A0A5K4F146_SCHMA Loading...

Liprin-alpha-1

AlphaFold DB , UniProt , Accession A0A5K4F146, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,710 aa.

>A0A5K4F146_SCHMA|A0A5K4F146
MICDVMPTINEDIGSQGDRDSLVSADGTNVEDMLLSMLDERDRLMEGLRESQEQVNETRTRLSEVERERDKLHAQLSAKMPQDVVEMSKKLTEVEEQLIERCDEIDDLKAERNNMKILLEHLENLVARHEKSLRMTVVKRHTSTAMSNSTNSLIPGGTMADGETVCSEMDILNSSPNYSMNATTGSTSPSMAGLGSEVEVLKALKSLFEHHKVLDEKVHNRLRVSQNKVTDLENELFELKRSKINSSSTANICNDNNIHRTMISSETQVDKDFIKDVDTDIKNNPDQIQKLSLKETASLPKGSVEISKSSELLSSSPVLNASLSNLFYGSASAAALEAANRIKELQENLEQRASELLAARRQVIELTSRSRESSNSLSLAQSELNRANDQIERLTRELRESEQRRTDQESLATSLEQRYLVAQRELNTAQDMTDKLRAELAFKSTQLKQQEEKVRTLQIKLDTVEDDLLQSRSLSNHFLTKSLKTKYINDEVDIDDDEDEDEDDINAGTEYNEENACSDESNPELLNKQISEGELEQENDSITDLENKRIRKIKSIRSALKRNHYSRRIIQQEWNSYEDHVKELTDEIEEVRQELTRAKEREIINEEHITRLSGTVDKLLQESNERLQNHLQERMSALEQKQNLSNQVEQIKRALETAIREREANITESMLLRQKLSELAAAFRYSQAQLAIAHTSTSAAQATIMALAKASAEKVNMERLQQQHNTDISLQNSVCPSSVVEKYETEQSSPIDFISRLITNTWIHSQANNNSDQPIEMNLDGELNNIQSLPNTNNDNNNNNNMITLYQSNELQEMLTRQNLMNFNDPSLQLNHDTVNQLSLNDVFNFMKMKQLPNATSQHNIQESATDSTTDPQSLAYMLKNQLDAINNEIKLIQHEKATTEMLADELKGRFGTTDINVHNINNEFKTKNQYADSRPIGNDGNNNNQADRNGNHSSEPSALASLSNFNYRTTTATTQMNTDIYQNPSVSYTQKFPTTYTLTPHPSYLGYDTRLHASIMNPMAIRQTGQSKLYSQGVIIPNPRYTSDHNVIFSTGTTQLPTLSNFHGVDYSMRRAQNDPSKTTYDNAVTTRTISGTQDDLGNTECTDSSQRENERKRSIFGTLGRMFKRPNPVNVTNSQNQVESTLKSVASSNQQPPLRFHSNQLTHPSCQYQVYNIPQSTSVHRSDERNRLANVVYSSQDSGFSNITHFNRLVYPNNFSQYHVQEGTSRYSPRPPSHHSYFGKAKSGIYSADVSANQEQSAIQQSAVSHTMNAQGPKQTLEDRQKSQKLLLEDAIRSNLPFTSWSSPILVSWLKLWVGMPAWYVAACEANIKSGAMLASLSEQDIQRELGIRNPLHRLKLRLAVHEMLAFTASLTGTTPNSTKNGETSTSMKQLHLASPLIKGELNHEWIGNVWLPSLGLARYRSSFMECLVDARMLSHLTKRDLRIHLKMVDQFHRLSLYYGIMCLKRLDYDRSEIERRREACQNSLNDLLVWSNDRVIAWLKSIGLNEYAKNLIDSGVHGALMVLDPDFDANSFALILQIPNSDVQMRHKLECELNRLLHPYRSVNQNTSVRPNDSIMNYDTAASWIASVERPEPAYYENQFETGDALGSDSSYRPSTQQHQRHGISRNIVPISESSNGAPPIPIRAQRNTERRYPTSTSQLTVNSQNQPPLNANLSRNLQYRNAGMCDDNYSFLHNEPSQLERRLKKN
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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
1M28.7Very low32.9Very low243 Ų243156.8 Ų156.8100%1.19785%0.85SS**  078.80-69.8179.2-78.200108.5
2I35.7Very low32.6Very low165 Ų165155.4 Ų155.485%0.84684%0.841SS**  trans-157.779.5164.8-132.2167.1000109.3
3C32.4Very low32.5Very low127 Ų127156 Ų15686%0.85884%0.841SS**  trans-145.580.1168.3-68.50000106.4
4D32.1Very low32.2Very low162 Ų162150.6 Ų150.687%0.86684%0.84SS**  trans-160.4155.3171.6-101.8-42.7000109.6
5V35.9Very low31.9Very low134 Ų134147.5 Ų147.581%0.81283%0.833SS**  trans65.582.4177.4-162.50000116.3
6M28Very low31.5Very low175 Ų175149.6 Ų149.686%0.86283%0.833SS**SBend-142.3151.3102-96-159.972.400109.6
7P45Very low31.4Very low107 Ų107145.1 Ų145.170%0.69583%0.829SS**PPolyproline II helixtrans-88.5139.8-145.532.1-36000115.1
8T33Very low31.2Very low126 Ų126144.8 Ų144.877%0.77383%0.825SS**PPolyproline II helixtrans-67.9141.4165.1-31.10000110.3
9I29.7Very low31Very low151 Ų151147.7 Ų147.777%0.77482%0.821SS**PPolyproline II helixtrans-86.3125.7168.7-61175.3000107.5
10N28.7Very low31Very low147 Ų147147.9 Ų147.979%0.78682%0.82SS**PPolyproline II helixtrans-81.1124.9177.2-70.5-0000110.5
11E33.1Very low31.3Very low188 Ų188146 Ų14688%0.87982%0.818SS**  trans-127.3100.7157.1-70.3-169.1178.300108.4
12D29.3Very low31.7Very low140 Ų140142.9 Ų142.975%0.74981%0.805SS**  trans-132.7105.9176.7-1606.3000109.8
13I30.5Very low31.9Very low163 Ų163139.2 Ų139.284%0.83679%0.79SS**  trans35106155.4-55.5172.3000117.4
14G28.8Very low32.4Very low80 Ų80136.2 Ų136.283%0.82577%0.77SS**  trans-153.292170.200000113.7
15S27.6Very low32.9Very low105 Ų105132.6 Ų132.673%0.73476%0.763SS**  trans-62.8144178.752.40000114.7
16Q25.8Very low33.5Very low180 Ų180131.2 Ų131.284%0.84175%0.751SS**  162.4113.4109.5-163.778.6-8.500113.8
17G29.5Very low34.3Very low74 Ų74126.2 Ų126.276%0.76374%0.744SS**  trans79.7155.6161.300000118
18D27.1Very low34.3Very low140 Ų140128.1 Ų128.175%0.74975%0.754SS**  cis-157.5146.9-7.7-159.522.6000112.1
19R28.6Very low35.2Very low199 Ų199128.4 Ų128.475%0.75175%0.751SS**  trans64105162.5-69.7165.5-175-124.8-12.6123.6
20D30.9Very low36.6Very low151 Ų151123.8 Ų123.881%0.80773%0.729SS**  54.2105.4114.8-50.1-29.8000123
21S36.5Very low38.4Very low110 Ų110124 Ų12477%0.76973%0.726SS**  -163.698.2128.767.50000115.9
22L37.2Very low40.2Very low176 Ų176120 Ų12092%0.92171%0.711SS**  trans62.7168.2155-78.187000121.2
23V40.6Very low42.2Very low88 Ų88116.1 Ų116.153%0.53369%0.688SS.*  trans-148.5161.1-152.5176.20000111.1C1168V23-C1168 HydrophobicContact CG1-CB 4.24Å; V23-C1168 VanDerWaalsContact CG1-SG 3.51Å
24S42.3Very low44.1Very low64 Ų64112.5 Ų112.545%0.44867%0.67SS.*  trans129.1112.4144.7-73.50000117.9C1168 Q1169 Y1170S24-C1168 WeakPolarHBondContact CA-O 3.3Å; S24-Q1169 CarbonylContact C-O 3.52Å; S24-Q1169 WeakPolarHBondContact CA-O 3.28Å; S24-Q1169 WeakPolarHBondContact CB-O 3.22Å; S24-Q1169 PolarHBondContact OG-O 3.05Å; S24-Y1170 WeakPolarHBondContact CB-O 3.29Å; S24-Y1170 PolarHBondContact OG-O 3.06Å
25A42.8Very low46.3Very low86 Ų86114 Ų11471%0.71166%0.659SS**  trans-173.9140152.600000113.2C1168 Q1169A25-C1168 PolarHBondContact N-O 3.25Å; A25-Q1169 PolarHBondContact N-O 2.9Å
26D48.1Very low48.5Very low106 Ų106109.2 Ų109.257%0.56763%0.625SS**  trans-108.8173.1-176.4-65.9-49.5000114.9Q1169 Y1170D26-Q1169 PolarHBondContact OD1-N 2.94Å; D26-Q1169 VanDerWaalsContact OD2-C 3.27Å; D26-Y1170 PolarHBondContact OD2-N 2.75Å
27G45.4Very low50.6Low70 Ų70104.4 Ų104.472%0.72260%0.604SS**  trans-148.9172.7-179.800000115.1
28T45.6Very low52.8Low147 Ų147105.1 Ų105.190%0.90259%0.59SS**  trans-103.6167.4-160.2460000117.1
29N51.8Low55.4Low132 Ų132102.2 Ų102.271%0.70658%0.575SS**  trans-100.7167.7-163.7-69.7-29.3000115.9
30V57.8Low57.8Low53 Ų5395.8 Ų95.832%0.32155%0.553SS.*SBendtrans-96.1-11.9-167.9164.80000114.8M33 L34 P1038V30-M33 PolarHBondContact O-N 3.34Å; V30-L34 HydrophobicContact CG1-CD1 4.23Å; V30-L34 HydrophobicContact CG1-CG 4.42Å; V30-L34 PolarHBondContact O-N 3.36Å; V30-P1038 HydrophobicContact CB-CB 4.44Å; V30-P1038 HydrophobicContact CG1-CB 4.19Å; V30-P1038 HydrophobicContact CG2-CB 4.21Å
31E67.2Low60Low152 Ų15294.3 Ų94.371%0.7154%0.536SS*.Hα-helixtrans-72.2-44-163-61.3-175.2139.700114.5M33 L34 L35E31-M33 PolarHBondContact O-N 3.14Å; E31-M33 VanDerWaalsContact O-N 3.08Å; E31-L34 PolarHBondContact O-N 3.3Å; E31-L35 PolarHBondContact O-N 3.42Å; E31-L35 VanDerWaalsContact O-N 3.16Å
32D71.8Confident62Low104 Ų10492.6 Ų92.656%0.55652%0.518SS*.Hα-helixtrans-53.3-33.7177.2-60.1-39.5000111.7S36D32-S36 WeakPolarHBondContact O-CB 3.42Å; D32-S36 PolarHBondContact O-N 3.14Å
33M71.4Confident64Low58 Ų5891.2 Ų91.229%0.28650%0.501SS..Hα-helixtrans-77.8-29.5-179.4-80.1140.4148.200113.6V30 E31 S36 M37 P1038 P1040V30-M33 PolarHBondContact O-N 3.34Å; E31-M33 PolarHBondContact O-N 3.14Å; E31-M33 VanDerWaalsContact O-N 3.08Å; M33-S36 CarbonylContact O-C 3.58Å; M33-S36 PolarHBondContact O-N 3.49Å; M33-M37 WeakPolarHBondContact O-CG 3.45Å; M33-M37 PolarHBondContact O-N 3.34Å; M33-P1038 VanDerWaalsContact CB-C 3.42Å; M33-P1038 VanDerWaalsContact CB-CA 3.42Å; M33-P1038 HydrophobicContact CB-CB 3.65Å; M33-P1038 HydrophobicContact CE-CB 4.46Å; M33-P1038 WeakPolarHBondContact CE-O 3.37Å; M33-P1038 VanDerWaalsContact CG-C 3.49Å; M33-P1038 HydrophobicContact CG-CB 3.96Å; M33-P1038 HydrophobicContact SD-CB 3.48Å; M33-P1038 WeakPolarHBondContact SD-CB 3.46Å; M33-P1038 HydrophobicContact SD-CG 4.17Å; M33-P1040 HydrophobicContact CB-CB 4.34Å; M33-P1040 HydrophobicContact CE-CG 3.69Å; M33-P1040 HydrophobicContact CG-CB 3.54Å; M33-P1040 HydrophobicContact CG-CG 3.45Å; M33-P1040 VanDerWaalsContact CG-CG 3.45Å; M33-P1040 HydrophobicContact SD-CG 4.35Å
34L70Confident65.8Low87 Ų8792.6 Ų92.646%0.45551%0.505SS..Hα-helixtrans-78.2-35.8173.8-71.3175.3000112.4V30 E31 S36 M37V30-L34 HydrophobicContact CG1-CD1 4.23Å; V30-L34 HydrophobicContact CG1-CG 4.42Å; V30-L34 PolarHBondContact O-N 3.36Å; E31-L34 PolarHBondContact O-N 3.3Å; L34-S36 VanDerWaalsContact C-N 3.28Å; L34-M37 PolarHBondContact O-N 3.08Å; L34-M37 VanDerWaalsContact O-N 3.1Å
35L75.4Confident67.3Low111 Ų11192.9 Ų92.958%0.58150%0.499SS*.Hα-helixtrans-54.3-52.5164.7-77.2163.8000109.4E31 M37 L38 R1041E31-L35 PolarHBondContact O-N 3.42Å; E31-L35 VanDerWaalsContact O-N 3.16Å; L35-M37 PolarHBondContact O-N 3.18Å; L35-L38 PolarHBondContact O-N 3.21Å; L35-R1041 PolarHBondContact O-NH1 3.42Å
36S73Confident68.6Low5 Ų592.6 Ų92.64%0.03548%0.484CS..THydrogen-bonded Turntrans-76.422.3176.7-154.60000114.3D32 M33 L34 P1040 R1041D32-S36 WeakPolarHBondContact O-CB 3.42Å; D32-S36 PolarHBondContact O-N 3.14Å; M33-S36 CarbonylContact O-C 3.58Å; M33-S36 PolarHBondContact O-N 3.49Å; L34-S36 VanDerWaalsContact C-N 3.28Å; S36-P1040 WeakPolarHBondContact OG-CA 3.48Å; S36-R1041 VanDerWaalsContact CA-NH1 3.32Å; S36-R1041 WeakPolarHBondContact O-CD 3.14Å; S36-R1041 PolarHBondContact O-NE 3.33Å; S36-R1041 PolarHBondContact O-NH1 3.43Å; S36-R1041 VanDerWaalsContact OG-C 3.32Å; S36-R1041 WeakPolarHBondContact OG-CA 3.42Å; S36-R1041 WeakPolarHBondContact OG-CD 3.43Å; S36-R1041 PolarHBondContact OG-N 3.38Å; S36-R1041 PolarHBondContact OG-O 2.98Å
37M70.2Confident69.9Low79 Ų7989.3 Ų89.339%0.38948%0.475SS..THydrogen-bonded Turntrans-115.6-0.5158.2-78.7-149.56800114M33 L34 L35 I1037 N1039 R1041M33-M37 WeakPolarHBondContact O-CG 3.45Å; M33-M37 PolarHBondContact O-N 3.34Å; L34-M37 PolarHBondContact O-N 3.08Å; L34-M37 VanDerWaalsContact O-N 3.1Å; L35-M37 PolarHBondContact O-N 3.18Å; M37-I1037 HydrophobicContact SD-CG2 3.89Å; M37-N1039 HydrophobicContact CG-CB 4.16Å; M37-N1039 WeakPolarHBondContact CG-O 3.39Å; M37-N1039 HydrophobicContact SD-CB 3.92Å; M37-R1041 PolarHBondContact O-NH2 3.2Å; M37-R1041 VanDerWaalsContact O-NH2 3.07Å
38L74.7Confident71Confident90 Ų9091.4 Ų91.447%0.47147%0.469SS..SBendtrans-91.3-82.8171.9-59.8177.3000112.6L35 E40 R41 R1041L35-L38 PolarHBondContact O-N 3.21Å; L38-E40 PolarHBondContact O-N 3.28Å; L38-E40 VanDerWaalsContact O-N 3.11Å; L38-R41 WeakPolarHBondContact O-CA 3.37Å; L38-R41 WeakPolarHBondContact O-CB 3.48Å; L38-R41 PolarHBondContact O-N 3.3Å; L38-R1041 VanDerWaalsContact N-NH1 3.17Å; L38-R1041 VanDerWaalsContact N-NH2 3.15Å; L38-R1041 PolarHBondContact O-NH2 3.06Å
39D81.5Confident72.2Confident79 Ų7991.2 Ų91.242%0.42245%0.452SS..Hα-helixtrans-19.8-67177.2-12.4-53.8000118.9R41 D42 R43 R1041D39-R41 PolarHBondContact O-N 2.57Å; D39-D42 CarbonylContact O-C 3.36Å; D39-D42 WeakPolarHBondContact O-CA 3.44Å; D39-D42 WeakPolarHBondContact O-CB 3.43Å; D39-D42 PolarHBondContact O-N 2.93Å; D39-R43 PolarHBondContact O-N 3Å; D39-R1041 VanDerWaalsContact CA-NH1 3.34Å; D39-R1041 VanDerWaalsContact CB-NH1 3.29Å; D39-R1041 IonicContact OD1-NH1 2.68Å; D39-R1041 IonicContact OD2-CZ 2.78Å; D39-R1041 IonicContact OD2-NH1 3.88Å; D39-R1041 PolarHBondContact OD2-NH1 3.18Å
40E79.2Confident73.3Confident63 Ų6390.3 Ų90.329%0.29444%0.443SS..Hα-helixtrans-57.7-27.9178.2-169.681.8176.200113.8L38 D42 R43 L44 R1041L38-E40 PolarHBondContact O-N 3.28Å; L38-E40 VanDerWaalsContact O-N 3.11Å; E40-D42 VanDerWaalsContact C-N 3.27Å; E40-D42 PolarHBondContact O-N 3.47Å; E40-R43 PolarHBondContact O-N 3.38Å; E40-R43 IonicContact OE1-NH1 3.16Å; E40-R43 WeakPolarHBondContact OE2-CD 3.21Å; E40-R43 IonicContact OE2-CZ 3.82Å; E40-R43 IonicContact OE2-NE 3.81Å; E40-R43 IonicContact OE2-NH1 2.77Å; E40-R43 PolarHBondContact OE2-NH1 3.3Å; E40-L44 HydrophobicContact CG-CD1 4.3Å; E40-L44 HydrophobicContact CG-CG 4.47Å; E40-L44 VanDerWaalsContact O-CB 3.32Å; E40-L44 WeakPolarHBondContact O-CB 3.34Å; E40-L44 WeakPolarHBondContact O-CG 3.37Å; E40-L44 PolarHBondContact O-N 3.19Å; E40-R1041 HydrophobicContact CB-CG 3.77Å; E40-R1041 VanDerWaalsContact CB-CZ 3.44Å; E40-R1041 HydrophobicContact CG-CG 4.28Å
