarHBondContact O-N 3.3Å; Q450-K453 WeakPolarHBondContact O-CB 3.41Å; Q450-K453 PolarHBondContact O-N 3.3Å; Q450-V454 WeakPolarHBondContact O-CG2 3.31Å; Q450-V454 PolarHBondContact O-N 2.95Å
451E85Confident83.1Confident93 Ų93103.2 Ų103.244%0.43551%0.51SS..Hα-helixtrans-59.3-38.7173.5-70175.6160.800112L447 K448 V454 R455L447-E451 HydrophobicContact CD2-CG 4.08Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.42Å; L447-E451 WeakPolarHBondContact O-CG 3.37Å; L447-E451 PolarHBondContact O-N 3.22Å; K448-E451 PolarHBondContact O-N 3.16Å; E451-V454 PolarHBondContact O-N 3.33Å; E451-R455 PolarHBondContact O-N 3.47Å
452E84.8Confident83.3Confident120 Ų120103.6 Ų103.656%0.56150%0.504SS*.Hα-helixtrans-71.3-34.7176.5-171.2156.5-166.100112.8K448 Q450 R455 T456K448-E452 WeakPolarHBondContact O-CB 3.42Å; K448-E452 PolarHBondContact O-N 3.43Å; Q450-E452 VanDerWaalsContact C-N 3.29Å; Q450-E452 PolarHBondContact O-N 3.3Å; E452-R455 PolarHBondContact O-N 3.23Å; E452-T456 WeakPolarHBondContact O-CB 3.26Å; E452-T456 PolarHBondContact O-N 3.25Å; E452-T456 PolarHBondContact O-OG1 3.29Å
453K82Confident83.2Confident121 Ų121100.3 Ų100.353%0.52650%0.495SS..Hα-helixtrans-63.1-43.6169.1-78.2176.2-176.9174.10111.8Q449 Q450 T456 L457Q449-K453 WeakPolarHBondContact O-CG 3.26Å; Q449-K453 PolarHBondContact O-N 2.92Å; Q450-K453 WeakPolarHBondContact O-CB 3.41Å; Q450-K453 PolarHBondContact O-N 3.3Å; K453-T456 PolarHBondContact O-N 2.93Å; K453-L457 WeakPolarHBondContact O-CG 3.47Å; K453-L457 PolarHBondContact O-N 3.05Å
454V82.2Confident83Confident91 Ų9198.3 Ų98.355%0.55249%0.494SS*.Hα-helixtrans-61.6-46.9175.8171.70000110.1Q450 E451 T456 L457 Q458Q450-V454 WeakPolarHBondContact O-CG2 3.31Å; Q450-V454 PolarHBondContact O-N 2.95Å; E451-V454 PolarHBondContact O-N 3.33Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.2Å; V454-L457 PolarHBondContact O-N 3.39Å; V454-L457 VanDerWaalsContact O-N 3.14Å; V454-Q458 PolarHBondContact O-N 2.85Å
455R85.2Confident82.9Confident148 Ų14898 Ų9856%0.55848%0.484SS*.Hα-helixtrans-58.8-41.4174.1-79.8-168.5-85.1-179.6-7.4113E451 E452 L457 Q458 I459E451-R455 PolarHBondContact O-N 3.47Å; E452-R455 PolarHBondContact O-N 3.23Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-L457 PolarHBondContact O-N 3.49Å; R455-Q458 PolarHBondContact O-N 2.89Å; R455-I459 WeakPolarHBondContact O-CG1 3.01Å; R455-I459 PolarHBondContact O-N 2.9Å
456T82.8Confident82.7Confident65 Ų6599.1 Ų99.140%0.39949%0.487SS..Hα-helixtrans-64.8-38176.5-55.60000111.8E452 K453 V454 K460E452-T456 WeakPolarHBondContact O-CB 3.26Å; E452-T456 PolarHBondContact O-N 3.25Å; E452-T456 PolarHBondContact O-OG1 3.29Å; K453-T456 PolarHBondContact O-N 2.93Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.2Å; T456-K460 VanDerWaalsContact O-CG 3.32Å; T456-K460 WeakPolarHBondContact O-CG 3.3Å; T456-K460 PolarHBondContact O-N 3.32Å; T456-K460 VanDerWaalsContact O-N 3.14Å
457L81.8Confident82.6Confident113 Ų113100.1 Ų100.159%0.59250%0.495SS*.Hα-helixtrans-69.9-37.7175.6-71.5172.1000111.6K453 V454 R455 K460 L461K453-L457 WeakPolarHBondContact O-CG 3.47Å; K453-L457 PolarHBondContact O-N 3.05Å; V454-L457 PolarHBondContact O-N 3.39Å; V454-L457 VanDerWaalsContact O-N 3.14Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-L457 PolarHBondContact O-N 3.49Å; L457-K460 PolarHBondContact O-N 3.34Å; L457-L461 PolarHBondContact O-N 2.97Å
458Q85Confident82.1Confident96 Ų96100.7 Ų100.745%0.44950%0.498SS..Hα-helixtrans-62.2-51.3174.5-169.563.348.400111V454 R455 K460 L461 D462V454-Q458 PolarHBondContact O-N 2.85Å; R455-Q458 PolarHBondContact O-N 2.89Å; Q458-K460 PolarHBondContact O-N 3.3Å; Q458-L461 WeakPolarHBondContact O-CA 3.48Å; Q458-L461 VanDerWaalsContact O-CB 3.3Å; Q458-L461 WeakPolarHBondContact O-CB 3.26Å; Q458-L461 PolarHBondContact O-N 3.26Å; Q458-D462 PolarHBondContact NE2-OD1 3.19Å; Q458-D462 PolarHBondContact O-N 2.91Å; Q458-D462 VanDerWaalsContact O-OD1 3.14Å
459I86.5Confident81.5Confident103 Ų10398 Ų9853%0.52849%0.49SS..Hα-helixtrans-56.5-39.3176.4-67.2164.6000111.1R455 D462 T463R455-I459 WeakPolarHBondContact O-CG1 3.01Å; R455-I459 PolarHBondContact O-N 2.9Å; I459-D462 PolarHBondContact O-N 3.41Å; I459-T463 HydrophobicContact CG2-CG2 4.45Å; I459-T463 VanDerWaalsContact O-CG2 3.3Å; I459-T463 WeakPolarHBondContact O-CG2 3.38Å; I459-T463 PolarHBondContact O-N 2.99Å; I459-T463 PolarHBondContact O-OG1 3.47Å
460K83.9Confident81Confident123 Ų12397.7 Ų97.754%0.53549%0.488SS..Hα-helixtrans-65.9-39.3176-77176.8-179.3-1770112.5T456 L457 Q458 T463 V464T456-K460 VanDerWaalsContact O-CG 3.32Å; T456-K460 WeakPolarHBondContact O-CG 3.3Å; T456-K460 PolarHBondContact O-N 3.32Å; T456-K460 VanDerWaalsContact O-N 3.14Å; L457-K460 PolarHBondContact O-N 3.34Å; Q458-K460 PolarHBondContact O-N 3.3Å; K460-T463 VanDerWaalsContact CA-OG1 3.32Å; K460-T463 WeakPolarHBondContact CA-OG1 3.43Å; K460-T463 PolarHBondContact O-OG1 3Å; K460-V464 VanDerWaalsContact O-CG2 3.28Å; K460-V464 WeakPolarHBondContact O-CG2 3.44Å; K460-V464 PolarHBondContact O-N 3.18Å
461L80.5Confident80.4Confident96 Ų9696 Ų9650%0.50349%0.488SS..Hα-helixtrans-61.9-51175.2-174.166.3000109.8L457 Q458 T463 V464 E465L457-L461 PolarHBondContact O-N 2.97Å; Q458-L461 WeakPolarHBondContact O-CA 3.48Å; Q458-L461 VanDerWaalsContact O-CB 3.3Å; Q458-L461 WeakPolarHBondContact O-CB 3.26Å; Q458-L461 PolarHBondContact O-N 3.26Å; L461-T463 VanDerWaalsContact C-N 3.32Å; L461-T463 PolarHBondContact O-N 3.45Å; L461-V464 PolarHBondContact O-N 3.37Å; L461-E465 WeakPolarHBondContact O-CB 3.34Å; L461-E465 PolarHBondContact O-N 3.01Å
462D86.5Confident79.3Confident64 Ų6499.4 Ų99.434%0.34250%0.496SS..Hα-helixtrans-58.1-43.2178.3-52.6-13.5000110.8Q458 I459 V464 E465 D466Q458-D462 PolarHBondContact NE2-OD1 3.19Å; Q458-D462 PolarHBondContact O-N 2.91Å; Q458-D462 VanDerWaalsContact O-OD1 3.14Å; I459-D462 PolarHBondContact O-N 3.41Å; D462-V464 PolarHBondContact O-N 3.36Å; D462-E465 PolarHBondContact O-N 3.03Å; D462-D466 WeakPolarHBondContact O-CB 3.4Å; D462-D466 PolarHBondContact O-N 3.38Å
463T84Confident78.1Confident63 Ų6396.9 Ų96.939%0.38749%0.492SS..Hα-helixtrans-65.6-34.617654.30000113.6I459 K460 L461 D467I459-T463 HydrophobicContact CG2-CG2 4.45Å; I459-T463 VanDerWaalsContact O-CG2 3.3Å; I459-T463 WeakPolarHBondContact O-CG2 3.38Å; I459-T463 PolarHBondContact O-N 2.99Å; I459-T463 PolarHBondContact O-OG1 3.47Å; K460-T463 VanDerWaalsContact CA-OG1 3.32Å; K460-T463 WeakPolarHBondContact CA-OG1 3.43Å; K460-T463 PolarHBondContact O-OG1 3Å; L461-T463 VanDerWaalsContact C-N 3.32Å; L461-T463 PolarHBondContact O-N 3.45Å; T463-D467 WeakPolarHBondContact O-CB 3.4Å; T463-D467 VanDerWaalsContact O-CG 3.26Å; T463-D467 PolarHBondContact O-N 3.49Å
464V77.5Confident76.8Confident86 Ų8696.6 Ų96.652%0.52150%0.496SS..Hα-helixtrans-71.8-37.1176.6167.90000110K460 L461 D462 D467 L468K460-V464 VanDerWaalsContact O-CG2 3.28Å; K460-V464 WeakPolarHBondContact O-CG2 3.44Å; K460-V464 PolarHBondContact O-N 3.18Å; L461-V464 PolarHBondContact O-N 3.37Å; D462-V464 PolarHBondContact O-N 3.36Å; V464-D467 PolarHBondContact O-N 3.14Å; V464-L468 VanDerWaalsContact O-CB 3.23Å; V464-L468 WeakPolarHBondContact O-CB 3.47Å; V464-L468 PolarHBondContact O-N 3.3Å
465E79.3Confident75.3Confident63 Ų6395.4 Ų95.429%0.29449%0.491SS..Hα-helixtrans-65.1-45.7174.8-166.5147.1-144.900110.9L461 D462 L468 L469L461-E465 WeakPolarHBondContact O-CB 3.34Å; L461-E465 PolarHBondContact O-N 3.01Å; D462-E465 PolarHBondContact O-N 3.03Å; E465-L468 CarbonylContact O-C 3.59Å; E465-L468 PolarHBondContact O-N 3.46Å; E465-L468 VanDerWaalsContact O-N 3.16Å; E465-L469 WeakPolarHBondContact O-CB 3.45Å; E465-L469 WeakPolarHBondContact O-CG 3.43Å; E465-L469 PolarHBondContact O-N 3.01Å
466D81.6Confident73.5Confident99 Ų9992 Ų9253%0.52949%0.485SS..Hα-helixtrans-58.9-46.8171.9-81.4-23.5000112.4D462 L468 L469 Q470D462-D466 WeakPolarHBondContact O-CB 3.4Å; D462-D466 PolarHBondContact O-N 3.38Å; D466-L468 VanDerWaalsContact C-N 3.26Å; D466-L468 PolarHBondContact O-N 3.48Å; D466-L469 PolarHBondContact O-N 3.47Å; D466-Q470 VanDerWaalsContact O-CB 3.27Å; D466-Q470 WeakPolarHBondContact O-CB 3.3Å; D466-Q470 PolarHBondContact O-N 2.85Å
467D78.3Confident72Confident103 Ų10394.9 Ų94.955%0.55149%0.493SS*.Hα-helixtrans-62.7-35.1176.3-79.4-16.5000111.4T463 V464 S471T463-D467 WeakPolarHBondContact O-CB 3.4Å; T463-D467 VanDerWaalsContact O-CG 3.26Å; T463-D467 PolarHBondContact O-N 3.49Å; V464-D467 PolarHBondContact O-N 3.14Å; D467-S471 WeakPolarHBondContact O-CB 3.46Å; D467-S471 PolarHBondContact O-N 3.36Å; D467-S471 PolarHBondContact O-OG 3.39Å
468L71Confident70.3Confident110 Ų11098.2 Ų98.258%0.57650%0.503SS*.Hα-helixtrans-73.8-38.8178.2-156.8139.7000111.4V464 E465 D466 S471 R472V464-L468 VanDerWaalsContact O-CB 3.23Å; V464-L468 WeakPolarHBondContact O-CB 3.47Å; V464-L468 PolarHBondContact O-N 3.3Å; E465-L468 CarbonylContact O-C 3.59Å; E465-L468 PolarHBondContact O-N 3.46Å; E465-L468 VanDerWaalsContact O-N 3.16Å; D466-L468 VanDerWaalsContact C-N 3.26Å; D466-L468 PolarHBondContact O-N 3.48Å; L468-S471 WeakPolarHBondContact CA-OG 3.45Å; L468-S471 PolarHBondContact O-OG 3.05Å; L468-R472 VanDerWaalsContact O-CB 3.27Å; L468-R472 WeakPolarHBondContact O-CB 3.32Å; L468-R472 PolarHBondContact O-N 3.41Å
469L72Confident68.4Low76 Ų7698.2 Ų98.240%0.39851%0.506SS..Hα-helixtrans-66.3-41.3170.8-72.7172.4000111.5E465 D466 R472 S473E465-L469 WeakPolarHBondContact O-CB 3.45Å; E465-L469 WeakPolarHBondContact O-CG 3.43Å; E465-L469 PolarHBondContact O-N 3.01Å; D466-L469 PolarHBondContact O-N 3.47Å; L469-R472 PolarHBondContact O-N 3.28Å; L469-S473 WeakPolarHBondContact O-CB 3.39Å; L469-S473 PolarHBondContact O-N 3.09Å
470Q70.6Confident66.4Low119 Ų11997.6 Ų97.656%0.55651%0.507SS*.Hα-helixtrans-64.6-44.1176.8-168.3174.535.900111D466 R472 S473 L474D466-Q470 VanDerWaalsContact O-CB 3.27Å; D466-Q470 WeakPolarHBondContact O-CB 3.3Å; D466-Q470 PolarHBondContact O-N 2.85Å; Q470-R472 VanDerWaalsContact C-N 3.35Å; Q470-S473 PolarHBondContact O-N 2.9Å; Q470-S473 PolarHBondContact O-OG 3.23Å; Q470-L474 WeakPolarHBondContact O-CG 3.36Å; Q470-L474 PolarHBondContact O-N 3.17Å
471S66.8Low64.4Low65 Ų65100.3 Ų100.346%0.45552%0.519SS..Hα-helixtrans-66.7-34.3174.758.80000112.6D467 L468 L474 S475D467-S471 WeakPolarHBondContact O-CB 3.46Å; D467-S471 PolarHBondContact O-N 3.36Å; D467-S471 PolarHBondContact O-OG 3.39Å; L468-S471 WeakPolarHBondContact CA-OG 3.45Å; L468-S471 PolarHBondContact O-OG 3.05Å; S471-L474 PolarHBondContact O-N 3.24Å; S471-S475 WeakPolarHBondContact O-CB 3.49Å; S471-S475 PolarHBondContact O-N 2.87Å
472R63.3Low62.5Low163 Ų163100.1 Ų100.162%0.61553%0.526SS*.Hα-helixtrans-65.3-39.7171-165.4172.6-175.4-178.9-0.3111.8L468 L469 Q470 S475 N476L468-R472 VanDerWaalsContact O-CB 3.27Å; L468-R472 WeakPolarHBondContact O-CB 3.32Å; L468-R472 PolarHBondContact O-N 3.41Å; L469-R472 PolarHBondContact O-N 3.28Å; Q470-R472 VanDerWaalsContact C-N 3.35Å; R472-S475 PolarHBondContact O-N 2.88Å; R472-N476 WeakPolarHBondContact O-CB 3.41Å; R472-N476 PolarHBondContact O-N 3.47Å; R472-N476 PolarHBondContact O-ND2 3.25Å
473S59.3Low60.4Low67 Ų67103.5 Ų103.547%0.46954%0.543SS..Hα-helixtrans-66.4-39176.284.60000112.4L469 Q470 N476 H477L469-S473 WeakPolarHBondContact O-CB 3.39Å; L469-S473 PolarHBondContact O-N 3.09Å; Q470-S473 PolarHBondContact O-N 2.9Å; Q470-S473 PolarHBondContact O-OG 3.23Å; S473-N476 PolarHBondContact O-N 2.92Å; S473-H477 PolarHBondContact O-N 2.9Å
474L55.1Low58Low116 Ų116109.8 Ų109.861%0.60757%0.565SS**Hα-helixtrans-69.8-38.1176.6-74.2168.2000111.9Q470 S471 N476 H477 F478Q470-L474 WeakPolarHBondContact O-CG 3.36Å; Q470-L474 PolarHBondContact O-N 3.17Å; S471-L474 PolarHBondContact O-N 3.24Å; L474-N476 VanDerWaalsContact C-N 3.34Å; L474-H477 PolarHBondContact O-N 3.47Å; L474-F478 PolarHBondContact O-N 2.93Å
475S51Low55.8Low65 Ų65111.7 Ų111.746%0.45558%0.577SS.*Hα-helixtrans-64.4-40.7171.7-169.50000111.4S471 R472 H477 F478 L479S471-S475 WeakPolarHBondContact O-CB 3.49Å; S471-S475 PolarHBondContact O-N 2.87Å; R472-S475 PolarHBondContact O-N 2.88Å; S475-H477 PolarHBondContact O-N 3.25Å; S475-F478 PolarHBondContact O-N 3.49Å; S475-L479 PolarHBondContact O-N 2.91Å; S475-L479 VanDerWaalsContact O-N 3.15Å
476N46.9Very low53.5Low78 Ų78117 Ų11742%0.41760%0.599SS.*Hα-helixtrans-70.3-30.9178.4-73.6-21.6000112.9R472 S473 L474 F478 L479 T480R472-N476 WeakPolarHBondContact O-CB 3.41Å; R472-N476 PolarHBondContact O-N 3.47Å; R472-N476 PolarHBondContact O-ND2 3.25Å; S473-N476 PolarHBondContact O-N 2.92Å; L474-N476 VanDerWaalsContact C-N 3.34Å; N476-F478 VanDerWaalsContact C-N 3.26Å; N476-F478 PolarHBondContact O-N 3.32Å; N476-L479 PolarHBondContact O-N 2.9Å; N476-T480 VanDerWaalsContact O-CB 3.29Å; N476-T480 WeakPolarHBondContact O-CB 3.45Å; N476-T480 VanDerWaalsContact O-CG2 3.29Å; N476-T480 WeakPolarHBondContact O-CG2 3.25Å; N476-T480 PolarHBondContact O-N 3.26Å; N476-T480 PolarHBondContact O-OG1 2.91Å
477H50.8Low51Low125 Ų125122.7 Ų122.758%0.57961%0.614SS**Hα-helixtrans-67-28.8173.5-165.8-50.8000111.8S473 L474 S475S473-H477 PolarHBondContact O-N 2.9Å; L474-H477 PolarHBondContact O-N 3.47Å; S475-H477 PolarHBondContact O-N 3.25Å
478F45.5Very low48.6Very low182 Ų182125 Ų12580%0.79863%0.625SS**Hα-helixtrans-78-33.8174.6-110.4-86.5000112.9L474 S475 N476L474-F478 PolarHBondContact O-N 2.93Å; S475-F478 PolarHBondContact O-N 3.49Å; N476-F478 VanDerWaalsContact C-N 3.26Å; N476-F478 PolarHBondContact O-N 3.32Å
479L46.3Very low46.6Very low97 Ų97125.7 Ų125.751%0.50863%0.63SS.*Hα-helixtrans-81.7-30.7178-69.5172.4000113.4S475 N476 K481 S482 L483S475-L479 PolarHBondContact O-N 2.91Å; S475-L479 VanDerWaalsContact O-N 3.15Å; N476-L479 PolarHBondContact O-N 2.9Å; L479-K481 VanDerWaalsContact C-N 3.33Å; L479-K481 PolarHBondContact O-N 3.07Å; L479-S482 PolarHBondContact O-N 3.39Å; L479-S482 VanDerWaalsContact O-N 3.11Å; L479-L483 PolarHBondContact O-N 3.25Å
480T43.5Very low44.6Very low90 Ų90129.2 Ų129.255%0.55265%0.649SS**Hα-helixtrans-72.8-22.2-177.947.70000113.7N476 S482N476-T480 VanDerWaalsContact O-CB 3.29Å; N476-T480 WeakPolarHBondContact O-CB 3.45Å; N476-T480 VanDerWaalsContact O-CG2 3.29Å; N476-T480 WeakPolarHBondContact O-CG2 3.25Å; N476-T480 PolarHBondContact O-N 3.26Å; N476-T480 PolarHBondContact O-OG1 2.91Å; T480-S482 VanDerWaalsContact C-N 3.35Å
481K42.6Very low42.5Very low179 Ų179132.9 Ų132.978%0.77867%0.666SS**Hα-helixtrans-75.1-21.2169.4-115.6-179.6-177.1177.40113.8L479L479-K481 VanDerWaalsContact C-N 3.33Å; L479-K481 PolarHBondContact O-N 3.07Å
482S41.2Very low41Very low93 Ų93136.1 Ų136.165%0.6568%0.683SS**Hα-helixtrans-87.8-29.2-179.1-163.40000113L479 T480L479-S482 PolarHBondContact O-N 3.39Å; L479-S482 VanDerWaalsContact O-N 3.11Å; T480-S482 VanDerWaalsContact C-N 3.35Å
483L41Very low39.5Very low134 Ų134135.6 Ų135.670%0.70269%0.692SS**Hα-helixtrans-99.1-7.6-170.4-92.4147.2000116L479 T485L479-L483 PolarHBondContact O-N 3.25Å; L483-T485 VanDerWaalsContact C-N 3.26Å; L483-T485 PolarHBondContact O-N 3.13Å; L483-T485 VanDerWaalsContact O-N 3.14Å
484K34.2Very low38.5Very low195 Ų195140 Ų14085%0.84871%0.709SS**THydrogen-bonded Turntrans-83.922.6-176.3-141.8170.1-172.8174.10115.7
485T31.7Very low37.5Very low127 Ų127141.6 Ų141.678%0.77972%0.718SS**THydrogen-bonded Turntrans-125.611.1176.922.10000116.9L483L483-T485 VanDerWaalsContact C-N 3.26Å; L483-T485 PolarHBondContact O-N 3.13Å; L483-T485 VanDerWaalsContact O-N 3.14Å
486K31.1Very low36.6Very low175 Ų175145.3 Ų145.376%0.76173%0.733SS**SBendtrans-139.3141.5167.6-84.2-175.7174.8178.20111.5
487Y28.8Very low36.1Very low217 Ų217149 Ų14985%0.85175%0.753SS**  trans91.367177.5-56.6-76.1000116.2
488I28.4Very low35.2Very low151 Ų151151.3 Ų151.377%0.77476%0.764SS**  trans-96.4129137.3-74.4172000105.3
489N28.6Very low34.4Very low126 Ų126149.2 Ų149.267%0.67476%0.761SS**  trans72.5136.4173.4-49.9-14.7000114.5
490D29.3Very low33.8Very low150 Ų150153 Ų15380%0.80278%0.776SS**  cis-145.8152.138.3-81.2-53.4000112.6
491E27.3Very low33.2Very low195 Ų195155.6 Ų155.691%0.91179%0.786SS**  trans-63.1127.3170.4-166.6168-165.300110.5
492V35.7Very low32.6Very low133 Ų133155.2 Ų155.281%0.80679%0.787SS**  trans-138.4132.2168.3179.80000109.8
493D32.3Very low32Very low152 Ų152157.3 Ų157.381%0.81379%0.791SS**  trans-49.5144.8-178.2-81.7-54.8000115.3
494I36.8Very low31.3Very low161 Ų161158 Ų15883%0.82680%0.796SS**  trans-96.9106.8169.8-62.5170.5000106.1
495D34.8Very low31.1Very low149 Ų149156.8 Ų156.880%0.79780%0.796SS**  trans-87.2145.9163.3-82.6-38.3000110
496D32Very low30.9Very low143 Ų143158.3 Ų158.377%0.76580%0.8SS**  trans-63.5166.4178.8-63.8-58.2000113.8
497D36.5Very low30.7Very low156 Ų156154.2 Ų154.283%0.83480%0.799SS**  trans139.188158.6-69.8-20000107.8
498E31Very low30.5Very low173 Ų173147.2 Ų147.281%0.80879%0.793SS**  54.3118.282.4-78.2-167.8177.100114.7
499D30.2Very low30.5Very low137 Ų137146.8 Ų146.873%0.73380%0.797SS**  trans102.1141.7145.1-55.7-30.9000121.9
500E33.6Very low30.3Very low178 Ų178148.6 Ų148.683%0.83280%0.801SS**  trans80.2138162.5-51.8-176.7178.200117.2
501D29.6Very low30.2Very low144 Ų144150.7 Ų150.777%0.7780%0.799SS**  cis177.7163-22.9-105.1-36.7000104.4
502E30.8Very low30.3Very low171 Ų171148.6 Ų148.680%0.79980%0.795SS**  trans78.1104.7160.2-69.1-169.6-176.600121.6
503D28.1Very low29.9Very low136 Ų136150.7 Ų150.773%0.72780%0.796SS**  64.5123.5111.5-61.4-17.7000123.3
504D27.1Very low29.9Very low150 Ų150149.2 Ų149.280%0.80278%0.784SS**  trans55.4113.2144.6-74.2-20.5000120
505I30.1Very low29.6Very low168 Ų168149.5 Ų149.586%0.86279%0.787SS**  -165.5124113.4-89.9148.6000110.3
506N26.1Very low29.4Very low160 Ų160147.4 Ų147.486%0.85679%0.791SS**  trans-70.2122.8168.6177.924.1000111.5
507A28.2Very low29.1Very low89 Ų89146.4 Ų146.474%0.73679%0.793SS**  trans-165.6119152.100000110.1
508G23.5Very low28.6Very low70 Ų70144 Ų14472%0.72279%0.788SS**  trans-75.6155.4174.300000113.6
509T28.2Very low28.5Very low141 Ų141142.7 Ų142.787%0.86579%0.787SS**  trans-158.794.1152.721.20000107.5
510E25Very low28.3Very low164 Ų164144.4 Ų144.477%0.76679%0.791SS**  25.5123.6116.8-156.2163.1-149.100120
511Y26.9Very low28.4Very low194 Ų194142 Ų14276%0.76179%0.793SS**  trans43126.1157-59.5-64.8000122.9
512N29.1Very low28.7Very low151 Ų151142.4 Ų142.481%0.80780%0.796SS**  -163.4109.8122.8-95.4-5.1000110.4
513E28.6Very low29.4Very low178 Ų178139.6 Ų139.683%0.83279%0.792SS**  trans-78.8139.4154.7-72.3178.4145.800108.2
514E32.3Very low29.3Very low121 Ų121140.9 Ų140.957%0.56579%0.794SS**  trans-154139.8141.9-79.9-148.7143.600111.4
515N29.4Very low29.3Very low166 Ų166140.9 Ų140.989%0.88879%0.793SS**  trans-73.3159.6-171.1-80.9-48.8000115.4
516A30.7Very low29Very low106 Ų106140 Ų14088%0.87679%0.79SS**  -162.4124.2129.900000112
517C26Very low29Very low121 Ų121138.7 Ų138.782%0.81878%0.782SS**  trans-99.3177.4177-169.70000110.9
518S26.9Very low29.2Very low105 Ų105144.1 Ų144.173%0.73479%0.789SS**  trans98.2136.4171.3-25.70000114.2
519D27.8Very low29.4Very low146 Ų146149 Ų14978%0.78179%0.794SS**  cis-167.4167.216.8-133.7-15.9000111.5
520E27.2Very low29.3Very low174 Ų174149.8 Ų149.881%0.81379%0.791SS**  trans-46.8153.8-172.5-60.7176.1142.100120.3
521S35.5Very low29.4Very low126 Ų126147.7 Ų147.788%0.88179%0.794SS**  trans-171.9110.4140.3-74.40000112.8
522N36Very low29.4Very low154 Ų154147.3 Ų147.382%0.82480%0.799SS**  trans-69.2162.3156.4-131.4-7.3000109.1
523P44.6Very low29.3Very low111 Ų111143.4 Ų143.472%0.72179%0.794SS**  cis-152.2159.240.838.2-14.3000118.9
524E26.3Very low29.3Very low164 Ų164143.2 Ų143.277%0.76679%0.794SS**  26.3121126.4-118.3173.2-162.900121.5
525L25.9Very low29Very low150 Ų150144.6 Ų144.679%0.78580%0.804SS**  159.4131112.9-90.1178.1000115.6
526L24.5Very low28.9Very low150 Ų150144.4 Ų144.479%0.78580%0.798SS**  trans80.6100.7133.7-146.272.4000121.4
527N25.7Very low28.8Very low132 Ų132147.5 Ų147.571%0.70679%0.794SS**  63103.3121.9-144.622.1000119.9
528K32.1Very low29.3Very low202 Ų202150.8 Ų150.888%0.87880%0.798SS**  trans-147.983.4156.5-102.5-178.5-179.7175.80110.7
529Q28.8Very low29.7Very low174 Ų174153.7 Ų153.781%0.81381%0.805SS**  trans-85.8106152.4-73.9177.5-31.700105.9
530I26.2Very low30.3Very low156 Ų156153.1 Ų153.180%0.880%0.802SS**  4796.889.4-49.9177.9000112.1
531S27.8Very low31.5Very low121 Ų121148.1 Ų148.185%0.84679%0.786SS**  trans-145.4112.8161.6165.20000107.1
532E25.3Very low32.3Very low186 Ų186149 Ų14987%0.86978%0.779SS**  trans-78.3164.2177.5-64.1174.2137.200112.4
533G27.8Very low33.2Very low68 Ų68145.9 Ų145.970%0.70177%0.766SS**  trans127.190.1169.400000111.6
534E29Very low33.7Very low175 Ų175145.7 Ų145.782%0.81876%0.759SS**  116123.467.8-100-171.5171.400109.7
535L25.2Very low35.2Very low149 Ų149142.9 Ų142.978%0.7875%0.749SS**  trans55129142.3-57.9160.7000118.2
536E27.8Very low37Very low163 Ų163141.6 Ų141.676%0.76274%0.739SS**  -164.6147.859.5-74.3-178.1152.800113.2
537Q29Very low39Very low170 Ų170138.5 Ų138.579%0.79472%0.723SS**  trans44.7112141.1-65.5175.21500121.4
538E35.3Very low41Very low191 Ų191139.8 Ų139.889%0.89372%0.722SS**  trans-150.6138.4141-115.1171.2-171.800110.5
539N37Very low42.8Very low165 Ų165138.8 Ų138.888%0.88271%0.713SS**  trans-88.2106.4-166.6-69.2-52.3000111.4
540D39.8Very low44.9Very low135 Ų135135.5 Ų135.572%0.72270%0.7SS**  trans-117.4144.9173.4-77.6-30.6000113
541S51.3Low47.2Very low69 Ų69137.2 Ų137.248%0.48370%0.696SS.*  trans-62.5146.7-163.9770000115.9T543 D544S541-T543 PolarHBondContact O-N 3.09Å; S541-D544 PolarHBondContact O-N 2.99Å; S541-D544 VanDerWaalsContact O-N 3.15Å
542I52.8Low49.3Very low143 Ų143138.4 Ų138.473%0.73369%0.686SS**Hα-helixtrans-51-33.5-170.6-73.8169000114.5L545 E546I542-L545 PolarHBondContact O-N 3.32Å; I542-E546 PolarHBondContact O-N 2.73Å
543T55.9Low51.8Low90 Ų90134 Ų13455%0.55267%0.668SS**Hα-helixtrans-73.4-32.1-176.3460000113.6S541 N547S541-T543 PolarHBondContact O-N 3.09Å; T543-N547 PolarHBondContact O-N 3.38Å
544D54.5Low54Low107 Ų107138.7 Ų138.757%0.57267%0.669SS**Hα-helixtrans-75.1-31.4175.3-76.5-28.8000111.5S541 E546 K548S541-D544 PolarHBondContact O-N 2.99Å; S541-D544 VanDerWaalsContact O-N 3.15Å; D544-E546 VanDerWaalsContact C-N 3.35Å; D544-E546 PolarHBondContact O-N 3.3Å; D544-K548 VanDerWaalsContact O-CB 3.27Å; D544-K548 WeakPolarHBondContact O-CB 3.44Å; D544-K548 PolarHBondContact O-N 3.27Å
545L57.2Low56.1Low104 Ų104133.8 Ų133.855%0.54565%0.654SS.*Hα-helixtrans-63.7-39.6174.7-12195.1000112.3I542 K548 R549I542-L545 PolarHBondContact O-N 3.32Å; L545-K548 PolarHBondContact O-N 2.96Å; L545-R549 PolarHBondContact O-N 2.9Å
546E64.1Low58.6Low124 Ų124131.6 Ų131.658%0.57964%0.642SS**Hα-helixtrans-71.2-44-177.3-156.9157.5-148.800111.5I542 D544 K548 R549 I550I542-E546 PolarHBondContact O-N 2.73Å; D544-E546 VanDerWaalsContact C-N 3.35Å; D544-E546 PolarHBondContact O-N 3.3Å; E546-K548 VanDerWaalsContact C-N 3.31Å; E546-K548 PolarHBondContact O-N 3.2Å; E546-R549 WeakPolarHBondContact O-CB 3.43Å; E546-R549 PolarHBondContact O-N 2.98Å; E546-R549 VanDerWaalsContact O-N 3.13Å; E546-I550 WeakPolarHBondContact O-CG1 3.26Å; E546-I550 PolarHBondContact O-N 3.43Å
547N65.8Low61Low85 Ų85131.6 Ų131.646%0.45564%0.635SS.*Hα-helixtrans-62.6-36.5172.1-78-34.9000112.5T543 I550 R551T543-N547 PolarHBondContact O-N 3.38Å; N547-I550 PolarHBondContact O-N 2.58Å; N547-R551 PolarHBondContact O-N 3.44Å; N547-R551 VanDerWaalsContact O-N 3.07Å
548K67.7Low63.2Low158 Ų158125.9 Ų125.969%0.68761%0.614SS**Hα-helixtrans-67.6-36.9173.8-159.2170.6-171.7174.40111.5D544 L545 E546 K552D544-K548 VanDerWaalsContact O-CB 3.27Å; D544-K548 WeakPolarHBondContact O-CB 3.44Å; D544-K548 PolarHBondContact O-N 3.27Å; L545-K548 PolarHBondContact O-N 2.96Å; E546-K548 VanDerWaalsContact C-N 3.31Å; E546-K548 PolarHBondContact O-N 3.2Å; K548-K552 VanDerWaalsContact O-CB 3.3Å; K548-K552 WeakPolarHBondContact O-CB 3.43Å; K548-K552 PolarHBondContact O-N 3.46Å
549R70.1Confident65.1Low182 Ų182118.2 Ų118.269%0.68758%0.583SS**Hα-helixtrans-63.2-47.7172.3-95.6-175.1172.7-159.8-1112.1L545 E546 K552 I553L545-R549 PolarHBondContact O-N 2.9Å; E546-R549 WeakPolarHBondContact O-CB 3.43Å; E546-R549 PolarHBondContact O-N 2.98Å; E546-R549 VanDerWaalsContact O-N 3.13Å; R549-K552 PolarHBondContact O-N 2.97Å; R549-I553 VanDerWaalsContact O-CG1 3.3Å; R549-I553 WeakPolarHBondContact O-CG1 3.45Å; R549-I553 PolarHBondContact O-N 3.28Å
550I73.8Confident67Low105 Ų105115 Ų11554%0.53857%0.566SS.*Hα-helixtrans-62.5-46-179.6-66.2169.1000110.8E546 N547 K552 I553 K554E546-I550 WeakPolarHBondContact O-CG1 3.26Å; E546-I550 PolarHBondContact O-N 3.43Å; N547-I550 PolarHBondContact O-N 2.58Å; I550-K552 VanDerWaalsContact C-N 3.33Å; I550-K552 PolarHBondContact O-N 3.15Å; I550-I553 PolarHBondContact O-N 3.38Å; I550-K554 PolarHBondContact O-N 3.06Å
551R74.7Confident68.8Low191 Ų191116 Ų11672%0.72156%0.563SS**Hα-helixtrans-60.2-41.3174.5-96.5-175.3-96.9166.5-7.4112.2N547 K554 S555N547-R551 PolarHBondContact O-N 3.44Å; N547-R551 VanDerWaalsContact O-N 3.07Å; R551-K554 PolarHBondContact O-N 3.16Å; R551-S555 WeakPolarHBondContact O-CB 3.45Å; R551-S555 PolarHBondContact O-N 2.86Å
552K71.9Confident69.9Low147 Ų147120 Ų12064%0.63957%0.568SS**Hα-helixtrans-65.6-39177.3-157.1169.2-172.6178.10111.6K548 R549 I550 S555 I556K548-K552 VanDerWaalsContact O-CB 3.3Å; K548-K552 WeakPolarHBondContact O-CB 3.43Å; K548-K552 PolarHBondContact O-N 3.46Å; R549-K552 PolarHBondContact O-N 2.97Å; I550-K552 VanDerWaalsContact C-N 3.33Å; I550-K552 PolarHBondContact O-N 3.15Å; K552-S555 PolarHBondContact O-N 2.91Å; K552-I556 HydrophobicContact CG-CD1 4.09Å; K552-I556 WeakPolarHBondContact O-CB 3.29Å; K552-I556 WeakPolarHBondContact O-CD1 3.45Å; K552-I556 WeakPolarHBondContact O-CG1 3.2Å; K552-I556 PolarHBondContact O-N 3.2Å
553I76.7Confident71.1Confident94 Ų94118.3 Ų118.348%0.48256%0.56SS.*Hα-helixtrans-66.3-44.6176-68.4165.9000111.5R549 I550 S555 I556 R557R549-I553 VanDerWaalsContact O-CG1 3.3Å; R549-I553 WeakPolarHBondContact O-CG1 3.45Å; R549-I553 PolarHBondContact O-N 3.28Å; I550-I553 PolarHBondContact O-N 3.38Å; I553-S555 VanDerWaalsContact C-N 3.33Å; I553-S555 PolarHBondContact O-N 2.97Å; I553-I556 PolarHBondContact O-N 3.2Å; I553-R557 WeakPolarHBondContact O-CB 3.43Å; I553-R557 PolarHBondContact O-N 3.27Å
554K74.6Confident72.1Confident166 Ų166120.2 Ų120.272%0.72256%0.562SS**Hα-helixtrans-63.3-40.4177-168.1173.7-178.4177.30111.3I550 R551 R557 S558I550-K554 PolarHBondContact O-N 3.06Å; R551-K554 PolarHBondContact O-N 3.16Å; K554-R557 PolarHBondContact O-N 3.42Å; K554-S558 PolarHBondContact O-N 3.14Å; K554-S558 PolarHBondContact O-OG 2.85Å
555S73.7Confident73.2Confident72 Ų72122.8 Ų122.850%0.50357%0.565SS.*Hα-helixtrans-64.4-43.7174.6-1770000112.6R551 K552 I553 R557 S558 A559R551-S555 WeakPolarHBondContact O-CB 3.45Å; R551-S555 PolarHBondContact O-N 2.86Å; K552-S555 PolarHBondContact O-N 2.91Å; I553-S555 VanDerWaalsContact C-N 3.33Å; I553-S555 PolarHBondContact O-N 2.97Å; S555-R557 PolarHBondContact O-N 2.86Å; S555-S558 PolarHBondContact O-N 3.46Å; S555-S558 PolarHBondContact O-OG 2.98Å; S555-S558 VanDerWaalsContact O-OG 3.06Å; S555-A559 VanDerWaalsContact O-CB 3.28Å; S555-A559 WeakPolarHBondContact O-CB 3.23Å; S555-A559 PolarHBondContact O-N 2.82Å
556I77.6Confident74.2Confident102 Ų102120.7 Ų120.752%0.52356%0.56SS.*Hα-helixtrans-63.8-41.6175.8-70.1163.5000110.6K552 I553 A559 L560K552-I556 HydrophobicContact CG-CD1 4.09Å; K552-I556 WeakPolarHBondContact O-CB 3.29Å; K552-I556 WeakPolarHBondContact O-CD1 3.45Å; K552-I556 WeakPolarHBondContact O-CG1 3.2Å; K552-I556 PolarHBondContact O-N 3.2Å; I553-I556 PolarHBondContact O-N 3.2Å; I556-A559 PolarHBondContact O-N 3.28Å; I556-L560 VanDerWaalsContact O-CB 3.27Å; I556-L560 WeakPolarHBondContact O-CB 3.33Å; I556-L560 PolarHBondContact O-N 3.42Å
557R77.4Confident74.9Confident163 Ų163123.7 Ų123.762%0.61557%0.566SS**Hα-helixtrans-66-41.6179.2-169.2-178.7-66.5163.8-1.3112.2I553 K554 S555 L560 K561I553-R557 WeakPolarHBondContact O-CB 3.43Å; I553-R557 PolarHBondContact O-N 3.27Å; K554-R557 PolarHBondContact O-N 3.42Å; S555-R557 PolarHBondContact O-N 2.86Å; R557-L560 PolarHBondContact O-N 2.8Å; R557-K561 PolarHBondContact O-N 2.88Å
558S75.6Confident75.7Confident51 Ų51128 Ų12836%0.35758%0.575SS.*Hα-helixtrans-69.9-36.8176.368.70000112.1K554 S555 K561 R562K554-S558 PolarHBondContact O-N 3.14Å; K554-S558 PolarHBondContact O-OG 2.85Å; S555-S558 PolarHBondContact O-N 3.46Å; S555-S558 PolarHBondContact O-OG 2.98Å; S555-S558 VanDerWaalsContact O-OG 3.06Å; S558-K561 PolarHBondContact O-N 2.87Å; S558-R562 PolarHBondContact O-N 2.9Å
559A75.4Confident76.4Confident30 Ų30123.5 Ų123.525%0.24856%0.558CS.*Hα-helixtrans-64.3-39.6171.900000111.9S555 I556 R562 N563S555-A559 VanDerWaalsContact O-CB 3.28Å; S555-A559 WeakPolarHBondContact O-CB 3.23Å; S555-A559 PolarHBondContact O-N 2.82Å; I556-A559 PolarHBondContact O-N 3.28Å; A559-R562 PolarHBondContact O-N 3.46Å; A559-N563 WeakPolarHBondContact O-CB 3.41Å; A559-N563 PolarHBondContact O-N 2.84Å; A559-N563 PolarHBondContact O-ND2 2.87Å
560L76.4Confident76.9Confident98 Ų98119.8 Ų119.851%0.51355%0.551SS.*Hα-helixtrans-67.3-41.1177.1-168.668.5000111.9I556 R557 N563 H564I556-L560 VanDerWaalsContact O-CB 3.27Å; I556-L560 WeakPolarHBondContact O-CB 3.33Å; I556-L560 PolarHBondContact O-N 3.42Å; R557-L560 PolarHBondContact O-N 2.8Å; L560-N563 PolarHBondContact O-N 2.96Å; L560-H564 PolarHBondContact O-CD2 2.97Å; L560-H564 PolarHBondContact O-N 3.23Å
561K77.9Confident77.2Confident156 Ų156119 Ų11968%0.67855%0.545SS*.Hα-helixtrans-61.9-45.7172.8-77.8-170.2176.3-169.90111.8R557 S558 N563 H564 Y565R557-K561 PolarHBondContact O-N 2.88Å; S558-K561 PolarHBondContact O-N 2.87Å; K561-N563 PolarHBondContact O-N 3.36Å; K561-H564 PolarHBondContact O-N 3.46Å; K561-Y565 PolarHBondContact O-N 2.91Å
562R75.2Confident77.6Confident152 Ų152115.6 Ų115.657%0.57454%0.537SS*.Hα-helixtrans-60-43.8174.7-82.8-177.5-80.3107.9-1111.8S558 A559 H564 Y565 S566S558-R562 PolarHBondContact O-N 2.9Å; A559-R562 PolarHBondContact O-N 3.46Å; R562-H564 PolarHBondContact O-N 3.47Å; R562-Y565 PolarHBondContact O-N 3.4Å; R562-S566 PolarHBondContact O-N 3.27Å; R562-S566 PolarHBondContact O-OG 2.85Å
563N76.8Confident78.3Confident107 Ų107113.4 Ų113.457%0.57253%0.529SS*.Hα-helixtrans-62.3-40.3175-88.6-38.2000112.9A559 L560 K561 Y565 R567A559-N563 WeakPolarHBondContact O-CB 3.41Å; A559-N563 PolarHBondContact O-N 2.84Å; A559-N563 PolarHBondContact O-ND2 2.87Å; L560-N563 PolarHBondContact O-N 2.96Å; K561-N563 PolarHBondContact O-N 3.36Å; N563-Y565 VanDerWaalsContact C-N 3.34Å; N563-R567 VanDerWaalsContact O-CB 3.25Å; N563-R567 WeakPolarHBondContact O-CB 3.24Å; N563-R567 PolarHBondContact O-N 3.33Å
564H78Confident78.7Confident130 Ų130116.2 Ų116.260%0.60253%0.534SS*.Hα-helixtrans-63.1-41.5174.9-95.4-73.6000112.2L560 K561 R562 R568L560-H564 PolarHBondContact O-CD2 2.97Å; L560-H564 PolarHBondContact O-N 3.23Å; K561-H564 PolarHBondContact O-N 3.46Å; R562-H564 PolarHBondContact O-N 3.47Å; H564-R568 WeakPolarHBondContact O-CB 3.49Å; H564-R568 PolarHBondContact O-N 3.24Å
565Y77.2Confident79.3Confident161 Ų161111.6 Ų111.663%0.63152%0.517SS*.Hα-helixtrans-65.4-49.1177-167.1-99.5000111.4K561 R562 N563 R567 R568 I569K561-Y565 PolarHBondContact O-N 2.91Å; R562-Y565 PolarHBondContact O-N 3.4Å; N563-Y565 VanDerWaalsContact C-N 3.34Å; Y565-R567 VanDerWaalsContact C-N 3.33Å; Y565-R567 PolarHBondContact O-N 3.46Å; Y565-R568 PolarHBondContact O-N 3.09Å; Y565-R568 VanDerWaalsContact O-N 3.15Å; Y565-I569 HydrophobicContact CD1-CD1 3.82Å; Y565-I569 HydrophobicContact CE1-CD1 3.38Å; Y565-I569 HydrophobicContact CE1-CG1 4.3Å; Y565-I569 PolarHBondContact O-N 3.05Å; Y565-I569 VanDerWaalsContact O-N 3.12Å
566S78.5Confident80Confident61 Ų61111.8 Ų111.843%0.42752%0.518SS..Hα-helixtrans-59.5-41175.8-620000112.5R562 R568 I569 I570R562-S566 PolarHBondContact O-N 3.27Å; R562-S566 PolarHBondContact O-OG 2.85Å; S566-R568 VanDerWaalsContact C-N 3.32Å; S566-R568 PolarHBondContact O-N 3.45Å; S566-I569 PolarHBondContact O-N 3.45Å; S566-I570 VanDerWaalsContact O-CG1 3.3Å; S566-I570 WeakPolarHBondContact O-CG1 3.36Å; S566-I570 PolarHBondContact O-N 2.89Å
567R78.7Confident80.3Confident187 Ų187114.5 Ų114.571%0.70652%0.523SS*.Hα-helixtrans-66.3-33.7177.4-164.8176.6-163.5-135.21.2112.5N563 Y565 Q571N563-R567 VanDerWaalsContact O-CB 3.25Å; N563-R567 WeakPolarHBondContact O-CB 3.24Å; N563-R567 PolarHBondContact O-N 3.33Å; Y565-R567 VanDerWaalsContact C-N 3.33Å; Y565-R567 PolarHBondContact O-N 3.46Å; R567-Q571 WeakPolarHBondContact O-CB 3.47Å; R567-Q571 PolarHBondContact O-N 3.15Å
568R82.9Confident80.8Confident174 Ų174111.9 Ų111.966%0.65752%0.518SS*.Hα-helixtrans-69.2-41.4177.1-172.5176.4176.7142.4-1.3111.9H564 Y565 S566 Q571 Q572H564-R568 WeakPolarHBondContact O-CB 3.49Å; H564-R568 PolarHBondContact O-N 3.24Å; Y565-R568 PolarHBondContact O-N 3.09Å; Y565-R568 VanDerWaalsContact O-N 3.15Å; S566-R568 VanDerWaalsContact C-N 3.32Å; S566-R568 PolarHBondContact O-N 3.45Å; R568-Q571 PolarHBondContact O-N 3.09Å; R568-Q572 PolarHBondContact O-N 3.35Å; R568-Q572 VanDerWaalsContact O-N 3.08Å
569I82Confident81.5Confident64 Ų64114.6 Ų114.633%0.32853%0.529SS..Hα-helixtrans-62.7-49.6175.1-67177.5000110.1Y565 S566 Q571 Q572 E573Y565-I569 HydrophobicContact CD1-CD1 3.82Å; Y565-I569 HydrophobicContact CE1-CD1 3.38Å; Y565-I569 HydrophobicContact CE1-CG1 4.3Å; Y565-I569 PolarHBondContact O-N 3.05Å; Y565-I569 VanDerWaalsContact O-N 3.12Å; S566-I569 PolarHBondContact O-N 3.45Å; I569-Q571 VanDerWaalsContact C-N 3.26Å; I569-Q571 PolarHBondContact O-N 3.28Å; I569-Q572 PolarHBondContact O-N 3.46Å; I569-Q572 VanDerWaalsContact O-N 3.07Å; I569-E573 PolarHBondContact O-N 3.01Å
570I79.7Confident82.2Confident104 Ų104117.7 Ų117.753%0.53354%0.538SS..Hα-helixtrans-59.4-38.4178.4-66.3166000111.3S566 E573 W574S566-I570 VanDerWaalsContact O-CG1 3.3Å; S566-I570 WeakPolarHBondContact O-CG1 3.36Å; S566-I570 PolarHBondContact O-N 2.89Å; I570-E573 PolarHBondContact O-N 3.39Å; I570-W574 VanDerWaalsContact O-CB 3.29Å; I570-W574 WeakPolarHBondContact O-CB 3.34Å; I570-W574 PolarHBondContact O-N 3.01Å
571Q79.9Confident82.7Confident90 Ų90117.2 Ų117.242%0.42154%0.539SS..Hα-helixtrans-66.9-37.8177.1-169.367.34900112.4R567 R568 I569 W574 N575R567-Q571 WeakPolarHBondContact O-CB 3.47Å; R567-Q571 PolarHBondContact O-N 3.15Å; R568-Q571 PolarHBondContact O-N 3.09Å; I569-Q571 VanDerWaalsContact C-N 3.26Å; I569-Q571 PolarHBondContact O-N 3.28Å; Q571-W574 PolarHBondContact O-N 2.94Å; Q571-N575 PolarHBondContact NE2-OD1 3.5Å; Q571-N575 WeakPolarHBondContact O-CB 3.29Å; Q571-N575 PolarHBondContact O-N 3.49Å; Q571-N575 PolarHBondContact O-OD1 2.78Å
572Q84.1Confident83.4Confident119 Ų119116.1 Ų116.156%0.55653%0.534SS*.Hα-helixtrans-66.5-43175.5-76.4179.9-30.400111.5R568 I569 N575 S576R568-Q572 PolarHBondContact O-N 3.35Å; R568-Q572 VanDerWaalsContact O-N 3.08Å; I569-Q572 PolarHBondContact O-N 3.46Å; I569-Q572 VanDerWaalsContact O-N 3.07Å; Q572-N575 PolarHBondContact O-N 3.18Å; Q572-S576 WeakPolarHBondContact O-CB 3.4Å; Q572-S576 PolarHBondContact O-N 2.79Å
573E87.3Confident84.1Confident100 Ų100113.9 Ų113.947%0.46753%0.53SS..Hα-helixtrans-61.5-45173.7-69.7174.417400111I569 I570 N575 S576 Y577I569-E573 PolarHBondContact O-N 3.01Å; I570-E573 PolarHBondContact O-N 3.39Å; E573-N575 PolarHBondContact O-N 2.92Å; E573-S576 WeakPolarHBondContact O-CB 3.36Å; E573-S576 PolarHBondContact O-N 2.98Å; E573-S576 VanDerWaalsContact O-N 3.16Å; E573-Y577 HydrophobicContact CB-CD2 4.48Å; E573-Y577 HydrophobicContact CB-CE2 4.2Å; E573-Y577 WeakPolarHBondContact O-CD2 3.36Å; E573-Y577 PolarHBondContact O-N 3.3Å
574W85Confident84.6Confident154 Ų154112.2 Ų112.258%0.58352%0.521SS*.Hα-helixtrans-62.9-42.7179.5-157.973.2000112.4I570 Q571 S576 Y577 E578I570-W574 VanDerWaalsContact O-CB 3.29Å; I570-W574 WeakPolarHBondContact O-CB 3.34Å; I570-W574 PolarHBondContact O-N 3.01Å; Q571-W574 PolarHBondContact O-N 2.94Å; W574-S576 VanDerWaalsContact C-N 3.34Å; W574-Y577 PolarHBondContact O-N 3.1Å; W574-E578 WeakPolarHBondContact O-CB 3.5Å; W574-E578 PolarHBondContact O-N 3.44Å
575N86.6Confident85.1Confident68 Ų68109.9 Ų109.936%0.36452%0.516SS..Hα-helixtrans-64.3-39.5173.9-67.23.6000111.3Q571 Q572 E573 Y577 E578 D579Q571-N575 PolarHBondContact NE2-OD1 3.5Å; Q571-N575 WeakPolarHBondContact O-CB 3.29Å; Q571-N575 PolarHBondContact O-N 3.49Å; Q571-N575 PolarHBondContact O-OD1 2.78Å; Q572-N575 PolarHBondContact O-N 3.18Å; E573-N575 PolarHBondContact O-N 2.92Å; N575-Y577 VanDerWaalsContact C-N 3.34Å; N575-Y577 PolarHBondContact O-N 3.4Å; N575-E578 PolarHBondContact O-N 3.25Å; N575-D579 WeakPolarHBondContact O-CB 3.34Å; N575-D579 PolarHBondContact O-N 3.1Å
576S87.4Confident85.9Confident76 Ų76106.8 Ų106.853%0.53151%0.51SS..Hα-helixtrans-63.1-39175.4-176.50000112.2Q572 E573 W574 H580Q572-S576 WeakPolarHBondContact O-CB 3.4Å; Q572-S576 PolarHBondContact O-N 2.79Å; E573-S576 WeakPolarHBondContact O-CB 3.36Å; E573-S576 PolarHBondContact O-N 2.98Å; E573-S576 VanDerWaalsContact O-N 3.16Å; W574-S576 VanDerWaalsContact C-N 3.34Å; S576-H580 WeakPolarHBondContact O-CB 3.41Å; S576-H580 PolarHBondContact O-N 3Å
577Y85.6Confident86.5Confident160 Ų160108.5 Ų108.563%0.62751%0.511SS*.Hα-helixtrans-70.1-37.1174.2-71-60.7000111.9E573 W574 N575 H580 V581E573-Y577 HydrophobicContact CB-CD2 4.48Å; E573-Y577 HydrophobicContact CB-CE2 4.2Å; E573-Y577 WeakPolarHBondContact O-CD2 3.36Å; E573-Y577 PolarHBondContact O-N 3.3Å; W574-Y577 PolarHBondContact O-N 3.1Å; N575-Y577 VanDerWaalsContact C-N 3.34Å; N575-Y577 PolarHBondContact O-N 3.4Å; Y577-H580 PolarHBondContact O-N 3.31Å; Y577-V581 WeakPolarHBondContact O-CB 3.44Å; Y577-V581 VanDerWaalsContact O-CG2 3.24Å; Y577-V581 WeakPolarHBondContact O-CG2 3.4Å; Y577-V581 PolarHBondContact O-N 3.36Å
578E87.5Confident86.9Confident108 Ų108104.2 Ų104.251%0.50550%0.501SS..Hα-helixtrans-65-44176.1-171.8169.2-156.200111.7W574 N575 V581 K582W574-E578 WeakPolarHBondContact O-CB 3.5Å; W574-E578 PolarHBondContact O-N 3.44Å; N575-E578 PolarHBondContact O-N 3.25Å; E578-V581 PolarHBondContact O-N 3.4Å; E578-K582 WeakPolarHBondContact O-CB 3.34Å; E578-K582 PolarHBondContact O-N 3.46Å
579D89.8Confident87.3Confident108 Ų108100 Ų10058%0.57849%0.489SS*.Hα-helixtrans-62.5-43.4174.4-73.2-27.8000111.3N575 K582 E583N575-D579 WeakPolarHBondContact O-CB 3.34Å; N575-D579 PolarHBondContact O-N 3.1Å; D579-K582 WeakPolarHBondContact O-CB 3.44Å; D579-K582 PolarHBondContact O-N 2.97Å; D579-E583 WeakPolarHBondContact O-CB 3.28Å; D579-E583 PolarHBondContact O-N 3.07Å
580H89.1Confident87.6Confident94 Ų94103.3 Ų103.344%0.43550%0.503SS..Hα-helixtrans-65.7-39.1177.2-172.254.9000112.7S576 Y577 K582 E583 L584S576-H580 WeakPolarHBondContact O-CB 3.41Å; S576-H580 PolarHBondContact O-N 3Å; Y577-H580 PolarHBondContact O-N 3.31Å; H580-K582 VanDerWaalsContact C-N 3.29Å; H580-K582 PolarHBondContact O-N 3.18Å; H580-E583 IonicContact ND1-OE2 3.75Å; H580-E583 PolarHBondContact O-N 2.91Å; H580-L584 WeakPolarHBondContact O-CB 3.28Å; H580-L584 WeakPolarHBondContact O-CG 3.14Å; H580-L584 PolarHBondContact O-N 3.5Å
581V88.3Confident87.9Confident89 Ų89103.2 Ų103.254%0.53951%0.507SS..Hα-helixtrans-64.3-37.2174.1167.70000111Y577 E578 T585Y577-V581 WeakPolarHBondContact O-CB 3.44Å; Y577-V581 VanDerWaalsContact O-CG2 3.24Å; Y577-V581 WeakPolarHBondContact O-CG2 3.4Å; Y577-V581 PolarHBondContact O-N 3.36Å; E578-V581 PolarHBondContact O-N 3.4Å; V581-T585 WeakPolarHBondContact O-CB 3.42Å; V581-T585 PolarHBondContact O-N 2.88Å; V581-T585 PolarHBondContact O-OG1 3.46Å
582K91.6Very high88.2Confident132 Ų132105.8 Ų105.857%0.57451%0.513SS*.Hα-helixtrans-66.9-46.4175.5-172.9-173.5170.7-149.10111.5E578 D579 H580 L584 T585 D586E578-K582 WeakPolarHBondContact O-CB 3.34Å; E578-K582 PolarHBondContact O-N 3.46Å; D579-K582 WeakPolarHBondContact O-CB 3.44Å; D579-K582 PolarHBondContact O-N 2.97Å; H580-K582 VanDerWaalsContact C-N 3.29Å; H580-K582 PolarHBondContact O-N 3.18Å; K582-L584 PolarHBondContact O-N 3.04Å; K582-T585 WeakPolarHBondContact O-CA 3.45Å; K582-T585 WeakPolarHBondContact O-CB 3.41Å; K582-T585 PolarHBondContact O-N 2.62Å; K582-D586 PolarHBondContact O-N 2.88Å
583E91.2Very high88.5Confident106 Ų106104 Ų10450%0.49551%0.505SS..Hα-helixtrans-57.1-49.1175.3-176.2175-147.100111.4D579 H580 T585 D586 E587D579-E583 WeakPolarHBondContact O-CB 3.28Å; D579-E583 PolarHBondContact O-N 3.07Å; H580-E583 IonicContact ND1-OE2 3.75Å; H580-E583 PolarHBondContact O-N 2.91Å; E583-T585 PolarHBondContact O-N 3.32Å; E583-D586 PolarHBondContact O-N 2.91Å; E583-D586 VanDerWaalsContact O-N 3.14Å; E583-E587 WeakPolarHBondContact O-CG 3.43Å; E583-E587 PolarHBondContact O-N 3.48Å
584L86.3Confident88.4Confident71 Ų71102.9 Ų102.937%0.37250%0.5SS..Hα-helixtrans-61.1-31.5175-72.8173.2000112.9H580 K582 I588H580-L584 WeakPolarHBondContact O-CB 3.28Å; H580-L584 WeakPolarHBondContact O-CG 3.14Å; H580-L584 PolarHBondContact O-N 3.5Å; K582-L584 PolarHBondContact O-N 3.04Å; L584-I588 WeakPolarHBondContact O-CB 3.39Å; L584-I588 WeakPolarHBondContact O-CD1 3.4Å; L584-I588 WeakPolarHBondContact O-CG1 3.26Å; L584-I588 PolarHBondContact O-N 3.42Å; L584-I588 VanDerWaalsContact O-N 3.07Å
585T89.4Confident88.2Confident81 Ų81100.2 Ų100.250%0.49750%0.496SS..Hα-helixtrans-71.4-41.9176.4-57.90000111.1V581 K582 E583 I588 E589V581-T585 WeakPolarHBondContact O-CB 3.42Å; V581-T585 PolarHBondContact O-N 2.88Å; V581-T585 PolarHBondContact O-OG1 3.46Å; K582-T585 WeakPolarHBondContact O-CA 3.45Å; K582-T585 WeakPolarHBondContact O-CB 3.41Å; K582-T585 PolarHBondContact O-N 2.62Å; E583-T585 PolarHBondContact O-N 3.32Å; T585-I588 PolarHBondContact O-N 2.94Å; T585-E589 PolarHBondContact O-N 2.91Å
586D92.3Very high88.3Confident96 Ų96100.7 Ų100.751%0.51350%0.502SS..Hα-helixtrans-65.8-42.4176.8-69.6-20.1000110.8K582 E583 I588 E589 E590K582-D586 PolarHBondContact O-N 2.88Å; E583-D586 PolarHBondContact O-N 2.91Å; E583-D586 VanDerWaalsContact O-N 3.14Å; D586-I588 PolarHBondContact O-N 3.17Å; D586-E589 PolarHBondContact O-N 3.11Å; D586-E590 PolarHBondContact O-N 3.43Å
587E91Very high88.2Confident98 Ų98102.1 Ų102.146%0.45850%0.495SS..Hα-helixtrans-61-43.5173.8-73.9-178.5-169.200112.3E583 E589 E590 V591E583-E587 WeakPolarHBondContact O-CG 3.43Å; E583-E587 PolarHBondContact O-N 3.48Å; E587-E589 VanDerWaalsContact C-N 3.32Å; E587-E589 PolarHBondContact O-N 3.05Å; E587-E590 PolarHBondContact O-N 2.97Å; E587-V591 WeakPolarHBondContact O-CB 3.04Å; E587-V591 VanDerWaalsContact O-CG2 3.28Å; E587-V591 WeakPolarHBondContact O-CG2 3.48Å; E587-V591 PolarHBondContact O-N 3.32Å
588I88Confident88.1Confident96 Ų9696.2 Ų96.249%0.49248%0.48SS..Hα-helixtrans-63.7-39.3177.1-73.6167.5000111L584 T585 D586 R592L584-I588 WeakPolarHBondContact O-CB 3.39Å; L584-I588 WeakPolarHBondContact O-CD1 3.4Å; L584-I588 WeakPolarHBondContact O-CG1 3.26Å; L584-I588 PolarHBondContact O-N 3.42Å; L584-I588 VanDerWaalsContact O-N 3.07Å; T585-I588 PolarHBondContact O-N 2.94Å; D586-I588 PolarHBondContact O-N 3.17Å; I588-R592 VanDerWaalsContact O-CG 3.26Å; I588-R592 WeakPolarHBondContact O-CG 3.34Å; I588-R592 PolarHBondContact O-N 3.1Å
589E91Very high87.9Confident87 Ų8796.9 Ų96.941%0.40748%0.481SS..Hα-helixtrans-69.1-40.1177.5-177.454.1-150.800111.6T585 D586 E587 R592 Q593T585-E589 PolarHBondContact O-N 2.91Å; D586-E589 PolarHBondContact O-N 3.11Å; E587-E589 VanDerWaalsContact C-N 3.32Å; E587-E589 PolarHBondContact O-N 3.05Å; E589-R592 WeakPolarHBondContact O-CB 3.42Å; E589-R592 PolarHBondContact O-N 3.41Å; E589-Q593 WeakPolarHBondContact O-CG 3.33Å; E589-Q593 PolarHBondContact O-N 3.5Å; E589-Q593 PolarHBondContact OE1-NE2 3.32Å
590E88.9Confident87.7Confident133 Ų13397.2 Ų97.262%0.62148%0.479SS*.Hα-helixtrans-60.6-46.3173.1-174.7172.9-172.900111.5D586 E587 R592 Q593 E594D586-E590 PolarHBondContact O-N 3.43Å; E587-E590 PolarHBondContact O-N 2.97Å; E590-R592 VanDerWaalsContact C-N 3.3Å; E590-R592 PolarHBondContact O-N 3.43Å; E590-Q593 PolarHBondContact O-N 3.08Å; E590-E594 WeakPolarHBondContact O-CB 3.26Å; E590-E594 PolarHBondContact O-N 3Å
591V85.2Confident87.5Confident102 Ų10299.2 Ų99.262%0.61848%0.483SS*.Hα-helixtrans-62.4-36.2176.3170.90000111.7E587 E594 L595E587-V591 WeakPolarHBondContact O-CB 3.04Å; E587-V591 VanDerWaalsContact O-CG2 3.28Å; E587-V591 WeakPolarHBondContact O-CG2 3.48Å; E587-V591 PolarHBondContact O-N 3.32Å; V591-E594 PolarHBondContact O-N 3.44Å; V591-L595 VanDerWaalsContact O-CB 3.31Å; V591-L595 WeakPolarHBondContact O-CB 3.24Å; V591-L595 PolarHBondContact O-N 3.46Å
592R87.7Confident87.2Confident143 Ų143100.4 Ų100.454%0.5448%0.483SS..Hα-helixtrans-66.7-42174.8-76.8172.7179.9-147.83.2112.3I588 E589 E590 L595 T596I588-R592 VanDerWaalsContact O-CG 3.26Å; I588-R592 WeakPolarHBondContact O-CG 3.34Å; I588-R592 PolarHBondContact O-N 3.1Å; E589-R592 WeakPolarHBondContact O-CB 3.42Å; E589-R592 PolarHBondContact O-N 3.41Å; E590-R592 VanDerWaalsContact C-N 3.3Å; E590-R592 PolarHBondContact O-N 3.43Å; R592-L595 PolarHBondContact O-N 2.94Å; R592-T596 PolarHBondContact O-N 3.35Å; R592-T596 PolarHBondContact O-OG1 3.12Å
593Q90.4Very high86.9Confident82 Ų8299.2 Ų99.238%0.38348%0.481SS..Hα-helixtrans-66.6-41175.7-69.8178.824.800110.9E589 E590 L595 T596 R597E589-Q593 WeakPolarHBondContact O-CG 3.33Å; E589-Q593 PolarHBondContact O-N 3.5Å; E589-Q593 PolarHBondContact OE1-NE2 3.32Å; E590-Q593 PolarHBondContact O-N 3.08Å; Q593-L595 VanDerWaalsContact C-N 3.35Å; Q593-L595 PolarHBondContact O-N 3.28Å; Q593-T596 WeakPolarHBondContact O-CB 3.45Å; Q593-T596 PolarHBondContact O-N 2.98Å; Q593-T596 VanDerWaalsContact O-N 3.15Å; Q593-R597 WeakPolarHBondContact O-CG 3.41Å; Q593-R597 PolarHBondContact O-N 3.28Å
594E84.2Confident86.6Confident77 Ų7799.3 Ų99.336%0.3648%0.484SS..Hα-helixtrans-67.9-34.8177.4-163.754.4-147.100112.2E590 V591 T596 R597 A598 R601E590-E594 WeakPolarHBondContact O-CB 3.26Å; E590-E594 PolarHBondContact O-N 3Å; V591-E594 PolarHBondContact O-N 3.44Å; E594-T596 VanDerWaalsContact C-N 3.32Å; E594-T596 PolarHBondContact O-N 3.47Å; E594-R597 PolarHBondContact O-N 3.01Å; E594-R597 IonicContact OE2-NH1 3.2Å; E594-R597 PolarHBondContact OE2-NH1 3.37Å; E594-A598 VanDerWaalsContact O-CB 3.29Å; E594-A598 WeakPolarHBondContact O-CB 3.46Å; E594-A598 PolarHBondContact O-N 3.41Å; E594-R601 IonicContact OE1-CZ 3.37Å; E594-R601 IonicContact OE1-NH1 2.66Å; E594-R601 PolarHBondContact OE1-NH1 3.39Å; E594-R601 IonicContact OE1-NH2 2.75Å; E594-R601 PolarHBondContact OE1-NH2 2.87Å
595L81.5Confident86.5Confident97 Ų97100.3 Ų100.351%0.50849%0.49SS..Hα-helixtrans-62.6-38.9170.3-179.563.8000111.9V591 R592 Q593 A598 K599V591-L595 VanDerWaalsContact O-CB 3.31Å; V591-L595 WeakPolarHBondContact O-CB 3.24Å; V591-L595 PolarHBondContact O-N 3.46Å; R592-L595 PolarHBondContact O-N 2.94Å; Q593-L595 VanDerWaalsContact C-N 3.35Å; Q593-L595 PolarHBondContact O-N 3.28Å; L595-A598 PolarHBondContact O-N 3.08Å; L595-K599 WeakPolarHBondContact O-CG 3.3Å; L595-K599 PolarHBondContact O-N 3.49Å
596T87.5Confident86.4Confident78 Ų78101.6 Ų101.648%0.47949%0.49SS..Hα-helixtrans-67.6-44.7177.6-50.30000110.7R592 Q593 E594 A598 K599 E600R592-T596 PolarHBondContact O-N 3.35Å; R592-T596 PolarHBondContact O-OG1 3.12Å; Q593-T596 WeakPolarHBondContact O-CB 3.45Å; Q593-T596 PolarHBondContact O-N 2.98Å; Q593-T596 VanDerWaalsContact O-N 3.15Å; E594-T596 VanDerWaalsContact C-N 3.32Å; E594-T596 PolarHBondContact O-N 3.47Å; T596-A598 VanDerWaalsContact C-N 3.31Å; T596-A598 PolarHBondContact O-N 2.93Å; T596-K599 PolarHBondContact O-N 2.89Å; T596-E600 PolarHBondContact O-N 2.79Å
597R85.6Confident86.2Confident106 Ų106101.8 Ų101.840%0.449%0.488SS..Hα-helixtrans-62.1-37.6173-66.5-178-165104.68.6112Q593 E594 E600 R601Q593-R597 WeakPolarHBondContact O-CG 3.41Å; Q593-R597 PolarHBondContact O-N 3.28Å; E594-R597 PolarHBondContact O-N 3.01Å; E594-R597 IonicContact OE2-NH1 3.2Å; E594-R597 PolarHBondContact OE2-NH1 3.37Å; R597-E600 PolarHBondContact O-N 3.26Å; R597-R601 WeakPolarHBondContact O-CB 3.46Å; R597-R601 VanDerWaalsContact O-CG 3.29Å; R597-R601 WeakPolarHBondContact O-CG 3.49Å; R597-R601 PolarHBondContact O-N 3.5Å
598A82.9Confident86.1Confident37 Ų37101.3 Ų101.331%0.30649%0.486SS..Hα-helixtrans-64.1-44.117600000111.8E594 L595 T596 R601 E602E594-A598 VanDerWaalsContact O-CB 3.29Å; E594-A598 WeakPolarHBondContact O-CB 3.46Å; E594-A598 PolarHBondContact O-N 3.41Å; L595-A598 PolarHBondContact O-N 3.08Å; T596-A598 VanDerWaalsContact C-N 3.31Å; T596-A598 PolarHBondContact O-N 2.93Å; A598-R601 PolarHBondContact O-N 3.28Å; A598-E602 WeakPolarHBondContact O-CB 3.31Å; A598-E602 PolarHBondContact O-N 3.36Å
599K84.7Confident85.9Confident121 Ų121101.2 Ų101.253%0.52649%0.485SS..Hα-helixtrans-62.9-40174.4-74-178.9177.5-174.80112.7L595 T596 E602 I603L595-K599 WeakPolarHBondContact O-CG 3.3Å; L595-K599 PolarHBondContact O-N 3.49Å; T596-K599 PolarHBondContact O-N 2.89Å; K599-E602 WeakPolarHBondContact O-CB 3.31Å; K599-E602 PolarHBondContact O-N 3.41Å; K599-I603 VanDerWaalsContact O-CG1 3.31Å; K599-I603 WeakPolarHBondContact O-CG1 3.37Å; K599-I603 PolarHBondContact O-N 2.97Å
600E85.6Confident85.8Confident115 Ų115101.8 Ų101.854%0.53749%0.494SS..Hα-helixtrans-64.2-42.5174.2-72.7175.9178.300111.9T596 R597 E602 I603 I604T596-E600 PolarHBondContact O-N 2.79Å; R597-E600 PolarHBondContact O-N 3.26Å; E600-E602 VanDerWaalsContact C-N 3.28Å; E600-E602 PolarHBondContact O-N 2.86Å; E600-I603 PolarHBondContact O-N 3.45Å; E600-I604 VanDerWaalsContact O-CG1 3.32Å; E600-I604 WeakPolarHBondContact O-CG1 3.42Å; E600-I604 PolarHBondContact O-N 3.49Å
601R84.6Confident85.8Confident137 Ų137101.7 Ų101.752%0.51749%0.488SS..Hα-helixtrans-60.8-38.9173.7-72.5-175.8-61.4-121.74.1111.5E594 R597 A598 N605E594-R601 IonicContact OE1-CZ 3.37Å; E594-R601 IonicContact OE1-NH1 2.66Å; E594-R601 PolarHBondContact OE1-NH1 3.39Å; E594-R601 IonicContact OE1-NH2 2.75Å; E594-R601 PolarHBondContact OE1-NH2 2.87Å; R597-R601 WeakPolarHBondContact O-CB 3.46Å; R597-R601 VanDerWaalsContact O-CG 3.29Å; R597-R601 WeakPolarHBondContact O-CG 3.49Å; R597-R601 PolarHBondContact O-N 3.5Å; A598-R601 PolarHBondContact O-N 3.28Å; R601-N605 VanDerWaalsContact O-CB 3.28Å; R601-N605 WeakPolarHBondContact O-CB 3.28Å; R601-N605 PolarHBondContact O-N 3.04Å
602E82.3Confident85.5Confident114 Ų114101 Ų10153%0.53348%0.481SS..Hα-helixtrans-65.3-48.5176.6-172.9171-150.100111.7A598 K599 E600 I604 N605 E606A598-E602 WeakPolarHBondContact O-CB 3.31Å; A598-E602 PolarHBondContact O-N 3.36Å; K599-E602 WeakPolarHBondContact O-CB 3.31Å; K599-E602 PolarHBondContact O-N 3.41Å; E600-E602 VanDerWaalsContact C-N 3.28Å; E600-E602 PolarHBondContact O-N 2.86Å; E602-I604 VanDerWaalsContact C-N 3.35Å; E602-I604 PolarHBondContact O-N 2.96Å; E602-N605 CarbonylContact O-C 3.58Å; E602-N605 WeakPolarHBondContact O-CA 3.47Å; E602-N605 WeakPolarHBondContact O-CB 3.41Å; E602-N605 PolarHBondContact O-N 3.22Å; E602-E606 WeakPolarHBondContact O-CG 3.49Å; E602-E606 PolarHBondContact O-N 3.46Å
603I85.5Confident85.4Confident106 Ų10697.1 Ų97.154%0.54448%0.476SS..Hα-helixtrans-58.6-44.7176.8-68164.8000111.4K599 E600 N605 E606 E607K599-I603 VanDerWaalsContact O-CG1 3.31Å; K599-I603 WeakPolarHBondContact O-CG1 3.37Å; K599-I603 PolarHBondContact O-N 2.97Å; E600-I603 PolarHBondContact O-N 3.45Å; I603-N605 VanDerWaalsContact C-N 3.28Å; I603-N605 PolarHBondContact O-N 3.09Å; I603-E606 PolarHBondContact O-N 2.95Å; I603-E607 PolarHBondContact O-N 3.49Å
604I84.8Confident85.3Confident108 Ų10894.6 Ų94.655%0.55447%0.472SS*.Hα-helixtrans-63.7-38.5177.2-67.2167.6000110.7E600 E602 H608E600-I604 VanDerWaalsContact O-CG1 3.32Å; E600-I604 WeakPolarHBondContact O-CG1 3.42Å; E600-I604 PolarHBondContact O-N 3.49Å; E602-I604 VanDerWaalsContact C-N 3.35Å; E602-I604 PolarHBondContact O-N 2.96Å; I604-H608 WeakPolarHBondContact O-CB 3.38Å; I604-H608 PolarHBondContact O-N 3.32Å
605N84.3Confident85.6Confident92 Ų9294.5 Ų94.549%0.49248%0.477SS..Hα-helixtrans-68.5-42.1177.8-168.149.6000111.8R601 E602 I603 E607 H608 I609R601-N605 VanDerWaalsContact O-CB 3.28Å; R601-N605 WeakPolarHBondContact O-CB 3.28Å; R601-N605 PolarHBondContact O-N 3.04Å; E602-N605 CarbonylContact O-C 3.58Å; E602-N605 WeakPolarHBondContact O-CA 3.47Å; E602-N605 WeakPolarHBondContact O-CB 3.41Å; E602-N605 PolarHBondContact O-N 3.22Å; I603-N605 VanDerWaalsContact C-N 3.28Å; I603-N605 PolarHBondContact O-N 3.09Å; N605-E607 PolarHBondContact O-N 2.7Å; N605-H608 PolarHBondContact O-N 3.12Å; N605-I609 WeakPolarHBondContact O-CB 3.34Å; N605-I609 VanDerWaalsContact O-CG1 3.26Å; N605-I609 WeakPolarHBondContact O-CG1 3.44Å; N605-I609 PolarHBondContact O-N 2.93Å
606E86.9Confident85.7Confident108 Ų10893.4 Ų93.451%0.50547%0.474SS..Hα-helixtrans-60.2-43.2173.3-73.5-179.7173.800111.9E602 I603 H608 I609 T610E602-E606 WeakPolarHBondContact O-CG 3.49Å; E602-E606 PolarHBondContact O-N 3.46Å; I603-E606 PolarHBondContact O-N 2.95Å; E606-H608 VanDerWaalsContact C-N 3.33Å; E606-H608 PolarHBondContact O-N 2.57Å; E606-I609 PolarHBondContact O-N 3.24Å; E606-T610 WeakPolarHBondContact O-CB 3.22Å; E606-T610 PolarHBondContact O-N 2.9Å; E606-T610 PolarHBondContact O-OG1 3.21Å
607E88.5Confident85.7Confident100 Ų10094.2 Ų94.247%0.46748%0.475SS..Hα-helixtrans-64.7-39.6176.3-157.2-158.3141.500111.4I603 N605 T610 R611I603-E607 PolarHBondContact O-N 3.49Å; N605-E607 PolarHBondContact O-N 2.7Å; E607-T610 PolarHBondContact O-N 3.17Å; E607-R611 WeakPolarHBondContact O-CB 3.47Å; E607-R611 WeakPolarHBondContact O-CG 3.43Å; E607-R611 PolarHBondContact O-N 3.39Å; E607-R611 IonicContact OE1-CZ 3.37Å; E607-R611 VanDerWaalsContact OE1-CZ 3.28Å; E607-R611 IonicContact OE1-NE 3.69Å; E607-R611 PolarHBondContact OE1-NE 3.08Å; E607-R611 IonicContact OE1-NH2 2.7Å; E607-R611 PolarHBondContact OE1-NH2 3.17Å; E607-R611 IonicContact OE2-NH2 3.57Å; E607-R611 PolarHBondContact OE2-NH2 3.38Å
608H87.4Confident86Confident89 Ų8996.7 Ų96.741%0.41249%0.489SS..Hα-helixtrans-65.6-44.7175.4-175.2-110.6000112.1I604 N605 E606 T610 R611 L612I604-H608 WeakPolarHBondContact O-CB 3.38Å; I604-H608 PolarHBondContact O-N 3.32Å; N605-H608 PolarHBondContact O-N 3.12Å; E606-H608 VanDerWaalsContact C-N 3.33Å; E606-H608 PolarHBondContact O-N 2.57Å; H608-T610 VanDerWaalsContact C-N 3.32Å; H608-T610 PolarHBondContact O-N 3.5Å; H608-R611 PolarHBondContact O-N 3.39Å; H608-L612 WeakPolarHBondContact CE1-CD1 3.48Å; H608-L612 WeakPolarHBondContact O-CB 3.48Å; H608-L612 WeakPolarHBondContact O-CG 2.97Å; H608-L612 PolarHBondContact O-N 2.88Å
609I85.5Confident86.2Confident94 Ų9499.8 Ų99.848%0.48250%0.5SS..Hα-helixtrans-60.1-43.6175.1-70.2165.3000110.2N605 E606 L612 S613N605-I609 WeakPolarHBondContact O-CB 3.34Å; N605-I609 VanDerWaalsContact O-CG1 3.26Å; N605-I609 WeakPolarHBondContact O-CG1 3.44Å; N605-I609 PolarHBondContact O-N 2.93Å; E606-I609 PolarHBondContact O-N 3.24Å; I609-L612 PolarHBondContact O-N 3.45Å; I609-S613 WeakPolarHBondContact O-CB 2.95Å; I609-S613 PolarHBondContact O-N 2.65Å
610T88.3Confident86.1Confident98 Ų9899 Ų9960%0.60150%0.501SS*.Hα-helixtrans-64.2-42.7178.1-53.90000111.7E606 E607 H608 S613 G614E606-T610 WeakPolarHBondContact O-CB 3.22Å; E606-T610 PolarHBondContact O-N 2.9Å; E606-T610 PolarHBondContact O-OG1 3.21Å; E607-T610 PolarHBondContact O-N 3.17Å; H608-T610 VanDerWaalsContact C-N 3.32Å; H608-T610 PolarHBondContact O-N 3.5Å; T610-S613 PolarHBondContact O-N 2.78Å; T610-G614 PolarHBondContact O-N 2.98Å