41R77.9Confident73.9Confident121 Ų12190.8 Ų90.846%0.45745%0.449SS..Hα-helixtrans-61.4-42.8169.5-174.8-156.668.8-169.2-6.8109.7L38 D39 L44 M45L38-R41 WeakPolarHBondContact O-CA 3.37Å; L38-R41 WeakPolarHBondContact O-CB 3.48Å; L38-R41 PolarHBondContact O-N 3.3Å; D39-R41 PolarHBondContact O-N 2.57Å; R41-L44 PolarHBondContact O-N 3.03Å; R41-M45 WeakPolarHBondContact O-CG 3.41Å; R41-M45 PolarHBondContact O-N 3.18Å
42D77.8Confident73.7Confident74 Ų7488 Ų8840%0.39644%0.435SS..Hα-helixtrans-76.5-32.3-178.2-59.9-21.1000110.7D39 E40 M45 E46D39-D42 CarbonylContact O-C 3.36Å; D39-D42 WeakPolarHBondContact O-CA 3.44Å; D39-D42 WeakPolarHBondContact O-CB 3.43Å; D39-D42 PolarHBondContact O-N 2.93Å; E40-D42 VanDerWaalsContact C-N 3.27Å; E40-D42 PolarHBondContact O-N 3.47Å; D42-M45 WeakPolarHBondContact O-CB 3.2Å; D42-M45 PolarHBondContact O-N 3.05Å; D42-E46 PolarHBondContact O-N 3.49Å
43R79.4Confident74Confident147 Ų14789.5 Ų89.556%0.55544%0.439SS*.Hα-helixtrans-61.3-43167.2-161.8-172-170.4-172.41112.8D39 E40 E46 G47D39-R43 PolarHBondContact O-N 3Å; E40-R43 PolarHBondContact O-N 3.38Å; E40-R43 IonicContact OE1-NH1 3.16Å; E40-R43 WeakPolarHBondContact OE2-CD 3.21Å; E40-R43 IonicContact OE2-CZ 3.82Å; E40-R43 IonicContact OE2-NE 3.81Å; E40-R43 IonicContact OE2-NH1 2.77Å; E40-R43 PolarHBondContact OE2-NH1 3.3Å; R43-E46 PolarHBondContact O-N 3.45Å; R43-G47 PolarHBondContact O-N 3.11Å
44L79.2Confident74Confident117 Ų11792.9 Ų92.961%0.61345%0.454SS*.Hα-helixtrans-69.7-32.7175.3-73.2167.5000112E40 R41 L48E40-L44 HydrophobicContact CG-CD1 4.3Å; E40-L44 HydrophobicContact CG-CG 4.47Å; E40-L44 VanDerWaalsContact O-CB 3.32Å; E40-L44 WeakPolarHBondContact O-CB 3.34Å; E40-L44 WeakPolarHBondContact O-CG 3.37Å; E40-L44 PolarHBondContact O-N 3.19Å; R41-L44 PolarHBondContact O-N 3.03Å; L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 PolarHBondContact O-N 3.46Å; L44-L48 VanDerWaalsContact O-N 3.13Å
45M72.2Confident74Confident69 Ų6991.2 Ų91.234%0.3445%0.448SS..Hα-helixtrans-65.8-44171.8-74.4-62.9-4700111.8R41 D42 L48 R49R41-M45 WeakPolarHBondContact O-CG 3.41Å; R41-M45 PolarHBondContact O-N 3.18Å; D42-M45 WeakPolarHBondContact O-CB 3.2Å; D42-M45 PolarHBondContact O-N 3.05Å; M45-L48 PolarHBondContact O-N 3.19Å; M45-R49 PolarHBondContact O-N 2.98Å; M45-R49 VanDerWaalsContact O-N 3.13Å
46E71.1Confident73.9Confident81 Ų8189.8 Ų89.838%0.37944%0.441SS..Hα-helixtrans-68-44.7179.2-163.460.5-131.300111.7D42 R43 L48 R49 E50D42-E46 PolarHBondContact O-N 3.49Å; R43-E46 PolarHBondContact O-N 3.45Å; E46-L48 PolarHBondContact O-N 3.12Å; E46-R49 WeakPolarHBondContact O-CA 3.24Å; E46-R49 VanDerWaalsContact O-CB 3.31Å; E46-R49 WeakPolarHBondContact O-CB 3.48Å; E46-R49 PolarHBondContact O-N 3.17Å; E46-R49 IonicContact OE1-CZ 2.77Å; E46-R49 IonicContact OE1-NE 3.44Å; E46-R49 PolarHBondContact OE1-NE 2.92Å; E46-R49 IonicContact OE1-NH2 2.74Å; E46-R49 PolarHBondContact OE1-NH2 2.99Å; E46-R49 IonicContact OE2-NE 2.68Å; E46-R49 IonicContact OE2-NH2 3.42Å; E46-E50 PolarHBondContact O-N 3.39Å
47G75.4Confident73.9Confident37 Ų3794 Ų9438%0.38146%0.46SS..Hα-helixtrans-61.2-30.9175.500000113.7R43 S51R43-G47 PolarHBondContact O-N 3.11Å; G47-S51 VanDerWaalsContact O-CB 3.3Å; G47-S51 WeakPolarHBondContact O-CB 3.34Å; G47-S51 PolarHBondContact O-N 3.35Å; G47-S51 VanDerWaalsContact O-N 3.12Å
48L68Low73.9Confident113 Ų11394.1 Ų94.159%0.59247%0.465SS*.Hα-helixtrans-69.2-35.5171.2-177.662.2000112L44 M45 E46 Q52L44-L48 WeakPolarHBondContact O-CB 3.47Å; L44-L48 PolarHBondContact O-N 3.46Å; L44-L48 VanDerWaalsContact O-N 3.13Å; M45-L48 PolarHBondContact O-N 3.19Å; E46-L48 PolarHBondContact O-N 3.12Å; L48-Q52 WeakPolarHBondContact O-CB 3.46Å; L48-Q52 PolarHBondContact O-N 3.49Å; L48-Q52 VanDerWaalsContact O-N 3.1Å
49R71.2Confident73.7Confident144 Ų14497.4 Ų97.454%0.54347%0.471SS..Hα-helixtrans-69-48.1178-160.6173.374.7106.15.6111.6M45 E46 S51 Q52 E53M45-R49 PolarHBondContact O-N 2.98Å; M45-R49 VanDerWaalsContact O-N 3.13Å; E46-R49 WeakPolarHBondContact O-CA 3.24Å; E46-R49 VanDerWaalsContact O-CB 3.31Å; E46-R49 WeakPolarHBondContact O-CB 3.48Å; E46-R49 PolarHBondContact O-N 3.17Å; E46-R49 IonicContact OE1-CZ 2.77Å; E46-R49 IonicContact OE1-NE 3.44Å; E46-R49 PolarHBondContact OE1-NE 2.92Å; E46-R49 IonicContact OE1-NH2 2.74Å; E46-R49 PolarHBondContact OE1-NH2 2.99Å; E46-R49 IonicContact OE2-NE 2.68Å; E46-R49 IonicContact OE2-NH2 3.42Å; R49-S51 VanDerWaalsContact C-N 3.34Å; R49-S51 PolarHBondContact O-N 2.99Å; R49-Q52 PolarHBondContact O-N 3.38Å; R49-E53 PolarHBondContact O-N 3.35Å; R49-E53 VanDerWaalsContact O-N 3.1Å
50E75.4Confident73.2Confident112 Ų11298.1 Ų98.152%0.52348%0.479SS..Hα-helixtrans-59-43.1174.3-67.6-176.4162.400111.9E46 Q52 E53 Q54E46-E50 PolarHBondContact O-N 3.39Å; E50-Q52 PolarHBondContact O-N 3.41Å; E50-E53 PolarHBondContact O-N 2.97Å; E50-Q54 PolarHBondContact O-N 3.44Å
51S69.8Low72.5Confident63 Ų63101.4 Ų101.444%0.44149%0.488SS..Hα-helixtrans-61.6-42.5177.5-173.20000112.2G47 R49 E53 Q54 V55G47-S51 VanDerWaalsContact O-CB 3.3Å; G47-S51 WeakPolarHBondContact O-CB 3.34Å; G47-S51 PolarHBondContact O-N 3.35Å; G47-S51 VanDerWaalsContact O-N 3.12Å; R49-S51 VanDerWaalsContact C-N 3.34Å; R49-S51 PolarHBondContact O-N 2.99Å; S51-E53 VanDerWaalsContact C-N 3.33Å; S51-E53 PolarHBondContact O-N 3.49Å; S51-Q54 PolarHBondContact O-N 3.49Å; S51-V55 WeakPolarHBondContact O-CB 3.35Å; S51-V55 VanDerWaalsContact O-CG2 3.31Å; S51-V55 WeakPolarHBondContact O-CG2 3.47Å; S51-V55 PolarHBondContact O-N 3.14Å
52Q63.1Low71.9Confident93 Ų93100.7 Ų100.744%0.43549%0.493SS..Hα-helixtrans-66.2-33.3177.3-175.268.9-4.500112.4L48 R49 E50 N56L48-Q52 WeakPolarHBondContact O-CB 3.46Å; L48-Q52 PolarHBondContact O-N 3.49Å; L48-Q52 VanDerWaalsContact O-N 3.1Å; R49-Q52 PolarHBondContact O-N 3.38Å; E50-Q52 PolarHBondContact O-N 3.41Å; Q52-N56 PolarHBondContact O-N 3.06Å; Q52-N56 PolarHBondContact O-ND2 3.49Å
53E78.1Confident71.7Confident136 Ų136101 Ų10164%0.63650%0.501SS*.Hα-helixtrans-68.5-45.8175.2-170.8159.9-157.300111.7R49 E50 S51 V55 N56 E57R49-E53 PolarHBondContact O-N 3.35Å; R49-E53 VanDerWaalsContact O-N 3.1Å; E50-E53 PolarHBondContact O-N 2.97Å; S51-E53 VanDerWaalsContact C-N 3.33Å; S51-E53 PolarHBondContact O-N 3.49Å; E53-V55 VanDerWaalsContact C-N 3.3Å; E53-V55 PolarHBondContact O-N 3.13Å; E53-N56 PolarHBondContact O-N 3.4Å; E53-E57 PolarHBondContact O-N 3.46Å
54Q71.3Confident71.5Confident129 Ų12998.9 Ų98.960%0.60350%0.497SS*.Hα-helixtrans-60.4-37.3173.8-67.3-178.721.400112.7E50 S51 N56 E57 T58E50-Q54 PolarHBondContact O-N 3.44Å; S51-Q54 PolarHBondContact O-N 3.49Å; Q54-N56 VanDerWaalsContact C-N 3.27Å; Q54-N56 PolarHBondContact O-N 3.12Å; Q54-E57 PolarHBondContact O-N 3.43Å; Q54-T58 WeakPolarHBondContact O-CB 3.44Å; Q54-T58 WeakPolarHBondContact O-CG2 3.48Å; Q54-T58 PolarHBondContact O-N 3.22Å; Q54-T58 PolarHBondContact O-OG1 2.95Å
55V70.1Confident70.6Confident52 Ų5297.5 Ų97.532%0.31549%0.494SS..Hα-helixtrans-66.6-26.9175.6164.70000112.4S51 E53 T58 R59S51-V55 WeakPolarHBondContact O-CB 3.35Å; S51-V55 VanDerWaalsContact O-CG2 3.31Å; S51-V55 WeakPolarHBondContact O-CG2 3.47Å; S51-V55 PolarHBondContact O-N 3.14Å; E53-V55 VanDerWaalsContact C-N 3.3Å; E53-V55 PolarHBondContact O-N 3.13Å; V55-T58 WeakPolarHBondContact CA-OG1 3.42Å; V55-T58 PolarHBondContact O-OG1 3.49Å; V55-R59 VanDerWaalsContact CG1-NH1 3.32Å; V55-R59 WeakPolarHBondContact O-CG 3.36Å
56N72.7Confident70.6Confident81 Ų8198.2 Ų98.243%0.43350%0.496SS..Hα-helixtrans-81.4-41.3174.2-70.2-29.1000112Q52 E53 Q54 R59 T60Q52-N56 PolarHBondContact O-N 3.06Å; Q52-N56 PolarHBondContact O-ND2 3.49Å; E53-N56 PolarHBondContact O-N 3.4Å; Q54-N56 VanDerWaalsContact C-N 3.27Å; Q54-N56 PolarHBondContact O-N 3.12Å; N56-R59 PolarHBondContact O-N 3.24Å; N56-T60 PolarHBondContact O-N 3.45Å
57E74.5Confident70.9Confident95 Ų95100.6 Ų100.644%0.44450%0.502SS..Hα-helixtrans-66.3-37.8177.2-157.8-161.3-174.100112.4E53 Q54 R59 T60 R61E53-E57 PolarHBondContact O-N 3.46Å; Q54-E57 PolarHBondContact O-N 3.43Å; E57-R59 VanDerWaalsContact C-N 3.31Å; E57-R59 PolarHBondContact O-N 2.98Å; E57-T60 PolarHBondContact O-N 3.42Å; E57-T60 PolarHBondContact O-OG1 3.43Å; E57-R61 WeakPolarHBondContact O-CG 3.43Å; E57-R61 PolarHBondContact O-N 2.96Å; E57-R61 VanDerWaalsContact O-N 3.09Å; E57-R61 IonicContact OE1-CZ 3.61Å; E57-R61 IonicContact OE1-NE 3.93Å; E57-R61 PolarHBondContact OE1-NE 2.8Å; E57-R61 IonicContact OE1-NH2 2.68Å; E57-R61 PolarHBondContact OE1-NH2 3Å; E57-R61 IonicContact OE2-CZ 3.65Å; E57-R61 IonicContact OE2-NE 3.91Å; E57-R61 IonicContact OE2-NH2 2.74Å; E57-R61 PolarHBondContact OE2-NH2 2.67Å
58T68.8Low70.4Confident81 Ų81103.8 Ų103.850%0.49751%0.507SS..Hα-helixtrans-65.7-32.5175.147.10000112.6Q54 V55 L62Q54-T58 WeakPolarHBondContact O-CB 3.44Å; Q54-T58 WeakPolarHBondContact O-CG2 3.48Å; Q54-T58 PolarHBondContact O-N 3.22Å; Q54-T58 PolarHBondContact O-OG1 2.95Å; V55-T58 WeakPolarHBondContact CA-OG1 3.42Å; V55-T58 PolarHBondContact O-OG1 3.49Å; T58-L62 WeakPolarHBondContact O-CB 3.45Å; T58-L62 PolarHBondContact O-N 2.88Å
59R70.7Confident70.3Confident159 Ų159103.5 Ų103.560%0.650%0.497SS*.Hα-helixtrans-67.2-41.9173.3-80.8-178176.4119.94.2113.1V55 N56 E57 L62 S63V55-R59 VanDerWaalsContact CG1-NH1 3.32Å; V55-R59 WeakPolarHBondContact O-CG 3.36Å; N56-R59 PolarHBondContact O-N 3.24Å; E57-R59 VanDerWaalsContact C-N 3.31Å; E57-R59 PolarHBondContact O-N 2.98Å; R59-L62 PolarHBondContact O-N 3.44Å; R59-S63 PolarHBondContact O-N 3.05Å
60T71.3Confident70.5Confident94 Ų94100.5 Ų100.558%0.57749%0.492SS*.Hα-helixtrans-67.9-43178.553.30000111.3N56 E57 L62 S63 E64N56-T60 PolarHBondContact O-N 3.45Å; E57-T60 PolarHBondContact O-N 3.42Å; E57-T60 PolarHBondContact O-OG1 3.43Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 2.96Å; T60-S63 PolarHBondContact O-N 3.38Å; T60-E64 PolarHBondContact O-N 3.05Å
61R65.2Low70.5Confident132 Ų132100 Ų10050%0.49849%0.489SS..Hα-helixtrans-59.5-39.8174.1-68176.3-175.1-171.85112.7E57 E64 V65E57-R61 WeakPolarHBondContact O-CG 3.43Å; E57-R61 PolarHBondContact O-N 2.96Å; E57-R61 VanDerWaalsContact O-N 3.09Å; E57-R61 IonicContact OE1-CZ 3.61Å; E57-R61 IonicContact OE1-NE 3.93Å; E57-R61 PolarHBondContact OE1-NE 2.8Å; E57-R61 IonicContact OE1-NH2 2.68Å; E57-R61 PolarHBondContact OE1-NH2 3Å; E57-R61 IonicContact OE2-CZ 3.65Å; E57-R61 IonicContact OE2-NE 3.91Å; E57-R61 IonicContact OE2-NH2 2.74Å; E57-R61 PolarHBondContact OE2-NH2 2.67Å; R61-E64 PolarHBondContact O-N 3.33Å; R61-V65 WeakPolarHBondContact O-CG2 3.46Å; R61-V65 PolarHBondContact O-N 2.89Å
62L65.1Low69.9Low105 Ų105101.1 Ų101.155%0.5549%0.489SS..Hα-helixtrans-60.5-48.1177.1178.661.6000112T58 R59 T60 E64 V65 E66T58-L62 WeakPolarHBondContact O-CB 3.45Å; T58-L62 PolarHBondContact O-N 2.88Å; R59-L62 PolarHBondContact O-N 3.44Å; T60-L62 VanDerWaalsContact C-N 3.34Å; T60-L62 PolarHBondContact O-N 2.96Å; L62-E64 VanDerWaalsContact C-N 3.26Å; L62-E64 PolarHBondContact O-N 2.93Å; L62-V65 PolarHBondContact O-N 3.35Å; L62-V65 VanDerWaalsContact O-N 3.13Å; L62-E66 HydrophobicContact CD1-CG 4.45Å; L62-E66 PolarHBondContact O-N 3.38Å
63S73.4Confident70.1Confident80 Ų80102.7 Ų102.756%0.55950%0.496SS*.Hα-helixtrans-62.1-32.9-179.1-172.20000112.8R59 T60 R67R59-S63 PolarHBondContact O-N 3.05Å; T60-S63 PolarHBondContact O-N 3.38Å; S63-R67 PolarHBondContact O-N 3.5Å
64E74Confident69.7Low104 Ų10499.1 Ų99.149%0.48649%0.49SS..Hα-helixtrans-66.8-45.3172.9179.9137.1-114.900112.3T60 R61 L62 E66 R67 E68T60-E64 PolarHBondContact O-N 3.05Å; R61-E64 PolarHBondContact O-N 3.33Å; L62-E64 VanDerWaalsContact C-N 3.26Å; L62-E64 PolarHBondContact O-N 2.93Å; E64-E66 VanDerWaalsContact C-N 3.35Å; E64-E66 PolarHBondContact O-N 3.43Å; E64-R67 WeakPolarHBondContact O-CB 3.43Å; E64-R67 PolarHBondContact O-N 3.01Å; E64-R67 IonicContact OE1-CZ 3.15Å; E64-R67 IonicContact OE1-NH2 3.6Å; E64-R67 PolarHBondContact OE1-NH2 2.9Å; E64-E68 PolarHBondContact O-N 3.32Å
65V60.6Low69.6Low88 Ų8898.3 Ų98.353%0.53349%0.486SS..Hα-helixtrans-63.8-37.6179.2172.80000112.2R61 L62 E68 R69R61-V65 WeakPolarHBondContact O-CG2 3.46Å; R61-V65 PolarHBondContact O-N 2.89Å; L62-V65 PolarHBondContact O-N 3.35Å; L62-V65 VanDerWaalsContact O-N 3.13Å; V65-E68 PolarHBondContact O-N 3.32Å; V65-R69 PolarHBondContact O-N 2.91Å
66E72.4Confident68.8Low84 Ų84100.6 Ų100.639%0.39350%0.496SS..Hα-helixtrans-63.5-41.5174.4-65.7-164.710400112.1L62 E64 E68 R69 D70L62-E66 HydrophobicContact CD1-CG 4.45Å; L62-E66 PolarHBondContact O-N 3.38Å; E64-E66 VanDerWaalsContact C-N 3.35Å; E64-E66 PolarHBondContact O-N 3.43Å; E66-E68 VanDerWaalsContact C-N 3.25Å; E66-E68 PolarHBondContact O-N 2.91Å; E66-R69 WeakPolarHBondContact O-CB 3.35Å; E66-R69 PolarHBondContact O-N 3.48Å; E66-R69 IonicContact OE1-NH1 2.78Å; E66-R69 PolarHBondContact OE1-NH1 3Å; E66-R69 VanDerWaalsContact OE1-NH1 3.11Å; E66-D70 PolarHBondContact O-N 2.83Å; E66-D70 VanDerWaalsContact O-N 3.16Å
67R77.2Confident68.6Low131 Ų131100.7 Ų100.749%0.49450%0.503SS..Hα-helixtrans-63.5-28.9174.5-174.2-173.469.4138.1-1.5112.6S63 E64 K71S63-R67 PolarHBondContact O-N 3.5Å; E64-R67 WeakPolarHBondContact O-CB 3.43Å; E64-R67 PolarHBondContact O-N 3.01Å; E64-R67 IonicContact OE1-CZ 3.15Å; E64-R67 IonicContact OE1-NH2 3.6Å; E64-R67 PolarHBondContact OE1-NH2 2.9Å; R67-K71 WeakPolarHBondContact O-CD 3.41Å; R67-K71 WeakPolarHBondContact O-CG 3.45Å
68E65Low68.5Low104 Ų104100.4 Ų100.449%0.48652%0.516SS..Hα-helixtrans-78.1-41.6172.9-65.7-154.7140.500113.1E64 V65 E66 D70 K71 L72E64-E68 PolarHBondContact O-N 3.32Å; V65-E68 PolarHBondContact O-N 3.32Å; E66-E68 VanDerWaalsContact C-N 3.25Å; E66-E68 PolarHBondContact O-N 2.91Å; E68-D70 PolarHBondContact O-N 3.21Å; E68-K71 PolarHBondContact O-N 3.06Å; E68-L72 WeakPolarHBondContact O-CG 3.29Å; E68-L72 PolarHBondContact O-N 2.74Å
69R66.1Low68.6Low106 Ų106104.6 Ų104.640%0.453%0.528SS..Hα-helixtrans-49.8-48.1172.9176.4-161.170.8-145.9-6.3110.9V65 E66 L72 H73V65-R69 PolarHBondContact O-N 2.91Å; E66-R69 WeakPolarHBondContact O-CB 3.35Å; E66-R69 PolarHBondContact O-N 3.48Å; E66-R69 IonicContact OE1-NH1 2.78Å; E66-R69 PolarHBondContact OE1-NH1 3Å; E66-R69 VanDerWaalsContact OE1-NH1 3.11Å; R69-L72 PolarHBondContact O-N 3.3Å; R69-H73 WeakPolarHBondContact O-CB 3.37Å; R69-H73 PolarHBondContact O-N 3.05Å
70D75.9Confident68.2Low82 Ų82101.4 Ų101.444%0.43952%0.521SS..Hα-helixtrans-74-34.2-173.1-64.8-18.5000112.5E66 E68 H73 A74E66-D70 PolarHBondContact O-N 2.83Å; E66-D70 VanDerWaalsContact O-N 3.16Å; E68-D70 PolarHBondContact O-N 3.21Å; D70-H73 PolarHBondContact O-N 2.98Å; D70-A74 WeakPolarHBondContact O-CB 3.34Å; D70-A74 PolarHBondContact O-N 3.49Å
71K75.4Confident68Low102 Ų102100.3 Ų100.344%0.44352%0.515SS..Hα-helixtrans-59.6-45.5168.3-71.6167.5-177.1172.20111.6R67 E68 Q75R67-K71 WeakPolarHBondContact O-CD 3.41Å; R67-K71 WeakPolarHBondContact O-CG 3.45Å; E68-K71 PolarHBondContact O-N 3.06Å; K71-Q75 WeakPolarHBondContact O-CG 3.4Å; K71-Q75 PolarHBondContact O-N 2.98Å; K71-Q75 VanDerWaalsContact O-N 3.1Å
72L56.8Low68.2Low86 Ų86100.8 Ų100.845%0.4552%0.523SS..Hα-helixtrans-67.7-37.9178.8-69.8172.8000112E68 R69 Q75 L76E68-L72 WeakPolarHBondContact O-CG 3.29Å; E68-L72 PolarHBondContact O-N 2.74Å; R69-L72 PolarHBondContact O-N 3.3Å; L72-Q75 PolarHBondContact O-N 2.98Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 PolarHBondContact O-N 3.47Å
73H66.7Low68.4Low126 Ų12699.9 Ų99.958%0.58352%0.519SS*.Hα-helixtrans-66.1-43.3177.6-162.982.7000111.9R69 D70 Q75 L76 S77R69-H73 WeakPolarHBondContact O-CB 3.37Å; R69-H73 PolarHBondContact O-N 3.05Å; D70-H73 PolarHBondContact O-N 2.98Å; H73-Q75 PolarHBondContact O-N 3.48Å; H73-L76 PolarHBondContact O-N 2.87Å; H73-S77 PolarHBondContact O-N 2.96Å
74A70.3Confident68.1Low60 Ų6098.3 Ų98.350%0.49651%0.506SS..Hα-helixtrans-60.2-43.2173.300000112.1D70 L76 S77 A78D70-A74 WeakPolarHBondContact O-CB 3.34Å; D70-A74 PolarHBondContact O-N 3.49Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-L76 PolarHBondContact O-N 3.03Å; A74-S77 PolarHBondContact O-N 3.47Å; A74-A78 WeakPolarHBondContact O-CB 3.5Å; A74-A78 PolarHBondContact O-N 3.31Å
75Q68.9Low68Low112 Ų11296 Ų9652%0.52350%0.499SS..Hα-helixtrans-65-32.5175.7-73.2178.831.700113.7K71 L72 H73 K79K71-Q75 WeakPolarHBondContact O-CG 3.4Å; K71-Q75 PolarHBondContact O-N 2.98Å; K71-Q75 VanDerWaalsContact O-N 3.1Å; L72-Q75 PolarHBondContact O-N 2.98Å; H73-Q75 PolarHBondContact O-N 3.48Å; Q75-K79 WeakPolarHBondContact O-CG 3.49Å
76L54.3Low68.8Low101 Ų10196.7 Ų96.753%0.52950%0.496SS..Hα-helixtrans-72.9-45.6176.4-171.771.9000111.1L72 H73 A74 A78 K79 M80L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 PolarHBondContact O-N 3.47Å; H73-L76 PolarHBondContact O-N 2.87Å; A74-L76 VanDerWaalsContact C-N 3.33Å; A74-L76 PolarHBondContact O-N 3.03Å; L76-A78 VanDerWaalsContact C-N 3.34Å; L76-A78 PolarHBondContact O-N 3.31Å; L76-K79 PolarHBondContact O-N 2.84Å; L76-K79 VanDerWaalsContact O-N 3.12Å; L76-M80 PolarHBondContact O-N 2.6Å
77S68.1Low68.5Low83 Ų8394.7 Ų94.758%0.5849%0.487SS*.Hα-helixtrans-58-45.9176.4-179.90000111.4H73 A74 K79 M80H73-S77 PolarHBondContact O-N 2.96Å; A74-S77 PolarHBondContact O-N 3.47Å; S77-K79 PolarHBondContact O-N 2.8Å; S77-M80 PolarHBondContact O-N 2.75Å
78A71.5Confident68.4Low88 Ų8890.1 Ų90.173%0.72748%0.476SS*.THydrogen-bonded Turntrans-66.3-3.9177.600000115.4A74 L76A74-A78 WeakPolarHBondContact O-CB 3.5Å; A74-A78 PolarHBondContact O-N 3.31Å; L76-A78 VanDerWaalsContact C-N 3.34Å; L76-A78 PolarHBondContact O-N 3.31Å
79K71.9Confident69.2Low170 Ų17091.1 Ų91.174%0.73948%0.478SS*.THydrogen-bonded Turntrans-116.63.8179.1-71.9-179.4178.2178.90113.9Q75 L76 S77Q75-K79 WeakPolarHBondContact O-CG 3.49Å; L76-K79 PolarHBondContact O-N 2.84Å; L76-K79 VanDerWaalsContact O-N 3.12Å; S77-K79 PolarHBondContact O-N 2.8Å
80M61.3Low69.9Low91 Ų9190.4 Ų90.445%0.44848%0.478SS..SBendtrans-79.1130.1177.5-82-77-68.700111.7L76 S77 V84 V85L76-M80 PolarHBondContact O-N 2.6Å; S77-M80 PolarHBondContact O-N 2.75Å; M80-V84 HydrophobicContact CE-CG1 3.96Å; M80-V85 HydrophobicContact CB-CG2 4.1Å; M80-V85 HydrophobicContact CE-CG2 4.29Å
81P68.6Low70Confident71 Ų7187.5 Ų87.546%0.46146%0.462SS..  trans-62.9136.5171.8-24.635.9000112.9D83 V84 V85P81-D83 WeakPolarHBondContact CB-OD1 3.45Å; P81-D83 PolarHBondContact O-N 2.95Å; P81-V84 HydrophobicContact CB-CB 4.39Å; P81-V84 HydrophobicContact CB-CG2 4.09Å; P81-V84 HydrophobicContact CG-CG2 4.49Å; P81-V84 WeakPolarHBondContact O-CB 3.48Å; P81-V84 PolarHBondContact O-N 3.5Å; P81-V85 WeakPolarHBondContact O-CG2 3.35Å; P81-V85 PolarHBondContact O-N 2.96Å; P81-V85 VanDerWaalsContact O-N 3.08Å
82Q68.2Low70.3Confident142 Ų14286.2 Ų86.266%0.66446%0.463SS*.Hα-helixtrans-68.6-31.1-171.2-171.86418.500113.5V85 E86Q82-V85 WeakPolarHBondContact O-CB 3.48Å; Q82-V85 PolarHBondContact O-N 3.33Å; Q82-E86 PolarHBondContact O-N 2.9Å
83D69.7Low71.8Confident87 Ų8785.9 Ų85.947%0.46546%0.46SS..Hα-helixtrans-64.8-4117365.6-51.2000111.4P81 V85 E86 M87P81-D83 WeakPolarHBondContact CB-OD1 3.45Å; P81-D83 PolarHBondContact O-N 2.95Å; D83-V85 VanDerWaalsContact C-N 3.29Å; D83-V85 PolarHBondContact O-N 3.45Å; D83-E86 PolarHBondContact O-N 2.9Å; D83-M87 VanDerWaalsContact O-CB 3.32Å; D83-M87 WeakPolarHBondContact O-CB 3.43Å; D83-M87 WeakPolarHBondContact O-CG 3.34Å; D83-M87 PolarHBondContact O-N 2.96Å
84V68Low72.8Confident46 Ų4680.3 Ų80.328%0.27943%0.434SS..Hα-helixtrans-67.2-32.2174.1-1800000110.8M80 P81 S88M80-V84 HydrophobicContact CE-CG1 3.96Å; P81-V84 HydrophobicContact CB-CB 4.39Å; P81-V84 HydrophobicContact CB-CG2 4.09Å; P81-V84 HydrophobicContact CG-CG2 4.49Å; P81-V84 WeakPolarHBondContact O-CB 3.48Å; P81-V84 PolarHBondContact O-N 3.5Å; V84-S88 VanDerWaalsContact O-CB 3.24Å; V84-S88 WeakPolarHBondContact O-CB 3.25Å; V84-S88 PolarHBondContact O-N 3.3Å; V84-S88 PolarHBondContact O-OG 2.96Å
85V72.2Confident73.6Confident57 Ų5780.3 Ų80.335%0.34542%0.424SS..Hα-helixtrans-68-49.2172.4174.60000111.1M80 P81 Q82 D83 S88 K89M80-V85 HydrophobicContact CB-CG2 4.1Å; M80-V85 HydrophobicContact CE-CG2 4.29Å; P81-V85 WeakPolarHBondContact O-CG2 3.35Å; P81-V85 PolarHBondContact O-N 2.96Å; P81-V85 VanDerWaalsContact O-N 3.08Å; Q82-V85 WeakPolarHBondContact O-CB 3.48Å; Q82-V85 PolarHBondContact O-N 3.33Å; D83-V85 VanDerWaalsContact C-N 3.29Å; D83-V85 PolarHBondContact O-N 3.45Å; V85-S88 CarbonylContact O-C 3.5Å; V85-S88 WeakPolarHBondContact O-CA 3.44Å; V85-S88 WeakPolarHBondContact O-CB 3.34Å; V85-S88 PolarHBondContact O-N 3.33Å; V85-S88 VanDerWaalsContact O-N 3.09Å; V85-K89 PolarHBondContact O-N 3.45Å
86E75.6Confident74.6Confident102 Ų10281.1 Ų81.148%0.47743%0.428SS..Hα-helixtrans-64.7-44.9179.6-167.8-174.1146.200112.2Q82 D83 S88 K89 K90Q82-E86 PolarHBondContact O-N 2.9Å; D83-E86 PolarHBondContact O-N 2.9Å; E86-S88 PolarHBondContact O-N 3.36Å; E86-K89 PolarHBondContact O-N 2.98Å; E86-K89 VanDerWaalsContact O-N 3.08Å; E86-K90 PolarHBondContact O-N 3.1Å; E86-K90 WeakPolarHBondContact OE1-CE 3.47Å; E86-K90 IonicContact OE1-NZ 2.79Å; E86-K90 PolarHBondContact OE1-NZ 3.41Å
87M67Low76.3Confident41 Ų4179.8 Ų79.820%0.20242%0.419CS..Hα-helixtrans-64.4-23.4173-74.3-61.2-61.700112.7D83 L91 L239 S242 K243D83-M87 VanDerWaalsContact O-CB 3.32Å; D83-M87 WeakPolarHBondContact O-CB 3.43Å; D83-M87 WeakPolarHBondContact O-CG 3.34Å; D83-M87 PolarHBondContact O-N 2.96Å; M87-L91 VanDerWaalsContact O-CB 3.26Å; M87-L91 WeakPolarHBondContact O-CB 3.41Å; M87-L91 PolarHBondContact O-N 3.4Å; M87-L239 HydrophobicContact CE-CD2 4.02Å; M87-S242 VanDerWaalsContact CE-OG 3.31Å; M87-S242 WeakPolarHBondContact CE-OG 3.45Å; M87-K243 HydrophobicContact CE-CB 4.42Å
88S74.9Confident77.3Confident36 Ų3677.1 Ų77.125%0.25240%0.398SS..Hα-helixtrans-77.5-37.6170-60.50000112V84 V85 E86 L91 T92 K243V84-S88 VanDerWaalsContact O-CB 3.24Å; V84-S88 WeakPolarHBondContact O-CB 3.25Å; V84-S88 PolarHBondContact O-N 3.3Å; V84-S88 PolarHBondContact O-OG 2.96Å; V85-S88 CarbonylContact O-C 3.5Å; V85-S88 WeakPolarHBondContact O-CA 3.44Å; V85-S88 WeakPolarHBondContact O-CB 3.34Å; V85-S88 PolarHBondContact O-N 3.33Å; V85-S88 VanDerWaalsContact O-N 3.09Å; E86-S88 PolarHBondContact O-N 3.36Å; S88-L91 WeakPolarHBondContact O-CB 3.3Å; S88-L91 PolarHBondContact O-N 3.06Å; S88-T92 PolarHBondContact O-N 2.88Å; S88-T92 PolarHBondContact O-OG1 2.94Å; S88-K243 PolarHBondContact OG-NZ 2.89Å
89K82.4Confident78Confident125 Ų12577.8 Ų77.854%0.54339%0.388SS..Hα-helixtrans-65.2-48.4176.7-165.2-151.8171.7-120.20111.9V85 E86 L91 T92 E93V85-K89 PolarHBondContact O-N 3.45Å; E86-K89 PolarHBondContact O-N 2.98Å; E86-K89 VanDerWaalsContact O-N 3.08Å; K89-L91 PolarHBondContact O-N 3Å; K89-T92 WeakPolarHBondContact CA-OG1 3.33Å; K89-T92 PolarHBondContact O-N 3.35Å; K89-T92 PolarHBondContact O-OG1 3.05Å; K89-E93 IonicContact NZ-OE2 3.27Å; K89-E93 PolarHBondContact NZ-OE2 3.42Å; K89-E93 WeakPolarHBondContact O-CB 3.46Å; K89-E93 PolarHBondContact O-N 3.45Å
90K80.8Confident78.9Confident91 Ų9174.3 Ų74.340%0.39637%0.374SS..Hα-helixtrans-61.6-35.8177.1-68.5179-173.3167.80111.8E86 E93 V94E86-K90 PolarHBondContact O-N 3.1Å; E86-K90 WeakPolarHBondContact OE1-CE 3.47Å; E86-K90 IonicContact OE1-NZ 2.79Å; E86-K90 PolarHBondContact OE1-NZ 3.41Å; K90-E93 PolarHBondContact O-N 3.35Å; K90-V94 PolarHBondContact O-N 3.13Å; K90-V94 VanDerWaalsContact O-N 3.12Å