611R87.6Confident86.3Confident131 Ų13198.5 Ų98.549%0.49450%0.498SS..Hα-helixtrans-64.5-39.5174.9-76-169.7-110.8121.4-7.8112.2E607 H608 T615E607-R611 WeakPolarHBondContact O-CB 3.47Å; E607-R611 WeakPolarHBondContact O-CG 3.43Å; E607-R611 PolarHBondContact O-N 3.39Å; E607-R611 IonicContact OE1-CZ 3.37Å; E607-R611 VanDerWaalsContact OE1-CZ 3.28Å; E607-R611 IonicContact OE1-NE 3.69Å; E607-R611 PolarHBondContact OE1-NE 3.08Å; E607-R611 IonicContact OE1-NH2 2.7Å; E607-R611 PolarHBondContact OE1-NH2 3.17Å; E607-R611 IonicContact OE2-NH2 3.57Å; E607-R611 PolarHBondContact OE2-NH2 3.38Å; H608-R611 PolarHBondContact O-N 3.39Å; R611-T615 PolarHBondContact O-N 3.38Å; R611-T615 VanDerWaalsContact O-N 3.08Å; R611-T615 PolarHBondContact O-OG1 3.41Å
612L79.9Confident86.4Confident87 Ų8796 Ų9646%0.45549%0.493SS..Hα-helixtrans-66.6-48175.9-77.4174.8000111.5H608 I609 G614 T615 V616H608-L612 WeakPolarHBondContact CE1-CD1 3.48Å; H608-L612 WeakPolarHBondContact O-CB 3.48Å; H608-L612 WeakPolarHBondContact O-CG 2.97Å; H608-L612 PolarHBondContact O-N 2.88Å; I609-L612 PolarHBondContact O-N 3.45Å; L612-G614 VanDerWaalsContact C-N 3.34Å; L612-G614 PolarHBondContact O-N 3.45Å; L612-T615 CarbonylContact O-C 3.56Å; L612-T615 WeakPolarHBondContact O-CA 3.35Å; L612-T615 WeakPolarHBondContact O-CB 3.43Å; L612-T615 PolarHBondContact O-N 3.27Å; L612-V616 WeakPolarHBondContact O-CG2 3.49Å; L612-V616 PolarHBondContact O-N 3.04Å
613S84.7Confident86.5Confident62 Ų6294 Ų9443%0.43449%0.492SS..Hα-helixtrans-55.6-48.9176.6-168.20000111I609 T610 T615 V616 D617I609-S613 WeakPolarHBondContact O-CB 2.95Å; I609-S613 PolarHBondContact O-N 2.65Å; T610-S613 PolarHBondContact O-N 2.78Å; S613-T615 PolarHBondContact O-N 3.5Å; S613-V616 PolarHBondContact O-N 3.35Å; S613-V616 VanDerWaalsContact O-N 3.17Å; S613-D617 VanDerWaalsContact O-CG 3.28Å; S613-D617 PolarHBondContact O-N 2.99Å
614G89.5Confident86.4Confident30 Ų3092.6 Ų92.631%0.30949%0.485SS..Hα-helixtrans-65.6-23176.400000114.4T610 L612 K618T610-G614 PolarHBondContact O-N 2.98Å; L612-G614 VanDerWaalsContact C-N 3.34Å; L612-G614 PolarHBondContact O-N 3.45Å; G614-K618 WeakPolarHBondContact O-CG 3.07Å; G614-K618 PolarHBondContact O-N 2.88Å
615T90.1Very high86.6Confident74 Ų7491.9 Ų91.945%0.45448%0.479SS..Hα-helixtrans-77.7-42.5172.6-57.50000111R611 L612 S613 K618 L619R611-T615 PolarHBondContact O-N 3.38Å; R611-T615 VanDerWaalsContact O-N 3.08Å; R611-T615 PolarHBondContact O-OG1 3.41Å; L612-T615 CarbonylContact O-C 3.56Å; L612-T615 WeakPolarHBondContact O-CA 3.35Å; L612-T615 WeakPolarHBondContact O-CB 3.43Å; L612-T615 PolarHBondContact O-N 3.27Å; S613-T615 PolarHBondContact O-N 3.5Å; T615-K618 PolarHBondContact O-N 3.47Å; T615-L619 HydrophobicContact CG2-CD1 4.32Å; T615-L619 WeakPolarHBondContact O-CG 3.46Å; T615-L619 PolarHBondContact O-N 3.49Å
616V82.9Confident86.7Confident75 Ų7595.2 Ų95.246%0.45549%0.485SS..Hα-helixtrans-60.7-45.7174.6172.60000110.2L612 S613 K618 L619 L620L612-V616 WeakPolarHBondContact O-CG2 3.49Å; L612-V616 PolarHBondContact O-N 3.04Å; S613-V616 PolarHBondContact O-N 3.35Å; S613-V616 VanDerWaalsContact O-N 3.17Å; V616-K618 VanDerWaalsContact C-N 3.31Å; V616-K618 PolarHBondContact O-N 3.2Å; V616-L619 PolarHBondContact O-N 3.47Å; V616-L619 VanDerWaalsContact O-N 3.11Å; V616-L620 HydrophobicContact CG1-CD1 3.85Å; V616-L620 HydrophobicContact CG1-CG 4.2Å; V616-L620 WeakPolarHBondContact O-CB 3.42Å; V616-L620 WeakPolarHBondContact O-CG 2.96Å; V616-L620 PolarHBondContact O-N 2.66Å
617D89Confident86.8Confident94 Ų9494.6 Ų94.650%0.50349%0.485SS..Hα-helixtrans-59.4-40.7176.9-67.8-29.4000112.1S613 L620 Q621S613-D617 VanDerWaalsContact O-CG 3.28Å; S613-D617 PolarHBondContact O-N 2.99Å; D617-L620 PolarHBondContact O-N 3.06Å; D617-Q621 VanDerWaalsContact O-CB 3.27Å; D617-Q621 WeakPolarHBondContact O-CB 3.04Å; D617-Q621 PolarHBondContact O-N 2.86Å
618K91Very high86.8Confident158 Ų15895.2 Ų95.269%0.68749%0.487SS*.Hα-helixtrans-65.4-41.5174.5-77.3174.5-175.1174.10112.5G614 T615 V616 Q621 E622G614-K618 WeakPolarHBondContact O-CG 3.07Å; G614-K618 PolarHBondContact O-N 2.88Å; T615-K618 PolarHBondContact O-N 3.47Å; V616-K618 VanDerWaalsContact C-N 3.31Å; V616-K618 PolarHBondContact O-N 3.2Å; K618-Q621 PolarHBondContact O-N 3Å; K618-E622 WeakPolarHBondContact O-CB 3.43Å; K618-E622 PolarHBondContact O-N 2.92Å
619L86.8Confident86.9Confident102 Ų10295.9 Ų95.953%0.53449%0.494SS..Hα-helixtrans-67.8-37.8177.4-71.6173000111.7T615 V616 E622 S623T615-L619 HydrophobicContact CG2-CD1 4.32Å; T615-L619 WeakPolarHBondContact O-CG 3.46Å; T615-L619 PolarHBondContact O-N 3.49Å; V616-L619 PolarHBondContact O-N 3.47Å; V616-L619 VanDerWaalsContact O-N 3.11Å; L619-E622 PolarHBondContact O-N 3.24Å; L619-S623 VanDerWaalsContact O-CB 3.24Å; L619-S623 WeakPolarHBondContact O-CB 3.36Å; L619-S623 PolarHBondContact O-N 2.9Å
620L84.1Confident86.9Confident105 Ų10596.7 Ų96.755%0.5550%0.496SS..Hα-helixtrans-66.7-42.8174.3-71.2175.5000111.1V616 D617 S623 N624V616-L620 HydrophobicContact CG1-CD1 3.85Å; V616-L620 HydrophobicContact CG1-CG 4.2Å; V616-L620 WeakPolarHBondContact O-CB 3.42Å; V616-L620 WeakPolarHBondContact O-CG 2.96Å; V616-L620 PolarHBondContact O-N 2.66Å; D617-L620 PolarHBondContact O-N 3.06Å; L620-S623 PolarHBondContact O-N 3.35Å; L620-N624 VanDerWaalsContact O-CB 3.3Å; L620-N624 WeakPolarHBondContact O-CB 3.1Å; L620-N624 PolarHBondContact O-N 3.27Å
621Q88.8Confident86.8Confident104 Ų10496.6 Ų96.649%0.48649%0.491SS..Hα-helixtrans-61.4-46.1173.5-177.862.72400111.4D617 K618 S623 N624 E625D617-Q621 VanDerWaalsContact O-CB 3.27Å; D617-Q621 WeakPolarHBondContact O-CB 3.04Å; D617-Q621 PolarHBondContact O-N 2.86Å; K618-Q621 PolarHBondContact O-N 3Å; Q621-S623 PolarHBondContact O-N 3.31Å; Q621-N624 PolarHBondContact O-N 2.98Å; Q621-E625 PolarHBondContact NE2-OE1 2.96Å; Q621-E625 WeakPolarHBondContact O-CB 3.21Å; Q621-E625 WeakPolarHBondContact O-CG 3.46Å; Q621-E625 PolarHBondContact O-N 3.39Å
622E87.3Confident86.8Confident85 Ų8596.7 Ų96.740%0.39750%0.497SS..Hα-helixtrans-64.3-40177.4-171.8179.6177.600111.9K618 L619 E625 R626K618-E622 WeakPolarHBondContact O-CB 3.43Å; K618-E622 PolarHBondContact O-N 2.92Å; L619-E622 PolarHBondContact O-N 3.24Å; E622-E625 PolarHBondContact O-N 2.84Å; E622-R626 WeakPolarHBondContact O-CB 3.44Å; E622-R626 VanDerWaalsContact O-CG 3.25Å; E622-R626 WeakPolarHBondContact O-CG 3.18Å; E622-R626 PolarHBondContact O-N 3.46Å; E622-R626 IonicContact OE1-CZ 3.31Å; E622-R626 IonicContact OE1-NE 2.7Å; E622-R626 IonicContact OE1-NH2 3.16Å; E622-R626 PolarHBondContact OE1-NH2 3.07Å
623S84.8Confident87Confident73 Ų7398.8 Ų98.851%0.5151%0.505SS..Hα-helixtrans-62.7-44174.2-174.70000111.6L619 L620 Q621 R626 L627L619-S623 VanDerWaalsContact O-CB 3.24Å; L619-S623 WeakPolarHBondContact O-CB 3.36Å; L619-S623 PolarHBondContact O-N 2.9Å; L620-S623 PolarHBondContact O-N 3.35Å; Q621-S623 PolarHBondContact O-N 3.31Å; S623-R626 PolarHBondContact O-N 3.13Å; S623-L627 WeakPolarHBondContact O-CB 3.43Å; S623-L627 PolarHBondContact O-N 2.63Å
624N83.3Confident87Confident76 Ų76104 Ų10441%0.40651%0.514SS..Hα-helixtrans-66.8-41178.6-1618.3000111.6L620 Q621 L627 Q628L620-N624 VanDerWaalsContact O-CB 3.3Å; L620-N624 WeakPolarHBondContact O-CB 3.1Å; L620-N624 PolarHBondContact O-N 3.27Å; Q621-N624 PolarHBondContact O-N 2.98Å; N624-L627 PolarHBondContact O-N 3.11Å; N624-Q628 WeakPolarHBondContact O-CG 3.15Å; N624-Q628 PolarHBondContact O-N 2.69Å
625E88.9Confident86.5Confident93 Ų93107.4 Ų107.444%0.43552%0.524SS..Hα-helixtrans-62.3-42.1173.3-76.2175.3-166.200112.2Q621 E622 L627 Q628 N629Q621-E625 PolarHBondContact NE2-OE1 2.96Å; Q621-E625 WeakPolarHBondContact O-CB 3.21Å; Q621-E625 WeakPolarHBondContact O-CG 3.46Å; Q621-E625 PolarHBondContact O-N 3.39Å; E622-E625 PolarHBondContact O-N 2.84Å; E625-L627 VanDerWaalsContact C-N 3.32Å; E625-L627 PolarHBondContact O-N 2.7Å; E625-Q628 PolarHBondContact O-N 3.15Å; E625-N629 VanDerWaalsContact O-CG 3.31Å; E625-N629 PolarHBondContact O-N 3.45Å; E625-N629 PolarHBondContact O-ND2 3.21Å
626R86.3Confident86.2Confident162 Ų162106.3 Ų106.361%0.61152%0.519SS*.Hα-helixtrans-61.5-41.6173.6-73.5173.6-172.9-174.34.5111.6E622 S623 N629 H630E622-R626 WeakPolarHBondContact O-CB 3.44Å; E622-R626 VanDerWaalsContact O-CG 3.25Å; E622-R626 WeakPolarHBondContact O-CG 3.18Å; E622-R626 PolarHBondContact O-N 3.46Å; E622-R626 IonicContact OE1-CZ 3.31Å; E622-R626 IonicContact OE1-NE 2.7Å; E622-R626 IonicContact OE1-NH2 3.16Å; E622-R626 PolarHBondContact OE1-NH2 3.07Å; S623-R626 PolarHBondContact O-N 3.13Å; R626-N629 PolarHBondContact O-N 3.37Å; R626-H630 PolarHBondContact O-N 2.78Å
627L87.8Confident86.2Confident94 Ų94105.3 Ų105.349%0.49252%0.519SS..Hα-helixtrans-65.6-44177.4-178.960.9000111.8S623 N624 E625 H630 L631S623-L627 WeakPolarHBondContact O-CB 3.43Å; S623-L627 PolarHBondContact O-N 2.63Å; N624-L627 PolarHBondContact O-N 3.11Å; E625-L627 VanDerWaalsContact C-N 3.32Å; E625-L627 PolarHBondContact O-N 2.7Å; L627-H630 PolarHBondContact O-N 3.2Å; L627-L631 HydrophobicContact CD1-CD1 4.26Å; L627-L631 HydrophobicContact CG-CD1 4.03Å; L627-L631 PolarHBondContact O-N 3.08Å
628Q88Confident85.7Confident113 Ų113105.1 Ų105.153%0.52852%0.518SS..Hα-helixtrans-61.2-43.3176.1-74.51795.500112N624 E625 H630 L631 Q632N624-Q628 WeakPolarHBondContact O-CG 3.15Å; N624-Q628 PolarHBondContact O-N 2.69Å; E625-Q628 PolarHBondContact O-N 3.15Å; Q628-H630 VanDerWaalsContact C-N 3.34Å; Q628-H630 PolarHBondContact O-N 3.47Å; Q628-L631 PolarHBondContact O-N 2.91Å; Q628-Q632 WeakPolarHBondContact O-CB 3.49Å; Q628-Q632 PolarHBondContact O-N 2.91Å
629N89.5Confident85.4Confident103 Ų103103.5 Ų103.555%0.55151%0.512SS*.Hα-helixtrans-60.9-43.4174.8-73.4-31.7000111.7E625 R626 L631 Q632 E633E625-N629 VanDerWaalsContact O-CG 3.31Å; E625-N629 PolarHBondContact O-N 3.45Å; E625-N629 PolarHBondContact O-ND2 3.21Å; R626-N629 PolarHBondContact O-N 3.37Å; N629-L631 PolarHBondContact O-N 3.02Å; N629-Q632 PolarHBondContact O-N 2.84Å; N629-E633 WeakPolarHBondContact O-CG 3.24Å; N629-E633 PolarHBondContact O-N 3.27Å
630H87.2Confident85.2Confident112 Ų112104.6 Ų104.652%0.51952%0.515SS..Hα-helixtrans-65.8-39178.2-168.553.5000112.7R626 L627 Q628 E633 R634R626-H630 PolarHBondContact O-N 2.78Å; L627-H630 PolarHBondContact O-N 3.2Å; Q628-H630 VanDerWaalsContact C-N 3.34Å; Q628-H630 PolarHBondContact O-N 3.47Å; H630-E633 IonicContact ND1-OE2 2.71Å; H630-E633 PolarHBondContact O-N 3.43Å; H630-R634 WeakPolarHBondContact O-CB 3.14Å; H630-R634 PolarHBondContact O-N 2.88Å
631L84.5Confident85.3Confident96 Ų96106.6 Ų106.650%0.50352%0.519SS..Hα-helixtrans-62.2-42.8172.3-89.3150.4000111.7L627 Q628 N629 R634 M635L627-L631 HydrophobicContact CD1-CD1 4.26Å; L627-L631 HydrophobicContact CG-CD1 4.03Å; L627-L631 PolarHBondContact O-N 3.08Å; Q628-L631 PolarHBondContact O-N 2.91Å; N629-L631 PolarHBondContact O-N 3.02Å; L631-R634 PolarHBondContact O-N 3.36Å; L631-M635 WeakPolarHBondContact O-CG 3.37Å; L631-M635 PolarHBondContact O-N 2.97Å
632Q87.7Confident85.1Confident133 Ų133107.8 Ų107.862%0.62152%0.524SS*.Hα-helixtrans-63.3-43.4177-174.763.418.900112Q628 N629 R634 M635 S636Q628-Q632 WeakPolarHBondContact O-CB 3.49Å; Q628-Q632 PolarHBondContact O-N 2.91Å; N629-Q632 PolarHBondContact O-N 2.84Å; Q632-R634 VanDerWaalsContact C-N 3.32Å; Q632-R634 PolarHBondContact O-N 3.09Å; Q632-M635 PolarHBondContact O-N 2.93Å; Q632-S636 PolarHBondContact O-N 3.34Å
633E84.2Confident85.1Confident131 Ų131108.1 Ų108.161%0.61253%0.529SS*.Hα-helixtrans-60.8-41.9173.5-73.9176.7178.200111.5N629 H630 S636 A637N629-E633 WeakPolarHBondContact O-CG 3.24Å; N629-E633 PolarHBondContact O-N 3.27Å; H630-E633 IonicContact ND1-OE2 2.71Å; H630-E633 PolarHBondContact O-N 3.43Å; E633-S636 PolarHBondContact O-N 3.32Å; E633-A637 WeakPolarHBondContact O-CB 3.2Å; E633-A637 PolarHBondContact O-N 3.45Å
634R85.8Confident85Confident170 Ų170109.6 Ų109.664%0.64253%0.531SS*.Hα-helixtrans-65.3-40.2177-172.3174.5178.5141.1-2.6112.2H630 L631 Q632 A637 L638H630-R634 WeakPolarHBondContact O-CB 3.14Å; H630-R634 PolarHBondContact O-N 2.88Å; L631-R634 PolarHBondContact O-N 3.36Å; Q632-R634 VanDerWaalsContact C-N 3.32Å; Q632-R634 PolarHBondContact O-N 3.09Å; R634-A637 PolarHBondContact O-N 3.42Å; R634-L638 HydrophobicContact CG-CD1 4.41Å; R634-L638 WeakPolarHBondContact O-CB 3.33Å; R634-L638 VanDerWaalsContact O-CG 3.31Å; R634-L638 WeakPolarHBondContact O-CG 3.34Å; R634-L638 PolarHBondContact O-N 3.08Å
635M79.6Confident84.9Confident102 Ų102109.5 Ų109.550%0.50254%0.536SS..Hα-helixtrans-62.8-45.5174.3-74.7-66.8-67.100111.1L631 Q632 A637 L638 E639L631-M635 WeakPolarHBondContact O-CG 3.37Å; L631-M635 PolarHBondContact O-N 2.97Å; Q632-M635 PolarHBondContact O-N 2.93Å; M635-A637 PolarHBondContact O-N 3.02Å; M635-L638 PolarHBondContact O-N 3.44Å; M635-E639 PolarHBondContact O-N 2.75Å
636S83.1Confident84.8Confident51 Ų51109.8 Ų109.836%0.35754%0.54SS..Hα-helixtrans-63.6-40.4176.7-170.60000112.6Q632 E633 L638 E639 Q640Q632-S636 PolarHBondContact O-N 3.34Å; E633-S636 PolarHBondContact O-N 3.32Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-L638 PolarHBondContact O-N 3.45Å; S636-E639 PolarHBondContact O-N 2.87Å; S636-Q640 WeakPolarHBondContact O-CG 3.42Å; S636-Q640 PolarHBondContact O-N 3.15Å
637A83.3Confident84.7Confident55 Ų55106.2 Ų106.246%0.45553%0.531SS..Hα-helixtrans-65.5-36.5175.300000112.4E633 R634 M635 Q640 K641E633-A637 WeakPolarHBondContact O-CB 3.2Å; E633-A637 PolarHBondContact O-N 3.45Å; R634-A637 PolarHBondContact O-N 3.42Å; M635-A637 PolarHBondContact O-N 3.02Å; A637-Q640 PolarHBondContact O-N 3.3Å; A637-K641 WeakPolarHBondContact O-CB 3.19Å; A637-K641 PolarHBondContact O-N 3.05Å
638L78.7Confident84.4Confident90 Ų90106.5 Ų106.547%0.47154%0.536SS..Hα-helixtrans-66.7-41.5174.3-76.7170000111.9R634 M635 S636 K641 Q642R634-L638 HydrophobicContact CG-CD1 4.41Å; R634-L638 WeakPolarHBondContact O-CB 3.33Å; R634-L638 VanDerWaalsContact O-CG 3.31Å; R634-L638 WeakPolarHBondContact O-CG 3.34Å; R634-L638 PolarHBondContact O-N 3.08Å; M635-L638 PolarHBondContact O-N 3.44Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-L638 PolarHBondContact O-N 3.45Å; L638-K641 PolarHBondContact O-N 3.31Å; L638-Q642 WeakPolarHBondContact O-CB 3.31Å; L638-Q642 PolarHBondContact O-N 3.49Å
639E83.6Confident84.1Confident123 Ų123104.7 Ų104.758%0.57553%0.528SS*.Hα-helixtrans-62.4-43.6173.5-74177.4177.300112M635 S636 K641 Q642 N643M635-E639 PolarHBondContact O-N 2.75Å; S636-E639 PolarHBondContact O-N 2.87Å; E639-K641 PolarHBondContact O-N 3Å; E639-Q642 PolarHBondContact O-N 3.27Å; E639-N643 PolarHBondContact O-N 2.96Å
640Q83.1Confident83.9Confident126 Ų126106.3 Ų106.359%0.58953%0.532SS*.Hα-helixtrans-61.4-43.6174.4-74.4-178.95.700111.7S636 A637 Q642 N643 L644S636-Q640 WeakPolarHBondContact O-CG 3.42Å; S636-Q640 PolarHBondContact O-N 3.15Å; A637-Q640 PolarHBondContact O-N 3.3Å; Q640-Q642 VanDerWaalsContact C-N 3.33Å; Q640-Q642 PolarHBondContact O-N 3.41Å; Q640-N643 PolarHBondContact O-N 3.23Å; Q640-L644 WeakPolarHBondContact O-CG 3.15Å; Q640-L644 PolarHBondContact O-N 3.38Å
641K85Confident83.7Confident146 Ų146106.3 Ų106.364%0.63554%0.535SS*.Hα-helixtrans-61-42175.1-178-176.2174.3-174.60111.5A637 L638 E639 L644 S645A637-K641 WeakPolarHBondContact O-CB 3.19Å; A637-K641 PolarHBondContact O-N 3.05Å; L638-K641 PolarHBondContact O-N 3.31Å; E639-K641 PolarHBondContact O-N 3Å; K641-L644 PolarHBondContact O-N 3.4Å; K641-S645 WeakPolarHBondContact O-CB 3.49Å; K641-S645 PolarHBondContact O-N 2.94Å
642Q84.7Confident83.6Confident129 Ų129106.9 Ų106.960%0.60353%0.533SS*.Hα-helixtrans-63.9-42176.6-173.5177.1-2.300111.5L638 E639 Q640 S645 N646L638-Q642 WeakPolarHBondContact O-CB 3.31Å; L638-Q642 PolarHBondContact O-N 3.49Å; E639-Q642 PolarHBondContact O-N 3.27Å; Q640-Q642 VanDerWaalsContact C-N 3.33Å; Q640-Q642 PolarHBondContact O-N 3.41Å; Q642-S645 PolarHBondContact O-N 3.47Å; Q642-N646 VanDerWaalsContact O-CG 3.3Å; Q642-N646 PolarHBondContact O-N 3.12Å; Q642-N646 PolarHBondContact O-ND2 3.16Å
643N87.8Confident83.5Confident93 Ų93107.8 Ų107.850%0.49753%0.531SS..Hα-helixtrans-63.1-46.8175.2-169.3-12.6000111.7E639 Q640 S645 N646 Q647E639-N643 PolarHBondContact O-N 2.96Å; Q640-N643 PolarHBondContact O-N 3.23Å; N643-S645 VanDerWaalsContact C-N 3.32Å; N643-S645 PolarHBondContact O-N 3.43Å; N643-N646 WeakPolarHBondContact O-CB 3.46Å; N643-N646 PolarHBondContact O-N 3.49Å; N643-N646 VanDerWaalsContact O-N 3.17Å; N643-Q647 WeakPolarHBondContact O-CG 3.45Å; N643-Q647 PolarHBondContact O-N 3.49Å; N643-Q647 PolarHBondContact OD1-NE2 2.96Å
644L82.8Confident83.4Confident103 Ų103104.2 Ų104.254%0.53952%0.523SS..Hα-helixtrans-61.4-40175.5-72.2171.4000112.1Q640 K641 N646 Q647 V648Q640-L644 WeakPolarHBondContact O-CG 3.15Å; Q640-L644 PolarHBondContact O-N 3.38Å; K641-L644 PolarHBondContact O-N 3.4Å; L644-N646 VanDerWaalsContact C-N 3.32Å; L644-N646 PolarHBondContact O-N 3.28Å; L644-Q647 PolarHBondContact O-N 3.35Å; L644-V648 WeakPolarHBondContact O-CG2 3.45Å; L644-V648 PolarHBondContact O-N 3.49Å
645S80.6Confident83.3Confident75 Ų75101.1 Ų101.152%0.52452%0.519SS..Hα-helixtrans-60.6-42.4174.7-168.50000111.7K641 Q642 N643 V648 E649K641-S645 WeakPolarHBondContact O-CB 3.49Å; K641-S645 PolarHBondContact O-N 2.94Å; Q642-S645 PolarHBondContact O-N 3.47Å; N643-S645 VanDerWaalsContact C-N 3.32Å; N643-S645 PolarHBondContact O-N 3.43Å; S645-V648 PolarHBondContact O-N 2.86Å; S645-E649 WeakPolarHBondContact O-CB 3.42Å; S645-E649 PolarHBondContact O-N 2.85Å
646N87.1Confident83.4Confident98 Ų98100.5 Ų100.552%0.52452%0.515SS..Hα-helixtrans-66.1-38.4176-69.6-18.4000112Q642 N643 L644 E649 Q650Q642-N646 VanDerWaalsContact O-CG 3.3Å; Q642-N646 PolarHBondContact O-N 3.12Å; Q642-N646 PolarHBondContact O-ND2 3.16Å; N643-N646 WeakPolarHBondContact O-CB 3.46Å; N643-N646 PolarHBondContact O-N 3.49Å; N643-N646 VanDerWaalsContact O-N 3.17Å; L644-N646 VanDerWaalsContact C-N 3.32Å; L644-N646 PolarHBondContact O-N 3.28Å; N646-E649 PolarHBondContact O-N 3.27Å; N646-Q650 WeakPolarHBondContact O-CB 3.47Å; N646-Q650 PolarHBondContact O-N 2.92Å
647Q85Confident83.5Confident88 Ų88101 Ų10141%0.41152%0.516SS..Hα-helixtrans-65.8-41.9175.2-71.1177.828.500112.1N643 L644 E649 Q650 I651N643-Q647 WeakPolarHBondContact O-CG 3.45Å; N643-Q647 PolarHBondContact O-N 3.49Å; N643-Q647 PolarHBondContact OD1-NE2 2.96Å; L644-Q647 PolarHBondContact O-N 3.35Å; Q647-E649 VanDerWaalsContact C-N 3.33Å; Q647-E649 PolarHBondContact O-N 2.86Å; Q647-Q650 PolarHBondContact O-N 2.92Å; Q647-I651 VanDerWaalsContact O-CG1 3.28Å; Q647-I651 WeakPolarHBondContact O-CG1 3.33Å; Q647-I651 PolarHBondContact O-N 3.28Å
648V80.6Confident83.4Confident99 Ų99100.7 Ų100.760%0.651%0.513SS*.Hα-helixtrans-61.2-44.4175.1169.40000110.6L644 S645 I651 K652L644-V648 WeakPolarHBondContact O-CG2 3.45Å; L644-V648 PolarHBondContact O-N 3.49Å; S645-V648 PolarHBondContact O-N 2.86Å; V648-I651 PolarHBondContact O-N 3.26Å; V648-K652 WeakPolarHBondContact O-CB 3.48Å; V648-K652 PolarHBondContact O-N 3.48Å
649E81.7Confident83.7Confident75 Ų75100 Ų10035%0.3551%0.51SS..Hα-helixtrans-64.3-39.6177.1-176.456.5-15200111.9S645 N646 Q647 K652 R653S645-E649 WeakPolarHBondContact O-CB 3.42Å; S645-E649 PolarHBondContact O-N 2.85Å; N646-E649 PolarHBondContact O-N 3.27Å; Q647-E649 VanDerWaalsContact C-N 3.33Å; Q647-E649 PolarHBondContact O-N 2.86Å; E649-K652 PolarHBondContact O-N 3.27Å; E649-R653 WeakPolarHBondContact O-CG 3.39Å; E649-R653 PolarHBondContact O-N 2.88Å; E649-R653 IonicContact OE1-CZ 3.89Å; E649-R653 IonicContact OE1-NE 3.96Å; E649-R653 PolarHBondContact OE1-NE 2.9Å; E649-R653 VanDerWaalsContact OE1-NE 3.15Å; E649-R653 IonicContact OE1-NH2 2.57Å; E649-R653 PolarHBondContact OE1-NH2 2.94Å
650Q86.5Confident83.7Confident137 Ų137101.7 Ų101.764%0.6451%0.511SS*.Hα-helixtrans-63.6-44.2174.2-172.3178.517.200112.2N646 Q647 K652 R653 A654N646-Q650 WeakPolarHBondContact O-CB 3.47Å; N646-Q650 PolarHBondContact O-N 2.92Å; Q647-Q650 PolarHBondContact O-N 2.92Å; Q650-K652 VanDerWaalsContact C-N 3.33Å; Q650-R653 PolarHBondContact O-N 3.32Å; Q650-A654 WeakPolarHBondContact O-CB 3.46Å; Q650-A654 PolarHBondContact O-N 3.14Å
651I83.1Confident83.9Confident112 Ų112101.8 Ų101.857%0.57451%0.511SS*.Hα-helixtrans-64.3-40176.7-69.6166.7000110.6Q647 V648 A654 L655Q647-I651 VanDerWaalsContact O-CG1 3.28Å; Q647-I651 WeakPolarHBondContact O-CG1 3.33Å; Q647-I651 PolarHBondContact O-N 3.28Å; V648-I651 PolarHBondContact O-N 3.26Å; I651-A654 PolarHBondContact O-N 3.44Å; I651-L655 WeakPolarHBondContact O-CB 3.46Å; I651-L655 PolarHBondContact O-N 3.49Å
652K81.9Confident83.7Confident109 Ų109103 Ų10347%0.47451%0.511SS..Hα-helixtrans-60.9-46.9176.6-173.2-175.4172.8-1630111.4V648 E649 Q650 A654 L655 E656V648-K652 WeakPolarHBondContact O-CB 3.48Å; V648-K652 PolarHBondContact O-N 3.48Å; E649-K652 PolarHBondContact O-N 3.27Å; Q650-K652 VanDerWaalsContact C-N 3.33Å; K652-A654 VanDerWaalsContact C-N 3.34Å; K652-A654 PolarHBondContact O-N 3.18Å; K652-L655 WeakPolarHBondContact O-CB 3.11Å; K652-L655 PolarHBondContact O-N 3.01Å; K652-E656 VanDerWaalsContact CE-OE1 3.28Å; K652-E656 WeakPolarHBondContact CE-OE1 3.31Å; K652-E656 WeakPolarHBondContact O-CG 3.49Å; K652-E656 PolarHBondContact O-N 3.43Å
653R85.8Confident83.8Confident152 Ų152102 Ų10257%0.57451%0.507SS*.Hα-helixtrans-61.8-41.2175.2-68.3179.1-157.9170.24.1112.2E649 Q650 L655 E656 T657E649-R653 WeakPolarHBondContact O-CG 3.39Å; E649-R653 PolarHBondContact O-N 2.88Å; E649-R653 IonicContact OE1-CZ 3.89Å; E649-R653 IonicContact OE1-NE 3.96Å; E649-R653 PolarHBondContact OE1-NE 2.9Å; E649-R653 VanDerWaalsContact OE1-NE 3.15Å; E649-R653 IonicContact OE1-NH2 2.57Å; E649-R653 PolarHBondContact OE1-NH2 2.94Å; Q650-R653 PolarHBondContact O-N 3.32Å; R653-L655 VanDerWaalsContact C-N 3.32Å; R653-L655 PolarHBondContact O-N 2.98Å; R653-E656 PolarHBondContact O-N 3.47Å; R653-T657 PolarHBondContact O-N 3.07Å; R653-T657 PolarHBondContact O-OG1 3.45Å
654A81.8Confident83.7Confident55 Ų55100 Ų10046%0.45550%0.504SS..Hα-helixtrans-63.9-37176.500000112.4Q650 I651 K652 T657 A658Q650-A654 WeakPolarHBondContact O-CB 3.46Å; Q650-A654 PolarHBondContact O-N 3.14Å; I651-A654 PolarHBondContact O-N 3.44Å; K652-A654 VanDerWaalsContact C-N 3.34Å; K652-A654 PolarHBondContact O-N 3.18Å; A654-T657 VanDerWaalsContact C-OG1 3.28Å; A654-T657 VanDerWaalsContact CA-OG1 3.31Å; A654-T657 WeakPolarHBondContact CA-OG1 3.49Å; A654-T657 PolarHBondContact O-OG1 3.48Å; A654-A658 WeakPolarHBondContact O-CB 3.5Å; A654-A658 PolarHBondContact O-N 2.98Å
655L82.9Confident83.7Confident105 Ų10599.9 Ų99.955%0.5550%0.504SS..Hα-helixtrans-68.1-43.7174.6-178.463.9000111.5I651 K652 R653 T657 A658 I659I651-L655 WeakPolarHBondContact O-CB 3.46Å; I651-L655 PolarHBondContact O-N 3.49Å; K652-L655 WeakPolarHBondContact O-CB 3.11Å; K652-L655 PolarHBondContact O-N 3.01Å; R653-L655 VanDerWaalsContact C-N 3.32Å; R653-L655 PolarHBondContact O-N 2.98Å; L655-T657 VanDerWaalsContact C-N 3.3Å; L655-T657 PolarHBondContact O-N 3.34Å; L655-A658 PolarHBondContact O-N 3.33Å; L655-I659 HydrophobicContact CD1-CD1 4.35Å; L655-I659 HydrophobicContact CD1-CG1 4.48Å; L655-I659 HydrophobicContact CG-CD1 4.02Å; L655-I659 VanDerWaalsContact O-CG1 3.32Å; L655-I659 WeakPolarHBondContact O-CG1 3.3Å; L655-I659 PolarHBondContact O-N 3.18Å
656E83.1Confident84Confident89 Ų8999.7 Ų99.742%0.41650%0.496SS..Hα-helixtrans-62.2-35.9175.9-73.2170.2-175.500112.3K652 R653 R660K652-E656 VanDerWaalsContact CE-OE1 3.28Å; K652-E656 WeakPolarHBondContact CE-OE1 3.31Å; K652-E656 WeakPolarHBondContact O-CG 3.49Å; K652-E656 PolarHBondContact O-N 3.43Å; R653-E656 PolarHBondContact O-N 3.47Å; E656-R660 PolarHBondContact O-N 3.16Å
657T85.2Confident84Confident61 Ų6199.2 Ų99.237%0.37450%0.497SS..Hα-helixtrans-67.2-43.9171.446.40000112R653 A654 L655 I659 R660 E661R653-T657 PolarHBondContact O-N 3.07Å; R653-T657 PolarHBondContact O-OG1 3.45Å; A654-T657 VanDerWaalsContact C-OG1 3.28Å; A654-T657 VanDerWaalsContact CA-OG1 3.31Å; A654-T657 WeakPolarHBondContact CA-OG1 3.49Å; A654-T657 PolarHBondContact O-OG1 3.48Å; L655-T657 VanDerWaalsContact C-N 3.3Å; L655-T657 PolarHBondContact O-N 3.34Å; T657-I659 VanDerWaalsContact C-N 3.32Å; T657-I659 PolarHBondContact O-N 3Å; T657-R660 PolarHBondContact O-N 3.03Å; T657-E661 WeakPolarHBondContact O-CG 3.35Å; T657-E661 PolarHBondContact O-N 3.42Å
658A80.5Confident84.1Confident49 Ų49100.4 Ų100.441%0.40550%0.502SS..Hα-helixtrans-65.2-34.8178.900000112.6A654 L655 R662A654-A658 WeakPolarHBondContact O-CB 3.5Å; A654-A658 PolarHBondContact O-N 2.98Å; L655-A658 PolarHBondContact O-N 3.33Å; A658-R662 WeakPolarHBondContact O-CB 3.47Å; A658-R662 PolarHBondContact O-N 3.15Å
659I84.1Confident84Confident77 Ų7798 Ų9840%0.39549%0.49SS..Hα-helixtrans-65.5-47.1174.2-69.5167.6000110.4L655 T657 E661 R662 E663L655-I659 HydrophobicContact CD1-CD1 4.35Å; L655-I659 HydrophobicContact CD1-CG1 4.48Å; L655-I659 HydrophobicContact CG-CD1 4.02Å; L655-I659 VanDerWaalsContact O-CG1 3.32Å; L655-I659 WeakPolarHBondContact O-CG1 3.3Å; L655-I659 PolarHBondContact O-N 3.18Å; T657-I659 VanDerWaalsContact C-N 3.32Å; T657-I659 PolarHBondContact O-N 3Å; I659-E661 VanDerWaalsContact C-N 3.34Å; I659-E661 PolarHBondContact O-N 3.21Å; I659-R662 WeakPolarHBondContact O-CB 3.49Å; I659-R662 PolarHBondContact O-N 3.08Å; I659-R662 VanDerWaalsContact O-N 3.14Å; I659-E663 HydrophobicContact CG2-CG 4.45Å; I659-E663 WeakPolarHBondContact O-CG 3.4Å; I659-E663 PolarHBondContact O-N 3.48Å
660R84.5Confident84.1Confident158 Ų158100.5 Ų100.560%0.59650%0.503SS*.Hα-helixtrans-60.4-41.8177-78.8-174-74.8158.1-7.5112.6E656 T657 E663 A664E656-R660 PolarHBondContact O-N 3.16Å; T657-R660 PolarHBondContact O-N 3.03Å; R660-E663 PolarHBondContact O-N 2.9Å; R660-A664 WeakPolarHBondContact O-CB 3.43Å; R660-A664 PolarHBondContact O-N 3.47Å
661E86.2Confident84.2Confident127 Ų12798.1 Ų98.159%0.59349%0.494SS*.Hα-helixtrans-63.2-41.3174.4-73.6176.1-174.400111.8T657 I659 A664 N665T657-E661 WeakPolarHBondContact O-CG 3.35Å; T657-E661 PolarHBondContact O-N 3.42Å; I659-E661 VanDerWaalsContact C-N 3.34Å; I659-E661 PolarHBondContact O-N 3.21Å; E661-A664 PolarHBondContact O-N 3.36Å; E661-N665 WeakPolarHBondContact O-CB 3.39Å; E661-N665 PolarHBondContact O-N 3.35Å; E661-N665 PolarHBondContact O-ND2 2.91Å; E661-N665 VanDerWaalsContact O-ND2 3.17Å
662R82.1Confident84.3Confident171 Ų17197.7 Ų97.765%0.64549%0.493SS*.Hα-helixtrans-63.5-42.3175.8-178.8177178.1-105.31111.9A658 I659 N665 I666A658-R662 WeakPolarHBondContact O-CB 3.47Å; A658-R662 PolarHBondContact O-N 3.15Å; I659-R662 WeakPolarHBondContact O-CB 3.49Å; I659-R662 PolarHBondContact O-N 3.08Å; I659-R662 VanDerWaalsContact O-N 3.14Å; R662-N665 PolarHBondContact O-N 3.14Å; R662-I666 HydrophobicContact CG-CD1 4Å; R662-I666 VanDerWaalsContact O-CG1 3.24Å; R662-I666 WeakPolarHBondContact O-CG1 3.49Å; R662-I666 PolarHBondContact O-N 3.41Å
663E86.6Confident84.4Confident108 Ų108101.1 Ų101.151%0.50550%0.503SS..Hα-helixtrans-64-43.8177-73.1172.5169.100111.4I659 R660 N665 I666 T667I659-E663 HydrophobicContact CG2-CG 4.45Å; I659-E663 WeakPolarHBondContact O-CG 3.4Å; I659-E663 PolarHBondContact O-N 3.48Å; R660-E663 PolarHBondContact O-N 2.9Å; E663-N665 PolarHBondContact O-N 3.11Å; E663-I666 PolarHBondContact O-N 3.47Å; E663-T667 WeakPolarHBondContact O-CG2 3.44Å; E663-T667 PolarHBondContact O-N 3.39Å; E663-T667 PolarHBondContact O-OG1 2.84Å
664A85.3Confident84.4Confident53 Ų5399.1 Ų99.144%0.43850%0.5SS..Hα-helixtrans-60.7-41.6173.700000112.5R660 E661 I666 T667 E668R660-A664 WeakPolarHBondContact O-CB 3.43Å; R660-A664 PolarHBondContact O-N 3.47Å; E661-A664 PolarHBondContact O-N 3.36Å; A664-I666 VanDerWaalsContact C-N 3.32Å; A664-I666 PolarHBondContact O-N 3.29Å; A664-T667 PolarHBondContact O-N 2.97Å; A664-T667 PolarHBondContact O-OG1 3Å; A664-E668 PolarHBondContact O-N 3.42Å
665N83.1Confident84.7Confident99 Ų99102.3 Ų102.353%0.52950%0.504SS..Hα-helixtrans-67.1-32.9176.3-71.5-28.3000112.5E661 R662 E663 S669E661-N665 WeakPolarHBondContact O-CB 3.39Å; E661-N665 PolarHBondContact O-N 3.35Å; E661-N665 PolarHBondContact O-ND2 2.91Å; E661-N665 VanDerWaalsContact O-ND2 3.17Å; R662-N665 PolarHBondContact O-N 3.14Å; E663-N665 PolarHBondContact O-N 3.11Å; N665-S669 VanDerWaalsContact O-CB 3.29Å; N665-S669 WeakPolarHBondContact O-CB 3.44Å; N665-S669 PolarHBondContact O-N 3.07Å
666I86.1Confident84.7Confident71 Ų71103 Ų10336%0.36451%0.507SS..Hα-helixtrans-68.9-44.5175.9-71.4164.8000110.5R662 E663 A664 S669 M670R662-I666 HydrophobicContact CG-CD1 4Å; R662-I666 VanDerWaalsContact O-CG1 3.24Å; R662-I666 WeakPolarHBondContact O-CG1 3.49Å; R662-I666 PolarHBondContact O-N 3.41Å; E663-I666 PolarHBondContact O-N 3.47Å; A664-I666 VanDerWaalsContact C-N 3.32Å; A664-I666 PolarHBondContact O-N 3.29Å; I666-S669 PolarHBondContact O-N 3.2Å; I666-M670 HydrophobicContact CG2-SD 4.39Å; I666-M670 WeakPolarHBondContact O-CG 3.18Å; I666-M670 PolarHBondContact O-N 2.99Å
667T87Confident84.8Confident89 Ų89102.2 Ų102.255%0.54651%0.511SS..Hα-helixtrans-65-39.5177.857.10000111.5E663 A664 M670 L671E663-T667 WeakPolarHBondContact O-CG2 3.44Å; E663-T667 PolarHBondContact O-N 3.39Å; E663-T667 PolarHBondContact O-OG1 2.84Å; A664-T667 PolarHBondContact O-N 2.97Å; A664-T667 PolarHBondContact O-OG1 3Å; T667-M670 PolarHBondContact O-N 3.4Å; T667-L671 PolarHBondContact O-N 2.69Å
668E87.4Confident84.9Confident112 Ų112104.5 Ų104.552%0.52352%0.518SS..Hα-helixtrans-63.5-43.7173-169.7-179.7-176.300112A664 M670 L671 L672A664-E668 PolarHBondContact O-N 3.42Å; E668-M670 VanDerWaalsContact C-N 3.31Å; E668-M670 PolarHBondContact O-N 2.83Å; E668-L671 PolarHBondContact O-N 2.88Å; E668-L672 HydrophobicContact CG-CD1 4.17Å; E668-L672 PolarHBondContact O-N 3.5Å
669S78.9Confident85.2Confident50 Ų50108 Ų10835%0.3553%0.529SS..Hα-helixtrans-60.9-38.6174.3161.80000112.2N665 I666 L672 R673N665-S669 VanDerWaalsContact O-CB 3.29Å; N665-S669 WeakPolarHBondContact O-CB 3.44Å; N665-S669 PolarHBondContact O-N 3.07Å; I666-S669 PolarHBondContact O-N 3.2Å; S669-L672 PolarHBondContact O-N 3.32Å; S669-R673 WeakPolarHBondContact O-CG 3.37Å; S669-R673 PolarHBondContact O-N 3Å
670M83.9Confident85.2Confident127 Ų127106.2 Ų106.263%0.62653%0.526SS*.Hα-helixtrans-63.7-45174.3-76.2179.8151.500111.6I666 T667 E668 L672 R673 Q674I666-M670 HydrophobicContact CG2-SD 4.39Å; I666-M670 WeakPolarHBondContact O-CG 3.18Å; I666-M670 PolarHBondContact O-N 2.99Å; T667-M670 PolarHBondContact O-N 3.4Å; E668-M670 VanDerWaalsContact C-N 3.31Å; E668-M670 PolarHBondContact O-N 2.83Å; M670-L672 VanDerWaalsContact C-N 3.35Å; M670-L672 PolarHBondContact O-N 3.33Å; M670-R673 PolarHBondContact O-N 3.23Å; M670-Q674 PolarHBondContact O-N 3.49Å
671L87.7Confident85.2Confident86 Ų86101 Ų10145%0.4552%0.517SS..Hα-helixtrans-61.7-41.3176.3-174.570.2000112T667 E668 Q674 K675T667-L671 PolarHBondContact O-N 2.69Å; E668-L671 PolarHBondContact O-N 2.88Å; L671-Q674 WeakPolarHBondContact O-CB 3.15Å; L671-Q674 PolarHBondContact O-N 3.15Å; L671-K675 WeakPolarHBondContact O-CG 3.43Å; L671-K675 PolarHBondContact O-N 3.25Å
672L86.3Confident85.2Confident104 Ų10497.7 Ų97.755%0.54551%0.511SS..Hα-helixtrans-63.4-40.2175.2-81.4157.5000112.2E668 S669 M670 K675 L676E668-L672 HydrophobicContact CG-CD1 4.17Å; E668-L672 PolarHBondContact O-N 3.5Å; S669-L672 PolarHBondContact O-N 3.32Å; M670-L672 VanDerWaalsContact C-N 3.35Å; M670-L672 PolarHBondContact O-N 3.33Å; L672-K675 PolarHBondContact O-N 3.2Å; L672-L676 WeakPolarHBondContact O-CB 3.42Å; L672-L676 PolarHBondContact O-N 3.2Å
673R84.4Confident85.4Confident181 Ų18196 Ų9668%0.68351%0.508SS*.Hα-helixtrans-65.5-38.6174.6-74.1173.3-175.4-98.11.7111.9S669 M670 L676 S677S669-R673 WeakPolarHBondContact O-CG 3.37Å; S669-R673 PolarHBondContact O-N 3Å; M670-R673 PolarHBondContact O-N 3.23Å; R673-L676 PolarHBondContact O-N 3.03Å; R673-S677 WeakPolarHBondContact O-CB 3Å; R673-S677 PolarHBondContact O-N 3.35Å
674Q85.7Confident85.3Confident110 Ų11098.3 Ų98.351%0.51451%0.513SS..Hα-helixtrans-61.8-50173.6-177.5-179.41.300111M670 L671 L676 S677 E678M670-Q674 PolarHBondContact O-N 3.49Å; L671-Q674 WeakPolarHBondContact O-CB 3.15Å; L671-Q674 PolarHBondContact O-N 3.15Å; Q674-L676 VanDerWaalsContact C-N 3.29Å; Q674-L676 PolarHBondContact O-N 3.48Å; Q674-S677 WeakPolarHBondContact O-CA 3.21Å; Q674-S677 WeakPolarHBondContact O-CB 3.42Å; Q674-S677 PolarHBondContact O-N 3.09Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.28Å; Q674-E678 PolarHBondContact NE2-OE1 3.27Å; Q674-E678 PolarHBondContact O-N 2.94Å
675K86.9Confident85.3Confident122 Ų122103.2 Ų103.253%0.5352%0.521SS..Hα-helixtrans-58.7-39.3176.3-72.9-178.3178.9-179.60112.7L671 L672 E678 L679L671-K675 WeakPolarHBondContact O-CG 3.43Å; L671-K675 PolarHBondContact O-N 3.25Å; L672-K675 PolarHBondContact O-N 3.2Å; K675-E678 PolarHBondContact O-N 3.48Å; K675-L679 WeakPolarHBondContact O-CB 3.45Å; K675-L679 PolarHBondContact O-N 3.5Å
676L83.5Confident85.5Confident120 Ų120101.1 Ų101.163%0.62851%0.514SS*.Hα-helixtrans-66.8-38.6176-170.369.3000111.8L672 R673 Q674 L679 A680L672-L676 WeakPolarHBondContact O-CB 3.42Å; L672-L676 PolarHBondContact O-N 3.2Å; R673-L676 PolarHBondContact O-N 3.03Å; Q674-L676 VanDerWaalsContact C-N 3.29Å; Q674-L676 PolarHBondContact O-N 3.48Å; L676-L679 PolarHBondContact O-N 3.24Å; L676-A680 VanDerWaalsContact O-CB 3.29Å; L676-A680 WeakPolarHBondContact O-CB 3.2Å; L676-A680 PolarHBondContact O-N 2.9Å
677S86.2Confident85.4Confident71 Ų71103.2 Ų103.250%0.49752%0.522SS..Hα-helixtrans-64.3-43.8175-175.40000111.8R673 Q674 A680 A681R673-S677 WeakPolarHBondContact O-CB 3Å; R673-S677 PolarHBondContact O-N 3.35Å; Q674-S677 WeakPolarHBondContact O-CA 3.21Å; Q674-S677 WeakPolarHBondContact O-CB 3.42Å; Q674-S677 PolarHBondContact O-N 3.09Å; S677-A680 PolarHBondContact O-N 3.41Å; S677-A681 WeakPolarHBondContact O-CB 3.39Å; S677-A681 PolarHBondContact O-N 2.89Å
678E86Confident85.2Confident109 Ų109101.4 Ų101.451%0.50952%0.516SS..Hα-helixtrans-61.3-45.2174.8-73.5170.3-167.100111.4Q674 K675 A680 A681 A682Q674-E678 WeakPolarHBondContact CG-OE1 3.28Å; Q674-E678 PolarHBondContact NE2-OE1 3.27Å; Q674-E678 PolarHBondContact O-N 2.94Å; K675-E678 PolarHBondContact O-N 3.48Å; E678-A680 PolarHBondContact O-N 3.2Å; E678-A681 WeakPolarHBondContact O-CB 3.43Å; E678-A681 PolarHBondContact O-N 3.41Å; E678-A682 PolarHBondContact O-N 3.22Å
679L87.5Confident85.2Confident122 Ų122100.2 Ų100.264%0.63951%0.511SS*.Hα-helixtrans-63.9-40.2175.9-17168.2000111.9K675 L676 A681 A682 F683K675-L679 WeakPolarHBondContact O-CB 3.45Å; K675-L679 PolarHBondContact O-N 3.5Å; L676-L679 PolarHBondContact O-N 3.24Å; L679-A681 VanDerWaalsContact C-N 3.33Å; L679-A681 PolarHBondContact O-N 2.93Å; L679-A682 PolarHBondContact O-N 3.36Å; L679-F683 WeakPolarHBondContact O-CB 3.36Å; L679-F683 PolarHBondContact O-N 2.88Å
680A84.3Confident85.4Confident41 Ų41102.7 Ų102.734%0.33952%0.519SS..Hα-helixtrans-66.9-33.3175.500000112.3L676 S677 E678 R684L676-A680 VanDerWaalsContact O-CB 3.29Å; L676-A680 WeakPolarHBondContact O-CB 3.2Å; L676-A680 PolarHBondContact O-N 2.9Å; S677-A680 PolarHBondContact O-N 3.41Å; E678-A680 PolarHBondContact O-N 3.2Å; A680-R684 WeakPolarHBondContact O-CG 3.28Å; A680-R684 PolarHBondContact O-N 3.48Å; A680-R684 PolarHBondContact O-NE 3.29Å
681A84.9Confident85.3Confident48 Ų4899.1 Ų99.140%0.39751%0.51SS..Hα-helixtrans-68.1-44.8172.500000111.2S677 E678 L679 F683 R684 Y685S677-A681 WeakPolarHBondContact O-CB 3.39Å; S677-A681 PolarHBondContact O-N 2.89Å; E678-A681 WeakPolarHBondContact O-CB 3.43Å; E678-A681 PolarHBondContact O-N 3.41Å; L679-A681 VanDerWaalsContact C-N 3.33Å; L679-A681 PolarHBondContact O-N 2.93Å; A681-F683 VanDerWaalsContact C-N 3.32Å; A681-F683 PolarHBondContact O-N 3.07Å; A681-R684 PolarHBondContact O-N 3.09Å; A681-Y685 PolarHBondContact O-N 3.21Å
682A84.5Confident84.9Confident57 Ų5799.8 Ų99.847%0.47151%0.513SS..Hα-helixtrans-60.5-41174.400000112E678 L679 Y685 S686E678-A682 PolarHBondContact O-N 3.22Å; L679-A682 PolarHBondContact O-N 3.36Å; A682-Y685 PolarHBondContact O-N 3.35Å; A682-S686 PolarHBondContact O-N 2.96Å
683F86.2Confident84.7Confident135 Ų13597.4 Ų97.459%0.59251%0.508SS*.Hα-helixtrans-62.4-47.2174.9-174.9-97000111.7L679 A681 Y685 S686 Q687L679-F683 WeakPolarHBondContact O-CB 3.36Å; L679-F683 PolarHBondContact O-N 2.88Å; A681-F683 VanDerWaalsContact C-N 3.32Å; A681-F683 PolarHBondContact O-N 3.07Å; F683-Y685 VanDerWaalsContact C-N 3.31Å; F683-Y685 PolarHBondContact O-N 3.36Å; F683-S686 PolarHBondContact O-N 3.24Å; F683-S686 PolarHBondContact O-OG 3.43Å; F683-Q687 PolarHBondContact O-N 3.25Å
684R86.2Confident84.6Confident158 Ų15895 Ų9560%0.59650%0.504SS*.Hα-helixtrans-59.9-40.2175.8-78-176.9-83.5-166.8-1.7112.5A680 A681 Q687 A688A680-R684 WeakPolarHBondContact O-CG 3.28Å; A680-R684 PolarHBondContact O-N 3.48Å; A680-R684 PolarHBondContact O-NE 3.29Å; A681-R684 PolarHBondContact O-N 3.09Å; R684-Q687 PolarHBondContact O-N 2.94Å; R684-A688 WeakPolarHBondContact O-CB 3.5Å; R684-A688 PolarHBondContact O-N 3.25Å
685Y85.4Confident84.4Confident156 Ų15694.3 Ų94.361%0.61251%0.508SS*.Hα-helixtrans-61.5-46.5174.4-177.3-96.3000111.6A681 A682 F683 Q687 A688 Q689A681-Y685 PolarHBondContact O-N 3.21Å; A682-Y685 PolarHBondContact O-N 3.35Å; F683-Y685 VanDerWaalsContact C-N 3.31Å; F683-Y685 PolarHBondContact O-N 3.36Å; Y685-Q687 VanDerWaalsContact C-N 3.34Å; Y685-Q687 PolarHBondContact O-N 3.41Å; Y685-A688 PolarHBondContact O-N 2.89Å; Y685-Q689 HydrophobicContact CD1-CG 4.25Å; Y685-Q689 HydrophobicContact CE1-CG 3.91Å; Y685-Q689 WeakPolarHBondContact O-CG 3.14Å; Y685-Q689 PolarHBondContact O-N 3.25Å; Y685-Q689 PolarHBondContact OH-NE2 3.44Å
686S86.2Confident84.2Confident54 Ų5492.2 Ų92.238%0.37851%0.509SS..Hα-helixtrans-63.5-37.6176.874.40000113A682 F683 Q689 L690A682-S686 PolarHBondContact O-N 2.96Å; F683-S686 PolarHBondContact O-N 3.24Å; F683-S686 PolarHBondContact O-OG 3.43Å; S686-Q689 PolarHBondContact O-N 3.09Å; S686-L690 PolarHBondContact O-N 3.35Å
687Q85.1Confident84.2Confident116 Ų11690.1 Ų90.154%0.54250%0.501SS..Hα-helixtrans-67.4-39.8176.5-169.6177.325.800111.5F683 R684 Y685 L690 A691F683-Q687 PolarHBondContact O-N 3.25Å; R684-Q687 PolarHBondContact O-N 2.94Å; Y685-Q687 VanDerWaalsContact C-N 3.34Å; Y685-Q687 PolarHBondContact O-N 3.41Å; Q687-L690 PolarHBondContact O-N 3.18Å; Q687-A691 PolarHBondContact O-N 2.97Å
688A82.4Confident83.9Confident50 Ų5090.2 Ų90.241%0.41350%0.502SS..Hα-helixtrans-63.9-41.7174.200000111.8R684 Y685 L690 A691 I692R684-A688 WeakPolarHBondContact O-CB 3.5Å; R684-A688 PolarHBondContact O-N 3.25Å; Y685-A688 PolarHBondContact O-N 2.89Å; A688-L690 PolarHBondContact O-N 3.48Å; A688-A691 PolarHBondContact O-N 3Å; A688-I692 VanDerWaalsContact O-CG1 3.31Å; A688-I692 WeakPolarHBondContact O-CG1 3.47Å; A688-I692 PolarHBondContact O-N 3.18Å
689Q87.7Confident83.5Confident88 Ų8887.8 Ų87.841%0.41150%0.5SS..Hα-helixtrans-61.8-42.9175.3-71.1-69.32.800112.1Y685 S686 I692 A693Y685-Q689 HydrophobicContact CD1-CG 4.25Å; Y685-Q689 HydrophobicContact CE1-CG 3.91Å; Y685-Q689 WeakPolarHBondContact O-CG 3.14Å; Y685-Q689 PolarHBondContact O-N 3.25Å; Y685-Q689 PolarHBondContact OH-NE2 3.44Å; S686-Q689 PolarHBondContact O-N 3.09Å; Q689-I692 PolarHBondContact O-N 3.15Å; Q689-A693 PolarHBondContact O-N 3.13Å
690L82Confident83.3Confident101 Ų10184.2 Ų84.253%0.52949%0.488SS..Hα-helixtrans-61.8-42.4173.3-85.4164.2000112.1S686 Q687 A688 I692 A693 H694S686-L690 PolarHBondContact O-N 3.35Å; Q687-L690 PolarHBondContact O-N 3.18Å; A688-L690 PolarHBondContact O-N 3.48Å; L690-I692 VanDerWaalsContact C-N 3.35Å; L690-I692 PolarHBondContact O-N 3.06Å; L690-A693 PolarHBondContact O-N 3.49Å; L690-H694 PolarHBondContact O-CD2 3.05Å; L690-H694 PolarHBondContact O-N 3.27Å
691A81.7Confident83Confident53 Ų5387.7 Ų87.744%0.43850%0.497SS..Hα-helixtrans-61.8-41.6176.900000112Q687 A688 H694 T695Q687-A691 PolarHBondContact O-N 2.97Å; A688-A691 PolarHBondContact O-N 3Å; A691-H694 PolarHBondContact O-N 2.99Å; A691-T695 WeakPolarHBondContact O-CG2 3.3Å; A691-T695 PolarHBondContact O-N 3.26Å; A691-T695 PolarHBondContact O-OG1 3.14Å
692I80Confident82.7Confident100 Ų10088.1 Ų88.151%0.51350%0.501SS..Hα-helixtrans-63.7-41.9175.4-66.2164.3000111.1A688 Q689 L690 H694 T695 S696A688-I692 VanDerWaalsContact O-CG1 3.31Å; A688-I692 WeakPolarHBondContact O-CG1 3.47Å; A688-I692 PolarHBondContact O-N 3.18Å; Q689-I692 PolarHBondContact O-N 3.15Å; L690-I692 VanDerWaalsContact C-N 3.35Å; L690-I692 PolarHBondContact O-N 3.06Å; I692-H694 VanDerWaalsContact C-N 3.34Å; I692-H694 PolarHBondContact O-N 2.68Å; I692-T695 PolarHBondContact O-N 3.26Å; I692-T695 PolarHBondContact O-OG1 3.35Å; I692-S696 WeakPolarHBondContact O-CB 3.25Å; I692-S696 PolarHBondContact O-N 3.12Å
693A82.3Confident82.4Confident53 Ų5389.4 Ų89.444%0.43850%0.503SS..Hα-helixtrans-63.2-39.9176.100000112.2Q689 L690 T697Q689-A693 PolarHBondContact O-N 3.13Å; L690-A693 PolarHBondContact O-N 3.49Å; A693-T697 WeakPolarHBondContact O-CB 3.44Å; A693-T697 PolarHBondContact O-N 3.43Å; A693-T697 PolarHBondContact O-OG1 2.88Å
694H82.3Confident82Confident131 Ų13188.5 Ų88.561%0.60650%0.503SS*.Hα-helixtrans-67-42.4176.2-82.4-66.8000112.9L690 A691 I692 T697 S698L690-H694 PolarHBondContact O-CD2 3.05Å; L690-H694 PolarHBondContact O-N 3.27Å; A691-H694 PolarHBondContact O-N 2.99Å; I692-H694 VanDerWaalsContact C-N 3.34Å; I692-H694 PolarHBondContact O-N 2.68Å; H694-T697 PolarHBondContact O-N 2.9Å; H694-S698 WeakPolarHBondContact O-CB 3.47Å; H694-S698 PolarHBondContact O-N 2.66Å
695T81.5Confident81.5Confident95 Ų9587.5 Ų87.558%0.58351%0.507SS*.Hα-helixtrans-67.3-38.5177.155.40000111.6A691 I692 S698 A699A691-T695 WeakPolarHBondContact O-CG2 3.3Å; A691-T695 PolarHBondContact O-N 3.26Å; A691-T695 PolarHBondContact O-OG1 3.14Å; I692-T695 PolarHBondContact O-N 3.26Å; I692-T695 PolarHBondContact O-OG1 3.35Å; T695-S698 PolarHBondContact O-N 3.37Å; T695-A699 WeakPolarHBondContact O-CB 3.32Å; T695-A699 PolarHBondContact O-N 3.36Å
696S82.5Confident81.1Confident79 Ų7983 Ų8355%0.55250%0.502SS*.Hα-helixtrans-61.1-44.7172.4-176.10000112I692 A699 A700I692-S696 WeakPolarHBondContact O-CB 3.25Å; I692-S696 PolarHBondContact O-N 3.12Å; S696-A699 PolarHBondContact O-N 3.05Å; S696-A700 WeakPolarHBondContact O-CB 3.39Å; S696-A700 PolarHBondContact O-N 3.04Å
697T83.6Confident80.6Confident76 Ų7686.4 Ų86.447%0.46652%0.515SS..Hα-helixtrans-64.4-42.4177.1-56.40000111.9A693 H694 A700 Q701A693-T697 WeakPolarHBondContact O-CB 3.44Å; A693-T697 PolarHBondContact O-N 3.43Å; A693-T697 PolarHBondContact O-OG1 2.88Å; H694-T697 PolarHBondContact O-N 2.9Å; T697-A700 WeakPolarHBondContact O-CB 3.46Å; T697-A700 PolarHBondContact O-N 2.7Å; T697-Q701 WeakPolarHBondContact O-CG 3.41Å; T697-Q701 PolarHBondContact O-N 3.12Å
698S78.7Confident80.1Confident73 Ų7383.9 Ų83.951%0.5151%0.514SS..Hα-helixtrans-65.1-41.3176.8-174.10000111.9H694 T695 A700 Q701 A702H694-S698 WeakPolarHBondContact O-CB 3.47Å; H694-S698 PolarHBondContact O-N 2.66Å; T695-S698 PolarHBondContact O-N 3.37Å; S698-A700 VanDerWaalsContact C-N 3.35Å; S698-A700 PolarHBondContact O-N 3.26Å; S698-Q701 PolarHBondContact O-N 2.89Å; S698-A702 WeakPolarHBondContact O-CB 3.34Å; S698-A702 PolarHBondContact O-N 3.32Å
699A78.8Confident79.7Confident57 Ų5787.9 Ų87.947%0.47152%0.522SS..Hα-helixtrans-62.6-40.7173.800000112T695 S696 A702 T703T695-A699 WeakPolarHBondContact O-CB 3.32Å; T695-A699 PolarHBondContact O-N 3.36Å; S696-A699 PolarHBondContact O-N 3.05Å; A699-A702 PolarHBondContact O-N 3Å; A699-T703 WeakPolarHBondContact O-CG2 3.3Å; A699-T703 PolarHBondContact O-N 3.18Å; A699-T703 PolarHBondContact O-OG1 3.1Å
700A82.1Confident79Confident47 Ų4786.4 Ų86.439%0.38853%0.525SS..Hα-helixtrans-62.7-41.1172.700000112S696 T697 S698 T703 I704S696-A700 WeakPolarHBondContact O-CB 3.39Å; S696-A700 PolarHBondContact O-N 3.04Å; T697-A700 WeakPolarHBondContact O-CB 3.46Å; T697-A700 PolarHBondContact O-N 2.7Å; S698-A700 VanDerWaalsContact C-N 3.35Å; S698-A700 PolarHBondContact O-N 3.26Å; A700-T703 WeakPolarHBondContact CA-OG1 3.45Å; A700-T703 PolarHBondContact O-OG1 2.97Å; A700-I704 WeakPolarHBondContact O-CD1 3.37Å; A700-I704 VanDerWaalsContact O-CG1 3.26Å; A700-I704 WeakPolarHBondContact O-CG1 3.46Å; A700-I704 PolarHBondContact O-N 2.62Å; A700-I704 VanDerWaalsContact O-N 3.1Å
701Q79Confident78.4Confident114 Ų11485.3 Ų85.353%0.53353%0.525SS..Hα-helixtrans-66.4-41.2175.2-74.8179.2-7.800112.8T697 S698 T703 I704 M705T697-Q701 WeakPolarHBondContact O-CG 3.41Å; T697-Q701 PolarHBondContact O-N 3.12Å; S698-Q701 PolarHBondContact O-N 2.89Å; Q701-T703 PolarHBondContact O-N 2.94Å; Q701-I704 PolarHBondContact O-N 3.37Å; Q701-M705 PolarHBondContact O-N 3.32Å
702A78.1Confident77.8Confident58 Ų5885.7 Ų85.748%0.47953%0.529SS..Hα-helixtrans-63.4-40.5177.700000111.9S698 A699 M705 A706S698-A702 WeakPolarHBondContact O-CB 3.34Å; S698-A702 PolarHBondContact O-N 3.32Å; A699-A702 PolarHBondContact O-N 3Å; A702-M705 PolarHBondContact O-N 3.04Å; A702-A706 WeakPolarHBondContact O-CB 3.36Å; A702-A706 PolarHBondContact O-N 3.19Å
703T79.1Confident77.2Confident83 Ų8386 Ų8651%0.50953%0.528SS..Hα-helixtrans-65.9-39.517546.50000112.3A699 A700 Q701 A706 L707A699-T703 WeakPolarHBondContact O-CG2 3.3Å; A699-T703 PolarHBondContact O-N 3.18Å; A699-T703 PolarHBondContact O-OG1 3.1Å; A700-T703 WeakPolarHBondContact CA-OG1 3.45Å; A700-T703 PolarHBondContact O-OG1 2.97Å; Q701-T703 PolarHBondContact O-N 2.94Å; T703-A706 PolarHBondContact O-N 3.45Å; T703-L707 WeakPolarHBondContact O-CG 3.35Å; T703-L707 PolarHBondContact O-N 3.29Å
704I76.2Confident76.2Confident116 Ų11690.5 Ų90.560%0.59554%0.538SS*.Hα-helixtrans-61.7-44.6172.8-67.8165.9000111A700 Q701 L707 A708A700-I704 WeakPolarHBondContact O-CD1 3.37Å; A700-I704 VanDerWaalsContact O-CG1 3.26Å; A700-I704 WeakPolarHBondContact O-CG1 3.46Å; A700-I704 PolarHBondContact O-N 2.62Å; A700-I704 VanDerWaalsContact O-N 3.1Å; Q701-I704 PolarHBondContact O-N 3.37Å; I704-L707 PolarHBondContact O-N 3.37Å; I704-A708 WeakPolarHBondContact O-CB 3.49Å; I704-A708 PolarHBondContact O-N 2.83Å
705M77.4Confident75.2Confident138 Ų13888.2 Ų88.268%0.6853%0.533SS*.Hα-helixtrans-64.9-39.9176.4-77.8-171.4-159.900112.8Q701 A702 A708 K709Q701-M705 PolarHBondContact O-N 3.32Å; A702-M705 PolarHBondContact O-N 3.04Å; M705-A708 PolarHBondContact O-N 3.46Å; M705-K709 WeakPolarHBondContact O-CB 3.43Å; M705-K709 PolarHBondContact O-N 2.89Å
706A76.1Confident74.1Confident60 Ų6088.4 Ų88.450%0.49653%0.53SS..Hα-helixtrans-64.1-41177.300000111.8A702 T703 K709 A710A702-A706 WeakPolarHBondContact O-CB 3.36Å; A702-A706 PolarHBondContact O-N 3.19Å; T703-A706 PolarHBondContact O-N 3.45Å; A706-K709 PolarHBondContact O-N 2.9Å; A706-A710 WeakPolarHBondContact O-CB 3.24Å; A706-A710 PolarHBondContact O-N 2.93Å
707L75Confident72.7Confident127 Ų12791.3 Ų91.367%0.66554%0.537SS*.Hα-helixtrans-64.6-41.3174.1-75166.2000111.9T703 I704 A710 S711T703-L707 WeakPolarHBondContact O-CG 3.35Å; T703-L707 PolarHBondContact O-N 3.29Å; I704-L707 PolarHBondContact O-N 3.37Å; L707-A710 PolarHBondContact O-N 3.09Å; L707-S711 WeakPolarHBondContact O-CB 3.36Å; L707-S711 PolarHBondContact O-N 3.49Å
708A75Confident71.3Confident62 Ų6294.1 Ų94.151%0.51255%0.545SS..Hα-helixtrans-63.1-41.1175.100000112I704 M705 S711 A712I704-A708 WeakPolarHBondContact O-CB 3.49Å; I704-A708 PolarHBondContact O-N 2.83Å; M705-A708 PolarHBondContact O-N 3.46Å; A708-S711 PolarHBondContact O-N 3.42Å; A708-A712 PolarHBondContact O-N 3.25Å
709K74.8Confident70.2Confident135 Ų13599.6 Ų99.659%0.58755%0.554SS**Hα-helixtrans-66.8-44.9176.5-172.6177.5176-173.80112.3M705 A706 S711 A712 E713M705-K709 WeakPolarHBondContact O-CB 3.43Å; M705-K709 PolarHBondContact O-N 2.89Å; A706-K709 PolarHBondContact O-N 2.9Å; K709-S711 VanDerWaalsContact C-N 3.26Å; K709-S711 PolarHBondContact O-N 3.31Å; K709-A712 PolarHBondContact O-N 2.92Å; K709-A712 VanDerWaalsContact O-N 3.1Å; K709-E713 WeakPolarHBondContact CE-OE1 3.36Å; K709-E713 IonicContact NZ-OE1 3.98Å; K709-E713 PolarHBondContact O-N 3.15Å
710A73.1Confident68.6Low57 Ų57102.9 Ų102.947%0.47156%0.563SS.*Hα-helixtrans-61.6-35.6175.800000111.9A706 L707 K714A706-A710 WeakPolarHBondContact O-CB 3.24Å; A706-A710 PolarHBondContact O-N 2.93Å; L707-A710 PolarHBondContact O-N 3.09Å; A710-K714 PolarHBondContact O-N 3.22Å; A710-K714 VanDerWaalsContact O-N 3.12Å
711S69.8Low66.6Low77 Ų77109.3 Ų109.354%0.53859%0.585SS.*Hα-helixtrans-66-39.1173.2-173.60000112.5L707 A708 K709 V715L707-S711 WeakPolarHBondContact O-CB 3.36Å; L707-S711 PolarHBondContact O-N 3.49Å; A708-S711 PolarHBondContact O-N 3.42Å; K709-S711 VanDerWaalsContact C-N 3.26Å; K709-S711 PolarHBondContact O-N 3.31Å; S711-V715 PolarHBondContact O-N 3.01Å
712A69.1Low64.9Low62 Ų62112.1 Ų112.151%0.51260%0.598SS.*Hα-helixtrans-70.3-39176.800000112.5A708 K709 K714 V715 N716A708-A712 PolarHBondContact O-N 3.25Å; K709-A712 PolarHBondContact O-N 2.92Å; K709-A712 VanDerWaalsContact O-N 3.1Å; A712-K714 VanDerWaalsContact C-N 3.33Å; A712-K714 PolarHBondContact O-N 2.93Å; A712-V715 PolarHBondContact O-N 3.48Å; A712-N716 PolarHBondContact O-N 3.17Å; A712-N716 VanDerWaalsContact O-N 3.11Å
713E67Low62.8Low107 Ų107117.9 Ų117.950%0.562%0.615SS.*Hα-helixtrans-66.2-34.4176.9-76.3176.3-17900112.2K709 V715 N716 M717K709-E713 WeakPolarHBondContact CE-OE1 3.36Å; K709-E713 IonicContact NZ-OE1 3.98Å; K709-E713 PolarHBondContact O-N 3.15Å; E713-V715 VanDerWaalsContact C-N 3.34Å; E713-V715 PolarHBondContact O-N 3Å; E713-N716 PolarHBondContact O-N 3.42Å; E713-N716 VanDerWaalsContact O-N 3.17Å; E713-M717 PolarHBondContact O-N 3.36Å
714K60.5Low60.4Low146 Ų146122.1 Ų122.164%0.63563%0.629SS**Hα-helixtrans-61.8-41173.6-166.3179.9179.1-174.20112.2A710 A712 N716 E718A710-K714 PolarHBondContact O-N 3.22Å; A710-K714 VanDerWaalsContact O-N 3.12Å; A712-K714 VanDerWaalsContact C-N 3.33Å; A712-K714 PolarHBondContact O-N 2.93Å; K714-N716 VanDerWaalsContact C-N 3.3Å; K714-N716 PolarHBondContact O-N 3.46Å; K714-E718 PolarHBondContact O-N 2.87Å
715V62.6Low58.1Low83 Ų83122.8 Ų122.850%0.50363%0.634SS.*Hα-helixtrans-67.2-32.9175.7176.40000111.4S711 A712 E713 R719S711-V715 PolarHBondContact O-N 3.01Å; A712-V715 PolarHBondContact O-N 3.48Å; E713-V715 VanDerWaalsContact C-N 3.34Å; E713-V715 PolarHBondContact O-N 3Å; V715-R719 PolarHBondContact O-N 3.24Å
716N57.2Low56Low99 Ų99122.9 Ų122.953%0.52964%0.642SS.*Hα-helixtrans-78.3-34.8-179.3-140.821000112.7A712 E713 K714 R719 L720A712-N716 PolarHBondContact O-N 3.17Å; A712-N716 VanDerWaalsContact O-N 3.11Å; E713-N716 PolarHBondContact O-N 3.42Å; E713-N716 VanDerWaalsContact O-N 3.17Å; K714-N716 VanDerWaalsContact C-N 3.3Å; K714-N716 PolarHBondContact O-N 3.46Å; N716-R719 PolarHBondContact O-N 2.89Å; N716-L720 PolarHBondContact O-N 3.26Å; N716-L720 VanDerWaalsContact O-N 3.12Å
717M53.5Low53.6Low141 Ų141127 Ų12770%0.69566%0.656SS**Hα-helixtrans-62.7-39.1171.6-87.8-95.6-69.700112.3E713 R719 L720E713-M717 PolarHBondContact O-N 3.36Å; M717-R719 VanDerWaalsContact C-N 3.25Å; M717-R719 PolarHBondContact O-N 3.43Å; M717-L720 PolarHBondContact O-N 2.81Å
718E54Low51.3Low134 Ų134129.1 Ų129.163%0.62667%0.666SS**Hα-helixtrans-65.9-26.3175.3-79.9178176.900113K714K714-E718 PolarHBondContact O-N 2.87Å
719R54.9Low49Very low189 Ų189130.9 Ų130.971%0.71367%0.674SS**Hα-helixtrans-81.3-31.2174.3-78.7-173.1173.8-178.4-0.7113.8V715 N716 M717 Q721 Q722V715-R719 PolarHBondContact O-N 3.24Å; N716-R719 PolarHBondContact O-N 2.89Å; M717-R719 VanDerWaalsContact C-N 3.25Å; M717-R719 PolarHBondContact O-N 3.43Å; R719-Q721 VanDerWaalsContact C-N 3.3Å; R719-Q721 PolarHBondContact O-N 3.23Å; R719-Q722 PolarHBondContact O-N 3.47Å
720L46.1Very low46.6Very low126 Ų126131.5 Ų131.566%0.6668%0.684SS**Hα-helixtrans-76-14-178.3-79.6161000113.9N716 M717 Q722N716-L720 PolarHBondContact O-N 3.26Å; N716-L720 VanDerWaalsContact O-N 3.12Å; M717-L720 PolarHBondContact O-N 2.81Å; L720-Q722 PolarHBondContact O-N 3.26Å
721Q40.9Very low44.2Very low181 Ų181138.2 Ų138.285%0.84671%0.705SS**THydrogen-bonded Turntrans-71.7-9.4171.3-156.796.252.500113.2R719R719-Q721 VanDerWaalsContact C-N 3.3Å; R719-Q721 PolarHBondContact O-N 3.23Å
722Q42.7Very low42.1Very low174 Ų174141 Ų14181%0.81371%0.714SS**THydrogen-bonded Turntrans-110.77.4-175.1-81.6-177.66.800116.3R719 L720R719-Q722 PolarHBondContact O-N 3.47Å; L720-Q722 PolarHBondContact O-N 3.26Å
723Q33.2Very low39.9Very low179 Ų179143.3 Ų143.384%0.83673%0.726SS**  trans-129.883.2174.6-77.7-173.2-22.700111.7
724H29.6Very low38Very low171 Ų171144.7 Ų144.779%0.79274%0.742SS**  trans-93139.7160.5-144.6-82.1000108.6
725N28.2Very low36.7Very low131 Ų131143.2 Ų143.270%0.70175%0.749SS**  trans84.9100.3170.2-54.6-23.1000116.8
726T31.8Very low35.9Very low139 Ų139144.7 Ų144.785%0.85376%0.76SS**  179.5149.385.241.20000110.8
727D26.1Very low34.2Very low146 Ų146145.1 Ų145.178%0.78177%0.771SS**  trans-54.7148.3-173.5-56.1-67.8000116.8
728I28Very low32.8Very low173 Ų173143.3 Ų143.389%0.88777%0.772SS**  168.4138.6109.4-81.6161.1000111.4
729S25Very low31.4Very low98 Ų98143.4 Ų143.469%0.68578%0.781SS**  trans-64.6139-1721760000117.2
730L24.5Very low30.1Very low149 Ų149141.1 Ų141.178%0.7879%0.788SS**  trans5.8124.2137.9-67.1154.1000117.4
731Q23.7Very low29Very low198 Ų198143.7 Ų143.793%0.92580%0.797SS**  trans-149.2138140.7-124167.6-0.600113.1
732N24.6Very low28.3Very low136 Ų136144 Ų14473%0.72780%0.795SS**  trans-81.5165.1-167.4-75.4-41.4000114.4
733S24.6Very low27.4Very low110 Ų110145.3 Ų145.377%0.76979%0.794SS**  trans75.4134.3139.172.70000119
734V26.6Very low27Very low136 Ų136145.3 Ų145.382%0.82479%0.794SS**  -177.9144.6107.7155.20000109.7
735C32Very low26.9Very low115 Ų115143.5 Ų143.578%0.77780%0.795SS**  trans-61.8-156.7172.8-50.70000113.5
736P46.1Very low27Very low114 Ų114145.8 Ų145.874%0.7480%0.802SS**  cis-134.3-174.1-33.622.52000113.7
737S22.6Very low27Very low108 Ų108148.2 Ų148.276%0.75580%0.803SS**  trans101.8106.8144.6-83.90000122.2
738S23.8Very low27.4Very low102 Ų102145.4 Ų145.471%0.71380%0.795SS**  69.7116.5121.978.50000123.3
739V24.1Very low27.8Very low137 Ų137140.1 Ų140.183%0.8377%0.773SS**  trans74.7112.6145-173.40000119.2
740V27.8Very low28.6Very low141 Ų141140.3 Ų140.386%0.85577%0.772SS**  -165.7133.4127.9166.90000109.4
741E23.9Very low29.4Very low180 Ų180139.1 Ų139.184%0.84177%0.765SS**  trans-69.5136.1171-71.6170131.800113.4
742K24.9Very low30.2Very low187 Ų187134.3 Ų134.381%0.81375%0.746SS**  trans-179.4122.7135.7-107-177.7174.6173.90112.1
743Y23.8Very low30.9Very low202 Ų202134.4 Ų134.479%0.79274%0.74SS**  trans37.288.5155.4-64.5-75.7000119.5T745Y743-T745 PolarHBondContact O-N 2.83Å
744E25Very low31.6Very low179 Ų179134.2 Ų134.284%0.83673%0.729SS**  22.294.1118.3-67.2177.8172.200116.9
745T28.9Very low32.4Very low132 Ų132130.9 Ų130.981%0.8171%0.712SS**  trans-127.572.5148.8-200000106.3Y743 Q747Y743-T745 PolarHBondContact O-N 2.83Å; T745-Q747 PolarHBondContact O-N 3.45Å
746E28.8Very low32.7Very low180 Ų180134.5 Ų134.584%0.84171%0.71SS**  trans-73.1100.7175.4-73.5-159.2160.900109.4S748E746-S748 PolarHBondContact O-N 3.35Å
747Q33.3Very low32.4Very low190 Ų190134.2 Ų134.289%0.88870%0.701SS**  trans-6481159.1-66.8177.51.800108.5T745 S749T745-Q747 PolarHBondContact O-N 3.45Å; Q747-S749 PolarHBondContact O-N 3.5Å
748S32.8Very low33.1Very low86 Ų86134.9 Ų134.960%0.60170%0.695SS**  trans-69.9120.8168.1610000108.8E746E746-S748 PolarHBondContact O-N 3.35Å
749S37.4Very low33.9Very low62 Ų62134.9 Ų134.943%0.43469%0.691SS.*  trans-58.7144.2-178770000111.6Q747 I751 D752Q747-S749 PolarHBondContact O-N 3.5Å; S749-I751 PolarHBondContact O-N 3.33Å; S749-D752 PolarHBondContact O-N 3.16Å; S749-D752 VanDerWaalsContact O-N 3.1Å