91L76.8Confident80.1Confident20 Ų2072.6 Ų72.611%0.10536%0.363CS..Hα-helixtrans-62.7-49.9173.7-170.573.9000111.6M87 S88 K89 E93 V94 E95 L236 L239 K240 K243M87-L91 VanDerWaalsContact O-CB 3.26Å; M87-L91 WeakPolarHBondContact O-CB 3.41Å; M87-L91 PolarHBondContact O-N 3.4Å; S88-L91 WeakPolarHBondContact O-CB 3.3Å; S88-L91 PolarHBondContact O-N 3.06Å; K89-L91 PolarHBondContact O-N 3Å; L91-E93 VanDerWaalsContact C-N 3.29Å; L91-E93 PolarHBondContact O-N 2.94Å; L91-V94 PolarHBondContact O-N 2.99Å; L91-E95 VanDerWaalsContact O-CG 3.31Å; L91-E95 WeakPolarHBondContact O-CG 3.34Å; L91-E95 PolarHBondContact O-N 3.21Å; L91-L236 HydrophobicContact CD1-CD1 3.61Å; L91-L236 HydrophobicContact CG-CD1 4.43Å; L91-L239 HydrophobicContact CD1-CB 4.06Å; L91-K240 HydrophobicContact CD1-CD 4.36Å; L91-K240 HydrophobicContact CD1-CG 3.56Å; L91-K243 HydrophobicContact CD2-CD 4.25Å
92T81.9Confident81Confident76 Ų7671.7 Ų71.747%0.46636%0.358SS..Hα-helixtrans-64.3-33.8177.447.40000112.7S88 K89 E95 E96S88-T92 PolarHBondContact O-N 2.88Å; S88-T92 PolarHBondContact O-OG1 2.94Å; K89-T92 WeakPolarHBondContact CA-OG1 3.33Å; K89-T92 PolarHBondContact O-N 3.35Å; K89-T92 PolarHBondContact O-OG1 3.05Å; T92-E95 PolarHBondContact O-N 3.2Å; T92-E96 VanDerWaalsContact O-CB 3.25Å; T92-E96 WeakPolarHBondContact O-CB 3.5Å; T92-E96 PolarHBondContact O-N 3.11Å
93E89.5Confident81.9Confident79 Ų7969.8 Ų69.837%0.36935%0.352SS..Hα-helixtrans-68-36.5179.5-166.7168.415500112.2K89 K90 L91 Q97K89-E93 IonicContact NZ-OE2 3.27Å; K89-E93 PolarHBondContact NZ-OE2 3.42Å; K89-E93 WeakPolarHBondContact O-CB 3.46Å; K89-E93 PolarHBondContact O-N 3.45Å; K90-E93 PolarHBondContact O-N 3.35Å; L91-E93 VanDerWaalsContact C-N 3.29Å; L91-E93 PolarHBondContact O-N 2.94Å; E93-Q97 WeakPolarHBondContact O-CG 3.47Å; E93-Q97 PolarHBondContact O-N 2.98Å; E93-Q97 VanDerWaalsContact O-N 3.14Å
94V87.2Confident82.9Confident8 Ų868.8 Ų68.85%0.04835%0.345CS..Hα-helixtrans-77.3-34.2172.1176.40000111.9K90 L91 L98 L232 E235 L236 L239K90-V94 PolarHBondContact O-N 3.13Å; K90-V94 VanDerWaalsContact O-N 3.12Å; L91-V94 PolarHBondContact O-N 2.99Å; V94-L98 VanDerWaalsContact O-CB 3.26Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 PolarHBondContact O-N 3.46Å; V94-L232 HydrophobicContact CG1-CD2 4.29Å; V94-E235 HydrophobicContact CG2-CG 4.38Å; V94-L236 HydrophobicContact CB-CD1 4.38Å; V94-L236 HydrophobicContact CG1-CB 3.93Å; V94-L236 HydrophobicContact CG1-CD1 4.09Å; V94-L239 HydrophobicContact CB-CD1 4.17Å; V94-L239 HydrophobicContact CG2-CD1 3.68Å
95E86.8Confident84Confident61 Ų6167.1 Ų67.129%0.28533%0.334SS..Hα-helixtrans-65.8-37.7173.3-70.5179.6147.400111.9L91 T92 L98 I99 L236 K240L91-E95 VanDerWaalsContact O-CG 3.31Å; L91-E95 WeakPolarHBondContact O-CG 3.34Å; L91-E95 PolarHBondContact O-N 3.21Å; T92-E95 PolarHBondContact O-N 3.2Å; E95-L98 PolarHBondContact O-N 3.5Å; E95-I99 WeakPolarHBondContact O-CD1 3.35Å; E95-I99 VanDerWaalsContact O-CG1 3.27Å; E95-I99 WeakPolarHBondContact O-CG1 3.41Å; E95-I99 PolarHBondContact O-N 3.12Å; E95-I99 VanDerWaalsContact O-N 3.11Å; E95-L236 HydrophobicContact CG-CD1 3.46Å; E95-L236 VanDerWaalsContact CG-CD1 3.46Å; E95-L236 HydrophobicContact CG-CD2 4.05Å; E95-L236 HydrophobicContact CG-CG 4.41Å; E95-K240 WeakPolarHBondContact OE1-CE 3.48Å; E95-K240 IonicContact OE1-NZ 2.93Å; E95-K240 PolarHBondContact OE1-NZ 3.12Å
96E89.7Confident84.8Confident129 Ų12968.8 Ų68.860%0.60334%0.341SS*.Hα-helixtrans-67-49.1174.8-172.5164.6-141.800111.4T92 L98 I99 E100T92-E96 VanDerWaalsContact O-CB 3.25Å; T92-E96 WeakPolarHBondContact O-CB 3.5Å; T92-E96 PolarHBondContact O-N 3.11Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 3.46Å; E96-I99 PolarHBondContact O-N 3.5Å; E96-E100 PolarHBondContact O-N 3.23Å
97Q89.9Confident85.5Confident73 Ų7369.7 Ų69.734%0.34135%0.349SS..Hα-helixtrans-59.5-36.2174.3-76.3177.849.300113.2E93 R101 L232E93-Q97 WeakPolarHBondContact O-CG 3.47Å; E93-Q97 PolarHBondContact O-N 2.98Å; E93-Q97 VanDerWaalsContact O-N 3.14Å; Q97-R101 WeakPolarHBondContact O-CG 3.33Å; Q97-R101 PolarHBondContact O-N 2.94Å; Q97-R101 PolarHBondContact O-NH1 3.3Å; Q97-L232 HydrophobicContact CB-CD1 4.17Å; Q97-L232 HydrophobicContact CB-CD2 4.37Å
98L88.9Confident86.7Confident26 Ų2668.4 Ų68.414%0.13634%0.343CS..Hα-helixtrans-66.5-43.2177.3-179.164000111.3V94 E95 E96 R101 C102 V229 L232 E233 L236V94-L98 VanDerWaalsContact O-CB 3.26Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 PolarHBondContact O-N 3.46Å; E95-L98 PolarHBondContact O-N 3.5Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 3.46Å; L98-R101 PolarHBondContact O-N 2.94Å; L98-C102 PolarHBondContact O-N 3.29Å; L98-C102 PolarHBondContact O-SG 2.92Å; L98-C102 VanDerWaalsContact O-SG 3.33Å; L98-V229 HydrophobicContact CD1-CB 4.38Å; L98-V229 HydrophobicContact CD1-CG1 3.92Å; L98-V229 HydrophobicContact CD1-CG2 4.27Å; L98-L232 HydrophobicContact CD1-CB 4.05Å; L98-E233 HydrophobicContact CD1-CG 3.86Å; L98-E233 HydrophobicContact CD2-CG 4.22Å; L98-L236 HydrophobicContact CD2-CD2 3.81Å
99I87.1Confident87.5Confident103 Ų10371.3 Ų71.353%0.52835%0.351SS..Hα-helixtrans-60.9-49.5175.9-68.7162.2000110.3E95 E96 R101 C102 D103E95-I99 WeakPolarHBondContact O-CD1 3.35Å; E95-I99 VanDerWaalsContact O-CG1 3.27Å; E95-I99 WeakPolarHBondContact O-CG1 3.41Å; E95-I99 PolarHBondContact O-N 3.12Å; E95-I99 VanDerWaalsContact O-N 3.11Å; E96-I99 PolarHBondContact O-N 3.5Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 3.03Å; I99-C102 WeakPolarHBondContact O-CB 3.22Å; I99-C102 PolarHBondContact O-N 3.45Å; I99-C102 VanDerWaalsContact O-N 3.07Å; I99-D103 PolarHBondContact O-N 3.29Å
100E90.1Very high87.6Confident96 Ų9667.5 Ų67.545%0.44934%0.343SS..Hα-helixtrans-55-42.2177.7-70.7-175.8178.400113.1E96 E104E96-E100 PolarHBondContact O-N 3.23Å; E100-E104 WeakPolarHBondContact O-CB 3.46Å; E100-E104 PolarHBondContact O-N 3.35Å
101R87.6Confident88.1Confident55 Ų5567.2 Ų67.221%0.20834%0.343CS..Hα-helixtrans-72.7-30.2179.5-62.3-59.278.164.7-10.9112.2Q97 L98 I99 E104 I105 K228 V229 L232Q97-R101 WeakPolarHBondContact O-CG 3.33Å; Q97-R101 PolarHBondContact O-N 2.94Å; Q97-R101 PolarHBondContact O-NH1 3.3Å; L98-R101 PolarHBondContact O-N 2.94Å; I99-R101 VanDerWaalsContact C-N 3.3Å; I99-R101 PolarHBondContact O-N 3.03Å; R101-E104 IonicContact CZ-OE2 3.11Å; R101-E104 IonicContact NE-OE2 3.71Å; R101-E104 PolarHBondContact NE-OE2 2.95Å; R101-E104 IonicContact NH2-OE2 2.65Å; R101-E104 PolarHBondContact NH2-OE2 3.22Å; R101-I105 WeakPolarHBondContact O-CB 3.44Å; R101-I105 WeakPolarHBondContact O-CD1 3.46Å; R101-I105 WeakPolarHBondContact O-CG1 3.37Å; R101-I105 PolarHBondContact O-N 3.38Å; R101-K228 HydrophobicContact CG-CG 4.41Å; R101-V229 HydrophobicContact CB-CG2 3.55Å; R101-L232 HydrophobicContact CG-CD1 3.87Å
102C87.2Confident88.8Confident53 Ų5369.9 Ų69.936%0.35835%0.352SS..Hα-helixtrans-68.5-43.5173.3-73.70000111.8L98 I99 I105 D106L98-C102 PolarHBondContact O-N 3.29Å; L98-C102 PolarHBondContact O-SG 2.92Å; L98-C102 VanDerWaalsContact O-SG 3.33Å; I99-C102 WeakPolarHBondContact O-CB 3.22Å; I99-C102 PolarHBondContact O-N 3.45Å; I99-C102 VanDerWaalsContact O-N 3.07Å; C102-I105 WeakPolarHBondContact O-CB 3.44Å; C102-I105 PolarHBondContact O-N 3.06Å; C102-D106 PolarHBondContact O-N 3.49Å; C102-D106 VanDerWaalsContact O-N 3.09Å
103D87.2Confident89.2Confident102 Ų10270.5 Ų70.555%0.54535%0.352SS..Hα-helixtrans-62.7-44.9175.1-67.5-18.4000110.6I99 I105 D106 D107I99-D103 PolarHBondContact O-N 3.29Å; D103-I105 VanDerWaalsContact C-N 3.3Å; D103-I105 PolarHBondContact O-N 3.2Å; D103-D106 PolarHBondContact O-N 3.29Å; D103-D106 VanDerWaalsContact O-N 3.15Å; D103-D107 PolarHBondContact O-N 3.39Å
104E90.6Very high89.2Confident66 Ų6671.6 Ų71.631%0.30836%0.361SS..Hα-helixtrans-57.5-38.9173.9-173.2-166.713200112.7E100 R101 L108 S225E100-E104 WeakPolarHBondContact O-CB 3.46Å; E100-E104 PolarHBondContact O-N 3.35Å; R101-E104 IonicContact CZ-OE2 3.11Å; R101-E104 IonicContact NE-OE2 3.71Å; R101-E104 PolarHBondContact NE-OE2 2.95Å; R101-E104 IonicContact NH2-OE2 2.65Å; R101-E104 PolarHBondContact NH2-OE2 3.22Å; E104-L108 HydrophobicContact CG-CD1 4.09Å; E104-L108 WeakPolarHBondContact O-CB 3.36Å; E104-L108 WeakPolarHBondContact O-CD1 3.35Å; E104-L108 VanDerWaalsContact O-CG 3.23Å; E104-L108 WeakPolarHBondContact O-CG 3.31Å; E104-L108 PolarHBondContact O-N 3.46Å; E104-S225 WeakPolarHBondContact OE1-CB 3.34Å; E104-S225 PolarHBondContact OE1-OG 3.4Å
105I91.2Very high89.2Confident10 Ų1072.2 Ų72.25%0.05136%0.363CS..Hα-helixtrans-66-41.1176.3-80.6166000111.6R101 C102 D103 L108 K109 L222 Q226 V229R101-I105 WeakPolarHBondContact O-CB 3.44Å; R101-I105 WeakPolarHBondContact O-CD1 3.46Å; R101-I105 WeakPolarHBondContact O-CG1 3.37Å; R101-I105 PolarHBondContact O-N 3.38Å; C102-I105 WeakPolarHBondContact O-CB 3.44Å; C102-I105 PolarHBondContact O-N 3.06Å; D103-I105 VanDerWaalsContact C-N 3.3Å; D103-I105 PolarHBondContact O-N 3.2Å; I105-L108 PolarHBondContact O-N 2.83Å; I105-K109 HydrophobicContact CG2-CD 4.24Å; I105-K109 VanDerWaalsContact O-CG 3.27Å; I105-K109 WeakPolarHBondContact O-CG 3.31Å; I105-K109 PolarHBondContact O-N 2.77Å; I105-L222 HydrophobicContact CB-CD1 4.34Å; I105-L222 HydrophobicContact CG1-CD1 4.33Å; I105-L222 HydrophobicContact CG2-CD1 3.95Å; I105-Q226 HydrophobicContact CD1-CB 4.4Å; I105-Q226 HydrophobicContact CD1-CG 3.94Å; I105-Q226 HydrophobicContact CG1-CG 4.18Å; I105-Q226 HydrophobicContact CG2-CG 4.45Å; I105-V229 HydrophobicContact CD1-CB 4.12Å; I105-V229 HydrophobicContact CD1-CG2 3.45Å; I105-V229 VanDerWaalsContact CD1-CG2 3.45Å
106D88.6Confident89.4Confident93 Ų9376 Ų7650%0.49738%0.379SS..Hα-helixtrans-73.4-35.4-179.6-82.62000112C102 D103 K109 A110C102-D106 PolarHBondContact O-N 3.49Å; C102-D106 VanDerWaalsContact O-N 3.09Å; D103-D106 PolarHBondContact O-N 3.29Å; D103-D106 VanDerWaalsContact O-N 3.15Å; D106-K109 PolarHBondContact O-N 3.03Å; D106-K109 WeakPolarHBondContact OD1-CD 3.37Å; D106-K109 WeakPolarHBondContact OD1-CE 3.42Å; D106-K109 IonicContact OD1-NZ 2.63Å; D106-K109 PolarHBondContact OD1-NZ 2.68Å; D106-A110 WeakPolarHBondContact O-CB 3.35Å; D106-A110 PolarHBondContact O-N 3.21Å
107D89.4Confident89.4Confident121 Ų12173.2 Ų73.265%0.64737%0.367SS*.Hα-helixtrans-61.4-45.2167.5-88.4-16000111.8D103 K109 A110 E111D103-D107 PolarHBondContact O-N 3.39Å; D107-K109 PolarHBondContact O-N 2.96Å; D107-A110 WeakPolarHBondContact O-CB 3.42Å; D107-A110 PolarHBondContact O-N 3.08Å; D107-A110 VanDerWaalsContact O-N 3.15Å; D107-E111 PolarHBondContact O-N 3.26Å
108L92.8Very high89.4Confident14 Ų1473.2 Ų73.27%0.07337%0.369CS..Hα-helixtrans-66.7-33.5177-74.8167.5000112.8E104 I105 R112 V218 R221 L222E104-L108 HydrophobicContact CG-CD1 4.09Å; E104-L108 WeakPolarHBondContact O-CB 3.36Å; E104-L108 WeakPolarHBondContact O-CD1 3.35Å; E104-L108 VanDerWaalsContact O-CG 3.23Å; E104-L108 WeakPolarHBondContact O-CG 3.31Å; E104-L108 PolarHBondContact O-N 3.46Å; I105-L108 PolarHBondContact O-N 2.83Å; L108-R112 WeakPolarHBondContact O-CB 3.42Å; L108-R112 PolarHBondContact O-N 3.21Å; L108-V218 HydrophobicContact CD2-CG1 4.2Å; L108-R221 HydrophobicContact CD1-CB 4.16Å; L108-R221 HydrophobicContact CD2-CB 4.02Å; L108-L222 HydrophobicContact CB-CB 4.17Å; L108-L222 HydrophobicContact CB-CD1 4.02Å
109K91.5Very high89.7Confident97 Ų9773.1 Ų73.142%0.42237%0.369SS..Hα-helixtrans-63.9-42.5169.6-73.9168.6-165.91570110.9I105 D106 D107 R112 N113 L222I105-K109 HydrophobicContact CG2-CD 4.24Å; I105-K109 VanDerWaalsContact O-CG 3.27Å; I105-K109 WeakPolarHBondContact O-CG 3.31Å; I105-K109 PolarHBondContact O-N 2.77Å; D106-K109 PolarHBondContact O-N 3.03Å; D106-K109 WeakPolarHBondContact OD1-CD 3.37Å; D106-K109 WeakPolarHBondContact OD1-CE 3.42Å; D106-K109 IonicContact OD1-NZ 2.63Å; D106-K109 PolarHBondContact OD1-NZ 2.68Å; D107-K109 PolarHBondContact O-N 2.96Å; K109-R112 PolarHBondContact O-N 3.41Å; K109-N113 WeakPolarHBondContact O-CB 3.43Å; K109-N113 PolarHBondContact O-N 2.87Å; K109-L222 HydrophobicContact CG-CD1 4.07Å; K109-L222 HydrophobicContact CG-CD2 4.18Å