750P42.5Very low34.2Very low102 Ų102134.7 Ų134.766%0.66269%0.685SS**Hα-helixtrans-57-16.9-173.9-26.734000115.8F753 I754P750-F753 PolarHBondContact O-N 3.5Å; P750-I754 PolarHBondContact O-N 3.14Å
751I39.5Very low34.3Very low124 Ų124133.6 Ų133.664%0.63668%0.679SS**Hα-helixtrans-71.3-34.4-180-59.4177.1000111S749 I754 S755S749-I751 PolarHBondContact O-N 3.33Å; I751-I754 PolarHBondContact O-N 2.97Å; I751-S755 PolarHBondContact O-N 3.23Å; I751-S755 PolarHBondContact O-OG 2.64Å
752D40.7Very low34.4Very low98 Ų98134.6 Ų134.652%0.52468%0.675SS.*Hα-helixtrans-75.2-26.7178.3-72.8-33.4000112.7S749 R756S749-D752 PolarHBondContact O-N 3.16Å; S749-D752 VanDerWaalsContact O-N 3.1Å; D752-R756 PolarHBondContact O-N 2.86Å
753F40.5Very low34.5Very low137 Ų137133.3 Ų133.360%0.60168%0.676SS**Hα-helixtrans-71.5-36.8174.6-164.2-99.3000111.8P750 R756 L757P750-F753 PolarHBondContact O-N 3.5Å; F753-R756 PolarHBondContact O-N 3.32Å; F753-L757 HydrophobicContact CD1-CD1 4.03Å; F753-L757 HydrophobicContact CE1-CD1 3.46Å; F753-L757 VanDerWaalsContact CE1-CD1 3.46Å; F753-L757 HydrophobicContact CZ-CD1 3.77Å; F753-L757 PolarHBondContact O-N 2.99Å
754I39.6Very low34.6Very low106 Ų106130.1 Ų130.154%0.54467%0.668SS.*Hα-helixtrans-67.6-41.3174.5-64.3172.2000110.5P750 I751 R756 L757 I758P750-I754 PolarHBondContact O-N 3.14Å; I751-I754 PolarHBondContact O-N 2.97Å; I754-R756 VanDerWaalsContact C-N 3.33Å; I754-R756 PolarHBondContact O-N 2.89Å; I754-L757 PolarHBondContact O-N 3.4Å; I754-I758 HydrophobicContact CG2-CD1 3.95Å; I754-I758 WeakPolarHBondContact O-CG1 3.34Å; I754-I758 PolarHBondContact O-N 3.5Å
755S41.9Very low34.6Very low66 Ų66126.7 Ų126.746%0.46266%0.663SS.*Hα-helixtrans-63.2-37.7174.8-68.80000112.2I751 T759I751-S755 PolarHBondContact O-N 3.23Å; I751-S755 PolarHBondContact O-OG 2.64Å; S755-T759 PolarHBondContact O-N 3.01Å; S755-T759 PolarHBondContact O-OG1 3.18Å
756R39.4Very low34.4Very low192 Ų192129.7 Ų129.773%0.72567%0.668SS**Hα-helixtrans-71.3-31.9174.5-90.4-179.8171.6155.1-1.5113.7D752 F753 I754 N760D752-R756 PolarHBondContact O-N 2.86Å; F753-R756 PolarHBondContact O-N 3.32Å; I754-R756 VanDerWaalsContact C-N 3.33Å; I754-R756 PolarHBondContact O-N 2.89Å; R756-N760 PolarHBondContact O-N 3.19Å
757L40.1Very low34.3Very low108 Ų108124.9 Ų124.957%0.56566%0.659SS**Hα-helixtrans-72.3-38.7177-122.191.4000112.6F753 I754F753-L757 HydrophobicContact CD1-CD1 4.03Å; F753-L757 HydrophobicContact CE1-CD1 3.46Å; F753-L757 VanDerWaalsContact CE1-CD1 3.46Å; F753-L757 HydrophobicContact CZ-CD1 3.77Å; F753-L757 PolarHBondContact O-N 2.99Å; I754-L757 PolarHBondContact O-N 3.4Å
758I36.8Very low34.1Very low121 Ų121123 Ų12362%0.62166%0.655SS**Hα-helixtrans-71-33.2179-64.8173.1000111.2I754 N760 T761I754-I758 HydrophobicContact CG2-CD1 3.95Å; I754-I758 WeakPolarHBondContact O-CG1 3.34Å; I754-I758 PolarHBondContact O-N 3.5Å; I758-N760 PolarHBondContact O-N 2.81Å; I758-T761 PolarHBondContact O-OG1 3.39Å
759T40.4Very low33.8Very low102 Ų102126.1 Ų126.163%0.62667%0.665SS**Hα-helixtrans-73.2-27.1-179-430000112.8S755S755-T759 PolarHBondContact O-N 3.01Å; S755-T759 PolarHBondContact O-OG1 3.18Å
760N29.6Very low33.5Very low134 Ų134130.6 Ų130.672%0.71768%0.684SS**THydrogen-bonded Turntrans-904-175-75-19000115.6R756 I758R756-N760 PolarHBondContact O-N 3.19Å; I758-N760 PolarHBondContact O-N 2.81Å
761T30.8Very low32.8Very low118 Ų118131 Ų13172%0.72469%0.69SS**THydrogen-bonded Turntrans-102.314.7171.746.80000113.8I758 I763I758-T761 PolarHBondContact O-OG1 3.39Å; T761-I763 PolarHBondContact O-N 3.34Å
762W25.2Very low32.4Very low200 Ų200132.8 Ų132.876%0.75870%0.701SS**  trans-92.572.6169.3-134.754.6000110.4H764W762-H764 AromaticContact CE3-CE1 3.21Å; W762-H764 AromaticContact CE3-ND1 3.55Å; W762-H764 AromaticContact CE3-NE2 3.9Å; W762-H764 AromaticContact CH2-CE1 3.71Å; W762-H764 AromaticContact CZ3-CE1 2.92Å; W762-H764 WeakPolarHBondContact CZ3-CE1 3.48Å; W762-H764 AromaticContact CZ3-ND1 3.55Å; W762-H764 AromaticContact CZ3-NE2 3.81Å; W762-H764 PolarHBondContact O-N 2.83Å; W762-H764 VanDerWaalsContact O-N 3.11Å
763I28.5Very low31.8Very low160 Ų160136.6 Ų136.682%0.82172%0.715SS**  trans-71.8102.6165.7-64.9175.9000106.7T761 S765T761-I763 PolarHBondContact O-N 3.34Å; I763-S765 PolarHBondContact O-N 2.86Å
764H25.5Very low31.3Very low135 Ų135136.1 Ų136.163%0.62573%0.726SS**  trans-56.699.9170-79.3-47000111.3W762 Q766W762-H764 AromaticContact CE3-CE1 3.21Å; W762-H764 AromaticContact CE3-ND1 3.55Å; W762-H764 AromaticContact CE3-NE2 3.9Å; W762-H764 AromaticContact CH2-CE1 3.71Å; W762-H764 AromaticContact CZ3-CE1 2.92Å; W762-H764 WeakPolarHBondContact CZ3-CE1 3.48Å; W762-H764 AromaticContact CZ3-ND1 3.55Å; W762-H764 AromaticContact CZ3-NE2 3.81Å; W762-H764 PolarHBondContact O-N 2.83Å; W762-H764 VanDerWaalsContact O-N 3.11Å; H764-Q766 PolarHBondContact O-N 3.33Å
765S24.9Very low30.6Very low107 Ų107138.4 Ų138.475%0.74874%0.738SS**  trans-7498.4151.1680000107.6I763 A767I763-S765 PolarHBondContact O-N 2.86Å; S765-A767 PolarHBondContact O-N 3.43Å
766Q24.1Very low29.7Very low196 Ų196144.1 Ų144.192%0.91676%0.757SS**  trans-64.688.6159.6-80.5179.3-6.200107.9H764H764-Q766 PolarHBondContact O-N 3.33Å
767A27.8Very low28.9Very low79 Ų79142.9 Ų142.965%0.65376%0.762SS**  trans-115.6101.1165.200000107.3S765S765-A767 PolarHBondContact O-N 3.43Å
768N27.6Very low28.3Very low149 Ų149144.4 Ų144.480%0.79777%0.77SS**  trans28.4105.5148.2-150.712.8000116.7N770N768-N770 PolarHBondContact O-N 3.41Å
769N27.9Very low27.7Very low153 Ų153146.4 Ų146.482%0.81878%0.781SS**SBendtrans-53.8102.4168.6-67.8-33.6000110.7
770N30.1Very low27Very low155 Ų155148.6 Ų148.683%0.82979%0.789SS**  trans-154.377.8152.4-88.6-25.7000106.8N768N768-N770 PolarHBondContact O-N 3.41Å
771S28.5Very low26.9Very low111 Ų111145.5 Ų145.578%0.77679%0.788SS**  trans-101.698.6174.858.40000109.3
772D31.1Very low26.6Very low162 Ų162146.8 Ų146.887%0.86679%0.786SS**  trans-126.6106.5149.9-92.2-29.5000107.8
773Q28.5Very low26.6Very low178 Ų178144.4 Ų144.483%0.83279%0.788SS**  trans28127165.3-64.5-174.9-5.500121.1I775Q773-I775 PolarHBondContact O-N 2.65Å
774P28.5Very low26.6Very low127 Ų127142.5 Ų142.583%0.82578%0.779SS**  trans-79.7122.3179.934.1-30.3000109.9E776P774-E776 PolarHBondContact O-N 3.08Å
775I24.9Very low26.5Very low154 Ų154141.8 Ų141.879%0.7978%0.78SS**  trans-81.9109.1163.8-65174.7000106.4Q773 M777Q773-I775 PolarHBondContact O-N 2.65Å; I775-M777 HydrophobicContact CG2-CG 4.35Å; I775-M777 PolarHBondContact O-N 3.2Å
776E23.8Very low26.7Very low186 Ų186145.1 Ų145.187%0.86979%0.788SS**  trans-47114.8162-71.1174.7144.500109.3P774P774-E776 PolarHBondContact O-N 3.08Å
777M23.7Very low26.6Very low166 Ų166143.4 Ų143.482%0.81878%0.779SS**  trans-117.9108.4158.1-72.7-162.3-6200108I775 L779I775-M777 HydrophobicContact CG2-CG 4.35Å; I775-M777 PolarHBondContact O-N 3.2Å; M777-L779 PolarHBondContact O-N 3.49Å
778N25.5Very low26.4Very low140 Ų140143.5 Ų143.575%0.74978%0.775SS**  trans-51.6121177.3-167.816.8000110.7
779L24.5Very low26.2Very low162 Ų162145 Ų14585%0.84878%0.783SS**  trans-79.1107.3164.6-83.1119.9000107.8M777M777-L779 PolarHBondContact O-N 3.49Å
780D26.1Very low26.1Very low149 Ų149142.4 Ų142.480%0.79777%0.774SS**  trans-154.392.9157-89.4-34000108.7
781G27.6Very low25.7Very low68 Ų68141.6 Ų141.670%0.70177%0.77SS**  trans-16764.9178.500000109.6L783G781-L783 PolarHBondContact O-N 2.92Å
782E25.3Very low25.4Very low145 Ų145140.9 Ų140.968%0.67876%0.761SS**  trans-49.597.4173.8-71.9-177.9147.100110.9K308 N784K308-E782 IonicContact NZ-OE1 3.21Å; K308-E782 PolarHBondContact NZ-OE1 3.11Å; K308-E782 IonicContact NZ-OE2 3.77Å; E782-N784 PolarHBondContact O-N 3.35Å
783L25.4Very low25.2Very low151 Ų151140.3 Ų140.379%0.79176%0.758SS**  trans-84.993.9163.7-82.1171.2000108.9G781G781-L783 PolarHBondContact O-N 2.92Å
784N26.8Very low24.9Very low119 Ų119137.3 Ų137.364%0.63675%0.748SS**  trans-76.6132.8171-81.1-45000111.5E782E782-N784 PolarHBondContact O-N 3.35Å
785N25Very low24.8Very low120 Ų120136.9 Ų136.964%0.64274%0.738SS**  trans71.488.5145.1-66-16.1000119.2
786I27.7Very low24.9Very low178 Ų178135.6 Ų135.691%0.91373%0.733SS**  -125.582.6125.5-55.5-179.1000107.8S788I786-S788 PolarHBondContact O-N 3.41Å
787Q23.3Very low25Very low159 Ų159132.6 Ų132.674%0.74372%0.723SS**  trans-70.3113163.5-100.7-178.6-21.400109
788S22.9Very low25.1Very low81 Ų81131 Ų13157%0.56672%0.718SS**  36.9111.312360.40000117.7I786I786-S788 PolarHBondContact O-N 3.41Å
789L24.1Very low25.3Very low181 Ų181132.1 Ų132.195%0.94872%0.724SS**  trans-98.4116.1141.1-127.883.2000108.3
790P24.4Very low25.3Very low99 Ų99132 Ų13264%0.64372%0.724SS**  trans-97149.8-175.638.7-33.4000111.8
791N21.7Very low25.4Very low137 Ų137132 Ų13273%0.73372%0.724SS**  trans77.7114.6132.1-95.216.5000121.5
792T23.7Very low25.2Very low96 Ų96135.8 Ų135.859%0.58973%0.725SS**  62.3123116.765.80000118.1
793N25.5Very low25.2Very low151 Ų151135.1 Ų135.181%0.80773%0.725SS**  159.9150.9118-84.3-19.8000107.8
794N23.6Very low25.2Very low115 Ų115133.6 Ų133.662%0.61572%0.722SS**  cis179.1133.1-17.3-17238.6000102.1
795D24.6Very low25.1Very low117 Ų117134.4 Ų134.463%0.62673%0.725SS**  trans57.5147.3144-70.6-20.6000123.8
796N28Very low25.2Very low127 Ų127140.4 Ų140.468%0.67974%0.741SS**  trans90.7101.9145.4-69.2-34.9000116.8
797N24.8Very low25.2Very low124 Ų124140 Ų14066%0.66374%0.735SS**  98.5120.967.4-105.5-35.3000110.7
798N26.7Very low25.3Very low133 Ų133137.4 Ų137.471%0.71173%0.734SS**  trans48.5110.1145.8-65.9-25.3000118.3
799N30.4Very low25.7Very low163 Ų163140.3 Ų140.387%0.87274%0.744SS**  trans-157.196.1133-88.6-34.4000110.5
800N24.1Very low26.1Very low159 Ų159140 Ų14085%0.8574%0.738SS**  trans-73.2118.6151.5-80.5-28.8000107.6
801N28.8Very low26.4Very low149 Ų149141.7 Ų141.780%0.79774%0.74SS**  trans-169.9123.6151.4-95.9-23.1000112.5
802M23.3Very low26.8Very low148 Ų148141.8 Ų141.873%0.72974%0.736SS**  trans63.9104.7146.1-68.2-72.9-72.600118.7
803I24.4Very low27.3Very low130 Ų130144.1 Ų144.167%0.66774%0.741SS**  72.6117.877.4-66-178.5000114.5
804T24.6Very low27.5Very low119 Ų119144.1 Ų144.173%0.7374%0.737SS**  trans78.1114.4153560000121.4
805L24.8Very low27.9Very low136 Ų136145.7 Ų145.771%0.71275%0.745SS**  153.8103.9109.6-96.3150.7000111.2
806Y27.2Very low28.4Very low247 Ų247145 Ų14597%0.96975%0.745SS**  trans-154.787.6140.1-89.1-68.2000107.1
807Q27.3Very low28.4Very low169 Ų169149 Ų14979%0.7975%0.751SS**  trans-90.3135.2178.5-170.2172.24.900109.8
808S27.1Very low28.6Very low104 Ų104152.6 Ų152.673%0.72776%0.764SS**  trans-42.9122.7176-44.90000114.8
809N31Very low28.5Very low143 Ų143153.6 Ų153.677%0.76577%0.769SS**  trans-127.86171.8-100.2-7.9000115.1
810E33.1Very low28.2Very low175 Ų175153.2 Ų153.282%0.81877%0.766SS**SBendtrans-97.4-8.2-177.9-75.5-176.3160.200115.2
811L30.4Very low28.4Very low134 Ų134153 Ų15370%0.70276%0.762SS**SBendtrans-93.5-10179-87.6167.3000115
812Q30.2Very low28.3Very low139 Ų139152.3 Ų152.365%0.6576%0.758SS**SBendtrans-87.2-23.2178.1-165.364.942.800112.8T816Q812-T816 PolarHBondContact O-OG1 2.93Å
813E34.4Very low28.5Very low145 Ų145155.4 Ų155.468%0.67877%0.768SS**SBendtrans-83.6-22.1-176.7-153.3172.3-171.700112.9
814M29Very low28.5Very low150 Ų150155.9 Ų155.974%0.73977%0.772SS**THydrogen-bonded Turntrans-80.3-22.4176.2-142.8-170.9-43.900112.9
815L32.5Very low28.6Very low148 Ų148157.4 Ų157.478%0.77578%0.776SS**THydrogen-bonded Turntrans-92.10.9-175.4-122.886000115
816T33.4Very low29.1Very low102 Ų102156.5 Ų156.563%0.62678%0.778SS**SBendtrans-118.118.8-17634.10000115.7Q812Q812-T816 PolarHBondContact O-OG1 2.93Å
817R27.8Very low29Very low212 Ų212149.2 Ų149.280%0.876%0.763SS**SBendtrans-121.811.2-179.1-79-158.9174.5-178.13.3119.6
818Q30.1Very low28.9Very low200 Ų200148.8 Ų148.894%0.93577%0.765SS**  trans-141.169165.9-73.4-168.9-9.300112.7
819N24.2Very low28.6Very low154 Ų154152.9 Ų152.982%0.82477%0.773SS**  trans-111.3108.5152.5-108.2-26.8000106
820L25.4Very low28.3Very low154 Ų154153.3 Ų153.381%0.80677%0.774SS**  trans-161.1119.8159.8-126.384.5000111.2
821M27.7Very low27.9Very low154 Ų154152 Ų15276%0.75977%0.773SS**  trans67.199.1153.6-51.3-65.3171.900116.8
822N25.7Very low27.8Very low136 Ų136154.5 Ų154.573%0.72778%0.781SS**  63.4100.658.9-145.227.6000114
823F27.5Very low27.6Very low212 Ų212154.7 Ų154.793%0.9379%0.786SS**  trans-153.3109.4148.3-89.6-72.1000110
824N26.1Very low27.2Very low141 Ų141153.9 Ų153.975%0.75479%0.792SS**  trans-66.8143.6159-74.9-34.1000109.7
825D26.7Very low27.2Very low151 Ų151152.1 Ų152.181%0.80779%0.789SS**  trans-158.2118.1130-136.5-14.2000111.7
826P34.7Very low27.2Very low117 Ų117152.1 Ų152.176%0.7679%0.79SS**  trans-101.792.7175.135.5-24.1000110.1
827S23.9Very low27Very low94 Ų94156.3 Ų156.366%0.65780%0.802SS**  trans-162.5113.8157.561.60000108.4
828L25.7Very low27.1Very low159 Ų159153.5 Ų153.583%0.83280%0.802SS**  trans17876.9143.5-91.5165.8000107L830L828-L830 PolarHBondContact O-N 2.65Å
829Q21.6Very low27.4Very low191 Ų191147.3 Ų147.389%0.89378%0.781SS**  trans-62.1110.7155.9-79.7175.8-16.200107.7
830L24.8Very low28.1Very low151 Ų151146.8 Ų146.879%0.79178%0.777SS**  trans-134.590.4157.8-84.7170.5000108L828 H832L828-L830 PolarHBondContact O-N 2.65Å; L830-H832 PolarHBondContact O-N 2.89Å
831N23.6Very low28.9Very low149 Ų149144.7 Ų144.780%0.79777%0.767SS**  trans-56.6118.8154.1-75.2-19000107.7
832H29.4Very low29.5Very low186 Ų186141.4 Ų141.486%0.86175%0.752SS**  trans-152.7114.5141.1-107.3-62.2000109.3L830L830-H832 PolarHBondContact O-N 2.89Å
833D24.7Very low30.3Very low142 Ų142138.8 Ų138.876%0.75974%0.741SS**  trans-58.8154.4174.5-65.1-59000112.8
834T27.4Very low30.9Very low129 Ų129135.6 Ų135.679%0.79173%0.727SS**  trans83120.8147.6-9.30000120.4
835V27.8Very low31.6Very low113 Ų113133.6 Ų133.669%0.68572%0.717SS**  trans90.895148.8-1630000118.6
836N32.3Very low32.2Very low147 Ų147135 Ų13579%0.78672%0.716SS**  trans4886132.4-57.8-23.1000118.3
837Q30.1Very low32.3Very low190 Ų190136.1 Ų136.189%0.88871%0.713SS**  trans-13490.2142.2-73.9-169.516.900109.1S839Q837-S839 PolarHBondContact O-N 3.41Å
838L29.9Very low32.9Very low154 Ų154139.2 Ų139.281%0.80671%0.714SS**  trans-56.9106.4161.6-84.6155.2000107.4
839S35.7Very low33.4Very low69 Ų69140 Ų14048%0.48372%0.716SS.*  trans-66.9140.8-176.1171.30000109.6Q837 N841 D842Q837-S839 PolarHBondContact O-N 3.41Å; S839-N841 PolarHBondContact O-N 2.55Å; S839-D842 PolarHBondContact O-N 2.89Å
840L39.1Very low34Very low144 Ų144140.4 Ų140.475%0.75472%0.715SS**Hα-helixtrans-49.8-18.4175.8-105.3160.8000114V843 F844L840-V843 PolarHBondContact O-N 3.07Å; L840-F844 PolarHBondContact O-N 3.39Å; L840-F844 VanDerWaalsContact O-N 3.08Å
841N42.7Very low34Very low109 Ų109141.4 Ų141.458%0.58372%0.715SS**Hα-helixtrans-66.9-32.1173.6-117.133.6000113.5S839 V843 F844 N845S839-N841 PolarHBondContact O-N 2.55Å; N841-V843 VanDerWaalsContact C-N 3.33Å; N841-F844 PolarHBondContact O-N 3.33Å; N841-N845 PolarHBondContact O-N 2.8Å; N841-N845 PolarHBondContact O-ND2 3.4Å
842D40.2Very low34.2Very low85 Ų85142.1 Ų142.146%0.45572%0.718SS.*Hα-helixtrans-72.1-33.5177.5-63.7-32.3000110.8S839 N845 F846S839-D842 PolarHBondContact O-N 2.89Å; D842-N845 PolarHBondContact O-N 2.88Å; D842-F846 PolarHBondContact O-N 3.29Å
843V41.5Very low34.1Very low82 Ų82138.7 Ų138.750%0.49771%0.712SS.*Hα-helixtrans-67.8-38.1171.5-1780000111.1L840 N841 F846 M847L840-V843 PolarHBondContact O-N 3.07Å; N841-V843 VanDerWaalsContact C-N 3.33Å; V843-F846 PolarHBondContact O-N 3.1Å; V843-M847 PolarHBondContact O-N 3.49Å; V843-M847 VanDerWaalsContact O-N 3.08Å
844F40.5Very low34.3Very low144 Ų144139.6 Ų139.663%0.63272%0.717SS**Hα-helixtrans-69.4-35.3177.6-144.1-88.2000112.3L840 N841 K848L840-F844 PolarHBondContact O-N 3.39Å; L840-F844 VanDerWaalsContact O-N 3.08Å; N841-F844 PolarHBondContact O-N 3.33Å; F844-K848 PolarHBondContact O-N 2.87Å
845N41.8Very low34.2Very low100 Ų100137.6 Ų137.654%0.53571%0.714SS.*Hα-helixtrans-69.6-37.6174.1-73.8-29.2000112N841 D842 M847 K848N841-N845 PolarHBondContact O-N 2.8Å; N841-N845 PolarHBondContact O-ND2 3.4Å; D842-N845 PolarHBondContact O-N 2.88Å; N845-M847 VanDerWaalsContact C-N 3.35Å; N845-M847 PolarHBondContact O-N 3.3Å; N845-K848 PolarHBondContact O-N 3.44Å
846F39.4Very low34.1Very low179 Ų179137.7 Ų137.779%0.78572%0.715SS**Hα-helixtrans-68.4-33.6176.7-138.8-88.9000112.7D842 V843 K848D842-F846 PolarHBondContact O-N 3.29Å; V843-F846 PolarHBondContact O-N 3.1Å; F846-K848 VanDerWaalsContact C-N 3.28Å; F846-K848 PolarHBondContact O-N 3.02Å
847M35.4Very low33.8Very low142 Ų142136.1 Ų136.170%0.772%0.715SS**Hα-helixtrans-72.2-22.2177.8-153.1173.2-69.700112.8V843 N845V843-M847 PolarHBondContact O-N 3.49Å; V843-M847 VanDerWaalsContact O-N 3.08Å; N845-M847 VanDerWaalsContact C-N 3.35Å; N845-M847 PolarHBondContact O-N 3.3Å
848K37.2Very low33.5Very low158 Ų158135.6 Ų135.669%0.68771%0.713SS**Hα-helixtrans-79.4-19.2-178.7-144.4175.2-174.6-179.40114F844 N845 F846 K850F844-K848 PolarHBondContact O-N 2.87Å; N845-K848 PolarHBondContact O-N 3.44Å; F846-K848 VanDerWaalsContact C-N 3.28Å; F846-K848 PolarHBondContact O-N 3.02Å; K848-K850 VanDerWaalsContact C-N 3.3Å; K848-K850 PolarHBondContact O-N 3.43Å
849M36Very low33.3Very low175 Ų175136.3 Ų136.386%0.86271%0.712SS**THydrogen-bonded Turntrans-78.3-4179.3-97.7175.27500115
850K34.2Very low32.8Very low201 Ų201139.9 Ų139.987%0.87473%0.725SS**THydrogen-bonded Turntrans-105.410.3176.8-102.8-172.8178.2-176.50116K848K848-K850 VanDerWaalsContact C-N 3.3Å; K848-K850 PolarHBondContact O-N 3.43Å
851Q25.2Very low32.2Very low171 Ų171140.4 Ų140.480%0.79973%0.727SS**  trans-111.188.9168.8-82.8177.6600110.5
852L27.5Very low31.4Very low165 Ų165142.7 Ų142.786%0.86473%0.734SS**  trans-67.3122.9162.2-138.379.7000107.3N854L852-N854 PolarHBondContact O-N 3.18Å
853P27.9Very low30.7Very low113 Ų113147.4 Ų147.473%0.73475%0.754SS**  trans-72.7125.3-170.926.5-31.1000111.4A855P853-A855 VanDerWaalsContact C-N 3.34Å; P853-A855 PolarHBondContact O-N 3.14Å
854N27.9Very low30Very low162 Ų162148.6 Ų148.687%0.86677%0.766SS**  trans-56.393.4160.3-84.9-15.2000109.5L852L852-N854 PolarHBondContact O-N 3.18Å
855A25.8Very low29.4Very low87 Ų87146.6 Ų146.672%0.71978%0.776SS**  trans-98.881.5164.200000108.4P853 S857P853-A855 VanDerWaalsContact C-N 3.34Å; P853-A855 PolarHBondContact O-N 3.14Å; A855-S857 PolarHBondContact O-N 3.37Å
856T25.5Very low29.1Very low115 Ų115147.6 Ų147.671%0.70679%0.786SS**  trans-57.4110.6157-52.60000107.7Q858T856-Q858 HydrophobicContact CG2-CG 4.47Å
857S26Very low28.6Very low114 Ų114146.1 Ų146.180%0.79779%0.786SS**  trans-136.489.7162.4-72.30000107.2A855 H859A855-S857 PolarHBondContact O-N 3.37Å; S857-H859 PolarHBondContact O-N 3.49Å
858Q24.6Very low28.6Very low178 Ų178145.2 Ų145.283%0.83279%0.794SS**  trans-52.2116.6164.6-68.3167.8-27.100108.5T856T856-Q858 HydrophobicContact CG2-CG 4.47Å
859H24.7Very low28.8Very low169 Ų169143.4 Ų143.478%0.78280%0.796SS**  trans-135.299.5149-139-72.6000108.9S857 I861S857-H859 PolarHBondContact O-N 3.49Å; H859-I861 PolarHBondContact O-N 3.47Å
860N25.1Very low29.1Very low144 Ų144140.4 Ų140.477%0.7779%0.788SS**  trans-45.1116.6157.3-123.85.5000108.6
861I28.2Very low29.8Very low155 Ų155134.2 Ų134.280%0.79576%0.764SS**  trans-133.1111.8149.3-60.7-176.4000106.7H859H859-I861 PolarHBondContact O-N 3.47Å
862Q24.7Very low31.4Very low157 Ų157130.7 Ų130.773%0.73476%0.756SS**  trans-68.6143.7-179-169.6148.9-12.200111S864Q862-S864 PolarHBondContact O-N 3.43Å
863E25.1Very low33.1Very low185 Ų185129.8 Ų129.886%0.86475%0.747SS**  trans-25.1123.2161.1-80.3167.7139.500114.9
864S27.3Very low35Very low107 Ų107127.5 Ų127.575%0.74873%0.734SS**  trans-143.6111.1139.9640000109.4Q862 T866Q862-S864 PolarHBondContact O-N 3.43Å; S864-T866 PolarHBondContact O-N 3.02Å
865A28.4Very low36.7Very low102 Ų102124 Ų12484%0.84372%0.715SS**  trans-64.9118.1169.900000110.4
866T34.2Very low39Very low121 Ų121122.6 Ų122.674%0.74270%0.703SS**  trans-156.7116.9153.250.30000109.9S864S864-T866 PolarHBondContact O-N 3.02Å
867D30.1Very low41.6Very low147 Ų147124.4 Ų124.479%0.78670%0.698SS**  trans57.5117.3150.5-59.7-19.8000121T869D867-T869 VanDerWaalsContact C-N 3.34Å; D867-T869 PolarHBondContact O-N 3.5Å
868S35.8Very low44.5Very low124 Ų124124.1 Ų124.187%0.86769%0.686SS**  trans-52.683.1168.554.90000112.9
869T40.3Very low47.2Very low120 Ų120119.9 Ų119.974%0.73667%0.668SS**  trans-135.6114151.458.20000105.8D867 D871D867-T869 VanDerWaalsContact C-N 3.34Å; D867-T869 PolarHBondContact O-N 3.5Å; T869-D871 PolarHBondContact O-N 2.94Å
870T43.8Very low50.1Low111 Ų111117.9 Ų117.968%0.68166%0.657SS**  trans-57.8100.9178.6-55.50000108.2
871D48.2Very low53Low72 Ų72114.6 Ų114.639%0.38564%0.64SS.*  trans-52.7125.2-179.5162.933.8000109.4T869 Q873 S874 L875T869-D871 PolarHBondContact O-N 2.94Å; D871-Q873 PolarHBondContact O-N 3.44Å; D871-Q873 PolarHBondContact OD1-N 2.64Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.38Å; D871-S874 WeakPolarHBondContact O-CA 3.35Å; D871-S874 WeakPolarHBondContact O-CB 3.41Å; D871-S874 PolarHBondContact O-N 3.21Å; D871-S874 PolarHBondContact OD2-N 2.8Å; D871-L875 PolarHBondContact O-N 3.46Å; D871-L875 VanDerWaalsContact O-N 3.14Å
872P58.1Low55.2Low97 Ų97113.1 Ų113.163%0.6363%0.629SS**Hα-helixtrans-49.5-30.6176.1-27.433.4000113.5L875 A876P872-L875 PolarHBondContact O-N 3.05Å; P872-A876 VanDerWaalsContact O-CB 3.3Å; P872-A876 WeakPolarHBondContact O-CB 3.5Å; P872-A876 PolarHBondContact O-N 3.31Å
873Q62.9Low57.9Low145 Ų145110.3 Ų110.368%0.67862%0.619SS**Hα-helixtrans-65.8-42174.9-122.4104-9.800112.1D871 A876 Y877D871-Q873 PolarHBondContact O-N 3.44Å; D871-Q873 PolarHBondContact OD1-N 2.64Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.38Å; Q873-A876 PolarHBondContact O-N 3.47Å; Q873-Y877 WeakPolarHBondContact O-CB 3.24Å; Q873-Y877 PolarHBondContact O-N 3.49Å
874S68.7Low60.9Low65 Ų65104.9 Ų104.946%0.45560%0.596SS.*Hα-helixtrans-65.4-39.4175.3-740000112.2D871 Y877 M878D871-S874 WeakPolarHBondContact O-CA 3.35Å; D871-S874 WeakPolarHBondContact O-CB 3.41Å; D871-S874 PolarHBondContact O-N 3.21Å; D871-S874 PolarHBondContact OD2-N 2.8Å; S874-Y877 PolarHBondContact O-N 3.45Å; S874-M878 PolarHBondContact O-N 3.04Å
875L64.4Low63.6Low90 Ų90102.5 Ų102.547%0.47158%0.583SS.*Hα-helixtrans-65.8-42.3173.7-174.668.3000111.4D871 P872 Y877 M878 L879D871-L875 PolarHBondContact O-N 3.46Å; D871-L875 VanDerWaalsContact O-N 3.14Å; P872-L875 PolarHBondContact O-N 3.05Å; L875-Y877 VanDerWaalsContact C-N 3.31Å; L875-Y877 PolarHBondContact O-N 2.81Å; L875-M878 PolarHBondContact O-N 3.07Å; L875-L879 HydrophobicContact CG-CD1 4.14Å; L875-L879 WeakPolarHBondContact O-CB 3.32Å; L875-L879 WeakPolarHBondContact O-CG 3.42Å; L875-L879 PolarHBondContact O-N 3.03Å
876A73.2Confident66.2Low57 Ų57101.8 Ų101.847%0.47156%0.564SS.*Hα-helixtrans-62.6-38.117600000112P872 Q873 K880P872-A876 VanDerWaalsContact O-CB 3.3Å; P872-A876 WeakPolarHBondContact O-CB 3.5Å; P872-A876 PolarHBondContact O-N 3.31Å; Q873-A876 PolarHBondContact O-N 3.47Å; A876-K880 VanDerWaalsContact O-CB 3.23Å; A876-K880 WeakPolarHBondContact O-CB 3.34Å; A876-K880 PolarHBondContact O-N 3.35Å
877Y81Confident68.6Low153 Ų15399.9 Ų99.960%0.655%0.549SS*.Hα-helixtrans-66.1-40.7174.6-166.6-98.7000111.9Q873 S874 L875 K880 N881Q873-Y877 WeakPolarHBondContact O-CB 3.24Å; Q873-Y877 PolarHBondContact O-N 3.49Å; S874-Y877 PolarHBondContact O-N 3.45Å; L875-Y877 VanDerWaalsContact C-N 3.31Å; L875-Y877 PolarHBondContact O-N 2.81Å; Y877-K880 PolarHBondContact O-N 2.93Å; Y877-N881 WeakPolarHBondContact CD1-ND2 3.33Å; Y877-N881 WeakPolarHBondContact CE1-ND2 3.38Å; Y877-N881 PolarHBondContact O-N 3.4Å; Y877-N881 PolarHBondContact O-ND2 3.33Å
878M85.2Confident71.2Confident107 Ų10797.4 Ų97.453%0.52754%0.536SS..Hα-helixtrans-64.7-45.1175.1-119.4-176.2-63.800112.4S874 L875 K880 N881 Q882S874-M878 PolarHBondContact O-N 3.04Å; L875-M878 PolarHBondContact O-N 3.07Å; M878-K880 VanDerWaalsContact C-N 3.31Å; M878-K880 PolarHBondContact O-N 3.38Å; M878-N881 PolarHBondContact O-N 3.29Å; M878-Q882 PolarHBondContact O-N 3Å
879L81.2Confident73.8Confident90 Ų9097.3 Ų97.347%0.47152%0.522SS..Hα-helixtrans-63.4-39.2175.9-77.1168.2000111.3L875 Q882 L883L875-L879 HydrophobicContact CG-CD1 4.14Å; L875-L879 WeakPolarHBondContact O-CB 3.32Å; L875-L879 WeakPolarHBondContact O-CG 3.42Å; L875-L879 PolarHBondContact O-N 3.03Å; L879-Q882 PolarHBondContact O-N 3.1Å; L879-L883 WeakPolarHBondContact O-CB 3.37Å; L879-L883 PolarHBondContact O-N 3.39Å
880K87.1Confident75.8Confident127 Ų12795.1 Ų95.155%0.55251%0.505SS*.Hα-helixtrans-63.7-45.2174.9-175.1171.8178179.20111.7A876 Y877 M878 Q882 L883 D884A876-K880 VanDerWaalsContact O-CB 3.23Å; A876-K880 WeakPolarHBondContact O-CB 3.34Å; A876-K880 PolarHBondContact O-N 3.35Å; Y877-K880 PolarHBondContact O-N 2.93Å; M878-K880 VanDerWaalsContact C-N 3.31Å; M878-K880 PolarHBondContact O-N 3.38Å; K880-Q882 VanDerWaalsContact C-N 3.34Å; K880-Q882 PolarHBondContact O-N 3.39Å; K880-L883 PolarHBondContact O-N 3.23Å; K880-D884 WeakPolarHBondContact O-CB 3.32Å; K880-D884 PolarHBondContact O-N 3.11Å
881N85Confident78Confident75 Ų7596.6 Ų96.640%0.40150%0.502SS..Hα-helixtrans-63.7-38.5176.5-73.6-19.5000112.6Y877 M878 D884 A885Y877-N881 WeakPolarHBondContact CD1-ND2 3.33Å; Y877-N881 WeakPolarHBondContact CE1-ND2 3.38Å; Y877-N881 PolarHBondContact O-N 3.4Å; Y877-N881 PolarHBondContact O-ND2 3.33Å; M878-N881 PolarHBondContact O-N 3.29Å; N881-D884 PolarHBondContact O-N 2.92Å; N881-A885 WeakPolarHBondContact O-CB 3.34Å; N881-A885 PolarHBondContact O-N 3.06Å
882Q75.3Confident79.8Confident123 Ų12399.2 Ų99.258%0.57552%0.515SS*.Hα-helixtrans-66.2-43.1174.1-79.5-174.2-20.800111.7M878 L879 K880 D884 A885 I886M878-Q882 PolarHBondContact O-N 3Å; L879-Q882 PolarHBondContact O-N 3.1Å; K880-Q882 VanDerWaalsContact C-N 3.34Å; K880-Q882 PolarHBondContact O-N 3.39Å; Q882-D884 VanDerWaalsContact C-N 3.34Å; Q882-D884 PolarHBondContact O-N 3.48Å; Q882-A885 PolarHBondContact O-N 3.25Å; Q882-I886 WeakPolarHBondContact O-CB 3.5Å; Q882-I886 VanDerWaalsContact O-CG1 3.24Å; Q882-I886 WeakPolarHBondContact O-CG1 3.33Å; Q882-I886 PolarHBondContact O-N 2.91Å
883L81.8Confident80.9Confident99 Ų9999 Ų9952%0.51851%0.508SS..Hα-helixtrans-61.8-41174.4-89.1157.1000112L879 K880 I886 N887L879-L883 WeakPolarHBondContact O-CB 3.37Å; L879-L883 PolarHBondContact O-N 3.39Å; K880-L883 PolarHBondContact O-N 3.23Å; L883-I886 PolarHBondContact O-N 3.09Å; L883-N887 VanDerWaalsContact O-CB 3.31Å; L883-N887 WeakPolarHBondContact O-CB 3.49Å; L883-N887 PolarHBondContact O-N 3.14Å; L883-N887 PolarHBondContact O-ND2 3.37Å; L883-N887 VanDerWaalsContact O-ND2 3.12Å
884D86.4Confident81.9Confident70 Ų7097.8 Ų97.837%0.37450%0.502SS..Hα-helixtrans-67.2-38.3176.6-72.5-22.3000111.6K880 N881 Q882 N887 N888K880-D884 WeakPolarHBondContact O-CB 3.32Å; K880-D884 PolarHBondContact O-N 3.11Å; N881-D884 PolarHBondContact O-N 2.92Å; Q882-D884 VanDerWaalsContact C-N 3.34Å; Q882-D884 PolarHBondContact O-N 3.48Å; D884-N887 PolarHBondContact O-N 3.4Å; D884-N888 WeakPolarHBondContact O-CB 3.38Å; D884-N888 VanDerWaalsContact O-CG 3.22Å; D884-N888 PolarHBondContact O-N 2.96Å; D884-N888 PolarHBondContact O-ND2 3.4Å
885A83.7Confident82.7Confident57 Ų57101.1 Ų101.147%0.47151%0.51SS..Hα-helixtrans-64-45.9173.400000112N881 Q882 N887 N888 E889N881-A885 WeakPolarHBondContact O-CB 3.34Å; N881-A885 PolarHBondContact O-N 3.06Å; Q882-A885 PolarHBondContact O-N 3.25Å; A885-N887 VanDerWaalsContact C-N 3.34Å; A885-N887 PolarHBondContact O-N 3.46Å; A885-N888 PolarHBondContact O-N 3.24Å; A885-E889 PolarHBondContact O-N 2.95Å
886I83.5Confident83.6Confident87 Ų87102.8 Ų102.845%0.44652%0.515SS..Hα-helixtrans-62.8-42176.3-68.7165000110.6Q882 L883 N888 E889 I890Q882-I886 WeakPolarHBondContact O-CB 3.5Å; Q882-I886 VanDerWaalsContact O-CG1 3.24Å; Q882-I886 WeakPolarHBondContact O-CG1 3.33Å; Q882-I886 PolarHBondContact O-N 2.91Å; L883-I886 PolarHBondContact O-N 3.09Å; I886-N888 VanDerWaalsContact C-N 3.31Å; I886-N888 PolarHBondContact O-N 3.47Å; I886-E889 PolarHBondContact O-N 3.42Å; I886-I890 HydrophobicContact CG2-CD1 3.82Å; I886-I890 HydrophobicContact CG2-CG1 4.38Å; I886-I890 WeakPolarHBondContact O-CB 3.49Å; I886-I890 VanDerWaalsContact O-CG1 3.28Å; I886-I890 WeakPolarHBondContact O-CG1 3.43Å; I886-I890 PolarHBondContact O-N 3.07Å
887N85.2Confident84.3Confident81 Ų81106.6 Ų106.643%0.43352%0.522SS..Hα-helixtrans-65.4-34.8177.2-75.1-30.4000112.4L883 D884 A885 K891L883-N887 VanDerWaalsContact O-CB 3.31Å; L883-N887 WeakPolarHBondContact O-CB 3.49Å; L883-N887 PolarHBondContact O-N 3.14Å; L883-N887 PolarHBondContact O-ND2 3.37Å; L883-N887 VanDerWaalsContact O-ND2 3.12Å; D884-N887 PolarHBondContact O-N 3.4Å; A885-N887 VanDerWaalsContact C-N 3.34Å; A885-N887 PolarHBondContact O-N 3.46Å; N887-K891 PolarHBondContact O-N 3.27Å
888N84.6Confident84.4Confident96 Ų96101.9 Ų101.951%0.51351%0.514SS..Hα-helixtrans-69.4-40.1173.7-73.9-28.1000111.9D884 A885 I886 K891 L892D884-N888 WeakPolarHBondContact O-CB 3.38Å; D884-N888 VanDerWaalsContact O-CG 3.22Å; D884-N888 PolarHBondContact O-N 2.96Å; D884-N888 PolarHBondContact O-ND2 3.4Å; A885-N888 PolarHBondContact O-N 3.24Å; I886-N888 VanDerWaalsContact C-N 3.31Å; I886-N888 PolarHBondContact O-N 3.47Å; N888-K891 WeakPolarHBondContact O-CB 3.28Å; N888-K891 PolarHBondContact O-N 3.11Å; N888-L892 PolarHBondContact O-N 3.28Å
889E89.3Confident84.3Confident121 Ų121100 Ų10057%0.56551%0.509SS*.Hα-helixtrans-64-44.5174.7-170.7174.6-177.900111.3A885 I886 K891 L892 I893A885-E889 PolarHBondContact O-N 2.95Å; I886-E889 PolarHBondContact O-N 3.42Å; E889-K891 VanDerWaalsContact C-N 3.3Å; E889-K891 PolarHBondContact O-N 3.28Å; E889-L892 WeakPolarHBondContact O-CB 3.46Å; E889-L892 PolarHBondContact O-N 3.31Å; E889-L892 VanDerWaalsContact O-N 3.12Å; E889-I893 HydrophobicContact CG-CD1 4.09Å; E889-I893 VanDerWaalsContact O-CG1 3.31Å; E889-I893 WeakPolarHBondContact O-CG1 3.44Å; E889-I893 PolarHBondContact O-N 3.35Å
890I83.3Confident84.2Confident74 Ų7499.6 Ų99.638%0.37951%0.51SS..Hα-helixtrans-59.3-41.3173.4-69.7168.6000110.9I886 I893 Q894I886-I890 HydrophobicContact CG2-CD1 3.82Å; I886-I890 HydrophobicContact CG2-CG1 4.38Å; I886-I890 WeakPolarHBondContact O-CB 3.49Å; I886-I890 VanDerWaalsContact O-CG1 3.28Å; I886-I890 WeakPolarHBondContact O-CG1 3.43Å; I886-I890 PolarHBondContact O-N 3.07Å; I890-I893 PolarHBondContact O-N 3.47Å; I890-Q894 HydrophobicContact CG2-CG 4.36Å; I890-Q894 WeakPolarHBondContact O-CB 3.36Å; I890-Q894 VanDerWaalsContact O-CG 3.24Å; I890-Q894 WeakPolarHBondContact O-CG 3.49Å; I890-Q894 PolarHBondContact O-N 2.97Å
891K89.7Confident84.1Confident143 Ų14399 Ų9962%0.62251%0.509SS*.Hα-helixtrans-62.9-41.2174.5-91.2-176.7176.5177.20112.6N887 N888 E889 Q894 H895N887-K891 PolarHBondContact O-N 3.27Å; N888-K891 WeakPolarHBondContact O-CB 3.28Å; N888-K891 PolarHBondContact O-N 3.11Å; E889-K891 VanDerWaalsContact C-N 3.3Å; E889-K891 PolarHBondContact O-N 3.28Å; K891-Q894 PolarHBondContact O-N 3.36Å; K891-H895 WeakPolarHBondContact O-CB 3.33Å; K891-H895 PolarHBondContact O-N 3.48Å
892L86.7Confident83.7Confident126 Ų126101.5 Ų101.566%0.6652%0.52SS*.Hα-helixtrans-63.3-45.6175.6-104.7124.5000111.2N888 E889 Q894 H895 E896N888-L892 PolarHBondContact O-N 3.28Å; E889-L892 WeakPolarHBondContact O-CB 3.46Å; E889-L892 PolarHBondContact O-N 3.31Å; E889-L892 VanDerWaalsContact O-N 3.12Å; L892-Q894 VanDerWaalsContact C-N 3.33Å; L892-Q894 PolarHBondContact O-N 3.38Å; L892-H895 PolarHBondContact O-N 2.88Å; L892-E896 WeakPolarHBondContact O-CB 3.45Å; L892-E896 PolarHBondContact O-N 3.09Å
893I81.3Confident83.5Confident94 Ų94100.5 Ų100.548%0.48252%0.518SS..Hα-helixtrans-63.1-40.7176.9-66.7166.3000110.8E889 I890 E896 K897E889-I893 HydrophobicContact CG-CD1 4.09Å; E889-I893 VanDerWaalsContact O-CG1 3.31Å; E889-I893 WeakPolarHBondContact O-CG1 3.44Å; E889-I893 PolarHBondContact O-N 3.35Å; I890-I893 PolarHBondContact O-N 3.47Å; I893-E896 PolarHBondContact O-N 2.89Å; I893-K897 VanDerWaalsContact O-CB 3.25Å; I893-K897 WeakPolarHBondContact O-CB 3.48Å; I893-K897 PolarHBondContact O-N 2.93Å
894Q83.8Confident82.9Confident118 Ų11898.2 Ų98.255%0.55151%0.514SS*.Hα-helixtrans-66.7-38.9175.8-75.9175.4-2.800112.2I890 K891 L892 A898I890-Q894 HydrophobicContact CG2-CG 4.36Å; I890-Q894 WeakPolarHBondContact O-CB 3.36Å; I890-Q894 VanDerWaalsContact O-CG 3.24Å; I890-Q894 WeakPolarHBondContact O-CG 3.49Å; I890-Q894 PolarHBondContact O-N 2.97Å; K891-Q894 PolarHBondContact O-N 3.36Å; L892-Q894 VanDerWaalsContact C-N 3.33Å; L892-Q894 PolarHBondContact O-N 3.38Å; Q894-A898 WeakPolarHBondContact O-CB 3.45Å; Q894-A898 PolarHBondContact O-N 3.35Å
895H84.9Confident82.3Confident135 Ų13599.4 Ų99.463%0.62552%0.52SS*.Hα-helixtrans-64.4-48.6174-178.8-77.7000110.6K891 L892 K897 A898 T899K891-H895 WeakPolarHBondContact O-CB 3.33Å; K891-H895 PolarHBondContact O-N 3.48Å; L892-H895 PolarHBondContact O-N 2.88Å; H895-K897 VanDerWaalsContact C-N 3.33Å; H895-K897 PolarHBondContact O-N 3.41Å; H895-A898 WeakPolarHBondContact O-CB 3.26Å; H895-A898 PolarHBondContact O-N 3.49Å; H895-A898 VanDerWaalsContact O-N 3.09Å; H895-T899 PolarHBondContact O-N 3.15Å; H895-T899 PolarHBondContact O-OG1 3.24Å
896E84.2Confident81.4Confident125 Ų125101.2 Ų101.258%0.58452%0.519SS*.Hα-helixtrans-58.2-44.5176.7-170.7177-174.700111.5L892 I893 A898 T899 T900L892-E896 WeakPolarHBondContact O-CB 3.45Å; L892-E896 PolarHBondContact O-N 3.09Å; I893-E896 PolarHBondContact O-N 2.89Å; E896-A898 PolarHBondContact O-N 2.65Å; E896-T899 VanDerWaalsContact CA-OG1 3.29Å; E896-T899 WeakPolarHBondContact CA-OG1 3.43Å; E896-T899 PolarHBondContact O-N 3.17Å; E896-T899 PolarHBondContact O-OG1 2.84Å; E896-T900 WeakPolarHBondContact O-CG2 3.43Å; E896-T900 PolarHBondContact O-N 3.44Å; E896-T900 PolarHBondContact O-OG1 3.49Å
897K87.4Confident80Confident138 Ų138101.2 Ų101.260%0.652%0.519SS*.Hα-helixtrans-58.3-44.6172.4-173-176.3175.2-1720112.1I893 H895 T900 E901I893-K897 VanDerWaalsContact O-CB 3.25Å; I893-K897 WeakPolarHBondContact O-CB 3.48Å; I893-K897 PolarHBondContact O-N 2.93Å; H895-K897 VanDerWaalsContact C-N 3.33Å; H895-K897 PolarHBondContact O-N 3.41Å; K897-T900 VanDerWaalsContact CA-OG1 3.26Å; K897-T900 WeakPolarHBondContact CA-OG1 3.42Å; K897-T900 PolarHBondContact O-N 3.33Å; K897-T900 PolarHBondContact O-OG1 3.44Å; K897-E901 VanDerWaalsContact O-CB 3.26Å; K897-E901 WeakPolarHBondContact O-CB 3.49Å; K897-E901 PolarHBondContact O-N 3.42Å
898A83.7Confident78.2Confident54 Ų54104.7 Ų104.745%0.44653%0.531SS..Hα-helixtrans-65.4-41.4177.800000111.7Q894 H895 E896 E901 M902Q894-A898 WeakPolarHBondContact O-CB 3.45Å; Q894-A898 PolarHBondContact O-N 3.35Å; H895-A898 WeakPolarHBondContact O-CB 3.26Å; H895-A898 PolarHBondContact O-N 3.49Å; H895-A898 VanDerWaalsContact O-N 3.09Å; E896-A898 PolarHBondContact O-N 2.65Å; A898-E901 PolarHBondContact O-N 2.97Å; A898-M902 VanDerWaalsContact O-CB 3.26Å; A898-M902 WeakPolarHBondContact O-CB 3.36Å; A898-M902 PolarHBondContact O-N 3.16Å
899T83.2Confident76.4Confident68 Ų68102.7 Ų102.742%0.41753%0.532SS..Hα-helixtrans-63.6-40.2173.814.90000112.7H895 E896 M902 L903H895-T899 PolarHBondContact O-N 3.15Å; H895-T899 PolarHBondContact O-OG1 3.24Å; E896-T899 VanDerWaalsContact CA-OG1 3.29Å; E896-T899 WeakPolarHBondContact CA-OG1 3.43Å; E896-T899 PolarHBondContact O-N 3.17Å; E896-T899 PolarHBondContact O-OG1 2.84Å; T899-M902 PolarHBondContact O-N 3.41Å; T899-L903 VanDerWaalsContact O-CB 3.3Å; T899-L903 WeakPolarHBondContact O-CB 3.19Å; T899-L903 PolarHBondContact O-N 3.38Å
900T78.4Confident74.6Confident81 Ų81105.6 Ų105.650%0.49754%0.538SS..Hα-helixtrans-71.5-37178.445.90000111.9E896 K897 L903 A904E896-T900 WeakPolarHBondContact O-CG2 3.43Å; E896-T900 PolarHBondContact O-N 3.44Å; E896-T900 PolarHBondContact O-OG1 3.49Å; K897-T900 VanDerWaalsContact CA-OG1 3.26Å; K897-T900 WeakPolarHBondContact CA-OG1 3.42Å; K897-T900 PolarHBondContact O-N 3.33Å; K897-T900 PolarHBondContact O-OG1 3.44Å; T900-L903 PolarHBondContact O-N 3.47Å; T900-A904 VanDerWaalsContact O-CB 3.31Å; T900-A904 WeakPolarHBondContact O-CB 3.47Å; T900-A904 PolarHBondContact O-N 3.3Å
901E84.4Confident72.7Confident114 Ų114110.4 Ų110.453%0.53356%0.557SS.*Hα-helixtrans-65.8-42.2172.1-170.8165.1-157.300111.2K897 A898 L903 A904 D905K897-E901 VanDerWaalsContact O-CB 3.26Å; K897-E901 WeakPolarHBondContact O-CB 3.49Å; K897-E901 PolarHBondContact O-N 3.42Å; A898-E901 PolarHBondContact O-N 2.97Å; E901-L903 VanDerWaalsContact C-N 3.34Å; E901-L903 PolarHBondContact O-N 3.47Å; E901-A904 CarbonylContact O-C 3.57Å; E901-A904 WeakPolarHBondContact O-CB 3.47Å; E901-A904 PolarHBondContact O-N 2.82Å; E901-D905 WeakPolarHBondContact O-CB 3.28Å; E901-D905 PolarHBondContact O-N 2.96Å
902M77.6Confident70Confident128 Ų128105.4 Ų105.463%0.63155%0.545SS*.Hα-helixtrans-66.4-35.2175.6-156.4-17577.100112.2A898 T899 D905 E906A898-M902 VanDerWaalsContact O-CB 3.26Å; A898-M902 WeakPolarHBondContact O-CB 3.36Å; A898-M902 PolarHBondContact O-N 3.16Å; T899-M902 PolarHBondContact O-N 3.41Å; M902-D905 PolarHBondContact O-N 3.29Å; M902-E906 WeakPolarHBondContact O-CB 3.41Å; M902-E906 PolarHBondContact O-N 3.23Å
903L70.8Confident67.4Low101 Ų101105 Ų10553%0.52955%0.548SS..Hα-helixtrans-71.9-35.5174.1-165.1131.8000111.5T899 T900 E901 E906 L907T899-L903 VanDerWaalsContact O-CB 3.3Å; T899-L903 WeakPolarHBondContact O-CB 3.19Å; T899-L903 PolarHBondContact O-N 3.38Å; T900-L903 PolarHBondContact O-N 3.47Å; E901-L903 VanDerWaalsContact C-N 3.34Å; E901-L903 PolarHBondContact O-N 3.47Å; L903-E906 PolarHBondContact O-N 3.43Å; L903-L907 HydrophobicContact CD2-CD1 3.91Å; L903-L907 WeakPolarHBondContact O-CB 3.09Å; L903-L907 VanDerWaalsContact O-CG 3.32Å; L903-L907 WeakPolarHBondContact O-CG 3.45Å; L903-L907 PolarHBondContact O-N 3.39Å
904A69.3Low65.1Low52 Ų52106.3 Ų106.343%0.4356%0.561SS.*Hα-helixtrans-66.9-39.1171.600000111.5T900 E901 L907 K908T900-A904 VanDerWaalsContact O-CB 3.31Å; T900-A904 WeakPolarHBondContact O-CB 3.47Å; T900-A904 PolarHBondContact O-N 3.3Å; E901-A904 CarbonylContact O-C 3.57Å; E901-A904 WeakPolarHBondContact O-CB 3.47Å; E901-A904 PolarHBondContact O-N 2.82Å; A904-L907 PolarHBondContact O-N 3.38Å; A904-K908 WeakPolarHBondContact O-CB 3.23Å; A904-K908 PolarHBondContact O-N 3.48Å
905D72.4Confident62.7Low95 Ų95107.6 Ų107.651%0.50857%0.572SS.*Hα-helixtrans-71-33.6173.6-79.9-20.1000112E901 M902 K908 G909E901-D905 WeakPolarHBondContact O-CB 3.28Å; E901-D905 PolarHBondContact O-N 2.96Å; M902-D905 PolarHBondContact O-N 3.29Å; D905-K908 CarbonylContact O-C 3.6Å; D905-K908 PolarHBondContact O-N 3.08Å; D905-G909 WeakPolarHBondContact O-CA 3.14Å; D905-G909 PolarHBondContact O-N 2.99Å
906E65.8Low60.3Low95 Ų95107.1 Ų107.144%0.44457%0.572SS.*Hα-helixtrans-65.9-42.5170.7-169.5-170.9159.600110.5M902 L903 G909 R910M902-E906 WeakPolarHBondContact O-CB 3.41Å; M902-E906 PolarHBondContact O-N 3.23Å; L903-E906 PolarHBondContact O-N 3.43Å; E906-G909 PolarHBondContact O-N 3.34Å; E906-R910 WeakPolarHBondContact O-CB 3.35Å; E906-R910 VanDerWaalsContact O-CG 3.31Å; E906-R910 WeakPolarHBondContact O-CG 3.43Å; E906-R910 PolarHBondContact O-N 3.39Å; E906-R910 IonicContact OE1-CZ 3.84Å; E906-R910 IonicContact OE1-NE 2.93Å; E906-R910 PolarHBondContact OE1-NE 3.45Å; E906-R910 VanDerWaalsContact OE1-NE 3.13Å; E906-R910 IonicContact OE1-NH2 3.4Å; E906-R910 PolarHBondContact OE1-NH2 3.42Å
907L53.7Low57.8Low87 Ų87106.7 Ų106.746%0.45557%0.574SS.*Hα-helixtrans-63.6-44.9173.1-76.4166.3000110.7L903 A904 G909 R910 F911L903-L907 HydrophobicContact CD2-CD1 3.91Å; L903-L907 WeakPolarHBondContact O-CB 3.09Å; L903-L907 VanDerWaalsContact O-CG 3.32Å; L903-L907 WeakPolarHBondContact O-CG 3.45Å; L903-L907 PolarHBondContact O-N 3.39Å; A904-L907 PolarHBondContact O-N 3.38Å; L907-G909 VanDerWaalsContact C-N 3.26Å; L907-G909 PolarHBondContact O-N 3.23Å; L907-R910 PolarHBondContact O-N 3.49Å; L907-F911 WeakPolarHBondContact O-CD2 3.08Å; L907-F911 PolarHBondContact O-N 2.96Å
908K47.6Very low55.5Low154 Ų154104.7 Ų104.767%0.6757%0.573SS**Hα-helixtrans-65.6-30.9177.3-163.7177.2-176.9-176.80112.2A904 D905 F911 G912A904-K908 WeakPolarHBondContact O-CB 3.23Å; A904-K908 PolarHBondContact O-N 3.48Å; D905-K908 CarbonylContact O-C 3.6Å; D905-K908 PolarHBondContact O-N 3.08Å; K908-F911 CarbonylContact O-C 3.59Å; K908-F911 VanDerWaalsContact O-C 3.26Å; K908-G912 WeakPolarHBondContact O-CA 3.36Å; K908-G912 PolarHBondContact O-N 3.32Å
909G47.9Very low53.3Low53 Ų53109.4 Ų109.455%0.54659%0.586SS.*Hα-helixtrans-76.4-37.9173.400000112.5D905 E906 L907 F911 G912D905-G909 WeakPolarHBondContact O-CA 3.14Å; D905-G909 PolarHBondContact O-N 2.99Å; E906-G909 PolarHBondContact O-N 3.34Å; L907-G909 VanDerWaalsContact C-N 3.26Å; L907-G909 PolarHBondContact O-N 3.23Å; G909-F911 PolarHBondContact O-N 3.45Å; G909-G912 PolarHBondContact O-N 2.89Å
910R51.5Low51.1Low183 Ų183112.5 Ų112.569%0.69160%0.599SS**Hα-helixtrans-65.1-25.9170.9-77.7-176.1-173.7-145.55.9112.2E906 L907E906-R910 WeakPolarHBondContact O-CB 3.35Å; E906-R910 VanDerWaalsContact O-CG 3.31Å; E906-R910 WeakPolarHBondContact O-CG 3.43Å; E906-R910 PolarHBondContact O-N 3.39Å; E906-R910 IonicContact OE1-CZ 3.84Å; E906-R910 IonicContact OE1-NE 2.93Å; E906-R910 PolarHBondContact OE1-NE 3.45Å; E906-R910 VanDerWaalsContact OE1-NE 3.13Å; E906-R910 IonicContact OE1-NH2 3.4Å; E906-R910 PolarHBondContact OE1-NH2 3.42Å; L907-R910 PolarHBondContact O-N 3.49Å
911F41.6Very low49Very low175 Ų175115.3 Ų115.377%0.76861%0.61SS**THydrogen-bonded Turntrans-107.516.9172.2-64.7-70.3000113L907 K908 G909 T913L907-F911 WeakPolarHBondContact O-CD2 3.08Å; L907-F911 PolarHBondContact O-N 2.96Å; K908-F911 CarbonylContact O-C 3.59Å; K908-F911 VanDerWaalsContact O-C 3.26Å; G909-F911 PolarHBondContact O-N 3.45Å; F911-T913 PolarHBondContact O-N 2.93Å
912G34.1Very low46.6Very low37 Ų37116.4 Ų116.438%0.38162%0.62SS.*SBendtrans-80.187.5-179.200000111K908 G909 T914K908-G912 WeakPolarHBondContact O-CA 3.36Å; K908-G912 PolarHBondContact O-N 3.32Å; G909-G912 PolarHBondContact O-N 2.89Å; G912-T914 PolarHBondContact O-N 2.88Å; G912-T914 VanDerWaalsContact O-N 3.15Å
913T32.2Very low44.7Very low118 Ų118116.7 Ų116.772%0.72462%0.623SS**  trans42.957.9154.266.80000115.3F911 D915F911-T913 PolarHBondContact O-N 2.93Å; T913-D915 PolarHBondContact O-N 3.43Å; T913-D915 VanDerWaalsContact O-N 3.13Å
914T33.2Very low42.8Very low122 Ų122120 Ų12075%0.74864%0.637SS**  trans-70.894.5136.4-21.50000104G912 I916G912-T914 PolarHBondContact O-N 2.88Å; G912-T914 VanDerWaalsContact O-N 3.15Å; T914-I916 HydrophobicContact CG2-CG1 4.01Å; T914-I916 PolarHBondContact O-N 3.37Å
915D32.9Very low40.9Very low145 Ų145127.1 Ų127.178%0.77566%0.658SS**  trans-58.977.9159.1-76.1-39.6000106.3T913 N917T913-D915 PolarHBondContact O-N 3.43Å; T913-D915 VanDerWaalsContact O-N 3.13Å; D915-N917 PolarHBondContact O-N 2.95Å
916I34.9Very low38.8Very low124 Ų124131 Ų13164%0.63667%0.67SS**  trans-69.786.6163.5-59.8177.5000102.2T914 V918T914-I916 HydrophobicContact CG2-CG1 4.01Å; T914-I916 PolarHBondContact O-N 3.37Å; I916-V918 HydrophobicContact CG2-CG2 3.93Å; I916-V918 WeakPolarHBondContact O-CG2 3.49Å; I916-V918 PolarHBondContact O-N 3.49Å
917N31.7Very low37.1Very low116 Ų116132.6 Ų132.662%0.6269%0.687SS**  trans-62.785.3168.5-169.7-3.7000106.5D915 H919 N920D915-N917 PolarHBondContact O-N 2.95Å; N917-H919 PolarHBondContact O-N 3.24Å; N917-H919 WeakPolarHBondContact OD1-CB 3.47Å; N917-H919 PolarHBondContact OD1-N 2.98Å; N917-N920 PolarHBondContact O-N 3.04Å
918V37.9Very low35.8Very low96 Ų96138.5 Ų138.558%0.58271%0.709SS**G310 helixtrans-60-3.5177.7173.40000111.7I916 N920I916-V918 HydrophobicContact CG2-CG2 3.93Å; I916-V918 WeakPolarHBondContact O-CG2 3.49Å; I916-V918 PolarHBondContact O-N 3.49Å; V918-N920 PolarHBondContact O-N 3.49Å
919H38Very low35Very low154 Ų154137.7 Ų137.771%0.71371%0.712SS**G310 helixtrans-760.4172-79.169.3000115.4N917N917-H919 PolarHBondContact O-N 3.24Å; N917-H919 WeakPolarHBondContact OD1-CB 3.47Å; N917-H919 PolarHBondContact OD1-N 2.98Å
920N36.3Very low33.9Very low132 Ų132143 Ų14371%0.70672%0.722SS**G310 helixtrans-109.50.4178.5-120.314.6000117.3N917 V918N917-N920 PolarHBondContact O-N 3.04Å; V918-N920 PolarHBondContact O-N 3.49Å
921I35.2Very low32.7Very low140 Ų140144.4 Ų144.472%0.71873%0.729SS**THydrogen-bonded Turntrans-97.6-20.3174.7-62.5179.9000112.4N923I921-N923 PolarHBondContact O-N 3.33Å
922N34.9Very low31.9Very low138 Ų138140.6 Ų140.674%0.73873%0.73SS**THydrogen-bonded Turntrans-86.83.4-178.4-78.2-16.6000115.6
923N37.3Very low31.7Very low133 Ų133146.6 Ų146.671%0.71175%0.753SS**THydrogen-bonded Turntrans-114.73-179.7-75.9-22.5000115.8I921I921-N923 PolarHBondContact O-N 3.33Å
924E31.1Very low31.5Very low172 Ų172145.5 Ų145.580%0.80475%0.751SS**SBendtrans-95.9-2.6-179.1-126.3-179.4-175.800115.7
925F29.1Very low31.4Very low201 Ų201151.2 Ų151.288%0.88276%0.758SS**SBendtrans-126.649.6174.5-80.1-80.8000113.4
926K27.4Very low31.9Very low175 Ų175150 Ų15076%0.76176%0.758SS**SBendtrans-163.7121.5149.6-111.9160.5-175.2174.90110.8
927T30.2Very low31.4Very low130 Ų130151.8 Ų151.880%0.79877%0.768SS**  trans101.872.616576.60000117.3N929T927-N929 PolarHBondContact O-N 3.09Å
928K27.1Very low31.4Very low211 Ų211150.1 Ų150.192%0.91778%0.778SS**  trans-64.681.3143.3-152.1178.3-164.8175.90107.8
929N29.6Very low30.9Very low137 Ų137151.6 Ų151.673%0.73378%0.782SS**  trans-161.798.1162.9-98.5-17000111.9T927T927-N929 PolarHBondContact O-N 3.09Å
930Q26.1Very low30.5Very low164 Ų164151.1 Ų151.177%0.76679%0.785SS**  trans59.9117.2132.3-76.2-172.51200122.4
931Y25.2Very low30.3Very low213 Ų213148 Ų14884%0.83579%0.785SS**  trans72.4111142.3-75.4-79.9000122
932A26.1Very low29.9Very low95 Ų95148 Ų14879%0.78579%0.786SS**  trans51.3113.8134.500000120.1
933D30Very low29.7Very low162 Ų162148.2 Ų148.287%0.86679%0.787SS**  -163.4149.3101.7-147.6-10.6000111.4
934S26.9Very low29.2Very low96 Ų96148.4 Ų148.467%0.67179%0.788SS**  trans-96.3147.5-173.1-52.40000111.3
935R30.6Very low29.2Very low241 Ų241147.5 Ų147.591%0.90979%0.789SS**  164.7156.7128.1-89.8167-173.7-147.22.6113.9
936P43.8Very low29Very low119 Ų119147.2 Ų147.277%0.77379%0.79SS**  trans-118169.4-131.541.9-32.8000116.5
937I25.3Very low29.1Very low162 Ų162143 Ų14383%0.83179%0.789SS**  trans-40.8130.9166.6-62.5161.4000113.5
938G31Very low29.1Very low81 Ų81143.8 Ų143.884%0.83579%0.788SS**  trans-112.1122.3162.400000109.5
939N28.5Very low29.1Very low127 Ų127145.4 Ų145.468%0.67979%0.788SS**  trans-103.4168-176.3-164.635.2000110.5
940D28.5Very low29Very low144 Ų144146.4 Ų146.477%0.7779%0.793SS**  trans84.8134.2157.7-61.7-45.1000120.3
941G31.3Very low29Very low68 Ų68141.4 Ų141.470%0.70179%0.786SS**  trans150.854.2146.900000118.7N943G941-N943 PolarHBondContact O-N 2.89Å
942N27.4Very low29.2Very low139 Ų139139.1 Ų139.174%0.74379%0.788SS**  trans-50.6123.5162.6-162.58.1000111.4
943N31.7Very low29.3Very low143 Ų143143 Ų14377%0.76579%0.79SS**  trans-139.792.1169.9-94.4-27000110.7G941 N945G941-N943 PolarHBondContact O-N 2.89Å; N943-N945 PolarHBondContact O-N 3.33Å
944N26.6Very low29.3Very low136 Ų136141.1 Ų141.173%0.72779%0.789SS**  trans-64.2109.6161.3-74.6-35.2000109.7
945N30.9Very low29.4Very low153 Ų153141.8 Ų141.882%0.81879%0.793SS**  trans-110.385.4163-80.1-29.2000108.8N943N943-N945 PolarHBondContact O-N 3.33Å
946Q24.8Very low29.1Very low196 Ų196139.3 Ų139.392%0.91679%0.792SS**  trans-90.1100.1165.6-159.8168.416.800106.3
947A29.5Very low28.9Very low87 Ų87139.1 Ų139.172%0.71979%0.791SS**  trans-129.6105.3177.400000110.4
948D29.2Very low29Very low146 Ų146137 Ų13778%0.78179%0.79SS**  trans56.8106.5141.2-66.3-30.7000121.4N950D948-N950 PolarHBondContact O-N 3.3Å
949R27.3Very low28.9Very low244 Ų244137.9 Ų137.992%0.92179%0.79SS**  trans-21.1110.1133.6-74176169.2169.6-2.8112.6
950N28.8Very low28.7Very low159 Ų159139.6 Ų139.685%0.8580%0.799SS**  trans-124.9104.2153.9-98.5-26.7000109.2D948D948-N950 PolarHBondContact O-N 3.3Å
951G26.4Very low28.7Very low59 Ų59137.1 Ų137.161%0.60880%0.798SS**  trans-70.3122.9170.100000110.2
952N28.9Very low28.6Very low164 Ų164138.9 Ų138.988%0.87780%0.8SS**  trans-97.887.9160.5-92-14.9000108.3S954N952-S954 PolarHBondContact O-N 3.43Å
953H28.7Very low28.5Very low178 Ų178140.6 Ų140.682%0.82481%0.808SS**  trans-77.186.3162-72.6-72.1000108.9S955H953-S955 PolarHBondContact O-N 2.91Å
954S30.2Very low28.2Very low121 Ų121138.6 Ų138.685%0.84681%0.805SS**  trans-79.8101.6164.355.30000108.7N952N952-S954 PolarHBondContact O-N 3.43Å
955S27.2Very low28.3Very low110 Ų110138.5 Ų138.577%0.76981%0.805SS**  trans-83.9120.8173.44.30000109H953H953-S955 PolarHBondContact O-N 2.91Å
956E25.6Very low28.1Very low189 Ų189140 Ų14088%0.88380%0.804SS**  trans-142.7145.5160.5-103.6-164.1145.700109.1
957P38.1Very low28.2Very low115 Ų115137.9 Ų137.975%0.74780%0.799SS**  -107.9145.6-121.514.64000113.1A959P957-A959 PolarHBondContact O-N 3.49Å
958S28.2Very low28Very low117 Ų117143.9 Ų143.982%0.81881%0.805SS**  trans-55.694.9167.1-53.50000111.7L960S958-L960 VanDerWaalsContact C-N 3.29Å; S958-L960 PolarHBondContact O-N 3.42Å
959A28.5Very low27.8Very low101 Ų101147.3 Ų147.384%0.83581%0.807SS**  trans-85.275.5160.800000109.1P957P957-A959 PolarHBondContact O-N 3.49Å
960L25Very low27.7Very low163 Ų163141.8 Ų141.885%0.85380%0.8SS**  trans-101.899.2161.2-77.3174.7000108.1S958S958-L960 VanDerWaalsContact C-N 3.29Å; S958-L960 PolarHBondContact O-N 3.42Å
961A28.3Very low27.6Very low91 Ų91139.8 Ų139.875%0.75279%0.794SS**  trans-165.8126.6151.800000110.6
962S28.7Very low27.5Very low106 Ų106143 Ų14374%0.74180%0.802SS**  trans79.871152.2-50.40000119.1
963L26.3Very low27.5Very low175 Ų175139.6 Ų139.692%0.91680%0.796SS**  trans-142.658.6140.2-77-179.3000110.4
964S25.4Very low27.3Very low100 Ų100137.2 Ų137.270%0.69979%0.794SS**  trans-76.1138.3152.753.30000108.7
965N28Very low27.3Very low135 Ų135137.3 Ų137.372%0.72279%0.79SS**  trans93.274174.5-55.7-11.8000116.6
966F27.7Very low27.2Very low184 Ų184140.6 Ų140.681%0.80779%0.793SS**  trans-128.694.3139.5-97.2-83.6000109.6Y968F966-Y968 PolarHBondContact O-N 3.02Å; F966-Y968 VanDerWaalsContact O-N 3.09Å
967N26.8Very low27.2Very low152 Ų152140.3 Ų140.381%0.81379%0.794SS**  trans-58.5104164.6-80.4-34000108.8R969N967-R969 VanDerWaalsContact C-N 3.27Å; N967-R969 PolarHBondContact O-N 2.87Å
968Y24.7Very low26.6Very low212 Ų212141.1 Ų141.183%0.83179%0.792SS**  trans-71.391.3163.8-85.3-82.4000108.7F966 T970F966-Y968 PolarHBondContact O-N 3.02Å; F966-Y968 VanDerWaalsContact O-N 3.09Å; Y968-T970 PolarHBondContact O-N 3.24Å; Y968-T970 VanDerWaalsContact O-N 3.14Å
969R25.2Very low26.5Very low219 Ų219141.4 Ų141.483%0.82679%0.789SS**  trans-70.593.8161.2-171.2-178.6-166.5-173.44.2107.4N967 T971N967-R969 VanDerWaalsContact C-N 3.27Å; N967-R969 PolarHBondContact O-N 2.87Å; R969-T971 PolarHBondContact O-N 3.49Å
970T25.7Very low26.4Very low127 Ų127142 Ų14278%0.77978%0.778SS**  trans-71.194.7171.5-29.80000108.2Y968 T972Y968-T970 PolarHBondContact O-N 3.24Å; Y968-T970 VanDerWaalsContact O-N 3.14Å; T970-T972 PolarHBondContact O-N 3.05Å
971T26.8Very low26.4Very low117 Ų117141.7 Ų141.772%0.71878%0.776SS**  trans-68.1108.5165.132.30000108.8R969 A973R969-T971 PolarHBondContact O-N 3.49Å; T971-A973 PolarHBondContact O-N 3.25Å
972T24.4Very low26.3Very low128 Ų128147.6 Ų147.679%0.78578%0.78SS**  trans-63106.2165.230.90000109.4T970 T974T970-T972 PolarHBondContact O-N 3.05Å; T972-T974 PolarHBondContact O-N 3.45Å
973A27.4Very low26.2Very low91 Ų91151 Ų15175%0.75278%0.784SS**  trans-90.195.9166.300000108.5T971 T975T971-A973 PolarHBondContact O-N 3.25Å; A973-T975 PolarHBondContact O-N 3.49Å; A973-T975 VanDerWaalsContact O-N 3.15Å
974T26.3Very low26.2Very low128 Ų128149.9 Ų149.979%0.78578%0.779SS**  trans-63104.6168.3-48.70000108.9T972T972-T974 PolarHBondContact O-N 3.45Å
975T28.6Very low26.4Very low124 Ų124150.3 Ų150.376%0.76178%0.78SS**  trans-101106.4165.5-50.60000107.3A973 M977A973-T975 PolarHBondContact O-N 3.49Å; A973-T975 VanDerWaalsContact O-N 3.15Å; T975-M977 PolarHBondContact O-N 3.48Å
976Q26.4Very low26.3Very low178 Ų178149.4 Ų149.483%0.83278%0.784SS**  trans-53.4118.5169.7-82.8169.4-23.200109.1N978Q976-N978 PolarHBondContact O-N 3.05Å; Q976-N978 VanDerWaalsContact O-N 3.07Å
977M25.1Very low26.3Very low184 Ų184146.7 Ų146.791%0.90678%0.782SS**  trans-7099164.5-70.1-164.5-17100107.8T975 T979T975-M977 PolarHBondContact O-N 3.48Å; M977-T979 PolarHBondContact O-N 2.89Å
978N26.4Very low26.2Very low132 Ų132144.2 Ų144.271%0.70678%0.777SS**  trans-77.6108.9162.8-151.935.5000106.9Q976 D980Q976-N978 PolarHBondContact O-N 3.05Å; Q976-N978 VanDerWaalsContact O-N 3.07Å; N978-D980 VanDerWaalsContact C-N 3.26Å; N978-D980 PolarHBondContact ND2-OD2 3.36Å; N978-D980 VanDerWaalsContact ND2-OD2 3.09Å; N978-D980 PolarHBondContact O-N 2.93Å
979T25.3Very low26.2Very low123 Ų123144.7 Ų144.776%0.75578%0.779SS**  trans-75.876.5177490000109.6M977M977-T979 PolarHBondContact O-N 2.89Å
980D25.5Very low26.3Very low113 Ų113140 Ų14060%0.60477%0.774SS**  trans-95.2112.9165.1-75.7-40.6000109.4N978 Y982N978-D980 VanDerWaalsContact C-N 3.26Å; N978-D980 PolarHBondContact ND2-OD2 3.36Å; N978-D980 VanDerWaalsContact ND2-OD2 3.09Å; N978-D980 PolarHBondContact O-N 2.93Å; D980-Y982 PolarHBondContact O-N 2.91Å
981I26.8Very low26.3Very low157 Ų157141.9 Ų141.981%0.80578%0.775SS**  trans-57.3100.1-179.7-63.5162.2000109.1Q983I981-Q983 PolarHBondContact O-N 3.3Å
982Y24.7Very low26.3Very low215 Ų215145.5 Ų145.584%0.84378%0.78SS**  trans-90100.5165.6-90.9-82.8000110.1D980 N984D980-Y982 PolarHBondContact O-N 2.91Å; Y982-N984 PolarHBondContact O-N 3.34Å; Y982-N984 VanDerWaalsContact O-N 3.11Å
983Q27.4Very low26.5Very low176 Ų176148.3 Ų148.382%0.82278%0.782SS**  trans-55.4103.1163.4-127155.5-7.200109.1I981I981-Q983 PolarHBondContact O-N 3.3Å
984N25.1Very low26.5Very low152 Ų152149.3 Ų149.381%0.81378%0.781SS**  trans-68.1124.5172.1-96.5-35.6000109.3Y982 S986Y982-N984 PolarHBondContact O-N 3.34Å; Y982-N984 VanDerWaalsContact O-N 3.11Å; N984-S986 PolarHBondContact O-N 2.97Å
985P30.1Very low26.5Very low109 Ų109148.6 Ų148.671%0.70878%0.776SS**  trans-69.8131.2178.228.3-30.9000109.9V987P985-V987 PolarHBondContact O-N 3.01Å
986S25.3Very low26.3Very low116 Ų116148.8 Ų148.881%0.81178%0.778SS**  trans-60.1108.1178.230.10000111.8N984 S988N984-S986 PolarHBondContact O-N 2.97Å; S986-S988 PolarHBondContact O-N 2.78Å; S986-S988 VanDerWaalsContact O-N 3.16Å
987V27.7Very low26.3Very low127 Ų127150.6 Ų150.677%0.7778%0.778SS**  trans-79.198.3166.9-176.10000108P985 Y989P985-V987 PolarHBondContact O-N 3.01Å; V987-Y989 PolarHBondContact O-N 3.07Å
988S25.5Very low26.3Very low101 Ų101147.9 Ų147.971%0.70677%0.772SS**  trans-71.8111.1174.234.20000110.3S986 T990S986-S988 PolarHBondContact O-N 2.78Å; S986-S988 VanDerWaalsContact O-N 3.16Å; S988-T990 PolarHBondContact O-N 3.14Å
989Y25.4Very low26.1Very low222 Ų222149.3 Ų149.387%0.87178%0.779SS**  trans-76.8105.8164.9-92.5-89.3000109V987 Q991V987-Y989 PolarHBondContact O-N 3.07Å; Y989-Q991 PolarHBondContact O-N 3.17Å; Y989-Q991 VanDerWaalsContact O-N 3.17Å
990T27.2Very low26.1Very low119 Ų119149.8 Ų149.873%0.7378%0.782SS**  trans-69.3107.4171.851.60000109.9S988 K992S988-T990 PolarHBondContact O-N 3.14Å; T990-K992 PolarHBondContact O-N 3.15Å; T990-K992 VanDerWaalsContact O-N 3.09Å
991Q26Very low26.2Very low168 Ų168149.9 Ų149.979%0.78579%0.789SS**  trans-54108165.1-93.9171.3-2800109.9Y989 F993Y989-Q991 PolarHBondContact O-N 3.17Å; Y989-Q991 VanDerWaalsContact O-N 3.17Å; Q991-F993 PolarHBondContact O-N 3.35Å
992K26.8Very low26.3Very low193 Ų193151.5 Ų151.584%0.83979%0.793SS**  trans-78.6112.4161.3-74.4-178.5175.9-179.40107.3T990 P994T990-K992 PolarHBondContact O-N 3.15Å; T990-K992 VanDerWaalsContact O-N 3.09Å; K992-P994 VanDerWaalsContact O-CD 3.25Å; K992-P994 WeakPolarHBondContact O-CD 3.37Å
993F27.3Very low26.5Very low186 Ų186145.2 Ų145.282%0.81678%0.778SS**  trans-70.1120.9171.3-71.9-89.7000110.4Q991Q991-F993 PolarHBondContact O-N 3.35Å
994P28Very low26.5Very low112 Ų112142.2 Ų142.273%0.72778%0.777SS**  trans-103.4107.4159.618.53.1000108.6K992K992-P994 VanDerWaalsContact O-CD 3.25Å; K992-P994 WeakPolarHBondContact O-CD 3.37Å
995T26.9Very low26.5Very low113 Ų113145.9 Ų145.969%0.69378%0.781SS**  trans31.2107.4137.3-31.50000117.8Y997T995-Y997 WeakPolarHBondContact O-CD2 3.3Å; T995-Y997 PolarHBondContact O-N 3.34Å
996T23.9Very low26.4Very low128 Ų128148.9 Ų148.979%0.78579%0.79SS**  trans-15.4104.2151.7-47.50000114.8
997Y26.1Very low26.4Very low216 Ų216145.9 Ų145.985%0.84778%0.777SS**  trans-93.8113.8159.2-83-86.9000109T995 L999T995-Y997 WeakPolarHBondContact O-CD2 3.3Å; T995-Y997 PolarHBondContact O-N 3.34Å; Y997-L999 PolarHBondContact O-N 3.49Å
998T24.8Very low26.2Very low127 Ų127150.7 Ų150.778%0.77978%0.783SS**  trans-64.8113.4174.5-38.10000109.1T1000T998-T1000 PolarHBondContact O-N 3.23Å
999L22.7Very low26.2Very low163 Ų163152.7 Ų152.785%0.85379%0.786SS**  trans-68.1107.1175.7-83.3109.6000110.9Y997Y997-L999 PolarHBondContact O-N 3.49Å
1000T25.6Very low26.3Very low133 Ų133148.5 Ų148.582%0.81678%0.783SS**  trans-90.5121.415234.40000108.7T998T998-T1000 PolarHBondContact O-N 3.23Å
1001P26.5Very low26.3Very low115 Ų115153 Ų15375%0.74779%0.787SS**  trans-88.1128.1-170.933.6-30.7000111.4
1002H28.7Very low26.4Very low191 Ų191153.2 Ų153.288%0.88479%0.793SS**  trans-127.1141.7157.2-108-76.6000109.4
1003P30.4Very low26.3Very low83 Ų83153.2 Ų153.254%0.53980%0.795SS.*  trans-96.8156.4-154.934.7-26.5000114.3
1004S27.2Very low26.3Very low113 Ų113148.8 Ų148.879%0.7979%0.793SS**  trans-64.3133-175-38.50000114.5
1005Y23.7Very low26.3Very low229 Ų229148.9 Ų148.990%0.89880%0.796SS**  trans-176.9113.7130.2-113.8-84.5000108
1006L28.3Very low26.3Very low171 Ų171151.3 Ų151.390%0.89580%0.803SS**  trans-168.1120.8147-105.7161.5000108.8
1007G25.2Very low26.5Very low53 Ų53153.6 Ų153.655%0.54681%0.807SS.*  trans-6714917900000112.9D1009G1007-D1009 PolarHBondContact O-N 2.96Å
1008Y24.9Very low26.7Very low229 Ų229150.5 Ų150.590%0.89881%0.806SS**  trans30.474.4147.3-54.9-75.2000116.4
1009D25.1Very low26.8Very low142 Ų142150.3 Ų150.376%0.75981%0.806SS**  trans-91.997.3156.7-151.8-12.1000108.2G1007 R1011G1007-D1009 PolarHBondContact O-N 2.96Å; D1009-R1011 PolarHBondContact O-N 3.24Å
1010T27.7Very low26.9Very low134 Ų134151.2 Ų151.282%0.82281%0.808SS**  trans-75.159.9174.535.40000110.3
1011R27Very low27Very low214 Ų214149.3 Ų149.381%0.80881%0.806SS**  trans-148.180.5173.2-69.6-168176-173.9-0.2112.6D1009D1009-R1011 PolarHBondContact O-N 3.24Å
1012L27.6Very low27Very low172 Ų172151.7 Ų151.790%0.90181%0.811SS**  trans-135.893.7147.1-95.8166.6000109A1014L1012-A1014 PolarHBondContact O-N 3.31Å; L1012-A1014 VanDerWaalsContact O-N 3.13Å
1013H25.4Very low26.9Very low193 Ų193153.8 Ų153.889%0.89481%0.811SS**  trans-50.7107.5157.1-105.8-90.2000108.9
1014A27.5Very low26.7Very low93 Ų93158.9 Ų158.977%0.76983%0.828SS**  trans-97.1119.6161.700000108L1012 I1016L1012-A1014 PolarHBondContact O-N 3.31Å; L1012-A1014 VanDerWaalsContact O-N 3.13Å; A1014-I1016 PolarHBondContact O-N 3.29Å
1015S27.7Very low26.9Very low114 Ų114159.9 Ų159.980%0.79783%0.829SS**  trans-51.1127.7-176.6-56.70000112.9M1017S1015-M1017 PolarHBondContact O-N 3.44Å
1016I27.5Very low27Very low164 Ų164152.7 Ų152.784%0.84182%0.824SS**  trans-53.3111.3165.9-64.8168.8000107.8A1014 N1018A1014-I1016 PolarHBondContact O-N 3.29Å; I1016-N1018 PolarHBondContact O-N 2.97Å
1017M27.9Very low26.9Very low177 Ų177153.8 Ų153.887%0.87283%0.825SS**PPolyproline II helixtrans-62.2126.7169.6-83.8166.867.500109.3S1015S1015-M1017 PolarHBondContact O-N 3.44Å
1018N30.4Very low26.9Very low151 Ų151156.5 Ų156.581%0.80784%0.835SS**PPolyproline II helixtrans-51.4135.3174.7-84.2-43.8000112.2I1016 M1020I1016-N1018 PolarHBondContact O-N 2.97Å; N1018-M1020 PolarHBondContact O-N 3.34Å
1019P27Very low26.9Very low122 Ų122155.1 Ų155.179%0.79283%0.834SS**PPolyproline II helixtrans-69.5121.5176.927.5-31.3000110.6A1021P1019-A1021 PolarHBondContact O-N 3.15Å
1020M23.4Very low26.9Very low182 Ų182156.5 Ų156.590%0.89784%0.84SS**PPolyproline II helixtrans-61.9118.6174.9-80.1171.554.100110.9N1018 I1022N1018-M1020 PolarHBondContact O-N 3.34Å; M1020-I1022 PolarHBondContact O-N 2.87Å
1021A28.3Very low26.7Very low93 Ų93160.3 Ų160.377%0.76984%0.841SS**PPolyproline II helixtrans-64.6119.4172.500000111.2P1019 R1023P1019-A1021 PolarHBondContact O-N 3.15Å; A1021-R1023 PolarHBondContact O-N 3.39Å; A1021-R1023 VanDerWaalsContact O-N 3.16Å
1022I26.6Very low26.5Very low165 Ų165154.7 Ų154.785%0.84684%0.835SS**  trans-65.5106.4170.9-62.7168.3000108.1M1020 Q1024M1020-I1022 PolarHBondContact O-N 2.87Å; I1022-Q1024 PolarHBondContact O-N 3.15Å
1023R26.7Very low26.5Very low235 Ų235155.5 Ų155.589%0.88783%0.834SS**  trans-77.7113.8168.2-78.9-172.8176.4-146.10.3109A1021 T1025A1021-R1023 PolarHBondContact O-N 3.39Å; A1021-R1023 VanDerWaalsContact O-N 3.16Å; R1023-T1025 PolarHBondContact O-N 3.2Å
1024Q26.6Very low26.3Very low191 Ų191149.6 Ų149.689%0.89383%0.825SS**PPolyproline II helixtrans-63.2127.7167.4-85.5179.4-12.500110.5I1022I1022-Q1024 PolarHBondContact O-N 3.15Å
1025T30Very low26.2Very low134 Ų134151.3 Ų151.382%0.82283%0.826SS**PPolyproline II helixtrans-77.7128.2175.442.10000110.3R1023R1023-T1025 PolarHBondContact O-N 3.2Å
1026G27.1Very low26Very low77 Ų77153.5 Ų153.579%0.79483%0.827SS**PPolyproline II helixtrans-65.1135179.300000112.5S1028G1026-S1028 PolarHBondContact O-N 2.61Å
1027Q24.9Very low25.8Very low195 Ų195152.9 Ų152.991%0.91182%0.824SS**  trans-72.3114.9176.8-66.3175.3-17.900111
1028S26.2Very low25.9Very low109 Ų109149.9 Ų149.976%0.76282%0.818SS**  trans-104.5107.9162.353.50000109.6G1026 L1030G1026-S1028 PolarHBondContact O-N 2.61Å; S1028-L1030 PolarHBondContact O-N 3.39Å
1029K24.1Very low25.5Very low200 Ų200150.1 Ų150.187%0.8782%0.819SS**  trans-56124.9172.1-69171.3174.8176.40110.2
1030L25.6Very low25.7Very low171 Ų171149.9 Ų149.990%0.89582%0.817SS**  trans-123.4133.8161.4-92168.2000109.8S1028S1028-L1030 PolarHBondContact O-N 3.39Å
1031Y23.6Very low25.8Very low215 Ų215152.6 Ų152.684%0.84382%0.818SS**  trans-68.5143.8-165.6-98.3-104.5000113.4
1032S22.6Very low25.6Very low95 Ų95159 Ų15966%0.66482%0.824SS**  trans-51131.8163.152.30000112.8
1033Q26.9Very low25.7Very low189 Ų189157.8 Ų157.888%0.88382%0.824SS**  trans-142.9103.4147.4-153.378.8-3.200107.6
1034G22.3Very low25.8Very low69 Ų69151.4 Ų151.471%0.71182%0.815SS**  trans-80.4141.1178.500000111.9
1035V25.8Very low25.9Very low129 Ų129149.7 Ų149.778%0.78281%0.812SS**  trans-134.3115.5158.6178.30000107.2I1037V1035-I1037 HydrophobicContact CG1-CD1 4.5Å; V1035-I1037 HydrophobicContact CG1-CG1 4.27Å
1036I21.5Very low25.8Very low160 Ų160152.1 Ų152.182%0.82181%0.814SS**  trans-94125.8178.2-66.1168.5000107.3
1037I25.2Very low25.8Very low151 Ų151156 Ų15677%0.77482%0.816SS**  trans-132.2119.2165.1-57-179.4000108.1V1035V1035-I1037 HydrophobicContact CG1-CD1 4.5Å; V1035-I1037 HydrophobicContact CG1-CG1 4.27Å
1038P28.1Very low25.8Very low115 Ų115151.6 Ų151.675%0.74780%0.803SS**PPolyproline II helixtrans-89.6149.7-17034.1-33.1000114.1
1039N22.2Very low25.8Very low156 Ų156153.2 Ų153.283%0.83480%0.801SS**PPolyproline II helixtrans-97.9125-173.8-164.45.2000111.8
1040P32.4Very low25.8Very low117 Ų117152.8 Ų152.876%0.7680%0.8SS**PPolyproline II helixtrans-93.6151.5-179.826.7-15.4000114.2
1041R24.5Very low25.7Very low239 Ų239150 Ų15090%0.90280%0.795SS**PPolyproline II helixtrans-77.2147.7-168.1-71.4174171.5171-4.6115.3
1042Y25.5Very low25.8Very low228 Ų228147 Ų14789%0.89480%0.798SS**  trans-23.3135152.2-76-97.4000118
1043T28.8Very low25.9Very low139 Ų139145.1 Ų145.185%0.85380%0.795SS**  trans-137.1137.5147.152.70000109.8
1044S27.2Very low26Very low100 Ų100143.2 Ų143.270%0.69980%0.796SS**  trans-62.7151.6179.748.30000114.6
1045D28.5Very low26.1Very low155 Ų155146.6 Ų146.683%0.82980%0.803SS**  trans179.596.4130.9-84.3-15.6000109.6
1046H29Very low26.2Very low186 Ų186149.6 Ų149.686%0.86181%0.808SS**  trans-106.5103.1174.2-81.7-58000110.2
1047N27.2Very low26.3Very low158 Ų158149.9 Ų149.985%0.84581%0.811SS**  trans-105.994.7165.6-137.24.9000107.1
1048V25.4Very low26.4Very low103 Ų103147.9 Ų147.962%0.62481%0.808SS**  trans-99.698.8-1791800000108.7
1049I26.4Very low26.3Very low142 Ų142148.6 Ų148.673%0.72881%0.81SS**  trans-79.2117.8168.2-66.9173.9000107.8S1051I1049-S1051 PolarHBondContact O-N 3.25Å
1050F22.5Very low26.5Very low192 Ų192148.6 Ų148.684%0.84281%0.809SS**  trans-70.5117.1169.7-76.5-92.6000109.6
1051S24.1Very low26.1Very low113 Ų113147.6 Ų147.679%0.7981%0.805SS**  trans-116.5114.8159-82.90000108.6I1049 G1053I1049-S1051 PolarHBondContact O-N 3.25Å; S1051-G1053 PolarHBondContact O-N 3.16Å
1052T25.6Very low26.2Very low150 Ų150142.9 Ų142.992%0.9280%0.798SS**  trans-67.2115.9169.248.90000109.2
1053G25.5Very low26.2Very low57 Ų57142.4 Ų142.459%0.58880%0.801SS**  trans-161.790.4176.900000111.3S1051 T1055S1051-G1053 PolarHBondContact O-N 3.16Å; G1053-T1055 PolarHBondContact O-N 2.7Å; G1053-T1055 VanDerWaalsContact O-N 3.13Å
1054T28.7Very low26Very low149 Ų149145.2 Ų145.291%0.91480%0.804SS**  trans-46.3112.5159.827.10000110.2
1055T24.9Very low25.9Very low140 Ų140143.6 Ų143.686%0.85980%0.803SS**  trans-143.5138.9163.532.30000110.6G1053G1053-T1055 PolarHBondContact O-N 2.7Å; G1053-T1055 VanDerWaalsContact O-N 3.13Å
1056Q27.1Very low25.9Very low191 Ų191142.7 Ų142.789%0.89380%0.803SS**  trans-61.4145.2-164.3-70158.1-2500113.3
1057L23.9Very low25.7Very low167 Ų167141.3 Ų141.387%0.87480%0.802SS**  trans-48125.5170-91.1120.8000110.9T1059L1057-T1059 PolarHBondContact O-N 2.64Å
1058P27.2Very low25.5Very low109 Ų109144.9 Ų144.971%0.70881%0.805SS**  trans-75.9115.3179.221.9-16.2000109.7L1060P1058-L1060 PolarHBondContact O-N 2.87Å
1059T25.9Very low25.5Very low130 Ų130145 Ų14580%0.79881%0.81SS**  trans-6098.8161.145.60000109.4L1057 S1061L1057-T1059 PolarHBondContact O-N 2.64Å; T1059-S1061 PolarHBondContact O-N 3.49Å
1060L25.6Very low25.3Very low156 Ų156147.4 Ų147.482%0.81782%0.821SS**  trans-88.381.5166.9-79.1169.6000109.5P1058 N1062P1058-L1060 PolarHBondContact O-N 2.87Å; L1060-N1062 PolarHBondContact O-N 3.24Å
1061S24.2Very low25.3Very low96 Ų96149.9 Ų149.967%0.67183%0.825SS**  trans-66104.8152.453.10000108.3T1059T1059-S1061 PolarHBondContact O-N 3.49Å
1062N26.4Very low25.3Very low139 Ų139156.5 Ų156.574%0.74383%0.832SS**  trans-168.288.8157-95.1-19.1000108.4L1060L1060-N1062 PolarHBondContact O-N 3.24Å
1063F26.5Very low25.2Very low218 Ų218153.6 Ų153.696%0.95682%0.824SS**  trans-167.781.2141.3-97.9-68.6000107
1064H25.2Very low25.2Very low198 Ų198160.1 Ų160.192%0.91784%0.839SS**  trans-80130.5162.9-99.6-33.4000109.2
1065G25Very low25.3Very low67 Ų67160.8 Ų160.869%0.69184%0.837SS**  trans85.889.314300000116.8
1066V27Very low25.3Very low135 Ų135161.4 Ų161.482%0.81884%0.835SS**  trans-140104.7136.1-168.50000107.7Y1068V1066-Y1068 PolarHBondContact O-N 3.4Å
1067D24.9Very low25.8Very low157 Ų157157.6 Ų157.684%0.8483%0.827SS**  trans-58.4117176.5-88.7-43.4000111.4S1069D1067-S1069 VanDerWaalsContact C-N 3.34Å; D1067-S1069 PolarHBondContact O-N 2.84Å
1068Y23.9Very low26Very low233 Ų233154.9 Ų154.991%0.91482%0.822SS**  trans-71.386.5167-88.6-92.5000109.8V1066 M1070V1066-Y1068 PolarHBondContact O-N 3.4Å; Y1068-M1070 PolarHBondContact O-N 3.2Å
1069S25.1Very low26.2Very low105 Ų105159.7 Ų159.773%0.73483%0.831SS**  trans-84.9103.3161.640.60000109.2D1067 R1071D1067-S1069 VanDerWaalsContact C-N 3.34Å; D1067-S1069 PolarHBondContact O-N 2.84Å; S1069-R1071 PolarHBondContact O-N 3.18Å
1070M22Very low26.3Very low194 Ų194159.9 Ų159.996%0.95683%0.833SS**  trans-50.3103.5169.7-75.3-175-16800110.7Y1068Y1068-M1070 PolarHBondContact O-N 3.2Å
1071R23.6Very low26.5Very low244 Ų244158.5 Ų158.592%0.92183%0.831SS**  trans-107.198.5154.9-83.2-167.8-176.5-144.82.7109.3S1069 A1073S1069-R1071 PolarHBondContact O-N 3.18Å; R1071-A1073 PolarHBondContact O-N 2.59Å; R1071-A1073 VanDerWaalsContact O-N 3.14Å
1072R23.1Very low26.5Very low251 Ų251164.2 Ų164.295%0.94784%0.839SS**  trans-43.7105.6159.2-169-177.2-141.1-174.64.6109.8
1073A23.6Very low26.5Very low90 Ų90164.8 Ų164.874%0.74484%0.842SS**  trans-119.8134.8168.600000108.5R1071R1071-A1073 PolarHBondContact O-N 2.59Å; R1071-A1073 VanDerWaalsContact O-N 3.14Å
1074Q26Very low26.5Very low194 Ų194161.6 Ų161.691%0.90784%0.835SS**  trans-76.5136.4-157.9-69.3167-49.400112.5
1075N30.7Very low26.6Very low163 Ų163156.4 Ų156.487%0.87283%0.826SS**  trans-86.3134.6170.1-78.9-28.6000110
1076D24.2Very low26.7Very low152 Ų152159.3 Ų159.381%0.81383%0.831SS**  trans-109.7118.4-177.3-148.4-7.8000109.4
1077P37.1Very low26.6Very low112 Ų112159 Ų15973%0.72783%0.829SS**  trans-125.2131.3169.334-19000112.3
1078S29.8Very low26.7Very low109 Ų109157 Ų15776%0.76282%0.823SS**  trans-132.5127.8157.458.70000110.7
1079K30.3Very low26.7Very low210 Ų210157 Ų15791%0.91382%0.821SS**  trans-134.7113178-140.2-179.5-170.7178.80103.8
1080T29.3Very low26.7Very low135 Ų135157.7 Ų157.783%0.82882%0.821SS**  trans-113.8136.417628.40000111.2
1081T28.5Very low27Very low126 Ų126156 Ų15677%0.77382%0.815SS**PPolyproline II helixtrans-66.9134.3-176.6-50.20000112
1082Y24.1Very low27.1Very low216 Ų216149.8 Ų149.885%0.84781%0.808SS**PPolyproline II helixtrans-95116.5164.9-97.7-93.5000108.7
1083D26.1Very low27.5Very low152 Ų152141.2 Ų141.281%0.81380%0.798SS**PPolyproline II helixtrans-82.2117168.1-87.7-35.8000109.8A1085D1083-A1085 PolarHBondContact O-N 3.5Å
1084N27.9Very low27.9Very low150 Ų150143.7 Ų143.780%0.80280%0.804SS**  trans-83.394.3172.7-80.7-20.3000109.8V1086N1084-V1086 PolarHBondContact O-N 2.97Å
1085A26.6Very low27.7Very low89 Ų89143 Ų14374%0.73680%0.801SS**  trans-72.3106.9161.700000109.5D1083 T1087D1083-A1085 PolarHBondContact O-N 3.5Å; A1085-T1087 PolarHBondContact O-N 2.89Å
1086V27.3Very low27.6Very low129 Ų129142.3 Ų142.378%0.78280%0.797SS**  trans-63.2101.1173.6176.60000108.8N1084 T1088N1084-V1086 PolarHBondContact O-N 2.97Å; V1086-T1088 HydrophobicContact CG1-CG2 4.49Å; V1086-T1088 PolarHBondContact O-N 3.03Å
1087T25.2Very low28Very low127 Ų127142.7 Ų142.778%0.77980%0.799SS**  trans-86.599.1170.4-55.60000108.3A1085 R1089A1085-T1087 PolarHBondContact O-N 2.89Å; T1087-R1089 PolarHBondContact O-N 3.08Å
1088T26Very low27.5Very low115 Ų115145.9 Ų145.971%0.70681%0.809SS**  trans-62.4112.5168.134.60000109.4V1086 T1090V1086-T1088 HydrophobicContact CG1-CG2 4.49Å; V1086-T1088 PolarHBondContact O-N 3.03Å; T1088-T1090 PolarHBondContact O-N 3.25Å
1089R23.5Very low27.5Very low234 Ų234143.9 Ų143.988%0.88381%0.806SS**  trans-89.798171.5-130.5-175.4-134.9-158.24.5108.8T1087 I1091T1087-R1089 PolarHBondContact O-N 3.08Å; R1089-I1091 PolarHBondContact O-N 2.89Å
1090T25.4Very low27.3Very low120 Ų120141.6 Ų141.674%0.73680%0.803SS**  trans-62.7114.2169.6-35.30000108.8T1088T1088-T1090 PolarHBondContact O-N 3.25Å
1091I29.5Very low27.3Very low159 Ų159141.9 Ų141.982%0.81581%0.805SS**  trans-102.9101.2165.4-62.6177.3000106.3R1089 G1093R1089-I1091 PolarHBondContact O-N 2.89Å; I1091-G1093 PolarHBondContact O-N 3.03Å
1092S25.6Very low27.4Very low113 Ų113145 Ų14579%0.7981%0.811SS**  trans-68.8113173.6-38.40000109
1093G30.3Very low27.4Very low70 Ų70140.8 Ų140.872%0.72281%0.812SS**  trans-129.5123.616900000108I1091I1091-G1093 PolarHBondContact O-N 3.03Å
1094T31.7Very low27.6Very low143 Ų143139.9 Ų139.988%0.87781%0.812SS**  trans-62.1133.4-161.643.40000114.7
1095Q23Very low27.9Very low179 Ų179139.2 Ų139.284%0.83681%0.808SS**  trans-66.2126.8164.9173.1173.1-2.800109.7
1096D29.3Very low28.6Very low149 Ų149140 Ų14080%0.79781%0.809SS**  trans-160.9142.4149.3-84.9-33.2000109.9
1097D31.1Very low29.1Very low159 Ų159137.7 Ų137.785%0.8580%0.798SS**  trans76.586.1168.2-62.9-18.5000120.8G1099D1097-G1099 PolarHBondContact O-N 3.35Å
1098L26.5Very low29.9Very low180 Ų180138.7 Ų138.794%0.94279%0.794SS**  trans-60.1107.8148.8-73.9158.9000110.5
1099G29.9Very low30.6Very low67 Ų67142.4 Ų142.469%0.69180%0.795SS**  trans-117.7105.8164.100000110.3D1097 T1101D1097-G1099 PolarHBondContact O-N 3.35Å; G1099-T1101 PolarHBondContact O-N 2.94Å
1100N26.2Very low31.6Very low162 Ų162137.5 Ų137.587%0.86678%0.782SS**  trans-61.8121.9167.3-76.8-15.5000109.8
1101T30.5Very low32.5Very low140 Ų140136.8 Ų136.886%0.85977%0.774SS**  trans-139.8124.3155.344.60000110G1099G1099-T1101 PolarHBondContact O-N 2.94Å
1102E30Very low33.2Very low191 Ų191135.6 Ų135.689%0.89376%0.764SS**  trans-62.2160.2-177.6-74.5169.513700113.8T1104E1102-T1104 PolarHBondContact O-N 3.29Å
1103C23.1Very low34.1Very low129 Ų129139 Ų13987%0.87276%0.76SS**  trans-57.9120.1-177.8-158.40000112.7
1104T31Very low34.6Very low132 Ų132142 Ų14281%0.8175%0.753SS**  trans-134.3116158.352.30000110.9E1102E1102-T1104 PolarHBondContact O-N 3.29Å
1105D35Very low35.1Very low137 Ų137145.2 Ų145.273%0.73375%0.749SS**  trans68.9113.2145.2-134.8-13.6000120.4S1107D1105-S1107 VanDerWaalsContact C-N 3.28Å; D1105-S1107 PolarHBondContact O-N 3.2Å
1106S40Very low36.1Very low106 Ų106140.4 Ų140.474%0.74174%0.735SS**THydrogen-bonded Turntrans-83.312.5-169.2-68.50000114.7
1107S38.7Very low36.8Very low80 Ų80139.1 Ų139.156%0.55973%0.727SS**THydrogen-bonded Turntrans-80.5-19.7-177.6630000114.4D1105D1105-S1107 VanDerWaalsContact C-N 3.28Å; D1105-S1107 PolarHBondContact O-N 3.2Å
1108Q40.9Very low37.3Very low147 Ų147139.4 Ų139.469%0.68772%0.721SS**Hα-helixtrans-82.9-21.9178.5-82.5-166.8-46.100114.8E1110 N1111 E1112Q1108-E1110 PolarHBondContact O-N 3.43Å; Q1108-N1111 PolarHBondContact O-N 2.93Å; Q1108-E1112 PolarHBondContact O-N 3.16Å; Q1108-E1112 VanDerWaalsContact O-N 3.16Å
1109R41.8Very low38.2Very low194 Ų194132.9 Ų132.973%0.73270%0.697SS**Hα-helixtrans-68-23.2-178.4-104.8-178.7-177.3-177.43.5113.8R1113R1109-R1113 WeakPolarHBondContact O-CG 3.45Å; R1109-R1113 PolarHBondContact O-N 3.24Å
1110E43.1Very low38.7Very low131 Ų131134 Ų13461%0.61269%0.691SS**Hα-helixtrans-81.6-34.5178.8-166.3143.5-16900112.4Q1108 R1113 K1114Q1108-E1110 PolarHBondContact O-N 3.43Å; E1110-R1113 PolarHBondContact O-N 2.71Å; E1110-K1114 PolarHBondContact O-N 2.99Å
1111N44.3Very low39.1Very low105 Ų105131.9 Ų131.956%0.56168%0.679SS**Hα-helixtrans-75.4-31.9176.1-76.1-24000112.8Q1108 K1114 R1115Q1108-N1111 PolarHBondContact O-N 2.93Å; N1111-K1114 PolarHBondContact O-N 3.05Å; N1111-R1115 PolarHBondContact O-N 3.4Å
1112E46.2Very low39.4Very low133 Ų133128 Ų12862%0.62167%0.666SS**Hα-helixtrans-70.9-33.7170.8-76.4-173155.300112.7Q1108 K1114 R1115 S1116Q1108-E1112 PolarHBondContact O-N 3.16Å; Q1108-E1112 VanDerWaalsContact O-N 3.16Å; E1112-K1114 VanDerWaalsContact C-N 3.3Å; E1112-K1114 PolarHBondContact O-N 3.22Å; E1112-R1115 PolarHBondContact O-N 2.98Å; E1112-S1116 VanDerWaalsContact O-CB 3.24Å; E1112-S1116 WeakPolarHBondContact O-CB 3.19Å; E1112-S1116 PolarHBondContact O-N 3.24Å
1113R43.1Very low39.9Very low186 Ų186129.5 Ų129.570%0.70266%0.664SS**Hα-helixtrans-62.4-38.8170.9-81.4-176.5-170.4-140.22.6111.8R1109 E1110 I1117R1109-R1113 WeakPolarHBondContact O-CG 3.45Å; R1109-R1113 PolarHBondContact O-N 3.24Å; E1110-R1113 PolarHBondContact O-N 2.71Å; R1113-I1117 WeakPolarHBondContact O-CG1 3.48Å; R1113-I1117 PolarHBondContact O-N 3.43Å
1114K41.2Very low40.3Very low132 Ų132130.2 Ų130.257%0.57466%0.656SS**Hα-helixtrans-70.4-35.3176.3-69.3-179.8-177.61770112.8E1110 N1111 E1112E1110-K1114 PolarHBondContact O-N 2.99Å; N1111-K1114 PolarHBondContact O-N 3.05Å; E1112-K1114 VanDerWaalsContact C-N 3.3Å; E1112-K1114 PolarHBondContact O-N 3.22Å
1115R42.9Very low40.4Very low211 Ų211132.6 Ų132.680%0.79666%0.655SS**Hα-helixtrans-77.8-31.6175.4-79.2-176.5173.9-136.6-1.1114.2N1111 E1112 I1117 F1118 G1119N1111-R1115 PolarHBondContact O-N 3.4Å; E1112-R1115 PolarHBondContact O-N 2.98Å; R1115-I1117 VanDerWaalsContact C-N 3.32Å; R1115-I1117 PolarHBondContact O-N 3.28Å; R1115-F1118 PolarHBondContact O-N 3.24Å; R1115-G1119 PolarHBondContact O-N 3Å
1116S44.2Very low40.1Very low77 Ų77135 Ų13554%0.53866%0.659SS.*Hα-helixtrans-68.3-31178.2-172.70000112.5E1112 T1120E1112-S1116 VanDerWaalsContact O-CB 3.24Å; E1112-S1116 WeakPolarHBondContact O-CB 3.19Å; E1112-S1116 PolarHBondContact O-N 3.24Å; S1116-T1120 PolarHBondContact O-N 3.12Å; S1116-T1120 PolarHBondContact O-OG1 2.87Å
1117I43.1Very low39.6Very low123 Ų123142 Ų14263%0.63167%0.67SS**Hα-helixtrans-70.4-40176.4-66.4169000110.4R1113 R1115R1113-I1117 WeakPolarHBondContact O-CG1 3.48Å; R1113-I1117 PolarHBondContact O-N 3.43Å; R1115-I1117 VanDerWaalsContact C-N 3.32Å; R1115-I1117 PolarHBondContact O-N 3.28Å
1118F41.3Very low39.2Very low165 Ų165144.1 Ų144.172%0.72468%0.682SS**Hα-helixtrans-75.4-34.1176.4-90.8-83.1000114.1R1115 T1120 L1121 G1122R1115-F1118 PolarHBondContact O-N 3.24Å; F1118-T1120 VanDerWaalsContact C-N 3.28Å; F1118-T1120 PolarHBondContact O-N 3.45Å; F1118-L1121 PolarHBondContact O-N 2.92Å; F1118-G1122 PolarHBondContact O-N 3.01Å
1119G45Very low38.4Very low42 Ų42144.9 Ų144.943%0.43369%0.69SS.*Hα-helixtrans-66.4-28.117700000114R1115R1115-G1119 PolarHBondContact O-N 3Å
1120T40.3Very low38Very low92 Ų92141 Ų14156%0.56469%0.69SS**Hα-helixtrans-75.7-31.8178.4-50.30000111.5S1116 F1118S1116-T1120 PolarHBondContact O-N 3.12Å; S1116-T1120 PolarHBondContact O-OG1 2.87Å; F1118-T1120 VanDerWaalsContact C-N 3.28Å; F1118-T1120 PolarHBondContact O-N 3.45Å
1121L35.7Very low37.2Very low116 Ų116141.9 Ų141.961%0.60770%0.704SS**Hα-helixtrans-69.7-34.9173.6-126.285.5000112.3F1118 R1123 M1124F1118-L1121 PolarHBondContact O-N 2.92Å; L1121-R1123 PolarHBondContact O-N 3.13Å; L1121-M1124 PolarHBondContact O-N 3.34Å
1122G37.1Very low36.4Very low58 Ų58144.1 Ų144.160%0.59872%0.716SS**Hα-helixtrans-68.6-27.4-179.200000115F1118F1118-G1122 PolarHBondContact O-N 3.01Å
1123R40.7Very low35.5Very low223 Ų223144.4 Ų144.484%0.84273%0.727SS**Hα-helixtrans-83.7-11.9178.6-66.5-166.3-150.5-127.85.4114L1121 F1125L1121-R1123 PolarHBondContact O-N 3.13Å; R1123-F1125 VanDerWaalsContact C-N 3.3Å; R1123-F1125 PolarHBondContact O-N 3.26Å
1124M31.4Very low34.8Very low144 Ų144141 Ų14171%0.70973%0.727SS**THydrogen-bonded Turntrans-75.4-12.6179.3-86.3179.859.400114.5L1121L1121-M1124 PolarHBondContact O-N 3.34Å
1125F32.8Very low34.2Very low182 Ų182142 Ų14280%0.79874%0.738SS**THydrogen-bonded Turntrans-11727.3-176.6-72.2-76.1000115.5R1123R1123-F1125 VanDerWaalsContact C-N 3.3Å; R1123-F1125 PolarHBondContact O-N 3.26Å
1126K29.3Very low33.4Very low188 Ų188137 Ų13782%0.81774%0.736SS**  trans-116.8103.9167.2-113.2178.3178.1177.20111.6P1128K1126-P1128 WeakPolarHBondContact O-CD 3.2Å
1127R28.1Very low32.6Very low253 Ų253142 Ų14296%0.95575%0.751SS**PPolyproline II helixtrans-60125.2174.1-80-179.2173.7-169.5-1.5111.5
1128P30.6Very low31.9Very low125 Ų125142.6 Ų142.681%0.81276%0.755SS**PPolyproline II helixtrans-95.9143.4166.25.115.5000111.7K1126K1126-P1128 WeakPolarHBondContact O-CD 3.2Å
1129N24.3Very low31.2Very low162 Ų162142.7 Ų142.787%0.86676%0.758SS**PPolyproline II helixtrans-76.3151.3-175.4-123.3-6.3000113
1130P33.9Very low30.3Very low113 Ų113145.8 Ų145.873%0.73477%0.768SS**PPolyproline II helixtrans-100.8151.8-164.537.8-32.1000115
1131V25.5Very low29.5Very low150 Ų150149.7 Ų149.791%0.90978%0.78SS**  trans-138139.2170-171.30000111
1132N27.5Very low29.1Very low152 Ų152148.8 Ų148.881%0.81378%0.784SS**  trans-67.1164.5-174-77.3-32.4000116.8
1133V27.7Very low28.7Very low139 Ų139152.4 Ų152.484%0.84279%0.794SS**  166.2161.2122167.60000112
1134T28.1Very low28.1Very low114 Ų114149 Ų14970%0.69979%0.792SS**  trans-115.7166.5-146.549.10000117.7
1135N27.7Very low27.9Very low152 Ų152151.6 Ų151.681%0.81380%0.799SS**  trans91.9142.1136.8-83.7-1.5000126.7
1136S27.5Very low27.7Very low108 Ų108148.1 Ų148.176%0.75580%0.798SS**  trans86.4103.7141.359.80000125.7
1137Q27.2Very low27.6Very low180 Ų180145.9 Ų145.984%0.84180%0.799SS**  37.1150.9110.4-123.1149.7-33.900127.9
1138N27.9Very low27.5Very low137 Ų137137.9 Ų137.973%0.73379%0.787SS**  trans90.8152158.8-65.3-20.3000118.8
1139Q26Very low27.3Very low167 Ų167137.4 Ų137.478%0.7879%0.787SS**  cis179157.9-20.8-157.2-170.771.500108.6
1140V26.4Very low27.3Very low106 Ų106134.4 Ų134.464%0.64278%0.778SS**  trans92117151.1-162.80000126
1141E25Very low26.9Very low174 Ų174136.9 Ų136.981%0.81379%0.786SS**  trans26.4140.7135.4-57.4178.2138.500131
1142S26.6Very low26.9Very low98 Ų98139 Ų13969%0.68579%0.785SS**  102.5126.7126.573.20000125.2
1143T27.9Very low26.9Very low134 Ų134140.9 Ų140.982%0.82279%0.789SS**  trans126.9136.5134.4-41.60000119.2
1144L28.2Very low27Very low150 Ų150140.1 Ų140.179%0.78579%0.788SS**  trans-108.2163.7-163-78.1143.8000116.4
1145K28.8Very low27.3Very low200 Ų200140.8 Ų140.887%0.8779%0.794SS**  trans163122.1136.5-93171.6-179.6177.60110.6
1146S26.6Very low27.1Very low109 Ų109142 Ų14276%0.76280%0.799SS**  81.6120.875.51790000116.4
1147V29Very low26.9Very low141 Ų141148.1 Ų148.186%0.85581%0.806SS**  166.4144.3125.61620000111.6
1148A25.6Very low26.7Very low84 Ų84148.5 Ų148.569%0.69481%0.805SS**  trans-114.4160.7-177.100000113
1149S26.2Very low26.5Very low116 Ų116151 Ų15181%0.81181%0.812SS**  trans165129.2133.2-750000115.9
1150S25Very low26.4Very low98 Ų98148.1 Ų148.169%0.68581%0.81SS**  trans27.1136.1141.662.30000125.1
1151N25.3Very low26.2Very low166 Ų166151.3 Ų151.389%0.88882%0.824SS**  179.1156.4111.5-96.9-16.9000116.1
1152Q24Very low26.1Very low193 Ų193151.8 Ų151.890%0.90283%0.826SS**  trans-98.1163.4-167.8-74.9173.8-2500116.4
1153Q28.2Very low26Very low192 Ų192155.3 Ų155.390%0.89784%0.836SS**  trans-84.7164.1174.2-71.9172.4-45.200115.6
1154P30.5Very low25.8Very low124 Ų124155 Ų15581%0.80584%0.835SS**  trans-137.7169.2143.931.3-11.6000116
1155P33.7Very low25.6Very low128 Ų128156.6 Ų156.683%0.83184%0.837SS**  trans-113.6163.4-151.239.9-29.2000117.5
1156L24.3Very low25.6Very low176 Ų176153 Ų15392%0.92183%0.834SS**  trans-113.3148.2-176.2-73.3171.6000114.5
1157R22.8Very low25.5Very low237 Ų237153.5 Ų153.589%0.89484%0.838SS**  trans-110.7144.3-174.1-131.8-175.3-168.3174.83.3111.4
1158F22.9Very low25.1Very low189 Ų189152.7 Ų152.783%0.82984%0.837SS**  trans-88.8147.8-177.9-77.9-95.5000113.6
1159H23.5Very low25Very low188 Ų188158.3 Ų158.387%0.8785%0.849SS**  trans-134.2129.8159.8-82.4-77000111
1160S23.6Very low24.8Very low108 Ų108163.8 Ų163.876%0.75585%0.854SS**  trans-107.2140.7178-49.70000109.3
1161N23Very low24.6Very low172 Ų172167.1 Ų167.192%0.9286%0.859SS**  trans-130.2133.1165.8-91.7-16.3000110.7
1162Q23.5Very low24.5Very low184 Ų184165.6 Ų165.686%0.8686%0.855SS**  trans-89.5144.4179.4-65.5172.49.600110.5
1163L23Very low24.4Very low172 Ų172166 Ų16690%0.90185%0.85SS**  trans-140.6139.3161.5-89.2163.4000110.2
1164T25.4Very low24.3Very low129 Ų129164.2 Ų164.279%0.79185%0.846SS**PPolyproline II helixtrans-95144.4-160.9380000113.9
1165H23.6Very low24Very low182 Ų182166 Ų16684%0.84385%0.847SS**PPolyproline II helixtrans-83.5142.4175.6-74.1-93.3000113.3
1166P27.3Very low23.8Very low124 Ų124165.5 Ų165.581%0.80584%0.844SS**PPolyproline II helixtrans-97137.5162.934.2-25.5000111.9
1167S24.7Very low23.9Very low120 Ų120166.5 Ų166.584%0.83984%0.844SS**PPolyproline II helixtrans-93.3132.2-179.7-55.70000111.5
1168C21.4Very low24Very low124 Ų124160.5 Ų160.584%0.83884%0.838SS**  trans-134131.5164.4-80.30000111.2
1169Q22.5Very low24.1Very low203 Ų203157.6 Ų157.695%0.94984%0.836SS**PPolyproline II helixtrans-79.2139.3-177.1-74.8165.7-60.800112.1
1170Y22.3Very low24.2Very low231 Ų231154.5 Ų154.591%0.90684%0.835SS**PPolyproline II helixtrans-91.5126.5173.9-82.9-94.2000111.5
1171Q22Very low24.2Very low168 Ų168155.5 Ų155.579%0.78584%0.837SS**PPolyproline II helixtrans-93.2137.5168-87.2174.7-2700110.7
1172V21.7Very low24.3Very low133 Ų133155.6 Ų155.681%0.80683%0.831SS**PPolyproline II helixtrans-80.7124-179.2176.10000109.8
1173Y23.4Very low24.4Very low203 Ų203158.9 Ų158.980%0.79684%0.836SS**  trans-111125.6170.4-84.7-84.8000110.8
1174N25.7Very low24.6Very low154 Ų154156.1 Ų156.182%0.82483%0.831SS**PPolyproline II helixtrans-75.7136.1174.5-74.3-33.7000110.8
1175I24.8Very low24.7Very low160 Ų160156.7 Ų156.782%0.82183%0.829SS**PPolyproline II helixtrans-97134.5172.6-63.1173.2000109.1
1176P28Very low24.8Very low119 Ų119157.6 Ų157.677%0.77383%0.834SS**PPolyproline II helixtrans-88.8143.1-168.35.315.2000112.9
1177Q26.8Very low24.7Very low197 Ų197161.7 Ų161.792%0.92183%0.833SS**PPolyproline II helixtrans-75.6125176.3-69172.3-27.100111.5T1179Q1177-T1179 PolarHBondContact O-N 3.18Å
1178S24.7Very low24.9Very low110 Ų110162.9 Ų162.977%0.76983%0.83SS**  trans-85.9106.2175.5570000112.1
1179T26Very low25.1Very low129 Ų129168.5 Ų168.579%0.79183%0.834SS**  trans27.698.7138.958.40000119.1Q1177Q1177-T1179 PolarHBondContact O-N 3.18Å
1180S24.5Very low25.3Very low122 Ų122167.3 Ų167.385%0.85383%0.833SS**  trans-78.6120.8157.51600000110
1181V24.6Very low25.5Very low129 Ų129160.4 Ų160.478%0.78282%0.823SS**  trans-77124.2178.61740000111.1
1182H24.7Very low25.6Very low175 Ų175159.6 Ų159.681%0.8183%0.825SS**  trans9.6113.4156.4-81.9-83.6000119.5
1183R24.7Very low25.8Very low253 Ų253158.9 Ų158.996%0.95582%0.82SS**  trans-131.3136.6132.8-96.3-167.5-177.4-160.71.9109.8
1184S28.2Very low25.9Very low113 Ų113154.8 Ų154.879%0.7982%0.816SS**  trans-63145.7-156-38.20000116
1185D26.4Very low25.8Very low142 Ų142157.7 Ų157.776%0.75982%0.817SS**  trans-51.1125.5169.6-72-64000114.2
1186E27.1Very low25.9Very low201 Ų201154.8 Ų154.894%0.93981%0.811SS**  trans-129.374.3140.5-79.6-168.1156.100108.2
1187R25Very low25.9Very low210 Ų210154.1 Ų154.179%0.79281%0.809SS**  trans-96.8140.5163.4-99.7-179177.4158.10.1109.6
1188N28.6Very low25.9Very low145 Ų145153.1 Ų153.178%0.77580%0.804SS**  trans86.689.2160.5-57.5-23000117
1189R26.5Very low25.9Very low241 Ų241154.8 Ų154.891%0.90981%0.805SS**  -168.3108.9123.8-100.1162.7-166.2-155.35.6108
1190L26.1Very low25.9Very low179 Ų179154.6 Ų154.694%0.93781%0.808SS**  178.3133.6120.5-87.8163000108.3
1191A26.9Very low25.9Very low85 Ų85151.6 Ų151.670%0.70280%0.797SS**  trans-70.9149.7-156.100000114.2V1193A1191-V1193 PolarHBondContact O-N 2.94Å; A1191-V1193 VanDerWaalsContact O-N 3.1Å
1192N23.4Very low26.1Very low152 Ų152156 Ų15681%0.81381%0.806SS**  trans-27.1108.5152.6-81.2-18.8000112.6V1194N1192-V1194 HydrophobicContact CB-CG2 4.45Å
1193V26.8Very low26.2Very low117 Ų117152.7 Ų152.771%0.70980%0.803SS**  trans-102.289.1153-179.30000106.3A1191 Y1195A1191-V1193 PolarHBondContact O-N 2.94Å; A1191-V1193 VanDerWaalsContact O-N 3.1Å; V1193-Y1195 HydrophobicContact CG1-CD2 3.66Å; V1193-Y1195 HydrophobicContact CG1-CE2 3.73Å; V1193-Y1195 PolarHBondContact O-N 3.24Å
1194V23.9Very low26.2Very low117 Ų117147.2 Ų147.271%0.70979%0.792SS**  trans-73.8104.3164.71720000106.5N1192 S1196N1192-V1194 HydrophobicContact CB-CG2 4.45Å; V1194-S1196 PolarHBondContact O-N 2.88Å
1195Y25Very low26.1Very low215 Ų215150 Ų15084%0.84380%0.797SS**  trans-80.1102.5159.9-97.3-82.1000108.1V1193V1193-Y1195 HydrophobicContact CG1-CD2 3.66Å; V1193-Y1195 HydrophobicContact CG1-CE2 3.73Å; V1193-Y1195 PolarHBondContact O-N 3.24Å
1196S25.5Very low25.9Very low100 Ų100148.5 Ų148.570%0.69979%0.793SS**  trans-65.4137.6170.31760000110.8V1194V1194-S1196 PolarHBondContact O-N 2.88Å
1197S28.2Very low25.8Very low104 Ų104146.8 Ų146.873%0.72778%0.784SS**  trans-39.8142.6164.9-56.70000114.4
1198Q26.5Very low25.8Very low176 Ų176144.1 Ų144.182%0.82278%0.779SS**  trans-169.3109.4138.1-106.8159.88.100112.5
1199D25Very low25.6Very low146 Ų146145 Ų14578%0.78178%0.783SS**  66.4145.6128.1-68.2-26.5000124.3
1200S26.5Very low25.4Very low124 Ų124142.6 Ų142.687%0.86778%0.775SS**  trans78.7118.116974.60000115
1201G25Very low25.2Very low60 Ų60141.4 Ų141.462%0.61977%0.768SS**  cis128.686.922.100000107.9
1202F27.3Very low25.1Very low221 Ų221142.4 Ų142.497%0.96977%0.765SS**  trans-132.9100.2155.6-87-74.8000108.7
1203S27.2Very low25Very low105 Ų105144.4 Ų144.473%0.73476%0.763SS**  trans-74.2138.5178.2-55.80000111.7
1204N24.9Very low24.9Very low138 Ų138144.3 Ų144.374%0.73876%0.764SS**  trans44.5101.7139.9-64.5-22.3000118.9
1205I26.2Very low25Very low172 Ų172145.1 Ų145.188%0.88277%0.765SS**  trans-122.977.8138.2-59.7178.9000107.8
1206T23.5Very low25.1Very low111 Ų111142.5 Ų142.568%0.68177%0.765SS**  trans-80.7106.4150.323.30000107.1
1207H24.7Very low25.1Very low164 Ų164147 Ų14776%0.75977%0.773SS**  trans-168.4125.6146.5-98.5-65.5000110
1208F23.9Very low24.9Very low154 Ų154146.3 Ų146.368%0.67577%0.768SS**  trans7094.3164.2-79.9-93.8000119.1R1210F1208-R1210 HydrophobicContact CD1-CB 4.36Å
1209N24Very low24.9Very low163 Ų163146.5 Ų146.587%0.87277%0.769SS**  trans-127.587131.8-100.4-26.9000109
1210R22.9Very low24.8Very low192 Ų192149 Ų14973%0.72577%0.769SS**  trans-60.4127.1164.5172.3-176-72-145.7-1.7107.6F1208 V1212F1208-R1210 HydrophobicContact CD1-CB 4.36Å; R1210-V1212 PolarHBondContact O-N 3.41Å
1211L22.2Very low24.7Very low154 Ų154150.6 Ų150.681%0.80676%0.762SS**  trans-11.895.5160.3-71.7155.7000112.9Y1213L1211-Y1213 PolarHBondContact O-N 2.79Å; L1211-Y1213 VanDerWaalsContact O-N 3.11Å
1212V23.6Very low24.7Very low105 Ų105153.2 Ų153.264%0.63677%0.766SS**  trans-77.795.2169178.30000105.8R1210R1210-V1212 PolarHBondContact O-N 3.41Å
1213Y22.5Very low24.6Very low195 Ų195150.7 Ų150.777%0.76576%0.757SS**  trans-49.8143.1157.2-83.8-92000108.7L1211 N1215L1211-Y1213 PolarHBondContact O-N 2.79Å; L1211-Y1213 VanDerWaalsContact O-N 3.11Å; Y1213-N1215 PolarHBondContact O-N 3.36Å
1214P25.5Very low24.6Very low114 Ų114154.3 Ų154.374%0.7476%0.762SS**  trans-57.3112.6-167.324.1-32.4000109.2N1216P1214-N1216 PolarHBondContact O-N 3.35Å; P1214-N1216 VanDerWaalsContact O-N 3.14Å
1215N24.4Very low24.7Very low135 Ų135151.1 Ų151.172%0.72276%0.761SS**  trans-57.4121.1175.1-97.4-23.9000107.8Y1213 F1217Y1213-N1215 PolarHBondContact O-N 3.36Å; N1215-F1217 PolarHBondContact O-N 2.97Å
1216N26.8Very low24.9Very low159 Ų159148.6 Ų148.685%0.8575%0.754SS**  trans-39.9107.7161.4-72.5-31.2000108.2P1214 S1218P1214-N1216 PolarHBondContact O-N 3.35Å; P1214-N1216 VanDerWaalsContact O-N 3.14Å; N1216-S1218 VanDerWaalsContact C-N 3.31Å; N1216-S1218 PolarHBondContact O-N 2.93Å
1217F25.3Very low25Very low196 Ų196149 Ų14986%0.8676%0.761SS**  trans-58.3105.5165.1-105.1-93.8000106.1N1215 Q1219N1215-F1217 PolarHBondContact O-N 2.97Å; F1217-Q1219 PolarHBondContact O-N 3.03Å
1218S25.4Very low25.2Very low89 Ų89151.1 Ų151.162%0.62276%0.763SS**  trans-51.4110.4169.442.90000107.8N1216 Y1220N1216-S1218 VanDerWaalsContact C-N 3.31Å; N1216-S1218 PolarHBondContact O-N 2.93Å; S1218-Y1220 PolarHBondContact O-N 3.17Å
1219Q25.5Very low25.2Very low179 Ų179154.8 Ų154.884%0.83677%0.774SS**  trans-28.890.9165-164.3168.35.100111.4F1217 H1221F1217-Q1219 PolarHBondContact O-N 3.03Å; Q1219-H1221 VanDerWaalsContact C-N 3.32Å; Q1219-H1221 PolarHBondContact O-N 2.83Å
1220Y23.5Very low25.3Very low200 Ų200152.5 Ų152.578%0.78477%0.771SS**  trans-66.8103.8158-83.1-82.9000105.6S1218 V1222S1218-Y1220 PolarHBondContact O-N 3.17Å; Y1220-V1222 PolarHBondContact O-N 2.9Å
1221H24.7Very low25.6Very low157 Ų157148.9 Ų148.973%0.72777%0.772SS**  trans-66.479.9173.7-171.832.2000108.5Q1219Q1219-H1221 VanDerWaalsContact C-N 3.32Å; Q1219-H1221 PolarHBondContact O-N 2.83Å
1222V24.6Very low25.8Very low114 Ų114152 Ų15269%0.69177%0.773SS**  trans-84.8116.5158.6-179.20000104.7Y1220 E1224Y1220-V1222 PolarHBondContact O-N 2.9Å; V1222-E1224 VanDerWaalsContact C-N 3.27Å; V1222-E1224 PolarHBondContact O-N 3.36Å
1223Q25.1Very low25.9Very low169 Ų169151.3 Ų151.379%0.7977%0.771SS**  trans-58.991.2173.5-87.7168.4-34.300108.9G1225Q1223-G1225 PolarHBondContact O-N 3.14Å; Q1223-G1225 VanDerWaalsContact O-N 3.08Å
1224E26.7Very low26.2Very low181 Ų181148 Ų14885%0.84677%0.774SS**  trans-68.4102.2163.2-80.5-176.9164.400107.5V1222 T1226V1222-E1224 VanDerWaalsContact C-N 3.27Å; V1222-E1224 PolarHBondContact O-N 3.36Å; E1224-T1226 PolarHBondContact O-N 3Å; E1224-T1226 VanDerWaalsContact O-N 3.15Å
1225G28.3Very low26.3Very low70 Ų70146.8 Ų146.872%0.72277%0.767SS**  trans-51.8118.7165.300000108.9Q1223 S1227Q1223-G1225 PolarHBondContact O-N 3.14Å; Q1223-G1225 VanDerWaalsContact O-N 3.08Å; G1225-S1227 PolarHBondContact O-N 3.27Å
1226T29.2Very low26.3Very low119 Ų119148.6 Ų148.673%0.7377%0.771SS**  trans-6393177.749.30000109.7E1224 R1228E1224-T1226 PolarHBondContact O-N 3Å; E1224-T1226 VanDerWaalsContact O-N 3.15Å; T1226-R1228 PolarHBondContact O-N 2.95Å
1227S26.8Very low26.2Very low119 Ų119149.4 Ų149.483%0.83277%0.77SS**  trans-71.384.3163.5-1790000108.2G1225 Y1229G1225-S1227 PolarHBondContact O-N 3.27Å; S1227-Y1229 PolarHBondContact O-N 3.34Å
1228R27.7Very low26.3Very low210 Ų210145.5 Ų145.579%0.79277%0.767SS**  trans-67.6103.3168.6-64.6-178.8-171.9-172.33.1107.9T1226T1226-R1228 PolarHBondContact O-N 2.95Å
1229Y25.3Very low26.4Very low230 Ų230151.4 Ų151.490%0.90278%0.777SS**  trans-168.897.9150.7-97.6-71.1000109.2S1227S1227-Y1229 PolarHBondContact O-N 3.34Å
1230S25.2Very low26.5Very low115 Ų115150.7 Ų150.780%0.80477%0.771SS**  trans-151109.4150.3-168.90000107.7R1232S1230-R1232 PolarHBondContact O-N 3.27Å
1231P29Very low26.7Very low117 Ų117144.8 Ų144.876%0.7677%0.772SS**PPolyproline II helixtrans-75.1120.2-172.628-29.4000110P1233P1231-P1233 WeakPolarHBondContact O-CD 3.47Å
1232R26.9Very low27Very low218 Ų218145.9 Ų145.982%0.82377%0.774SS**PPolyproline II helixtrans-70.2117.6172.1-174.6179.1-177.2-151.8-0.7108.7S1230S1230-R1232 PolarHBondContact O-N 3.27Å
1233P26.3Very low27Very low91 Ų91145.1 Ų145.159%0.59178%0.78SS**PPolyproline II helixtrans-71.1147.9173.928.9-30.6000109.9P1231 S1235P1231-P1233 WeakPolarHBondContact O-CD 3.47Å; P1233-S1235 PolarHBondContact O-N 2.91Å; P1233-S1235 VanDerWaalsContact O-N 3.07Å
1234P27.7Very low27.1Very low127 Ų127147 Ų14783%0.82579%0.785SS**  trans-78101.9-168.816.5-5.2000110.3
1235S28.1Very low27Very low87 Ų87143.6 Ų143.661%0.60878%0.782SS**  trans-87.4107.2162.760.10000108.5P1233P1233-S1235 PolarHBondContact O-N 2.91Å; P1233-S1235 VanDerWaalsContact O-N 3.07Å
1236H24.5Very low26.9Very low174 Ų174143.4 Ų143.481%0.80678%0.78SS**  trans-51.7144.3162.3-83.7-105.1000110
1237H25.1Very low26.8Very low175 Ų175146.1 Ų146.181%0.8179%0.788SS**  trans86.791178.2-60.4-37.8000117.8
1238S25.7Very low26.6Very low115 Ų115150.5 Ų150.580%0.80479%0.788SS**  trans-142.8108.5141-177.30000109.4
1239Y27.9Very low26.4Very low212 Ų212145.7 Ų145.783%0.83179%0.786SS**  trans-89.4114165-100.6-91.2000109
1240F27.5Very low26.4Very low164 Ų164139.1 Ų139.172%0.71978%0.779SS**  trans45.2102.5148.1-83.9-88000120.8K1242F1240-K1242 HydrophobicContact CD1-CG 3.88Å; F1240-K1242 HydrophobicContact CE1-CG 4.21Å
1241G28.2Very low26.3Very low77 Ų77141.7 Ų141.779%0.79478%0.784SS**  trans-132.7100.1143.300000108.7A1243G1241-A1243 PolarHBondContact O-N 3.31Å
1242K30.5Very low26.2Very low179 Ų179142.5 Ų142.578%0.77879%0.787SS**  trans-57.4130.6-169.4-68.6178.2175.8176.60112.9F1240 K1244F1240-K1242 HydrophobicContact CD1-CG 3.88Å; F1240-K1242 HydrophobicContact CE1-CG 4.21Å; K1242-K1244 PolarHBondContact O-N 2.69Å
1243A24.8Very low26.1Very low98 Ų98137.3 Ų137.381%0.8178%0.784SS**  trans-65.6122.4171.500000110.6G1241 S1245G1241-A1243 PolarHBondContact O-N 3.31Å; A1243-S1245 PolarHBondContact O-N 3.21Å
1244K27Very low26Very low208 Ų208137 Ų13790%0.90479%0.788SS**  trans-89.495.7164.7-76.8-176.8174.7-176.40107.9K1242K1242-K1244 PolarHBondContact O-N 2.69Å
1245S25.8Very low25.9Very low111 Ų111138 Ų13878%0.77679%0.787SS**  trans-64136.3158.749.80000108.7A1243A1243-S1245 PolarHBondContact O-N 3.21Å
1246G25.8Very low25.7Very low65 Ų65141.6 Ų141.667%0.6779%0.794SS**  trans-61.7156.917900000112.9
1247I27.7Very low25.9Very low176 Ų176142.9 Ų142.990%0.90380%0.801SS**  -170144.1128.7-87.8148.1000106.7
1248Y22.4Very low25.8Very low211 Ų211142.6 Ų142.683%0.82780%0.8SS**  trans-58.6153.5-174.1-84.9-103.2000115.8
1249S22.8Very low26Very low109 Ų109142.6 Ų142.676%0.76280%0.799SS**  trans84.9123.9141.4-69.20000121.8
1250A26Very low25.8Very low92 Ų92136.9 Ų136.976%0.7680%0.797SS**  trans78.797.8138.300000118.9
1251D22.3Very low25.9Very low170 Ų170137.4 Ų137.491%0.90981%0.805SS**  trans-54.4124.5156.5-60.8-58.3000112
1252V27.9Very low25.6Very low134 Ų134141.9 Ų141.981%0.81281%0.805SS**  trans-138105.3155.6179.30000109.7
1253S23.9Very low25.4Very low109 Ų109141.9 Ų141.976%0.76281%0.808SS**  trans21.7117.8142.1-65.80000121.7
1254A25Very low25.3Very low83 Ų83142.4 Ų142.469%0.68681%0.806SS**  72.6142.8109.100000122.3
1255N25.3Very low25.1Very low148 Ų148137.6 Ų137.679%0.79181%0.805SS**  trans92.498.4161.5-56-17.8000115.3
1256Q24.6Very low25.1Very low163 Ų163139 Ų13976%0.76281%0.808SS**  73.6105.471.1-170.1176.664.300112.2
1257E27.8Very low24.9Very low202 Ų202140.2 Ų140.294%0.94481%0.806SS**  trans-153139.8149.7-113.5171.2-162.400111.1
1258Q24Very low24.8Very low169 Ų169140.2 Ų140.279%0.7980%0.802SS**  trans-100.5155.7-163.5-68.5165.7-28.100112.5
1259S28.1Very low24.9Very low114 Ų114137 Ų13780%0.79781%0.805SS**  trans155.9100.9135.746.40000110.1
1260A24.5Very low25Very low93 Ų93140.4 Ų140.477%0.76981%0.811SS**  69.8112.981.100000115
1261I29.5Very low25.1Very low174 Ų174144.2 Ų144.289%0.89282%0.818SS**  -169.9131.4118.6-86.6151.4000111.9
1262Q22Very low25.3Very low171 Ų171140.6 Ų140.680%0.79981%0.812SS**  trans-52.1146.3176.3-12994.1700118.2
1263Q25.4Very low25.1Very low180 Ų180143.3 Ų143.384%0.84182%0.816SS**  166.2100.2121-91.3177.816.900109.8
1264S22.7Very low25.4Very low109 Ų109142.5 Ų142.576%0.76282%0.816SS**  80.886.889.469.90000115.8
1265A24.5Very low25.7Very low107 Ų107143.5 Ų143.588%0.88483%0.825SS**  trans-148140.9145.200000108.5
1266V24.4Very low25.9Very low139 Ų139144.4 Ų144.484%0.84283%0.829SS**  trans-103.1123.2-154.2176.60000110.6
1267S22.8Very low26.2Very low91 Ų91139.4 Ų139.464%0.63682%0.821SS**  161.6137.6127.3-70.30000113.1
1268H25.5Very low27Very low177 Ų177135.5 Ų135.582%0.81981%0.813SS**  trans78.873161.7-54.1-49.3000119.4M1270H1268-M1270 PolarHBondContact O-N 3.46Å
1269T24.7Very low27.7Very low144 Ų144137.2 Ų137.288%0.88382%0.818SS**  trans-76.7103.5147.735.50000110
1270M24Very low28.4Very low179 Ų179138.7 Ų138.788%0.88281%0.812SS**  trans-73.4125155.1-79.7-127.5163.600108.9H1268 A1272H1268-M1270 PolarHBondContact O-N 3.46Å; M1270-A1272 PolarHBondContact O-N 2.88Å
1271N28.1Very low29.9Very low172 Ų172137.7 Ų137.792%0.9280%0.797SS**  trans-58.693.9166.3-89.4-16.5000109.8
1272A26.6Very low31.1Very low95 Ų95135.2 Ų135.279%0.78578%0.784SS**  trans-104.280.7166.300000108.8M1270M1270-A1272 PolarHBondContact O-N 2.88Å
1273Q24.8Very low33.1Very low190 Ų190132.9 Ų132.989%0.88877%0.774SS**  trans-129.5109.4162.5-82.7-174.3-12.300110.2
1274A29.9Very low35.3Very low93 Ų93127.6 Ų127.677%0.76975%0.751SS**  trans61.569.9144.400000117.9
1275A31.1Very low37.6Very low104 Ų104127.9 Ų127.986%0.8674%0.735SS**  trans-98.372.4145.300000108.9G1277A1275-G1277 PolarHBondContact O-N 3.44Å
1276L28.2Very low40Very low167 Ų167126.8 Ų126.887%0.87471%0.712SS**  trans-6879.3161.3-80.4159000107.6
1277G32.3Very low42.5Very low58 Ų58125.7 Ų125.760%0.59870%0.696SS**  trans-60.9139.9168.900000109.6A1275 K1279A1275-G1277 PolarHBondContact O-N 3.44Å; G1277-K1279 PolarHBondContact O-N 3.4Å
1278P43.3Very low45.2Very low120 Ų120124.1 Ų124.178%0.77969%0.685SS**  trans-64.8135.7-166.828.2-33000109.5Q1280P1278-Q1280 PolarHBondContact O-N 2.9Å
1279K39.7Very low47.9Very low205 Ų205116.7 Ų116.789%0.89165%0.65SS**  trans-50.298.8174.2-69.5177.6177.5176.40108.8G1277 T1281G1277-K1279 PolarHBondContact O-N 3.4Å; K1279-T1281 PolarHBondContact O-N 3.34Å; K1279-T1281 VanDerWaalsContact O-N 3.13Å
1280Q43.3Very low50.6Low144 Ų144115.2 Ų115.267%0.67363%0.632SS**  trans-56.1121.8167.1-80.9-178.4-8.100106.6P1278 D1284P1278-Q1280 PolarHBondContact O-N 2.9Å; Q1280-D1284 HydrophobicContact CB-CB 4.34Å
1281T55.9Low53.4Low73 Ų73111 Ų11145%0.44861%0.613SS.*  trans-62.6154.1176.260.20000109K1279 E1283 D1284 R1285K1279-T1281 PolarHBondContact O-N 3.34Å; K1279-T1281 VanDerWaalsContact O-N 3.13Å; T1281-E1283 PolarHBondContact O-N 3.01Å; T1281-E1283 VanDerWaalsContact O-N 3.08Å; T1281-D1284 PolarHBondContact N-OD2 3.16Å; T1281-D1284 VanDerWaalsContact N-OD2 3.14Å; T1281-D1284 PolarHBondContact O-N 3.48Å; T1281-D1284 PolarHBondContact OG1-N 3.35Å; T1281-D1284 PolarHBondContact OG1-OD2 3.05Å; T1281-R1285 PolarHBondContact O-N 3.5Å
1282L55.1Low56Low121 Ų121106.5 Ų106.563%0.63459%0.588SS**Hα-helixtrans-51.3-34.6176.5-171.786.4000111.2Q1286L1282-Q1286 PolarHBondContact O-N 3.24Å; L1282-Q1286 VanDerWaalsContact O-N 3.13Å
1283E63.2Low58.7Low123 Ų123102 Ų10258%0.57555%0.551SS**Hα-helixtrans-65.3-44.2174.8-66.8-171.3-17600113.3T1281 R1285 Q1286 K1287T1281-E1283 PolarHBondContact O-N 3.01Å; T1281-E1283 VanDerWaalsContact O-N 3.08Å; E1283-R1285 VanDerWaalsContact C-N 3.26Å; E1283-R1285 PolarHBondContact O-N 2.92Å; E1283-Q1286 PolarHBondContact O-N 3.42Å; E1283-K1287 WeakPolarHBondContact O-CG 3.4Å; E1283-K1287 PolarHBondContact O-N 2.9Å; E1283-K1287 IonicContact OE2-NZ 3.25Å
1284D71Confident61.4Low69 Ų6994.9 Ų94.937%0.36952%0.517SS..Hα-helixtrans-62.2-37.9178.5-62.3-37.6000111.1Q1280 T1281 K1287 S1288Q1280-D1284 HydrophobicContact CB-CB 4.34Å; T1281-D1284 PolarHBondContact N-OD2 3.16Å; T1281-D1284 VanDerWaalsContact N-OD2 3.14Å; T1281-D1284 PolarHBondContact O-N 3.48Å; T1281-D1284 PolarHBondContact OG1-N 3.35Å; T1281-D1284 PolarHBondContact OG1-OD2 3.05Å; D1284-K1287 PolarHBondContact O-N 3.46Å; D1284-S1288 WeakPolarHBondContact O-CB 3.42Å; D1284-S1288 PolarHBondContact O-N 2.93Å
1285R72.1Confident63.9Low114 Ų11494.2 Ų94.243%0.4350%0.501SS..Hα-helixtrans-66-41.3175.1-165.2174.173.8110.3-10.7112T1281 E1283 S1288 Q1289T1281-R1285 PolarHBondContact O-N 3.5Å; E1283-R1285 VanDerWaalsContact C-N 3.26Å; E1283-R1285 PolarHBondContact O-N 2.92Å; R1285-S1288 PolarHBondContact O-N 3.4Å; R1285-Q1289 WeakPolarHBondContact O-CG 3.09Å; R1285-Q1289 PolarHBondContact O-N 2.64Å
1286Q73.3Confident66.3Low84 Ų8489.5 Ų89.539%0.39346%0.462SS..Hα-helixtrans-65.9-40.7174.9-77.6-180-15.500112.2L1282 E1283 Q1289 K1290L1282-Q1286 PolarHBondContact O-N 3.24Å; L1282-Q1286 VanDerWaalsContact O-N 3.13Å; E1283-Q1286 PolarHBondContact O-N 3.42Å; Q1286-Q1289 PolarHBondContact O-N 2.99Å; Q1286-K1290 WeakPolarHBondContact O-CB 3.21Å; Q1286-K1290 PolarHBondContact O-N 2.95Å
1287K77.9Confident68.6Low116 Ų11681.9 Ų81.950%0.50442%0.422SS..Hα-helixtrans-61.7-44174.6-73.1170.9-171.3160.20111.2E1283 D1284 K1290 L1291E1283-K1287 WeakPolarHBondContact O-CG 3.4Å; E1283-K1287 PolarHBondContact O-N 2.9Å; E1283-K1287 IonicContact OE2-NZ 3.25Å; D1284-K1287 PolarHBondContact O-N 3.46Å; K1287-K1290 PolarHBondContact O-N 3.15Å; K1287-L1291 VanDerWaalsContact O-CG 3.3Å; K1287-L1291 WeakPolarHBondContact O-CG 3.48Å; K1287-L1291 PolarHBondContact O-N 3.45Å
1288S79.6Confident70.7Confident58 Ų5883.4 Ų83.441%0.40641%0.41SS..Hα-helixtrans-61.5-44.8175.6-1740000112.2D1284 R1285 K1290 L1291 L1292D1284-S1288 WeakPolarHBondContact O-CB 3.42Å; D1284-S1288 PolarHBondContact O-N 2.93Å; R1285-S1288 PolarHBondContact O-N 3.4Å; S1288-K1290 VanDerWaalsContact C-N 3.34Å; S1288-K1290 PolarHBondContact O-N 3.49Å; S1288-L1291 PolarHBondContact O-N 3.28Å; S1288-L1292 WeakPolarHBondContact O-CG 3.37Å; S1288-L1292 PolarHBondContact O-N 3.4Å
1289Q82.2Confident72.4Confident21 Ų2180.9 Ų80.910%0.09840%0.395CS..Hα-helixtrans-61.6-40.2174.5-73.6-177.4-22.600112.6R1285 Q1286 L1293 S1313 L1317R1285-Q1289 WeakPolarHBondContact O-CG 3.09Å; R1285-Q1289 PolarHBondContact O-N 2.64Å; Q1286-Q1289 PolarHBondContact O-N 2.99Å; Q1289-L1293 PolarHBondContact O-N 3.03Å; Q1289-S1313 WeakPolarHBondContact O-CB 3.43Å; Q1289-L1317 HydrophobicContact CB-CD1 3.83Å
1290K81.7Confident74.4Confident114 Ų11473.7 Ų73.750%0.49637%0.366SS..Hα-helixtrans-64.9-43.7176-170.6-178.8-179.2-172.90111.5Q1286 K1287 S1288 L1293 E1294 L1317Q1286-K1290 WeakPolarHBondContact O-CB 3.21Å; Q1286-K1290 PolarHBondContact O-N 2.95Å; K1287-K1290 PolarHBondContact O-N 3.15Å; S1288-K1290 VanDerWaalsContact C-N 3.34Å; S1288-K1290 PolarHBondContact O-N 3.49Å; K1290-L1293 PolarHBondContact O-N 3.38Å; K1290-E1294 WeakPolarHBondContact CE-OE1 3.23Å; K1290-E1294 WeakPolarHBondContact O-CG 3.35Å; K1290-E1294 PolarHBondContact O-N 3Å; K1290-L1317 HydrophobicContact CB-CD1 4.05Å
1291L81.8Confident76.2Confident91 Ų9169.8 Ų69.848%0.47635%0.35SS..Hα-helixtrans-62.5-45.3176.7-72.8169.1000111.6K1287 S1288 L1293 E1294 D1295K1287-L1291 VanDerWaalsContact O-CG 3.3Å; K1287-L1291 WeakPolarHBondContact O-CG 3.48Å; K1287-L1291 PolarHBondContact O-N 3.45Å; S1288-L1291 PolarHBondContact O-N 3.28Å; L1291-L1293 VanDerWaalsContact C-N 3.27Å; L1291-L1293 PolarHBondContact O-N 2.88Å; L1291-E1294 PolarHBondContact O-N 3.48Å; L1291-D1295 VanDerWaalsContact O-CB 3.3Å; L1291-D1295 WeakPolarHBondContact O-CB 3.41Å; L1291-D1295 PolarHBondContact O-N 2.95Å
1292L83.4Confident77.6Confident77 Ų7768.7 Ų68.740%0.40334%0.344SS..Hα-helixtrans-55.5-42.7176-76.2169000112.3S1288 A1296S1288-L1292 WeakPolarHBondContact O-CG 3.37Å; S1288-L1292 PolarHBondContact O-N 3.4Å; L1292-A1296 WeakPolarHBondContact O-CB 3.46Å; L1292-A1296 PolarHBondContact O-N 3.46Å; L1292-A1296 VanDerWaalsContact O-N 3.08Å
1293L83.8Confident79.3Confident1 Ų163 Ų631%0.00531%0.314CS..Hα-helixtrans-72-42.6179.4-174.757.3000112.3Q1289 K1290 L1291 D1295 A1296 I1297 W1306 I1310 W1314 W1318Q1289-L1293 PolarHBondContact O-N 3.03Å; K1290-L1293 PolarHBondContact O-N 3.38Å; L1291-L1293 VanDerWaalsContact C-N 3.27Å; L1291-L1293 PolarHBondContact O-N 2.88Å; L1293-D1295 VanDerWaalsContact C-N 3.32Å; L1293-D1295 PolarHBondContact O-N 3Å; L1293-A1296 PolarHBondContact O-N 3.19Å; L1293-I1297 HydrophobicContact CD1-CD1 4.48Å; L1293-I1297 HydrophobicContact CG-CD1 4.48Å; L1293-I1297 WeakPolarHBondContact O-CG1 3.38Å; L1293-I1297 PolarHBondContact O-N 3.49Å; L1293-W1306 HydrophobicContact CD1-CH2 3.78Å; L1293-W1306 HydrophobicContact CD1-CZ3 3.72Å; L1293-I1310 HydrophobicContact CD1-CG2 4.12Å; L1293-W1314 HydrophobicContact CD1-CB 3.77Å; L1293-W1314 HydrophobicContact CD1-CG 4.45Å; L1293-W1314 HydrophobicContact CD2-CB 4.13Å; L1293-W1318 HydrophobicContact CD2-CD2 3.54Å; L1293-W1318 VanDerWaalsContact CD2-CE2 3.41Å; L1293-W1318 HydrophobicContact CD2-CE3 4.24Å; L1293-W1318 HydrophobicContact CD2-CG 3.68Å; L1293-W1318 HydrophobicContact CD2-CZ2 4.06Å; L1293-W1318 HydrophobicContact CG-CD2 4.39Å; L1293-W1318 HydrophobicContact CG-CZ2 4.25Å
1294E81.3Confident80.5Confident40 Ų4060.3 Ų60.319%0.18731%0.306CS..Hα-helixtrans-62.3-39.6174.2-75.1-176-159.400111.8K1290 L1291 I1297 R1298 L1396K1290-E1294 WeakPolarHBondContact CE-OE1 3.23Å; K1290-E1294 WeakPolarHBondContact O-CG 3.35Å; K1290-E1294 PolarHBondContact O-N 3Å; L1291-E1294 PolarHBondContact O-N 3.48Å; E1294-I1297 PolarHBondContact O-N 3.31Å; E1294-R1298 WeakPolarHBondContact O-CB 3.47Å; E1294-R1298 WeakPolarHBondContact O-CG 3.5Å; E1294-R1298 PolarHBondContact O-N 2.91Å; E1294-R1298 IonicContact OE2-CZ 2.82Å; E1294-R1298 IonicContact OE2-NH2 3.43Å; E1294-R1298 PolarHBondContact OE2-NH2 3.32Å; E1294-L1396 HydrophobicContact CG-CD1 4.48Å
1295D80.9Confident81.3Confident79 Ų7959.8 Ų59.842%0.42231%0.308SS..Hα-helixtrans-69-37.3179.4-71.8-20000111.9L1291 L1293 I1297 R1298 S1299L1291-D1295 VanDerWaalsContact O-CB 3.3Å; L1291-D1295 WeakPolarHBondContact O-CB 3.41Å; L1291-D1295 PolarHBondContact O-N 2.95Å; L1293-D1295 VanDerWaalsContact C-N 3.32Å; L1293-D1295 PolarHBondContact O-N 3Å; D1295-I1297 VanDerWaalsContact C-N 3.33Å; D1295-I1297 PolarHBondContact O-N 2.96Å; D1295-R1298 PolarHBondContact O-N 3.12Å; D1295-R1298 IonicContact OD1-NH1 2.66Å; D1295-S1299 WeakPolarHBondContact O-CB 3.42Å; D1295-S1299 PolarHBondContact O-N 3.17Å; D1295-S1299 PolarHBondContact O-OG 2.86Å
1296A81.4Confident82.3Confident5 Ų554.3 Ų54.34%0.04129%0.287CS..Hα-helixtrans-61.7-40.1172.700000112.3L1292 L1293 S1299 L1301 I1310L1292-A1296 WeakPolarHBondContact O-CB 3.46Å; L1292-A1296 PolarHBondContact O-N 3.46Å; L1292-A1296 VanDerWaalsContact O-N 3.08Å; L1293-A1296 PolarHBondContact O-N 3.19Å; A1296-S1299 WeakPolarHBondContact CA-OG 3.28Å; A1296-S1299 PolarHBondContact O-OG 2.96Å; A1296-L1301 PolarHBondContact O-N 2.87Å; A1296-I1310 HydrophobicContact CB-CD1 3.97Å; A1296-I1310 HydrophobicContact CB-CG1 4.47Å; A1296-I1310 HydrophobicContact CB-CG2 3.76Å
1297I78.1Confident83.1Confident7 Ų752.9 Ų52.94%0.03629%0.287CS..Hα-helixtrans-75-40177.8-66.7170.3000111L1293 E1294 D1295 S1299 N1300 W1306 W1318 F1372 L1376 L1396L1293-I1297 HydrophobicContact CD1-CD1 4.48Å; L1293-I1297 HydrophobicContact CG-CD1 4.48Å; L1293-I1297 WeakPolarHBondContact O-CG1 3.38Å; L1293-I1297 PolarHBondContact O-N 3.49Å; E1294-I1297 PolarHBondContact O-N 3.31Å; D1295-I1297 VanDerWaalsContact C-N 3.33Å; D1295-I1297 PolarHBondContact O-N 2.96Å; I1297-S1299 PolarHBondContact O-N 2.9Å; I1297-N1300 PolarHBondContact O-N 3.15Å; I1297-N1300 PolarHBondContact O-OD1 3.13Å; I1297-W1306 HydrophobicContact CD1-CH2 4.42Å; I1297-W1306 HydrophobicContact CG1-CH2 4.22Å; I1297-W1306 HydrophobicContact CG1-CZ2 3.95Å; I1297-W1318 HydrophobicContact CD1-CE3 4.43Å; I1297-W1318 HydrophobicContact CD1-CH2 3.06Å; I1297-W1318 HydrophobicContact CD1-CZ2 3.97Å; I1297-W1318 HydrophobicContact CD1-CZ3 3.33Å; I1297-F1372 HydrophobicContact CD1-CE1 4.45Å; I1297-F1372 HydrophobicContact CG2-CE1 3.92Å; I1297-F1372 HydrophobicContact CG2-CZ 4.24Å; I1297-L1376 HydrophobicContact CG2-CD1 4.17Å; I1297-L1396 HydrophobicContact CB-CD1 4.39Å; I1297-L1396 HydrophobicContact CG2-CD1 3.96Å; I1297-L1396 HydrophobicContact CG2-CG 4.27Å
1298R75.3Confident83.7Confident89 Ų8948.4 Ų48.434%0.33627%0.27SS..Hα-helixtrans-62.1-31.5175.9-75.9169.1-172.8-174.87112.8E1294 D1295 N1300E1294-R1298 WeakPolarHBondContact O-CB 3.47Å; E1294-R1298 WeakPolarHBondContact O-CG 3.5Å; E1294-R1298 PolarHBondContact O-N 2.91Å; E1294-R1298 IonicContact OE2-CZ 2.82Å; E1294-R1298 IonicContact OE2-NH2 3.43Å; E1294-R1298 PolarHBondContact OE2-NH2 3.32Å; D1295-R1298 PolarHBondContact O-N 3.12Å; D1295-R1298 IonicContact OD1-NH1 2.66Å; R1298-N1300 PolarHBondContact O-N 2.79Å
1299S80.3Confident84.2Confident67 Ų6749.2 Ų49.247%0.46927%0.274SS..THydrogen-bonded Turntrans-803175.449.30000113.6D1295 A1296 I1297 L1301D1295-S1299 WeakPolarHBondContact O-CB 3.42Å; D1295-S1299 PolarHBondContact O-N 3.17Å; D1295-S1299 PolarHBondContact O-OG 2.86Å; A1296-S1299 WeakPolarHBondContact CA-OG 3.28Å; A1296-S1299 PolarHBondContact O-OG 2.96Å; I1297-S1299 PolarHBondContact O-N 2.9Å; S1299-L1301 PolarHBondContact O-N 3.28Å; S1299-L1301 VanDerWaalsContact O-N 3.15Å; S1299-L1301 WeakPolarHBondContact OG-CD1 3.44Å
1300N80.5Confident84.6Confident55 Ų5549.3 Ų49.329%0.29427%0.274SS..THydrogen-bonded Turntrans51.433.1-177.3-65-20.4000112.6I1297 R1298 L1376I1297-N1300 PolarHBondContact O-N 3.15Å; I1297-N1300 PolarHBondContact O-OD1 3.13Å; R1298-N1300 PolarHBondContact O-N 2.79Å; N1300-L1376 HydrophobicContact CB-CB 4.47Å
1301L82.6Confident85.1Confident61 Ų6144.1 Ų44.132%0.31925%0.252SS..  trans-67.3125.1177.5-110.774.4000109.2A1296 S1299 S1305 W1306A1296-L1301 PolarHBondContact O-N 2.87Å; S1299-L1301 PolarHBondContact O-N 3.28Å; S1299-L1301 VanDerWaalsContact O-N 3.15Å; S1299-L1301 WeakPolarHBondContact OG-CD1 3.44Å; L1301-S1305 WeakPolarHBondContact CG-OG 3.41Å; L1301-W1306 PolarHBondContact O-NE1 3.32Å