110A85.1Confident89.8Confident44 Ų4473.7 Ų73.736%0.36437%0.369SS..Hα-helixtrans-67.3-44.8178.500000112D106 D107 R112 N113 N114D106-A110 WeakPolarHBondContact O-CB 3.35Å; D106-A110 PolarHBondContact O-N 3.21Å; D107-A110 WeakPolarHBondContact O-CB 3.42Å; D107-A110 PolarHBondContact O-N 3.08Å; D107-A110 VanDerWaalsContact O-N 3.15Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.48Å; A110-N113 PolarHBondContact O-N 3.46Å; A110-N114 WeakPolarHBondContact O-CB 3.19Å; A110-N114 PolarHBondContact O-N 2.9Å; A110-N114 PolarHBondContact O-ND2 2.99Å
111E90.8Very high89.8Confident85 Ų8574.7 Ų74.740%0.39737%0.373SS..Hα-helixtrans-56.4-48.2173.4-173.4-179.3-161.200110.6D107 N113 N114 M115 V218D107-E111 PolarHBondContact O-N 3.26Å; E111-N113 PolarHBondContact O-N 2.89Å; E111-N114 PolarHBondContact O-N 3.48Å; E111-M115 WeakPolarHBondContact O-CB 3.49Å; E111-M115 PolarHBondContact O-N 2.93Å; E111-V218 HydrophobicContact CB-CG1 4.16Å; E111-V218 HydrophobicContact CG-CG1 4.13Å; E111-V218 HydrophobicContact CG-CG2 4.06Å
112R91.3Very high90.1Very high77 Ų7772.7 Ų72.729%0.29137%0.367SS..Hα-helixtrans-62.1-42.4177.6-162.3-172-177.3-178.95.9112.7L108 K109 A110 N114 M115 K116 D215 V218 H219L108-R112 WeakPolarHBondContact O-CB 3.42Å; L108-R112 PolarHBondContact O-N 3.21Å; K109-R112 PolarHBondContact O-N 3.41Å; A110-R112 VanDerWaalsContact C-N 3.34Å; A110-R112 PolarHBondContact O-N 3.48Å; R112-N114 VanDerWaalsContact C-N 3.34Å; R112-N114 PolarHBondContact O-N 2.85Å; R112-M115 PolarHBondContact O-N 3.36Å; R112-K116 WeakPolarHBondContact O-CB 3.43Å; R112-K116 PolarHBondContact O-N 3.16Å; R112-D215 WeakPolarHBondContact CG-OD1 3.22Å; R112-D215 IonicContact CZ-OD2 2.69Å; R112-D215 IonicContact NE-OD1 2.85Å; R112-D215 IonicContact NE-OD2 3.17Å; R112-D215 PolarHBondContact NE-OD2 2.79Å; R112-D215 IonicContact NH2-OD2 2.71Å; R112-D215 PolarHBondContact NH2-OD2 2.87Å; R112-V218 HydrophobicContact CB-CG1 3.95Å; R112-H219 VanDerWaalsContact CZ-CG 3.44Å; R112-H219 PolarHBondContact NH1-CE1 3.37Å; R112-H219 PolarHBondContact NH1-ND1 3.32Å; R112-H219 PolarHBondContact NH2-CD2 2.96Å
113N89.8Confident90.3Very high88 Ų8875.7 Ų75.747%0.47138%0.376SS..Hα-helixtrans-62.5-42.3176.9-177.666.6000111.6K109 A110 E111 K116 I117K109-N113 WeakPolarHBondContact O-CB 3.43Å; K109-N113 PolarHBondContact O-N 2.87Å; A110-N113 PolarHBondContact O-N 3.46Å; E111-N113 PolarHBondContact O-N 2.89Å; N113-K116 PolarHBondContact O-N 3.47Å; N113-I117 VanDerWaalsContact O-CG1 3.32Å; N113-I117 WeakPolarHBondContact O-CG1 3.25Å; N113-I117 PolarHBondContact O-N 3.19Å
114N89.5Confident90.4Very high103 Ų10373.4 Ų73.455%0.55136%0.363SS*.Hα-helixtrans-64.3-41.9175.4-67-26.4000111.7A110 E111 R112 I117 L118A110-N114 WeakPolarHBondContact O-CB 3.19Å; A110-N114 PolarHBondContact O-N 2.9Å; A110-N114 PolarHBondContact O-ND2 2.99Å; E111-N114 PolarHBondContact O-N 3.48Å; R112-N114 VanDerWaalsContact C-N 3.34Å; R112-N114 PolarHBondContact O-N 2.85Å; N114-I117 PolarHBondContact O-N 3.34Å; N114-L118 WeakPolarHBondContact O-CB 3.5Å; N114-L118 PolarHBondContact O-N 2.66Å
115M88.9Confident90.4Very high21 Ų2173 Ų7310%0.10336%0.363CS..Hα-helixtrans-61.7-44175.3-17061.563.500111.8E111 R112 L118 L119 H211 L214 D215E111-M115 WeakPolarHBondContact O-CB 3.49Å; E111-M115 PolarHBondContact O-N 2.93Å; R112-M115 PolarHBondContact O-N 3.36Å; M115-L118 PolarHBondContact O-N 3.22Å; M115-L119 HydrophobicContact CG-CD1 4.3Å; M115-L119 WeakPolarHBondContact O-CB 3.4Å; M115-L119 WeakPolarHBondContact O-CG 3.49Å; M115-L119 PolarHBondContact O-N 3.25Å; M115-H211 HydrophobicContact SD-CB 3.86Å; M115-L214 HydrophobicContact CE-CB 3.78Å; M115-L214 HydrophobicContact CE-CD1 4.14Å; M115-L214 HydrophobicContact SD-CB 4.14Å; M115-D215 HydrophobicContact CG-CB 3.77Å
116K90.1Very high90.4Very high140 Ų14073.4 Ų73.461%0.60937%0.366SS*.Hα-helixtrans-61.7-44.5176.1-173.1-176.6178-172.40112.4R112 N113 L118 L119 E120R112-K116 WeakPolarHBondContact O-CB 3.43Å; R112-K116 PolarHBondContact O-N 3.16Å; N113-K116 PolarHBondContact O-N 3.47Å; K116-L118 VanDerWaalsContact C-N 3.32Å; K116-L118 PolarHBondContact O-N 3.33Å; K116-L119 PolarHBondContact O-N 3.02Å; K116-E120 PolarHBondContact O-N 3.15Å
117I89Confident90.4Very high71 Ų7171.7 Ų71.736%0.36436%0.364SS..Hα-helixtrans-64.2-38.4175.8-69.2165.2000110.9N113 N114 H121N113-I117 VanDerWaalsContact O-CG1 3.32Å; N113-I117 WeakPolarHBondContact O-CG1 3.25Å; N113-I117 PolarHBondContact O-N 3.19Å; N114-I117 PolarHBondContact O-N 3.34Å; I117-H121 PolarHBondContact O-N 3.48Å; I117-H121 PolarHBondContact O-ND1 3.01Å
118L91.8Very high90.1Very high72 Ų7271.6 Ų71.638%0.37736%0.355SS..Hα-helixtrans-67.3-39.4175.8-179.153.3000111.8N114 M115 K116 H121 L122 H211N114-L118 WeakPolarHBondContact O-CB 3.5Å; N114-L118 PolarHBondContact O-N 2.66Å; M115-L118 PolarHBondContact O-N 3.22Å; K116-L118 VanDerWaalsContact C-N 3.32Å; K116-L118 PolarHBondContact O-N 3.33Å; L118-H121 PolarHBondContact O-N 3.33Å; L118-L122 HydrophobicContact CD1-CD1 4.25Å; L118-L122 HydrophobicContact CD1-CG 4.24Å; L118-L122 HydrophobicContact CG-CD1 4.17Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 VanDerWaalsContact O-CG 3.3Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.43Å; L118-H211 VanDerWaalsContact CD2-CD2 3.46Å; L118-H211 WeakPolarHBondContact CD2-CD2 3.47Å
119L94Very high89.7Confident24 Ų2473.6 Ų73.613%0.12636%0.364CS..Hα-helixtrans-63.2-45.6173.4-77.6167.2000112.3M115 K116 H121 L122 E123 F208 H211 K212 D215M115-L119 HydrophobicContact CG-CD1 4.3Å; M115-L119 WeakPolarHBondContact O-CB 3.4Å; M115-L119 WeakPolarHBondContact O-CG 3.49Å; M115-L119 PolarHBondContact O-N 3.25Å; K116-L119 PolarHBondContact O-N 3.02Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.95Å; L119-L122 PolarHBondContact O-N 2.95Å; L119-E123 WeakPolarHBondContact O-CB 3.26Å; L119-E123 PolarHBondContact O-N 2.86Å; L119-F208 HydrophobicContact CB-CE2 4.27Å; L119-F208 HydrophobicContact CD2-CD2 3.65Å; L119-F208 HydrophobicContact CD2-CE2 3.65Å; L119-F208 HydrophobicContact CD2-CG 4.34Å; L119-F208 HydrophobicContact CD2-CZ 4.34Å; L119-F208 WeakPolarHBondContact CD2-O 3.38Å; L119-H211 HydrophobicContact CD2-CB 3.73Å; L119-H211 HydrophobicContact CG-CB 4.22Å; L119-K212 HydrophobicContact CD2-CB 4.09Å; L119-D215 HydrophobicContact CD1-CB 4.05Å
120E89.8Confident89.7Confident116 Ų11671.3 Ų71.354%0.54236%0.355SS..Hα-helixtrans-60.8-40.8175.5-176.1179.7169.500111.9K116 N124K116-E120 PolarHBondContact O-N 3.15Å; E120-N124 WeakPolarHBondContact O-CB 3.34Å; E120-N124 PolarHBondContact O-N 3.01Å; E120-N124 PolarHBondContact O-ND2 3.16Å
121H90.7Very high89.5Confident116 Ų11671.7 Ų71.754%0.53735%0.348SS..Hα-helixtrans-65.7-41.3174.5-76.2124000112.7I117 L118 L119 L125I117-H121 PolarHBondContact O-N 3.48Å; I117-H121 PolarHBondContact O-ND1 3.01Å; L118-H121 PolarHBondContact O-N 3.33Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.95Å; H121-L125 VanDerWaalsContact O-CB 3.3Å; H121-L125 WeakPolarHBondContact O-CB 3.45Å; H121-L125 PolarHBondContact O-N 3Å
122L93.1Very high89Confident13 Ų1370.1 Ų70.17%0.06835%0.347CS..Hα-helixtrans-67.8-42.5177.4-76.4172.4000111.7L118 L119 L125 V126 L207 F208 H211L118-L122 HydrophobicContact CD1-CD1 4.25Å; L118-L122 HydrophobicContact CD1-CG 4.24Å; L118-L122 HydrophobicContact CG-CD1 4.17Å; L118-L122 WeakPolarHBondContact O-CB 3.45Å; L118-L122 VanDerWaalsContact O-CG 3.3Å; L118-L122 WeakPolarHBondContact O-CG 3.48Å; L118-L122 PolarHBondContact O-N 3.43Å; L119-L122 PolarHBondContact O-N 2.95Å; L122-L125 PolarHBondContact O-N 3.45Å; L122-L125 VanDerWaalsContact O-N 3.1Å; L122-V126 WeakPolarHBondContact O-CB 3.41Å; L122-V126 WeakPolarHBondContact O-CG2 3.42Å; L122-V126 PolarHBondContact O-N 2.84Å; L122-L207 HydrophobicContact CD1-CG 4.34Å; L122-L207 HydrophobicContact CD2-CD2 3.87Å; L122-L207 HydrophobicContact CD2-CG 4.39Å; L122-F208 HydrophobicContact CB-CB 4.38Å; L122-F208 HydrophobicContact CB-CD2 3.9Å; L122-H211 HydrophobicContact CD1-CB 4.37Å
123E91.4Very high88.6Confident117 Ų11767.8 Ų67.855%0.54734%0.34SS..Hα-helixtrans-59.7-48.4173.4-176.1173-160.700110.8L119 L125 V126 A127 F208L119-E123 WeakPolarHBondContact O-CB 3.26Å; L119-E123 PolarHBondContact O-N 2.86Å; E123-L125 PolarHBondContact O-N 3.05Å; E123-V126 PolarHBondContact O-N 2.96Å; E123-A127 VanDerWaalsContact O-CB 3.28Å; E123-A127 WeakPolarHBondContact O-CB 3.37Å; E123-A127 PolarHBondContact O-N 2.92Å; E123-F208 HydrophobicContact CB-CD2 4.39Å; E123-F208 HydrophobicContact CB-CE2 3.82Å; E123-F208 HydrophobicContact CB-CZ 4.43Å
124N88.8Confident88.1Confident54 Ų5471.1 Ų71.129%0.28935%0.346SS..Hα-helixtrans-62.2-29.9174.3-85.8-75.5000112.9E120 R128E120-N124 WeakPolarHBondContact O-CB 3.34Å; E120-N124 PolarHBondContact O-N 3.01Å; E120-N124 PolarHBondContact O-ND2 3.16Å; N124-R128 VanDerWaalsContact O-CB 3.3Å; N124-R128 WeakPolarHBondContact O-CB 3.35Å; N124-R128 WeakPolarHBondContact O-CG 3.48Å; N124-R128 PolarHBondContact O-N 3.25Å; N124-R128 VanDerWaalsContact O-N 3.1Å; N124-R128 PolarHBondContact O-NE 3.14Å
125L90.4Very high87.3Confident58 Ų5870.8 Ų70.830%0.30434%0.342SS..Hα-helixtrans-77-41.4176.8-168.964.2000112.1H121 L122 E123 R128 H129 L204H121-L125 VanDerWaalsContact O-CB 3.3Å; H121-L125 WeakPolarHBondContact O-CB 3.45Å; H121-L125 PolarHBondContact O-N 3Å; L122-L125 PolarHBondContact O-N 3.45Å; L122-L125 VanDerWaalsContact O-N 3.1Å; E123-L125 PolarHBondContact O-N 3.05Å; L125-R128 PolarHBondContact O-N 3.34Å; L125-H129 PolarHBondContact O-N 3.29Å; L125-H129 PolarHBondContact O-ND1 2.81Å; L125-L204 HydrophobicContact CD2-CD1 4.35Å; L125-L204 HydrophobicContact CD2-CD2 3.81Å; L125-L204 HydrophobicContact CG-CD1 4.21Å; L125-L204 HydrophobicContact CG-CD2 4.48Å
126V91Very high86.8Confident18 Ų1871.6 Ų71.611%0.10935%0.348CS..Hα-helixtrans-60.8-49.7172.2166.10000110.2L122 E123 R128 H129 E130 L201 L204 K205L122-V126 WeakPolarHBondContact O-CB 3.41Å; L122-V126 WeakPolarHBondContact O-CG2 3.42Å; L122-V126 PolarHBondContact O-N 2.84Å; E123-V126 PolarHBondContact O-N 2.96Å; V126-R128 VanDerWaalsContact C-N 3.32Å; V126-R128 PolarHBondContact O-N 2.78Å; V126-H129 PolarHBondContact O-N 2.68Å; V126-E130 WeakPolarHBondContact O-CB 3.13Å; V126-E130 PolarHBondContact O-N 3.47Å; V126-L201 HydrophobicContact CG1-CD1 4.06Å; V126-L204 HydrophobicContact CG2-CB 3.77Å; V126-K205 HydrophobicContact CG1-CD 4.19Å; V126-K205 VanDerWaalsContact CG1-CE 3.4Å; V126-K205 HydrophobicContact CG1-CG 3.65Å; V126-K205 HydrophobicContact CG2-CG 4.09Å
127A88.9Confident86Confident56 Ų5667.4 Ų67.446%0.46333%0.334SS..Hα-helixtrans-62.3-37.6178.100000112.2E123 K131E123-A127 VanDerWaalsContact O-CB 3.28Å; E123-A127 WeakPolarHBondContact O-CB 3.37Å; E123-A127 PolarHBondContact O-N 2.92Å; A127-K131 WeakPolarHBondContact O-CB 3.23Å; A127-K131 PolarHBondContact O-N 2.97Å
128R84.3Confident85.2Confident120 Ų12067.8 Ų67.845%0.45334%0.34SS..Hα-helixtrans-67-42.4173.6-80.8177.5-68.7-178.11.1112.7N124 L125 V126 K131 S132N124-R128 VanDerWaalsContact O-CB 3.3Å; N124-R128 WeakPolarHBondContact O-CB 3.35Å; N124-R128 WeakPolarHBondContact O-CG 3.48Å; N124-R128 PolarHBondContact O-N 3.25Å; N124-R128 VanDerWaalsContact O-N 3.1Å; N124-R128 PolarHBondContact O-NE 3.14Å; L125-R128 PolarHBondContact O-N 3.34Å; V126-R128 VanDerWaalsContact C-N 3.32Å; V126-R128 PolarHBondContact O-N 2.78Å; R128-K131 PolarHBondContact O-N 3.21Å; R128-S132 WeakPolarHBondContact O-CB 3.38Å; R128-S132 PolarHBondContact O-N 2.77Å
129H84.5Confident84.1Confident55 Ų5571.4 Ų71.426%0.25535%0.352SS..Hα-helixtrans-68.3-40.9176.2-79.286000112.3L125 V126 K131 S132 L133 L201 L204L125-H129 PolarHBondContact O-N 3.29Å; L125-H129 PolarHBondContact O-ND1 2.81Å; V126-H129 PolarHBondContact O-N 2.68Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 PolarHBondContact O-N 3.4Å; H129-S132 WeakPolarHBondContact O-CB 3.43Å; H129-S132 PolarHBondContact O-N 2.95Å; H129-L133 WeakPolarHBondContact O-CB 3.35Å; H129-L133 PolarHBondContact O-N 2.9Å; H129-L201 HydrophobicContact CB-CD1 3.92Å; H129-L204 HydrophobicContact CB-CD1 4.36Å; H129-L204 WeakPolarHBondContact ND1-CD1 3.29Å
130E90Very high82.7Confident49 Ų4975.7 Ų75.723%0.22937%0.367CS..Hα-helixtrans-65.4-38.1175.3-164.1179.7124.400111.6V126 L133 R134 L201 K205V126-E130 WeakPolarHBondContact O-CB 3.13Å; V126-E130 PolarHBondContact O-N 3.47Å; E130-L133 PolarHBondContact O-N 2.86Å; E130-R134 WeakPolarHBondContact O-CB 3.36Å; E130-R134 VanDerWaalsContact O-CG 3.23Å; E130-R134 WeakPolarHBondContact O-CG 3.49Å; E130-R134 PolarHBondContact O-N 3.18Å; E130-R134 IonicContact OE1-CZ 3.06Å; E130-R134 VanDerWaalsContact OE1-CZ 3.3Å; E130-R134 IonicContact OE1-NE 3.89Å; E130-R134 PolarHBondContact OE1-NE 3.37Å; E130-R134 IonicContact OE1-NH2 3.06Å; E130-R134 PolarHBondContact OE1-NH2 3.46Å; E130-L201 HydrophobicContact CB-CD1 4.25Å; E130-L201 HydrophobicContact CB-CD2 3.94Å; E130-L201 HydrophobicContact CG-CD2 4.02Å; E130-K205 IonicContact OE2-NZ 2.72Å; E130-K205 PolarHBondContact OE2-NZ 3.16Å
131K82.1Confident81.6Confident53 Ų5376.3 Ų76.323%0.2337%0.37CS..Hα-helixtrans-65.3-39.5171.9-168.6-172.4-179.7-166.60112.2A127 R128 H129 M135 L436 L440A127-K131 WeakPolarHBondContact O-CB 3.23Å; A127-K131 PolarHBondContact O-N 2.97Å; R128-K131 PolarHBondContact O-N 3.21Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 PolarHBondContact O-N 3.4Å; K131-M135 WeakPolarHBondContact O-CB 3.49Å; K131-M135 VanDerWaalsContact O-CG 3.3Å; K131-M135 WeakPolarHBondContact O-CG 3.42Å; K131-M135 PolarHBondContact O-N 3.34Å; K131-L436 PolarHBondContact NZ-O 3.27Å; K131-L440 HydrophobicContact CD-CD1 4.46Å; K131-L440 HydrophobicContact CG-CD1 4Å
132S80.4Confident80.3Confident52 Ų5274.4 Ų74.436%0.36437%0.366SS..Hα-helixtrans-57.7-55.4172.8178.20000110.5R128 H129 R134 M135 T136 E197R128-S132 WeakPolarHBondContact O-CB 3.38Å; R128-S132 PolarHBondContact O-N 2.77Å; H129-S132 WeakPolarHBondContact O-CB 3.43Å; H129-S132 PolarHBondContact O-N 2.95Å; S132-R134 PolarHBondContact O-N 3.06Å; S132-M135 CarbonylContact O-C 3.6Å; S132-M135 WeakPolarHBondContact O-CA 3.49Å; S132-M135 PolarHBondContact O-N 2.97Å; S132-T136 WeakPolarHBondContact O-CB 3.31Å; S132-T136 PolarHBondContact O-N 3.23Å; S132-T136 PolarHBondContact O-OG1 3.48Å; S132-E197 WeakPolarHBondContact CB-OE1 3.35Å; S132-E197 PolarHBondContact OG-OE1 3.37Å
133L81.6Confident78.5Confident28 Ų2877.3 Ų77.315%0.14739%0.388CS..Hα-helixtrans-56.8-47.7179.9-172.574.3000111.6H129 E130 M135 T136 V137 L194 E197 V198 L201H129-L133 WeakPolarHBondContact O-CB 3.35Å; H129-L133 PolarHBondContact O-N 2.9Å; E130-L133 PolarHBondContact O-N 2.86Å; L133-M135 VanDerWaalsContact C-N 3.34Å; L133-M135 PolarHBondContact O-N 3.3Å; L133-T136 PolarHBondContact O-N 2.86Å; L133-V137 WeakPolarHBondContact O-CG2 3.4Å; L133-V137 PolarHBondContact O-N 2.98Å; L133-L194 HydrophobicContact CD1-CD2 3.89Å; L133-E197 HydrophobicContact CD1-CB 4Å; L133-E197 HydrophobicContact CD1-CG 3.89Å; L133-E197 PolarHBondContact N-OE1 2.93Å; L133-V198 HydrophobicContact CD1-CG2 3.93Å; L133-V198 HydrophobicContact CD2-CG2 3.89Å; L133-L201 HydrophobicContact CD2-CD2 4.17Å
134R79.9Confident76.8Confident157 Ų15776.5 Ų76.559%0.59239%0.391SS*.Hα-helixtrans-57.7-43.7174.6-72.7170.5-175.3-102.78.3111.7E130 S132 V138E130-R134 WeakPolarHBondContact O-CB 3.36Å; E130-R134 VanDerWaalsContact O-CG 3.23Å; E130-R134 WeakPolarHBondContact O-CG 3.49Å; E130-R134 PolarHBondContact O-N 3.18Å; E130-R134 IonicContact OE1-CZ 3.06Å; E130-R134 VanDerWaalsContact OE1-CZ 3.3Å; E130-R134 IonicContact OE1-NE 3.89Å; E130-R134 PolarHBondContact OE1-NE 3.37Å; E130-R134 IonicContact OE1-NH2 3.06Å; E130-R134 PolarHBondContact OE1-NH2 3.46Å; S132-R134 PolarHBondContact O-N 3.06Å; R134-V138 WeakPolarHBondContact O-CB 3.43Å; R134-V138 VanDerWaalsContact O-CG2 3.3Å; R134-V138 WeakPolarHBondContact O-CG2 3.13Å; R134-V138 PolarHBondContact O-N 2.84Å
135M73.1Confident75Confident96 Ų9677.1 Ų77.147%0.47340%0.403SS..Hα-helixtrans-69.6-36.2177-74.3-61.3-64.100113.3K131 S132 L133 K139 L440K131-M135 WeakPolarHBondContact O-CB 3.49Å; K131-M135 VanDerWaalsContact O-CG 3.3Å; K131-M135 WeakPolarHBondContact O-CG 3.42Å; K131-M135 PolarHBondContact O-N 3.34Å; S132-M135 CarbonylContact O-C 3.6Å; S132-M135 WeakPolarHBondContact O-CA 3.49Å; S132-M135 PolarHBondContact O-N 2.97Å; L133-M135 VanDerWaalsContact C-N 3.34Å; L133-M135 PolarHBondContact O-N 3.3Å; M135-K139 WeakPolarHBondContact O-CB 3.3Å; M135-K139 PolarHBondContact O-N 3.17Å; M135-L440 HydrophobicContact CG-CD1 4.03Å; M135-L440 HydrophobicContact SD-CD1 3.64Å
136T77.7Confident73.1Confident39 Ų3981.8 Ų81.824%0.23943%0.426CS..Hα-helixtrans-64.8-42.5174.9-68.90000111.1S132 L133 R140 L194S132-T136 WeakPolarHBondContact O-CB 3.31Å; S132-T136 PolarHBondContact O-N 3.23Å; S132-T136 PolarHBondContact O-OG1 3.48Å; L133-T136 PolarHBondContact O-N 2.86Å; T136-R140 WeakPolarHBondContact O-CG 3.45Å; T136-R140 PolarHBondContact O-N 2.93Å; T136-R140 VanDerWaalsContact O-N 3.09Å; T136-L194 HydrophobicContact CG2-CD2 4.19Å
137V73.6Confident71.2Confident52 Ų5284.8 Ų84.832%0.31545%0.447SS..Hα-helixtrans-62-54.3172.91690000110.6L133 K139 R140 H141L133-V137 WeakPolarHBondContact O-CG2 3.4Å; L133-V137 PolarHBondContact O-N 2.98Å; V137-K139 VanDerWaalsContact C-N 3.32Å; V137-K139 PolarHBondContact O-N 3.01Å; V137-R140 PolarHBondContact O-N 3.45Å; V137-R140 VanDerWaalsContact O-N 3.12Å; V137-H141 PolarHBondContact O-CD2 2.93Å; V137-H141 PolarHBondContact O-N 3.24Å
138V73.2Confident69.2Low78 Ų7888.7 Ų88.747%0.47346%0.46SS..Hα-helixtrans-56.8-43.2178.4168.30000112R134 R140 H141 T142R134-V138 WeakPolarHBondContact O-CB 3.43Å; R134-V138 VanDerWaalsContact O-CG2 3.3Å; R134-V138 WeakPolarHBondContact O-CG2 3.13Å; R134-V138 PolarHBondContact O-N 2.84Å; V138-R140 VanDerWaalsContact C-N 3.33Å; V138-R140 PolarHBondContact O-N 2.78Å; V138-H141 PolarHBondContact O-N 3.49Å; V138-T142 PolarHBondContact O-N 3.36Å; V138-T142 PolarHBondContact O-OG1 3.36Å
139K68.6Low66.9Low148 Ų14887.8 Ų87.864%0.64347%0.472SS*.Hα-helixtrans-67.5-30.7179.8-173.9173.5179.6179.70113M135 V137 T142 S143M135-K139 WeakPolarHBondContact O-CB 3.3Å; M135-K139 PolarHBondContact O-N 3.17Å; V137-K139 VanDerWaalsContact C-N 3.32Å; V137-K139 PolarHBondContact O-N 3.01Å; K139-T142 PolarHBondContact O-OG1 3.42Å; K139-S143 WeakPolarHBondContact O-CB 3.33Å; K139-S143 PolarHBondContact O-N 3.37Å; K139-S143 PolarHBondContact O-OG 3.43Å
140R63.8Low64.5Low114 Ų11490.9 Ų90.943%0.4350%0.495SS..Hα-helixtrans-68.6-46.5170.3-76.3179.3174.6136.4-3.8110.6T136 V137 V138 T142 S143 T144 G193 L194T136-R140 WeakPolarHBondContact O-CG 3.45Å; T136-R140 PolarHBondContact O-N 2.93Å; T136-R140 VanDerWaalsContact O-N 3.09Å; V137-R140 PolarHBondContact O-N 3.45Å; V137-R140 VanDerWaalsContact O-N 3.12Å; V138-R140 VanDerWaalsContact C-N 3.33Å; V138-R140 PolarHBondContact O-N 2.78Å; R140-T142 PolarHBondContact O-N 3.18Å; R140-S143 WeakPolarHBondContact O-CB 3.47Å; R140-S143 PolarHBondContact O-N 3.22Å; R140-T144 PolarHBondContact O-N 3.47Å; R140-T144 PolarHBondContact O-OG1 3.36Å; R140-T144 VanDerWaalsContact O-OG1 3.11Å; R140-G193 PolarHBondContact NH1-O 2.94Å; R140-G193 PolarHBondContact NH2-O 3.38Å; R140-L194 VanDerWaalsContact NH1-CG 3.28Å
141H65.9Low62Low130 Ų13097 Ų9760%0.60253%0.53SS*.Hα-helixtrans-59.2-42.9176.3-70.3-68.6000113.6V137 V138 S143 T144 A145V137-H141 PolarHBondContact O-CD2 2.93Å; V137-H141 PolarHBondContact O-N 3.24Å; V138-H141 PolarHBondContact O-N 3.49Å; H141-S143 VanDerWaalsContact C-N 3.34Å; H141-S143 PolarHBondContact O-N 2.94Å; H141-T144 PolarHBondContact O-N 3.03Å; H141-A145 PolarHBondContact O-N 3.24Å
142T64Low59.7Low75 Ų7599.9 Ų99.946%0.4656%0.557SS.*Hα-helixtrans-69.7-31.2177.856.20000113V138 K139 R140 T144 A145 M146V138-T142 PolarHBondContact O-N 3.36Å; V138-T142 PolarHBondContact O-OG1 3.36Å; K139-T142 PolarHBondContact O-OG1 3.42Å; R140-T142 PolarHBondContact O-N 3.18Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.18Å; T142-A145 PolarHBondContact O-N 3.41Å; T142-A145 VanDerWaalsContact O-N 3.17Å; T142-M146 PolarHBondContact O-N 2.93Å
143S54.8Low57.3Low75 Ų75104.9 Ų104.952%0.52458%0.578SS.*Hα-helixtrans-63.7-38.5174.8-59.20000111.8K139 R140 H141 A145K139-S143 WeakPolarHBondContact O-CB 3.33Å; K139-S143 PolarHBondContact O-N 3.37Å; K139-S143 PolarHBondContact O-OG 3.43Å; R140-S143 WeakPolarHBondContact O-CB 3.47Å; R140-S143 PolarHBondContact O-N 3.22Å; H141-S143 VanDerWaalsContact C-N 3.34Å; H141-S143 PolarHBondContact O-N 2.94Å; S143-A145 VanDerWaalsContact C-N 3.28Å; S143-A145 PolarHBondContact O-N 3.08Å
144T55.6Low54.9Low99 Ų99110.9 Ų110.961%0.60761%0.609SS**Hα-helixtrans-70.7-20.3175.1-40.20000113.2R140 H141 T142 S147R140-T144 PolarHBondContact O-N 3.47Å; R140-T144 PolarHBondContact O-OG1 3.36Å; R140-T144 VanDerWaalsContact O-OG1 3.11Å; H141-T144 PolarHBondContact O-N 3.03Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.18Å; T144-S147 PolarHBondContact O-OG 2.76Å
145A51.3Low53.2Low67 Ų67109.6 Ų109.655%0.55462%0.621SS**Hα-helixtrans-84.2-33.7179.400000113.1H141 T142 S143 S147H141-A145 PolarHBondContact O-N 3.24Å; T142-A145 PolarHBondContact O-N 3.41Å; T142-A145 VanDerWaalsContact O-N 3.17Å; S143-A145 VanDerWaalsContact C-N 3.28Å; S143-A145 PolarHBondContact O-N 3.08Å; A145-S147 VanDerWaalsContact C-N 3.32Å; A145-S147 PolarHBondContact O-N 2.91Å
146M49.9Very low51Low157 Ų157108.9 Ų108.977%0.77364%0.638SS**THydrogen-bonded Turntrans-79.1-6.3-174.3-69.4-16672.300115T142 N148T142-M146 PolarHBondContact O-N 2.93Å; M146-N148 VanDerWaalsContact C-N 3.32Å
147S51.2Low48.7Very low81 Ų81111.1 Ų111.157%0.56667%0.669SS**THydrogen-bonded Turntrans-77.3-13.4175.750.10000114.4T144 A145T144-S147 PolarHBondContact O-OG 2.76Å; A145-S147 VanDerWaalsContact C-N 3.32Å; A145-S147 PolarHBondContact O-N 2.91Å
148N47.5Very low46.5Very low137 Ų137114.9 Ų114.973%0.73369%0.692SS**SBendtrans-106.515.2-160.7-65.59.2000114.5M146M146-N148 VanDerWaalsContact C-N 3.32Å
149S36.4Very low44.2Very low101 Ų101118.9 Ų118.971%0.70671%0.708SS**SBendtrans-12322.7-171.852.60000116
150T33.5Very low42.5Very low121 Ų121115.6 Ų115.674%0.74271%0.708SS**  trans-137.995.9162.555.30000111.3
151N38Very low40.8Very low177 Ų177117.3 Ų117.395%0.94773%0.726SS**  trans-174.1107.9155.1-99.2-27.3000112.4
152S33.1Very low39.1Very low114 Ų114114.5 Ų114.580%0.79773%0.732SS**  trans-153.3159.2154.466.50000108.6
153L30.6Very low37.2Very low156 Ų156119.5 Ų119.582%0.81775%0.751SS**SBendtrans87.277.3-168.6-60.7156000116.5
154I31.8Very low36.1Very low155 Ų155122.6 Ų122.680%0.79577%0.766SS**  55.7128.5117.9-60.5171000118.6
155P44.3Very low34.7Very low130 Ų130123.4 Ų123.484%0.84477%0.771SS**  trans-96.3173.9-165.940.1-39.3000115.7
156G27.1Very low33.4Very low81 Ų81126 Ų12684%0.83578%0.783SS**  trans-161.5154.616200000112.9
157G28.6Very low32.3Very low86 Ų86123.9 Ų123.989%0.88778%0.784SS**  trans103.578.4167.900000116.7
158T28.2Very low31.1Very low130 Ų130128.8 Ų128.880%0.79880%0.798SS**  trans-78158.8158.942.60000111.6
159M24.7Very low30.4Very low163 Ų163131.6 Ų131.680%0.80381%0.809SS**  160.1157.5124.3-83.6-55.8-71.900113.1
160A32.6Very low30.1Very low79 Ų79133 Ų13365%0.65381%0.809SS**  trans73.1147.5165.900000119.7
161D28.3Very low29.9Very low149 Ų149133.4 Ų133.480%0.79781%0.805SS**  cis-167.6155.4-26.8-96.5-28.9000109.9
162G28.8Very low29.6Very low72 Ų72132.5 Ų132.574%0.74280%0.799SS**  trans81.8125.717200000115.1
163E25.7Very low29.5Very low180 Ų180133.4 Ų133.484%0.84180%0.795SS**  cis84.186.530.2-60.3-154.6132.200117.4
164T30.3Very low29.5Very low140 Ų140130.9 Ų130.986%0.85979%0.791SS**  trans-172.9117.7146.15.30000106.5
165V26.5Very low29.6Very low116 Ų116129 Ų12970%0.70379%0.791SS**  cis77.3136.119.4-166.30000114.3