1302P85.2Confident85.5Confident51 Ų5140.4 Ų40.433%0.33123%0.233SC..  trans-60.2144.7174.125.9-33.6000109.7T1304 S1305P1302-T1304 PolarHBondContact O-N 3.4Å; P1302-S1305 WeakPolarHBondContact CD-OG 3.39Å; P1302-S1305 PolarHBondContact O-N 3.45Å; P1302-S1305 PolarHBondContact O-OG 3.17Å
1303F89.6Confident85.8Confident1 Ų136.9 Ų36.90%0.00422%0.215CC..G310 helixtrans-53.4-33.5-177.1179-101.8000113.1S1305 W1306 L1311 W1314 G1336 L1339 A1340 V1366 M1369 L1370 T1373F1303-S1305 PolarHBondContact O-N 3.48Å; F1303-W1306 AromaticContact CD2-CD2 3.92Å; F1303-W1306 HydrophobicContact CD2-CD2 3.92Å; F1303-W1306 AromaticContact CD2-CE3 3.68Å; F1303-W1306 HydrophobicContact CD2-CE3 3.68Å; F1303-W1306 HydrophobicContact CD2-CH2 4.35Å; F1303-W1306 AromaticContact CD2-CZ3 3.91Å; F1303-W1306 HydrophobicContact CD2-CZ3 3.91Å; F1303-W1306 AromaticContact CE2-CE3 3.9Å; F1303-W1306 HydrophobicContact CE2-CE3 3.9Å; F1303-W1306 HydrophobicContact CE2-CZ3 4.08Å; F1303-W1306 WeakPolarHBondContact O-CB 3.38Å; F1303-W1306 PolarHBondContact O-N 2.94Å; F1303-W1306 VanDerWaalsContact O-N 3.16Å; F1303-L1311 HydrophobicContact CE2-CD2 3.84Å; F1303-L1311 HydrophobicContact CZ-CD2 3.94Å; F1303-W1314 HydrophobicContact CE2-CD2 4.4Å; F1303-W1314 HydrophobicContact CE2-CE3 4.17Å; F1303-W1314 HydrophobicContact CE2-CH2 4.19Å; F1303-W1314 HydrophobicContact CE2-CZ2 4.38Å; F1303-W1314 HydrophobicContact CE2-CZ3 4.08Å; F1303-W1314 HydrophobicContact CZ-CE3 4.49Å; F1303-W1314 HydrophobicContact CZ-CH2 4.1Å; F1303-W1314 AromaticContact CZ-CZ3 4Å; F1303-W1314 HydrophobicContact CZ-CZ3 4Å; F1303-G1336 WeakPolarHBondContact O-CA 3.25Å; F1303-L1339 HydrophobicContact CZ-CD2 4.16Å; F1303-A1340 HydrophobicContact CE1-CB 4.35Å; F1303-V1366 HydrophobicContact CE1-CG1 3.86Å; F1303-V1366 HydrophobicContact CE1-CG2 4.49Å; F1303-V1366 HydrophobicContact CZ-CG1 4.36Å; F1303-V1366 HydrophobicContact CZ-CG2 4.24Å; F1303-M1369 HydrophobicContact CB-CG 4.26Å; F1303-M1369 HydrophobicContact CD2-CB 3.93Å; F1303-M1369 HydrophobicContact CD2-CG 3.2Å; F1303-M1369 HydrophobicContact CE2-CB 4.1Å; F1303-M1369 HydrophobicContact CE2-CG 3.67Å; F1303-M1369 HydrophobicContact CG-CB 4.43Å; F1303-M1369 HydrophobicContact CG-CG 3.94Å; F1303-L1370 HydrophobicContact CB-CD2 4.04Å; F1303-L1370 HydrophobicContact CB-CG 4.46Å; F1303-L1370 HydrophobicContact CD1-CD2 3.79Å; F1303-L1370 HydrophobicContact CD1-CG 3.87Å; F1303-L1370 HydrophobicContact CG-CD2 4.34Å; F1303-L1370 HydrophobicContact CG-CG 4.45Å; F1303-T1373 HydrophobicContact CB-CG2 4.21Å; F1303-T1373 WeakPolarHBondContact CB-OG1 3.31Å; F1303-T1373 PolarHBondContact N-OG1 2.61Å; F1303-T1373 VanDerWaalsContact N-OG1 3.17Å
1304T88.9Confident86.1Confident66 Ų6636.9 Ų36.941%0.40522%0.215SC..G310 helixtrans-62.7-25.6178.552.80000113.9P1302 A1337 L1370P1302-T1304 PolarHBondContact O-N 3.4Å; T1304-A1337 HydrophobicContact CG2-CB 4.45Å; T1304-A1337 WeakPolarHBondContact O-CB 3.3Å; T1304-A1337 PolarHBondContact O-N 3.46Å; T1304-L1370 HydrophobicContact CG2-CD2 4.11Å
1305S87.5Confident86.6Confident58 Ų5835 Ų3541%0.40621%0.206SC..G310 helixtrans-92.82.4178.769.70000114L1301 P1302 F1303L1301-S1305 WeakPolarHBondContact CG-OG 3.41Å; P1302-S1305 WeakPolarHBondContact CD-OG 3.39Å; P1302-S1305 PolarHBondContact O-N 3.45Å; P1302-S1305 PolarHBondContact O-OG 3.17Å; F1303-S1305 PolarHBondContact O-N 3.48Å
1306W92.2Very high87Confident0 Ų034.3 Ų34.30%020%0.199CC..  trans-68.8135.7179.6-71.217000111.3L1293 I1297 L1301 F1303 I1310 L1311 W1314 S1335 G1336 M1369 T1373L1293-W1306 HydrophobicContact CD1-CH2 3.78Å; L1293-W1306 HydrophobicContact CD1-CZ3 3.72Å; I1297-W1306 HydrophobicContact CD1-CH2 4.42Å; I1297-W1306 HydrophobicContact CG1-CH2 4.22Å; I1297-W1306 HydrophobicContact CG1-CZ2 3.95Å; L1301-W1306 PolarHBondContact O-NE1 3.32Å; F1303-W1306 AromaticContact CD2-CD2 3.92Å; F1303-W1306 HydrophobicContact CD2-CD2 3.92Å; F1303-W1306 AromaticContact CD2-CE3 3.68Å; F1303-W1306 HydrophobicContact CD2-CE3 3.68Å; F1303-W1306 HydrophobicContact CD2-CH2 4.35Å; F1303-W1306 AromaticContact CD2-CZ3 3.91Å; F1303-W1306 HydrophobicContact CD2-CZ3 3.91Å; F1303-W1306 AromaticContact CE2-CE3 3.9Å; F1303-W1306 HydrophobicContact CE2-CE3 3.9Å; F1303-W1306 HydrophobicContact CE2-CZ3 4.08Å; F1303-W1306 WeakPolarHBondContact O-CB 3.38Å; F1303-W1306 PolarHBondContact O-N 2.94Å; F1303-W1306 VanDerWaalsContact O-N 3.16Å; W1306-I1310 HydrophobicContact CB-CB 4.48Å; W1306-I1310 HydrophobicContact CB-CG2 4.3Å; W1306-I1310 HydrophobicContact CD2-CG2 3.79Å; W1306-I1310 HydrophobicContact CE3-CG2 3.65Å; W1306-I1310 HydrophobicContact CG-CG2 4.1Å; W1306-I1310 HydrophobicContact CZ3-CG2 4.24Å; W1306-L1311 HydrophobicContact CB-CD2 4.13Å; W1306-L1311 HydrophobicContact CB-CG 4.33Å; W1306-L1311 HydrophobicContact CE3-CD2 4.12Å; W1306-W1314 HydrophobicContact CZ3-CB 3.96Å; W1306-W1314 HydrophobicContact CZ3-CD2 4.38Å; W1306-W1314 AromaticContact CZ3-CG 3.86Å; W1306-W1314 HydrophobicContact CZ3-CG 3.86Å; W1306-S1335 CarbonylContact O-C 3.54Å; W1306-S1335 WeakPolarHBondContact O-CA 3.43Å; W1306-G1336 PolarHBondContact O-N 3.18Å; W1306-M1369 HydrophobicContact CH2-CE 4Å; W1306-M1369 HydrophobicContact CH2-CG 3.91Å; W1306-M1369 HydrophobicContact CH2-SD 3.58Å; W1306-M1369 VanDerWaalsContact CH2-SD 3.58Å; W1306-M1369 HydrophobicContact CZ2-CG 4.46Å; W1306-M1369 HydrophobicContact CZ2-SD 4.09Å; W1306-M1369 HydrophobicContact CZ3-CG 4.2Å; W1306-M1369 HydrophobicContact CZ3-SD 4.37Å; W1306-T1373 HydrophobicContact CZ2-CG2 4.01Å
1307S90.6Very high87.1Confident54 Ų5436.5 Ų36.538%0.37821%0.21SC..BIsolated β-bridgetrans-82.2160.317764.50000111.9I1310 L1311S1307-I1310 WeakPolarHBondContact O-CB 3.47Å; S1307-I1310 PolarHBondContact O-N 2.94Å; S1307-I1310 WeakPolarHBondContact OG-CD1 3.48Å; S1307-L1311 PolarHBondContact O-N 3.46Å
1308S90.7Very high87.5Confident22 Ų2237.1 Ų37.115%0.15421%0.212CC..Hα-helixtrans-50.1-45.3179.5-1770000114.4I1310 L1311 V1312 I1333 K1334S1308-I1310 VanDerWaalsContact C-N 3.31Å; S1308-I1310 PolarHBondContact O-N 3.32Å; S1308-L1311 PolarHBondContact O-N 3.24Å; S1308-V1312 WeakPolarHBondContact O-CG2 3.49Å; S1308-V1312 PolarHBondContact O-N 3Å; S1308-I1333 WeakPolarHBondContact CB-O 3.45Å; S1308-I1333 PolarHBondContact OG-O 3.1Å; S1308-K1334 PolarHBondContact N-O 3.34Å
1309P90.9Very high88Confident75 Ų7532.9 Ų32.949%0.48720%0.196SC..Hα-helixtrans-62-33.1176.8-2535.4000114.8S1313P1309-S1313 WeakPolarHBondContact O-CB 3.43Å; P1309-S1313 PolarHBondContact O-N 2.85Å; P1309-S1313 VanDerWaalsContact O-N 3.12Å; P1309-S1313 PolarHBondContact O-OG 3.29Å
1310I90.1Very high88.3Confident22 Ų2230.3 Ų30.311%0.11318%0.18CC..Hα-helixtrans-70.8-44.9176.4-60.9168.7000109.1L1293 A1296 W1306 S1307 S1308 V1312 S1313 W1314L1293-I1310 HydrophobicContact CD1-CG2 4.12Å; A1296-I1310 HydrophobicContact CB-CD1 3.97Å; A1296-I1310 HydrophobicContact CB-CG1 4.47Å; A1296-I1310 HydrophobicContact CB-CG2 3.76Å; W1306-I1310 HydrophobicContact CB-CB 4.48Å; W1306-I1310 HydrophobicContact CB-CG2 4.3Å; W1306-I1310 HydrophobicContact CD2-CG2 3.79Å; W1306-I1310 HydrophobicContact CE3-CG2 3.65Å; W1306-I1310 HydrophobicContact CG-CG2 4.1Å; W1306-I1310 HydrophobicContact CZ3-CG2 4.24Å; S1307-I1310 WeakPolarHBondContact O-CB 3.47Å; S1307-I1310 PolarHBondContact O-N 2.94Å; S1307-I1310 WeakPolarHBondContact OG-CD1 3.48Å; S1308-I1310 VanDerWaalsContact C-N 3.31Å; S1308-I1310 PolarHBondContact O-N 3.32Å; I1310-V1312 PolarHBondContact O-N 3.12Å; I1310-S1313 WeakPolarHBondContact O-CB 3.34Å; I1310-S1313 PolarHBondContact O-N 3.07Å; I1310-W1314 WeakPolarHBondContact O-CB 3.48Å; I1310-W1314 PolarHBondContact O-N 3.16Å
1311L91.7Very high88.8Confident5 Ų528.3 Ų28.33%0.02617%0.169CC..Hα-helixtrans-60.9-43.2176.2-66.5173.6000112.3F1303 W1306 S1307 S1308 S1313 W1314 L1315 I1333 L1339F1303-L1311 HydrophobicContact CE2-CD2 3.84Å; F1303-L1311 HydrophobicContact CZ-CD2 3.94Å; W1306-L1311 HydrophobicContact CB-CD2 4.13Å; W1306-L1311 HydrophobicContact CB-CG 4.33Å; W1306-L1311 HydrophobicContact CE3-CD2 4.12Å; S1307-L1311 PolarHBondContact O-N 3.46Å; S1308-L1311 PolarHBondContact O-N 3.24Å; L1311-S1313 VanDerWaalsContact C-N 3.3Å; L1311-S1313 PolarHBondContact O-N 3.29Å; L1311-W1314 HydrophobicContact CD2-CE3 4.33Å; L1311-W1314 PolarHBondContact O-N 3.28Å; L1311-L1315 WeakPolarHBondContact O-CB 3.11Å; L1311-L1315 VanDerWaalsContact O-CG 3.31Å; L1311-L1315 WeakPolarHBondContact O-CG 3.4Å; L1311-L1315 PolarHBondContact O-N 2.92Å; L1311-I1333 HydrophobicContact CD1-CG2 3.83Å; L1311-L1339 HydrophobicContact CD2-CD2 4.37Å
1312V90.6Very high89Confident13 Ų1327 Ų278%0.07916%0.164CC..Hα-helixtrans-60-43.3175.6165.20000110.9S1308 I1310 K1316 V1326 E1330S1308-V1312 WeakPolarHBondContact O-CG2 3.49Å; S1308-V1312 PolarHBondContact O-N 3Å; I1310-V1312 PolarHBondContact O-N 3.12Å; V1312-K1316 WeakPolarHBondContact O-CB 3.32Å; V1312-K1316 PolarHBondContact O-N 3.2Å; V1312-V1326 HydrophobicContact CB-CG1 4.31Å; V1312-V1326 HydrophobicContact CG1-CG1 3.69Å; V1312-V1326 HydrophobicContact CG2-CG1 4.33Å; V1312-E1330 HydrophobicContact CG2-CB 3.7Å; V1312-E1330 HydrophobicContact CG2-CG 3.82Å
1313S89.5Confident89.1Confident3 Ų328.5 Ų28.52%0.02118%0.181CC..Hα-helixtrans-65.3-42.1176.9-57.60000111.5Q1289 P1309 I1310 L1311 L1317Q1289-S1313 WeakPolarHBondContact O-CB 3.43Å; P1309-S1313 WeakPolarHBondContact O-CB 3.43Å; P1309-S1313 PolarHBondContact O-N 2.85Å; P1309-S1313 VanDerWaalsContact O-N 3.12Å; P1309-S1313 PolarHBondContact O-OG 3.29Å; I1310-S1313 WeakPolarHBondContact O-CB 3.34Å; I1310-S1313 PolarHBondContact O-N 3.07Å; L1311-S1313 VanDerWaalsContact C-N 3.3Å; L1311-S1313 PolarHBondContact O-N 3.29Å; S1313-L1317 VanDerWaalsContact O-CB 3.24Å; S1313-L1317 WeakPolarHBondContact O-CB 3.31Å; S1313-L1317 WeakPolarHBondContact O-CG 3.45Å; S1313-L1317 PolarHBondContact O-N 3.49Å
1314W91.1Very high88.9Confident1 Ų135.8 Ų35.80%0.00421%0.208CC..Hα-helixtrans-64.5-50.5175.7170.468.7000113.2L1293 F1303 W1306 I1310 L1311 K1316 L1317 W1318 V1319 L1339 A1365 V1366 M1369L1293-W1314 HydrophobicContact CD1-CB 3.77Å; L1293-W1314 HydrophobicContact CD1-CG 4.45Å; L1293-W1314 HydrophobicContact CD2-CB 4.13Å; F1303-W1314 HydrophobicContact CE2-CD2 4.4Å; F1303-W1314 HydrophobicContact CE2-CE3 4.17Å; F1303-W1314 HydrophobicContact CE2-CH2 4.19Å; F1303-W1314 HydrophobicContact CE2-CZ2 4.38Å; F1303-W1314 HydrophobicContact CE2-CZ3 4.08Å; F1303-W1314 HydrophobicContact CZ-CE3 4.49Å; F1303-W1314 HydrophobicContact CZ-CH2 4.1Å; F1303-W1314 AromaticContact CZ-CZ3 4Å; F1303-W1314 HydrophobicContact CZ-CZ3 4Å; W1306-W1314 HydrophobicContact CZ3-CB 3.96Å; W1306-W1314 HydrophobicContact CZ3-CD2 4.38Å; W1306-W1314 AromaticContact CZ3-CG 3.86Å; W1306-W1314 HydrophobicContact CZ3-CG 3.86Å; I1310-W1314 WeakPolarHBondContact O-CB 3.48Å; I1310-W1314 PolarHBondContact O-N 3.16Å; L1311-W1314 HydrophobicContact CD2-CE3 4.33Å; L1311-W1314 PolarHBondContact O-N 3.28Å; W1314-K1316 VanDerWaalsContact C-N 3.27Å; W1314-K1316 PolarHBondContact O-N 3.17Å; W1314-L1317 PolarHBondContact O-N 2.98Å; W1314-W1318 AromaticContact CD1-CE3 3.95Å; W1314-W1318 WeakPolarHBondContact O-CB 3.37Å; W1314-W1318 PolarHBondContact O-N 3.12Å; W1314-V1319 HydrophobicContact CD2-CG2 3.9Å; W1314-V1319 VanDerWaalsContact CE2-CG2 3.45Å; W1314-V1319 HydrophobicContact CE3-CG2 4.25Å; W1314-V1319 HydrophobicContact CH2-CG2 3.8Å; W1314-V1319 HydrophobicContact CZ2-CG2 3.43Å; W1314-V1319 VanDerWaalsContact CZ2-CG2 3.43Å; W1314-V1319 HydrophobicContact CZ3-CG2 4.19Å; W1314-V1319 PolarHBondContact O-N 2.96Å; W1314-V1319 VanDerWaalsContact O-N 3.1Å; W1314-L1339 HydrophobicContact CZ3-CD2 3.79Å; W1314-A1365 HydrophobicContact CH2-CB 4.15Å; W1314-A1365 HydrophobicContact CZ2-CB 3.88Å; W1314-V1366 HydrophobicContact CH2-CG2 3.79Å; W1314-V1366 HydrophobicContact CZ3-CG2 4.37Å; W1314-M1369 HydrophobicContact CZ2-CB 4.18Å
1315L91.4Very high89Confident2 Ų233 Ų331%0.0119%0.191CC..Iπ-helixtrans-58.7-42.1178.4-75.3172.3000111.1L1311 V1319 G1320 M1321 V1326 C1329 L1362L1311-L1315 WeakPolarHBondContact O-CB 3.11Å; L1311-L1315 VanDerWaalsContact O-CG 3.31Å; L1311-L1315 WeakPolarHBondContact O-CG 3.4Å; L1311-L1315 PolarHBondContact O-N 2.92Å; L1315-V1319 HydrophobicContact CD2-CB 4.45Å; L1315-V1319 HydrophobicContact CD2-CG2 4.22Å; L1315-G1320 PolarHBondContact O-N 2.91Å; L1315-M1321 HydrophobicContact CB-CB 4.48Å; L1315-M1321 HydrophobicContact CD2-CG 4.22Å; L1315-M1321 PolarHBondContact O-N 3.1Å; L1315-V1326 HydrophobicContact CB-CG2 4.12Å; L1315-C1329 HydrophobicContact CD1-CB 3.56Å; L1315-L1362 HydrophobicContact CD2-CD1 3.57Å
1316K88.5Confident89.2Confident63 Ų6330.7 Ų30.727%0.27417%0.174SC..Iπ-helixtrans-75-44-177.9-171.7177.6175.3-167.30113.1V1312 W1314 V1326V1312-K1316 WeakPolarHBondContact O-CB 3.32Å; V1312-K1316 PolarHBondContact O-N 3.2Å; W1314-K1316 VanDerWaalsContact C-N 3.27Å; W1314-K1316 PolarHBondContact O-N 3.17Å; K1316-V1326 HydrophobicContact CB-CG2 4.28Å
1317L84.6Confident89Confident52 Ų5233.1 Ų33.127%0.27219%0.194SC..Iπ-helixtrans-92.3-37.7-171.1-63.1175.2000113.6Q1289 K1290 S1313 W1314Q1289-L1317 HydrophobicContact CB-CD1 3.83Å; K1290-L1317 HydrophobicContact CB-CD1 4.05Å; S1313-L1317 VanDerWaalsContact O-CB 3.24Å; S1313-L1317 WeakPolarHBondContact O-CB 3.31Å; S1313-L1317 WeakPolarHBondContact O-CG 3.45Å; S1313-L1317 PolarHBondContact O-N 3.49Å; W1314-L1317 PolarHBondContact O-N 2.98Å
1318W85.2Confident88.9Confident20 Ų2031.8 Ų31.88%0.07619%0.186CC..Iπ-helixtrans-105.2-41-172.3-7115.2000112.2L1293 I1297 W1314 M1369 L1396 I1403 G1405L1293-W1318 HydrophobicContact CD2-CD2 3.54Å; L1293-W1318 VanDerWaalsContact CD2-CE2 3.41Å; L1293-W1318 HydrophobicContact CD2-CE3 4.24Å; L1293-W1318 HydrophobicContact CD2-CG 3.68Å; L1293-W1318 HydrophobicContact CD2-CZ2 4.06Å; L1293-W1318 HydrophobicContact CG-CD2 4.39Å; L1293-W1318 HydrophobicContact CG-CZ2 4.25Å; I1297-W1318 HydrophobicContact CD1-CE3 4.43Å; I1297-W1318 HydrophobicContact CD1-CH2 3.06Å; I1297-W1318 HydrophobicContact CD1-CZ2 3.97Å; I1297-W1318 HydrophobicContact CD1-CZ3 3.33Å; W1314-W1318 AromaticContact CD1-CE3 3.95Å; W1314-W1318 WeakPolarHBondContact O-CB 3.37Å; W1314-W1318 PolarHBondContact O-N 3.12Å; W1318-M1369 HydrophobicContact CE3-CE 3.67Å; W1318-M1369 HydrophobicContact CZ3-CE 3.77Å; W1318-L1396 HydrophobicContact CH2-CD2 4.19Å; W1318-L1396 HydrophobicContact CZ2-CD2 4.44Å; W1318-I1403 HydrophobicContact CE3-CG2 4.05Å; W1318-I1403 HydrophobicContact CZ3-CG2 3.61Å; W1318-G1405 WeakPolarHBondContact O-CA 3.44Å
1319V86.6Confident88.7Confident0 Ų031 Ų310%018%0.181CC..Iπ-helixtrans-78.2-30.5174.1-169.60000111.1W1314 L1315 M1321 K1361 A1365W1314-V1319 HydrophobicContact CD2-CG2 3.9Å; W1314-V1319 VanDerWaalsContact CE2-CG2 3.45Å; W1314-V1319 HydrophobicContact CE3-CG2 4.25Å; W1314-V1319 HydrophobicContact CH2-CG2 3.8Å; W1314-V1319 HydrophobicContact CZ2-CG2 3.43Å; W1314-V1319 VanDerWaalsContact CZ2-CG2 3.43Å; W1314-V1319 HydrophobicContact CZ3-CG2 4.19Å; W1314-V1319 PolarHBondContact O-N 2.96Å; W1314-V1319 VanDerWaalsContact O-N 3.1Å; L1315-V1319 HydrophobicContact CD2-CB 4.45Å; L1315-V1319 HydrophobicContact CD2-CG2 4.22Å; V1319-M1321 HydrophobicContact CB-CG 4.26Å; V1319-M1321 HydrophobicContact CG1-CE 3.72Å; V1319-M1321 HydrophobicContact CG1-CG 3.81Å; V1319-M1321 HydrophobicContact CG1-SD 4.49Å; V1319-K1361 HydrophobicContact CG1-CG 4.37Å; V1319-K1361 WeakPolarHBondContact O-CE 3.34Å; V1319-K1361 PolarHBondContact O-NZ 3.04Å; V1319-A1365 HydrophobicContact CG1-CB 4.01Å; V1319-A1365 HydrophobicContact CG2-CB 3.87Å
1320G86.6Confident88.7Confident12 Ų1232.7 Ų32.712%0.12418%0.182CC..  trans66.846.9-175.300000111.1L1315 H1409L1315-G1320 PolarHBondContact O-N 2.91Å; G1320-H1409 PolarHBondContact O-CE1 3.13Å; G1320-H1409 PolarHBondContact O-ND1 3.28Å
1321M90.3Very high88.6Confident13 Ų1335.2 Ų35.26%0.06421%0.206CC..  trans-80137173.2-75.3-64175.400110.8L1315 V1319 Y1325 V1326 K1361 L1362 L1433L1315-M1321 HydrophobicContact CB-CB 4.48Å; L1315-M1321 HydrophobicContact CD2-CG 4.22Å; L1315-M1321 PolarHBondContact O-N 3.1Å; V1319-M1321 HydrophobicContact CB-CG 4.26Å; V1319-M1321 HydrophobicContact CG1-CE 3.72Å; V1319-M1321 HydrophobicContact CG1-CG 3.81Å; V1319-M1321 HydrophobicContact CG1-SD 4.49Å; M1321-Y1325 HydrophobicContact SD-CD2 4.2Å; M1321-V1326 HydrophobicContact CB-CG2 3.89Å; M1321-V1326 WeakPolarHBondContact O-CG2 3.38Å; M1321-K1361 HydrophobicContact CE-CB 3.91Å; M1321-K1361 HydrophobicContact CE-CD 3.6Å; M1321-K1361 HydrophobicContact CE-CG 3.71Å; M1321-K1361 HydrophobicContact SD-CD 4.44Å; M1321-L1362 HydrophobicContact CE-CB 4.06Å; M1321-L1433 HydrophobicContact SD-CD1 4.26Å
1322P87.5Confident88.3Confident33 Ų3338.9 Ų38.921%0.21423%0.226CC..  trans-51.8150.1171.4-2931.7000113.8W1324 Y1325 V1326 L1433P1322-W1324 VanDerWaalsContact CB-CD1 3.5Å; P1322-W1324 HydrophobicContact CB-CD2 4.49Å; P1322-W1324 HydrophobicContact CB-CG 4.27Å; P1322-W1324 PolarHBondContact O-N 2.71Å; P1322-W1324 VanDerWaalsContact O-N 3.09Å; P1322-Y1325 HydrophobicContact CB-CD2 4.47Å; P1322-Y1325 HydrophobicContact CG-CD2 4.2Å; P1322-Y1325 PolarHBondContact O-N 2.99Å; P1322-V1326 WeakPolarHBondContact O-CG2 3.49Å; P1322-V1326 PolarHBondContact O-N 3.08Å; P1322-L1433 HydrophobicContact CG-CD1 3.75Å; P1322-L1433 HydrophobicContact CG-CD2 3.88Å; P1322-L1433 HydrophobicContact CG-CG 4.48Å
1323A87.9Confident88.3Confident83 Ų8338.6 Ų38.669%0.68622%0.224SC*.Hα-helixtrans-55.3-34-175.700000114V1326 A1327A1323-V1326 PolarHBondContact O-N 3.28Å; A1323-A1327 WeakPolarHBondContact O-CB 3.46Å; A1323-A1327 PolarHBondContact O-N 2.88Å
1324W84.7Confident88.3Confident154 Ų15446.4 Ų46.458%0.58326%0.257SS*.Hα-helixtrans-71.8-34.717958.2-91.9000112.8P1322 A1328P1322-W1324 VanDerWaalsContact CB-CD1 3.5Å; P1322-W1324 HydrophobicContact CB-CD2 4.49Å; P1322-W1324 HydrophobicContact CB-CG 4.27Å; P1322-W1324 PolarHBondContact O-N 2.71Å; P1322-W1324 VanDerWaalsContact O-N 3.09Å; W1324-A1328 PolarHBondContact O-N 2.87Å; W1324-A1328 VanDerWaalsContact O-N 3.11Å
1325Y91.4Very high88.2Confident9 Ų948.1 Ų48.14%0.03527%0.27CS..Hα-helixtrans-70.7-40.6169.8-79-43.8000111.8M1321 P1322 A1327 A1328 C1329 I1353 H1358 L1433M1321-Y1325 HydrophobicContact SD-CD2 4.2Å; P1322-Y1325 HydrophobicContact CB-CD2 4.47Å; P1322-Y1325 HydrophobicContact CG-CD2 4.2Å; P1322-Y1325 PolarHBondContact O-N 2.99Å; Y1325-A1327 VanDerWaalsContact C-N 3.3Å; Y1325-A1327 PolarHBondContact O-N 3.34Å; Y1325-A1328 PolarHBondContact O-N 2.96Å; Y1325-C1329 PolarHBondContact O-N 2.73Å; Y1325-C1329 PolarHBondContact O-SG 3.18Å; Y1325-C1329 VanDerWaalsContact O-SG 3.38Å; Y1325-I1353 HydrophobicContact CD1-CD1 3.79Å; Y1325-I1353 HydrophobicContact CD1-CG1 3.72Å; Y1325-I1353 HydrophobicContact CE1-CB 3.86Å; Y1325-I1353 HydrophobicContact CE1-CD1 3.84Å; Y1325-I1353 HydrophobicContact CE1-CG1 3.42Å; Y1325-I1353 VanDerWaalsContact CE1-CG1 3.42Å; Y1325-I1353 HydrophobicContact CE1-CG2 3.77Å; Y1325-I1353 HydrophobicContact CG-CD1 4.43Å; Y1325-H1358 HydrophobicContact CE2-CB 4.19Å; Y1325-H1358 AromaticContact CE2-ND1 3.33Å; Y1325-H1358 VanDerWaalsContact CE2-ND1 3.33Å; Y1325-H1358 WeakPolarHBondContact CE2-ND1 3.4Å; Y1325-H1358 AromaticContact CZ-ND1 3.47Å; Y1325-H1358 PolarHBondContact OH-ND1 2.96Å; Y1325-L1433 HydrophobicContact CD2-CD1 4.24Å; Y1325-L1433 HydrophobicContact CE2-CD1 3.98Å
1326V90.9Very high88.2Confident8 Ų848 Ų485%0.04827%0.269CS..Hα-helixtrans-60.8-42.5176.5176.70000110.8V1312 L1315 K1316 M1321 P1322 A1323 C1329 E1330V1312-V1326 HydrophobicContact CB-CG1 4.31Å; V1312-V1326 HydrophobicContact CG1-CG1 3.69Å; V1312-V1326 HydrophobicContact CG2-CG1 4.33Å; L1315-V1326 HydrophobicContact CB-CG2 4.12Å; K1316-V1326 HydrophobicContact CB-CG2 4.28Å; M1321-V1326 HydrophobicContact CB-CG2 3.89Å; M1321-V1326 WeakPolarHBondContact O-CG2 3.38Å; P1322-V1326 WeakPolarHBondContact O-CG2 3.49Å; P1322-V1326 PolarHBondContact O-N 3.08Å; A1323-V1326 PolarHBondContact O-N 3.28Å; V1326-C1329 PolarHBondContact O-N 3.24Å; V1326-E1330 WeakPolarHBondContact O-CB 3.1Å; V1326-E1330 PolarHBondContact O-N 2.97Å
1327A89.1Confident88.2Confident51 Ų5147 Ų4742%0.42127%0.273SS..Hα-helixtrans-65.7-39.2176.600000112.7A1323 Y1325 E1330 A1331A1323-A1327 WeakPolarHBondContact O-CB 3.46Å; A1323-A1327 PolarHBondContact O-N 2.88Å; Y1325-A1327 VanDerWaalsContact C-N 3.3Å; Y1325-A1327 PolarHBondContact O-N 3.34Å; A1327-E1330 PolarHBondContact O-N 3.36Å; A1327-A1331 PolarHBondContact O-N 3.38Å
1328A88.1Confident88.3Confident26 Ų2648.2 Ų48.222%0.21528%0.278CS..Hα-helixtrans-63.3-44.2174.400000111.6W1324 Y1325 A1331 N1332W1324-A1328 PolarHBondContact O-N 2.87Å; W1324-A1328 VanDerWaalsContact O-N 3.11Å; Y1325-A1328 PolarHBondContact O-N 2.96Å; A1328-A1331 PolarHBondContact O-N 3.13Å; A1328-N1332 WeakPolarHBondContact O-CB 3.49Å; A1328-N1332 PolarHBondContact O-N 2.9Å; A1328-N1332 VanDerWaalsContact O-N 3.08Å; A1328-N1332 PolarHBondContact O-ND2 3.37Å
1329C87.1Confident88.6Confident7 Ų747.5 Ų47.55%0.04728%0.276CS..Hα-helixtrans-62.6-42.2173.4-68.90000111.8L1315 Y1325 V1326 A1331 N1332 I1333L1315-C1329 HydrophobicContact CD1-CB 3.56Å; Y1325-C1329 PolarHBondContact O-N 2.73Å; Y1325-C1329 PolarHBondContact O-SG 3.18Å; Y1325-C1329 VanDerWaalsContact O-SG 3.38Å; V1326-C1329 PolarHBondContact O-N 3.24Å; C1329-A1331 VanDerWaalsContact C-N 3.32Å; C1329-A1331 PolarHBondContact O-N 2.98Å; C1329-N1332 PolarHBondContact O-N 3.31Å; C1329-I1333 HydrophobicContact CB-CD1 4.12Å; C1329-I1333 WeakPolarHBondContact O-CA 3.14Å; C1329-I1333 WeakPolarHBondContact O-CB 3.38Å; C1329-I1333 PolarHBondContact O-N 3.35Å
1330E89.3Confident88.7Confident109 Ų10949.3 Ų49.351%0.50929%0.291SS..Hα-helixtrans-61.3-39.4178.2-172.8170.6-163.500112.3V1312 V1326 A1327V1312-E1330 HydrophobicContact CG2-CB 3.7Å; V1312-E1330 HydrophobicContact CG2-CG 3.82Å; V1326-E1330 WeakPolarHBondContact O-CB 3.1Å; V1326-E1330 PolarHBondContact O-N 2.97Å; A1327-E1330 PolarHBondContact O-N 3.36Å
1331A88.5Confident88.8Confident75 Ų7553 Ų5362%0.6232%0.315SS*.Hα-helixtrans-71.8-39.3179.200000113.1A1327 A1328 C1329A1327-A1331 PolarHBondContact O-N 3.38Å; A1328-A1331 PolarHBondContact O-N 3.13Å; C1329-A1331 VanDerWaalsContact C-N 3.32Å; C1329-A1331 PolarHBondContact O-N 2.98Å
1332N86.2Confident88.7Confident82 Ų8253.8 Ų53.844%0.43932%0.319SS..Hα-helixtrans-100.2-22-169.8-62.8-23.6000113.4A1328 C1329 E1350 L1351A1328-N1332 WeakPolarHBondContact O-CB 3.49Å; A1328-N1332 PolarHBondContact O-N 2.9Å; A1328-N1332 VanDerWaalsContact O-N 3.08Å; A1328-N1332 PolarHBondContact O-ND2 3.37Å; C1329-N1332 PolarHBondContact O-N 3.31Å; N1332-E1350 PolarHBondContact ND2-O 3.26Å; N1332-L1351 HydrophobicContact CB-CD2 4.05Å
1333I89.2Confident88.7Confident7 Ų754.2 Ų54.24%0.03632%0.323CS..  trans-116.1114.9-173.3-54.4176.4000110.8S1308 L1311 C1329 S1335 M1338 L1339 L1342 L1351S1308-I1333 WeakPolarHBondContact CB-O 3.45Å; S1308-I1333 PolarHBondContact OG-O 3.1Å; L1311-I1333 HydrophobicContact CD1-CG2 3.83Å; C1329-I1333 HydrophobicContact CB-CD1 4.12Å; C1329-I1333 WeakPolarHBondContact O-CA 3.14Å; C1329-I1333 WeakPolarHBondContact O-CB 3.38Å; C1329-I1333 PolarHBondContact O-N 3.35Å; I1333-S1335 VanDerWaalsContact CG2-O 3.22Å; I1333-S1335 WeakPolarHBondContact CG2-O 3.28Å; I1333-M1338 HydrophobicContact CG2-CB 4.42Å; I1333-L1339 HydrophobicContact CD1-CB 4.01Å; I1333-L1339 HydrophobicContact CD1-CD1 3.44Å; I1333-L1339 VanDerWaalsContact CD1-CD1 3.44Å; I1333-L1339 HydrophobicContact CD1-CD2 4.46Å; I1333-L1339 HydrophobicContact CD1-CG 4.12Å; I1333-L1339 HydrophobicContact CG2-CB 3.94Å; I1333-L1342 HydrophobicContact CD1-CD1 4.18Å; I1333-L1351 HydrophobicContact CD1-CD1 4.08Å; I1333-L1351 HydrophobicContact CD1-CD2 3.81Å; I1333-L1351 HydrophobicContact CG1-CD2 4.03Å
1334K89.6Confident88.6Confident167 Ų16752.9 Ų52.973%0.72630%0.302SS*.SBendtrans-92.6-23.3177.9-52.6177179.5173.20114S1308 M1338S1308-K1334 PolarHBondContact N-O 3.34Å; K1334-M1338 HydrophobicContact CB-CE 3.43Å; K1334-M1338 VanDerWaalsContact CB-CE 3.43Å; K1334-M1338 HydrophobicContact CD-CE 4.41Å; K1334-M1338 HydrophobicContact CG-CE 3.88Å
1335S90.5Very high88.6Confident38 Ų3850.9 Ų50.927%0.26630%0.299SS..BIsolated β-bridgetrans-147.8157.3-176.366.80000113W1306 I1333 A1337 M1338 L1339W1306-S1335 CarbonylContact O-C 3.54Å; W1306-S1335 WeakPolarHBondContact O-CA 3.43Å; I1333-S1335 VanDerWaalsContact CG2-O 3.22Å; I1333-S1335 WeakPolarHBondContact CG2-O 3.28Å; S1335-A1337 VanDerWaalsContact C-N 3.26Å; S1335-A1337 PolarHBondContact O-N 2.84Å; S1335-M1338 PolarHBondContact O-N 3.2Å; S1335-L1339 PolarHBondContact O-N 3.22Å
1336G90.5Very high88.5Confident0 Ų052.8 Ų52.80%031%0.31CS..Hα-helixtrans-66.6-28.1179.400000113F1303 W1306 L1339 A1340F1303-G1336 WeakPolarHBondContact O-CA 3.25Å; W1306-G1336 PolarHBondContact O-N 3.18Å; G1336-L1339 PolarHBondContact O-N 3.38Å; G1336-A1340 WeakPolarHBondContact O-CB 3.47Å; G1336-A1340 PolarHBondContact O-N 3.06Å
1337A89.4Confident88.3Confident42 Ų4252.6 Ų52.635%0.34731%0.309SS..Hα-helixtrans-60.4-43.8172.400000112.1T1304 S1335 A1340 S1341T1304-A1337 HydrophobicContact CG2-CB 4.45Å; T1304-A1337 WeakPolarHBondContact O-CB 3.3Å; T1304-A1337 PolarHBondContact O-N 3.46Å; S1335-A1337 VanDerWaalsContact C-N 3.26Å; S1335-A1337 PolarHBondContact O-N 2.84Å; A1337-A1340 PolarHBondContact O-N 2.89Å; A1337-S1341 PolarHBondContact O-N 3.39Å; A1337-S1341 VanDerWaalsContact O-N 3.12Å; A1337-S1341 PolarHBondContact O-OG 3.25Å
1338M86.7Confident88.3Confident76 Ų7654.3 Ų54.337%0.37431%0.308SS..Hα-helixtrans-64.2-43.4177-77.3-164.7-64.400111.4I1333 K1334 S1335 A1340 S1341 L1342I1333-M1338 HydrophobicContact CG2-CB 4.42Å; K1334-M1338 HydrophobicContact CB-CE 3.43Å; K1334-M1338 VanDerWaalsContact CB-CE 3.43Å; K1334-M1338 HydrophobicContact CD-CE 4.41Å; K1334-M1338 HydrophobicContact CG-CE 3.88Å; S1335-M1338 PolarHBondContact O-N 3.2Å; M1338-A1340 VanDerWaalsContact C-N 3.28Å; M1338-A1340 PolarHBondContact O-N 3.2Å; M1338-S1341 PolarHBondContact O-N 3.16Å; M1338-S1341 PolarHBondContact O-OG 2.92Å; M1338-L1342 WeakPolarHBondContact O-CG 3.32Å; M1338-L1342 PolarHBondContact O-N 3.04Å
1339L89.8Confident88.1Confident6 Ų661.9 Ų61.93%0.03133%0.331CS..Hα-helixtrans-62.9-36.2177.4-17856000112.4F1303 L1311 W1314 I1333 S1335 G1336 S1341 L1342 L1362 V1366F1303-L1339 HydrophobicContact CZ-CD2 4.16Å; L1311-L1339 HydrophobicContact CD2-CD2 4.37Å; W1314-L1339 HydrophobicContact CZ3-CD2 3.79Å; I1333-L1339 HydrophobicContact CD1-CB 4.01Å; I1333-L1339 HydrophobicContact CD1-CD1 3.44Å; I1333-L1339 VanDerWaalsContact CD1-CD1 3.44Å; I1333-L1339 HydrophobicContact CD1-CD2 4.46Å; I1333-L1339 HydrophobicContact CD1-CG 4.12Å; I1333-L1339 HydrophobicContact CG2-CB 3.94Å; S1335-L1339 PolarHBondContact O-N 3.22Å; G1336-L1339 PolarHBondContact O-N 3.38Å; L1339-S1341 VanDerWaalsContact C-N 3.34Å; L1339-L1342 HydrophobicContact CD1-CD1 4.28Å; L1339-L1362 HydrophobicContact CD1-CD1 4.38Å; L1339-L1362 HydrophobicContact CD1-CD2 4.13Å; L1339-L1362 HydrophobicContact CD1-CG 4.41Å; L1339-V1366 HydrophobicContact CD1-CG2 4.42Å; L1339-V1366 HydrophobicContact CD2-CG2 3.98Å; L1339-V1366 HydrophobicContact CG-CG2 3.87Å
1340A89.4Confident87.8Confident38 Ų3866.6 Ų66.631%0.31435%0.352SS..Hα-helixtrans-70.8-26.5178.400000113.7F1303 G1336 A1337 M1338 V1366 L1370F1303-A1340 HydrophobicContact CE1-CB 4.35Å; G1336-A1340 WeakPolarHBondContact O-CB 3.47Å; G1336-A1340 PolarHBondContact O-N 3.06Å; A1337-A1340 PolarHBondContact O-N 2.89Å; M1338-A1340 VanDerWaalsContact C-N 3.28Å; M1338-A1340 PolarHBondContact O-N 3.2Å; A1340-V1366 HydrophobicContact CB-CG1 4.25Å; A1340-L1370 HydrophobicContact CB-CD1 4.01Å; A1340-L1370 HydrophobicContact CB-CD2 4.46Å
1341S88.5Confident87.6Confident90 Ų9061.8 Ų61.863%0.62933%0.33SS*.Hα-helixtrans-90.9-9.3-178.760.40000114.6A1337 M1338 L1339 S1343A1337-S1341 PolarHBondContact O-N 3.39Å; A1337-S1341 VanDerWaalsContact O-N 3.12Å; A1337-S1341 PolarHBondContact O-OG 3.25Å; M1338-S1341 PolarHBondContact O-N 3.16Å; M1338-S1341 PolarHBondContact O-OG 2.92Å; L1339-S1341 VanDerWaalsContact C-N 3.34Å; S1341-S1343 PolarHBondContact O-N 2.9Å
1342L88.3Confident87.5Confident29 Ų2960.2 Ų60.215%0.15232%0.322CS..  trans-65.5126.9-179-66179.3000111.1I1333 M1338 L1339 D1346 I1347 E1350 L1351I1333-L1342 HydrophobicContact CD1-CD1 4.18Å; M1338-L1342 WeakPolarHBondContact O-CG 3.32Å; M1338-L1342 PolarHBondContact O-N 3.04Å; L1339-L1342 HydrophobicContact CD1-CD1 4.28Å; L1342-D1346 HydrophobicContact CB-CB 4.24Å; L1342-D1346 HydrophobicContact CD2-CB 3.87Å; L1342-I1347 HydrophobicContact CB-CD1 4.48Å; L1342-I1347 HydrophobicContact CB-CG1 3.78Å; L1342-I1347 HydrophobicContact CD1-CG1 4.28Å; L1342-E1350 WeakPolarHBondContact CD2-OE2 3.26Å; L1342-L1351 HydrophobicContact CD1-CD1 3.77Å; L1342-L1351 HydrophobicContact CD1-CG 4.14Å
1343S87.2Confident87.6Confident42 Ų4256.4 Ų56.429%0.29430%0.301SS..  trans-72.7168.5170.476.10000111.3S1341 Q1345 D1346 I1347S1341-S1343 PolarHBondContact O-N 2.9Å; S1343-Q1345 PolarHBondContact O-N 3.33Å; S1343-Q1345 PolarHBondContact OG-N 3.3Å; S1343-D1346 VanDerWaalsContact CB-OD2 3.25Å; S1343-D1346 WeakPolarHBondContact CB-OD2 3.44Å; S1343-D1346 PolarHBondContact N-OD2 3.15Å; S1343-D1346 PolarHBondContact O-N 3.35Å; S1343-D1346 VanDerWaalsContact O-N 3.12Å; S1343-D1346 PolarHBondContact OG-N 3.41Å; S1343-D1346 PolarHBondContact OG-OD2 2.84Å; S1343-I1347 WeakPolarHBondContact O-CG1 2.95Å; S1343-I1347 PolarHBondContact O-N 2.91Å
1344E85.5Confident87.4Confident54 Ų5465.5 Ų65.525%0.25234%0.335SS..Hα-helixtrans-55.5-37.5173.8-177.272.3-168.700111.9Q1348 R1359 R1363E1344-Q1348 PolarHBondContact O-N 3.42Å; E1344-Q1348 VanDerWaalsContact O-N 3.16Å; E1344-R1359 IonicContact OE1-CZ 3.58Å; E1344-R1359 IonicContact OE1-NE 3.77Å; E1344-R1359 PolarHBondContact OE1-NE 3Å; E1344-R1359 IonicContact OE1-NH2 3.74Å; E1344-R1359 PolarHBondContact OE1-NH2 3.17Å; E1344-R1363 IonicContact OE2-CZ 3.37Å; E1344-R1363 VanDerWaalsContact OE2-CZ 3.31Å; E1344-R1363 IonicContact OE2-NE 2.9Å; E1344-R1363 PolarHBondContact OE2-NE 3.32Å; E1344-R1363 IonicContact OE2-NH2 2.79Å; E1344-R1363 PolarHBondContact OE2-NH2 2.9Å; E1344-R1363 VanDerWaalsContact OE2-NH2 3.16Å
1345Q86.2Confident87.5Confident112 Ų11259.2 Ų59.252%0.52331%0.309SS..Hα-helixtrans-71.9-36.9178.9-61.6-17919.500111.5S1343 Q1348 R1349S1343-Q1345 PolarHBondContact O-N 3.33Å; S1343-Q1345 PolarHBondContact OG-N 3.3Å; Q1345-Q1348 PolarHBondContact O-N 3.18Å; Q1345-R1349 WeakPolarHBondContact O-CB 3.28Å; Q1345-R1349 WeakPolarHBondContact O-CG 3.46Å; Q1345-R1349 PolarHBondContact O-N 3.47Å
1346D87.7Confident87.5Confident49 Ų4959.4 Ų59.426%0.26231%0.31SS..Hα-helixtrans-71.4-40.5178.4-52.9-38.2000110.8L1342 S1343 Q1348 R1349 E1350L1342-D1346 HydrophobicContact CB-CB 4.24Å; L1342-D1346 HydrophobicContact CD2-CB 3.87Å; S1343-D1346 VanDerWaalsContact CB-OD2 3.25Å; S1343-D1346 WeakPolarHBondContact CB-OD2 3.44Å; S1343-D1346 PolarHBondContact N-OD2 3.15Å; S1343-D1346 PolarHBondContact O-N 3.35Å; S1343-D1346 VanDerWaalsContact O-N 3.12Å; S1343-D1346 PolarHBondContact OG-N 3.41Å; S1343-D1346 PolarHBondContact OG-OD2 2.84Å; D1346-Q1348 PolarHBondContact O-N 2.73Å; D1346-R1349 PolarHBondContact O-N 2.97Å; D1346-E1350 HydrophobicContact CB-CG 4.3Å; D1346-E1350 WeakPolarHBondContact O-CA 3.41Å; D1346-E1350 WeakPolarHBondContact O-CB 3.36Å; D1346-E1350 PolarHBondContact O-N 3.31Å
1347I88.2Confident87.6Confident4 Ų459.5 Ų59.52%0.02131%0.31CS..Hα-helixtrans-58.6-38.9172.2-64171.3000110.4L1342 S1343 L1351 G1352 I1353 R1359 L1362 R1363L1342-I1347 HydrophobicContact CB-CD1 4.48Å; L1342-I1347 HydrophobicContact CB-CG1 3.78Å; L1342-I1347 HydrophobicContact CD1-CG1 4.28Å; S1343-I1347 WeakPolarHBondContact O-CG1 2.95Å; S1343-I1347 PolarHBondContact O-N 2.91Å; I1347-L1351 HydrophobicContact CG1-CD1 4.49Å; I1347-L1351 HydrophobicContact CG2-CD1 4.25Å; I1347-L1351 WeakPolarHBondContact O-CB 3.27Å; I1347-L1351 PolarHBondContact O-N 3.42Å; I1347-G1352 PolarHBondContact O-N 3.25Å; I1347-I1353 HydrophobicContact CG2-CB 4.09Å; I1347-I1353 HydrophobicContact CG2-CD1 4.03Å; I1347-I1353 HydrophobicContact CG2-CG1 4.16Å; I1347-I1353 PolarHBondContact O-N 3.48Å; I1347-R1359 HydrophobicContact CB-CG 4.49Å; I1347-R1359 HydrophobicContact CG2-CB 4.09Å; I1347-R1359 HydrophobicContact CG2-CG 3.56Å; I1347-L1362 HydrophobicContact CG2-CD2 4.26Å; I1347-R1363 HydrophobicContact CD1-CG 3.76Å
1348Q88.6Confident87.9Confident88 Ų8858.1 Ų58.141%0.41130%0.296SS..Hα-helixtrans-71.8-44.6177.9-173.7176.5-000112.8E1344 Q1345 D1346 G1352E1344-Q1348 PolarHBondContact O-N 3.42Å; E1344-Q1348 VanDerWaalsContact O-N 3.16Å; Q1345-Q1348 PolarHBondContact O-N 3.18Å; D1346-Q1348 PolarHBondContact O-N 2.73Å; Q1348-G1352 VanDerWaalsContact O-CA 3.27Å; Q1348-G1352 WeakPolarHBondContact O-CA 3.44Å; Q1348-G1352 PolarHBondContact O-N 3.17Å
1349R84.3Confident88.2Confident184 Ų18455.4 Ų55.469%0.69428%0.282SS*.Hα-helixtrans-81.3-50.1-175-69.1177.8-172.7160.26.9112.5Q1345 D1346Q1345-R1349 WeakPolarHBondContact O-CB 3.28Å; Q1345-R1349 WeakPolarHBondContact O-CG 3.46Å; Q1345-R1349 PolarHBondContact O-N 3.47Å; D1346-R1349 PolarHBondContact O-N 2.97Å
1350E81.1Confident88.4Confident106 Ų10656.2 Ų56.250%0.49529%0.286SS..THydrogen-bonded Turntrans-81.8-44-173.7-55.5-168.7162.400112.4N1332 L1342 D1346N1332-E1350 PolarHBondContact ND2-O 3.26Å; L1342-E1350 WeakPolarHBondContact CD2-OE2 3.26Å; D1346-E1350 HydrophobicContact CB-CG 4.3Å; D1346-E1350 WeakPolarHBondContact O-CA 3.41Å; D1346-E1350 WeakPolarHBondContact O-CB 3.36Å; D1346-E1350 PolarHBondContact O-N 3.31Å
1351L84.4Confident88.6Confident8 Ų854.4 Ų54.44%0.04227%0.271CS..SBendtrans-88.7-7.7177.5-59.3176.7000113.1N1332 I1333 L1342 I1347 I1353 L1362N1332-L1351 HydrophobicContact CB-CD2 4.05Å; I1333-L1351 HydrophobicContact CD1-CD1 4.08Å; I1333-L1351 HydrophobicContact CD1-CD2 3.81Å; I1333-L1351 HydrophobicContact CG1-CD2 4.03Å; L1342-L1351 HydrophobicContact CD1-CD1 3.77Å; L1342-L1351 HydrophobicContact CD1-CG 4.14Å; I1347-L1351 HydrophobicContact CG1-CD1 4.49Å; I1347-L1351 HydrophobicContact CG2-CD1 4.25Å; I1347-L1351 WeakPolarHBondContact O-CB 3.27Å; I1347-L1351 PolarHBondContact O-N 3.42Å; L1351-I1353 HydrophobicContact CB-CD1 4.15Å; L1351-I1353 HydrophobicContact CB-CG1 3.76Å; L1351-I1353 HydrophobicContact CD1-CD1 4.38Å; L1351-I1353 PolarHBondContact O-N 3.4Å; L1351-L1362 HydrophobicContact CD1-CD2 3.95Å
1352G85.4Confident88.8Confident43 Ų4350.2 Ų50.244%0.44324%0.242SC..  trans68.717.217900000114.3I1347 Q1348 R1354I1347-G1352 PolarHBondContact O-N 3.25Å; Q1348-G1352 VanDerWaalsContact O-CA 3.27Å; Q1348-G1352 WeakPolarHBondContact O-CA 3.44Å; Q1348-G1352 PolarHBondContact O-N 3.17Å; G1352-R1354 PolarHBondContact O-N 3.48Å
1353I88.1Confident89Confident2 Ų252.4 Ų52.41%0.0125%0.248CC..  trans-81.589.4-176.4-47-163.5000109.9Y1325 I1347 L1351 H1358 R1359 L1362Y1325-I1353 HydrophobicContact CD1-CD1 3.79Å; Y1325-I1353 HydrophobicContact CD1-CG1 3.72Å; Y1325-I1353 HydrophobicContact CE1-CB 3.86Å; Y1325-I1353 HydrophobicContact CE1-CD1 3.84Å; Y1325-I1353 HydrophobicContact CE1-CG1 3.42Å; Y1325-I1353 VanDerWaalsContact CE1-CG1 3.42Å; Y1325-I1353 HydrophobicContact CE1-CG2 3.77Å; Y1325-I1353 HydrophobicContact CG-CD1 4.43Å; I1347-I1353 HydrophobicContact CG2-CB 4.09Å; I1347-I1353 HydrophobicContact CG2-CD1 4.03Å; I1347-I1353 HydrophobicContact CG2-CG1 4.16Å; I1347-I1353 PolarHBondContact O-N 3.48Å; L1351-I1353 HydrophobicContact CB-CD1 4.15Å; L1351-I1353 HydrophobicContact CB-CG1 3.76Å; L1351-I1353 HydrophobicContact CD1-CD1 4.38Å; L1351-I1353 PolarHBondContact O-N 3.4Å; I1353-H1358 HydrophobicContact CG2-CB 3.5Å; I1353-H1358 VanDerWaalsContact CG2-CB 3.5Å; I1353-R1359 HydrophobicContact CB-CG 3.81Å; I1353-R1359 HydrophobicContact CG2-CG 3.49Å; I1353-R1359 VanDerWaalsContact CG2-CG 3.49Å; I1353-R1359 WeakPolarHBondContact O-CD 3.4Å; I1353-R1359 WeakPolarHBondContact O-CG 3.28Å; I1353-R1359 PolarHBondContact O-NH1 3.03Å; I1353-L1362 HydrophobicContact CD1-CD2 4Å
1354R86.7Confident89.2Confident197 Ų19751.7 Ų51.774%0.74324%0.241SC*.  trans-72.8-32.6-177.7-63.8-174.2-178.6-166.7-0.1114.7G1352 R1359G1352-R1354 PolarHBondContact O-N 3.48Å; R1354-R1359 PolarHBondContact O-NH1 2.73Å
1355N90Very high89.4Confident35 Ų3549.2 Ų49.219%0.18723%0.229CC..  trans-75.3122.4-178-175.1-25.9000110.7L1357 H1358 R1359N1355-L1357 VanDerWaalsContact C-N 3.3Å; N1355-L1357 PolarHBondContact O-N 3.46Å; N1355-L1357 PolarHBondContact OD1-N 3.28Å; N1355-H1358 HydrophobicContact CB-CB 4.23Å; N1355-H1358 PolarHBondContact ND2-NE2 3.14Å; N1355-H1358 WeakPolarHBondContact O-CB 3.41Å; N1355-H1358 PolarHBondContact O-N 3.04Å; N1355-H1358 VanDerWaalsContact O-N 3.17Å; N1355-R1359 PolarHBondContact O-N 3.05Å
1356P90.7Very high89.6Confident43 Ų4344.4 Ų44.428%0.27921%0.208SC..Hα-helixtrans-60.8-35.2-178.824.8-34.5000113.4H1358 R1359 L1360 H1450P1356-H1358 VanDerWaalsContact C-N 3.29Å; P1356-H1358 PolarHBondContact O-N 2.88Å; P1356-R1359 PolarHBondContact O-N 3.45Å; P1356-L1360 WeakPolarHBondContact O-CB 3.45Å; P1356-L1360 PolarHBondContact O-N 3.42Å; P1356-H1450 WeakPolarHBondContact CG-NE2 3.49Å
1357L94Very high89.5Confident2 Ų248.4 Ų48.41%0.0123%0.225CC..Hα-helixtrans-67.9-31.4178.7-68.8-174000112.1N1355 L1360 K1361 C1432 M1438 L1442 D1446 H1450 L1451N1355-L1357 VanDerWaalsContact C-N 3.3Å; N1355-L1357 PolarHBondContact O-N 3.46Å; N1355-L1357 PolarHBondContact OD1-N 3.28Å; L1357-L1360 HydrophobicContact CD2-CD2 4.25Å; L1357-L1360 PolarHBondContact O-N 2.98Å; L1357-K1361 PolarHBondContact O-N 2.97Å; L1357-C1432 HydrophobicContact CB-CB 4.22Å; L1357-C1432 HydrophobicContact CD1-CB 3.67Å; L1357-M1438 HydrophobicContact CB-CE 3.81Å; L1357-M1438 HydrophobicContact CD2-CE 4.12Å; L1357-M1438 HydrophobicContact CG-CE 4.46Å; L1357-M1438 WeakPolarHBondContact O-CE 3.39Å; L1357-L1442 HydrophobicContact CD2-CD2 3.8Å; L1357-D1446 HydrophobicContact CD2-CB 4.19Å; L1357-H1450 HydrophobicContact CD1-CB 3.61Å; L1357-H1450 HydrophobicContact CG-CB 4.35Å; L1357-L1451 HydrophobicContact CD1-CD1 4.47Å; L1357-L1451 HydrophobicContact CD1-CD2 4.09Å; L1357-L1451 HydrophobicContact CD1-CG 4.15Å
1358H94.7Very high89.4Confident12 Ų1250 Ų506%0.05623%0.232CC..Hα-helixtrans-70.6-38.1175.5-62.4-178.4000111.2Y1325 I1353 N1355 P1356 K1361 L1362 E1431 C1432Y1325-H1358 HydrophobicContact CE2-CB 4.19Å; Y1325-H1358 AromaticContact CE2-ND1 3.33Å; Y1325-H1358 VanDerWaalsContact CE2-ND1 3.33Å; Y1325-H1358 WeakPolarHBondContact CE2-ND1 3.4Å; Y1325-H1358 AromaticContact CZ-ND1 3.47Å; Y1325-H1358 PolarHBondContact OH-ND1 2.96Å; I1353-H1358 HydrophobicContact CG2-CB 3.5Å; I1353-H1358 VanDerWaalsContact CG2-CB 3.5Å; N1355-H1358 HydrophobicContact CB-CB 4.23Å; N1355-H1358 PolarHBondContact ND2-NE2 3.14Å; N1355-H1358 WeakPolarHBondContact O-CB 3.41Å; N1355-H1358 PolarHBondContact O-N 3.04Å; N1355-H1358 VanDerWaalsContact O-N 3.17Å; P1356-H1358 VanDerWaalsContact C-N 3.29Å; P1356-H1358 PolarHBondContact O-N 2.88Å; H1358-K1361 WeakPolarHBondContact O-CB 3.4Å; H1358-K1361 PolarHBondContact O-N 2.97Å; H1358-L1362 PolarHBondContact O-N 3.47Å; H1358-E1431 PolarHBondContact CE1-O 3.42Å; H1358-E1431 VanDerWaalsContact CE1-O 3.3Å; H1358-E1431 PolarHBondContact NE2-O 3.42Å; H1358-C1432 VanDerWaalsContact CD2-C 3.44Å; H1358-C1432 PolarHBondContact CD2-O 3.36Å; H1358-C1432 VanDerWaalsContact NE2-CA 3.25Å; H1358-C1432 WeakPolarHBondContact NE2-CA 3.49Å
1359R94.3Very high89.3Confident19 Ų1945.9 Ų45.97%0.07221%0.213CC..Hα-helixtrans-66.9-43.5174.4-61.3-161.7-61.9-84-5.1111.3E1344 I1347 I1353 R1354 N1355 P1356 K1361 L1362 R1363E1344-R1359 IonicContact OE1-CZ 3.58Å; E1344-R1359 IonicContact OE1-NE 3.77Å; E1344-R1359 PolarHBondContact OE1-NE 3Å; E1344-R1359 IonicContact OE1-NH2 3.74Å; E1344-R1359 PolarHBondContact OE1-NH2 3.17Å; I1347-R1359 HydrophobicContact CB-CG 4.49Å; I1347-R1359 HydrophobicContact CG2-CB 4.09Å; I1347-R1359 HydrophobicContact CG2-CG 3.56Å; I1353-R1359 HydrophobicContact CB-CG 3.81Å; I1353-R1359 HydrophobicContact CG2-CG 3.49Å; I1353-R1359 VanDerWaalsContact CG2-CG 3.49Å; I1353-R1359 WeakPolarHBondContact O-CD 3.4Å; I1353-R1359 WeakPolarHBondContact O-CG 3.28Å; I1353-R1359 PolarHBondContact O-NH1 3.03Å; R1354-R1359 PolarHBondContact O-NH1 2.73Å; N1355-R1359 PolarHBondContact O-N 3.05Å; P1356-R1359 PolarHBondContact O-N 3.45Å; R1359-K1361 VanDerWaalsContact C-N 3.35Å; R1359-K1361 PolarHBondContact O-N 3.26Å; R1359-L1362 PolarHBondContact O-N 3.47Å; R1359-R1363 PolarHBondContact O-N 3.22Å
1360L93.8Very high89.4Confident23 Ų2339.7 Ų39.712%0.1219%0.193CC..Hα-helixtrans-56.4-47.7174.4179.563000111.5P1356 L1357 L1362 R1363 L1364 M1438 H1441P1356-L1360 WeakPolarHBondContact O-CB 3.45Å; P1356-L1360 PolarHBondContact O-N 3.42Å; L1357-L1360 HydrophobicContact CD2-CD2 4.25Å; L1357-L1360 PolarHBondContact O-N 2.98Å; L1360-L1362 VanDerWaalsContact C-N 3.33Å; L1360-L1362 PolarHBondContact O-N 3.34Å; L1360-R1363 PolarHBondContact O-N 3.21Å; L1360-L1364 HydrophobicContact CD1-CD1 3.91Å; L1360-L1364 HydrophobicContact CD1-CD2 4.49Å; L1360-L1364 HydrophobicContact CD1-CG 3.97Å; L1360-L1364 HydrophobicContact CG-CD1 3.93Å; L1360-L1364 HydrophobicContact CG-CG 4.36Å; L1360-L1364 WeakPolarHBondContact O-CG 3.32Å; L1360-L1364 PolarHBondContact O-N 3.16Å; L1360-M1438 HydrophobicContact CD2-CE 4.35Å; L1360-H1441 HydrophobicContact CD2-CB 4.23Å
1361K93.1Very high89.4Confident0 Ų037.4 Ų37.40%019%0.192CC..Hα-helixtrans-54.3-48.9175.7-172.1175.6-177.7174.20112.4V1319 M1321 L1357 H1358 R1359 A1365 H1409 L1433 D1435 M1438V1319-K1361 HydrophobicContact CG1-CG 4.37Å; V1319-K1361 WeakPolarHBondContact O-CE 3.34Å; V1319-K1361 PolarHBondContact O-NZ 3.04Å; M1321-K1361 HydrophobicContact CE-CB 3.91Å; M1321-K1361 HydrophobicContact CE-CD 3.6Å; M1321-K1361 HydrophobicContact CE-CG 3.71Å; M1321-K1361 HydrophobicContact SD-CD 4.44Å; L1357-K1361 PolarHBondContact O-N 2.97Å; H1358-K1361 WeakPolarHBondContact O-CB 3.4Å; H1358-K1361 PolarHBondContact O-N 2.97Å; R1359-K1361 VanDerWaalsContact C-N 3.35Å; R1359-K1361 PolarHBondContact O-N 3.26Å; K1361-A1365 VanDerWaalsContact O-CB 3.3Å; K1361-A1365 WeakPolarHBondContact O-CB 3.39Å; K1361-A1365 PolarHBondContact O-N 3.48Å; K1361-H1409 PolarHBondContact NZ-ND1 3.18Å; K1361-H1409 VanDerWaalsContact NZ-ND1 3.18Å; K1361-L1433 HydrophobicContact CD-CB 4.09Å; K1361-L1433 WeakPolarHBondContact CD-O 3.43Å; K1361-L1433 WeakPolarHBondContact CE-O 3.43Å; K1361-L1433 PolarHBondContact NZ-O 3.21Å; K1361-D1435 VanDerWaalsContact CE-OD2 3.26Å; K1361-D1435 WeakPolarHBondContact CE-OD2 3.45Å; K1361-M1438 HydrophobicContact CB-CE 4.37Å; K1361-M1438 HydrophobicContact CB-CG 4.29Å; K1361-M1438 HydrophobicContact CB-SD 3.49Å; K1361-M1438 WeakPolarHBondContact CB-SD 3.46Å; K1361-M1438 HydrophobicContact CD-SD 4.15Å; K1361-M1438 HydrophobicContact CG-SD 3.83Å
1362L92.6Very high89.4Confident2 Ų237.9 Ų37.91%0.0119%0.194CC..Hα-helixtrans-62.6-47.2-179.2-176.260.3000110.7L1315 M1321 L1339 I1347 L1351 I1353 H1358 R1359 L1360 A1365 V1366L1315-L1362 HydrophobicContact CD2-CD1 3.57Å; M1321-L1362 HydrophobicContact CE-CB 4.06Å; L1339-L1362 HydrophobicContact CD1-CD1 4.38Å; L1339-L1362 HydrophobicContact CD1-CD2 4.13Å; L1339-L1362 HydrophobicContact CD1-CG 4.41Å; I1347-L1362 HydrophobicContact CG2-CD2 4.26Å; L1351-L1362 HydrophobicContact CD1-CD2 3.95Å; I1353-L1362 HydrophobicContact CD1-CD2 4Å; H1358-L1362 PolarHBondContact O-N 3.47Å; R1359-L1362 PolarHBondContact O-N 3.47Å; L1360-L1362 VanDerWaalsContact C-N 3.33Å; L1360-L1362 PolarHBondContact O-N 3.34Å; L1362-A1365 PolarHBondContact O-N 2.93Å; L1362-V1366 HydrophobicContact CD1-CG2 4.42Å; L1362-V1366 VanDerWaalsContact O-CG2 3.28Å; L1362-V1366 WeakPolarHBondContact O-CG2 3.04Å; L1362-V1366 PolarHBondContact O-N 2.89Å
1363R92Very high89.3Confident76 Ų7636 Ų3629%0.28717%0.174SC..Hα-helixtrans-62.2-46.9179.4-75-167.3-70.8109.7-6.9113E1344 I1347 R1359 L1360 A1365 V1366 H1367E1344-R1363 IonicContact OE2-CZ 3.37Å; E1344-R1363 VanDerWaalsContact OE2-CZ 3.31Å; E1344-R1363 IonicContact OE2-NE 2.9Å; E1344-R1363 PolarHBondContact OE2-NE 3.32Å; E1344-R1363 IonicContact OE2-NH2 2.79Å; E1344-R1363 PolarHBondContact OE2-NH2 2.9Å; E1344-R1363 VanDerWaalsContact OE2-NH2 3.16Å; I1347-R1363 HydrophobicContact CD1-CG 3.76Å; R1359-R1363 PolarHBondContact O-N 3.22Å; L1360-R1363 PolarHBondContact O-N 3.21Å; R1363-A1365 VanDerWaalsContact C-N 3.31Å; R1363-A1365 PolarHBondContact O-N 3.48Å; R1363-V1366 PolarHBondContact O-N 3.42Å; R1363-H1367 WeakPolarHBondContact O-CB 3.15Å; R1363-H1367 PolarHBondContact O-N 3.07Å
1364L91.3Very high88.8Confident27 Ų2738.6 Ų38.614%0.14120%0.196CC..Hα-helixtrans-62.2-41.2178.4-68.9176.1000111.1L1360 H1367 E1368 M1438 H1441L1360-L1364 HydrophobicContact CD1-CD1 3.91Å; L1360-L1364 HydrophobicContact CD1-CD2 4.49Å; L1360-L1364 HydrophobicContact CD1-CG 3.97Å; L1360-L1364 HydrophobicContact CG-CD1 3.93Å; L1360-L1364 HydrophobicContact CG-CG 4.36Å; L1360-L1364 WeakPolarHBondContact O-CG 3.32Å; L1360-L1364 PolarHBondContact O-N 3.16Å; L1364-H1367 PolarHBondContact O-N 3.02Å; L1364-E1368 VanDerWaalsContact O-CB 3.27Å; L1364-E1368 WeakPolarHBondContact O-CB 3.39Å; L1364-E1368 PolarHBondContact O-N 3.07Å; L1364-M1438 HydrophobicContact CD1-CG 4.12Å; L1364-H1441 HydrophobicContact CD1-CB 4.29Å
1365A90.4Very high88.1Confident1 Ų132.9 Ų32.91%0.00819%0.186CC..Hα-helixtrans-64.4-41.3176.200000112.6W1314 V1319 K1361 L1362 R1363 M1369W1314-A1365 HydrophobicContact CH2-CB 4.15Å; W1314-A1365 HydrophobicContact CZ2-CB 3.88Å; V1319-A1365 HydrophobicContact CG1-CB 4.01Å; V1319-A1365 HydrophobicContact CG2-CB 3.87Å; K1361-A1365 VanDerWaalsContact O-CB 3.3Å; K1361-A1365 WeakPolarHBondContact O-CB 3.39Å; K1361-A1365 PolarHBondContact O-N 3.48Å; L1362-A1365 PolarHBondContact O-N 2.93Å; R1363-A1365 VanDerWaalsContact C-N 3.31Å; R1363-A1365 PolarHBondContact O-N 3.48Å; A1365-M1369 WeakPolarHBondContact O-CB 3.43Å; A1365-M1369 PolarHBondContact O-N 3.44Å
1366V90.2Very high87.2Confident11 Ų1131.7 Ų31.77%0.06718%0.18CC..Hα-helixtrans-64.2-47.2175.3169.10000110.9F1303 W1314 L1339 A1340 L1362 R1363 E1368 M1369 L1370F1303-V1366 HydrophobicContact CE1-CG1 3.86Å; F1303-V1366 HydrophobicContact CE1-CG2 4.49Å; F1303-V1366 HydrophobicContact CZ-CG1 4.36Å; F1303-V1366 HydrophobicContact CZ-CG2 4.24Å; W1314-V1366 HydrophobicContact CH2-CG2 3.79Å; W1314-V1366 HydrophobicContact CZ3-CG2 4.37Å; L1339-V1366 HydrophobicContact CD1-CG2 4.42Å; L1339-V1366 HydrophobicContact CD2-CG2 3.98Å; L1339-V1366 HydrophobicContact CG-CG2 3.87Å; A1340-V1366 HydrophobicContact CB-CG1 4.25Å; L1362-V1366 HydrophobicContact CD1-CG2 4.42Å; L1362-V1366 VanDerWaalsContact O-CG2 3.28Å; L1362-V1366 WeakPolarHBondContact O-CG2 3.04Å; L1362-V1366 PolarHBondContact O-N 2.89Å; R1363-V1366 PolarHBondContact O-N 3.42Å; V1366-E1368 PolarHBondContact O-N 2.9Å; V1366-M1369 PolarHBondContact O-N 3.49Å; V1366-L1370 HydrophobicContact CG1-CD1 3.86Å; V1366-L1370 HydrophobicContact CG1-CG 4.46Å; V1366-L1370 WeakPolarHBondContact O-CB 3.46Å; V1366-L1370 WeakPolarHBondContact O-CG 3.49Å; V1366-L1370 PolarHBondContact O-N 2.73Å
1367H86.6Confident85.9Confident134 Ų13433.7 Ų33.762%0.6219%0.191SC*.Hα-helixtrans-61.3-45.1179.3-175.379.5000111.9R1363 L1364 M1369 L1370 A1371R1363-H1367 WeakPolarHBondContact O-CB 3.15Å; R1363-H1367 PolarHBondContact O-N 3.07Å; L1364-H1367 PolarHBondContact O-N 3.02Å; H1367-M1369 VanDerWaalsContact C-N 3.34Å; H1367-M1369 PolarHBondContact O-N 3.1Å; H1367-L1370 PolarHBondContact O-N 2.97Å; H1367-A1371 WeakPolarHBondContact O-CB 3.4Å; H1367-A1371 PolarHBondContact O-N 3.3Å
1368E86.1Confident84Confident36 Ų3636.6 Ų36.617%0.16822%0.222CC..Hα-helixtrans-60.6-43.4175.5-175.4-173.8-150.300111.6L1364 V1366 A1371 F1372 L1402 I1403 R1437L1364-E1368 VanDerWaalsContact O-CB 3.27Å; L1364-E1368 WeakPolarHBondContact O-CB 3.39Å; L1364-E1368 PolarHBondContact O-N 3.07Å; V1366-E1368 PolarHBondContact O-N 2.9Å; E1368-A1371 PolarHBondContact O-N 3.42Å; E1368-F1372 WeakPolarHBondContact O-CB 3.39Å; E1368-F1372 PolarHBondContact O-N 3.3Å; E1368-L1402 WeakPolarHBondContact OE1-CB 3.28Å; E1368-I1403 HydrophobicContact CG-CD1 4.48Å; E1368-I1403 HydrophobicContact CG-CG1 3.8Å; E1368-I1403 VanDerWaalsContact OE1-CG1 3.3Å; E1368-I1403 WeakPolarHBondContact OE1-CG1 3.3Å; E1368-I1403 PolarHBondContact OE1-N 2.83Å; E1368-R1437 WeakPolarHBondContact OE2-CD 3.14Å; E1368-R1437 IonicContact OE2-CZ 3.13Å; E1368-R1437 IonicContact OE2-NE 2.95Å; E1368-R1437 IonicContact OE2-NH1 2.79Å; E1368-R1437 PolarHBondContact OE2-NH1 3.42Å; E1368-R1437 VanDerWaalsContact OE2-NH1 3.13Å
1369M86.1Confident81.7Confident3 Ų340.2 Ų40.22%0.01524%0.244CC..Hα-helixtrans-69.1-36.9179.3-17054.570.400112.8F1303 W1306 W1314 W1318 A1365 V1366 H1367 F1372 T1373 I1403F1303-M1369 HydrophobicContact CB-CG 4.26Å; F1303-M1369 HydrophobicContact CD2-CB 3.93Å; F1303-M1369 HydrophobicContact CD2-CG 3.2Å; F1303-M1369 HydrophobicContact CE2-CB 4.1Å; F1303-M1369 HydrophobicContact CE2-CG 3.67Å; F1303-M1369 HydrophobicContact CG-CB 4.43Å; F1303-M1369 HydrophobicContact CG-CG 3.94Å; W1306-M1369 HydrophobicContact CH2-CE 4Å; W1306-M1369 HydrophobicContact CH2-CG 3.91Å; W1306-M1369 HydrophobicContact CH2-SD 3.58Å; W1306-M1369 VanDerWaalsContact CH2-SD 3.58Å; W1306-M1369 HydrophobicContact CZ2-CG 4.46Å; W1306-M1369 HydrophobicContact CZ2-SD 4.09Å; W1306-M1369 HydrophobicContact CZ3-CG 4.2Å; W1306-M1369 HydrophobicContact CZ3-SD 4.37Å; W1314-M1369 HydrophobicContact CZ2-CB 4.18Å; W1318-M1369 HydrophobicContact CE3-CE 3.67Å; W1318-M1369 HydrophobicContact CZ3-CE 3.77Å; A1365-M1369 WeakPolarHBondContact O-CB 3.43Å; A1365-M1369 PolarHBondContact O-N 3.44Å; V1366-M1369 PolarHBondContact O-N 3.49Å; H1367-M1369 VanDerWaalsContact C-N 3.34Å; H1367-M1369 PolarHBondContact O-N 3.1Å; M1369-F1372 PolarHBondContact O-N 3.35Å; M1369-F1372 HydrophobicContact SD-CD1 3.89Å; M1369-T1373 HydrophobicContact CG-CG2 4.36Å; M1369-T1373 WeakPolarHBondContact O-CB 3.34Å; M1369-T1373 WeakPolarHBondContact O-CG2 3.36Å; M1369-T1373 PolarHBondContact O-N 2.82Å; M1369-T1373 PolarHBondContact O-OG1 3.13Å; M1369-T1373 HydrophobicContact SD-CG2 3.94Å; M1369-I1403 HydrophobicContact CE-CG2 3.92Å
1370L85.6Confident78.9Confident54 Ų5444.9 Ų44.928%0.28328%0.275SS..Hα-helixtrans-61.1-47.5171.6-78.4164.5000111F1303 T1304 A1340 V1366 H1367 F1372 T1373 A1374F1303-L1370 HydrophobicContact CB-CD2 4.04Å; F1303-L1370 HydrophobicContact CB-CG 4.46Å; F1303-L1370 HydrophobicContact CD1-CD2 3.79Å; F1303-L1370 HydrophobicContact CD1-CG 3.87Å; F1303-L1370 HydrophobicContact CG-CD2 4.34Å; F1303-L1370 HydrophobicContact CG-CG 4.45Å; T1304-L1370 HydrophobicContact CG2-CD2 4.11Å; A1340-L1370 HydrophobicContact CB-CD1 4.01Å; A1340-L1370 HydrophobicContact CB-CD2 4.46Å; V1366-L1370 HydrophobicContact CG1-CD1 3.86Å; V1366-L1370 HydrophobicContact CG1-CG 4.46Å; V1366-L1370 WeakPolarHBondContact O-CB 3.46Å; V1366-L1370 WeakPolarHBondContact O-CG 3.49Å; V1366-L1370 PolarHBondContact O-N 2.73Å; H1367-L1370 PolarHBondContact O-N 2.97Å; L1370-F1372 PolarHBondContact O-N 3.37Å; L1370-T1373 PolarHBondContact O-OG1 3.5Å; L1370-A1374 WeakPolarHBondContact O-CB 3.48Å; L1370-A1374 PolarHBondContact O-N 2.88Å
1371A82.5Confident76.3Confident57 Ų5749.7 Ų49.747%0.47131%0.308SS..Hα-helixtrans-62.5-43.617800000111.8H1367 E1368 S1375H1367-A1371 WeakPolarHBondContact O-CB 3.4Å; H1367-A1371 PolarHBondContact O-N 3.3Å; E1368-A1371 PolarHBondContact O-N 3.42Å; A1371-S1375 PolarHBondContact O-N 2.99Å; A1371-S1375 VanDerWaalsContact O-N 3.17Å
1372F82.8Confident73.4Confident18 Ų1857.2 Ų57.28%0.07935%0.348CS..Hα-helixtrans-62.8-52177.3175.9-112.4000112.1I1297 E1368 M1369 L1370 A1374 S1375 L1376 A1399 I1403I1297-F1372 HydrophobicContact CD1-CE1 4.45Å; I1297-F1372 HydrophobicContact CG2-CE1 3.92Å; I1297-F1372 HydrophobicContact CG2-CZ 4.24Å; E1368-F1372 WeakPolarHBondContact O-CB 3.39Å; E1368-F1372 PolarHBondContact O-N 3.3Å; M1369-F1372 PolarHBondContact O-N 3.35Å; M1369-F1372 HydrophobicContact SD-CD1 3.89Å; L1370-F1372 PolarHBondContact O-N 3.37Å; F1372-A1374 VanDerWaalsContact C-N 3.35Å; F1372-A1374 PolarHBondContact O-N 2.9Å; F1372-S1375 WeakPolarHBondContact O-CB 3.31Å; F1372-S1375 PolarHBondContact O-N 3.35Å; F1372-S1375 VanDerWaalsContact O-N 3.15Å; F1372-S1375 PolarHBondContact O-OG 3.29Å; F1372-L1376 HydrophobicContact CD1-CD1 4.31Å; F1372-L1376 HydrophobicContact CE1-CD1 3.78Å; F1372-L1376 HydrophobicContact CZ-CD1 3.94Å; F1372-L1376 HydrophobicContact CZ-CD2 4.4Å; F1372-L1376 HydrophobicContact CZ-CG 4.4Å; F1372-L1376 PolarHBondContact O-N 3.3Å; F1372-A1399 HydrophobicContact CD2-CB 4.1Å; F1372-A1399 HydrophobicContact CE2-CB 3.38Å; F1372-A1399 HydrophobicContact CZ-CB 3.66Å; F1372-I1403 HydrophobicContact CB-CD1 3.74Å; F1372-I1403 HydrophobicContact CD1-CD1 4.48Å; F1372-I1403 HydrophobicContact CD1-CG2 4.24Å; F1372-I1403 HydrophobicContact CD2-CD1 3.5Å; F1372-I1403 VanDerWaalsContact CD2-CD1 3.5Å; F1372-I1403 HydrophobicContact CE2-CD1 4.23Å; F1372-I1403 HydrophobicContact CG-CD1 3.65Å; F1372-I1403 HydrophobicContact CG-CG2 4.41Å
1373T83.2Confident70.6Confident4 Ų462.3 Ų62.33%0.02538%0.384CS..Hα-helixtrans-68.1-33.2-178.355.20000112.6F1303 W1306 M1369 L1370 S1375 L1376 T1377F1303-T1373 HydrophobicContact CB-CG2 4.21Å; F1303-T1373 WeakPolarHBondContact CB-OG1 3.31Å; F1303-T1373 PolarHBondContact N-OG1 2.61Å; F1303-T1373 VanDerWaalsContact N-OG1 3.17Å; W1306-T1373 HydrophobicContact CZ2-CG2 4.01Å; M1369-T1373 HydrophobicContact CG-CG2 4.36Å; M1369-T1373 WeakPolarHBondContact O-CB 3.34Å; M1369-T1373 WeakPolarHBondContact O-CG2 3.36Å; M1369-T1373 PolarHBondContact O-N 2.82Å; M1369-T1373 PolarHBondContact O-OG1 3.13Å; M1369-T1373 HydrophobicContact SD-CG2 3.94Å; L1370-T1373 PolarHBondContact O-OG1 3.5Å; T1373-S1375 VanDerWaalsContact C-N 3.31Å; T1373-S1375 PolarHBondContact O-N 3.05Å; T1373-L1376 PolarHBondContact O-N 3.27Å; T1373-T1377 PolarHBondContact O-N 3.18Å
1374A77.8Confident67.6Low57 Ų5764.3 Ų64.347%0.47141%0.405SS..Hα-helixtrans-59.7-42.3171.200000111.6L1370 F1372 L1376 T1377 G1378L1370-A1374 WeakPolarHBondContact O-CB 3.48Å; L1370-A1374 PolarHBondContact O-N 2.88Å; F1372-A1374 VanDerWaalsContact C-N 3.35Å; F1372-A1374 PolarHBondContact O-N 2.9Å; A1374-L1376 VanDerWaalsContact C-N 3.25Å; A1374-L1376 PolarHBondContact O-N 3.43Å; A1374-T1377 PolarHBondContact O-N 3.05Å; A1374-T1377 VanDerWaalsContact O-N 3.16Å; A1374-T1377 PolarHBondContact O-OG1 2.79Å; A1374-G1378 PolarHBondContact O-N 3.26Å
1375S71.7Confident64.8Low76 Ų7671.7 Ų71.753%0.53144%0.436SS..Hα-helixtrans-63.8-27.8178.379.80000113.8A1371 F1372 T1373A1371-S1375 PolarHBondContact O-N 2.99Å; A1371-S1375 VanDerWaalsContact O-N 3.17Å; F1372-S1375 WeakPolarHBondContact O-CB 3.31Å; F1372-S1375 PolarHBondContact O-N 3.35Å; F1372-S1375 VanDerWaalsContact O-N 3.15Å; F1372-S1375 PolarHBondContact O-OG 3.29Å; T1373-S1375 VanDerWaalsContact C-N 3.31Å; T1373-S1375 PolarHBondContact O-N 3.05Å
1376L71.9Confident62.1Low11 Ų1179.4 Ų79.46%0.05848%0.477CS..Hα-helixtrans-72.9-31.9176.3-65173.7000112.4I1297 N1300 F1372 T1373 A1374 Q1395I1297-L1376 HydrophobicContact CG2-CD1 4.17Å; N1300-L1376 HydrophobicContact CB-CB 4.47Å; F1372-L1376 HydrophobicContact CD1-CD1 4.31Å; F1372-L1376 HydrophobicContact CE1-CD1 3.78Å; F1372-L1376 HydrophobicContact CZ-CD1 3.94Å; F1372-L1376 HydrophobicContact CZ-CD2 4.4Å; F1372-L1376 HydrophobicContact CZ-CG 4.4Å; F1372-L1376 PolarHBondContact O-N 3.3Å; T1373-L1376 PolarHBondContact O-N 3.27Å; A1374-L1376 VanDerWaalsContact C-N 3.25Å; A1374-L1376 PolarHBondContact O-N 3.43Å; L1376-Q1395 HydrophobicContact CD2-CB 4.47Å
1377T64.1Low59.3Low85 Ų8582.1 Ų82.152%0.52151%0.507SS..Hα-helixtrans-78.2-20.3-179.163.70000113.6T1373 A1374 T1379T1373-T1377 PolarHBondContact O-N 3.18Å; A1374-T1377 PolarHBondContact O-N 3.05Å; A1374-T1377 VanDerWaalsContact O-N 3.16Å; A1374-T1377 PolarHBondContact O-OG1 2.79Å; T1377-T1379 VanDerWaalsContact C-N 3.35Å; T1377-T1379 PolarHBondContact O-N 2.85Å
1378G52.6Low56.7Low63 Ų6383.9 Ų83.965%0.64952%0.515SS*.THydrogen-bonded Turntrans-79.1-2.5-173.100000116.4A1374 T1380A1374-G1378 PolarHBondContact O-N 3.26Å; G1378-T1380 PolarHBondContact O-N 3.47Å
1379T47.4Very low54.3Low87 Ų8788.5 Ų88.553%0.53455%0.546SS..  trans-85.2104.3178.659.40000110.8T1377T1377-T1379 VanDerWaalsContact C-N 3.35Å; T1377-T1379 PolarHBondContact O-N 2.85Å
1380T34.9Very low51.9Low118 Ų11891.7 Ų91.772%0.72457%0.569SS**  trans-50.7128171.244.50000111.2G1378 N1382G1378-T1380 PolarHBondContact O-N 3.47Å; T1380-N1382 PolarHBondContact O-N 2.88Å
1381P39.3Very low49.7Very low124 Ų12492.7 Ų92.781%0.80558%0.577SS**  trans-76.492.6-176.530.7-32.4000109.6S1383P1381-S1383 VanDerWaalsContact C-N 3.28Å; P1381-S1383 PolarHBondContact O-N 3.45Å
1382N33.1Very low47.6Very low157 Ų15791.9 Ų91.984%0.8457%0.569SS**  trans-71.691.7163.7-91.7-17.5000108.8T1380 T1384T1380-N1382 PolarHBondContact O-N 2.88Å; N1382-T1384 PolarHBondContact O-N 3.21Å; N1382-T1384 VanDerWaalsContact O-N 3.1Å
1383S32.1Very low45.2Very low109 Ų10996 Ų9676%0.76259%0.589SS**  trans-50.6107.6167.7155.60000111.3P1381P1381-S1383 VanDerWaalsContact C-N 3.28Å; P1381-S1383 PolarHBondContact O-N 3.45Å
1384T30.9Very low43.3Very low118 Ų118100.5 Ų100.572%0.72461%0.608SS**  trans-168.2106.3136.57.20000113.5N1382N1382-T1384 PolarHBondContact O-N 3.21Å; N1382-T1384 VanDerWaalsContact O-N 3.1Å
1385K32.2Very low41.6Very low182 Ų182100.7 Ų100.779%0.79160%0.6SS**  trans69.998.8144.2-62.4178-178.9-177.30119.5
1386N32.5Very low40.3Very low164 Ų16498 Ų9888%0.87758%0.579SS**SBend60.985.4129.8-56.6-2.5000117.9
1387G32.1Very low38.9Very low68 Ų68104 Ų10470%0.70161%0.607SS**  trans168.436.2162.600000114.7
1388E31.6Very low37.6Very low170 Ų170105.4 Ų105.479%0.79461%0.61SS**  trans-113.987.1-164.9-69.6179.5160.200113
1389T37Very low37.5Very low133 Ų133102.8 Ų102.882%0.81658%0.582SS**SBendtrans-128.2-7.9148.7520000112.1
1390S34.9Very low38Very low70 Ų70101.5 Ų101.549%0.4958%0.577SS.*Hα-helixtrans-88.3-19.8-176-150.40000113.7K1394S1390-K1394 WeakPolarHBondContact O-CG 3.46Å; S1390-K1394 PolarHBondContact O-N 3.03Å
1391T38.3Very low39.1Very low75 Ų7597 Ų9746%0.4655%0.549SS..Hα-helixtrans-77.4-41.7-173.9-31.50000113K1394 Q1395T1391-K1394 PolarHBondContact O-N 2.89Å; T1391-Q1395 PolarHBondContact O-N 3.48Å
1392S39.3Very low40.1Very low41 Ų4192.3 Ų92.329%0.28752%0.518SS..Hα-helixtrans-68.5-35.4178.8-55.20000112.9Q1395 L1396S1392-Q1395 PolarHBondContact O-N 2.93Å; S1392-L1396 PolarHBondContact O-N 3.08Å
1393M33.2Very low41.3Very low104 Ų10485.2 Ų85.251%0.51248%0.48SS..Hα-helixtrans-72.1-34176.3-146.1-162.4-63.500111.7L1396 H1397M1393-L1396 PolarHBondContact O-N 2.8Å; M1393-H1397 PolarHBondContact O-N 3.24Å; M1393-H1397 VanDerWaalsContact O-N 3.14Å
1394K42.5Very low42.7Very low99 Ų9982.2 Ų82.243%0.4345%0.453SS..Hα-helixtrans-62.9-41.6168.8-75.5178.7-177.8-177.90110.6S1390 T1391 L1396 H1397 L1398 E1656S1390-K1394 WeakPolarHBondContact O-CG 3.46Å; S1390-K1394 PolarHBondContact O-N 3.03Å; T1391-K1394 PolarHBondContact O-N 2.89Å; K1394-L1396 VanDerWaalsContact C-N 3.35Å; K1394-L1396 PolarHBondContact O-N 3.19Å; K1394-H1397 CarbonylContact O-C 3.53Å; K1394-H1397 WeakPolarHBondContact O-CA 3.4Å; K1394-H1397 WeakPolarHBondContact O-CB 3.43Å; K1394-H1397 PolarHBondContact O-N 3.3Å; K1394-L1398 WeakPolarHBondContact O-CD1 3.49Å; K1394-L1398 PolarHBondContact O-N 2.9Å; K1394-L1398 VanDerWaalsContact O-N 3.08Å; K1394-E1656 IonicContact NZ-OE1 2.84Å; K1394-E1656 PolarHBondContact NZ-OE1 2.9Å
1395Q42.8Very low44.4Very low61 Ų6177 Ų7729%0.28542%0.422SS..Hα-helixtrans-62.6-36174.5-84.8177.13.400113.5L1376 T1391 S1392 H1397 L1398 A1399L1376-Q1395 HydrophobicContact CD2-CB 4.47Å; T1391-Q1395 PolarHBondContact O-N 3.48Å; S1392-Q1395 PolarHBondContact O-N 2.93Å; Q1395-H1397 PolarHBondContact O-N 3.33Å; Q1395-L1398 CarbonylContact O-C 3.48Å; Q1395-L1398 WeakPolarHBondContact O-CA 3.35Å; Q1395-L1398 WeakPolarHBondContact O-CB 3.39Å; Q1395-L1398 PolarHBondContact O-N 2.93Å; Q1395-A1399 PolarHBondContact O-N 3.06Å
1396L42.6Very low46.3Very low18 Ų1871.6 Ų71.69%0.09440%0.4CS..Hα-helixtrans-65.2-29.8171.6-146.3160.9000111.5E1294 I1297 W1318 S1392 M1393 K1394 L1398 A1399 K1404E1294-L1396 HydrophobicContact CG-CD1 4.48Å; I1297-L1396 HydrophobicContact CB-CD1 4.39Å; I1297-L1396 HydrophobicContact CG2-CD1 3.96Å; I1297-L1396 HydrophobicContact CG2-CG 4.27Å; W1318-L1396 HydrophobicContact CH2-CD2 4.19Å; W1318-L1396 HydrophobicContact CZ2-CD2 4.44Å; S1392-L1396 PolarHBondContact O-N 3.08Å; M1393-L1396 PolarHBondContact O-N 2.8Å; K1394-L1396 VanDerWaalsContact C-N 3.35Å; K1394-L1396 PolarHBondContact O-N 3.19Å; L1396-L1398 VanDerWaalsContact C-N 3.3Å; L1396-A1399 WeakPolarHBondContact O-CB 3.5Å; L1396-A1399 PolarHBondContact O-N 3.26Å; L1396-K1404 HydrophobicContact CD2-CG 4.33Å; L1396-K1404 WeakPolarHBondContact O-CE 3.3Å
1397H43.3Very low48.7Very low139 Ų13964.1 Ų64.164%0.64436%0.36SS*.Hα-helixtrans-72.7-19.9169.7-124.7-78000113.9M1393 K1394 Q1395M1393-H1397 PolarHBondContact O-N 3.24Å; M1393-H1397 VanDerWaalsContact O-N 3.14Å; K1394-H1397 CarbonylContact O-C 3.53Å; K1394-H1397 WeakPolarHBondContact O-CA 3.4Å; K1394-H1397 WeakPolarHBondContact O-CB 3.43Å; K1394-H1397 PolarHBondContact O-N 3.3Å; Q1395-H1397 PolarHBondContact O-N 3.33Å
1398L37.5Very low51.4Low114 Ų11462.4 Ų62.460%0.59734%0.335SS*.Hα-helixtrans-89.1-16.5171.7-82.499.8000113.3K1394 Q1395 L1396 S1400K1394-L1398 WeakPolarHBondContact O-CD1 3.49Å; K1394-L1398 PolarHBondContact O-N 2.9Å; K1394-L1398 VanDerWaalsContact O-N 3.08Å; Q1395-L1398 CarbonylContact O-C 3.48Å; Q1395-L1398 WeakPolarHBondContact O-CA 3.35Å; Q1395-L1398 WeakPolarHBondContact O-CB 3.39Å; Q1395-L1398 PolarHBondContact O-N 2.93Å; L1396-L1398 VanDerWaalsContact C-N 3.3Å; L1398-S1400 PolarHBondContact O-N 3.26Å
1399A50.1Low54.2Low7 Ų755.2 Ų55.26%0.05830%0.301CS..SBendtrans-55128.4170.100000108.8F1372 Q1395 L1396 I1403F1372-A1399 HydrophobicContact CD2-CB 4.1Å; F1372-A1399 HydrophobicContact CE2-CB 3.38Å; F1372-A1399 HydrophobicContact CZ-CB 3.66Å; Q1395-A1399 PolarHBondContact O-N 3.06Å; L1396-A1399 WeakPolarHBondContact O-CB 3.5Å; L1396-A1399 PolarHBondContact O-N 3.26Å; A1399-I1403 HydrophobicContact CB-CB 4.25Å; A1399-I1403 HydrophobicContact CB-CD1 3.96Å; A1399-I1403 HydrophobicContact CB-CG2 4.3Å
1400S58Low56.8Low61 Ų6154 Ų5443%0.42729%0.286SS..  trans-45137.9177.7-60.50000110.2L1398 L1402 I1403L1398-S1400 PolarHBondContact O-N 3.26Å; S1400-L1402 PolarHBondContact O-N 2.97Å; S1400-I1403 VanDerWaalsContact O-CB 3.28Å; S1400-I1403 WeakPolarHBondContact O-CB 3.25Å; S1400-I1403 PolarHBondContact O-N 2.82Å
1401P57.5Low59.5Low22 Ų2251 Ų5114%0.14326%0.264CS..THydrogen-bonded Turntrans-52.6-27.7-179.7-26.433.2000113.8I1403 K1404 Y1474P1401-I1403 VanDerWaalsContact C-N 3.29Å; P1401-I1403 PolarHBondContact O-N 2.84Å; P1401-K1404 PolarHBondContact O-N 3.03Å; P1401-Y1474 VanDerWaalsContact CB-O 3.23Å; P1401-Y1474 WeakPolarHBondContact CB-O 3.48Å; P1401-Y1474 WeakPolarHBondContact CG-O 3.3Å
1402L61.5Low62.1Low27 Ų2747.4 Ų47.414%0.14124%0.242CC..THydrogen-bonded Turntrans-59.3-34.8172.9-64.2106.5000113.1E1368 S1400 G1405 L1407 A1436 R1437 Y1474E1368-L1402 WeakPolarHBondContact OE1-CB 3.28Å; S1400-L1402 PolarHBondContact O-N 2.97Å; L1402-G1405 PolarHBondContact O-N 3.41Å; L1402-L1407 HydrophobicContact CG-CD1 4.47Å; L1402-A1436 HydrophobicContact CD2-CB 4.25Å; L1402-R1437 HydrophobicContact CB-CG 4.03Å; L1402-R1437 HydrophobicContact CD2-CB 4.25Å; L1402-R1437 HydrophobicContact CD2-CG 3.44Å; L1402-R1437 VanDerWaalsContact CD2-CG 3.44Å; L1402-R1437 HydrophobicContact CG-CG 4.33Å; L1402-Y1474 HydrophobicContact CD1-CD2 4.18Å; L1402-Y1474 HydrophobicContact CD1-CG 3.95Å; L1402-Y1474 HydrophobicContact CD2-CD1 4.39Å; L1402-Y1474 HydrophobicContact CD2-CG 4.44Å; L1402-Y1474 HydrophobicContact CG-CG 4.45Å
1403I58Low64.7Low8 Ų845.4 Ų45.44%0.04123%0.228CC..THydrogen-bonded Turntrans-68.3-41.8179.7-61172.5000110.8W1318 E1368 M1369 F1372 A1399 S1400 P1401 G1405W1318-I1403 HydrophobicContact CE3-CG2 4.05Å; W1318-I1403 HydrophobicContact CZ3-CG2 3.61Å; E1368-I1403 HydrophobicContact CG-CD1 4.48Å; E1368-I1403 HydrophobicContact CG-CG1 3.8Å; E1368-I1403 VanDerWaalsContact OE1-CG1 3.3Å; E1368-I1403 WeakPolarHBondContact OE1-CG1 3.3Å; E1368-I1403 PolarHBondContact OE1-N 2.83Å; M1369-I1403 HydrophobicContact CE-CG2 3.92Å; F1372-I1403 HydrophobicContact CB-CD1 3.74Å; F1372-I1403 HydrophobicContact CD1-CD1 4.48Å; F1372-I1403 HydrophobicContact CD1-CG2 4.24Å; F1372-I1403 HydrophobicContact CD2-CD1 3.5Å; F1372-I1403 VanDerWaalsContact CD2-CD1 3.5Å; F1372-I1403 HydrophobicContact CE2-CD1 4.23Å; F1372-I1403 HydrophobicContact CG-CD1 3.65Å; F1372-I1403 HydrophobicContact CG-CG2 4.41Å; A1399-I1403 HydrophobicContact CB-CB 4.25Å; A1399-I1403 HydrophobicContact CB-CD1 3.96Å; A1399-I1403 HydrophobicContact CB-CG2 4.3Å; S1400-I1403 VanDerWaalsContact O-CB 3.28Å; S1400-I1403 WeakPolarHBondContact O-CB 3.25Å; S1400-I1403 PolarHBondContact O-N 2.82Å; P1401-I1403 VanDerWaalsContact C-N 3.29Å; P1401-I1403 PolarHBondContact O-N 2.84Å; I1403-G1405 PolarHBondContact O-N 3.07Å
1404K60.1Low67.5Low46 Ų4644.1 Ų44.120%0.222%0.223CC..THydrogen-bonded Turntrans-70.1-9.9-179.5-72-177.2179.7176.10113.6L1396 P1401 E1406L1396-K1404 HydrophobicContact CD2-CG 4.33Å; L1396-K1404 WeakPolarHBondContact O-CE 3.3Å; P1401-K1404 PolarHBondContact O-N 3.03Å; K1404-E1406 VanDerWaalsContact C-N 3.26Å; K1404-E1406 HydrophobicContact CB-CG 4.08Å; K1404-E1406 PolarHBondContact O-N 3.42Å
1405G66.7Low69.9Low7 Ų742.8 Ų42.87%0.07222%0.223CC..THydrogen-bonded Turntrans73.114.2-178.800000114.5W1318 L1402 I1403 L1407 N1408W1318-G1405 WeakPolarHBondContact O-CA 3.44Å; L1402-G1405 PolarHBondContact O-N 3.41Å; I1403-G1405 PolarHBondContact O-N 3.07Å; G1405-L1407 PolarHBondContact O-N 2.96Å; G1405-N1408 WeakPolarHBondContact O-CB 3.23Å; G1405-N1408 PolarHBondContact O-N 3.33Å
1406E73Confident72.4Confident70 Ų7040 Ų4033%0.32721%0.21SC..THydrogen-bonded Turntrans-65.1-25.1179.8-68.5179.9-173.500112.4K1404 R1476K1404-E1406 VanDerWaalsContact C-N 3.26Å; K1404-E1406 HydrophobicContact CB-CG 4.08Å; K1404-E1406 PolarHBondContact O-N 3.42Å; E1406-R1476 WeakPolarHBondContact O-CD 3.41Å; E1406-R1476 PolarHBondContact O-NH1 3.15Å
1407L83.2Confident75Confident6 Ų639.1 Ų39.13%0.03121%0.206CC..THydrogen-bonded Turntrans-104.346.1177.7-65.3172.3000112.1L1402 G1405 W1411 A1436 Y1474 R1476L1402-L1407 HydrophobicContact CG-CD1 4.47Å; G1405-L1407 PolarHBondContact O-N 2.96Å; L1407-W1411 HydrophobicContact CD2-CD2 3.98Å; L1407-W1411 HydrophobicContact CD2-CE3 3.41Å; L1407-W1411 VanDerWaalsContact CD2-CE3 3.41Å; L1407-W1411 HydrophobicContact CD2-CH2 3.61Å; L1407-W1411 HydrophobicContact CD2-CZ2 4.16Å; L1407-W1411 HydrophobicContact CD2-CZ3 3.21Å; L1407-A1436 HydrophobicContact CB-CB 3.57Å; L1407-A1436 HydrophobicContact CD1-CB 3.91Å; L1407-A1436 HydrophobicContact CG-CB 4.34Å; L1407-A1436 PolarHBondContact O-N 2.9Å; L1407-Y1474 HydrophobicContact CD1-CD1 4.25Å; L1407-Y1474 HydrophobicContact CD1-CG 4.47Å; L1407-Y1474 WeakPolarHBondContact CD1-O 3.36Å; L1407-R1476 HydrophobicContact CD2-CB 3.86Å; L1407-R1476 HydrophobicContact CD2-CG 4.38Å; L1407-R1476 HydrophobicContact CG-CB 4.37Å
1408N87.7Confident77.4Confident33 Ų3334.2 Ų34.218%0.17619%0.186CC..  trans-70.9174.2177.968.619.6000112.4G1405 E1410 W1411 I1412G1405-N1408 WeakPolarHBondContact O-CB 3.23Å; G1405-N1408 PolarHBondContact O-N 3.33Å; N1408-E1410 PolarHBondContact O-N 3.14Å; N1408-E1410 WeakPolarHBondContact OD1-CA 3.46Å; N1408-E1410 WeakPolarHBondContact OD1-CB 2.95Å; N1408-E1410 PolarHBondContact OD1-N 2.97Å; N1408-E1410 VanDerWaalsContact OD1-N 3.08Å; N1408-W1411 PolarHBondContact O-N 3.04Å; N1408-W1411 VanDerWaalsContact O-N 3.13Å; N1408-W1411 PolarHBondContact OD1-N 2.9Å; N1408-I1412 WeakPolarHBondContact O-CG1 3.38Å; N1408-I1412 PolarHBondContact O-N 3.45Å
1409H91.2Very high80.2Confident18 Ų1829.1 Ų29.18%0.08316%0.16CC..Hα-helixtrans-59.7-29.2177.366.4-65000114.8G1320 K1361 G1413 L1433 V1434G1320-H1409 PolarHBondContact O-CE1 3.13Å; G1320-H1409 PolarHBondContact O-ND1 3.28Å; K1361-H1409 PolarHBondContact NZ-ND1 3.18Å; K1361-H1409 VanDerWaalsContact NZ-ND1 3.18Å; H1409-G1413 PolarHBondContact O-N 3.42Å; H1409-L1433 VanDerWaalsContact CB-C 3.46Å; H1409-L1433 WeakPolarHBondContact CB-O 3.43Å; H1409-L1433 VanDerWaalsContact CD2-CD2 3.48Å; H1409-L1433 WeakPolarHBondContact CD2-CD2 3.49Å; H1409-V1434 WeakPolarHBondContact CA-O 3.38Å; H1409-V1434 VanDerWaalsContact CB-O 3.23Å; H1409-V1434 WeakPolarHBondContact CB-O 3.46Å
1410E91Very high82.4Confident107 Ų10729 Ų2950%0.516%0.158SC..Hα-helixtrans-68.8-41.5173.9-58.9-174.115400111.3N1408 N1414 M1430N1408-E1410 PolarHBondContact O-N 3.14Å; N1408-E1410 WeakPolarHBondContact OD1-CA 3.46Å; N1408-E1410 WeakPolarHBondContact OD1-CB 2.95Å; N1408-E1410 PolarHBondContact OD1-N 2.97Å; N1408-E1410 VanDerWaalsContact OD1-N 3.08Å; E1410-N1414 WeakPolarHBondContact O-CA 3.41Å; E1410-N1414 PolarHBondContact O-N 2.88Å; E1410-N1414 PolarHBondContact O-ND2 3.43Å; E1410-M1430 HydrophobicContact CG-CE 4.25Å
1411W91.5Very high84.2Confident7 Ų726.1 Ų26.13%0.02714%0.139CC..Hα-helixtrans-69.2-43.1175.6-176.585.7000111.3L1407 N1408 V1415 W1416 L1469 R1476 I1479 E1480L1407-W1411 HydrophobicContact CD2-CD2 3.98Å; L1407-W1411 HydrophobicContact CD2-CE3 3.41Å; L1407-W1411 VanDerWaalsContact CD2-CE3 3.41Å; L1407-W1411 HydrophobicContact CD2-CH2 3.61Å; L1407-W1411 HydrophobicContact CD2-CZ2 4.16Å; L1407-W1411 HydrophobicContact CD2-CZ3 3.21Å; N1408-W1411 PolarHBondContact O-N 3.04Å; N1408-W1411 VanDerWaalsContact O-N 3.13Å; N1408-W1411 PolarHBondContact OD1-N 2.9Å; W1411-V1415 HydrophobicContact CG-CB 4.45Å; W1411-V1415 PolarHBondContact O-N 2.98Å; W1411-W1416 HydrophobicContact CD2-CB 4.29Å; W1411-W1416 HydrophobicContact CE3-CB 3.76Å; W1411-W1416 HydrophobicContact CE3-CG 4.41Å; W1411-W1416 HydrophobicContact CH2-CB 3.71Å; W1411-W1416 AromaticContact CH2-CD1 3.6Å; W1411-W1416 AromaticContact CH2-CG 3.83Å; W1411-W1416 HydrophobicContact CH2-CG 3.83Å; W1411-W1416 HydrophobicContact CZ2-CB 4.23Å; W1411-W1416 HydrophobicContact CZ3-CB 3.43Å; W1411-W1416 VanDerWaalsContact CZ3-CB 3.43Å; W1411-W1416 AromaticContact CZ3-CD1 3.84Å; W1411-W1416 HydrophobicContact CZ3-CD2 4.48Å; W1411-W1416 AromaticContact CZ3-CG 3.64Å; W1411-W1416 HydrophobicContact CZ3-CG 3.64Å; W1411-W1416 PolarHBondContact O-N 3.41Å; W1411-L1469 HydrophobicContact CH2-CD2 4.14Å; W1411-L1469 HydrophobicContact CZ3-CD2 4.49Å; W1411-R1476 HydrophobicContact CZ2-CG 4.11Å; W1411-I1479 HydrophobicContact CH2-CG2 4.43Å; W1411-I1479 HydrophobicContact CZ2-CG2 4.22Å; W1411-E1480 PolarHBondContact NE1-OE1 3.23Å
1412I93.6Very high86.1Confident0 Ų025.1 Ų25.10%013%0.132CC..Iπ-helixtrans-58.4-51.8177.6-70.3-64.9000111N1408 W1416 L1417 F1429 A1436 L1439N1408-I1412 WeakPolarHBondContact O-CG1 3.38Å; N1408-I1412 PolarHBondContact O-N 3.45Å; I1412-W1416 HydrophobicContact CD1-CB 4.36Å; I1412-W1416 HydrophobicContact CD1-CD2 4Å; I1412-W1416 HydrophobicContact CD1-CE3 3.67Å; I1412-W1416 HydrophobicContact CD1-CG 4.33Å; I1412-W1416 HydrophobicContact CD1-CZ3 4.24Å; I1412-W1416 HydrophobicContact CG2-CE3 4.02Å; I1412-W1416 HydrophobicContact CG2-CZ3 4.35Å; I1412-L1417 WeakPolarHBondContact O-CB 3.33Å; I1412-L1417 PolarHBondContact O-N 3.26Å; I1412-F1429 HydrophobicContact CG2-CD1 4.06Å; I1412-A1436 HydrophobicContact CD1-CB 4.21Å; I1412-L1439 HydrophobicContact CD1-CD1 3.99Å
1413G93.5Very high87.7Confident0 Ų025.8 Ų25.80%014%0.141CC..Iπ-helixtrans-78.8-36.6179.200000114.2H1409 P1418 R1426H1409-G1413 PolarHBondContact O-N 3.42Å; G1413-P1418 WeakPolarHBondContact O-CD 3.19Å; G1413-R1426 VanDerWaalsContact O-CD 3.26Å; G1413-R1426 WeakPolarHBondContact O-CD 3.38Å; G1413-R1426 VanDerWaalsContact O-CG 3.3Å; G1413-R1426 WeakPolarHBondContact O-CG 3.34Å; G1413-R1426 PolarHBondContact O-NH1 3.2Å
1414N92.7Very high89.4Confident77 Ų7732.2 Ų32.241%0.41217%0.165SC..Iπ-helixtrans-56-57.2175.462.2-161.7000115.4E1410 P1418 R1426E1410-N1414 WeakPolarHBondContact O-CA 3.41Å; E1410-N1414 PolarHBondContact O-N 2.88Å; E1410-N1414 PolarHBondContact O-ND2 3.43Å; N1414-P1418 WeakPolarHBondContact O-CG 3.16Å; N1414-R1426 VanDerWaalsContact N-NH1 3.16Å; N1414-R1426 PolarHBondContact OD1-NH1 3.11Å; N1414-R1426 VanDerWaalsContact OD1-NH1 3.13Å; N1414-R1426 PolarHBondContact OD1-NH2 3.43Å
1415V92.9Very high91.1Very high71 Ų7130.9 Ų30.943%0.4316%0.159SC..Iπ-helixtrans-127-52.7-154.5-178.50000109.1W1411 S1419W1411-V1415 HydrophobicContact CG-CB 4.45Å; W1411-V1415 PolarHBondContact O-N 2.98Å; V1415-S1419 VanDerWaalsContact O-CB 3.28Å; V1415-S1419 WeakPolarHBondContact O-CB 3.5Å; V1415-S1419 PolarHBondContact O-N 3.36Å; V1415-S1419 VanDerWaalsContact O-N 3.08Å; V1415-S1419 PolarHBondContact O-OG 3.08Å
1416W95.1Very high92.5Very high2 Ų234.1 Ų34.11%0.00817%0.169CC..Iπ-helixtrans-71-50-173.5-178.774.5000112.7W1411 I1412 S1419 L1420 L1439 L1462 I1466 L1469W1411-W1416 HydrophobicContact CD2-CB 4.29Å; W1411-W1416 HydrophobicContact CE3-CB 3.76Å; W1411-W1416 HydrophobicContact CE3-CG 4.41Å; W1411-W1416 HydrophobicContact CH2-CB 3.71Å; W1411-W1416 AromaticContact CH2-CD1 3.6Å; W1411-W1416 AromaticContact CH2-CG 3.83Å; W1411-W1416 HydrophobicContact CH2-CG 3.83Å; W1411-W1416 HydrophobicContact CZ2-CB 4.23Å; W1411-W1416 HydrophobicContact CZ3-CB 3.43Å; W1411-W1416 VanDerWaalsContact CZ3-CB 3.43Å; W1411-W1416 AromaticContact CZ3-CD1 3.84Å; W1411-W1416 HydrophobicContact CZ3-CD2 4.48Å; W1411-W1416 AromaticContact CZ3-CG 3.64Å; W1411-W1416 HydrophobicContact CZ3-CG 3.64Å; W1411-W1416 PolarHBondContact O-N 3.41Å; I1412-W1416 HydrophobicContact CD1-CB 4.36Å; I1412-W1416 HydrophobicContact CD1-CD2 4Å; I1412-W1416 HydrophobicContact CD1-CE3 3.67Å; I1412-W1416 HydrophobicContact CD1-CG 4.33Å; I1412-W1416 HydrophobicContact CD1-CZ3 4.24Å; I1412-W1416 HydrophobicContact CG2-CE3 4.02Å; I1412-W1416 HydrophobicContact CG2-CZ3 4.35Å; W1416-S1419 WeakPolarHBondContact O-CA 3.38Å; W1416-S1419 WeakPolarHBondContact O-CB 3.2Å; W1416-S1419 PolarHBondContact O-N 3.09Å; W1416-S1419 PolarHBondContact O-OG 3.4Å; W1416-L1420 HydrophobicContact CD2-CD1 4.27Å; W1416-L1420 HydrophobicContact CE3-CD1 4.37Å; W1416-L1420 HydrophobicContact CH2-CD1 3.85Å; W1416-L1420 HydrophobicContact CZ2-CD1 3.72Å; W1416-L1420 HydrophobicContact CZ3-CD1 4.17Å; W1416-L1420 PolarHBondContact O-N 2.89Å; W1416-L1439 HydrophobicContact CH2-CD1 3.66Å; W1416-L1439 HydrophobicContact CH2-CD2 4.15Å; W1416-L1439 HydrophobicContact CZ2-CD1 4.26Å; W1416-L1439 HydrophobicContact CZ3-CD1 3.84Å; W1416-L1439 HydrophobicContact CZ3-CD2 3.93Å; W1416-L1462 HydrophobicContact CH2-CD1 3.74Å; W1416-L1462 HydrophobicContact CZ3-CD1 3.81Å; W1416-I1466 HydrophobicContact CH2-CG1 3.92Å; W1416-I1466 HydrophobicContact CZ2-CG1 4.43Å; W1416-L1469 HydrophobicContact CD2-CD1 4.12Å; W1416-L1469 HydrophobicContact CH2-CD1 4.15Å; W1416-L1469 HydrophobicContact CZ2-CD1 3.38Å; W1416-L1469 HydrophobicContact CZ2-CG 3.92Å
1417L96.2Very high93.5Very high0 Ų034.5 Ų34.50%018%0.18CC..Hα-helixtrans-63.4-44-178.3-169.676.3000112.6I1412 S1419 L1420 L1422 R1426 F1429 L1462I1412-L1417 WeakPolarHBondContact O-CB 3.33Å; I1412-L1417 PolarHBondContact O-N 3.26Å; L1417-S1419 VanDerWaalsContact C-N 3.29Å; L1417-S1419 PolarHBondContact O-N 2.9Å; L1417-L1420 PolarHBondContact O-N 3.42Å; L1417-L1420 VanDerWaalsContact O-N 3.15Å; L1417-L1422 HydrophobicContact CD1-CB 3.8Å; L1417-L1422 HydrophobicContact CD1-CD1 4.22Å; L1417-L1422 HydrophobicContact CG-CB 3.94Å; L1417-L1422 WeakPolarHBondContact CG-O 3.23Å; L1417-L1422 PolarHBondContact O-N 3.08Å; L1417-L1422 VanDerWaalsContact O-N 3.15Å; L1417-R1426 HydrophobicContact CD2-CB 4.48Å; L1417-F1429 HydrophobicContact CD1-CE1 4.41Å; L1417-F1429 HydrophobicContact CD1-CZ 4.33Å; L1417-F1429 HydrophobicContact CD2-CB 4.22Å; L1417-F1429 HydrophobicContact CD2-CD1 4.38Å; L1417-F1429 HydrophobicContact CD2-CD2 3.94Å; L1417-F1429 HydrophobicContact CD2-CE2 4.41Å; L1417-F1429 HydrophobicContact CD2-CG 3.92Å; L1417-L1462 HydrophobicContact CD1-CD1 4.1Å
1418P95.6Very high94.1Very high35 Ų3534.4 Ų34.423%0.22718%0.179CC..Hα-helixtrans-60-36.1169-26.938000113.3G1413 N1414 L1420 G1421 A1423G1413-P1418 WeakPolarHBondContact O-CD 3.19Å; N1414-P1418 WeakPolarHBondContact O-CG 3.16Å; P1418-L1420 PolarHBondContact O-N 2.8Å; P1418-G1421 WeakPolarHBondContact O-CA 3.38Å; P1418-G1421 PolarHBondContact O-N 3.47Å; P1418-A1423 HydrophobicContact CB-CB 4.04Å; P1418-A1423 HydrophobicContact CG-CB 4.14Å
1419S95.6Very high94.5Very high8 Ų832.9 Ų32.96%0.05617%0.171CC..Hα-helixtrans-65.4-18.2177.280.20000114.2V1415 W1416 L1417 G1421 R1483 S1497 N1498V1415-S1419 VanDerWaalsContact O-CB 3.28Å; V1415-S1419 WeakPolarHBondContact O-CB 3.5Å; V1415-S1419 PolarHBondContact O-N 3.36Å; V1415-S1419 VanDerWaalsContact O-N 3.08Å; V1415-S1419 PolarHBondContact O-OG 3.08Å; W1416-S1419 WeakPolarHBondContact O-CA 3.38Å; W1416-S1419 WeakPolarHBondContact O-CB 3.2Å; W1416-S1419 PolarHBondContact O-N 3.09Å; W1416-S1419 PolarHBondContact O-OG 3.4Å; L1417-S1419 VanDerWaalsContact C-N 3.29Å; L1417-S1419 PolarHBondContact O-N 2.9Å; S1419-G1421 VanDerWaalsContact C-N 3.33Å; S1419-R1483 VanDerWaalsContact CB-NH1 3.35Å; S1419-R1483 PolarHBondContact OG-NH1 3.35Å; S1419-R1483 PolarHBondContact OG-NH2 2.98Å; S1419-S1497 CarbonylContact O-C 3.49Å; S1419-S1497 VanDerWaalsContact O-CA 3.26Å; S1419-S1497 WeakPolarHBondContact O-CA 3.47Å; S1419-N1498 PolarHBondContact O-N 3.2Å
1420L96.8Very high94.7Very high3 Ų334 Ų342%0.01618%0.177CC..THydrogen-bonded Turntrans-86.8-4.5171.4-56.9-177.2000112.7W1416 L1417 P1418 L1422 L1462 G1521 H1523W1416-L1420 HydrophobicContact CD2-CD1 4.27Å; W1416-L1420 HydrophobicContact CE3-CD1 4.37Å; W1416-L1420 HydrophobicContact CH2-CD1 3.85Å; W1416-L1420 HydrophobicContact CZ2-CD1 3.72Å; W1416-L1420 HydrophobicContact CZ3-CD1 4.17Å; W1416-L1420 PolarHBondContact O-N 2.89Å; L1417-L1420 PolarHBondContact O-N 3.42Å; L1417-L1420 VanDerWaalsContact O-N 3.15Å; P1418-L1420 PolarHBondContact O-N 2.8Å; L1420-L1422 HydrophobicContact CB-CD1 4.28Å; L1420-L1422 HydrophobicContact CB-CG 4.26Å; L1420-L1422 HydrophobicContact CD1-CD1 4.48Å; L1420-L1462 HydrophobicContact CD1-CD1 4.37Å; L1420-G1521 CarbonylContact O-C 3.15Å; L1420-G1521 VanDerWaalsContact O-CA 3.28Å; L1420-G1521 WeakPolarHBondContact O-CA 3.4Å; L1420-H1523 HydrophobicContact CD2-CB 4.46Å
1421G95.4Very high94.8Very high2 Ų235.1 Ų35.12%0.02118%0.182CC..THydrogen-bonded Turntrans75.129.4-170.800000112.5P1418 S1419 D1519 S1520 G1521P1418-G1421 WeakPolarHBondContact O-CA 3.38Å; P1418-G1421 PolarHBondContact O-N 3.47Å; S1419-G1421 VanDerWaalsContact C-N 3.33Å; G1421-D1519 CarbonylContact O-C 3.13Å; G1421-D1519 WeakPolarHBondContact O-CA 3.38Å; G1421-S1520 PolarHBondContact O-N 2.9Å; G1421-G1521 WeakPolarHBondContact O-CA 3.43Å; G1421-G1521 PolarHBondContact O-N 3.5Å
1422L96.7Very high95Very high0 Ų035 Ų350%018%0.182CC..  trans-118.330.9-178.7-66.3179000111.9L1417 L1420 R1424 Y1425 H1458 L1462L1417-L1422 HydrophobicContact CD1-CB 3.8Å; L1417-L1422 HydrophobicContact CD1-CD1 4.22Å; L1417-L1422 HydrophobicContact CG-CB 3.94Å; L1417-L1422 WeakPolarHBondContact CG-O 3.23Å; L1417-L1422 PolarHBondContact O-N 3.08Å; L1417-L1422 VanDerWaalsContact O-N 3.15Å; L1420-L1422 HydrophobicContact CB-CD1 4.28Å; L1420-L1422 HydrophobicContact CB-CG 4.26Å; L1420-L1422 HydrophobicContact CD1-CD1 4.48Å; L1422-R1424 PolarHBondContact O-N 3.4Å; L1422-R1424 VanDerWaalsContact O-N 3.17Å; L1422-Y1425 HydrophobicContact CB-CD2 4.19Å; L1422-Y1425 HydrophobicContact CD2-CD2 4.23Å; L1422-Y1425 HydrophobicContact CD2-CE2 4.08Å; L1422-Y1425 PolarHBondContact O-N 2.93Å; L1422-Y1425 VanDerWaalsContact O-N 3.13Å; L1422-H1458 HydrophobicContact CD2-CB 3.74Å; L1422-L1462 HydrophobicContact CD1-CB 4.09Å; L1422-L1462 HydrophobicContact CD1-CD1 4.5Å
1423A94.6Very high95Very high41 Ų4135.5 Ų35.534%0.33919%0.185SC..G310 helixtrans-60.7-28.5-173.700000112.7P1418 Y1425 R1426 D1519P1418-A1423 HydrophobicContact CB-CB 4.04Å; P1418-A1423 HydrophobicContact CG-CB 4.14Å; A1423-Y1425 PolarHBondContact O-N 3.38Å; A1423-Y1425 VanDerWaalsContact O-N 3.15Å; A1423-R1426 WeakPolarHBondContact O-CB 3.49Å; A1423-R1426 PolarHBondContact O-N 3.27Å; A1423-D1519 WeakPolarHBondContact CA-OD1 3.38Å; A1423-D1519 WeakPolarHBondContact CB-OD1 3.36Å; A1423-D1519 PolarHBondContact N-OD1 2.95Å; A1423-D1519 VanDerWaalsContact N-OD1 3.12Å
1424R93.8Very high95.1Very high144 Ų14435.5 Ų35.554%0.54319%0.185SC..G310 helixtrans-56.2-27.9175.177.8-168.3-31.3-150.64.1115.5L1422 R1426 D1519L1422-R1424 PolarHBondContact O-N 3.4Å; L1422-R1424 VanDerWaalsContact O-N 3.17Å; R1424-R1426 VanDerWaalsContact C-N 3.32Å; R1424-D1519 HydrophobicContact CB-CB 4.48Å; R1424-D1519 PolarHBondContact N-OD1 3.44Å
1425Y96.5Very high95Very high18 Ų1831.9 Ų31.97%0.07117%0.165CC..G310 helixtrans-89.9-0.7179.7-58.7-69.6000113.1L1422 A1423 S1427 S1428 F1429 K1452 M1453 H1458L1422-Y1425 HydrophobicContact CB-CD2 4.19Å; L1422-Y1425 HydrophobicContact CD2-CD2 4.23Å; L1422-Y1425 HydrophobicContact CD2-CE2 4.08Å; L1422-Y1425 PolarHBondContact O-N 2.93Å; L1422-Y1425 VanDerWaalsContact O-N 3.13Å; A1423-Y1425 PolarHBondContact O-N 3.38Å; A1423-Y1425 VanDerWaalsContact O-N 3.15Å; Y1425-S1427 VanDerWaalsContact C-N 3.32Å; Y1425-S1427 PolarHBondContact O-N 3.38Å; Y1425-S1428 PolarHBondContact O-N 3.42Å; Y1425-F1429 WeakPolarHBondContact O-CD2 3.15Å; Y1425-F1429 PolarHBondContact O-N 3.01Å; Y1425-F1429 VanDerWaalsContact O-N 3.07Å; Y1425-K1452 WeakPolarHBondContact CE1-O 3.49Å; Y1425-M1453 HydrophobicContact CD1-CB 4.15Å; Y1425-M1453 HydrophobicContact CD1-CE 4.28Å; Y1425-M1453 HydrophobicContact CD1-CG 4.33Å; Y1425-M1453 HydrophobicContact CD2-CE 3.58Å; Y1425-M1453 HydrophobicContact CD2-CG 4.36Å; Y1425-M1453 HydrophobicContact CE1-CB 3.98Å; Y1425-M1453 HydrophobicContact CE1-CG 3.99Å; Y1425-M1453 HydrophobicContact CE2-CE 4.09Å; Y1425-M1453 HydrophobicContact CE2-CG 3.99Å; Y1425-M1453 HydrophobicContact CG-CE 3.67Å; Y1425-H1458 HydrophobicContact CE2-CB 3.95Å; Y1425-H1458 AromaticContact CE2-CG 3.88Å; Y1425-H1458 AromaticContact CE2-ND1 3.37Å; Y1425-H1458 WeakPolarHBondContact CE2-ND1 3.4Å; Y1425-H1458 AromaticContact CZ-ND1 3.52Å; Y1425-H1458 PolarHBondContact OH-ND1 2.81Å
1426R96.3Very high94.9Very high74 Ų7428.5 Ų28.528%0.27915%0.145SC..Hα-helixtrans-53.1-46.8-176.6173.7175.2159.14518.8112.9G1413 N1414 L1417 A1423 R1424 S1428 F1429 M1430G1413-R1426 VanDerWaalsContact O-CD 3.26Å; G1413-R1426 WeakPolarHBondContact O-CD 3.38Å; G1413-R1426 VanDerWaalsContact O-CG 3.3Å; G1413-R1426 WeakPolarHBondContact O-CG 3.34Å; G1413-R1426 PolarHBondContact O-NH1 3.2Å; N1414-R1426 VanDerWaalsContact N-NH1 3.16Å; N1414-R1426 PolarHBondContact OD1-NH1 3.11Å; N1414-R1426 VanDerWaalsContact OD1-NH1 3.13Å; N1414-R1426 PolarHBondContact OD1-NH2 3.43Å; L1417-R1426 HydrophobicContact CD2-CB 4.48Å; A1423-R1426 WeakPolarHBondContact O-CB 3.49Å; A1423-R1426 PolarHBondContact O-N 3.27Å; R1424-R1426 VanDerWaalsContact C-N 3.32Å; R1426-S1428 PolarHBondContact O-N 3Å; R1426-F1429 PolarHBondContact O-N 3.09Å; R1426-M1430 HydrophobicContact CG-CG 4.24Å; R1426-M1430 PolarHBondContact NH1-SD 2.94Å; R1426-M1430 WeakPolarHBondContact O-CB 3.03Å; R1426-M1430 VanDerWaalsContact O-CG 3.23Å; R1426-M1430 WeakPolarHBondContact O-CG 3.36Å; R1426-M1430 PolarHBondContact O-N 2.88Å
1427S94.7Very high94.6Very high79 Ų7929.4 Ų29.455%0.55215%0.149SC*.Hα-helixtrans-59.1-47.4-177.751.70000111.2Y1425 M1430 E1431Y1425-S1427 VanDerWaalsContact C-N 3.32Å; Y1425-S1427 PolarHBondContact O-N 3.38Å; S1427-M1430 PolarHBondContact O-N 3.14Å; S1427-E1431 VanDerWaalsContact O-CB 3.24Å; S1427-E1431 WeakPolarHBondContact O-CB 3.4Å; S1427-E1431 PolarHBondContact O-N 2.81Å
1428S95.3Very high94.5Very high4 Ų429.4 Ų29.43%0.02815%0.149CC..Hα-helixtrans-66.6-37.7178.9-56.40000113.1Y1425 R1426 C1432Y1425-S1428 PolarHBondContact O-N 3.42Å; R1426-S1428 PolarHBondContact O-N 3Å; S1428-C1432 VanDerWaalsContact O-CB 3.28Å; S1428-C1432 WeakPolarHBondContact O-CB 3.14Å; S1428-C1432 PolarHBondContact O-N 3.02Å; S1428-C1432 PolarHBondContact O-SG 2.86Å
1429F96.3Very high94.3Very high1 Ų127.7 Ų27.70%0.00414%0.138CC..Hα-helixtrans-65.9-39.5174.5-88.7-112.4000112.4I1412 L1417 Y1425 R1426 L1433 V1434 L1439 L1451 M1453 L1462I1412-F1429 HydrophobicContact CG2-CD1 4.06Å; L1417-F1429 HydrophobicContact CD1-CE1 4.41Å; L1417-F1429 HydrophobicContact CD1-CZ 4.33Å; L1417-F1429 HydrophobicContact CD2-CB 4.22Å; L1417-F1429 HydrophobicContact CD2-CD1 4.38Å; L1417-F1429 HydrophobicContact CD2-CD2 3.94Å; L1417-F1429 HydrophobicContact CD2-CE2 4.41Å; L1417-F1429 HydrophobicContact CD2-CG 3.92Å; Y1425-F1429 WeakPolarHBondContact O-CD2 3.15Å; Y1425-F1429 PolarHBondContact O-N 3.01Å; Y1425-F1429 VanDerWaalsContact O-N 3.07Å; R1426-F1429 PolarHBondContact O-N 3.09Å; F1429-L1433 PolarHBondContact O-N 3.11Å; F1429-L1433 VanDerWaalsContact O-N 3.1Å; F1429-V1434 HydrophobicContact CD1-CB 3.7Å; F1429-V1434 HydrophobicContact CD1-CG1 3.75Å; F1429-V1434 HydrophobicContact CD1-CG2 4.09Å; F1429-V1434 HydrophobicContact CE1-CB 4.29Å; F1429-V1434 HydrophobicContact CE1-CG1 3.87Å; F1429-V1434 HydrophobicContact CG-CB 4.36Å; F1429-V1434 HydrophobicContact CG-CG2 4.43Å; F1429-V1434 PolarHBondContact O-N 3.12Å; F1429-L1439 HydrophobicContact CE1-CD2 4.41Å; F1429-L1451 HydrophobicContact CD2-CB 4.33Å; F1429-L1451 HydrophobicContact CD2-CD1 4.44Å; F1429-L1451 HydrophobicContact CD2-CD2 3.92Å; F1429-L1451 HydrophobicContact CD2-CG 4.46Å; F1429-L1451 HydrophobicContact CE1-CD1 4.38Å; F1429-L1451 HydrophobicContact CE2-CB 3.95Å; F1429-L1451 HydrophobicContact CE2-CD1 3.88Å; F1429-L1451 HydrophobicContact CE2-CD2 4.16Å; F1429-L1451 HydrophobicContact CE2-CG 4.21Å; F1429-L1451 HydrophobicContact CG-CD2 4.28Å; F1429-L1451 HydrophobicContact CZ-CD1 3.84Å; F1429-M1453 HydrophobicContact CE2-CE 3.74Å; F1429-M1453 HydrophobicContact CZ-CE 4.08Å; F1429-L1462 HydrophobicContact CZ-CD1 4.38Å; F1429-L1462 HydrophobicContact CZ-CD2 4.01Å
1430M94.1Very high93.8Very high41 Ų4129.3 Ų29.320%0.20215%0.149CC..Hα-helixtrans-70.5-42.6176.2-68.7-66.4-65.500111.7E1410 R1426 S1427 C1432 L1433E1410-M1430 HydrophobicContact CG-CE 4.25Å; R1426-M1430 HydrophobicContact CG-CG 4.24Å; R1426-M1430 PolarHBondContact NH1-SD 2.94Å; R1426-M1430 WeakPolarHBondContact O-CB 3.03Å; R1426-M1430 VanDerWaalsContact O-CG 3.23Å; R1426-M1430 WeakPolarHBondContact O-CG 3.36Å; R1426-M1430 PolarHBondContact O-N 2.88Å; S1427-M1430 PolarHBondContact O-N 3.14Å; M1430-C1432 VanDerWaalsContact C-N 3.32Å; M1430-C1432 PolarHBondContact O-N 3.33Å; M1430-L1433 PolarHBondContact O-N 2.97Å; M1430-L1433 VanDerWaalsContact O-N 3.13Å
1431E94Very high93.4Very high130 Ų13032.8 Ų32.861%0.60717%0.165SC*.Hα-helixtrans-62.6-40.3177.7-175.4-179.1-177.800111.5H1358 S1427 L1433H1358-E1431 PolarHBondContact CE1-O 3.42Å; H1358-E1431 VanDerWaalsContact CE1-O 3.3Å; H1358-E1431 PolarHBondContact NE2-O 3.42Å; S1427-E1431 VanDerWaalsContact O-CB 3.24Å; S1427-E1431 WeakPolarHBondContact O-CB 3.4Å; S1427-E1431 PolarHBondContact O-N 2.81Å; E1431-L1433 VanDerWaalsContact C-N 3.29Å
1432C95Very high93.2Very high5 Ų532.9 Ų32.93%0.03417%0.165CC..THydrogen-bonded Turntrans-86.36.4176-66.30000114L1357 H1358 S1428 M1430 V1434 L1451L1357-C1432 HydrophobicContact CB-CB 4.22Å; L1357-C1432 HydrophobicContact CD1-CB 3.67Å; H1358-C1432 VanDerWaalsContact CD2-C 3.44Å; H1358-C1432 PolarHBondContact CD2-O 3.36Å; H1358-C1432 VanDerWaalsContact NE2-CA 3.25Å; H1358-C1432 WeakPolarHBondContact NE2-CA 3.49Å; S1428-C1432 VanDerWaalsContact O-CB 3.28Å; S1428-C1432 WeakPolarHBondContact O-CB 3.14Å; S1428-C1432 PolarHBondContact O-N 3.02Å; S1428-C1432 PolarHBondContact O-SG 2.86Å; M1430-C1432 VanDerWaalsContact C-N 3.32Å; M1430-C1432 PolarHBondContact O-N 3.33Å; C1432-V1434 HydrophobicContact CB-CG2 4.01Å; C1432-V1434 PolarHBondContact O-N 2.82Å; C1432-V1434 VanDerWaalsContact O-N 3.12Å; C1432-L1451 HydrophobicContact CB-CD2 3.8Å
1433L94.7Very high92.8Very high11 Ų1135 Ų356%0.05818%0.178CC..THydrogen-bonded Turntrans52.930.3177.8-57.9174.8000115.1M1321 P1322 Y1325 K1361 H1409 F1429 M1430 E1431 D1435M1321-L1433 HydrophobicContact SD-CD1 4.26Å; P1322-L1433 HydrophobicContact CG-CD1 3.75Å; P1322-L1433 HydrophobicContact CG-CD2 3.88Å; P1322-L1433 HydrophobicContact CG-CG 4.48Å; Y1325-L1433 HydrophobicContact CD2-CD1 4.24Å; Y1325-L1433 HydrophobicContact CE2-CD1 3.98Å; K1361-L1433 HydrophobicContact CD-CB 4.09Å; K1361-L1433 WeakPolarHBondContact CD-O 3.43Å; K1361-L1433 WeakPolarHBondContact CE-O 3.43Å; K1361-L1433 PolarHBondContact NZ-O 3.21Å; H1409-L1433 VanDerWaalsContact CB-C 3.46Å; H1409-L1433 WeakPolarHBondContact CB-O 3.43Å; H1409-L1433 VanDerWaalsContact CD2-CD2 3.48Å; H1409-L1433 WeakPolarHBondContact CD2-CD2 3.49Å; F1429-L1433 PolarHBondContact O-N 3.11Å; F1429-L1433 VanDerWaalsContact O-N 3.1Å; M1430-L1433 PolarHBondContact O-N 2.97Å; M1430-L1433 VanDerWaalsContact O-N 3.13Å; E1431-L1433 VanDerWaalsContact C-N 3.29Å; L1433-D1435 PolarHBondContact O-N 3.29Å
1434V94.2Very high92.4Very high0 Ų034.9 Ų34.90%017%0.17CC..  trans-63.8120.9-172.6-1790000111.7H1409 F1429 C1432 M1438 L1439 L1442 L1451H1409-V1434 WeakPolarHBondContact CA-O 3.38Å; H1409-V1434 VanDerWaalsContact CB-O 3.23Å; H1409-V1434 WeakPolarHBondContact CB-O 3.46Å; F1429-V1434 HydrophobicContact CD1-CB 3.7Å; F1429-V1434 HydrophobicContact CD1-CG1 3.75Å; F1429-V1434 HydrophobicContact CD1-CG2 4.09Å; F1429-V1434 HydrophobicContact CE1-CB 4.29Å; F1429-V1434 HydrophobicContact CE1-CG1 3.87Å; F1429-V1434 HydrophobicContact CG-CB 4.36Å; F1429-V1434 HydrophobicContact CG-CG2 4.43Å; F1429-V1434 PolarHBondContact O-N 3.12Å; C1432-V1434 HydrophobicContact CB-CG2 4.01Å; C1432-V1434 PolarHBondContact O-N 2.82Å; C1432-V1434 VanDerWaalsContact O-N 3.12Å; V1434-M1438 HydrophobicContact CG1-CB 4.31Å; V1434-M1438 HydrophobicContact CG2-CE 4.31Å; V1434-L1439 HydrophobicContact CG1-CD2 4.16Å; V1434-L1442 HydrophobicContact CG1-CD1 4.06Å; V1434-L1451 HydrophobicContact CG2-CD1 4.23Å; V1434-L1451 HydrophobicContact CG2-CD2 3.69Å
1435D92Very high92Very high0 Ų036 Ų360%017%0.174CC..  trans-110.6177.4174.473.219.1000112.7K1361 L1433 R1437 M1438 L1439K1361-D1435 VanDerWaalsContact CE-OD2 3.26Å; K1361-D1435 WeakPolarHBondContact CE-OD2 3.45Å; L1433-D1435 PolarHBondContact O-N 3.29Å; D1435-R1437 PolarHBondContact O-N 2.99Å; D1435-R1437 WeakPolarHBondContact OD1-CB 3.39Å; D1435-R1437 PolarHBondContact OD1-N 3.36Å; D1435-R1437 IonicContact OD1-NE 3.41Å; D1435-R1437 IonicContact OD2-CZ 3.62Å; D1435-R1437 VanDerWaalsContact OD2-CZ 3.28Å; D1435-R1437 IonicContact OD2-NE 3.98Å; D1435-R1437 PolarHBondContact OD2-NE 3.44Å; D1435-R1437 IonicContact OD2-NH2 3.73Å; D1435-R1437 PolarHBondContact OD2-NH2 3.28Å; D1435-M1438 PolarHBondContact O-N 2.86Å; D1435-M1438 WeakPolarHBondContact OD1-CG 3.34Å; D1435-M1438 PolarHBondContact OD1-N 2.93Å; D1435-M1438 VanDerWaalsContact OD1-N 3.16Å; D1435-L1439 PolarHBondContact O-N 3.28Å
1436A90.7Very high91.8Very high1 Ų136.2 Ų36.21%0.00818%0.177CC..THydrogen-bonded Turntrans-62.5-27-17700000114.6L1402 L1407 I1412 M1438 L1439 Y1474L1402-A1436 HydrophobicContact CD2-CB 4.25Å; L1407-A1436 HydrophobicContact CB-CB 3.57Å; L1407-A1436 HydrophobicContact CD1-CB 3.91Å; L1407-A1436 HydrophobicContact CG-CB 4.34Å; L1407-A1436 PolarHBondContact O-N 2.9Å; I1412-A1436 HydrophobicContact CD1-CB 4.21Å; A1436-M1438 VanDerWaalsContact C-N 3.33Å; A1436-L1439 HydrophobicContact CB-CD1 4.43Å; A1436-L1439 PolarHBondContact O-N 2.9Å; A1436-Y1474 HydrophobicContact CB-CD1 4.12Å; A1436-Y1474 HydrophobicContact CB-CE1 4.39Å
1437R87.9Confident91.7Very high20 Ų2033.3 Ų33.38%0.07517%0.166CC..THydrogen-bonded Turntrans-69.8-37.5179.7-61.6171-71.1-148.3-11.3110.4E1368 L1402 D1435 L1439 H1441E1368-R1437 WeakPolarHBondContact OE2-CD 3.14Å; E1368-R1437 IonicContact OE2-CZ 3.13Å; E1368-R1437 IonicContact OE2-NE 2.95Å; E1368-R1437 IonicContact OE2-NH1 2.79Å; E1368-R1437 PolarHBondContact OE2-NH1 3.42Å; E1368-R1437 VanDerWaalsContact OE2-NH1 3.13Å; L1402-R1437 HydrophobicContact CB-CG 4.03Å; L1402-R1437 HydrophobicContact CD2-CB 4.25Å; L1402-R1437 HydrophobicContact CD2-CG 3.44Å; L1402-R1437 VanDerWaalsContact CD2-CG 3.44Å; L1402-R1437 HydrophobicContact CG-CG 4.33Å; D1435-R1437 PolarHBondContact O-N 2.99Å; D1435-R1437 WeakPolarHBondContact OD1-CB 3.39Å; D1435-R1437 PolarHBondContact OD1-N 3.36Å; D1435-R1437 IonicContact OD1-NE 3.41Å; D1435-R1437 IonicContact OD2-CZ 3.62Å; D1435-R1437 VanDerWaalsContact OD2-CZ 3.28Å; D1435-R1437 IonicContact OD2-NE 3.98Å; D1435-R1437 PolarHBondContact OD2-NE 3.44Å; D1435-R1437 IonicContact OD2-NH2 3.73Å; D1435-R1437 PolarHBondContact OD2-NH2 3.28Å; R1437-L1439 VanDerWaalsContact C-N 3.31Å; R1437-L1439 PolarHBondContact O-N 3.19Å; R1437-H1441 PolarHBondContact O-CD2 3.5Å; R1437-H1441 VanDerWaalsContact O-CD2 3.29Å
1438M93.7Very high91.6Very high0 Ų034.5 Ų34.50%016%0.159CC..G310 helixtrans-70.5-27.7180-63.6170.567.900112.7L1357 L1360 K1361 L1364 V1434 D1435 A1436 S1440 H1441 L1442L1357-M1438 HydrophobicContact CB-CE 3.81Å; L1357-M1438 HydrophobicContact CD2-CE 4.12Å; L1357-M1438 HydrophobicContact CG-CE 4.46Å; L1357-M1438 WeakPolarHBondContact O-CE 3.39Å; L1360-M1438 HydrophobicContact CD2-CE 4.35Å; K1361-M1438 HydrophobicContact CB-CE 4.37Å; K1361-M1438 HydrophobicContact CB-CG 4.29Å; K1361-M1438 HydrophobicContact CB-SD 3.49Å; K1361-M1438 WeakPolarHBondContact CB-SD 3.46Å; K1361-M1438 HydrophobicContact CD-SD 4.15Å; K1361-M1438 HydrophobicContact CG-SD 3.83Å; L1364-M1438 HydrophobicContact CD1-CG 4.12Å; V1434-M1438 HydrophobicContact CG1-CB 4.31Å; V1434-M1438 HydrophobicContact CG2-CE 4.31Å; D1435-M1438 PolarHBondContact O-N 2.86Å; D1435-M1438 WeakPolarHBondContact OD1-CG 3.34Å; D1435-M1438 PolarHBondContact OD1-N 2.93Å; D1435-M1438 VanDerWaalsContact OD1-N 3.16Å; A1436-M1438 VanDerWaalsContact C-N 3.33Å; M1438-S1440 PolarHBondContact O-N 3.47Å; M1438-S1440 VanDerWaalsContact O-N 3.07Å; M1438-H1441 WeakPolarHBondContact O-CA 3.4Å; M1438-H1441 PolarHBondContact O-N 3.1Å; M1438-L1442 WeakPolarHBondContact O-CG 3.48Å; M1438-L1442 PolarHBondContact O-N 3.29Å
1439L92.1Very high91.3Very high0 Ų038.5 Ų38.50%018%0.179CC..G310 helixtrans-52.5-37.9-171.6-69.3177.4000113.3I1412 W1416 F1429 V1434 D1435 A1436 R1437 H1441 L1442 I1466 L1469 W1590I1412-L1439 HydrophobicContact CD1-CD1 3.99Å; W1416-L1439 HydrophobicContact CH2-CD1 3.66Å; W1416-L1439 HydrophobicContact CH2-CD2 4.15Å; W1416-L1439 HydrophobicContact CZ2-CD1 4.26Å; W1416-L1439 HydrophobicContact CZ3-CD1 3.84Å; W1416-L1439 HydrophobicContact CZ3-CD2 3.93Å; F1429-L1439 HydrophobicContact CE1-CD2 4.41Å; V1434-L1439 HydrophobicContact CG1-CD2 4.16Å; D1435-L1439 PolarHBondContact O-N 3.28Å; A1436-L1439 HydrophobicContact CB-CD1 4.43Å; A1436-L1439 PolarHBondContact O-N 2.9Å; R1437-L1439 VanDerWaalsContact C-N 3.31Å; R1437-L1439 PolarHBondContact O-N 3.19Å; L1439-H1441 VanDerWaalsContact C-N 3.29Å; L1439-H1441 PolarHBondContact O-N 3.01Å; L1439-L1442 HydrophobicContact CD2-CD1 4.33Å; L1439-I1466 HydrophobicContact CB-CD1 3.96Å; L1439-I1466 HydrophobicContact CB-CG1 3.99Å; L1439-I1466 HydrophobicContact CB-CG2 4.39Å; L1439-I1466 HydrophobicContact CD1-CG1 4.18Å; L1439-I1466 HydrophobicContact CD2-CD1 4.39Å; L1439-I1466 HydrophobicContact CD2-CG1 4.43Å; L1439-I1466 HydrophobicContact CG-CG1 4.43Å; L1439-L1469 HydrophobicContact CD1-CD1 3.8Å; L1439-W1590 WeakPolarHBondContact O-CH2 3.48Å
1440S86Confident91Very high42 Ų4241 Ų4129%0.29419%0.191SC..G310 helixtrans-78.3-7.8178.451.30000115.1M1438 W1590M1438-S1440 PolarHBondContact O-N 3.47Å; M1438-S1440 VanDerWaalsContact O-N 3.07Å; S1440-W1590 WeakPolarHBondContact O-CZ2 3.37Å
1441H87.5Confident91.1Very high76 Ų7639.1 Ų39.135%0.35218%0.181SC..THydrogen-bonded Turntrans-113.2-5-175.9-63.3-85.2000113.2L1360 L1364 R1437 M1438 L1439 T1443L1360-H1441 HydrophobicContact CD2-CB 4.23Å; L1364-H1441 HydrophobicContact CD1-CB 4.29Å; R1437-H1441 PolarHBondContact O-CD2 3.5Å; R1437-H1441 VanDerWaalsContact O-CD2 3.29Å; M1438-H1441 WeakPolarHBondContact O-CA 3.4Å; M1438-H1441 PolarHBondContact O-N 3.1Å; L1439-H1441 VanDerWaalsContact C-N 3.29Å; L1439-H1441 PolarHBondContact O-N 3.01Å; H1441-T1443 PolarHBondContact O-N 2.98Å
1442L92.4Very high91Very high4 Ų439.1 Ų39.12%0.02118%0.179CC..  trans-69.8125178.4-64.2174.7000110.7L1357 V1434 M1438 L1439 D1446 L1447 L1451L1357-L1442 HydrophobicContact CD2-CD2 3.8Å; V1434-L1442 HydrophobicContact CG1-CD1 4.06Å; M1438-L1442 WeakPolarHBondContact O-CG 3.48Å; M1438-L1442 PolarHBondContact O-N 3.29Å; L1439-L1442 HydrophobicContact CD2-CD1 4.33Å; L1442-D1446 HydrophobicContact CD2-CB 4.34Å; L1442-L1447 HydrophobicContact CD1-CD2 4.35Å; L1442-L1451 HydrophobicContact CD1-CD1 3.86Å; L1442-L1451 HydrophobicContact CD2-CD1 4.21Å
1443T87.7Confident91Very high44 Ų4438.9 Ų38.927%0.2718%0.178SC..  trans-89173.3177.269.70000112.3H1441 R1445 D1446 L1447 V1594H1441-T1443 PolarHBondContact O-N 2.98Å; T1443-R1445 PolarHBondContact O-N 3.36Å; T1443-D1446 WeakPolarHBondContact CB-OD2 3.48Å; T1443-D1446 PolarHBondContact N-OD2 3.24Å; T1443-D1446 PolarHBondContact O-N 3.25Å; T1443-D1446 PolarHBondContact OG1-N 3.49Å; T1443-D1446 PolarHBondContact OG1-OD2 2.98Å; T1443-L1447 WeakPolarHBondContact O-CG 3.06Å; T1443-L1447 PolarHBondContact O-N 2.94Å; T1443-V1594 VanDerWaalsContact C-CG1 3.43Å
1444K86.1Confident90.7Very high39 Ų3943 Ų4317%0.1720%0.203CC..Hα-helixtrans-63.3-39.4-179.5-162.8169.7168.5169.30109L1447 R1448 V1594 E1595K1444-L1447 PolarHBondContact O-N 3.41Å; K1444-R1448 VanDerWaalsContact CE-CZ 3.47Å; K1444-R1448 WeakPolarHBondContact O-CB 3.37Å; K1444-R1448 WeakPolarHBondContact O-CG 3.47Å; K1444-R1448 PolarHBondContact O-N 2.97Å; K1444-V1594 HydrophobicContact CB-CG1 3.63Å; K1444-V1594 WeakPolarHBondContact CB-O 3.47Å; K1444-V1594 HydrophobicContact CG-CG1 4.45Å; K1444-V1594 PolarHBondContact N-O 2.82Å; K1444-E1595 HydrophobicContact CD-CG 3.69Å; K1444-E1595 IonicContact NZ-OE1 3.67Å; K1444-E1595 PolarHBondContact NZ-OE1 3.4Å
1445R84.5Confident90.6Very high167 Ų16746.3 Ų46.363%0.6322%0.22SC*.Hα-helixtrans-62.6-45.8177.7-174.2180171.483.43.3110.3T1443 R1448 I1449T1443-R1445 PolarHBondContact O-N 3.36Å; R1445-R1448 PolarHBondContact O-N 3.32Å; R1445-I1449 HydrophobicContact CG-CD1 3.5Å; R1445-I1449 VanDerWaalsContact CG-CD1 3.5Å; R1445-I1449 HydrophobicContact CG-CG1 4.16Å; R1445-I1449 WeakPolarHBondContact O-CB 3.42Å; R1445-I1449 WeakPolarHBondContact O-CG1 3.4Å; R1445-I1449 PolarHBondContact O-N 2.94Å
1446D93.4Very high90.5Very high23 Ų2352.6 Ų52.612%0.12325%0.25CS..Iπ-helixtrans-62.8-46178-59.3-43.6000111.8L1357 L1442 T1443 R1448 H1450 L1451L1357-D1446 HydrophobicContact CD2-CB 4.19Å; L1442-D1446 HydrophobicContact CD2-CB 4.34Å; T1443-D1446 WeakPolarHBondContact CB-OD2 3.48Å; T1443-D1446 PolarHBondContact N-OD2 3.24Å; T1443-D1446 PolarHBondContact O-N 3.25Å; T1443-D1446 PolarHBondContact OG1-N 3.49Å; T1443-D1446 PolarHBondContact OG1-OD2 2.98Å; D1446-R1448 VanDerWaalsContact C-N 3.32Å; D1446-R1448 PolarHBondContact O-N 3.17Å; D1446-H1450 WeakPolarHBondContact O-CB 3.32Å; D1446-H1450 PolarHBondContact O-N 2.94Å; D1446-H1450 IonicContact OD1-CD2 2.65Å; D1446-L1451 PolarHBondContact O-N 3.37Å
1447L93.6Very high90.7Very high12 Ų1255.3 Ų55.36%0.06326%0.262CS..Iπ-helixtrans-60-42.5177.8-70.9168.9000111.6L1442 T1443 K1444 L1451 K1452 M1453 R1459 L1462L1442-L1447 HydrophobicContact CD1-CD2 4.35Å; T1443-L1447 WeakPolarHBondContact O-CG 3.06Å; T1443-L1447 PolarHBondContact O-N 2.94Å; K1444-L1447 PolarHBondContact O-N 3.41Å; L1447-L1451 HydrophobicContact CD2-CD1 3.88Å; L1447-L1451 CarbonylContact O-C 3.31Å; L1447-L1451 VanDerWaalsContact O-C 3.31Å; L1447-K1452 PolarHBondContact O-N 3.46Å; L1447-K1452 VanDerWaalsContact O-N 3.14Å; L1447-M1453 HydrophobicContact CD2-SD 4.32Å; L1447-M1453 WeakPolarHBondContact O-CA 3.43Å; L1447-M1453 WeakPolarHBondContact O-CB 3.46Å; L1447-M1453 PolarHBondContact O-N 3.42Å; L1447-R1459 HydrophobicContact CB-CG 4.46Å; L1447-R1459 HydrophobicContact CD1-CG 4.18Å; L1447-L1462 HydrophobicContact CD2-CD2 3.51Å
1448R92.1Very high91.1Very high105 Ų10554.9 Ų54.940%0.39626%0.26SS..Iπ-helixtrans-76.9-50.1-178.5-74.5-179.7171.4-173.5-4.5113.6K1444 R1445 D1446 K1452K1444-R1448 VanDerWaalsContact CE-CZ 3.47Å; K1444-R1448 WeakPolarHBondContact O-CB 3.37Å; K1444-R1448 WeakPolarHBondContact O-CG 3.47Å; K1444-R1448 PolarHBondContact O-N 2.97Å; R1445-R1448 PolarHBondContact O-N 3.32Å; D1446-R1448 VanDerWaalsContact C-N 3.32Å; D1446-R1448 PolarHBondContact O-N 3.17Å; R1448-K1452 WeakPolarHBondContact O-CA 3.28Å
1449I88.7Confident91.1Very high87 Ų8756.2 Ų56.245%0.44627%0.266SS..Iπ-helixtrans-83.4-51.4-170.3-60-176.3000110.7R1445R1445-I1449 HydrophobicContact CG-CD1 3.5Å; R1445-I1449 VanDerWaalsContact CG-CD1 3.5Å; R1445-I1449 HydrophobicContact CG-CG1 4.16Å; R1445-I1449 WeakPolarHBondContact O-CB 3.42Å; R1445-I1449 WeakPolarHBondContact O-CG1 3.4Å; R1445-I1449 PolarHBondContact O-N 2.94Å
1450H91Very high91.2Very high55 Ų5557.9 Ų57.926%0.25527%0.274SS..Iπ-helixtrans-87.5-39-173.1-63.7-58.1000112.1P1356 L1357 D1446P1356-H1450 WeakPolarHBondContact CG-NE2 3.49Å; L1357-H1450 HydrophobicContact CD1-CB 3.61Å; L1357-H1450 HydrophobicContact CG-CB 4.35Å; D1446-H1450 WeakPolarHBondContact O-CB 3.32Å; D1446-H1450 PolarHBondContact O-N 2.94Å; D1446-H1450 IonicContact OD1-CD2 2.65Å
1451L95.3Very high91.6Very high0 Ų055.9 Ų55.90%026%0.26CS..SBendtrans-100.62.7-175.7-55.8171.7000114L1357 F1429 C1432 V1434 L1442 D1446 L1447 M1453L1357-L1451 HydrophobicContact CD1-CD1 4.47Å; L1357-L1451 HydrophobicContact CD1-CD2 4.09Å; L1357-L1451 HydrophobicContact CD1-CG 4.15Å; F1429-L1451 HydrophobicContact CD2-CB 4.33Å; F1429-L1451 HydrophobicContact CD2-CD1 4.44Å; F1429-L1451 HydrophobicContact CD2-CD2 3.92Å; F1429-L1451 HydrophobicContact CD2-CG 4.46Å; F1429-L1451 HydrophobicContact CE1-CD1 4.38Å; F1429-L1451 HydrophobicContact CE2-CB 3.95Å; F1429-L1451 HydrophobicContact CE2-CD1 3.88Å; F1429-L1451 HydrophobicContact CE2-CD2 4.16Å; F1429-L1451 HydrophobicContact CE2-CG 4.21Å; F1429-L1451 HydrophobicContact CG-CD2 4.28Å; F1429-L1451 HydrophobicContact CZ-CD1 3.84Å; C1432-L1451 HydrophobicContact CB-CD2 3.8Å; V1434-L1451 HydrophobicContact CG2-CD1 4.23Å; V1434-L1451 HydrophobicContact CG2-CD2 3.69Å; L1442-L1451 HydrophobicContact CD1-CD1 3.86Å; L1442-L1451 HydrophobicContact CD2-CD1 4.21Å; D1446-L1451 PolarHBondContact O-N 3.37Å; L1447-L1451 HydrophobicContact CD2-CD1 3.88Å; L1447-L1451 CarbonylContact O-C 3.31Å; L1447-L1451 VanDerWaalsContact O-C 3.31Å; L1451-M1453 PolarHBondContact O-N 2.98Å; L1451-M1453 VanDerWaalsContact O-N 3.07Å
1452K93.5Very high92.1Very high131 Ų13152.4 Ų52.457%0.5724%0.244SC*.  trans56.222.6174.7-56.7179.8-177.4172.90114.5Y1425 L1447 R1448 V1454Y1425-K1452 WeakPolarHBondContact CE1-O 3.49Å; L1447-K1452 PolarHBondContact O-N 3.46Å; L1447-K1452 VanDerWaalsContact O-N 3.14Å; R1448-K1452 WeakPolarHBondContact O-CA 3.28Å; K1452-V1454 PolarHBondContact O-N 3.43Å
1453M94.9Very high92.2Very high0 Ų052.9 Ų52.90%025%0.246CC..  trans-93.574.4-178.3-161.8-178.9-70.800110.7Y1425 F1429 L1447 L1451 H1458 R1459 L1462Y1425-M1453 HydrophobicContact CD1-CB 4.15Å; Y1425-M1453 HydrophobicContact CD1-CE 4.28Å; Y1425-M1453 HydrophobicContact CD1-CG 4.33Å; Y1425-M1453 HydrophobicContact CD2-CE 3.58Å; Y1425-M1453 HydrophobicContact CD2-CG 4.36Å; Y1425-M1453 HydrophobicContact CE1-CB 3.98Å; Y1425-M1453 HydrophobicContact CE1-CG 3.99Å; Y1425-M1453 HydrophobicContact CE2-CE 4.09Å; Y1425-M1453 HydrophobicContact CE2-CG 3.99Å; Y1425-M1453 HydrophobicContact CG-CE 3.67Å; F1429-M1453 HydrophobicContact CE2-CE 3.74Å; F1429-M1453 HydrophobicContact CZ-CE 4.08Å; L1447-M1453 HydrophobicContact CD2-SD 4.32Å; L1447-M1453 WeakPolarHBondContact O-CA 3.43Å; L1447-M1453 WeakPolarHBondContact O-CB 3.46Å; L1447-M1453 PolarHBondContact O-N 3.42Å; L1451-M1453 PolarHBondContact O-N 2.98Å; L1451-M1453 VanDerWaalsContact O-N 3.07Å; M1453-H1458 HydrophobicContact CG-CB 4.07Å; M1453-H1458 HydrophobicContact SD-CB 4.26Å; M1453-R1459 HydrophobicContact CB-CG 4.45Å; M1453-R1459 HydrophobicContact CG-CG 3.87Å; M1453-R1459 WeakPolarHBondContact O-CD 3.35Å; M1453-R1459 PolarHBondContact O-NE 2.89Å; M1453-R1459 HydrophobicContact SD-CG 3.85Å; M1453-L1462 HydrophobicContact CE-CD2 4.15Å; M1453-L1462 HydrophobicContact SD-CB 4.33Å; M1453-L1462 HydrophobicContact SD-CD2 4.08Å
1454V88.1Confident92.5Very high98 Ų9851.4 Ų51.459%0.59424%0.235SC*.  trans-72.3-38.6-179-176.30000111.7K1452 Q1456 R1459K1452-V1454 PolarHBondContact O-N 3.43Å; V1454-Q1456 PolarHBondContact O-N 3.38Å; V1454-R1459 PolarHBondContact O-NE 3.02Å; V1454-R1459 PolarHBondContact O-NH2 2.9Å
1455D91.7Very high93Very high68 Ų6849.5 Ų49.536%0.36423%0.227SC..  trans-56.1130.4-178.4-165.7-34.3000111.4F1457 H1458 R1459D1455-F1457 WeakPolarHBondContact OD1-CB 3.45Å; D1455-F1457 PolarHBondContact OD1-N 3.19Å; D1455-H1458 HydrophobicContact CB-CB 4.06Å; D1455-H1458 IonicContact OD2-CE1 3.46Å; D1455-H1458 IonicContact OD2-ND1 2.86Å; D1455-H1458 IonicContact OD2-NE2 3.59Å; D1455-R1459 WeakPolarHBondContact O-CG 3.27Å; D1455-R1459 PolarHBondContact O-N 2.93Å; D1455-R1459 PolarHBondContact O-NE 3.49Å
1456Q90.9Very high93.3Very high133 Ų13341.8 Ų41.862%0.62120%0.198SC*.Hα-helixtrans-73-38.9178.1-179.1168.2-14.300112.1V1454 H1458 R1459 L1460V1454-Q1456 PolarHBondContact O-N 3.38Å; Q1456-H1458 VanDerWaalsContact C-N 3.35Å; Q1456-H1458 PolarHBondContact O-N 2.65Å; Q1456-R1459 PolarHBondContact O-N 2.97Å; Q1456-L1460 PolarHBondContact O-N 3.12Å
1457F93.5Very high93.1Very high57 Ų5742.7 Ų42.725%0.2520%0.202CC..Hα-helixtrans-64.1-42.6179.7-176-106.3000110.9D1455 R1459 L1460 S1461 S1520 V1522 L1526 F1533 I1541D1455-F1457 WeakPolarHBondContact OD1-CB 3.45Å; D1455-F1457 PolarHBondContact OD1-N 3.19Å; F1457-R1459 VanDerWaalsContact C-N 3.32Å; F1457-R1459 PolarHBondContact O-N 3.22Å; F1457-L1460 WeakPolarHBondContact O-CB 3.21Å; F1457-L1460 PolarHBondContact O-N 3.35Å; F1457-S1461 WeakPolarHBondContact O-CB 3.32Å; F1457-S1461 PolarHBondContact O-N 2.86Å; F1457-S1520 WeakPolarHBondContact CD1-O 3.24Å; F1457-S1520 WeakPolarHBondContact CE1-O 3.26Å; F1457-V1522 HydrophobicContact CE1-CG2 4.13Å; F1457-V1522 HydrophobicContact CZ-CG2 4.09Å; F1457-L1526 HydrophobicContact CE1-CD2 4.36Å; F1457-L1526 HydrophobicContact CE2-CD2 4.14Å; F1457-L1526 HydrophobicContact CZ-CD2 3.58Å; F1457-F1533 HydrophobicContact CZ-CE2 4.32Å; F1457-I1541 HydrophobicContact CE1-CD1 3.89Å; F1457-I1541 HydrophobicContact CE2-CD1 3.98Å; F1457-I1541 HydrophobicContact CZ-CD1 3.37Å; F1457-I1541 HydrophobicContact CZ-CG1 4.46Å
1458H96.2Very high93.1Very high11 Ų1142.4 Ų42.45%0.05120%0.201CC..Hα-helixtrans-65.6-33.7176.1-64.5164.7000113.3L1422 Y1425 M1453 D1455 Q1456 S1461 L1462 D1519 S1520L1422-H1458 HydrophobicContact CD2-CB 3.74Å; Y1425-H1458 HydrophobicContact CE2-CB 3.95Å; Y1425-H1458 AromaticContact CE2-CG 3.88Å; Y1425-H1458 AromaticContact CE2-ND1 3.37Å; Y1425-H1458 WeakPolarHBondContact CE2-ND1 3.4Å; Y1425-H1458 AromaticContact CZ-ND1 3.52Å; Y1425-H1458 PolarHBondContact OH-ND1 2.81Å; M1453-H1458 HydrophobicContact CG-CB 4.07Å; M1453-H1458 HydrophobicContact SD-CB 4.26Å; D1455-H1458 HydrophobicContact CB-CB 4.06Å; D1455-H1458 IonicContact OD2-CE1 3.46Å; D1455-H1458 IonicContact OD2-ND1 2.86Å; D1455-H1458 IonicContact OD2-NE2 3.59Å; Q1456-H1458 VanDerWaalsContact C-N 3.35Å; Q1456-H1458 PolarHBondContact O-N 2.65Å; H1458-S1461 PolarHBondContact O-N 2.83Å; H1458-L1462 WeakPolarHBondContact O-CB 3.22Å; H1458-L1462 PolarHBondContact O-N 2.93Å; H1458-D1519 PolarHBondContact NE2-O 3.08Å; H1458-S1520 PolarHBondContact CD2-O 3.47Å; H1458-S1520 PolarHBondContact NE2-O 3.3Å
1459R95.4Very high93Very high29 Ų2937.5 Ų37.511%0.10918%0.183CC..Hα-helixtrans-67.8-38.7173.6-72.5-178.8-75.1138.21.7111.8L1447 M1453 V1454 D1455 Q1456 F1457 L1462 Y1463L1447-R1459 HydrophobicContact CB-CG 4.46Å; L1447-R1459 HydrophobicContact CD1-CG 4.18Å; M1453-R1459 HydrophobicContact CB-CG 4.45Å; M1453-R1459 HydrophobicContact CG-CG 3.87Å; M1453-R1459 WeakPolarHBondContact O-CD 3.35Å; M1453-R1459 PolarHBondContact O-NE 2.89Å; M1453-R1459 HydrophobicContact SD-CG 3.85Å; V1454-R1459 PolarHBondContact O-NE 3.02Å; V1454-R1459 PolarHBondContact O-NH2 2.9Å; D1455-R1459 WeakPolarHBondContact O-CG 3.27Å; D1455-R1459 PolarHBondContact O-N 2.93Å; D1455-R1459 PolarHBondContact O-NE 3.49Å; Q1456-R1459 PolarHBondContact O-N 2.97Å; F1457-R1459 VanDerWaalsContact C-N 3.32Å; F1457-R1459 PolarHBondContact O-N 3.22Å; R1459-L1462 PolarHBondContact O-N 3.27Å; R1459-Y1463 PolarHBondContact O-N 3.08Å
1460L93.2Very high92.9Very high34 Ų3437.4 Ų37.418%0.17818%0.179CC..Hα-helixtrans-66.3-43.7174.2-172.868000111.4Q1456 F1457 L1462 Y1463 Y1464 D1530 I1591Q1456-L1460 PolarHBondContact O-N 3.12Å; F1457-L1460 WeakPolarHBondContact O-CB 3.21Å; F1457-L1460 PolarHBondContact O-N 3.35Å; L1460-L1462 PolarHBondContact O-N 2.95Å; L1460-Y1463 WeakPolarHBondContact O-CB 3.38Å; L1460-Y1463 PolarHBondContact O-N 3.13Å; L1460-Y1464 HydrophobicContact CD1-CD2 4.16Å; L1460-Y1464 HydrophobicContact CD1-CE2 3.47Å; L1460-Y1464 VanDerWaalsContact CD1-CE2 3.47Å; L1460-Y1464 HydrophobicContact CD2-CE2 4.1Å; L1460-Y1464 HydrophobicContact CG-CD2 3.93Å; L1460-Y1464 HydrophobicContact CG-CE2 3.51Å; L1460-Y1464 WeakPolarHBondContact O-CD2 3.31Å; L1460-Y1464 PolarHBondContact O-N 3.36Å; L1460-D1530 WeakPolarHBondContact CD2-OD2 3.33Å; L1460-I1591 HydrophobicContact CD1-CD1 3.88Å
1461S95Very high92.7Very high0 Ų038 Ų380%018%0.179CC..Hα-helixtrans-56.8-49.8172.1168.60000111.9F1457 H1458 Y1463 Y1464 G1465 G1521 H1523F1457-S1461 WeakPolarHBondContact O-CB 3.32Å; F1457-S1461 PolarHBondContact O-N 2.86Å; H1458-S1461 PolarHBondContact O-N 2.83Å; S1461-Y1463 VanDerWaalsContact C-N 3.28Å; S1461-Y1463 PolarHBondContact O-N 3.45Å; S1461-Y1464 PolarHBondContact O-N 3.07Å; S1461-G1465 PolarHBondContact O-N 2.85Å; S1461-G1521 VanDerWaalsContact CB-O 3.28Å; S1461-G1521 WeakPolarHBondContact CB-O 3.48Å; S1461-G1521 PolarHBondContact OG-O 3.22Å; S1461-H1523 PolarHBondContact O-CE1 3.01Å; S1461-H1523 PolarHBondContact OG-CE1 2.89Å; S1461-H1523 PolarHBondContact OG-ND1 3.35Å
1462L96.6Very high92.1Very high3 Ų338.6 Ų38.62%0.01618%0.182CC..Hα-helixtrans-57.8-43.2176.4-178.669.1000111.1W1416 L1417 L1420 L1422 F1429 L1447 M1453 H1458 R1459 L1460 G1465 I1466W1416-L1462 HydrophobicContact CH2-CD1 3.74Å; W1416-L1462 HydrophobicContact CZ3-CD1 3.81Å; L1417-L1462 HydrophobicContact CD1-CD1 4.1Å; L1420-L1462 HydrophobicContact CD1-CD1 4.37Å; L1422-L1462 HydrophobicContact CD1-CB 4.09Å; L1422-L1462 HydrophobicContact CD1-CD1 4.5Å; F1429-L1462 HydrophobicContact CZ-CD1 4.38Å; F1429-L1462 HydrophobicContact CZ-CD2 4.01Å; L1447-L1462 HydrophobicContact CD2-CD2 3.51Å; M1453-L1462 HydrophobicContact CE-CD2 4.15Å; M1453-L1462 HydrophobicContact SD-CB 4.33Å; M1453-L1462 HydrophobicContact SD-CD2 4.08Å; H1458-L1462 WeakPolarHBondContact O-CB 3.22Å; H1458-L1462 PolarHBondContact O-N 2.93Å; R1459-L1462 PolarHBondContact O-N 3.27Å; L1460-L1462 PolarHBondContact O-N 2.95Å; L1462-G1465 WeakPolarHBondContact O-CA 3.36Å; L1462-G1465 PolarHBondContact O-N 3.2Å; L1462-I1466 HydrophobicContact CG-CD1 4.06Å; L1462-I1466 VanDerWaalsContact O-CG1 3.28Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.18Å; L1462-I1466 PolarHBondContact O-N 3.34Å