166C24.9Very low29.7Very low120 Ų120128 Ų12881%0.81178%0.784SS**  trans81.4118.5-164.5-54.20000113.3
167S25.2Very low29.9Very low113 Ų113131.8 Ų131.879%0.7979%0.786SS**  cis109.9137.216-66.20000113.1
168E26.4Very low29.7Very low185 Ų185138.3 Ų138.386%0.86479%0.785SS**  trans72.8102.3151.2-153.6157.4-132.100118.8
169M33.8Very low29.7Very low195 Ų195137.4 Ų137.496%0.96178%0.784SS**  trans-153.9147.9152.5-132.9178.1-16400110.8
170D30.4Very low29.8Very low131 Ų131137 Ų13770%0.70178%0.782SS**  trans-93.9139.2-156.2-77.5-65.6000117.8
171I27.8Very low29.6Very low129 Ų129141.1 Ų141.166%0.66279%0.793SS**  38.2117.7127.8-49.8169.6000118.3
172L32.3Very low29.5Very low158 Ų158138 Ų13883%0.82779%0.788SS**  -168.7112.6115.4-101.1173.7000114
173N31.5Very low29.5Very low134 Ų134140.5 Ų140.572%0.71779%0.789SS**  trans-10.9147150.8-54.8-18.1000118
174S31.1Very low29.7Very low103 Ų103138.8 Ų138.872%0.7279%0.791SS**  cis-166.6-178.7-8.1-770000106.3
175S32.6Very low29.5Very low114 Ų114135.9 Ų135.980%0.79779%0.789SS**  cis-148.8169.520.2-64.70000110.9
176P47.6Very low29.6Very low109 Ų109135.6 Ų135.671%0.70879%0.792SS**  trans-116.9158.2-160.141.4-32.4000116.5
177N29.5Very low29.9Very low162 Ų162137.1 Ų137.187%0.86680%0.798SS**  -162.5152.8108-95-24.3000111.5
178Y25Very low30.4Very low223 Ų223136.7 Ų136.788%0.87580%0.795SS**  trans-154124.3-158.9-153.8-78.2000111.1
179S27.9Very low31Very low111 Ų111133.6 Ų133.678%0.77679%0.791SS**  trans-177.5138.1166.8-176.60000109.7
180M27.6Very low31.3Very low153 Ų153129.7 Ų129.775%0.75478%0.783SS**  cis-153.7127.5-19.7-110-60.1-151.400105.9
181N27.9Very low32Very low166 Ų166130.2 Ų130.289%0.88878%0.783SS**  trans-155.2111171.9-115.9-26.1000110.5
182A27.4Very low33.1Very low83 Ų83128.3 Ų128.369%0.68679%0.786SS**  trans-152.1112.2171.700000107.9
183T28.5Very low34.2Very low125 Ų125123 Ų12377%0.76777%0.769SS**  95.3145.976.1-63.70000111.4
184T29.8Very low35.3Very low145 Ų145117.9 Ų117.989%0.8974%0.742SS**  trans74.7139.9-169.177.80000114.7
185G25.9Very low36.7Very low79 Ų79114.4 Ų114.481%0.81472%0.723SS**  cis164.380.6-8.400000114.8
186S29.5Very low38.8Very low110 Ų110112.8 Ų112.877%0.76971%0.711SS**  trans-136.6120.5169.951.60000111.5S188S186-S188 PolarHBondContact O-N 3.44Å
187T30.5Very low40Very low152 Ų152109.5 Ų109.593%0.93369%0.687SS**  trans-82.593.1-173.6-1.80000111.6
188S34.5Very low42.4Very low103 Ų103104.4 Ų104.472%0.7266%0.661SS**PPolyproline II helixtrans-73137.5172.4-66.50000112S186 S190S186-S188 PolarHBondContact O-N 3.44Å; S188-S190 PolarHBondContact O-N 2.99Å
189P39.5Very low45.2Very low121 Ų12199.8 Ų99.879%0.78665%0.647SS**PPolyproline II helixtrans-63.4131.3176.9-22.333.7000112.7M191P189-M191 PolarHBondContact O-N 2.94Å
190S40.1Very low47.8Very low112 Ų11297.8 Ų97.878%0.78363%0.63SS**PPolyproline II helixtrans-65.2123-174.9570000113.4S188 A192S188-S190 PolarHBondContact O-N 2.99Å; S190-A192 VanDerWaalsContact C-N 3.27Å; S190-A192 PolarHBondContact O-N 3.34Å
191M44.8Very low50.6Low143 Ų14391.2 Ų91.270%0.70460%0.598SS**THydrogen-bonded Turntrans-72.8-1.4-174.3-82-76.1-7700116.5P189 G193 L194P189-M191 PolarHBondContact O-N 2.94Å; M191-G193 PolarHBondContact O-N 3.45Å; M191-L194 HydrophobicContact CE-CD1 3.75Å; M191-L194 HydrophobicContact SD-CD1 4.26Å
192A51.1Low53.5Low88 Ų8890.4 Ų90.473%0.72759%0.587SS**THydrogen-bonded Turntrans-56.4-25.6-167.700000115.6S190 L194S190-A192 VanDerWaalsContact C-N 3.27Å; S190-A192 PolarHBondContact O-N 3.34Å; A192-L194 PolarHBondContact O-N 3.21Å
193G55.1Low56.4Low46 Ų4689.4 Ų89.447%0.47458%0.578SS.*THydrogen-bonded Turntrans-81.235.7-178.400000116R140 M191R140-G193 PolarHBondContact NH1-O 2.94Å; R140-G193 PolarHBondContact NH2-O 3.38Å; M191-G193 PolarHBondContact O-N 3.45Å
194L55.7Low59.4Low27 Ų2784.5 Ų84.514%0.14155%0.548CS..THydrogen-bonded Turntrans-127.1-23.6172.5-80.7172.9000114L133 T136 R140 M191 A192 S196 E197 V198L133-L194 HydrophobicContact CD1-CD2 3.89Å; T136-L194 HydrophobicContact CG2-CD2 4.19Å; R140-L194 VanDerWaalsContact NH1-CG 3.28Å; M191-L194 HydrophobicContact CE-CD1 3.75Å; M191-L194 HydrophobicContact SD-CD1 4.26Å; A192-L194 PolarHBondContact O-N 3.21Å; L194-S196 PolarHBondContact O-N 3.27Å; L194-E197 PolarHBondContact O-N 2.86Å; L194-V198 WeakPolarHBondContact O-CG2 3.47Å; L194-V198 PolarHBondContact O-N 3.17Å
195G60.7Low62.3Low31 Ų3182 Ų8232%0.3252%0.524SS..Hα-helixtrans-54.7-50.7-174.800000112.7E197 V198 E199G195-E197 PolarHBondContact O-N 3.33Å; G195-V198 CarbonylContact O-C 3.43Å; G195-V198 WeakPolarHBondContact O-CB 3.3Å; G195-V198 PolarHBondContact O-N 2.9Å; G195-V198 VanDerWaalsContact O-N 3.12Å; G195-E199 WeakPolarHBondContact O-CB 3.27Å; G195-E199 WeakPolarHBondContact O-CG 3.32Å; G195-E199 PolarHBondContact O-N 3.03Å
196S76.1Confident65.4Low79 Ų7982.2 Ų82.255%0.55251%0.514SS*.Hα-helixtrans-63.8-35.2-178.5540000114.6L194 V198 E199 V200L194-S196 PolarHBondContact O-N 3.27Å; S196-V198 VanDerWaalsContact C-N 3.33Å; S196-E199 PolarHBondContact O-N 2.91Å; S196-V200 WeakPolarHBondContact O-CB 3.49Å; S196-V200 WeakPolarHBondContact O-CG2 3.4Å; S196-V200 PolarHBondContact O-N 3.24Å
197E72.6Confident68.3Low41 Ų4180.7 Ų80.719%0.19250%0.496CS..Hα-helixtrans-70.5-32.6176-165.3176.6-171.100111S132 L133 L194 G195 L201S132-E197 WeakPolarHBondContact CB-OE1 3.35Å; S132-E197 PolarHBondContact OG-OE1 3.37Å; L133-E197 HydrophobicContact CD1-CB 4Å; L133-E197 HydrophobicContact CD1-CG 3.89Å; L133-E197 PolarHBondContact N-OE1 2.93Å; L194-E197 PolarHBondContact O-N 2.86Å; G195-E197 PolarHBondContact O-N 3.33Å; E197-L201 WeakPolarHBondContact O-CB 3.31Å; E197-L201 PolarHBondContact O-N 2.82Å; E197-L201 VanDerWaalsContact O-N 3.14Å
198V80.2Confident71.3Confident55 Ų5575.7 Ų75.733%0.33346%0.461SS..Hα-helixtrans-73.3-40.6173.4175.90000111.8L133 L194 G195 S196 L201 K202L133-V198 HydrophobicContact CD1-CG2 3.93Å; L133-V198 HydrophobicContact CD2-CG2 3.89Å; L194-V198 WeakPolarHBondContact O-CG2 3.47Å; L194-V198 PolarHBondContact O-N 3.17Å; G195-V198 CarbonylContact O-C 3.43Å; G195-V198 WeakPolarHBondContact O-CB 3.3Å; G195-V198 PolarHBondContact O-N 2.9Å; G195-V198 VanDerWaalsContact O-N 3.12Å; S196-V198 VanDerWaalsContact C-N 3.33Å; V198-L201 PolarHBondContact O-N 2.98Å; V198-K202 WeakPolarHBondContact O-CG 3.5Å; V198-K202 PolarHBondContact O-N 2.92Å
199E83.2Confident74Confident125 Ų12574.9 Ų74.958%0.58445%0.447SS*.Hα-helixtrans-64-44.5176.4-74.1154.8-15600111.4G195 S196 L201 K202 A203G195-E199 WeakPolarHBondContact O-CB 3.27Å; G195-E199 WeakPolarHBondContact O-CG 3.32Å; G195-E199 PolarHBondContact O-N 3.03Å; S196-E199 PolarHBondContact O-N 2.91Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.09Å; E199-K202 PolarHBondContact O-N 3.24Å; E199-A203 WeakPolarHBondContact O-CB 3.31Å; E199-A203 PolarHBondContact O-N 2.96Å
200V82.8Confident76.4Confident69 Ų6974.4 Ų74.442%0.41843%0.434SS..Hα-helixtrans-59.3-42.6171.4169.10000111.1S196 K202 A203 L204S196-V200 WeakPolarHBondContact O-CB 3.49Å; S196-V200 WeakPolarHBondContact O-CG2 3.4Å; S196-V200 PolarHBondContact O-N 3.24Å; V200-K202 PolarHBondContact O-N 3.43Å; V200-A203 PolarHBondContact O-N 3.04Å; V200-L204 HydrophobicContact CG1-CD1 3.94Å; V200-L204 HydrophobicContact CG1-CG 4.3Å; V200-L204 WeakPolarHBondContact O-CB 3.42Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 3.2Å
201L86.5Confident78.9Confident16 Ų1670.6 Ų70.68%0.08440%0.403CS..Hα-helixtrans-65.4-36.9177-175.961.1000112.7V126 H129 E130 L133 E197 V198 E199 K205V126-L201 HydrophobicContact CG1-CD1 4.06Å; H129-L201 HydrophobicContact CB-CD1 3.92Å; E130-L201 HydrophobicContact CB-CD1 4.25Å; E130-L201 HydrophobicContact CB-CD2 3.94Å; E130-L201 HydrophobicContact CG-CD2 4.02Å; L133-L201 HydrophobicContact CD2-CD2 4.17Å; E197-L201 WeakPolarHBondContact O-CB 3.31Å; E197-L201 PolarHBondContact O-N 2.82Å; E197-L201 VanDerWaalsContact O-N 3.14Å; V198-L201 PolarHBondContact O-N 2.98Å; E199-L201 VanDerWaalsContact C-N 3.32Å; E199-L201 PolarHBondContact O-N 3.09Å; L201-K205 WeakPolarHBondContact O-CB 3.34Å; L201-K205 WeakPolarHBondContact O-CG 3.44Å; L201-K205 PolarHBondContact O-N 3.35Å
202K88.1Confident81.3Confident149 Ų14968.3 Ų68.365%0.64839%0.389SS*.Hα-helixtrans-63.5-47172.5-75.6-179.2177.1-176.10111.4V198 E199 V200 L204 K205 S206V198-K202 WeakPolarHBondContact O-CG 3.5Å; V198-K202 PolarHBondContact O-N 2.92Å; E199-K202 PolarHBondContact O-N 3.24Å; V200-K202 PolarHBondContact O-N 3.43Å; K202-L204 PolarHBondContact O-N 2.98Å; K202-K205 PolarHBondContact O-N 3.46Å; K202-S206 PolarHBondContact O-N 2.93Å
203A88.4Confident83.2Confident61 Ų6167 Ų6750%0.50437%0.372SS..Hα-helixtrans-61-43.8177.700000111.9E199 V200 K205 S206 L207E199-A203 WeakPolarHBondContact O-CB 3.31Å; E199-A203 PolarHBondContact O-N 2.96Å; V200-A203 PolarHBondContact O-N 3.04Å; A203-K205 PolarHBondContact O-N 3.13Å; A203-S206 PolarHBondContact O-N 3.16Å; A203-L207 WeakPolarHBondContact O-CB 3.34Å; A203-L207 PolarHBondContact O-N 3.45Å
204L91.6Very high84.8Confident23 Ų2367.3 Ų67.312%0.1236%0.363CS..Hα-helixtrans-63.7-39.1176-72.1174.5000112.8L125 V126 H129 V200 K202 L207 F208L125-L204 HydrophobicContact CD2-CD1 4.35Å; L125-L204 HydrophobicContact CD2-CD2 3.81Å; L125-L204 HydrophobicContact CG-CD1 4.21Å; L125-L204 HydrophobicContact CG-CD2 4.48Å; V126-L204 HydrophobicContact CG2-CB 3.77Å; H129-L204 HydrophobicContact CB-CD1 4.36Å; H129-L204 WeakPolarHBondContact ND1-CD1 3.29Å; V200-L204 HydrophobicContact CG1-CD1 3.94Å; V200-L204 HydrophobicContact CG1-CG 4.3Å; V200-L204 WeakPolarHBondContact O-CB 3.42Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.3Å; V200-L204 PolarHBondContact O-N 3.2Å; K202-L204 PolarHBondContact O-N 2.98Å; L204-L207 PolarHBondContact O-N 2.86Å; L204-F208 WeakPolarHBondContact O-CB 3.36Å; L204-F208 PolarHBondContact O-N 2.92Å
205K92.3Very high86.6Confident91 Ų9167.2 Ų67.240%0.39636%0.362SS..Hα-helixtrans-68.2-38.5175.4-75.3-175.8178.9-1710112.4V126 E130 L201 K202 A203 E209V126-K205 HydrophobicContact CG1-CD 4.19Å; V126-K205 VanDerWaalsContact CG1-CE 3.4Å; V126-K205 HydrophobicContact CG1-CG 3.65Å; V126-K205 HydrophobicContact CG2-CG 4.09Å; E130-K205 IonicContact OE2-NZ 2.72Å; E130-K205 PolarHBondContact OE2-NZ 3.16Å; L201-K205 WeakPolarHBondContact O-CB 3.34Å; L201-K205 WeakPolarHBondContact O-CG 3.44Å; L201-K205 PolarHBondContact O-N 3.35Å; K202-K205 PolarHBondContact O-N 3.46Å; A203-K205 PolarHBondContact O-N 3.13Å; K205-E209 PolarHBondContact O-N 2.96Å; K205-E209 VanDerWaalsContact O-N 3.12Å
206S89.4Confident88.1Confident85 Ų8571.5 Ų71.559%0.59437%0.374SS*.Hα-helixtrans-64.6-43.1173177.20000112.1K202 A203 F208 E209 H210K202-S206 PolarHBondContact O-N 2.93Å; A203-S206 PolarHBondContact O-N 3.16Å; S206-F208 PolarHBondContact O-N 3.47Å; S206-E209 PolarHBondContact O-N 2.86Å; S206-H210 PolarHBondContact O-N 3.12Å
207L90.3Very high88.9Confident77 Ų7773.9 Ų73.940%0.40338%0.375SS..Hα-helixtrans-62-41.8176.9-174.765.8000112.2L122 A203 L204 H210 H211L122-L207 HydrophobicContact CD1-CG 4.34Å; L122-L207 HydrophobicContact CD2-CD2 3.87Å; L122-L207 HydrophobicContact CD2-CG 4.39Å; A203-L207 WeakPolarHBondContact O-CB 3.34Å; A203-L207 PolarHBondContact O-N 3.45Å; L204-L207 PolarHBondContact O-N 2.86Å; L207-H210 PolarHBondContact O-N 3.38Å; L207-H211 PolarHBondContact O-N 3.41Å; L207-H211 VanDerWaalsContact O-N 3.14Å; L207-H211 PolarHBondContact O-ND1 3.03Å