1463Y94.6Very high91.4Very high14 Ų1437.4 Ų37.46%0.05518%0.182CC..Hα-helixtrans-57.9-49.5177.6171.7-101.1000112.5R1459 L1460 S1461 G1465 I1466 M1467 T1586 A1587 W1590R1459-Y1463 PolarHBondContact O-N 3.08Å; L1460-Y1463 WeakPolarHBondContact O-CB 3.38Å; L1460-Y1463 PolarHBondContact O-N 3.13Å; S1461-Y1463 VanDerWaalsContact C-N 3.28Å; S1461-Y1463 PolarHBondContact O-N 3.45Å; Y1463-G1465 VanDerWaalsContact C-N 3.29Å; Y1463-G1465 PolarHBondContact O-N 2.96Å; Y1463-I1466 WeakPolarHBondContact O-CB 3.43Å; Y1463-I1466 PolarHBondContact O-N 3.13Å; Y1463-I1466 VanDerWaalsContact O-N 3.09Å; Y1463-M1467 HydrophobicContact CD1-CG 4.34Å; Y1463-M1467 HydrophobicContact CD1-SD 4.08Å; Y1463-M1467 HydrophobicContact CE1-CG 3.84Å; Y1463-M1467 HydrophobicContact CE1-SD 3.24Å; Y1463-M1467 WeakPolarHBondContact CE1-SD 3.24Å; Y1463-M1467 HydrophobicContact CE2-CG 4.19Å; Y1463-M1467 HydrophobicContact CE2-SD 4.47Å; Y1463-M1467 VanDerWaalsContact CZ-SD 3.51Å; Y1463-M1467 WeakPolarHBondContact O-CG 3.35Å; Y1463-M1467 PolarHBondContact O-N 2.91Å; Y1463-T1586 PolarHBondContact OH-O 3.27Å; Y1463-A1587 HydrophobicContact CD1-CB 4.19Å; Y1463-A1587 HydrophobicContact CE1-CB 3.42Å; Y1463-A1587 VanDerWaalsContact CE1-CB 3.42Å; Y1463-A1587 WeakPolarHBondContact OH-CA 3.42Å; Y1463-A1587 PolarHBondContact OH-N 3.35Å; Y1463-W1590 HydrophobicContact CD2-CB 3.96Å; Y1463-W1590 AromaticContact CD2-CD2 3.67Å; Y1463-W1590 HydrophobicContact CD2-CD2 3.67Å; Y1463-W1590 AromaticContact CD2-CE3 3.39Å; Y1463-W1590 HydrophobicContact CD2-CE3 3.39Å; Y1463-W1590 AromaticContact CD2-CG 3.94Å; Y1463-W1590 HydrophobicContact CD2-CG 3.94Å; Y1463-W1590 HydrophobicContact CD2-CZ3 4.13Å; Y1463-W1590 HydrophobicContact CE2-CB 3.42Å; Y1463-W1590 VanDerWaalsContact CE2-CB 3.42Å; Y1463-W1590 AromaticContact CE2-CD2 3.51Å; Y1463-W1590 HydrophobicContact CE2-CD2 3.51Å; Y1463-W1590 AromaticContact CE2-CE3 3.78Å; Y1463-W1590 HydrophobicContact CE2-CE3 3.78Å; Y1463-W1590 AromaticContact CE2-CG 3.36Å; Y1463-W1590 HydrophobicContact CE2-CG 3.36Å
1464Y95.3Very high91Very high13 Ų1338.6 Ų38.65%0.05119%0.187CC..Hα-helixtrans-67.7-30.2177.7-69.9-61.3000112.8L1460 S1461 M1467 C1468 L1526 L1529 D1530L1460-Y1464 HydrophobicContact CD1-CD2 4.16Å; L1460-Y1464 HydrophobicContact CD1-CE2 3.47Å; L1460-Y1464 VanDerWaalsContact CD1-CE2 3.47Å; L1460-Y1464 HydrophobicContact CD2-CE2 4.1Å; L1460-Y1464 HydrophobicContact CG-CD2 3.93Å; L1460-Y1464 HydrophobicContact CG-CE2 3.51Å; L1460-Y1464 WeakPolarHBondContact O-CD2 3.31Å; L1460-Y1464 PolarHBondContact O-N 3.36Å; S1461-Y1464 PolarHBondContact O-N 3.07Å; Y1464-M1467 HydrophobicContact CD1-SD 3.77Å; Y1464-M1467 HydrophobicContact CE1-SD 4.02Å; Y1464-M1467 PolarHBondContact O-N 3.18Å; Y1464-C1468 PolarHBondContact O-N 3.37Å; Y1464-L1526 HydrophobicContact CD2-CD1 3.51Å; Y1464-L1526 HydrophobicContact CE2-CD1 4.01Å; Y1464-L1526 HydrophobicContact CG-CD1 4.46Å; Y1464-L1529 HydrophobicContact CD1-CB 3.45Å; Y1464-L1529 VanDerWaalsContact CD1-CB 3.45Å; Y1464-L1529 HydrophobicContact CD1-CD1 4.18Å; Y1464-L1529 HydrophobicContact CD1-CG 4.49Å; Y1464-L1529 HydrophobicContact CE1-CB 3.81Å; Y1464-L1529 WeakPolarHBondContact CE1-O 3.49Å; Y1464-L1529 HydrophobicContact CG-CB 4.26Å; Y1464-D1530 HydrophobicContact CD2-CB 4.15Å; Y1464-D1530 HydrophobicContact CE2-CB 3.51Å
1465G94.9Very high90.7Very high0 Ų036.6 Ų36.60%017%0.173CC..Hα-helixtrans-59.9-45.7167.200000112.3S1461 L1462 Y1463 C1468 L1469S1461-G1465 PolarHBondContact O-N 2.85Å; L1462-G1465 WeakPolarHBondContact O-CA 3.36Å; L1462-G1465 PolarHBondContact O-N 3.2Å; Y1463-G1465 VanDerWaalsContact C-N 3.29Å; Y1463-G1465 PolarHBondContact O-N 2.96Å; G1465-C1468 WeakPolarHBondContact O-CB 3.33Å; G1465-C1468 PolarHBondContact O-N 3.44Å; G1465-L1469 PolarHBondContact O-N 2.99Å; G1465-L1469 VanDerWaalsContact O-N 3.09Å
1466I92.5Very high90.4Very high4 Ų437.2 Ų37.22%0.02117%0.17CC..Hα-helixtrans-64.3-41.2176.4-64.2165.5000110.5W1416 L1439 L1462 Y1463 C1468 L1469 K1470 W1590W1416-I1466 HydrophobicContact CH2-CG1 3.92Å; W1416-I1466 HydrophobicContact CZ2-CG1 4.43Å; L1439-I1466 HydrophobicContact CB-CD1 3.96Å; L1439-I1466 HydrophobicContact CB-CG1 3.99Å; L1439-I1466 HydrophobicContact CB-CG2 4.39Å; L1439-I1466 HydrophobicContact CD1-CG1 4.18Å; L1439-I1466 HydrophobicContact CD2-CD1 4.39Å; L1439-I1466 HydrophobicContact CD2-CG1 4.43Å; L1439-I1466 HydrophobicContact CG-CG1 4.43Å; L1462-I1466 HydrophobicContact CG-CD1 4.06Å; L1462-I1466 VanDerWaalsContact O-CG1 3.28Å; L1462-I1466 WeakPolarHBondContact O-CG1 3.18Å; L1462-I1466 PolarHBondContact O-N 3.34Å; Y1463-I1466 WeakPolarHBondContact O-CB 3.43Å; Y1463-I1466 PolarHBondContact O-N 3.13Å; Y1463-I1466 VanDerWaalsContact O-N 3.09Å; I1466-C1468 VanDerWaalsContact C-N 3.3Å; I1466-C1468 PolarHBondContact O-N 3.45Å; I1466-L1469 PolarHBondContact O-N 3.27Å; I1466-K1470 HydrophobicContact CG2-CD 4.32Å; I1466-K1470 HydrophobicContact CG2-CG 4.48Å; I1466-K1470 WeakPolarHBondContact O-CG 3.42Å; I1466-K1470 PolarHBondContact O-N 3.46Å; I1466-W1590 HydrophobicContact CD1-CH2 4.48Å; I1466-W1590 HydrophobicContact CD1-CZ3 4.45Å
1467M89.3Confident90.1Very high42 Ų4234.5 Ų34.521%0.20717%0.166CC..Hα-helixtrans-61.7-37.8174.9-70.6-168.783.400112.3Y1463 Y1464 K1470 R1471 L1529Y1463-M1467 HydrophobicContact CD1-CG 4.34Å; Y1463-M1467 HydrophobicContact CD1-SD 4.08Å; Y1463-M1467 HydrophobicContact CE1-CG 3.84Å; Y1463-M1467 HydrophobicContact CE1-SD 3.24Å; Y1463-M1467 WeakPolarHBondContact CE1-SD 3.24Å; Y1463-M1467 HydrophobicContact CE2-CG 4.19Å; Y1463-M1467 HydrophobicContact CE2-SD 4.47Å; Y1463-M1467 VanDerWaalsContact CZ-SD 3.51Å; Y1463-M1467 WeakPolarHBondContact O-CG 3.35Å; Y1463-M1467 PolarHBondContact O-N 2.91Å; Y1464-M1467 HydrophobicContact CD1-SD 3.77Å; Y1464-M1467 HydrophobicContact CE1-SD 4.02Å; Y1464-M1467 PolarHBondContact O-N 3.18Å; M1467-K1470 PolarHBondContact O-N 3.02Å; M1467-R1471 WeakPolarHBondContact O-CG 3.5Å; M1467-R1471 PolarHBondContact O-N 3.44Å; M1467-L1529 HydrophobicContact CB-CD1 3.98Å
1468C91.9Very high89.7Confident7 Ų733.5 Ų33.55%0.04716%0.162CC..Hα-helixtrans-61.6-46.6174.1-174.60000111Y1464 G1465 I1466 K1470 R1471 L1472 L1494 A1525Y1464-C1468 PolarHBondContact O-N 3.37Å; G1465-C1468 WeakPolarHBondContact O-CB 3.33Å; G1465-C1468 PolarHBondContact O-N 3.44Å; I1466-C1468 VanDerWaalsContact C-N 3.3Å; I1466-C1468 PolarHBondContact O-N 3.45Å; C1468-K1470 PolarHBondContact O-N 3.45Å; C1468-R1471 PolarHBondContact O-N 3.05Å; C1468-L1472 WeakPolarHBondContact O-CG 3.48Å; C1468-L1472 PolarHBondContact O-N 2.91Å; C1468-L1494 PolarHBondContact SG-O 3.13Å; C1468-L1494 VanDerWaalsContact SG-O 3.41Å; C1468-A1525 HydrophobicContact CB-CB 3.61Å
1469L90.5Very high89.3Confident2 Ų233 Ų331%0.0116%0.16CC..Hα-helixtrans-59.7-44.3174.1-71.4-178.4000112.3W1411 W1416 L1439 G1465 I1466 R1471 L1472 D1473 Y1474 I1479W1411-L1469 HydrophobicContact CH2-CD2 4.14Å; W1411-L1469 HydrophobicContact CZ3-CD2 4.49Å; W1416-L1469 HydrophobicContact CD2-CD1 4.12Å; W1416-L1469 HydrophobicContact CH2-CD1 4.15Å; W1416-L1469 HydrophobicContact CZ2-CD1 3.38Å; W1416-L1469 HydrophobicContact CZ2-CG 3.92Å; L1439-L1469 HydrophobicContact CD1-CD1 3.8Å; G1465-L1469 PolarHBondContact O-N 2.99Å; G1465-L1469 VanDerWaalsContact O-N 3.09Å; I1466-L1469 PolarHBondContact O-N 3.27Å; L1469-R1471 VanDerWaalsContact C-N 3.33Å; L1469-R1471 PolarHBondContact O-N 3.41Å; L1469-L1472 CarbonylContact O-C 3.45Å; L1469-L1472 PolarHBondContact O-N 2.87Å; L1469-L1472 VanDerWaalsContact O-N 3.12Å; L1469-D1473 PolarHBondContact O-N 3.43Å; L1469-Y1474 HydrophobicContact CB-CD1 3.87Å; L1469-Y1474 HydrophobicContact CB-CE1 3.88Å; L1469-Y1474 HydrophobicContact CB-CG 4.48Å; L1469-Y1474 HydrophobicContact CD1-CD1 4.26Å; L1469-Y1474 HydrophobicContact CD1-CE1 4.23Å; L1469-Y1474 PolarHBondContact O-N 2.94Å; L1469-I1479 HydrophobicContact CD2-CD1 4Å
1470K86.9Confident88.9Confident84 Ų8434.6 Ų34.637%0.36517%0.168SC..Hα-helixtrans-59.7-41.3176.7-76.4-179.7174.6-177.90112.3I1466 M1467 C1468 L1472 D1473 Y1474I1466-K1470 HydrophobicContact CG2-CD 4.32Å; I1466-K1470 HydrophobicContact CG2-CG 4.48Å; I1466-K1470 WeakPolarHBondContact O-CG 3.42Å; I1466-K1470 PolarHBondContact O-N 3.46Å; M1467-K1470 PolarHBondContact O-N 3.02Å; C1468-K1470 PolarHBondContact O-N 3.45Å; K1470-L1472 PolarHBondContact O-N 3.44Å; K1470-D1473 PolarHBondContact O-N 3.41Å; K1470-D1473 VanDerWaalsContact O-N 3.14Å; K1470-Y1474 HydrophobicContact CB-CE2 4.31Å; K1470-Y1474 VanDerWaalsContact CE-OH 3.3Å; K1470-Y1474 WeakPolarHBondContact CE-OH 3.48Å; K1470-Y1474 HydrophobicContact CG-CE2 3.55Å; K1470-Y1474 VanDerWaalsContact CG-OH 3.25Å; K1470-Y1474 WeakPolarHBondContact CG-OH 3.48Å
1471R85.8Confident88.8Confident68 Ų6839 Ų3926%0.25718%0.183SC..Hα-helixtrans-69.2-18.8177.2-77.4-167.1175.694.1-6.8113.9M1467 C1468 L1469 M1582M1467-R1471 WeakPolarHBondContact O-CG 3.5Å; M1467-R1471 PolarHBondContact O-N 3.44Å; C1468-R1471 PolarHBondContact O-N 3.05Å; L1469-R1471 VanDerWaalsContact C-N 3.33Å; L1469-R1471 PolarHBondContact O-N 3.41Å; R1471-M1582 PolarHBondContact NH2-SD 2.9Å
1472L84.6Confident88.6Confident12 Ų1240.4 Ų40.46%0.06319%0.188CC..THydrogen-bonded Turntrans-10116.1174.4-61.5176.2000111.8C1468 L1469 K1470 Y1474 D1475 E1478 I1479 V1495C1468-L1472 WeakPolarHBondContact O-CG 3.48Å; C1468-L1472 PolarHBondContact O-N 2.91Å; L1469-L1472 CarbonylContact O-C 3.45Å; L1469-L1472 PolarHBondContact O-N 2.87Å; L1469-L1472 VanDerWaalsContact O-N 3.12Å; K1470-L1472 PolarHBondContact O-N 3.44Å; L1472-Y1474 PolarHBondContact O-N 2.88Å; L1472-D1475 WeakPolarHBondContact O-CB 3.17Å; L1472-D1475 PolarHBondContact O-N 2.71Å; L1472-E1478 HydrophobicContact CD2-CG 4.47Å; L1472-I1479 HydrophobicContact CD1-CB 3.69Å; L1472-I1479 HydrophobicContact CD1-CD1 4.1Å; L1472-I1479 HydrophobicContact CD1-CG1 3.8Å; L1472-V1495 HydrophobicContact CD1-CG1 4.05Å
1473D78.3Confident88.4Confident106 Ų10642 Ų4257%0.56719%0.194SC*.THydrogen-bonded Turntrans52.129.5-178-62.9-38.3000113.8L1469 K1470 D1475L1469-D1473 PolarHBondContact O-N 3.43Å; K1470-D1473 PolarHBondContact O-N 3.41Å; K1470-D1473 VanDerWaalsContact O-N 3.14Å; D1473-D1475 PolarHBondContact O-N 3.28Å
1474Y85.9Confident88.1Confident26 Ų2648.5 Ų48.510%0.10222%0.224CC..THydrogen-bonded Turntrans53.934.2-173.3-64.1-95.8000112.8P1401 L1402 L1407 A1436 L1469 K1470 L1472 R1476P1401-Y1474 VanDerWaalsContact CB-O 3.23Å; P1401-Y1474 WeakPolarHBondContact CB-O 3.48Å; P1401-Y1474 WeakPolarHBondContact CG-O 3.3Å; L1402-Y1474 HydrophobicContact CD1-CD2 4.18Å; L1402-Y1474 HydrophobicContact CD1-CG 3.95Å; L1402-Y1474 HydrophobicContact CD2-CD1 4.39Å; L1402-Y1474 HydrophobicContact CD2-CG 4.44Å; L1402-Y1474 HydrophobicContact CG-CG 4.45Å; L1407-Y1474 HydrophobicContact CD1-CD1 4.25Å; L1407-Y1474 HydrophobicContact CD1-CG 4.47Å; L1407-Y1474 WeakPolarHBondContact CD1-O 3.36Å; A1436-Y1474 HydrophobicContact CB-CD1 4.12Å; A1436-Y1474 HydrophobicContact CB-CE1 4.39Å; L1469-Y1474 HydrophobicContact CB-CD1 3.87Å; L1469-Y1474 HydrophobicContact CB-CE1 3.88Å; L1469-Y1474 HydrophobicContact CB-CG 4.48Å; L1469-Y1474 HydrophobicContact CD1-CD1 4.26Å; L1469-Y1474 HydrophobicContact CD1-CE1 4.23Å; L1469-Y1474 PolarHBondContact O-N 2.94Å; K1470-Y1474 HydrophobicContact CB-CE2 4.31Å; K1470-Y1474 VanDerWaalsContact CE-OH 3.3Å; K1470-Y1474 WeakPolarHBondContact CE-OH 3.48Å; K1470-Y1474 HydrophobicContact CG-CE2 3.55Å; K1470-Y1474 VanDerWaalsContact CG-OH 3.25Å; K1470-Y1474 WeakPolarHBondContact CG-OH 3.48Å; L1472-Y1474 PolarHBondContact O-N 2.88Å; Y1474-R1476 PolarHBondContact O-N 3.28Å
1475D80.9Confident87.7Confident56 Ų5651 Ų5130%0.29925%0.248SC..  trans-84.8106.2173.4-171.8-21.9000110.6L1472 D1473 S1477 E1478 I1479L1472-D1475 WeakPolarHBondContact O-CB 3.17Å; L1472-D1475 PolarHBondContact O-N 2.71Å; D1473-D1475 PolarHBondContact O-N 3.28Å; D1475-S1477 VanDerWaalsContact C-N 3.33Å; D1475-S1477 PolarHBondContact O-N 2.97Å; D1475-S1477 WeakPolarHBondContact OD1-CB 3.47Å; D1475-S1477 PolarHBondContact OD1-N 2.92Å; D1475-E1478 HydrophobicContact CB-CB 3.81Å; D1475-E1478 PolarHBondContact O-N 3.23Å; D1475-E1478 PolarHBondContact OD1-N 3.41Å; D1475-E1478 VanDerWaalsContact OD1-N 3.09Å; D1475-I1479 PolarHBondContact O-N 3.02Å; D1475-I1479 VanDerWaalsContact O-N 3.14Å
1476R86.3Confident87.3Confident81 Ų8151.1 Ų51.131%0.30625%0.249SC..Hα-helixtrans-59.3-42177179.9178.5167179.5-4.4112.5E1406 L1407 W1411 Y1474 E1478 I1479 E1480E1406-R1476 WeakPolarHBondContact O-CD 3.41Å; E1406-R1476 PolarHBondContact O-NH1 3.15Å; L1407-R1476 HydrophobicContact CD2-CB 3.86Å; L1407-R1476 HydrophobicContact CD2-CG 4.38Å; L1407-R1476 HydrophobicContact CG-CB 4.37Å; W1411-R1476 HydrophobicContact CZ2-CG 4.11Å; Y1474-R1476 PolarHBondContact O-N 3.28Å; R1476-E1478 VanDerWaalsContact C-N 3.32Å; R1476-I1479 WeakPolarHBondContact O-CG2 3.36Å; R1476-E1480 WeakPolarHBondContact CG-OE1 3.45Å; R1476-E1480 IonicContact CZ-OE1 3.88Å; R1476-E1480 IonicContact NE-OE1 2.71Å; R1476-E1480 PolarHBondContact NE-OE1 2.69Å; R1476-E1480 IonicContact NE-OE2 3.54Å; R1476-E1480 IonicContact NH2-OE1 3.45Å; R1476-E1480 PolarHBondContact NH2-OE1 3.44Å; R1476-E1480 WeakPolarHBondContact O-CG 3.42Å; R1476-E1480 PolarHBondContact O-N 2.92Å
1477S83.8Confident86.8Confident75 Ų7555.5 Ų55.552%0.52427%0.269SS..Hα-helixtrans-69.7-36.2-177.3-64.10000110.7D1475 R1481D1475-S1477 VanDerWaalsContact C-N 3.33Å; D1475-S1477 PolarHBondContact O-N 2.97Å; D1475-S1477 WeakPolarHBondContact OD1-CB 3.47Å; D1475-S1477 PolarHBondContact OD1-N 2.92Å; S1477-R1481 WeakPolarHBondContact O-CB 3.32Å; S1477-R1481 PolarHBondContact O-N 3.2Å
1478E85.9Confident86.4Confident36 Ų3661.2 Ų61.217%0.16830%0.3CS..Hα-helixtrans-70.5-40.4179.1-174.758.9-164.600112.5L1472 D1475 R1476 R1481 R1482L1472-E1478 HydrophobicContact CD2-CG 4.47Å; D1475-E1478 HydrophobicContact CB-CB 3.81Å; D1475-E1478 PolarHBondContact O-N 3.23Å; D1475-E1478 PolarHBondContact OD1-N 3.41Å; D1475-E1478 VanDerWaalsContact OD1-N 3.09Å; R1476-E1478 VanDerWaalsContact C-N 3.32Å; E1478-R1481 PolarHBondContact O-N 3.29Å; E1478-R1481 IonicContact OE1-CZ 3.49Å; E1478-R1481 IonicContact OE1-NE 3.18Å; E1478-R1481 IonicContact OE1-NH2 3.88Å; E1478-R1481 PolarHBondContact OE1-NH2 2.87Å; E1478-R1481 IonicContact OE2-CZ 3.55Å; E1478-R1481 IonicContact OE2-NE 3.79Å; E1478-R1481 PolarHBondContact OE2-NE 3.01Å; E1478-R1481 IonicContact OE2-NH2 3.43Å; E1478-R1481 PolarHBondContact OE2-NH2 3.03Å; E1478-R1482 WeakPolarHBondContact O-CB 3.48Å; E1478-R1482 VanDerWaalsContact O-CG 3.3Å; E1478-R1482 WeakPolarHBondContact O-CG 3.46Å; E1478-R1482 PolarHBondContact O-N 3.41Å; E1478-R1482 WeakPolarHBondContact OE1-CD 3.33Å
1479I87.5Confident85.9Confident1 Ų162.5 Ų62.51%0.00531%0.309CS..Hα-helixtrans-65.2-42.3175.5-169.2170.4000111.7W1411 L1469 L1472 D1475 R1476 R1482 R1483W1411-I1479 HydrophobicContact CH2-CG2 4.43Å; W1411-I1479 HydrophobicContact CZ2-CG2 4.22Å; L1469-I1479 HydrophobicContact CD2-CD1 4Å; L1472-I1479 HydrophobicContact CD1-CB 3.69Å; L1472-I1479 HydrophobicContact CD1-CD1 4.1Å; L1472-I1479 HydrophobicContact CD1-CG1 3.8Å; D1475-I1479 PolarHBondContact O-N 3.02Å; D1475-I1479 VanDerWaalsContact O-N 3.14Å; R1476-I1479 WeakPolarHBondContact O-CG2 3.36Å; I1479-R1482 PolarHBondContact O-N 3.14Å; I1479-R1483 WeakPolarHBondContact O-CB 3.46Å; I1479-R1483 VanDerWaalsContact O-CG 3.28Å; I1479-R1483 WeakPolarHBondContact O-CG 3.39Å; I1479-R1483 PolarHBondContact O-N 3.13Å
1480E87.9Confident85.4Confident63 Ų6365.9 Ų65.929%0.29433%0.327SS..Hα-helixtrans-63.8-46.9177.2-74.1168.3-177.700110.4W1411 R1476 R1482 R1483 E1484W1411-E1480 PolarHBondContact NE1-OE1 3.23Å; R1476-E1480 WeakPolarHBondContact CG-OE1 3.45Å; R1476-E1480 IonicContact CZ-OE1 3.88Å; R1476-E1480 IonicContact NE-OE1 2.71Å; R1476-E1480 PolarHBondContact NE-OE1 2.69Å; R1476-E1480 IonicContact NE-OE2 3.54Å; R1476-E1480 IonicContact NH2-OE1 3.45Å; R1476-E1480 PolarHBondContact NH2-OE1 3.44Å; R1476-E1480 WeakPolarHBondContact O-CG 3.42Å; R1476-E1480 PolarHBondContact O-N 2.92Å; E1480-R1482 PolarHBondContact O-N 2.67Å; E1480-R1483 PolarHBondContact O-N 3.39Å; E1480-E1484 WeakPolarHBondContact O-CG 3.45Å; E1480-E1484 PolarHBondContact O-N 3.45Å
1481R90.3Very high85.3Confident127 Ų12765.8 Ų65.848%0.47933%0.331SS..Hα-helixtrans-59-43.7176.5-171.3-16874.875.10.9112.9S1477 E1478 A1485S1477-R1481 WeakPolarHBondContact O-CB 3.32Å; S1477-R1481 PolarHBondContact O-N 3.2Å; E1478-R1481 PolarHBondContact O-N 3.29Å; E1478-R1481 IonicContact OE1-CZ 3.49Å; E1478-R1481 IonicContact OE1-NE 3.18Å; E1478-R1481 IonicContact OE1-NH2 3.88Å; E1478-R1481 PolarHBondContact OE1-NH2 2.87Å; E1478-R1481 IonicContact OE2-CZ 3.55Å; E1478-R1481 IonicContact OE2-NE 3.79Å; E1478-R1481 PolarHBondContact OE2-NE 3.01Å; E1478-R1481 IonicContact OE2-NH2 3.43Å; E1478-R1481 PolarHBondContact OE2-NH2 3.03Å; R1481-A1485 WeakPolarHBondContact O-CB 3.19Å; R1481-A1485 PolarHBondContact O-N 2.89Å; R1481-A1485 VanDerWaalsContact O-N 3.11Å
1482R90.2Very high85.3Confident29 Ų2963.4 Ų63.411%0.10932%0.323CS..Hα-helixtrans-69.3-38.5178.8-71.1178.269.2159.81.7111.5E1478 I1479 E1480 A1485 C1486 D1492 V1495E1478-R1482 WeakPolarHBondContact O-CB 3.48Å; E1478-R1482 VanDerWaalsContact O-CG 3.3Å; E1478-R1482 WeakPolarHBondContact O-CG 3.46Å; E1478-R1482 PolarHBondContact O-N 3.41Å; E1478-R1482 WeakPolarHBondContact OE1-CD 3.33Å; I1479-R1482 PolarHBondContact O-N 3.14Å; E1480-R1482 PolarHBondContact O-N 2.67Å; R1482-A1485 PolarHBondContact O-N 2.92Å; R1482-C1486 PolarHBondContact O-N 3.37Å; R1482-D1492 IonicContact CZ-OD1 3.82Å; R1482-D1492 IonicContact CZ-OD2 3.46Å; R1482-D1492 VanDerWaalsContact CZ-OD2 3.23Å; R1482-D1492 IonicContact NE-OD1 3.15Å; R1482-D1492 IonicContact NE-OD2 3.56Å; R1482-D1492 PolarHBondContact NE-OD2 2.94Å; R1482-D1492 IonicContact NH2-OD1 3.78Å; R1482-D1492 PolarHBondContact NH2-OD1 2.99Å; R1482-D1492 IonicContact NH2-OD2 2.64Å; R1482-D1492 PolarHBondContact NH2-OD2 3.21Å; R1482-V1495 HydrophobicContact CB-CB 4.31Å; R1482-V1495 HydrophobicContact CB-CG1 4Å; R1482-V1495 HydrophobicContact CB-CG2 3.85Å
1483R92.7Very high85.6Confident36 Ų3663 Ų6314%0.13632%0.321CS..Hα-helixtrans-61.6-44.6174.4-79.8174.2172.9-175.2-3.9112.3S1419 I1479 E1480 A1485 C1486 Q1487 V1495S1419-R1483 VanDerWaalsContact CB-NH1 3.35Å; S1419-R1483 PolarHBondContact OG-NH1 3.35Å; S1419-R1483 PolarHBondContact OG-NH2 2.98Å; I1479-R1483 WeakPolarHBondContact O-CB 3.46Å; I1479-R1483 VanDerWaalsContact O-CG 3.28Å; I1479-R1483 WeakPolarHBondContact O-CG 3.39Å; I1479-R1483 PolarHBondContact O-N 3.13Å; E1480-R1483 PolarHBondContact O-N 3.39Å; R1483-A1485 VanDerWaalsContact C-N 3.34Å; R1483-A1485 PolarHBondContact O-N 3.26Å; R1483-C1486 PolarHBondContact O-N 3.2Å; R1483-C1486 PolarHBondContact O-SG 3.47Å; R1483-Q1487 PolarHBondContact O-N 3.38Å; R1483-V1495 HydrophobicContact CG-CB 4.19Å; R1483-V1495 HydrophobicContact CG-CG2 4.31Å; R1483-V1495 WeakPolarHBondContact CG-O 3.42Å; R1483-V1495 PolarHBondContact NE-O 3.01Å
1484E89.1Confident86.3Confident150 Ų15058.7 Ų58.770%0.70130%0.298SS*.Hα-helixtrans-61.7-41.5174.8-72.2175.6-178.200111.9E1480 C1486 Q1487E1480-E1484 WeakPolarHBondContact O-CG 3.45Å; E1480-E1484 PolarHBondContact O-N 3.45Å; E1484-C1486 VanDerWaalsContact C-N 3.34Å; E1484-C1486 PolarHBondContact O-N 3.41Å; E1484-Q1487 WeakPolarHBondContact O-CB 3.41Å; E1484-Q1487 PolarHBondContact O-N 3.3Å
1485A86.2Confident86.6Confident65 Ų6557.5 Ų57.554%0.53729%0.293SS..Hα-helixtrans-65.5-33178.900000113.5R1481 R1482 R1483 S1489R1481-A1485 WeakPolarHBondContact O-CB 3.19Å; R1481-A1485 PolarHBondContact O-N 2.89Å; R1481-A1485 VanDerWaalsContact O-N 3.11Å; R1482-A1485 PolarHBondContact O-N 2.92Å; R1483-A1485 VanDerWaalsContact C-N 3.34Å; R1483-A1485 PolarHBondContact O-N 3.26Å; A1485-S1489 PolarHBondContact O-OG 3.3Å; A1485-S1489 VanDerWaalsContact O-OG 3.05Å
1486C86.3Confident87.3Confident3 Ų354.9 Ų54.92%0.0228%0.279CS..Hα-helixtrans-86.8-2178.274.80000114.4R1482 R1483 E1484 N1488 S1489 N1491 D1492 R1500R1482-C1486 PolarHBondContact O-N 3.37Å; R1483-C1486 PolarHBondContact O-N 3.2Å; R1483-C1486 PolarHBondContact O-SG 3.47Å; E1484-C1486 VanDerWaalsContact C-N 3.34Å; E1484-C1486 PolarHBondContact O-N 3.41Å; C1486-N1488 VanDerWaalsContact C-N 3.26Å; C1486-N1488 PolarHBondContact O-N 3.47Å; C1486-S1489 PolarHBondContact O-N 2.94Å; C1486-N1491 VanDerWaalsContact CB-O 3.32Å; C1486-N1491 WeakPolarHBondContact CB-O 3.48Å; C1486-D1492 HydrophobicContact CB-CB 4.48Å; C1486-R1500 PolarHBondContact O-NE 3.38Å; C1486-R1500 PolarHBondContact O-NH2 3.28Å
1487Q83.5Confident87.7Confident96 Ų9651.8 Ų51.845%0.44927%0.27SS..THydrogen-bonded Turntrans-60.2-37.3-173.5-167.562.92200112.7R1483 E1484 R1500R1483-Q1487 PolarHBondContact O-N 3.38Å; E1484-Q1487 WeakPolarHBondContact O-CB 3.41Å; E1484-Q1487 PolarHBondContact O-N 3.3Å; Q1487-R1500 PolarHBondContact O-NE 2.95Å
1488N80.2Confident88.3Confident162 Ų16248.5 Ų48.587%0.86625%0.246SC*.THydrogen-bonded Turntrans-1156.5-177.7-61.3-28.4000113.6C1486C1486-N1488 VanDerWaalsContact C-N 3.26Å; C1486-N1488 PolarHBondContact O-N 3.47Å
1489S80.6Confident88.7Confident34 Ų3451.9 Ų51.924%0.23827%0.266CS..SBendtrans-125.2153.8-178.164.90000110.9A1485 C1486 N1491 R1500A1485-S1489 PolarHBondContact O-OG 3.3Å; A1485-S1489 VanDerWaalsContact O-OG 3.05Å; C1486-S1489 PolarHBondContact O-N 2.94Å; S1489-N1491 PolarHBondContact O-N 2.95Å; S1489-R1500 PolarHBondContact O-NH2 3.45Å
1490L81.2Confident89Confident73 Ų7352.7 Ų52.738%0.38227%0.269SS..SBendtrans-90.440.6175-61.7-179.8000111.4W1496 L1562L1490-W1496 HydrophobicContact CD2-CH2 3.78Å; L1490-W1496 HydrophobicContact CD2-CZ2 4.14Å; L1490-L1562 HydrophobicContact CB-CD2 4.13Å; L1490-L1562 HydrophobicContact CD2-CD2 4.28Å
1491N83.4Confident89.4Confident82 Ų8249.7 Ų49.744%0.43926%0.255SS..  trans-114.2160.3-178-63.5-29.6000109.7C1486 S1489 L1493 W1496C1486-N1491 VanDerWaalsContact CB-O 3.32Å; C1486-N1491 WeakPolarHBondContact CB-O 3.48Å; S1489-N1491 PolarHBondContact O-N 2.95Å; N1491-L1493 PolarHBondContact O-N 3.09Å; N1491-W1496 PolarHBondContact O-NE1 3.26Å
1492D86.9Confident89.6Confident18 Ų1844.3 Ų44.310%0.09624%0.235CC..  trans55.654.9170.1-161.61.5000114.3R1482 C1486 L1494 V1495 W1496 Y1566R1482-D1492 IonicContact CZ-OD1 3.82Å; R1482-D1492 IonicContact CZ-OD2 3.46Å; R1482-D1492 VanDerWaalsContact CZ-OD2 3.23Å; R1482-D1492 IonicContact NE-OD1 3.15Å; R1482-D1492 IonicContact NE-OD2 3.56Å; R1482-D1492 PolarHBondContact NE-OD2 2.94Å; R1482-D1492 IonicContact NH2-OD1 3.78Å; R1482-D1492 PolarHBondContact NH2-OD1 2.99Å; R1482-D1492 IonicContact NH2-OD2 2.64Å; R1482-D1492 PolarHBondContact NH2-OD2 3.21Å; C1486-D1492 HydrophobicContact CB-CB 4.48Å; D1492-L1494 PolarHBondContact O-N 3.42Å; D1492-V1495 HydrophobicContact CB-CG2 4.35Å; D1492-V1495 WeakPolarHBondContact O-CG2 3.35Å; D1492-V1495 PolarHBondContact O-N 3.17Å; D1492-W1496 PolarHBondContact O-NE1 3.06Å; D1492-Y1566 WeakPolarHBondContact CA-OH 3.35Å; D1492-Y1566 PolarHBondContact N-OH 2.99Å
1493L91.5Very high89.8Confident4 Ų445 Ų452%0.02125%0.247CC..G310 helixtrans-59.3-28.7-177.3-174.961000112.3N1491 V1495 W1496 G1524 M1527 V1528 L1562 L1563 Y1566N1491-L1493 PolarHBondContact O-N 3.09Å; L1493-V1495 PolarHBondContact O-N 3.38Å; L1493-V1495 VanDerWaalsContact O-N 3.13Å; L1493-W1496 HydrophobicContact CD1-CB 4.36Å; L1493-W1496 HydrophobicContact CD1-CD2 3.44Å; L1493-W1496 VanDerWaalsContact CD1-CD2 3.44Å; L1493-W1496 HydrophobicContact CD1-CE3 3.42Å; L1493-W1496 VanDerWaalsContact CD1-CE3 3.42Å; L1493-W1496 HydrophobicContact CD1-CG 3.88Å; L1493-W1496 HydrophobicContact CD1-CH2 4.28Å; L1493-W1496 HydrophobicContact CD1-CZ2 4.31Å; L1493-W1496 HydrophobicContact CD1-CZ3 3.85Å; L1493-W1496 WeakPolarHBondContact O-CB 3.47Å; L1493-W1496 PolarHBondContact O-N 3.43Å; L1493-W1496 VanDerWaalsContact O-N 3.15Å; L1493-G1524 CarbonylContact O-C 3.39Å; L1493-G1524 WeakPolarHBondContact O-CA 3.33Å; L1493-M1527 HydrophobicContact CD1-SD 4.44Å; L1493-V1528 HydrophobicContact CB-CG2 3.77Å; L1493-V1528 HydrophobicContact CD2-CG2 3.57Å; L1493-V1528 HydrophobicContact CG-CG2 3.58Å; L1493-L1562 HydrophobicContact CD2-CB 4.22Å; L1493-L1563 HydrophobicContact CD2-CD2 3.64Å; L1493-Y1566 HydrophobicContact CB-CE2 3.74Å; L1493-Y1566 PolarHBondContact N-OH 3.35Å
1494L91.2Very high89.9Confident15 Ų1543.3 Ų43.38%0.07924%0.241CC..G310 helixtrans-54.7-35-178.6-179.965.2000113.2C1468 D1492 A1525 L1529C1468-L1494 PolarHBondContact SG-O 3.13Å; C1468-L1494 VanDerWaalsContact SG-O 3.41Å; D1492-L1494 PolarHBondContact O-N 3.42Å; L1494-A1525 HydrophobicContact CD1-CB 4.06Å; L1494-A1525 WeakPolarHBondContact O-CB 3.45Å; L1494-A1525 PolarHBondContact O-N 3.48Å; L1494-L1529 HydrophobicContact CD1-CD1 3.88Å; L1494-L1529 HydrophobicContact CD1-CD2 3.98Å; L1494-L1529 HydrophobicContact CD1-CG 3.87Å
1495V92.2Very high90.1Very high1 Ų136.1 Ų36.11%0.00621%0.207CC..G310 helixtrans-95.9-2.9-175.3-590000114.1L1472 R1482 R1483 D1492 L1493 S1497L1472-V1495 HydrophobicContact CD1-CG1 4.05Å; R1482-V1495 HydrophobicContact CB-CB 4.31Å; R1482-V1495 HydrophobicContact CB-CG1 4Å; R1482-V1495 HydrophobicContact CB-CG2 3.85Å; R1483-V1495 HydrophobicContact CG-CB 4.19Å; R1483-V1495 HydrophobicContact CG-CG2 4.31Å; R1483-V1495 WeakPolarHBondContact CG-O 3.42Å; R1483-V1495 PolarHBondContact NE-O 3.01Å; D1492-V1495 HydrophobicContact CB-CG2 4.35Å; D1492-V1495 WeakPolarHBondContact O-CG2 3.35Å; D1492-V1495 PolarHBondContact O-N 3.17Å; L1493-V1495 PolarHBondContact O-N 3.38Å; L1493-V1495 VanDerWaalsContact O-N 3.13Å; V1495-S1497 PolarHBondContact O-N 3Å
1496W95.9Very high90.5Very high1 Ų138.1 Ų38.10%0.00420%0.204CC..  trans-59.7129.8-175.9-7624.7000111.5L1490 N1491 D1492 L1493 R1500 V1501 W1504 G1524 L1562L1490-W1496 HydrophobicContact CD2-CH2 3.78Å; L1490-W1496 HydrophobicContact CD2-CZ2 4.14Å; N1491-W1496 PolarHBondContact O-NE1 3.26Å; D1492-W1496 PolarHBondContact O-NE1 3.06Å; L1493-W1496 HydrophobicContact CD1-CB 4.36Å; L1493-W1496 HydrophobicContact CD1-CD2 3.44Å; L1493-W1496 VanDerWaalsContact CD1-CD2 3.44Å; L1493-W1496 HydrophobicContact CD1-CE3 3.42Å; L1493-W1496 VanDerWaalsContact CD1-CE3 3.42Å; L1493-W1496 HydrophobicContact CD1-CG 3.88Å; L1493-W1496 HydrophobicContact CD1-CH2 4.28Å; L1493-W1496 HydrophobicContact CD1-CZ2 4.31Å; L1493-W1496 HydrophobicContact CD1-CZ3 3.85Å; L1493-W1496 WeakPolarHBondContact O-CB 3.47Å; L1493-W1496 PolarHBondContact O-N 3.43Å; L1493-W1496 VanDerWaalsContact O-N 3.15Å; W1496-R1500 HydrophobicContact CB-CB 4.29Å; W1496-R1500 HydrophobicContact CB-CG 4.12Å; W1496-R1500 HydrophobicContact CD2-CG 3.58Å; W1496-R1500 HydrophobicContact CE3-CG 3.85Å; W1496-R1500 HydrophobicContact CG-CB 4.42Å; W1496-R1500 HydrophobicContact CG-CG 3.72Å; W1496-V1501 HydrophobicContact CB-CG2 4.41Å; W1496-V1501 HydrophobicContact CE3-CG2 4.12Å; W1496-W1504 HydrophobicContact CH2-CB 4.06Å; W1496-W1504 HydrophobicContact CH2-CG 4.01Å; W1496-W1504 HydrophobicContact CZ3-CB 3.62Å; W1496-W1504 HydrophobicContact CZ3-CD2 4.23Å; W1496-W1504 AromaticContact CZ3-CG 3.75Å; W1496-W1504 HydrophobicContact CZ3-CG 3.75Å; W1496-G1524 PolarHBondContact O-N 3.31Å; W1496-L1562 HydrophobicContact CH2-CD1 4.11Å; W1496-L1562 HydrophobicContact CH2-CD2 4.28Å; W1496-L1562 HydrophobicContact CZ3-CD1 4.14Å
1497S94.8Very high90.7Very high17 Ų1742 Ų4212%0.11923%0.231CC..  trans-74.8162.2169.361.30000111.3S1419 V1495 D1499 R1500 V1501S1419-S1497 CarbonylContact O-C 3.49Å; S1419-S1497 VanDerWaalsContact O-CA 3.26Å; S1419-S1497 WeakPolarHBondContact O-CA 3.47Å; V1495-S1497 PolarHBondContact O-N 3Å; S1497-D1499 VanDerWaalsContact C-N 3.26Å; S1497-D1499 PolarHBondContact O-N 2.94Å; S1497-R1500 WeakPolarHBondContact O-CB 3.38Å; S1497-R1500 PolarHBondContact O-N 2.8Å; S1497-R1500 PolarHBondContact OG-N 3.4Å; S1497-V1501 WeakPolarHBondContact O-CG2 3.33Å; S1497-V1501 PolarHBondContact O-N 3.47Å
1498N96.1Very high91Very high5 Ų538.2 Ų38.23%0.02721%0.214CC..Hα-helixtrans-51.9-45.5170.3178.3-102.9000111.5S1419 R1500 V1501 I1502 L1517 V1522S1419-N1498 PolarHBondContact O-N 3.2Å; N1498-R1500 VanDerWaalsContact C-N 3.29Å; N1498-R1500 PolarHBondContact O-N 2.82Å; N1498-V1501 WeakPolarHBondContact O-CB 3.3Å; N1498-V1501 PolarHBondContact O-N 3.43Å; N1498-V1501 VanDerWaalsContact O-N 3.1Å; N1498-I1502 WeakPolarHBondContact O-CG1 3.33Å; N1498-I1502 PolarHBondContact O-N 3Å; N1498-I1502 WeakPolarHBondContact OD1-CD1 3.42Å; N1498-L1517 PolarHBondContact ND2-O 3.35Å; N1498-L1517 PolarHBondContact OD1-O 2.93Å; N1498-V1522 WeakPolarHBondContact CB-O 3.35Å; N1498-V1522 PolarHBondContact ND2-O 2.85Å
1499D95Very high91.5Very high107 Ų10732.4 Ų32.457%0.57219%0.192SC*.Hα-helixtrans-58.3-38.2175.4-64.4-44.5000113.2S1497 I1502 A1503S1497-D1499 VanDerWaalsContact C-N 3.26Å; S1497-D1499 PolarHBondContact O-N 2.94Å; D1499-I1502 PolarHBondContact O-N 3.44Å; D1499-A1503 WeakPolarHBondContact O-CB 3.4Å; D1499-A1503 PolarHBondContact O-N 2.96Å
1500R94.4Very high91.9Very high18 Ų1830.8 Ų30.87%0.06818%0.181CC..Hα-helixtrans-68.1-38.7177.2179.163.6-174105-4.6111.5C1486 Q1487 S1489 W1496 S1497 N1498 A1503 W1504C1486-R1500 PolarHBondContact O-NE 3.38Å; C1486-R1500 PolarHBondContact O-NH2 3.28Å; Q1487-R1500 PolarHBondContact O-NE 2.95Å; S1489-R1500 PolarHBondContact O-NH2 3.45Å; W1496-R1500 HydrophobicContact CB-CB 4.29Å; W1496-R1500 HydrophobicContact CB-CG 4.12Å; W1496-R1500 HydrophobicContact CD2-CG 3.58Å; W1496-R1500 HydrophobicContact CE3-CG 3.85Å; W1496-R1500 HydrophobicContact CG-CB 4.42Å; W1496-R1500 HydrophobicContact CG-CG 3.72Å; S1497-R1500 WeakPolarHBondContact O-CB 3.38Å; S1497-R1500 PolarHBondContact O-N 2.8Å; S1497-R1500 PolarHBondContact OG-N 3.4Å; N1498-R1500 VanDerWaalsContact C-N 3.29Å; N1498-R1500 PolarHBondContact O-N 2.82Å; R1500-A1503 PolarHBondContact O-N 2.96Å; R1500-W1504 PolarHBondContact O-N 2.98Å
1501V95.4Very high92.4Very high0 Ų032 Ų320%019%0.188CC..Hα-helixtrans-63.8-45173.5179.50000110.2W1496 S1497 N1498 A1503 W1504 L1505 L1517 M1527 F1538W1496-V1501 HydrophobicContact CB-CG2 4.41Å; W1496-V1501 HydrophobicContact CE3-CG2 4.12Å; S1497-V1501 WeakPolarHBondContact O-CG2 3.33Å; S1497-V1501 PolarHBondContact O-N 3.47Å; N1498-V1501 WeakPolarHBondContact O-CB 3.3Å; N1498-V1501 PolarHBondContact O-N 3.43Å; N1498-V1501 VanDerWaalsContact O-N 3.1Å; V1501-A1503 VanDerWaalsContact C-N 3.34Å; V1501-A1503 PolarHBondContact O-N 3.43Å; V1501-W1504 HydrophobicContact CG1-CE3 4.45Å; V1501-W1504 PolarHBondContact O-N 3.3Å; V1501-L1505 WeakPolarHBondContact O-CG 3.4Å; V1501-L1505 PolarHBondContact O-N 3.07Å; V1501-L1517 HydrophobicContact CB-CD1 4.49Å; V1501-L1517 HydrophobicContact CG1-CD1 3.67Å; V1501-M1527 HydrophobicContact CG1-SD 4.24Å; V1501-M1527 HydrophobicContact CG2-SD 3.93Å; V1501-F1538 HydrophobicContact CG1-CZ 3.92Å
1502I94.7Very high92.6Very high15 Ų1533.4 Ų33.48%0.07719%0.191CC..Hα-helixtrans-58-46.6174.3-68.4172.9000110.5N1498 D1499 W1504 L1505 K1506 A1514 L1517 I1518N1498-I1502 WeakPolarHBondContact O-CG1 3.33Å; N1498-I1502 PolarHBondContact O-N 3Å; N1498-I1502 WeakPolarHBondContact OD1-CD1 3.42Å; D1499-I1502 PolarHBondContact O-N 3.44Å; I1502-W1504 VanDerWaalsContact C-N 3.32Å; I1502-W1504 PolarHBondContact O-N 3.25Å; I1502-L1505 PolarHBondContact O-N 2.93Å; I1502-K1506 HydrophobicContact CG2-CD 4.43Å; I1502-K1506 WeakPolarHBondContact O-CG 3.42Å; I1502-K1506 PolarHBondContact O-N 3.5Å; I1502-A1514 HydrophobicContact CG2-CB 4.1Å; I1502-L1517 HydrophobicContact CD1-CB 4.17Å; I1502-L1517 HydrophobicContact CG1-CB 3.87Å; I1502-L1517 HydrophobicContact CG1-CD1 4.34Å; I1502-I1518 HydrophobicContact CD1-CG1 3.9Å
1503A94.2Very high92.9Very high42 Ų4234 Ų3435%0.34719%0.193SC..Hα-helixtrans-62.5-38.9177.600000112.3D1499 R1500 V1501 K1506 S1507D1499-A1503 WeakPolarHBondContact O-CB 3.4Å; D1499-A1503 PolarHBondContact O-N 2.96Å; R1500-A1503 PolarHBondContact O-N 2.96Å; V1501-A1503 VanDerWaalsContact C-N 3.34Å; V1501-A1503 PolarHBondContact O-N 3.43Å; A1503-K1506 PolarHBondContact O-N 3.46Å; A1503-S1507 PolarHBondContact O-N 3.33Å
1504W94.1Very high92.9Very high1 Ų133.8 Ų33.80%0.00419%0.192CC..Hα-helixtrans-65.8-44.3174.3167.774.8000112.1W1496 R1500 V1501 I1502 K1506 S1507 I1508 F1538 L1555 E1558 L1562W1496-W1504 HydrophobicContact CH2-CB 4.06Å; W1496-W1504 HydrophobicContact CH2-CG 4.01Å; W1496-W1504 HydrophobicContact CZ3-CB 3.62Å; W1496-W1504 HydrophobicContact CZ3-CD2 4.23Å; W1496-W1504 AromaticContact CZ3-CG 3.75Å; W1496-W1504 HydrophobicContact CZ3-CG 3.75Å; R1500-W1504 PolarHBondContact O-N 2.98Å; V1501-W1504 HydrophobicContact CG1-CE3 4.45Å; V1501-W1504 PolarHBondContact O-N 3.3Å; I1502-W1504 VanDerWaalsContact C-N 3.32Å; I1502-W1504 PolarHBondContact O-N 3.25Å; W1504-K1506 VanDerWaalsContact C-N 3.26Å; W1504-K1506 PolarHBondContact O-N 2.88Å; W1504-S1507 WeakPolarHBondContact CA-OG 3.41Å; W1504-S1507 WeakPolarHBondContact O-CA 3.29Å; W1504-S1507 WeakPolarHBondContact O-CB 3.49Å; W1504-S1507 PolarHBondContact O-N 3.41Å; W1504-S1507 PolarHBondContact O-OG 2.9Å; W1504-I1508 HydrophobicContact CH2-CD1 4Å; W1504-I1508 HydrophobicContact CZ2-CD1 4.01Å; W1504-I1508 HydrophobicContact CZ2-CG2 4.28Å; W1504-I1508 HydrophobicContact CZ3-CD1 4.35Å; W1504-I1508 PolarHBondContact O-N 3.46Å; W1504-F1538 HydrophobicContact CH2-CE1 4.46Å; W1504-F1538 AromaticContact CZ3-CE1 3.88Å; W1504-F1538 HydrophobicContact CZ3-CE1 3.88Å; W1504-F1538 HydrophobicContact CZ3-CZ 4.38Å; W1504-L1555 HydrophobicContact CH2-CD1 4.35Å; W1504-E1558 HydrophobicContact CZ2-CB 3.8Å; W1504-L1562 HydrophobicContact CD2-CD1 3.88Å; W1504-L1562 HydrophobicContact CE3-CD1 4.41Å; W1504-L1562 HydrophobicContact CG-CD1 4.43Å; W1504-L1562 HydrophobicContact CH2-CD1 3.98Å; W1504-L1562 HydrophobicContact CZ2-CD1 3.37Å; W1504-L1562 HydrophobicContact CZ2-CG 4.14Å; W1504-L1562 HydrophobicContact CZ3-CD1 4.46Å
1505L94.6Very high92.9Very high0 Ų039.9 Ų39.90%022%0.217CC..Hα-helixtrans-58-39.9175.4-76176.8000112.3V1501 I1502 S1507 I1508 G1509 L1510 A1514 L1517 F1538 L1542 L1555V1501-L1505 WeakPolarHBondContact O-CG 3.4Å; V1501-L1505 PolarHBondContact O-N 3.07Å; I1502-L1505 PolarHBondContact O-N 2.93Å; L1505-S1507 VanDerWaalsContact C-N 3.33Å; L1505-S1507 PolarHBondContact O-N 2.96Å; L1505-I1508 HydrophobicContact CD2-CD1 3.97Å; L1505-I1508 WeakPolarHBondContact O-CG1 3.44Å; L1505-I1508 PolarHBondContact O-N 2.89Å; L1505-G1509 PolarHBondContact O-N 3Å; L1505-L1510 HydrophobicContact CD2-CD1 4.07Å; L1505-L1510 PolarHBondContact O-N 3.46Å; L1505-A1514 HydrophobicContact CB-CB 3.89Å; L1505-A1514 HydrophobicContact CD1-CB 4.42Å; L1505-L1517 HydrophobicContact CD1-CD1 3.39Å; L1505-L1517 HydrophobicContact CD1-CG 4.05Å; L1505-F1538 HydrophobicContact CD1-CZ 4.08Å; L1505-F1538 HydrophobicContact CD2-CE1 4.31Å; L1505-F1538 HydrophobicContact CD2-CZ 4.22Å; L1505-F1538 HydrophobicContact CG-CZ 4.45Å; L1505-L1542 HydrophobicContact CD1-CD1 4.05Å; L1505-L1542 HydrophobicContact CD1-CD2 3.55Å; L1505-L1542 HydrophobicContact CD1-CG 4.4Å; L1505-L1542 HydrophobicContact CD2-CD1 4.09Å; L1505-L1555 HydrophobicContact CD2-CD1 3.81Å
1506K93.6Very high92.9Very high107 Ų10742 Ų4247%0.46523%0.229SC..Hα-helixtrans-62.2-40.7172.4-68-179.6178178.60111.8I1502 A1503 W1504 I1508 G1509 N1511 A1514I1502-K1506 HydrophobicContact CG2-CD 4.43Å; I1502-K1506 WeakPolarHBondContact O-CG 3.42Å; I1502-K1506 PolarHBondContact O-N 3.5Å; A1503-K1506 PolarHBondContact O-N 3.46Å; W1504-K1506 VanDerWaalsContact C-N 3.26Å; W1504-K1506 PolarHBondContact O-N 2.88Å; K1506-I1508 PolarHBondContact O-N 3.47Å; K1506-G1509 PolarHBondContact O-N 2.91Å; K1506-G1509 VanDerWaalsContact O-N 3.14Å; K1506-N1511 WeakPolarHBondContact CD-OD1 3.46Å; K1506-N1511 VanDerWaalsContact CE-OD1 3.31Å; K1506-N1511 WeakPolarHBondContact CE-OD1 3.45Å; K1506-N1511 HydrophobicContact CG-CB 4.31Å; K1506-N1511 VanDerWaalsContact CG-OD1 3.32Å; K1506-N1511 WeakPolarHBondContact CG-OD1 3.49Å; K1506-A1514 HydrophobicContact CG-CB 3.86Å
1507S90.8Very high92.8Very high85 Ų8542 Ų4259%0.59423%0.228SC*.Hα-helixtrans-68-30.6179.976.20000114A1503 W1504 L1505 G1509A1503-S1507 PolarHBondContact O-N 3.33Å; W1504-S1507 WeakPolarHBondContact CA-OG 3.41Å; W1504-S1507 WeakPolarHBondContact O-CA 3.29Å; W1504-S1507 WeakPolarHBondContact O-CB 3.49Å; W1504-S1507 PolarHBondContact O-N 3.41Å; W1504-S1507 PolarHBondContact O-OG 2.9Å; L1505-S1507 VanDerWaalsContact C-N 3.33Å; L1505-S1507 PolarHBondContact O-N 2.96Å; S1507-G1509 VanDerWaalsContact C-N 3.27Å; S1507-G1509 PolarHBondContact O-N 2.94Å
1508I90.7Very high92.7Very high16 Ų1646.1 Ų46.18%0.08225%0.248CC..THydrogen-bonded Turntrans-83.3-1.8174.567.8170.8000112.6W1504 L1505 K1506 L1510 K1554 L1555 E1558W1504-I1508 HydrophobicContact CH2-CD1 4Å; W1504-I1508 HydrophobicContact CZ2-CD1 4.01Å; W1504-I1508 HydrophobicContact CZ2-CG2 4.28Å; W1504-I1508 HydrophobicContact CZ3-CD1 4.35Å; W1504-I1508 PolarHBondContact O-N 3.46Å; L1505-I1508 HydrophobicContact CD2-CD1 3.97Å; L1505-I1508 WeakPolarHBondContact O-CG1 3.44Å; L1505-I1508 PolarHBondContact O-N 2.89Å; K1506-I1508 PolarHBondContact O-N 3.47Å; I1508-L1510 HydrophobicContact CD1-CD1 3.77Å; I1508-L1510 HydrophobicContact CD1-CG 4.21Å; I1508-L1510 HydrophobicContact CG1-CB 4.48Å; I1508-L1510 HydrophobicContact CG1-CD1 4.32Å; I1508-L1510 HydrophobicContact CG1-CG 4.22Å; I1508-K1554 WeakPolarHBondContact O-CE 3.37Å; I1508-K1554 PolarHBondContact O-NZ 3.5Å; I1508-L1555 HydrophobicContact CD1-CD1 4.46Å; I1508-E1558 HydrophobicContact CB-CG 4.35Å; I1508-E1558 HydrophobicContact CD1-CB 4.25Å; I1508-E1558 HydrophobicContact CG2-CB 4.26Å; I1508-E1558 HydrophobicContact CG2-CG 3.97Å
1509G89Confident92.6Very high40 Ų4048.5 Ų48.541%0.41226%0.261SS..THydrogen-bonded Turntrans93.211.8177.100000115.8L1505 K1506 S1507 N1511L1505-G1509 PolarHBondContact O-N 3Å; K1506-G1509 PolarHBondContact O-N 2.91Å; K1506-G1509 VanDerWaalsContact O-N 3.14Å; S1507-G1509 VanDerWaalsContact C-N 3.27Å; S1507-G1509 PolarHBondContact O-N 2.94Å; G1509-N1511 VanDerWaalsContact C-N 3.3Å; G1509-N1511 PolarHBondContact O-N 3.22Å
1510L90.8Very high92.5Very high0 Ų044 Ų440%024%0.238CC..  trans-9542.6174.4-63.7178000111.7L1505 I1508 E1512 Y1513 A1514 I1544 M1551 L1555L1505-L1510 HydrophobicContact CD2-CD1 4.07Å; L1505-L1510 PolarHBondContact O-N 3.46Å; I1508-L1510 HydrophobicContact CD1-CD1 3.77Å; I1508-L1510 HydrophobicContact CD1-CG 4.21Å; I1508-L1510 HydrophobicContact CG1-CB 4.48Å; I1508-L1510 HydrophobicContact CG1-CD1 4.32Å; I1508-L1510 HydrophobicContact CG1-CG 4.22Å; L1510-E1512 VanDerWaalsContact C-N 3.31Å; L1510-E1512 PolarHBondContact O-N 3.11Å; L1510-Y1513 HydrophobicContact CD2-CD2 4.12Å; L1510-Y1513 HydrophobicContact CD2-CE2 4.49Å; L1510-Y1513 PolarHBondContact O-N 2.89Å; L1510-A1514 WeakPolarHBondContact O-CB 3.48Å; L1510-A1514 PolarHBondContact O-N 3.37Å; L1510-A1514 VanDerWaalsContact O-N 3.08Å; L1510-I1544 HydrophobicContact CD1-CD1 4.44Å; L1510-M1551 HydrophobicContact CD2-CB 3.98Å; L1510-M1551 HydrophobicContact CD2-CE 3.71Å; L1510-M1551 HydrophobicContact CD2-CG 4.15Å; L1510-M1551 HydrophobicContact CD2-SD 3.49Å; L1510-M1551 WeakPolarHBondContact CD2-SD 3.49Å; L1510-L1555 HydrophobicContact CD1-CB 3.98Å; L1510-L1555 HydrophobicContact CD1-CD1 3.86Å; L1510-L1555 HydrophobicContact CD1-CG 4.44Å
1511N90.1Very high92.5Very high99 Ų9943.1 Ų43.153%0.52924%0.235SC..Hα-helixtrans-63.7-34.9-172.9-174.529.2000113.1K1506 G1509 Y1513 A1514K1506-N1511 WeakPolarHBondContact CD-OD1 3.46Å; K1506-N1511 VanDerWaalsContact CE-OD1 3.31Å; K1506-N1511 WeakPolarHBondContact CE-OD1 3.45Å; K1506-N1511 HydrophobicContact CG-CB 4.31Å; K1506-N1511 VanDerWaalsContact CG-OD1 3.32Å; K1506-N1511 WeakPolarHBondContact CG-OD1 3.49Å; G1509-N1511 VanDerWaalsContact C-N 3.3Å; G1509-N1511 PolarHBondContact O-N 3.22Å; N1511-Y1513 VanDerWaalsContact C-N 3.33Å; N1511-Y1513 PolarHBondContact O-N 3.22Å; N1511-A1514 PolarHBondContact O-N 3.15Å
1512E89Confident92.6Very high111 Ų11143.1 Ų43.152%0.51924%0.235SC..Hα-helixtrans-66.8-33-17966.9-165154.600113.3L1510 K1515 M1551L1510-E1512 VanDerWaalsContact C-N 3.31Å; L1510-E1512 PolarHBondContact O-N 3.11Å; E1512-K1515 WeakPolarHBondContact O-CE 3.24Å; E1512-M1551 WeakPolarHBondContact OE1-CE 3.45Å
1513Y91.7Very high92.6Very high30 Ų3042.6 Ų42.612%0.11823%0.232CC..Hα-helixtrans-91.2-22.9179.6-55.4-71.4000113L1510 N1511 K1515 N1516 L1542 I1544 D1548 M1551L1510-Y1513 HydrophobicContact CD2-CD2 4.12Å; L1510-Y1513 HydrophobicContact CD2-CE2 4.49Å; L1510-Y1513 PolarHBondContact O-N 2.89Å; N1511-Y1513 VanDerWaalsContact C-N 3.33Å; N1511-Y1513 PolarHBondContact O-N 3.22Å; Y1513-K1515 PolarHBondContact O-N 3.3Å; Y1513-K1515 VanDerWaalsContact O-N 3.11Å; Y1513-N1516 VanDerWaalsContact O-CB 3.24Å; Y1513-N1516 WeakPolarHBondContact O-CB 3.3Å; Y1513-N1516 PolarHBondContact O-N 2.96Å; Y1513-L1542 WeakPolarHBondContact O-CD2 3.43Å; Y1513-I1544 HydrophobicContact CD1-CG1 3.9Å; Y1513-I1544 HydrophobicContact CD2-CD1 4.37Å; Y1513-I1544 HydrophobicContact CD2-CG1 4.01Å; Y1513-I1544 HydrophobicContact CE1-CG1 4.17Å; Y1513-I1544 HydrophobicContact CE2-CG1 4.26Å; Y1513-I1544 HydrophobicContact CG-CD1 4.49Å; Y1513-I1544 HydrophobicContact CG-CG1 3.82Å; Y1513-D1548 PolarHBondContact OH-OD2 3.16Å; Y1513-M1551 HydrophobicContact CE2-CE 4.2Å; Y1513-M1551 HydrophobicContact CE2-CG 4.45Å
1514A92.7Very high92.7Very high0 Ų040.6 Ų40.60%022%0.215CC..Hα-helixtrans-57.8-31.8-173.200000114I1502 L1505 K1506 L1510 N1511 N1516 L1517I1502-A1514 HydrophobicContact CG2-CB 4.1Å; L1505-A1514 HydrophobicContact CB-CB 3.89Å; L1505-A1514 HydrophobicContact CD1-CB 4.42Å; K1506-A1514 HydrophobicContact CG-CB 3.86Å; L1510-A1514 WeakPolarHBondContact O-CB 3.48Å; L1510-A1514 PolarHBondContact O-N 3.37Å; L1510-A1514 VanDerWaalsContact O-N 3.08Å; N1511-A1514 PolarHBondContact O-N 3.15Å; A1514-N1516 PolarHBondContact O-N 2.93Å; A1514-L1517 PolarHBondContact O-N 2.96Å
1515K91.3Very high92.7Very high142 Ų14240.6 Ų40.662%0.61722%0.215SC*.G310 helixtrans-64.4-22.9176.364.9-178.4179178.60113.5E1512 Y1513 L1517 I1518E1512-K1515 WeakPolarHBondContact O-CE 3.24Å; Y1513-K1515 PolarHBondContact O-N 3.3Å; Y1513-K1515 VanDerWaalsContact O-N 3.11Å; K1515-L1517 PolarHBondContact O-N 3.12Å; K1515-I1518 WeakPolarHBondContact O-CG1 3.41Å; K1515-I1518 PolarHBondContact O-N 3.4Å
1516N92.7Very high92.7Very high46 Ų4640.6 Ų40.625%0.24622%0.215CC..G310 helixtrans-71.4-11.6-179.1-61.1-16.5000112.3Y1513 A1514 I1518 L1542Y1513-N1516 VanDerWaalsContact O-CB 3.24Å; Y1513-N1516 WeakPolarHBondContact O-CB 3.3Å; Y1513-N1516 PolarHBondContact O-N 2.96Å; A1514-N1516 PolarHBondContact O-N 2.93Å; N1516-I1518 VanDerWaalsContact C-N 3.34Å; N1516-L1542 PolarHBondContact ND2-O 3.04Å
1517L93.7Very high92.7Very high0 Ų035.5 Ų35.50%019%0.193CC..G310 helixtrans-81.3-10.4173.9-65.5-166.8000114.6N1498 V1501 I1502 L1505 A1514 K1515 D1519 S1520 V1522 F1538 I1541 L1542N1498-L1517 PolarHBondContact ND2-O 3.35Å; N1498-L1517 PolarHBondContact OD1-O 2.93Å; V1501-L1517 HydrophobicContact CB-CD1 4.49Å; V1501-L1517 HydrophobicContact CG1-CD1 3.67Å; I1502-L1517 HydrophobicContact CD1-CB 4.17Å; I1502-L1517 HydrophobicContact CG1-CB 3.87Å; I1502-L1517 HydrophobicContact CG1-CD1 4.34Å; L1505-L1517 HydrophobicContact CD1-CD1 3.39Å; L1505-L1517 HydrophobicContact CD1-CG 4.05Å; A1514-L1517 PolarHBondContact O-N 2.96Å; K1515-L1517 PolarHBondContact O-N 3.12Å; L1517-D1519 PolarHBondContact O-N 3.45Å; L1517-S1520 WeakPolarHBondContact CA-OG 3.29Å; L1517-S1520 WeakPolarHBondContact O-CB 3.39Å; L1517-S1520 PolarHBondContact O-N 2.86Å; L1517-S1520 VanDerWaalsContact O-N 3.15Å; L1517-S1520 PolarHBondContact O-OG 2.87Å; L1517-V1522 HydrophobicContact CD2-CB 4.24Å; L1517-V1522 HydrophobicContact CD2-CG2 4.17Å; L1517-F1538 HydrophobicContact CD1-CE2 3.79Å; L1517-F1538 HydrophobicContact CD1-CZ 4.04Å; L1517-F1538 HydrophobicContact CD2-CE2 3.83Å; L1517-F1538 HydrophobicContact CG-CE2 4.42Å; L1517-I1541 HydrophobicContact CD2-CG2 3.8Å; L1517-L1542 HydrophobicContact CD1-CD2 4.18Å; L1517-L1542 HydrophobicContact CD2-CD2 3.56Å; L1517-L1542 HydrophobicContact CD2-CG 4.03Å; L1517-L1542 HydrophobicContact CG-CD2 3.57Å
1518I92.8Very high92.7Very high105 Ų10532.9 Ų32.954%0.53817%0.174SC..THydrogen-bonded Turntrans-63.9129.1174.4-60.5171000107.7I1502 K1515 N1516 S1520I1502-I1518 HydrophobicContact CD1-CG1 3.9Å; K1515-I1518 WeakPolarHBondContact O-CG1 3.41Å; K1515-I1518 PolarHBondContact O-N 3.4Å; N1516-I1518 VanDerWaalsContact C-N 3.34Å; I1518-S1520 PolarHBondContact O-N 2.89Å; I1518-S1520 VanDerWaalsContact O-N 3.17Å
1519D92.8Very high92.6Very high55 Ų5533.1 Ų33.129%0.29418%0.175SC..THydrogen-bonded Turntrans60.615.9-175.4-69.7-41.2000116G1421 A1423 R1424 H1458 L1517G1421-D1519 CarbonylContact O-C 3.13Å; G1421-D1519 WeakPolarHBondContact O-CA 3.38Å; A1423-D1519 WeakPolarHBondContact CA-OD1 3.38Å; A1423-D1519 WeakPolarHBondContact CB-OD1 3.36Å; A1423-D1519 PolarHBondContact N-OD1 2.95Å; A1423-D1519 VanDerWaalsContact N-OD1 3.12Å; R1424-D1519 HydrophobicContact CB-CB 4.48Å; R1424-D1519 PolarHBondContact N-OD1 3.44Å; H1458-D1519 PolarHBondContact NE2-O 3.08Å; L1517-D1519 PolarHBondContact O-N 3.45Å
1520S92.9Very high92.7Very high12 Ų1231.6 Ų31.68%0.08416%0.157CC..SBendtrans-81.9-19.1177.5670000114.4G1421 F1457 H1458 L1517 I1518 V1522G1421-S1520 PolarHBondContact O-N 2.9Å; F1457-S1520 WeakPolarHBondContact CD1-O 3.24Å; F1457-S1520 WeakPolarHBondContact CE1-O 3.26Å; H1458-S1520 PolarHBondContact CD2-O 3.47Å; H1458-S1520 PolarHBondContact NE2-O 3.3Å; L1517-S1520 WeakPolarHBondContact CA-OG 3.29Å; L1517-S1520 WeakPolarHBondContact O-CB 3.39Å; L1517-S1520 PolarHBondContact O-N 2.86Å; L1517-S1520 VanDerWaalsContact O-N 3.15Å; L1517-S1520 PolarHBondContact O-OG 2.87Å; I1518-S1520 PolarHBondContact O-N 2.89Å; I1518-S1520 VanDerWaalsContact O-N 3.17Å; S1520-V1522 VanDerWaalsContact C-N 3.32Å; S1520-V1522 PolarHBondContact OG-N 3.35Å
1521G95.5Very high92.3Very high0 Ų034.5 Ų34.50%018%0.176CC..  trans79.51.8-169.800000115.5L1420 G1421 S1461 H1523L1420-G1521 CarbonylContact O-C 3.15Å; L1420-G1521 VanDerWaalsContact O-CA 3.28Å; L1420-G1521 WeakPolarHBondContact O-CA 3.4Å; G1421-G1521 WeakPolarHBondContact O-CA 3.43Å; G1421-G1521 PolarHBondContact O-N 3.5Å; S1461-G1521 VanDerWaalsContact CB-O 3.28Å; S1461-G1521 WeakPolarHBondContact CB-O 3.48Å; S1461-G1521 PolarHBondContact OG-O 3.22Å; G1521-H1523 PolarHBondContact O-N 2.9Å; G1521-H1523 PolarHBondContact O-ND1 3.49Å; G1521-H1523 VanDerWaalsContact O-ND1 3.07Å
1522V96.3Very high91.9Very high0 Ų036 Ų360%018%0.184CC..  trans-79.5124.6179.6-177.70000111.4F1457 N1498 L1517 S1520 L1526 M1527 F1533 F1538 I1541F1457-V1522 HydrophobicContact CE1-CG2 4.13Å; F1457-V1522 HydrophobicContact CZ-CG2 4.09Å; N1498-V1522 WeakPolarHBondContact CB-O 3.35Å; N1498-V1522 PolarHBondContact ND2-O 2.85Å; L1517-V1522 HydrophobicContact CD2-CB 4.24Å; L1517-V1522 HydrophobicContact CD2-CG2 4.17Å; S1520-V1522 VanDerWaalsContact C-N 3.32Å; S1520-V1522 PolarHBondContact OG-N 3.35Å; V1522-L1526 HydrophobicContact CG2-CD2 4.36Å; V1522-M1527 HydrophobicContact CG1-CG 4.39Å; V1522-F1533 HydrophobicContact CG1-CZ 4.02Å; V1522-F1533 HydrophobicContact CG2-CE2 4.44Å; V1522-F1538 HydrophobicContact CG1-CD2 4.36Å; V1522-F1538 HydrophobicContact CG1-CE2 3.79Å; V1522-F1538 HydrophobicContact CG1-CZ 4.35Å; V1522-I1541 HydrophobicContact CG2-CD1 3.86Å; V1522-I1541 HydrophobicContact CG2-CG2 3.83Å
1523H95.9Very high92Very high3 Ų330.9 Ų30.91%0.01416%0.16CC..  trans-149.7170.3176.862.7-76.4000110.3L1420 S1461 G1521 A1525 L1526 M1527L1420-H1523 HydrophobicContact CD2-CB 4.46Å; S1461-H1523 PolarHBondContact O-CE1 3.01Å; S1461-H1523 PolarHBondContact OG-CE1 2.89Å; S1461-H1523 PolarHBondContact OG-ND1 3.35Å; G1521-H1523 PolarHBondContact O-N 2.9Å; G1521-H1523 PolarHBondContact O-ND1 3.49Å; G1521-H1523 VanDerWaalsContact O-ND1 3.07Å; H1523-A1525 PolarHBondContact CD2-N 3.04Å; H1523-A1525 PolarHBondContact O-N 3.45Å; H1523-L1526 PolarHBondContact NE2-N 3.34Å; H1523-L1526 WeakPolarHBondContact O-CB 3.46Å; H1523-L1526 PolarHBondContact O-N 3.34Å; H1523-M1527 WeakPolarHBondContact O-CG 3.44Å; H1523-M1527 PolarHBondContact O-N 2.95Å
1524G94.7Very high91.8Very high0 Ų032.5 Ų32.50%017%0.171CC..Hα-helixtrans-60.9-37.1-171.400000115.5L1493 W1496 M1527 V1528L1493-G1524 CarbonylContact O-C 3.39Å; L1493-G1524 WeakPolarHBondContact O-CA 3.33Å; W1496-G1524 PolarHBondContact O-N 3.31Å; G1524-M1527 PolarHBondContact O-N 3.46Å; G1524-V1528 WeakPolarHBondContact O-CG2 3.34Å; G1524-V1528 PolarHBondContact O-N 2.94Å; G1524-V1528 VanDerWaalsContact O-N 3.08Å
1525A94.6Very high91.8Very high1 Ų133 Ų331%0.00818%0.175CC..Hα-helixtrans-66.9-38.6177.800000112.6C1468 L1494 H1523 V1528 L1529C1468-A1525 HydrophobicContact CB-CB 3.61Å; L1494-A1525 HydrophobicContact CD1-CB 4.06Å; L1494-A1525 WeakPolarHBondContact O-CB 3.45Å; L1494-A1525 PolarHBondContact O-N 3.48Å; H1523-A1525 PolarHBondContact CD2-N 3.04Å; H1523-A1525 PolarHBondContact O-N 3.45Å; A1525-V1528 PolarHBondContact O-N 3.46Å; A1525-L1529 HydrophobicContact CB-CD1 4.12Å; A1525-L1529 WeakPolarHBondContact O-CB 3.5Å; A1525-L1529 WeakPolarHBondContact O-CG 3.45Å; A1525-L1529 PolarHBondContact O-N 3.17Å
1526L95.6Very high91.7Very high0 Ų030.4 Ų30.40%017%0.168CC..Hα-helixtrans-57.1-51170.2177.671.8000110.4F1457 Y1464 V1522 H1523 V1528 L1529 D1530 F1533F1457-L1526 HydrophobicContact CE1-CD2 4.36Å; F1457-L1526 HydrophobicContact CE2-CD2 4.14Å; F1457-L1526 HydrophobicContact CZ-CD2 3.58Å; Y1464-L1526 HydrophobicContact CD2-CD1 3.51Å; Y1464-L1526 HydrophobicContact CE2-CD1 4.01Å; Y1464-L1526 HydrophobicContact CG-CD1 4.46Å; V1522-L1526 HydrophobicContact CG2-CD2 4.36Å; H1523-L1526 PolarHBondContact NE2-N 3.34Å; H1523-L1526 WeakPolarHBondContact O-CB 3.46Å; H1523-L1526 PolarHBondContact O-N 3.34Å; L1526-V1528 VanDerWaalsContact C-N 3.25Å; L1526-V1528 PolarHBondContact O-N 2.93Å; L1526-L1529 PolarHBondContact O-N 3.06Å; L1526-D1530 HydrophobicContact CD1-CB 4Å; L1526-D1530 WeakPolarHBondContact O-CB 3.41Å; L1526-D1530 PolarHBondContact O-N 3.47Å; L1526-F1533 HydrophobicContact CD2-CD2 4.02Å; L1526-F1533 HydrophobicContact CD2-CE2 3.88Å; L1526-F1533 HydrophobicContact CG-CD2 4.06Å; L1526-F1533 HydrophobicContact CG-CE2 4.36Å
1527M93.6Very high91.7Very high0 Ų030.4 Ų30.40%017%0.172CC..Hα-helixtrans-60-33.5-177.1-60.6169.670.500113.5L1493 V1501 V1522 H1523 G1524 F1533 F1538 L1559 L1563L1493-M1527 HydrophobicContact CD1-SD 4.44Å; V1501-M1527 HydrophobicContact CG1-SD 4.24Å; V1501-M1527 HydrophobicContact CG2-SD 3.93Å; V1522-M1527 HydrophobicContact CG1-CG 4.39Å; H1523-M1527 WeakPolarHBondContact O-CG 3.44Å; H1523-M1527 PolarHBondContact O-N 2.95Å; G1524-M1527 PolarHBondContact O-N 3.46Å; M1527-F1533 HydrophobicContact CB-CD1 4.3Å; M1527-F1533 HydrophobicContact CB-CE1 4.28Å; M1527-F1533 HydrophobicContact CG-CD1 4.18Å; M1527-F1533 HydrophobicContact CG-CE1 3.69Å; M1527-F1533 HydrophobicContact CG-CZ 4.25Å; M1527-F1538 HydrophobicContact CE-CE1 4.18Å; M1527-L1559 HydrophobicContact CE-CD1 3.26Å; M1527-L1563 HydrophobicContact CB-CD2 4.37Å; M1527-L1563 WeakPolarHBondContact O-CD2 3.44Å
1528V90.3Very high91.7Very high31 Ų3130.4 Ų30.419%0.18817%0.172CC..Hα-helixtrans-90.2-38.8-176.5173.80000112.6L1493 G1524 A1525 L1526 L1563 Y1566L1493-V1528 HydrophobicContact CB-CG2 3.77Å; L1493-V1528 HydrophobicContact CD2-CG2 3.57Å; L1493-V1528 HydrophobicContact CG-CG2 3.58Å; G1524-V1528 WeakPolarHBondContact O-CG2 3.34Å; G1524-V1528 PolarHBondContact O-N 2.94Å; G1524-V1528 VanDerWaalsContact O-N 3.08Å; A1525-V1528 PolarHBondContact O-N 3.46Å; L1526-V1528 VanDerWaalsContact C-N 3.25Å; L1526-V1528 PolarHBondContact O-N 2.93Å; V1528-L1563 HydrophobicContact CG2-CD2 4.4Å; V1528-Y1566 HydrophobicContact CG1-CD1 3.59Å; V1528-Y1566 HydrophobicContact CG1-CE1 4.24Å; V1528-Y1566 HydrophobicContact CG1-CG 3.83Å; V1528-Y1566 HydrophobicContact CG2-CD1 4.4Å; V1528-Y1566 HydrophobicContact CG2-CD2 4.27Å; V1528-Y1566 HydrophobicContact CG2-CE2 4.5Å; V1528-Y1566 HydrophobicContact CG2-CG 4.24Å
1529L89.4Confident91.8Very high20 Ų2025.5 Ų25.511%0.10515%0.147CC..Hα-helixtrans-96.2-21.1-169.1-58.8178.4000113.6Y1464 M1467 L1494 A1525 L1526 P1531Y1464-L1529 HydrophobicContact CD1-CB 3.45Å; Y1464-L1529 VanDerWaalsContact CD1-CB 3.45Å; Y1464-L1529 HydrophobicContact CD1-CD1 4.18Å; Y1464-L1529 HydrophobicContact CD1-CG 4.49Å; Y1464-L1529 HydrophobicContact CE1-CB 3.81Å; Y1464-L1529 WeakPolarHBondContact CE1-O 3.49Å; Y1464-L1529 HydrophobicContact CG-CB 4.26Å; M1467-L1529 HydrophobicContact CB-CD1 3.98Å; L1494-L1529 HydrophobicContact CD1-CD1 3.88Å; L1494-L1529 HydrophobicContact CD1-CD2 3.98Å; L1494-L1529 HydrophobicContact CD1-CG 3.87Å; A1525-L1529 HydrophobicContact CB-CD1 4.12Å; A1525-L1529 WeakPolarHBondContact O-CB 3.5Å; A1525-L1529 WeakPolarHBondContact O-CG 3.45Å; A1525-L1529 PolarHBondContact O-N 3.17Å; L1526-L1529 PolarHBondContact O-N 3.06Å; L1529-P1531 WeakPolarHBondContact O-CD 3.42Å
1530D89.9Confident91.7Very high8 Ų828 Ų284%0.04316%0.16CC..  trans-84.9111.5175.2-168.8-14.6000109.9L1460 Y1464 L1526 D1532 F1533L1460-D1530 WeakPolarHBondContact CD2-OD2 3.33Å; Y1464-D1530 HydrophobicContact CD2-CB 4.15Å; Y1464-D1530 HydrophobicContact CE2-CB 3.51Å; L1526-D1530 HydrophobicContact CD1-CB 4Å; L1526-D1530 WeakPolarHBondContact O-CB 3.41Å; L1526-D1530 PolarHBondContact O-N 3.47Å; D1530-D1532 PolarHBondContact O-N 3.01Å; D1530-D1532 PolarHBondContact OD1-N 3.33Å; D1530-F1533 HydrophobicContact CB-CB 3.74Å; D1530-F1533 PolarHBondContact O-N 3.43Å; D1530-F1533 PolarHBondContact OD1-N 2.96Å
1531P81.9Confident91.7Very high62 Ų6229.3 Ų29.340%0.40317%0.165SC..THydrogen-bonded Turntrans-64.7-32.2178.927.8-33.5000111.9L1529 F1533 R1567L1529-P1531 WeakPolarHBondContact O-CD 3.42Å; P1531-F1533 VanDerWaalsContact C-N 3.33Å; P1531-R1567 PolarHBondContact O-NH1 2.99Å; P1531-R1567 PolarHBondContact O-NH2 3.34Å
1532D82.9Confident91.6Very high130 Ų13029.3 Ų29.370%0.69517%0.165SC*.THydrogen-bonded Turntrans-84.5-10.4-173.7-57.2-32000111.8D1530 D1534D1530-D1532 PolarHBondContact O-N 3.01Å; D1530-D1532 PolarHBondContact OD1-N 3.33Å; D1532-D1534 PolarHBondContact O-N 3.43Å; D1532-D1534 VanDerWaalsContact O-N 3.1Å
1533F90.8Very high91.4Very high3 Ų336 Ų361%0.01320%0.197CC..  trans-74.5101.1175.9-168.2-89.2000111.1F1457 V1522 L1526 M1527 D1530 P1531 F1538 I1541 R1567F1457-F1533 HydrophobicContact CZ-CE2 4.32Å; V1522-F1533 HydrophobicContact CG1-CZ 4.02Å; V1522-F1533 HydrophobicContact CG2-CE2 4.44Å; L1526-F1533 HydrophobicContact CD2-CD2 4.02Å; L1526-F1533 HydrophobicContact CD2-CE2 3.88Å; L1526-F1533 HydrophobicContact CG-CD2 4.06Å; L1526-F1533 HydrophobicContact CG-CE2 4.36Å; M1527-F1533 HydrophobicContact CB-CD1 4.3Å; M1527-F1533 HydrophobicContact CB-CE1 4.28Å; M1527-F1533 HydrophobicContact CG-CD1 4.18Å; M1527-F1533 HydrophobicContact CG-CE1 3.69Å; M1527-F1533 HydrophobicContact CG-CZ 4.25Å; D1530-F1533 HydrophobicContact CB-CB 3.74Å; D1530-F1533 PolarHBondContact O-N 3.43Å; D1530-F1533 PolarHBondContact OD1-N 2.96Å; P1531-F1533 VanDerWaalsContact C-N 3.33Å; F1533-F1538 HydrophobicContact CE1-CB 3.99Å; F1533-F1538 HydrophobicContact CE1-CD1 4.33Å; F1533-F1538 HydrophobicContact CE1-CD2 4.46Å; F1533-F1538 HydrophobicContact CE1-CG 4.05Å; F1533-F1538 HydrophobicContact CZ-CB 3.79Å; F1533-F1538 HydrophobicContact CZ-CD1 4.45Å; F1533-F1538 AromaticContact CZ-CD2 3.79Å; F1533-F1538 HydrophobicContact CZ-CD2 3.79Å; F1533-F1538 HydrophobicContact CZ-CE2 4.45Å; F1533-F1538 AromaticContact CZ-CG 3.79Å; F1533-F1538 HydrophobicContact CZ-CG 3.79Å; F1533-I1541 HydrophobicContact CE2-CD1 3.94Å; F1533-R1567 PolarHBondContact O-NH2 3.47Å
1534D88.5Confident91.2Very high64 Ų6436 Ų3634%0.34220%0.197SC..  trans-112.8176.9-179.276.7-18.8000113.1D1532 N1536 S1537 F1538D1532-D1534 PolarHBondContact O-N 3.43Å; D1532-D1534 VanDerWaalsContact O-N 3.1Å; D1534-N1536 VanDerWaalsContact C-N 3.26Å; D1534-N1536 PolarHBondContact O-N 2.97Å; D1534-N1536 PolarHBondContact OD1-N 3.35Å; D1534-N1536 WeakPolarHBondContact OD2-CB 3.43Å; D1534-N1536 PolarHBondContact OD2-ND2 2.71Å; D1534-S1537 PolarHBondContact O-N 3.18Å; D1534-S1537 WeakPolarHBondContact OD1-CB 3.32Å; D1534-S1537 PolarHBondContact OD1-N 3.4Å; D1534-S1537 PolarHBondContact OD1-OG 3.25Å; D1534-F1538 WeakPolarHBondContact O-CB 3.44Å; D1534-F1538 PolarHBondContact O-N 3.19Å; D1534-F1538 VanDerWaalsContact O-N 3.07Å
1535A90.9Very high90.9Very high10 Ų1038.9 Ų38.98%0.08322%0.215CC..Hα-helixtrans-63.8-32.2179.400000112.6F1538 A1539 E1556 L1559A1535-F1538 PolarHBondContact O-N 3.5Å; A1535-A1539 WeakPolarHBondContact O-CB 3.39Å; A1535-A1539 PolarHBondContact O-N 3.45Å; A1535-E1556 HydrophobicContact CB-CB 3.71Å; A1535-E1556 HydrophobicContact CB-CG 3.78Å; A1535-L1559 HydrophobicContact CB-CD2 3.99Å
1536N90.5Very high90.5Very high89 Ų8944.6 Ų44.648%0.47625%0.246SC..Hα-helixtrans-69.2-47.8179.3-69-45.8000111.6D1534 F1538 A1539 L1540D1534-N1536 VanDerWaalsContact C-N 3.26Å; D1534-N1536 PolarHBondContact O-N 2.97Å; D1534-N1536 PolarHBondContact OD1-N 3.35Å; D1534-N1536 WeakPolarHBondContact OD2-CB 3.43Å; D1534-N1536 PolarHBondContact OD2-ND2 2.71Å; N1536-F1538 VanDerWaalsContact C-N 3.26Å; N1536-F1538 PolarHBondContact O-N 3.43Å; N1536-A1539 PolarHBondContact O-N 3.36Å; N1536-L1540 WeakPolarHBondContact O-CG 3.5Å; N1536-L1540 PolarHBondContact O-N 2.9Å
1537S91.4Very high90.2Very high46 Ų4649.6 Ų49.632%0.32228%0.281SS..Hα-helixtrans-58.1-42.3174.5-58.30000110.6D1534 L1540 I1541D1534-S1537 PolarHBondContact O-N 3.18Å; D1534-S1537 WeakPolarHBondContact OD1-CB 3.32Å; D1534-S1537 PolarHBondContact OD1-N 3.4Å; D1534-S1537 PolarHBondContact OD1-OG 3.25Å; S1537-L1540 PolarHBondContact O-N 2.92Å; S1537-I1541 WeakPolarHBondContact O-CD1 3.5Å; S1537-I1541 VanDerWaalsContact O-CG1 3.31Å; S1537-I1541 WeakPolarHBondContact O-CG1 3.29Å; S1537-I1541 PolarHBondContact O-N 2.93Å; S1537-I1541 VanDerWaalsContact O-N 3.07Å
1538F95.2Very high90Very high0 Ų051.6 Ų51.60%029%0.292CS..Hα-helixtrans-67.4-39.3178.1-165.7-161.7000113V1501 W1504 L1505 L1517 V1522 M1527 F1533 D1534 A1535 N1536 L1540 I1541 L1542 L1555 L1559V1501-F1538 HydrophobicContact CG1-CZ 3.92Å; W1504-F1538 HydrophobicContact CH2-CE1 4.46Å; W1504-F1538 AromaticContact CZ3-CE1 3.88Å; W1504-F1538 HydrophobicContact CZ3-CE1 3.88Å; W1504-F1538 HydrophobicContact CZ3-CZ 4.38Å; L1505-F1538 HydrophobicContact CD1-CZ 4.08Å; L1505-F1538 HydrophobicContact CD2-CE1 4.31Å; L1505-F1538 HydrophobicContact CD2-CZ 4.22Å; L1505-F1538 HydrophobicContact CG-CZ 4.45Å; L1517-F1538 HydrophobicContact CD1-CE2 3.79Å; L1517-F1538 HydrophobicContact CD1-CZ 4.04Å; L1517-F1538 HydrophobicContact CD2-CE2 3.83Å; L1517-F1538 HydrophobicContact CG-CE2 4.42Å; V1522-F1538 HydrophobicContact CG1-CD2 4.36Å; V1522-F1538 HydrophobicContact CG1-CE2 3.79Å; V1522-F1538 HydrophobicContact CG1-CZ 4.35Å; M1527-F1538 HydrophobicContact CE-CE1 4.18Å; F1533-F1538 HydrophobicContact CE1-CB 3.99Å; F1533-F1538 HydrophobicContact CE1-CD1 4.33Å; F1533-F1538 HydrophobicContact CE1-CD2 4.46Å; F1533-F1538 HydrophobicContact CE1-CG 4.05Å; F1533-F1538 HydrophobicContact CZ-CB 3.79Å; F1533-F1538 HydrophobicContact CZ-CD1 4.45Å; F1533-F1538 AromaticContact CZ-CD2 3.79Å; F1533-F1538 HydrophobicContact CZ-CD2 3.79Å; F1533-F1538 HydrophobicContact CZ-CE2 4.45Å; F1533-F1538 AromaticContact CZ-CG 3.79Å; F1533-F1538 HydrophobicContact CZ-CG 3.79Å; D1534-F1538 WeakPolarHBondContact O-CB 3.44Å; D1534-F1538 PolarHBondContact O-N 3.19Å; D1534-F1538 VanDerWaalsContact O-N 3.07Å; A1535-F1538 PolarHBondContact O-N 3.5Å; N1536-F1538 VanDerWaalsContact C-N 3.26Å; N1536-F1538 PolarHBondContact O-N 3.43Å; F1538-L1540 VanDerWaalsContact C-N 3.32Å; F1538-L1540 PolarHBondContact O-N 3.24Å; F1538-I1541 PolarHBondContact O-N 3.5Å; F1538-L1542 HydrophobicContact CD2-CD1 4.08Å; F1538-L1542 HydrophobicContact CD2-CG 4.2Å; F1538-L1542 HydrophobicContact CE2-CD1 4.01Å; F1538-L1542 HydrophobicContact CE2-CG 4.13Å; F1538-L1542 HydrophobicContact CG-CD1 4.37Å; F1538-L1542 HydrophobicContact CZ-CD1 4.23Å; F1538-L1542 WeakPolarHBondContact O-CB 3.43Å; F1538-L1542 WeakPolarHBondContact O-CG 3.35Å; F1538-L1542 PolarHBondContact O-N 3.37Å; F1538-L1555 HydrophobicContact CB-CD2 4.38Å; F1538-L1555 HydrophobicContact CD1-CD1 3.79Å; F1538-L1555 HydrophobicContact CD1-CD2 4.14Å; F1538-L1555 HydrophobicContact CD1-CG 4.25Å; F1538-L1555 HydrophobicContact CE1-CD1 3.86Å; F1538-L1555 HydrophobicContact CG-CD2 4.34Å; F1538-L1559 HydrophobicContact CD1-CD1 4.27Å; F1538-L1559 HydrophobicContact CD1-CD2 4.1Å; F1538-L1559 HydrophobicContact CE1-CD1 4.4Å
1539A93.5Very high90Very high2 Ų255 Ų552%0.01731%0.312CS..Hα-helixtrans-64.1-36.417500000112.5A1535 N1536 L1542 Q1543 I1544 R1552 L1555A1535-A1539 WeakPolarHBondContact O-CB 3.39Å; A1535-A1539 PolarHBondContact O-N 3.45Å; N1536-A1539 PolarHBondContact O-N 3.36Å; A1539-L1542 PolarHBondContact O-N 3.01Å; A1539-Q1543 PolarHBondContact O-N 3.25Å; A1539-Q1543 VanDerWaalsContact O-N 3.16Å; A1539-I1544 PolarHBondContact O-N 2.96Å; A1539-R1552 HydrophobicContact CB-CG 4.16Å; A1539-L1555 HydrophobicContact CB-CD2 3.92Å
1540L92.2Very high90Very high107 Ų10761.9 Ų61.956%0.5634%0.344SS*.Hα-helixtrans-65.1-44.4174-70.6171.4000111.6N1536 S1537 F1538 L1542 Q1543N1536-L1540 WeakPolarHBondContact O-CG 3.5Å; N1536-L1540 PolarHBondContact O-N 2.9Å; S1537-L1540 PolarHBondContact O-N 2.92Å; F1538-L1540 VanDerWaalsContact C-N 3.32Å; F1538-L1540 PolarHBondContact O-N 3.24Å; L1540-L1542 VanDerWaalsContact C-N 3.31Å; L1540-L1542 PolarHBondContact O-N 2.7Å; L1540-Q1543 WeakPolarHBondContact O-CA 2.92Å; L1540-Q1543 PolarHBondContact O-N 3.07Å
1541I92.6Very high89.9Confident40 Ų4063.1 Ų63.121%0.20535%0.35CS..Hα-helixtrans-63.7-39.2177.2-64.1161.3000111.2F1457 L1517 V1522 F1533 S1537 F1538 Q1543F1457-I1541 HydrophobicContact CE1-CD1 3.89Å; F1457-I1541 HydrophobicContact CE2-CD1 3.98Å; F1457-I1541 HydrophobicContact CZ-CD1 3.37Å; F1457-I1541 HydrophobicContact CZ-CG1 4.46Å; L1517-I1541 HydrophobicContact CD2-CG2 3.8Å; V1522-I1541 HydrophobicContact CG2-CD1 3.86Å; V1522-I1541 HydrophobicContact CG2-CG2 3.83Å; F1533-I1541 HydrophobicContact CE2-CD1 3.94Å; S1537-I1541 WeakPolarHBondContact O-CD1 3.5Å; S1537-I1541 VanDerWaalsContact O-CG1 3.31Å; S1537-I1541 WeakPolarHBondContact O-CG1 3.29Å; S1537-I1541 PolarHBondContact O-N 2.93Å; S1537-I1541 VanDerWaalsContact O-N 3.07Å; F1538-I1541 PolarHBondContact O-N 3.5Å; I1541-Q1543 PolarHBondContact O-N 2.92Å
1542L93.5Very high90.4Very high0 Ų061.8 Ų61.80%034%0.337CS..THydrogen-bonded Turntrans-70.2-9174.3-74.9169.3000113.7L1505 Y1513 N1516 L1517 F1538 A1539 L1540 I1544 L1555L1505-L1542 HydrophobicContact CD1-CD1 4.05Å; L1505-L1542 HydrophobicContact CD1-CD2 3.55Å; L1505-L1542 HydrophobicContact CD1-CG 4.4Å; L1505-L1542 HydrophobicContact CD2-CD1 4.09Å; Y1513-L1542 WeakPolarHBondContact O-CD2 3.43Å; N1516-L1542 PolarHBondContact ND2-O 3.04Å; L1517-L1542 HydrophobicContact CD1-CD2 4.18Å; L1517-L1542 HydrophobicContact CD2-CD2 3.56Å; L1517-L1542 HydrophobicContact CD2-CG 4.03Å; L1517-L1542 HydrophobicContact CG-CD2 3.57Å; F1538-L1542 HydrophobicContact CD2-CD1 4.08Å; F1538-L1542 HydrophobicContact CD2-CG 4.2Å; F1538-L1542 HydrophobicContact CE2-CD1 4.01Å; F1538-L1542 HydrophobicContact CE2-CG 4.13Å; F1538-L1542 HydrophobicContact CG-CD1 4.37Å; F1538-L1542 HydrophobicContact CZ-CD1 4.23Å; F1538-L1542 WeakPolarHBondContact O-CB 3.43Å; F1538-L1542 WeakPolarHBondContact O-CG 3.35Å; F1538-L1542 PolarHBondContact O-N 3.37Å; A1539-L1542 PolarHBondContact O-N 3.01Å; L1540-L1542 VanDerWaalsContact C-N 3.31Å; L1540-L1542 PolarHBondContact O-N 2.7Å; L1542-I1544 VanDerWaalsContact C-N 3.26Å; L1542-I1544 HydrophobicContact CB-CD1 4.08Å; L1542-I1544 HydrophobicContact CB-CG1 3.84Å; L1542-I1544 HydrophobicContact CD1-CD1 4.14Å; L1542-I1544 PolarHBondContact O-N 3.4Å; L1542-L1555 HydrophobicContact CD1-CD1 4.12Å; L1542-L1555 HydrophobicContact CD1-CD2 3.81Å
1543Q92.3Very high90.8Very high140 Ų14060.8 Ų60.865%0.65433%0.328SS*.THydrogen-bonded Turntrans57.437.7-175.5-54.217528.700112.6A1539 L1540 I1541 P1545A1539-Q1543 PolarHBondContact O-N 3.25Å; A1539-Q1543 VanDerWaalsContact O-N 3.16Å; L1540-Q1543 WeakPolarHBondContact O-CA 2.92Å; L1540-Q1543 PolarHBondContact O-N 3.07Å; I1541-Q1543 PolarHBondContact O-N 2.92Å; Q1543-P1545 WeakPolarHBondContact O-CD 3.49Å
1544I90.8Very high90.8Very high4 Ų465 Ų652%0.02135%0.346CS..  trans-74.9124.1173.4-57.4175.5000107.6L1510 Y1513 A1539 L1542 D1548 M1551 R1552 L1555L1510-I1544 HydrophobicContact CD1-CD1 4.44Å; Y1513-I1544 HydrophobicContact CD1-CG1 3.9Å; Y1513-I1544 HydrophobicContact CD2-CD1 4.37Å; Y1513-I1544 HydrophobicContact CD2-CG1 4.01Å; Y1513-I1544 HydrophobicContact CE1-CG1 4.17Å; Y1513-I1544 HydrophobicContact CE2-CG1 4.26Å; Y1513-I1544 HydrophobicContact CG-CD1 4.49Å; Y1513-I1544 HydrophobicContact CG-CG1 3.82Å; A1539-I1544 PolarHBondContact O-N 2.96Å; L1542-I1544 VanDerWaalsContact C-N 3.26Å; L1542-I1544 HydrophobicContact CB-CD1 4.08Å; L1542-I1544 HydrophobicContact CB-CG1 3.84Å; L1542-I1544 HydrophobicContact CD1-CD1 4.14Å; L1542-I1544 PolarHBondContact O-N 3.4Å; I1544-D1548 HydrophobicContact CG2-CB 4.23Å; I1544-M1551 HydrophobicContact CG2-CB 4.15Å; I1544-R1552 HydrophobicContact CB-CG 4.42Å; I1544-R1552 HydrophobicContact CG2-CG 3.82Å; I1544-R1552 PolarHBondContact O-NE 2.92Å; I1544-R1552 PolarHBondContact O-NH2 3.03Å; I1544-L1555 HydrophobicContact CD1-CD2 4.1Å
1545P87.7Confident91.1Very high60 Ų6062 Ų6239%0.3933%0.33SS..  trans-55.4145.1178.3-26.235.3000112.4Q1543 S1547 D1548 R1552Q1543-P1545 WeakPolarHBondContact O-CD 3.49Å; P1545-S1547 WeakPolarHBondContact CB-OG 3.44Å; P1545-S1547 PolarHBondContact O-N 2.93Å; P1545-D1548 PolarHBondContact O-N 3.23Å; P1545-D1548 VanDerWaalsContact O-N 3.12Å; P1545-R1552 PolarHBondContact O-NE 3.23Å
1546N87.6Confident91.3Very high120 Ų12065.3 Ų65.364%0.64234%0.344SS*.THydrogen-bonded Turntrans-63.7-23.6175.5-72.4-20.2000112.5D1548 R1552N1546-D1548 VanDerWaalsContact C-N 3.31Å; N1546-R1552 PolarHBondContact OD1-NH2 2.95Å
1547S88.1Confident91.3Very high106 Ų10664 Ų6474%0.74134%0.341SS*.THydrogen-bonded Turntrans-71-23.3175.354.50000113.5P1545 V1549P1545-S1547 WeakPolarHBondContact CB-OG 3.44Å; P1545-S1547 PolarHBondContact O-N 2.93Å; S1547-V1549 VanDerWaalsContact C-N 3.28Å; S1547-V1549 PolarHBondContact O-N 2.95Å; S1547-V1549 VanDerWaalsContact O-N 3.08Å
1548D89.7Confident91.3Very high42 Ų4264.3 Ų64.323%0.22534%0.337CS..  trans-88.468.1-179.4-165-13000111Y1513 I1544 P1545 N1546 Q1550 M1551 R1552Y1513-D1548 PolarHBondContact OH-OD2 3.16Å; I1544-D1548 HydrophobicContact CG2-CB 4.23Å; P1545-D1548 PolarHBondContact O-N 3.23Å; P1545-D1548 VanDerWaalsContact O-N 3.12Å; N1546-D1548 VanDerWaalsContact C-N 3.31Å; D1548-Q1550 PolarHBondContact O-N 3.17Å; D1548-M1551 VanDerWaalsContact CG-CG 3.45Å; D1548-M1551 PolarHBondContact O-N 3.37Å; D1548-M1551 WeakPolarHBondContact OD1-CB 3.41Å; D1548-M1551 VanDerWaalsContact OD1-CG 3.3Å; D1548-M1551 WeakPolarHBondContact OD1-CG 3.42Å; D1548-M1551 PolarHBondContact OD1-N 3.15Å; D1548-M1551 WeakPolarHBondContact OD2-CG 3.44Å; D1548-R1552 PolarHBondContact O-N 3.21Å
1549V90Very high91.1Very high103 Ų10364.3 Ų64.362%0.62434%0.337SS*.Hα-helixtrans-61-34-177.6-176.80000111.2S1547 R1552 H1553S1547-V1549 VanDerWaalsContact C-N 3.28Å; S1547-V1549 PolarHBondContact O-N 2.95Å; S1547-V1549 VanDerWaalsContact O-N 3.08Å; V1549-R1552 PolarHBondContact O-N 3.35Å; V1549-H1553 VanDerWaalsContact O-CB 3.28Å; V1549-H1553 WeakPolarHBondContact O-CB 3.48Å; V1549-H1553 PolarHBondContact O-N 3.41Å
1550Q89Confident90.9Very high163 Ų16368.1 Ų68.176%0.76236%0.357SS*.Hα-helixtrans-64.7-47-179.1-174178.9-2.900111.5D1548 K1554D1548-Q1550 PolarHBondContact O-N 3.17Å; Q1550-K1554 WeakPolarHBondContact O-CB 3.34Å; Q1550-K1554 PolarHBondContact O-N 3.43Å
1551M89.5Confident90.8Very high35 Ų3569.3 Ų69.317%0.17235%0.354CS..Hα-helixtrans-68.3-38.6178.2-67.7-60.7-12800112.1L1510 E1512 Y1513 I1544 D1548 K1554 L1555L1510-M1551 HydrophobicContact CD2-CB 3.98Å; L1510-M1551 HydrophobicContact CD2-CE 3.71Å; L1510-M1551 HydrophobicContact CD2-CG 4.15Å; L1510-M1551 HydrophobicContact CD2-SD 3.49Å; L1510-M1551 WeakPolarHBondContact CD2-SD 3.49Å; E1512-M1551 WeakPolarHBondContact OE1-CE 3.45Å; Y1513-M1551 HydrophobicContact CE2-CE 4.2Å; Y1513-M1551 HydrophobicContact CE2-CG 4.45Å; I1544-M1551 HydrophobicContact CG2-CB 4.15Å; D1548-M1551 VanDerWaalsContact CG-CG 3.45Å; D1548-M1551 PolarHBondContact O-N 3.37Å; D1548-M1551 WeakPolarHBondContact OD1-CB 3.41Å; D1548-M1551 VanDerWaalsContact OD1-CG 3.3Å; D1548-M1551 WeakPolarHBondContact OD1-CG 3.42Å; D1548-M1551 PolarHBondContact OD1-N 3.15Å; D1548-M1551 WeakPolarHBondContact OD2-CG 3.44Å; M1551-K1554 PolarHBondContact O-N 3.01Å; M1551-L1555 PolarHBondContact O-N 3.37Å
1552R92.6Very high90.6Very high34 Ų3468 Ų6813%0.12835%0.347CS..Hα-helixtrans-62.9-45.5175.4-73.8-179166.5-103-3.2112.3A1539 I1544 P1545 N1546 D1548 V1549 K1554 L1555 E1556A1539-R1552 HydrophobicContact CB-CG 4.16Å; I1544-R1552 HydrophobicContact CB-CG 4.42Å; I1544-R1552 HydrophobicContact CG2-CG 3.82Å; I1544-R1552 PolarHBondContact O-NE 2.92Å; I1544-R1552 PolarHBondContact O-NH2 3.03Å; P1545-R1552 PolarHBondContact O-NE 3.23Å; N1546-R1552 PolarHBondContact OD1-NH2 2.95Å; D1548-R1552 PolarHBondContact O-N 3.21Å; V1549-R1552 PolarHBondContact O-N 3.35Å; R1552-K1554 VanDerWaalsContact C-N 3.33Å; R1552-K1554 PolarHBondContact O-N 2.95Å; R1552-L1555 WeakPolarHBondContact O-CB 3.32Å; R1552-L1555 PolarHBondContact O-N 3.45Å; R1552-E1556 WeakPolarHBondContact O-CB 3.34Å; R1552-E1556 PolarHBondContact O-N 3.29Å
1553H91.1Very high90.3Very high109 Ų10968.1 Ų68.151%0.50535%0.348SS..Hα-helixtrans-64-39.2177.2-175.261000111.9V1549 E1556 C1557V1549-H1553 VanDerWaalsContact O-CB 3.28Å; V1549-H1553 WeakPolarHBondContact O-CB 3.48Å; V1549-H1553 PolarHBondContact O-N 3.41Å; H1553-E1556 IonicContact ND1-OE2 2.99Å; H1553-E1556 PolarHBondContact O-N 3.38Å; H1553-C1557 VanDerWaalsContact CE1-SG 3.57Å; H1553-C1557 WeakPolarHBondContact O-CB 3.44Å; H1553-C1557 PolarHBondContact O-N 3.23Å; H1553-C1557 PolarHBondContact O-SG 3.47Å
1554K91Very high89.8Confident92 Ų9267.5 Ų67.540%0.435%0.345SS..Hα-helixtrans-62.7-44.2174.9-167.9-180-165.4-175.60112.1I1508 Q1550 M1551 R1552 E1558I1508-K1554 WeakPolarHBondContact O-CE 3.37Å; I1508-K1554 PolarHBondContact O-NZ 3.5Å; Q1550-K1554 WeakPolarHBondContact O-CB 3.34Å; Q1550-K1554 PolarHBondContact O-N 3.43Å; M1551-K1554 PolarHBondContact O-N 3.01Å; R1552-K1554 VanDerWaalsContact C-N 3.33Å; R1552-K1554 PolarHBondContact O-N 2.95Å; K1554-E1558 PolarHBondContact O-N 3.39Å; K1554-E1558 VanDerWaalsContact O-N 3.13Å
1555L94.4Very high89.2Confident0 Ų070.3 Ų70.30%036%0.364CS..Hα-helixtrans-60-47.5174.9179.266.3000111W1504 L1505 I1508 L1510 F1538 A1539 L1542 I1544 M1551 R1552 E1558 L1559W1504-L1555 HydrophobicContact CH2-CD1 4.35Å; L1505-L1555 HydrophobicContact CD2-CD1 3.81Å; I1508-L1555 HydrophobicContact CD1-CD1 4.46Å; L1510-L1555 HydrophobicContact CD1-CB 3.98Å; L1510-L1555 HydrophobicContact CD1-CD1 3.86Å; L1510-L1555 HydrophobicContact CD1-CG 4.44Å; F1538-L1555 HydrophobicContact CB-CD2 4.38Å; F1538-L1555 HydrophobicContact CD1-CD1 3.79Å; F1538-L1555 HydrophobicContact CD1-CD2 4.14Å; F1538-L1555 HydrophobicContact CD1-CG 4.25Å; F1538-L1555 HydrophobicContact CE1-CD1 3.86Å; F1538-L1555 HydrophobicContact CG-CD2 4.34Å; A1539-L1555 HydrophobicContact CB-CD2 3.92Å; L1542-L1555 HydrophobicContact CD1-CD1 4.12Å; L1542-L1555 HydrophobicContact CD1-CD2 3.81Å; I1544-L1555 HydrophobicContact CD1-CD2 4.1Å; M1551-L1555 PolarHBondContact O-N 3.37Å; R1552-L1555 WeakPolarHBondContact O-CB 3.32Å; R1552-L1555 PolarHBondContact O-N 3.45Å; L1555-E1558 PolarHBondContact O-N 2.98Å; L1555-L1559 WeakPolarHBondContact O-CB 3.39Å; L1555-L1559 PolarHBondContact O-N 3.43Å
1556E93.7Very high88.7Confident80 Ų8070.7 Ų70.737%0.37436%0.358SS..Hα-helixtrans-59.5-47.8179.3-178.9178.4-159.400112A1535 R1552 H1553 E1558 L1559 N1560A1535-E1556 HydrophobicContact CB-CB 3.71Å; A1535-E1556 HydrophobicContact CB-CG 3.78Å; R1552-E1556 WeakPolarHBondContact O-CB 3.34Å; R1552-E1556 PolarHBondContact O-N 3.29Å; H1553-E1556 IonicContact ND1-OE2 2.99Å; H1553-E1556 PolarHBondContact O-N 3.38Å; E1556-E1558 PolarHBondContact O-N 3.14Å; E1556-L1559 PolarHBondContact O-N 2.95Å; E1556-N1560 WeakPolarHBondContact CG-ND2 3.44Å; E1556-N1560 VanDerWaalsContact O-CB 3.26Å; E1556-N1560 WeakPolarHBondContact O-CB 3.36Å; E1556-N1560 VanDerWaalsContact O-CG 3.31Å; E1556-N1560 PolarHBondContact O-N 3.45Å; E1556-N1560 PolarHBondContact O-ND2 3.45Å
1557C90.9Very high88Confident62 Ų6270.2 Ų70.242%0.41935%0.347SS..Hα-helixtrans-59.3-49.5178.4-70.30000112.1H1553 R1561H1553-C1557 VanDerWaalsContact CE1-SG 3.57Å; H1553-C1557 WeakPolarHBondContact O-CB 3.44Å; H1553-C1557 PolarHBondContact O-N 3.23Å; H1553-C1557 PolarHBondContact O-SG 3.47Å; C1557-R1561 WeakPolarHBondContact O-CB 3.31Å; C1557-R1561 PolarHBondContact O-N 3.27Å
1558E91.2Very high86.2Confident52 Ų5267.7 Ų67.724%0.24333%0.329CS..Hα-helixtrans-72.8-35.3-178-72.8-64.315500112.7W1504 I1508 K1554 L1555 E1556 R1561 L1562W1504-E1558 HydrophobicContact CZ2-CB 3.8Å; I1508-E1558 HydrophobicContact CB-CG 4.35Å; I1508-E1558 HydrophobicContact CD1-CB 4.25Å; I1508-E1558 HydrophobicContact CG2-CB 4.26Å; I1508-E1558 HydrophobicContact CG2-CG 3.97Å; K1554-E1558 PolarHBondContact O-N 3.39Å; K1554-E1558 VanDerWaalsContact O-N 3.13Å; L1555-E1558 PolarHBondContact O-N 2.98Å; E1556-E1558 PolarHBondContact O-N 3.14Å; E1558-R1561 PolarHBondContact O-N 2.95Å; E1558-R1561 IonicContact OE1-NE 3.91Å; E1558-R1561 IonicContact OE2-CZ 2.8Å; E1558-R1561 IonicContact OE2-NE 3.65Å; E1558-R1561 PolarHBondContact OE2-NE 3.38Å; E1558-R1561 IonicContact OE2-NH2 2.81Å; E1558-R1561 PolarHBondContact OE2-NH2 3.33Å; E1558-L1562 PolarHBondContact O-N 2.96Å; E1558-L1562 VanDerWaalsContact O-N 3.09Å
1559L92.4Very high83.9Confident0 Ų070.1 Ų70.10%035%0.346CS..Hα-helixtrans-65.1-47.6174.6-179.666.8000111M1527 A1535 F1538 L1555 E1556 R1561 L1562 L1563M1527-L1559 HydrophobicContact CE-CD1 3.26Å; A1535-L1559 HydrophobicContact CB-CD2 3.99Å; F1538-L1559 HydrophobicContact CD1-CD1 4.27Å; F1538-L1559 HydrophobicContact CD1-CD2 4.1Å; F1538-L1559 HydrophobicContact CE1-CD1 4.4Å; L1555-L1559 WeakPolarHBondContact O-CB 3.39Å; L1555-L1559 PolarHBondContact O-N 3.43Å; E1556-L1559 PolarHBondContact O-N 2.95Å; L1559-R1561 VanDerWaalsContact C-N 3.26Å; L1559-R1561 PolarHBondContact O-N 3.1Å; L1559-L1562 WeakPolarHBondContact O-CB 3.45Å; L1559-L1562 PolarHBondContact O-N 2.91Å; L1559-L1562 VanDerWaalsContact O-N 3.08Å; L1559-L1563 HydrophobicContact CD1-CD1 3.92Å; L1559-L1563 HydrophobicContact CD1-CG 4.14Å; L1559-L1563 HydrophobicContact CD2-CD1 4.32Å; L1559-L1563 HydrophobicContact CG-CD1 3.83Å; L1559-L1563 HydrophobicContact CG-CG 4.33Å; L1559-L1563 WeakPolarHBondContact O-CG 3.28Å; L1559-L1563 PolarHBondContact O-N 3.36Å
1560N89.5Confident81.2Confident82 Ų8271.2 Ų71.244%0.43935%0.348SS..Hα-helixtrans-61.7-37.6177.7-77.1-33000111.2E1556 L1562 L1563 H1564E1556-N1560 WeakPolarHBondContact CG-ND2 3.44Å; E1556-N1560 VanDerWaalsContact O-CB 3.26Å; E1556-N1560 WeakPolarHBondContact O-CB 3.36Å; E1556-N1560 VanDerWaalsContact O-CG 3.31Å; E1556-N1560 PolarHBondContact O-N 3.45Å; E1556-N1560 PolarHBondContact O-ND2 3.45Å; N1560-L1562 VanDerWaalsContact C-N 3.32Å; N1560-L1562 PolarHBondContact O-N 3.17Å; N1560-L1563 PolarHBondContact O-N 3.27Å; N1560-H1564 WeakPolarHBondContact O-CB 3.48Å; N1560-H1564 PolarHBondContact O-N 3.42Å
1561R89.4Confident78.4Confident132 Ų13271.8 Ų71.850%0.49835%0.35SS..Hα-helixtrans-60.5-39.3173.3-166.4178.27387.6-2.8112.7C1557 E1558 L1559C1557-R1561 WeakPolarHBondContact O-CB 3.31Å; C1557-R1561 PolarHBondContact O-N 3.27Å; E1558-R1561 PolarHBondContact O-N 2.95Å; E1558-R1561 IonicContact OE1-NE 3.91Å; E1558-R1561 IonicContact OE2-CZ 2.8Å; E1558-R1561 IonicContact OE2-NE 3.65Å; E1558-R1561 PolarHBondContact OE2-NE 3.38Å; E1558-R1561 IonicContact OE2-NH2 2.81Å; E1558-R1561 PolarHBondContact OE2-NH2 3.33Å; L1559-R1561 VanDerWaalsContact C-N 3.26Å; L1559-R1561 PolarHBondContact O-N 3.1Å
1562L88.4Confident75.5Confident11 Ų1177.5 Ų77.56%0.05838%0.382CS..Hα-helixtrans-72.1-37.4176-78.1-175.8000113.6L1490 L1493 W1496 W1504 E1558 L1559 N1560 P1565L1490-L1562 HydrophobicContact CB-CD2 4.13Å; L1490-L1562 HydrophobicContact CD2-CD2 4.28Å; L1493-L1562 HydrophobicContact CD2-CB 4.22Å; W1496-L1562 HydrophobicContact CH2-CD1 4.11Å; W1496-L1562 HydrophobicContact CH2-CD2 4.28Å; W1496-L1562 HydrophobicContact CZ3-CD1 4.14Å; W1504-L1562 HydrophobicContact CD2-CD1 3.88Å; W1504-L1562 HydrophobicContact CE3-CD1 4.41Å; W1504-L1562 HydrophobicContact CG-CD1 4.43Å; W1504-L1562 HydrophobicContact CH2-CD1 3.98Å; W1504-L1562 HydrophobicContact CZ2-CD1 3.37Å; W1504-L1562 HydrophobicContact CZ2-CG 4.14Å; W1504-L1562 HydrophobicContact CZ3-CD1 4.46Å; E1558-L1562 PolarHBondContact O-N 2.96Å; E1558-L1562 VanDerWaalsContact O-N 3.09Å; L1559-L1562 WeakPolarHBondContact O-CB 3.45Å; L1559-L1562 PolarHBondContact O-N 2.91Å; L1559-L1562 VanDerWaalsContact O-N 3.08Å; N1560-L1562 VanDerWaalsContact C-N 3.32Å; N1560-L1562 PolarHBondContact O-N 3.17Å; L1562-P1565 WeakPolarHBondContact O-CD 3.31Å
1563L87.7Confident72.4Confident4 Ų481.8 Ų81.82%0.02141%0.412CS..Hα-helixtrans-84.1-18.9-176.8-66.5179.8000113.1L1493 M1527 V1528 L1559 N1560 P1565 Y1566 R1567L1493-L1563 HydrophobicContact CD2-CD2 3.64Å; M1527-L1563 HydrophobicContact CB-CD2 4.37Å; M1527-L1563 WeakPolarHBondContact O-CD2 3.44Å; V1528-L1563 HydrophobicContact CG2-CD2 4.4Å; L1559-L1563 HydrophobicContact CD1-CD1 3.92Å; L1559-L1563 HydrophobicContact CD1-CG 4.14Å; L1559-L1563 HydrophobicContact CD2-CD1 4.32Å; L1559-L1563 HydrophobicContact CG-CD1 3.83Å; L1559-L1563 HydrophobicContact CG-CG 4.33Å; L1559-L1563 WeakPolarHBondContact O-CG 3.28Å; L1559-L1563 PolarHBondContact O-N 3.36Å; N1560-L1563 PolarHBondContact O-N 3.27Å; L1563-P1565 VanDerWaalsContact C-CD 3.47Å; L1563-Y1566 PolarHBondContact O-N 3.01Å; L1563-R1567 HydrophobicContact CB-CG 4.45Å; L1563-R1567 PolarHBondContact O-N 3.48Å
1564H80.6Confident69.3Low127 Ų12782.3 Ų82.359%0.58843%0.428SS*.Hα-helixtrans-50.4-46.6-178.6-16369.4000113.2N1560 Y1566 R1567 S1568N1560-H1564 WeakPolarHBondContact O-CB 3.48Å; N1560-H1564 PolarHBondContact O-N 3.42Å; H1564-Y1566 PolarHBondContact O-N 3.31Å; H1564-Y1566 VanDerWaalsContact O-N 3.15Å; H1564-R1567 PolarHBondContact O-N 3Å; H1564-S1568 PolarHBondContact CE1-OG 3.03Å; H1564-S1568 PolarHBondContact ND1-OG 3.3Å; H1564-S1568 VanDerWaalsContact O-CB 3.23Å; H1564-S1568 WeakPolarHBondContact O-CB 3.24Å; H1564-S1568 PolarHBondContact O-N 3.32Å; H1564-S1568 PolarHBondContact O-OG 2.8Å
1565P78.2Confident66.3Low63 Ų6383.7 Ų83.741%0.40944%0.444SS..Hα-helixtrans-62.7-23.5178.1-21.534.7000114.5L1562 L1563 V1569L1562-P1565 WeakPolarHBondContact O-CD 3.31Å; L1563-P1565 VanDerWaalsContact C-CD 3.47Å; P1565-V1569 WeakPolarHBondContact O-CG2 3.41Å
1566Y77.4Confident63Low68 Ų6895.1 Ų95.127%0.26749%0.487SS..Hα-helixtrans-97.1-32.1-176.8-60.3-85.7000112.6D1492 L1493 V1528 L1563 H1564D1492-Y1566 WeakPolarHBondContact CA-OH 3.35Å; D1492-Y1566 PolarHBondContact N-OH 2.99Å; L1493-Y1566 HydrophobicContact CB-CE2 3.74Å; L1493-Y1566 PolarHBondContact N-OH 3.35Å; V1528-Y1566 HydrophobicContact CG1-CD1 3.59Å; V1528-Y1566 HydrophobicContact CG1-CE1 4.24Å; V1528-Y1566 HydrophobicContact CG1-CG 3.83Å; V1528-Y1566 HydrophobicContact CG2-CD1 4.4Å; V1528-Y1566 HydrophobicContact CG2-CD2 4.27Å; V1528-Y1566 HydrophobicContact CG2-CE2 4.5Å; V1528-Y1566 HydrophobicContact CG2-CG 4.24Å; L1563-Y1566 PolarHBondContact O-N 3.01Å; H1564-Y1566 PolarHBondContact O-N 3.31Å; H1564-Y1566 VanDerWaalsContact O-N 3.15Å
1567R72.9Confident60.3Low109 Ų10996.6 Ų96.641%0.41150%0.503SS..Hα-helixtrans-84.9-24.7178-67.3-170.2-174.3-104.80.3113.3P1531 F1533 L1563 H1564 V1569P1531-R1567 PolarHBondContact O-NH1 2.99Å; P1531-R1567 PolarHBondContact O-NH2 3.34Å; F1533-R1567 PolarHBondContact O-NH2 3.47Å; L1563-R1567 HydrophobicContact CB-CG 4.45Å; L1563-R1567 PolarHBondContact O-N 3.48Å; H1564-R1567 PolarHBondContact O-N 3Å; R1567-V1569 PolarHBondContact O-N 3.03Å
1568S50.1Low57.3Low53 Ų53101 Ų10137%0.37152%0.523SS..G310 helixtrans-77.6-13.7-175.8-51.40000115.1H1564 N1570 Q1571H1564-S1568 PolarHBondContact CE1-OG 3.03Å; H1564-S1568 PolarHBondContact ND1-OG 3.3Å; H1564-S1568 VanDerWaalsContact O-CB 3.23Å; H1564-S1568 WeakPolarHBondContact O-CB 3.24Å; H1564-S1568 PolarHBondContact O-N 3.32Å; H1564-S1568 PolarHBondContact O-OG 2.8Å; S1568-N1570 PolarHBondContact O-N 2.96Å; S1568-N1570 VanDerWaalsContact O-N 3.14Å; S1568-Q1571 PolarHBondContact O-N 2.97Å
1569V42.2Very low54.3Low94 Ų94105.2 Ų105.257%0.5755%0.547SS*.G310 helixtrans-70.5-9.5-174.4179.20000112.8P1565 R1567P1565-V1569 WeakPolarHBondContact O-CG2 3.41Å; R1567-V1569 PolarHBondContact O-N 3.03Å
1570N33.9Very low51.3Low125 Ų125111 Ų11167%0.66859%0.587SS**G310 helixtrans-87-2.6-179.7-74.8-5.5000115.5S1568S1568-N1570 PolarHBondContact O-N 2.96Å; S1568-N1570 VanDerWaalsContact O-N 3.14Å
1571Q29.7Very low48.4Very low175 Ų175114.5 Ų114.582%0.81860%0.604SS**SBendtrans-111.2-16.1-174.8-69-173.77.400116.4S1568S1568-Q1571 PolarHBondContact O-N 2.97Å
1572N27.6Very low45.6Very low155 Ų155112.7 Ų112.783%0.82960%0.603SS**  trans-136.367.3-175.3-76.3-25.4000113.5
1573T27.6Very low43Very low125 Ų125117.3 Ų117.377%0.76763%0.628SS**  trans-138.583.9159.643.80000110.6V1575T1573-V1575 PolarHBondContact O-N 2.97Å
1574S26.4Very low40.4Very low119 Ų119123.2 Ų123.283%0.83265%0.65SS**  trans-54.7114.2156.8163.40000109.7
1575V28.9Very low38.3Very low121 Ų121120.8 Ų120.873%0.73364%0.642SS**SBendtrans57.692.9155.3-167.80000116.7T1573T1573-V1575 PolarHBondContact O-N 2.97Å
1576R24.7Very low36.7Very low241 Ų241120.4 Ų120.491%0.90964%0.639SS**  -159.899.1127.5-102.7177.3-168.4-161.83.3108.1N1578R1576-N1578 PolarHBondContact O-N 3.42Å
1577P37.4Very low34.8Very low110 Ų110117.8 Ų117.871%0.71463%0.631SS**  trans-83.7111.7178.232.1-26.5000107.8
1578N26.5Very low33.4Very low156 Ų156114.7 Ų114.783%0.83463%0.629SS**  trans166.268.2152.5-85.2-13.9000107.8R1576R1576-N1578 PolarHBondContact O-N 3.42Å
1579D27.8Very low32.9Very low139 Ų139114 Ų11474%0.74362%0.624SS**SBendtrans-146.6129.6148.9-87.3-38.3000106.3I1581D1579-I1581 PolarHBondContact O-N 3.28Å
1580S29.5Very low32.8Very low122 Ų122111.8 Ų111.885%0.85361%0.605SS**  trans-35.1100-175176.90000112.9M1582S1580-M1582 PolarHBondContact O-N 2.97Å
1581I29.7Very low33.1Very low155 Ų155108.6 Ų108.680%0.79559%0.587SS**  trans-51.4127173.2-71.1168.3000108.6D1579 N1583D1579-I1581 PolarHBondContact O-N 3.28Å; I1581-N1583 PolarHBondContact O-N 2.93Å
1582M30.7Very low33.6Very low94 Ų94101 Ų10146%0.46356%0.555SS.*  trans-48.3104176.5-69.2-77.9-170.200110.1R1471 S1580 Y1584R1471-M1582 PolarHBondContact NH2-SD 2.9Å; S1580-M1582 PolarHBondContact O-N 2.97Å; M1582-Y1584 VanDerWaalsContact C-N 3.31Å; M1582-Y1584 HydrophobicContact CB-CD2 3.96Å; M1582-Y1584 HydrophobicContact CB-CE2 3.45Å; M1582-Y1584 VanDerWaalsContact CB-CE2 3.45Å; M1582-Y1584 HydrophobicContact CG-CE2 4.35Å; M1582-Y1584 WeakPolarHBondContact O-CD2 3.43Å; M1582-Y1584 PolarHBondContact O-N 2.96Å
1583N33.5Very low34.3Very low109 Ų10996.4 Ų96.458%0.58354%0.535SS*.  trans-81.781.9179.2-156.25.9000108.7I1581 D1585 T1586I1581-N1583 PolarHBondContact O-N 2.93Å; N1583-D1585 PolarHBondContact O-N 3.43Å; N1583-T1586 VanDerWaalsContact O-CB 3.24Å; N1583-T1586 WeakPolarHBondContact O-CB 3.37Å; N1583-T1586 PolarHBondContact O-N 2.94Å; N1583-T1586 PolarHBondContact O-OG1 3.18Å
1584Y33.5Very low34.9Very low127 Ų12791.4 Ų91.450%0.49850%0.504SS..THydrogen-bonded Turntrans-59.1-24.4-179-70.4-82.2000112.7M1582 T1586 A1587M1582-Y1584 VanDerWaalsContact C-N 3.31Å; M1582-Y1584 HydrophobicContact CB-CD2 3.96Å; M1582-Y1584 HydrophobicContact CB-CE2 3.45Å; M1582-Y1584 VanDerWaalsContact CB-CE2 3.45Å; M1582-Y1584 HydrophobicContact CG-CE2 4.35Å; M1582-Y1584 WeakPolarHBondContact O-CD2 3.43Å; M1582-Y1584 PolarHBondContact O-N 2.96Å; Y1584-T1586 PolarHBondContact O-N 3.24Å; Y1584-A1587 PolarHBondContact O-N 3.2Å
1585D35.9Very low35.2Very low76 Ų7690.3 Ų90.341%0.40649%0.486SS..Hα-helixtrans-62.8-13.3172-68.9-35.5000113.2R424 N1583 A1587 S1589R424-D1585 IonicContact CZ-OD1 3.55Å; R424-D1585 IonicContact NH1-OD1 3.28Å; R424-D1585 PolarHBondContact NH1-OD1 2.97Å; N1583-D1585 PolarHBondContact O-N 3.43Å; D1585-A1587 VanDerWaalsContact C-N 3.26Å; D1585-A1587 PolarHBondContact O-N 2.91Å; D1585-S1589 WeakPolarHBondContact O-CA 3.4Å; D1585-S1589 WeakPolarHBondContact O-CB 3.45Å; D1585-S1589 PolarHBondContact O-N 3.48Å
1586T45Very low35.2Very low56 Ų5691.5 Ų91.534%0.34448%0.477SS..Hα-helixtrans-63.9-28.5176.2-44.40000112.1Y1463 N1583 Y1584 S1589 W1590Y1463-T1586 PolarHBondContact OH-O 3.27Å; N1583-T1586 VanDerWaalsContact O-CB 3.24Å; N1583-T1586 WeakPolarHBondContact O-CB 3.37Å; N1583-T1586 PolarHBondContact O-N 2.94Å; N1583-T1586 PolarHBondContact O-OG1 3.18Å; Y1584-T1586 PolarHBondContact O-N 3.24Å; T1586-S1589 CarbonylContact O-C 3.56Å; T1586-W1590 WeakPolarHBondContact O-CA 3.36Å; T1586-W1590 WeakPolarHBondContact O-CB 3.45Å; T1586-W1590 PolarHBondContact O-N 2.85Å
1587A36.8Very low35.5Very low12 Ų1281.7 Ų81.710%0.09944%0.444CS..Hα-helixtrans-71.1-51.5179.800000111.7Y1463 Y1584 D1585 S1589 W1590 I1591Y1463-A1587 HydrophobicContact CD1-CB 4.19Å; Y1463-A1587 HydrophobicContact CE1-CB 3.42Å; Y1463-A1587 VanDerWaalsContact CE1-CB 3.42Å; Y1463-A1587 WeakPolarHBondContact OH-CA 3.42Å; Y1463-A1587 PolarHBondContact OH-N 3.35Å; Y1584-A1587 PolarHBondContact O-N 3.2Å; D1585-A1587 VanDerWaalsContact C-N 3.26Å; D1585-A1587 PolarHBondContact O-N 2.91Å; A1587-S1589 VanDerWaalsContact C-N 3.33Å; A1587-W1590 PolarHBondContact O-N 3.39Å; A1587-W1590 VanDerWaalsContact O-N 3.15Å; A1587-I1591 WeakPolarHBondContact O-CG1 3.27Å; A1587-I1591 PolarHBondContact O-N 3.32Å
1588A43Very low34.9Very low45 Ų4584.8 Ų84.837%0.37245%0.45SS..Hα-helixtrans-61.4-43.3172.400000110.9W1590 I1591 A1592A1588-W1590 VanDerWaalsContact C-N 3.3Å; A1588-W1590 PolarHBondContact O-N 3.37Å; A1588-I1591 PolarHBondContact O-N 2.9Å; A1588-A1592 VanDerWaalsContact O-CB 3.28Å; A1588-A1592 WeakPolarHBondContact O-CB 3.49Å; A1588-A1592 PolarHBondContact O-N 2.94Å
1589S41.3Very low35.1Very low38 Ų3881.8 Ų81.827%0.26644%0.438SS..Hα-helixtrans-65.8-29174.6-174.90000112.6D1585 T1586 A1587 S1593D1585-S1589 WeakPolarHBondContact O-CA 3.4Å; D1585-S1589 WeakPolarHBondContact O-CB 3.45Å; D1585-S1589 PolarHBondContact O-N 3.48Å; T1586-S1589 CarbonylContact O-C 3.56Å; A1587-S1589 VanDerWaalsContact C-N 3.33Å; S1589-S1593 WeakPolarHBondContact O-CA 3.26Å; S1589-S1593 WeakPolarHBondContact O-CB 3.38Å; S1589-S1593 PolarHBondContact O-N 3.19Å; S1589-S1593 PolarHBondContact O-OG 2.69Å
1590W38.9Very low35.1Very low48 Ų4879.7 Ų79.718%0.18244%0.44CS..Hα-helixtrans-72.6-48.6173.4-126.865.3000109.3L1439 S1440 Y1463 I1466 T1586 A1587 A1588 A1592 S1593 V1594L1439-W1590 WeakPolarHBondContact O-CH2 3.48Å; S1440-W1590 WeakPolarHBondContact O-CZ2 3.37Å; Y1463-W1590 HydrophobicContact CD2-CB 3.96Å; Y1463-W1590 AromaticContact CD2-CD2 3.67Å; Y1463-W1590 HydrophobicContact CD2-CD2 3.67Å; Y1463-W1590 AromaticContact CD2-CE3 3.39Å; Y1463-W1590 HydrophobicContact CD2-CE3 3.39Å; Y1463-W1590 AromaticContact CD2-CG 3.94Å; Y1463-W1590 HydrophobicContact CD2-CG 3.94Å; Y1463-W1590 HydrophobicContact CD2-CZ3 4.13Å; Y1463-W1590 HydrophobicContact CE2-CB 3.42Å; Y1463-W1590 VanDerWaalsContact CE2-CB 3.42Å; Y1463-W1590 AromaticContact CE2-CD2 3.51Å; Y1463-W1590 HydrophobicContact CE2-CD2 3.51Å; Y1463-W1590 AromaticContact CE2-CE3 3.78Å; Y1463-W1590 HydrophobicContact CE2-CE3 3.78Å; Y1463-W1590 AromaticContact CE2-CG 3.36Å; Y1463-W1590 HydrophobicContact CE2-CG 3.36Å; I1466-W1590 HydrophobicContact CD1-CH2 4.48Å; I1466-W1590 HydrophobicContact CD1-CZ3 4.45Å; T1586-W1590 WeakPolarHBondContact O-CA 3.36Å; T1586-W1590 WeakPolarHBondContact O-CB 3.45Å; T1586-W1590 PolarHBondContact O-N 2.85Å; A1587-W1590 PolarHBondContact O-N 3.39Å; A1587-W1590 VanDerWaalsContact O-N 3.15Å; A1588-W1590 VanDerWaalsContact C-N 3.3Å; A1588-W1590 PolarHBondContact O-N 3.37Å; W1590-A1592 PolarHBondContact O-N 3.41Å; W1590-S1593 PolarHBondContact O-N 2.82Å; W1590-S1593 VanDerWaalsContact O-N 3.11Å; W1590-V1594 HydrophobicContact CD2-CG2 4.2Å; W1590-V1594 HydrophobicContact CE3-CG2 3.74Å; W1590-V1594 HydrophobicContact CZ3-CG2 4.07Å; W1590-V1594 WeakPolarHBondContact O-CB 3.44Å; W1590-V1594 WeakPolarHBondContact O-CG2 3.5Å; W1590-V1594 PolarHBondContact O-N 3.1Å
1591I40.2Very low35Very low57 Ų5782 Ų8229%0.29243%0.432SS..Hα-helixtrans-56.1-38.9176.1-66.8167000110.8L1460 A1587 A1588L1460-I1591 HydrophobicContact CD1-CD1 3.88Å; A1587-I1591 WeakPolarHBondContact O-CG1 3.27Å; A1587-I1591 PolarHBondContact O-N 3.32Å; A1588-I1591 PolarHBondContact O-N 2.9Å
1592A41.1Very low34.8Very low17 Ų1784.7 Ų84.714%0.1443%0.433CS..Hα-helixtrans-77.2-37.5174.800000113.5T413 A1588 W1590 V1594 E1595T413-A1592 HydrophobicContact CG2-CB 4.12Å; A1588-A1592 VanDerWaalsContact O-CB 3.28Å; A1588-A1592 WeakPolarHBondContact O-CB 3.49Å; A1588-A1592 PolarHBondContact O-N 2.94Å; W1590-A1592 PolarHBondContact O-N 3.41Å; A1592-V1594 PolarHBondContact O-N 3.27Å; A1592-E1595 WeakPolarHBondContact O-CA 3.42Å; A1592-E1595 WeakPolarHBondContact O-CB 3.34Å; A1592-E1595 PolarHBondContact O-N 2.97Å
1593S41.1Very low34.5Very low58 Ų5888.1 Ų88.141%0.40645%0.448SS..Hα-helixtrans-70.3-27.2176.3-63.80000111.9S1589 W1590 E1595 R1596S1589-S1593 WeakPolarHBondContact O-CA 3.26Å; S1589-S1593 WeakPolarHBondContact O-CB 3.38Å; S1589-S1593 PolarHBondContact O-N 3.19Å; S1589-S1593 PolarHBondContact O-OG 2.69Å; W1590-S1593 PolarHBondContact O-N 2.82Å; W1590-S1593 VanDerWaalsContact O-N 3.11Å; S1593-E1595 PolarHBondContact O-N 3.01Å; S1593-R1596 WeakPolarHBondContact O-CB 3.48Å; S1593-R1596 PolarHBondContact O-N 3.36Å
1594V41Very low34.2Very low20 Ų2088.6 Ų88.612%0.12145%0.451CS..THydrogen-bonded Turntrans-70.3-11172.5168.90000109.8T1443 K1444 W1590 A1592T1443-V1594 VanDerWaalsContact C-CG1 3.43Å; K1444-V1594 HydrophobicContact CB-CG1 3.63Å; K1444-V1594 WeakPolarHBondContact CB-O 3.47Å; K1444-V1594 HydrophobicContact CG-CG1 4.45Å; K1444-V1594 PolarHBondContact N-O 2.82Å; W1590-V1594 HydrophobicContact CD2-CG2 4.2Å; W1590-V1594 HydrophobicContact CE3-CG2 3.74Å; W1590-V1594 HydrophobicContact CZ3-CG2 4.07Å; W1590-V1594 WeakPolarHBondContact O-CB 3.44Å; W1590-V1594 WeakPolarHBondContact O-CG2 3.5Å; W1590-V1594 PolarHBondContact O-N 3.1Å; A1592-V1594 PolarHBondContact O-N 3.27Å
1595E32.1Very low33.7Very low96 Ų9690.7 Ų90.745%0.44947%0.465SS..THydrogen-bonded Turntrans-87.5-7.8165.3-62.6178.4147.400114.7K1444 A1592 S1593K1444-E1595 HydrophobicContact CD-CG 3.69Å; K1444-E1595 IonicContact NZ-OE1 3.67Å; K1444-E1595 PolarHBondContact NZ-OE1 3.4Å; A1592-E1595 WeakPolarHBondContact O-CA 3.42Å; A1592-E1595 WeakPolarHBondContact O-CB 3.34Å; A1592-E1595 PolarHBondContact O-N 2.97Å; S1593-E1595 PolarHBondContact O-N 3.01Å
1596R29.5Very low33.3Very low146 Ų14695.6 Ų95.655%0.55148%0.483SS*.SBendtrans-69.2141176.9-97.7-173.3-167.9-141.12.1111.9S1593S1593-R1596 WeakPolarHBondContact O-CB 3.48Å; S1593-R1596 PolarHBondContact O-N 3.36Å
1597P31.1Very low32.3Very low34 Ų34101.5 Ų101.522%0.22151%0.507CS..  trans-76.1155.5171.31.917.8000110.2R405 E409R405-P1597 VanDerWaalsContact CZ-CG 3.44Å; E409-P1597 WeakPolarHBondContact OE2-CD 3.45Å; E409-P1597 WeakPolarHBondContact OE2-CG 3.39Å
1598E25.7Very low31.8Very low176 Ų176107.4 Ų107.482%0.82254%0.542SS*.  trans-38.2119.5-177.1-79.2-157.1146.800113.1A1600E1598-A1600 PolarHBondContact O-N 2.89Å
1599P30.7Very low31.1Very low92 Ų92108.7 Ų108.760%0.59756%0.559SS**  trans-71.3120.4164.117.8-10.1000107.8Y1601P1599-Y1601 HydrophobicContact CG-CE2 4.19Å; P1599-Y1601 WeakPolarHBondContact O-CD2 3.47Å; P1599-Y1601 PolarHBondContact O-N 3.35Å
1600A26.8Very low30.4Very low95 Ų95114.7 Ų114.779%0.78559%0.589SS**  trans-53.9103.7168.100000108.8E1598 Y1602E1598-A1600 PolarHBondContact O-N 2.89Å; A1600-Y1602 PolarHBondContact O-N 2.95Å
1601Y27.7Very low30Very low171 Ų171117.2 Ų117.267%0.67162%0.619SS**  trans-71.1121.2179-88.2-89.3000109P1599 E1603P1599-Y1601 HydrophobicContact CG-CE2 4.19Å; P1599-Y1601 WeakPolarHBondContact O-CD2 3.47Å; P1599-Y1601 PolarHBondContact O-N 3.35Å; Y1601-E1603 PolarHBondContact O-N 3.49Å
1602Y24.8Very low29.4Very low212 Ų212123 Ų12383%0.83165%0.65SS**  trans-47.8118.7-178.7-90.3-98.5000112.9A1600 N1604A1600-Y1602 PolarHBondContact O-N 2.95Å; Y1602-N1604 PolarHBondContact O-N 3.3Å
1603E24.1Very low28.6Very low166 Ų166125.7 Ų125.778%0.77668%0.679SS**  trans-76.693.7168.3-166.4165.9-160.200108.3Y1601 Q1605Y1601-E1603 PolarHBondContact O-N 3.49Å; E1603-Q1605 PolarHBondContact O-N 3.03Å; E1603-Q1605 VanDerWaalsContact O-N 3.09Å
1604N27.3Very low28Very low119 Ų119128.8 Ų128.864%0.63670%0.701SS**  trans-74.296.1174-79.8-29.4000109.4Y1602 F1606Y1602-N1604 PolarHBondContact O-N 3.3Å; N1604-F1606 HydrophobicContact CB-CD2 4.15Å; N1604-F1606 HydrophobicContact CB-CE2 3.84Å; N1604-F1606 PolarHBondContact O-N 3.45Å; N1604-F1606 VanDerWaalsContact O-N 3.11Å
1605Q23.9Very low27.2Very low170 Ų170135.7 Ų135.779%0.79474%0.737SS**  trans-6998.8162.8-72.4-177.8-13.800108.7E1603 E1607E1603-Q1605 PolarHBondContact O-N 3.03Å; E1603-Q1605 VanDerWaalsContact O-N 3.09Å; Q1605-E1607 PolarHBondContact O-N 3.5Å
1606F26.9Very low27Very low179 Ų179136.6 Ų136.679%0.78575%0.754SS**  trans-77.898.4167.9-77.7-85000108.8N1604 T1608N1604-F1606 HydrophobicContact CB-CD2 4.15Å; N1604-F1606 HydrophobicContact CB-CE2 3.84Å; N1604-F1606 PolarHBondContact O-N 3.45Å; N1604-F1606 VanDerWaalsContact O-N 3.11Å; F1606-T1608 PolarHBondContact O-N 3.32Å
1607E24.8Very low26.8Very low181 Ų181134.7 Ų134.785%0.84676%0.763SS**  trans-70.4113.7160.3-75.1-170.116500108.7Q1605 G1609Q1605-E1607 PolarHBondContact O-N 3.5Å; E1607-G1609 PolarHBondContact O-N 2.99Å
1608T26.7Very low26.4Very low135 Ų135144 Ų14483%0.82880%0.796SS**  trans-70.392.6176.549.10000110.1F1606F1606-T1608 PolarHBondContact O-N 3.32Å
1609G27.7Very low26.3Very low72 Ų72146.7 Ų146.774%0.74280%0.798SS**  trans-94.297.1167.500000111E1607 A1611E1607-G1609 PolarHBondContact O-N 2.99Å; G1609-A1611 PolarHBondContact O-N 3.47Å
1610D26.5Very low26.2Very low165 Ų165148 Ų14888%0.88281%0.807SS**  trans-66.6109.7167.5-84.1-35.4000110.1
1611A30.8Very low26Very low100 Ų100149.3 Ų149.383%0.82681%0.81SS**  trans-141.890.9164.700000109.8G1609G1609-A1611 PolarHBondContact O-N 3.47Å
1612L26.7Very low25.8Very low178 Ų178147 Ų14793%0.93281%0.814SS**  trans-65.9127.4170.5-77.8158.5000111.2
1613G25.6Very low25.8Very low74 Ų74146 Ų14676%0.76382%0.817SS**  trans91.1111.9138.900000118.3
1614S27.8Very low25.7Very low123 Ų123145.9 Ų145.986%0.8682%0.817SS**  -162.5109.8122.1660000110.6
1615D24.4Very low25.7Very low166 Ų166149.1 Ų149.189%0.88883%0.827SS**  trans-53.7137.1164.4-95.9-42.4000112.1
1616S27.9Very low25.6Very low115 Ų115148.9 Ų148.980%0.80483%0.826SS**  trans-138.196.8153.3178.30000109
1617S24.9Very low25.4Very low106 Ų106152.1 Ų152.174%0.74183%0.833SS**  trans-75.5127.6179.852.40000111.8
1618Y22.9Very low25.5Very low229 Ų229152.1 Ų152.190%0.89883%0.833SS**  trans-122.1117160.1-115.1-91.2000108.9
1619R23.8Very low25.2Very low233 Ų233149.2 Ų149.288%0.87983%0.83SS**PPolyproline II helixtrans-96.1119.1-170.7-178.6-175-173.3-170.93.1110.2
1620P27.2Very low25.1Very low120 Ų120153.3 Ų153.378%0.77983%0.833SS**PPolyproline II helixtrans-94.5129.8170.39.29.6000111.1
1621S23.4Very low24.9Very low122 Ų122150.5 Ų150.585%0.85383%0.826SS**PPolyproline II helixtrans-70.6127.6-175.5-590000113.3
1622T23.1Very low24.5Very low123 Ų123156.9 Ų156.976%0.75583%0.829SS**PPolyproline II helixtrans-73.5127.4169.646.40000111.8
1623Q25.2Very low24.5Very low189 Ų189153.1 Ų153.188%0.88381%0.81SS**  trans-121.2106.8152.3-93.2-177.6-3.400109
1624Q21.9Very low24.6Very low165 Ų165157.5 Ų157.577%0.77181%0.814SS**  trans-74126.4174.1-68.9172.8-20.500109.5
1625H27.4Very low24.5Very low186 Ų186157.6 Ų157.686%0.86181%0.809SS**  trans-125.9101.4153.9-89.5-62.6000109.3
1626Q22.2Very low24.8Very low166 Ų166155.3 Ų155.378%0.77680%0.804SS**  trans-58.7132.3162.5-73167.3-13.600109.5
1627R23.5Very low24.7Very low247 Ų247157.8 Ų157.893%0.93281%0.806SS**  trans-156.5139.9145.3-111.1175.3-166.1-152.33.9112
1628H25.5Very low24.7Very low180 Ų180158.2 Ų158.283%0.83381%0.809SS**  trans-69.4140.7-158.5-65.4-68.3000115.4
1629G21.4Very low24.9Very low74 Ų74156.3 Ų156.376%0.76381%0.808SS**  trans-79.3145.2164.600000112.1
1630I25.1Very low25Very low158 Ų158150.9 Ų150.981%0.8181%0.806SS**  trans-129.5108.6158.9-64.9179000106.8
1631S22.3Very low25.1Very low106 Ų106149.6 Ų149.674%0.74180%0.8SS**  trans-61.8127.6171.9-67.20000111.2
1632R22.8Very low25.4Very low234 Ų234151 Ų15188%0.88380%0.798SS**  trans-118123.3159.5-85.5-173.5175.8173.7-0.7109.8
1633N26.8Very low25.6Very low100 Ų100148.4 Ų148.454%0.53580%0.795SS.*  trans-79.5124-176.6-64.5-24.7000110.4R1657N1633-R1657 PolarHBondContact ND2-NH1 3.15Å; N1633-R1657 VanDerWaalsContact OD1-CZ 3.25Å; N1633-R1657 PolarHBondContact OD1-NH1 3.48Å; N1633-R1657 VanDerWaalsContact OD1-NH1 3.12Å; N1633-R1657 PolarHBondContact OD1-NH2 3.12Å
1634I26.5Very low25.8Very low166 Ų166141.7 Ų141.785%0.85177%0.772SS**  trans-82.7129169.9-64.5165.8000107.4
1635V25.5Very low26.1Very low124 Ų124137.8 Ų137.875%0.75276%0.761SS**  trans-109.1138.9170173.60000107.3
1636P30.8Very low26.2Very low119 Ų119134.6 Ų134.677%0.77376%0.757SS**PPolyproline II helixtrans-90147.4-157.420.6-5.7000113.7
1637I26.3Very low26.5Very low166 Ų166131.8 Ų131.885%0.85175%0.746SS**PPolyproline II helixtrans-94.8140.9178.2-65.4170.5000109.7
1638S25.5Very low26.5Very low116 Ų116125.1 Ų125.181%0.81174%0.735SS**PPolyproline II helixtrans-53.7143.7-170.7-27.70000116
1639E25.9Very low26.5Very low188 Ų188123.4 Ų123.488%0.87973%0.73SS**PPolyproline II helixtrans-62.4131.5-178.3-62.8166149.400114
1640S26.9Very low26.7Very low120 Ų120127.7 Ų127.784%0.83972%0.723SS**  trans-100.996.1147.365.20000107.6N1642S1640-N1642 PolarHBondContact O-N 2.98Å
1641S29.8Very low26.8Very low92 Ų92124.1 Ų124.164%0.64372%0.718SS**THydrogen-bonded Turntrans-69.7117.9175.741.80000110.4
1642N28.3Very low27Very low153 Ų153127.7 Ų127.782%0.81872%0.723SS**THydrogen-bonded Turntrans167.7-1152-85-11.2000113.8S1640S1640-N1642 PolarHBondContact O-N 2.98Å
1643G27.1Very low27.2Very low67 Ų67126 Ų12669%0.69172%0.716SS**SBendtrans-85.7130.8164.900000110.9
1644A30.3Very low27.1Very low49 Ų49129.2 Ų129.241%0.40573%0.733SS.*PPolyproline II helixtrans-53.8128.8167.200000108.5
1645P28.5Very low27.2Very low83 Ų83126.7 Ų126.754%0.53973%0.726SS.*PPolyproline II helixtrans-61.7130.3-17623.5-31.4000109.2I1647P1645-I1647 PolarHBondContact O-N 3.43Å
1646P29.2Very low27.1Very low119 Ų119128 Ų12877%0.77372%0.724SS**PPolyproline II helixtrans-60.7135.8177.223.4-31.3000109.7P1648P1646-P1648 WeakPolarHBondContact O-CD 3.42Å; P1646-P1648 VanDerWaalsContact O-N 3.09Å
1647I27.5Very low26.9Very low107 Ų107131 Ų13155%0.54972%0.72SS.*  trans-54.7111.7-178.3-60.1170.3000108.5P1645 I1649P1645-I1647 PolarHBondContact O-N 3.43Å; I1647-I1649 PolarHBondContact O-N 3Å
1648P24.5Very low26.8Very low107 Ų107134.7 Ų134.770%0.69572%0.723SS**  trans-74.7104.3-179.4-10.926.9000109P1646 R1650P1646-P1648 WeakPolarHBondContact O-CD 3.42Å; P1646-P1648 VanDerWaalsContact O-N 3.09Å; P1648-R1650 PolarHBondContact O-N 3.06Å
1649I26.5Very low26.6Very low143 Ų143139.9 Ų139.973%0.73373%0.726SS**  trans-60.8124.1160.4-58.9172.3000106.2I1647 A1651I1647-I1649 PolarHBondContact O-N 3Å; I1649-A1651 PolarHBondContact O-N 3.39Å
1650R24.6Very low26.7Very low164 Ų164136.8 Ų136.862%0.61972%0.723SS**  trans-53.990.7-173.2-174.1177.5-177.6166.8-0.2112.2P1648 Q1652P1648-R1650 PolarHBondContact O-N 3.06Å; R1650-Q1652 PolarHBondContact O-N 2.91Å
1651A26.9Very low26.4Very low84 Ų84137.4 Ų137.469%0.69472%0.721SS**  trans-68.3127.3156.600000107.4I1649 R1653I1649-A1651 PolarHBondContact O-N 3.39Å; A1651-R1653 PolarHBondContact O-N 3.1Å
1652Q27.2Very low26.2Very low180 Ų180138.3 Ų138.384%0.84173%0.728SS**  trans-48.2103.2-177.9-69.5178.2-30.900110.9R1650 N1654R1650-Q1652 PolarHBondContact O-N 2.91Å; Q1652-N1654 PolarHBondContact O-N 3.36Å
1653R26.1Very low25.9Very low200 Ų200137.3 Ų137.376%0.75573%0.727SS**  trans-66102.8176.2-82.6-172.5-173.8170.76.2109.1A1651 T1655A1651-R1653 PolarHBondContact O-N 3.1Å; R1653-T1655 VanDerWaalsContact C-N 3.34Å; R1653-T1655 HydrophobicContact CB-CG2 4.22Å; R1653-T1655 PolarHBondContact O-N 2.91Å
1654N26Very low25.8Very low166 Ų166139.2 Ų139.289%0.88873%0.73SS**  trans-70.490.2160.9-91.6-24.3000109.1Q1652 E1656Q1652-N1654 PolarHBondContact O-N 3.36Å; N1654-E1656 PolarHBondContact O-N 3.36Å
1655T27.3Very low25.4Very low114 Ų114145.2 Ų145.270%0.69975%0.75SS**  trans-82.381173.554.50000110.6R1653R1653-T1655 VanDerWaalsContact C-N 3.34Å; R1653-T1655 HydrophobicContact CB-CG2 4.22Å; R1653-T1655 PolarHBondContact O-N 2.91Å
1656E23.8Very low25.1Very low152 Ų152148.2 Ų148.271%0.7176%0.761SS**  trans-132.596.1160.2-79.4-175.1-169.100109K1394 N1654K1394-E1656 IonicContact NZ-OE1 2.84Å; K1394-E1656 PolarHBondContact NZ-OE1 2.9Å; N1654-E1656 PolarHBondContact O-N 3.36Å
1657R26.6Very low25Very low182 Ų182149 Ų14969%0.68776%0.763SS**  trans-159.597159.7-112.5167.5-135.3-110.2-5.4110.8N1633N1633-R1657 PolarHBondContact ND2-NH1 3.15Å; N1633-R1657 VanDerWaalsContact OD1-CZ 3.25Å; N1633-R1657 PolarHBondContact OD1-NH1 3.48Å; N1633-R1657 VanDerWaalsContact OD1-NH1 3.12Å; N1633-R1657 PolarHBondContact OD1-NH2 3.12Å
1658R24.9Very low24.8Very low242 Ų242149.6 Ų149.691%0.91377%0.772SS**  trans-63133.2160.5-85.1179.7-178168.71109.1P1660R1658-P1660 WeakPolarHBondContact O-CD 3.14Å
1659Y21Very low24.9Very low225 Ų225152.4 Ų152.488%0.88278%0.781SS**  trans-55.3135.1167.6-63.1-91.3000111.8
1660P27.5Very low24.7Very low124 Ų124150.2 Ų150.281%0.80578%0.779SS**  trans-118.311314629.3-14000109.2R1658R1658-P1660 WeakPolarHBondContact O-CD 3.14Å
1661T21.4Very low24.6Very low132 Ų132150.7 Ų150.781%0.8179%0.788SS**  trans-58.5124.4164.3-26.60000109.1
1662S24.7Very low24.7Very low112 Ų112154.2 Ų154.278%0.78380%0.795SS**  trans174.4109.5141.5-78.20000111.7
1663T22Very low24.6Very low131 Ų131154.9 Ų154.980%0.80480%0.798SS**  trans0.9127140.1-37.20000117.3
1664S25.5Very low24.9Very low108 Ų108151 Ų15176%0.75580%0.798SS**  162.2106119.2-67.70000112.1
1665Q22.4Very low25.3Very low174 Ų174148.8 Ų148.881%0.81379%0.793SS**  trans25.2133.3133.8-72.4-172.62.300122.1
1666L21.9Very low25.3Very low146 Ų146152 Ų15276%0.76481%0.805SS**  trans75.2115.9140.4-63.4160.8000118.3
1667T27.1Very low25.4Very low135 Ų135151.5 Ų151.583%0.82881%0.808SS**  172.8132.387.2-53.60000109.2
1668V22.5Very low25.4Very low121 Ų121147 Ų14773%0.73381%0.81SS**  trans-69.4135.3176.7171.50000110.4
1669N26.8Very low25.4Very low166 Ų166142.4 Ų142.489%0.88880%0.803SS**  trans-153.6132.6147.8-109.9-13.4000112.5
1670S22.9Very low25.7Very low97 Ų97139.6 Ų139.668%0.67880%0.802SS**  trans-81.3171.3-172.2-63.80000114
1671Q22.9Very low25.6Very low174 Ų174140.1 Ų140.181%0.81381%0.809SS**  trans83.298.8160.6-66.7175.1-26.100117.8
1672N27.9Very low25.7Very low157 Ų157144.2 Ų144.284%0.8481%0.809SS**  167.6117.5114.6-83-29.1000111.5
1673Q26.4Very low25.7Very low194 Ų194145.3 Ų145.391%0.90781%0.807SS**  trans-67141.4157.9-76.2-179.6-13.100108.6
1674P31.7Very low25.9Very low118 Ų118147 Ų14777%0.76681%0.81SS**  -155.6-161.590.944.7-23.2000113.1
1675P34.6Very low25.9Very low120 Ų120150.3 Ų150.378%0.77981%0.813SS**  -106.5140.4-109.926.9-5.3000113.9
1676L26.4Very low25.9Very low182 Ų182152 Ų15295%0.95381%0.814SS**  trans-95.8116.4-179.7-86.7168.1000113.2
1677N26.2Very low26.1Very low142 Ų142156.7 Ų156.776%0.75982%0.821SS**  trans-63.9122.6-179.2-156-20.8000111.5N1679N1677-N1679 PolarHBondContact O-N 3.17Å
1678A26.5Very low26Very low88 Ų88158.2 Ų158.273%0.72782%0.824SS**  trans-75.8110.7170.800000109.2
1679N26.2Very low26.3Very low144 Ų144156.6 Ų156.677%0.7782%0.824SS**  trans-174.4104.1157.6-93.5-46000110.1N1677N1677-N1679 PolarHBondContact O-N 3.17Å
1680L26.3Very low26.5Very low166 Ų166151.6 Ų151.687%0.86981%0.812SS**  trans173.180.2140.3-93.2148.5000110
1681S26Very low26.6Very low135 Ų135155.2 Ų155.294%0.94482%0.82SS**  trans-134.390.1155-660000106.6
1682R23.6Very low26.8Very low218 Ų218152.3 Ų152.382%0.82382%0.817SS**  trans-115.1132.7175.2-139.6-175.1-162.8-177.65.1107
1683N24.8Very low26.8Very low136 Ų136151.3 Ų151.373%0.72781%0.812SS**  trans78.2110.5179.6-57.5-39.8000113.6
1684L25Very low26.9Very low165 Ų165148.6 Ų148.686%0.86480%0.804SS**  cis-129.1109.344.3-72.9150.4000111.5Y1686L1684-Y1686 PolarHBondContact O-N 3.11Å
1685Q25.2Very low26.7Very low178 Ų178150.2 Ų150.283%0.83281%0.806SS**  trans-72.691.3170.1-78.4173.2-20.400109.4R1687Q1685-R1687 PolarHBondContact O-N 3.47Å
1686Y22.8Very low26.2Very low209 Ų209154.7 Ų154.782%0.8281%0.809SS**  trans-67.9117.6146.5-94.1-87.9000106.9L1684 N1688L1684-Y1686 PolarHBondContact O-N 3.11Å; Y1686-N1688 PolarHBondContact O-N 3.48Å
1687R25.7Very low26.2Very low245 Ų245150.8 Ų150.893%0.92580%0.797SS**  trans-59.7103.6178.8-91178.7162.7169.8-5.6109.7Q1685Q1685-R1687 PolarHBondContact O-N 3.47Å
1688N26.3Very low26Very low167 Ų167152.5 Ų152.589%0.89380%0.798SS**  trans-72.7118.1161.9-73.4-23000108.6Y1686Y1686-N1688 PolarHBondContact O-N 3.48Å
1689A29.3Very low26Very low88 Ų88156.2 Ų156.273%0.72781%0.805SS**  trans-100.2122.2171.200000109.3
1690G29.6Very low26Very low61 Ų61156.6 Ų156.663%0.62980%0.801SS**  trans78.188.5153.300000116.6
1691M25.7Very low26.1Very low172 Ų172156 Ų15685%0.84780%0.799SS**  trans-69.7131.7157.6-61.4-149.769.300109.4
1692C26.2Very low26.2Very low113 Ų113156.9 Ų156.976%0.76479%0.788SS**  trans-100.6119.9157.5-72.20000106.7D1694C1692-D1694 PolarHBondContact O-N 2.9Å
1693D28.9Very low26.7Very low137 Ų137151.9 Ų151.973%0.73378%0.784SS**  trans-69.2106.5177.8-70.4-47.7000110.2
1694D28.1Very low27.3Very low137 Ų137149.6 Ų149.673%0.73378%0.779SS**  trans-113.281.1163.2-79.6-36.1000108.9C1692 Y1696C1692-D1694 PolarHBondContact O-N 2.9Å; D1694-Y1696 VanDerWaalsContact C-N 3.32Å; D1694-Y1696 HydrophobicContact CB-CD2 4.42Å; D1694-Y1696 PolarHBondContact O-N 3.46Å
1695N28.1Very low27.8Very low151 Ų151148.1 Ų148.181%0.80777%0.767SS**  trans-69.686.3163.2-86-31.6000109.3
1696Y22.7Very low28.2Very low215 Ų215145.3 Ų145.384%0.84376%0.758SS**  trans-101.478.1160.7-86.7-87.3000109.3D1694D1694-Y1696 VanDerWaalsContact C-N 3.32Å; D1694-Y1696 HydrophobicContact CB-CD2 4.42Å; D1694-Y1696 PolarHBondContact O-N 3.46Å
1697S26.5Very low28.7Very low100 Ų100143.2 Ų143.270%0.69976%0.755SS**  trans-91.2103.2162.662.40000109.1L1699S1697-L1699 PolarHBondContact O-N 3.28Å
1698F22.6Very low29.4Very low178 Ų178139.1 Ų139.178%0.78174%0.74SS**  trans-36113.7158.1-136.5-105.6000111.4H1700F1698-H1700 AromaticContact CD1-CD2 3.79Å; F1698-H1700 AromaticContact CE1-CD2 3.82Å; F1698-H1700 AromaticContact CE1-NE2 3.64Å
1699L27.3Very low29.9Very low166 Ų166140 Ų14087%0.86973%0.731SS**  trans-122.7106.3156.6-81.2177.1000108.2S1697S1697-L1699 PolarHBondContact O-N 3.28Å
1700H24.7Very low30.3Very low151 Ų151141.8 Ų141.870%0.69973%0.727SS**  trans-43.8129158.1-87.6-93.9000110.8F1698F1698-H1700 AromaticContact CD1-CD2 3.79Å; F1698-H1700 AromaticContact CE1-CD2 3.82Å; F1698-H1700 AromaticContact CE1-NE2 3.64Å
1701N28.5Very low30.8Very low155 Ų155148.2 Ų148.283%0.82974%0.738SS**  trans-162117.6140-93.6-22.8000109.9
1702E29.2Very low31.3Very low153 Ų153149 Ų14972%0.71574%0.737SS**  trans51.9115.3147-79.8-86133.800119.7S1704E1702-S1704 PolarHBondContact O-N 3.27Å; E1702-S1704 VanDerWaalsContact O-N 3.16Å
1703P33.5Very low31.5Very low113 Ų113153.3 Ų153.373%0.73475%0.752SS**THydrogen-bonded Turntrans-88.331.2-165.437.9-35.5000115.5
1704S36.9Very low31.7Very low87 Ų87154.1 Ų154.161%0.60875%0.753SS**THydrogen-bonded Turntrans-91.3-2.1-177.6-36.40000114.3E1702E1702-S1704 PolarHBondContact O-N 3.27Å; E1702-S1704 VanDerWaalsContact O-N 3.16Å
1705Q36.7Very low31.9Very low135 Ų135155 Ų15563%0.63175%0.754SS**SBendtrans-100.7-14.4179.4-74.2-110.60.600113.7E1707 R1708 R1709Q1705-E1707 VanDerWaalsContact C-N 3.31Å; Q1705-E1707 PolarHBondContact O-N 3.27Å; Q1705-R1708 PolarHBondContact O-N 3.32Å; Q1705-R1709 PolarHBondContact O-N 3.34Å
1706L32.9Very low32.1Very low119 Ų119155.2 Ų155.262%0.62375%0.751SS**Hα-helixtrans-70.5-30.4-179.1-161.970.7000112R1708 R1709 L1710L1706-R1708 VanDerWaalsContact C-N 3.33Å; L1706-R1708 PolarHBondContact O-N 3.41Å; L1706-R1709 PolarHBondContact O-N 3.46Å; L1706-L1710 HydrophobicContact CG-CD1 4.39Å; L1706-L1710 PolarHBondContact O-N 3.22Å; L1706-L1710 VanDerWaalsContact O-N 3.08Å
1707E34Very low32.6Very low165 Ų165151.7 Ų151.777%0.77175%0.745SS**Hα-helixtrans-70.3-29.4175.9-142.6174.4-165.800112.3Q1705Q1705-E1707 VanDerWaalsContact C-N 3.31Å; Q1705-E1707 PolarHBondContact O-N 3.27Å
1708R38.7Very low33Very low158 Ų158154.9 Ų154.960%0.59675%0.748SS**Hα-helixtrans-75.6-27.4172.2-80.5-171.1-171.5-177.32113.3Q1705 L1706Q1705-R1708 PolarHBondContact O-N 3.32Å; L1706-R1708 VanDerWaalsContact C-N 3.33Å; L1706-R1708 PolarHBondContact O-N 3.41Å
1709R36.9Very low33.7Very low187 Ų187153.4 Ų153.471%0.70675%0.746SS**Hα-helixtrans-84.1-28178.5-86.4-173.6162.6179-3.4113.7Q1705 L1706 K1711 K1712 N1713Q1705-R1709 PolarHBondContact O-N 3.34Å; L1706-R1709 PolarHBondContact O-N 3.46Å; R1709-K1711 VanDerWaalsContact C-N 3.28Å; R1709-K1711 PolarHBondContact O-N 3.31Å; R1709-K1712 PolarHBondContact O-N 3.12Å; R1709-N1713 PolarHBondContact O-N 3.3Å
1710L39.2Very low34.2Very low125 Ų125152.5 Ų152.565%0.65474%0.737SS**Hα-helixtrans-74.7-13.2174.5-82.1163.2000114.3L1706L1706-L1710 HydrophobicContact CG-CD1 4.39Å; L1706-L1710 PolarHBondContact O-N 3.22Å; L1706-L1710 VanDerWaalsContact O-N 3.08Å
1711K39.5Very low34.9Very low196 Ų196152.6 Ų152.685%0.85274%0.74SS**THydrogen-bonded Turntrans-89.8-1.5167.2-91.7-176.7176.5175.50114.3R1709R1709-K1711 VanDerWaalsContact C-N 3.28Å; R1709-K1711 PolarHBondContact O-N 3.31Å
1712K35.8Very low35.4Very low189 Ų189152.4 Ų152.482%0.82273%0.733SS**THydrogen-bonded Turntrans-119.3-5.9-178.8-111.5-177.1-179.4177.50115.3R1709R1709-K1712 PolarHBondContact O-N 3.12Å
1713N31.5Very low36Very low202 Ų202152.4 Ų152.4100%1.0873%0.734SS**  trans-104.70158.7-75-19.4000108.2R1709R1709-N1713 PolarHBondContact O-N 3.3Å

Retrieved 1,713 of 1,713 residues in 1395 ms (Link to these results)