208F93.9Very high90Very high47 Ų4772.3 Ų72.321%0.20637%0.368CS..Hα-helixtrans-60.5-50174.5174-96.7000111.9L119 L122 E123 L204 S206 H210 H211 K212L119-F208 HydrophobicContact CB-CE2 4.27Å; L119-F208 HydrophobicContact CD2-CD2 3.65Å; L119-F208 HydrophobicContact CD2-CE2 3.65Å; L119-F208 HydrophobicContact CD2-CG 4.34Å; L119-F208 HydrophobicContact CD2-CZ 4.34Å; L119-F208 WeakPolarHBondContact CD2-O 3.38Å; L122-F208 HydrophobicContact CB-CB 4.38Å; L122-F208 HydrophobicContact CB-CD2 3.9Å; E123-F208 HydrophobicContact CB-CD2 4.39Å; E123-F208 HydrophobicContact CB-CE2 3.82Å; E123-F208 HydrophobicContact CB-CZ 4.43Å; L204-F208 WeakPolarHBondContact O-CB 3.36Å; L204-F208 PolarHBondContact O-N 2.92Å; S206-F208 PolarHBondContact O-N 3.47Å; F208-H210 VanDerWaalsContact C-N 3.31Å; F208-H210 PolarHBondContact O-N 3.26Å; F208-H211 PolarHBondContact O-N 3.08Å; F208-H211 VanDerWaalsContact O-N 3.15Å; F208-K212 HydrophobicContact CE1-CD 4.26Å; F208-K212 PolarHBondContact O-N 3.46Å
209E91.9Very high90.6Very high87 Ų8773.2 Ų73.241%0.40737%0.368SS..Hα-helixtrans-65-35-179.1-165.162.1-15100111.9K205 S206 K212 V213K205-E209 PolarHBondContact O-N 2.96Å; K205-E209 VanDerWaalsContact O-N 3.12Å; S206-E209 PolarHBondContact O-N 2.86Å; E209-K212 WeakPolarHBondContact O-CB 3.38Å; E209-K212 PolarHBondContact O-N 3.5Å; E209-K212 IonicContact OE1-NZ 2.65Å; E209-K212 PolarHBondContact OE1-NZ 3.04Å; E209-K212 IonicContact OE2-NZ 3.26Å; E209-K212 PolarHBondContact OE2-NZ 3.47Å; E209-V213 WeakPolarHBondContact O-CG2 3.3Å; E209-V213 PolarHBondContact O-N 2.9Å; E209-V213 VanDerWaalsContact O-N 3.08Å
210H90Very high91Very high111 Ų11170.2 Ų70.251%0.51436%0.356SS..Hα-helixtrans-61.2-44.7171.5-177.8-95.7000112.6S206 L207 F208 K212 V213 L214S206-H210 PolarHBondContact O-N 3.12Å; L207-H210 PolarHBondContact O-N 3.38Å; F208-H210 VanDerWaalsContact C-N 3.31Å; F208-H210 PolarHBondContact O-N 3.26Å; H210-K212 VanDerWaalsContact C-N 3.29Å; H210-K212 PolarHBondContact O-N 3.23Å; H210-V213 PolarHBondContact O-N 2.78Å; H210-L214 WeakPolarHBondContact O-CG 3.19Å; H210-L214 PolarHBondContact O-N 3.07Å
211H93Very high91.5Very high32 Ų3274.8 Ų74.815%0.14837%0.366CS..Hα-helixtrans-68.4-29.3177.8-75.272.8000112.5M115 L118 L119 L122 L207 F208 L214 D215M115-H211 HydrophobicContact SD-CB 3.86Å; L118-H211 VanDerWaalsContact CD2-CD2 3.46Å; L118-H211 WeakPolarHBondContact CD2-CD2 3.47Å; L119-H211 HydrophobicContact CD2-CB 3.73Å; L119-H211 HydrophobicContact CG-CB 4.22Å; L122-H211 HydrophobicContact CD1-CB 4.37Å; L207-H211 PolarHBondContact O-N 3.41Å; L207-H211 VanDerWaalsContact O-N 3.14Å; L207-H211 PolarHBondContact O-ND1 3.03Å; F208-H211 PolarHBondContact O-N 3.08Å; F208-H211 VanDerWaalsContact O-N 3.15Å; H211-L214 WeakPolarHBondContact O-CB 3.43Å; H211-L214 PolarHBondContact O-N 3.12Å; H211-D215 PolarHBondContact O-N 3.2Å
212K93.5Very high91.9Very high94 Ų9474.6 Ų74.641%0.40937%0.365SS..Hα-helixtrans-68.1-40.4174.9175.4173.1158.3-121.30111.7L119 F208 E209 H210 L214 D215 E216L119-K212 HydrophobicContact CD2-CB 4.09Å; F208-K212 HydrophobicContact CE1-CD 4.26Å; F208-K212 PolarHBondContact O-N 3.46Å; E209-K212 WeakPolarHBondContact O-CB 3.38Å; E209-K212 PolarHBondContact O-N 3.5Å; E209-K212 IonicContact OE1-NZ 2.65Å; E209-K212 PolarHBondContact OE1-NZ 3.04Å; E209-K212 IonicContact OE2-NZ 3.26Å; E209-K212 PolarHBondContact OE2-NZ 3.47Å; H210-K212 VanDerWaalsContact C-N 3.29Å; H210-K212 PolarHBondContact O-N 3.23Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.37Å; K212-D215 PolarHBondContact O-N 2.92Å; K212-E216 PolarHBondContact O-N 2.75Å
213V92Very high92.1Very high60 Ų6073.3 Ų73.336%0.36436%0.356SS..Hα-helixtrans-67.2-27.4170.31740000112.1E209 H210 K217E209-V213 WeakPolarHBondContact O-CG2 3.3Å; E209-V213 PolarHBondContact O-N 2.9Å; E209-V213 VanDerWaalsContact O-N 3.08Å; H210-V213 PolarHBondContact O-N 2.78Å; V213-K217 WeakPolarHBondContact O-CG 2.87Å; V213-K217 PolarHBondContact O-N 3.3Å
214L89.2Confident92.4Very high54 Ų5474.6 Ų74.628%0.28336%0.357SS..Hα-helixtrans-72.2-43.6171-69.3175.6000112.5M115 H210 H211 K212 E216 K217 V218M115-L214 HydrophobicContact CE-CB 3.78Å; M115-L214 HydrophobicContact CE-CD1 4.14Å; M115-L214 HydrophobicContact SD-CB 4.14Å; H210-L214 WeakPolarHBondContact O-CG 3.19Å; H210-L214 PolarHBondContact O-N 3.07Å; H211-L214 WeakPolarHBondContact O-CB 3.43Å; H211-L214 PolarHBondContact O-N 3.12Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.37Å; L214-E216 VanDerWaalsContact C-N 3.27Å; L214-E216 PolarHBondContact O-N 2.95Å; L214-K217 PolarHBondContact O-N 3.27Å; L214-K217 VanDerWaalsContact O-N 3.08Å; L214-V218 WeakPolarHBondContact O-CG2 3.05Å; L214-V218 PolarHBondContact O-N 2.87Å
215D93.6Very high92.4Very high25 Ų2573.9 Ų73.913%0.13435%0.354CS..Hα-helixtrans-56.9-42.2174.9-168.880.3000111.5R112 M115 L119 H211 K212 K217 V218 H219R112-D215 WeakPolarHBondContact CG-OD1 3.22Å; R112-D215 IonicContact CZ-OD2 2.69Å; R112-D215 IonicContact NE-OD1 2.85Å; R112-D215 IonicContact NE-OD2 3.17Å; R112-D215 PolarHBondContact NE-OD2 2.79Å; R112-D215 IonicContact NH2-OD2 2.71Å; R112-D215 PolarHBondContact NH2-OD2 2.87Å; M115-D215 HydrophobicContact CG-CB 3.77Å; L119-D215 HydrophobicContact CD1-CB 4.05Å; H211-D215 PolarHBondContact O-N 3.2Å; K212-D215 PolarHBondContact O-N 2.92Å; D215-K217 VanDerWaalsContact C-N 3.32Å; D215-K217 PolarHBondContact O-N 3.42Å; D215-V218 PolarHBondContact O-N 3.37Å; D215-H219 VanDerWaalsContact O-CB 3.22Å; D215-H219 WeakPolarHBondContact O-CB 3.49Å; D215-H219 PolarHBondContact O-N 3.3Å
216E92.5Very high92.4Very high120 Ų12073 Ų7356%0.56135%0.351SS*.Hα-helixtrans-64.2-34.7177.5-170.4175.3-175.800112.7K212 L214 N220K212-E216 PolarHBondContact O-N 2.75Å; L214-E216 VanDerWaalsContact C-N 3.27Å; L214-E216 PolarHBondContact O-N 2.95Å; E216-N220 WeakPolarHBondContact O-CB 3.38Å; E216-N220 PolarHBondContact O-N 3.32Å; E216-N220 PolarHBondContact O-ND2 2.98Å
217K92.4Very high92.6Very high130 Ų13073 Ų7357%0.56535%0.345SS*.Hα-helixtrans-70.9-44174.3-74.5170.9-179.7176.50112.1V213 L214 D215 N220 R221V213-K217 WeakPolarHBondContact O-CG 2.87Å; V213-K217 PolarHBondContact O-N 3.3Å; L214-K217 PolarHBondContact O-N 3.27Å; L214-K217 VanDerWaalsContact O-N 3.08Å; D215-K217 VanDerWaalsContact C-N 3.32Å; D215-K217 PolarHBondContact O-N 3.42Å; K217-N220 PolarHBondContact O-N 3.39Å; K217-R221 PolarHBondContact O-N 2.99Å
218V94.8Very high92.6Very high8 Ų873 Ų735%0.04834%0.342CS..Hα-helixtrans-63.7-42.9175.5176.80000110.3L108 E111 R112 L214 D215 N220 R221 L222L108-V218 HydrophobicContact CD2-CG1 4.2Å; E111-V218 HydrophobicContact CB-CG1 4.16Å; E111-V218 HydrophobicContact CG-CG1 4.13Å; E111-V218 HydrophobicContact CG-CG2 4.06Å; R112-V218 HydrophobicContact CB-CG1 3.95Å; L214-V218 WeakPolarHBondContact O-CG2 3.05Å; L214-V218 PolarHBondContact O-N 2.87Å; D215-V218 PolarHBondContact O-N 3.37Å; V218-N220 PolarHBondContact O-N 2.92Å; V218-R221 PolarHBondContact O-N 3.3Å; V218-L222 WeakPolarHBondContact O-CB 3.47Å; V218-L222 PolarHBondContact O-N 2.87Å
219H92.3Very high92.6Very high73 Ų7371.5 Ų71.534%0.33834%0.336SS..Hα-helixtrans-61.1-42175.3-177.217.5000112.5R112 D215 L222 R223R112-H219 VanDerWaalsContact CZ-CG 3.44Å; R112-H219 PolarHBondContact NH1-CE1 3.37Å; R112-H219 PolarHBondContact NH1-ND1 3.32Å; R112-H219 PolarHBondContact NH2-CD2 2.96Å; D215-H219 VanDerWaalsContact O-CB 3.22Å; D215-H219 WeakPolarHBondContact O-CB 3.49Å; D215-H219 PolarHBondContact O-N 3.3Å; H219-L222 PolarHBondContact O-N 3.44Å; H219-R223 WeakPolarHBondContact O-CB 3.42Å; H219-R223 PolarHBondContact O-N 2.78Å
220N93.1Very high92.4Very high63 Ų6370 Ų7034%0.33733%0.334SS..Hα-helixtrans-68.3-36.1176.2-87.3-69.7000112.7E216 K217 V218 R223 V224E216-N220 WeakPolarHBondContact O-CB 3.38Å; E216-N220 PolarHBondContact O-N 3.32Å; E216-N220 PolarHBondContact O-ND2 2.98Å; K217-N220 PolarHBondContact O-N 3.39Å; V218-N220 PolarHBondContact O-N 2.92Å; N220-R223 PolarHBondContact O-N 3.49Å; N220-R223 PolarHBondContact OD1-NH2 2.92Å; N220-R223 VanDerWaalsContact OD1-NH2 3.1Å; N220-V224 WeakPolarHBondContact O-CG2 3.24Å; N220-V224 PolarHBondContact O-N 2.82Å
221R93.7Very high92.5Very high164 Ų16469.3 Ų69.362%0.61933%0.333SS*.Hα-helixtrans-60.3-54.1170.1-77.9-179.5169.1-178.5-5.6111.2L108 K217 V218 R223 V224 S225L108-R221 HydrophobicContact CD1-CB 4.16Å; L108-R221 HydrophobicContact CD2-CB 4.02Å; K217-R221 PolarHBondContact O-N 2.99Å; V218-R221 PolarHBondContact O-N 3.3Å; R221-R223 PolarHBondContact O-N 3.2Å; R221-V224 WeakPolarHBondContact O-CA 3.43Å; R221-V224 WeakPolarHBondContact O-CB 3.47Å; R221-V224 PolarHBondContact O-N 2.93Å; R221-S225 PolarHBondContact O-N 2.68Å; R221-S225 PolarHBondContact O-OG 3.29Å
222L94.3Very high92.4Very high12 Ų1267.8 Ų67.86%0.06333%0.326CS..Hα-helixtrans-51.1-44.3178177.559.2000111.9I105 L108 K109 V218 H219 V224 S225 Q226I105-L222 HydrophobicContact CB-CD1 4.34Å; I105-L222 HydrophobicContact CG1-CD1 4.33Å; I105-L222 HydrophobicContact CG2-CD1 3.95Å; L108-L222 HydrophobicContact CB-CB 4.17Å; L108-L222 HydrophobicContact CB-CD1 4.02Å; K109-L222 HydrophobicContact CG-CD1 4.07Å; K109-L222 HydrophobicContact CG-CD2 4.18Å; V218-L222 WeakPolarHBondContact O-CB 3.47Å; V218-L222 PolarHBondContact O-N 2.87Å; H219-L222 PolarHBondContact O-N 3.44Å; L222-V224 VanDerWaalsContact C-N 3.35Å; L222-V224 PolarHBondContact O-N 3.13Å; L222-S225 PolarHBondContact O-N 3.26Å; L222-Q226 HydrophobicContact CD1-CG 4.19Å; L222-Q226 WeakPolarHBondContact O-CB 3.13Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.45Å; L222-Q226 PolarHBondContact O-N 2.98Å
223R92.4Very high92.1Very high122 Ų12268.2 Ų68.246%0.4633%0.33SS..Hα-helixtrans-64-34.3176.8-172.417764.682.8-0.2113.5H219 N220 R221 N227H219-R223 WeakPolarHBondContact O-CB 3.42Å; H219-R223 PolarHBondContact O-N 2.78Å; N220-R223 PolarHBondContact O-N 3.49Å; N220-R223 PolarHBondContact OD1-NH2 2.92Å; N220-R223 VanDerWaalsContact OD1-NH2 3.1Å; R221-R223 PolarHBondContact O-N 3.2Å; R223-N227 VanDerWaalsContact O-CG 3.26Å; R223-N227 PolarHBondContact O-N 3.45Å; R223-N227 PolarHBondContact O-OD1 3.22Å
224V93.4Very high91.9Very high88 Ų8870.5 Ų70.553%0.53334%0.34SS..Hα-helixtrans-72.3-45.1175.8170.80000110.7N220 R221 L222 N227 K228N220-V224 WeakPolarHBondContact O-CG2 3.24Å; N220-V224 PolarHBondContact O-N 2.82Å; R221-V224 WeakPolarHBondContact O-CA 3.43Å; R221-V224 WeakPolarHBondContact O-CB 3.47Å; R221-V224 PolarHBondContact O-N 2.93Å; L222-V224 VanDerWaalsContact C-N 3.35Å; L222-V224 PolarHBondContact O-N 3.13Å; V224-N227 PolarHBondContact O-N 3.39Å; V224-K228 PolarHBondContact O-N 3.2Å
225S92.4Very high91.9Very high8 Ų872.5 Ų72.56%0.05635%0.348CS..Hα-helixtrans-66.3-39.6179.9-46.10000111.6E104 R221 L222 N227 K228 V229E104-S225 WeakPolarHBondContact OE1-CB 3.34Å; E104-S225 PolarHBondContact OE1-OG 3.4Å; R221-S225 PolarHBondContact O-N 2.68Å; R221-S225 PolarHBondContact O-OG 3.29Å; L222-S225 PolarHBondContact O-N 3.26Å; S225-N227 PolarHBondContact O-N 2.94Å; S225-K228 PolarHBondContact O-N 3.1Å; S225-K228 VanDerWaalsContact O-N 3.15Å; S225-V229 PolarHBondContact O-N 3.45Å
226Q93.4Very high91.5Very high72 Ų7272.1 Ų72.134%0.33635%0.346SS..Hα-helixtrans-58-45.4171.2-76-178.3-74.300112.7I105 L222 K228 V229 T230I105-Q226 HydrophobicContact CD1-CB 4.4Å; I105-Q226 HydrophobicContact CD1-CG 3.94Å; I105-Q226 HydrophobicContact CG1-CG 4.18Å; I105-Q226 HydrophobicContact CG2-CG 4.45Å; L222-Q226 HydrophobicContact CD1-CG 4.19Å; L222-Q226 WeakPolarHBondContact O-CB 3.13Å; L222-Q226 VanDerWaalsContact O-CG 3.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.45Å; L222-Q226 PolarHBondContact O-N 2.98Å; Q226-K228 VanDerWaalsContact C-N 3.32Å; Q226-K228 PolarHBondContact O-N 3.45Å; Q226-V229 PolarHBondContact O-N 3.27Å; Q226-T230 PolarHBondContact O-N 3Å
227N91.9Very high90.9Very high87 Ų8772.8 Ų72.847%0.46535%0.347SS..Hα-helixtrans-61.6-40.9174.5-72.2-2.3000111.6R223 V224 S225 V229 T230 D231R223-N227 VanDerWaalsContact O-CG 3.26Å; R223-N227 PolarHBondContact O-N 3.45Å; R223-N227 PolarHBondContact O-OD1 3.22Å; V224-N227 PolarHBondContact O-N 3.39Å; S225-N227 PolarHBondContact O-N 2.94Å; N227-V229 VanDerWaalsContact C-N 3.31Å; N227-V229 PolarHBondContact O-N 3.44Å; N227-T230 PolarHBondContact O-N 3.43Å; N227-T230 PolarHBondContact O-OG1 2.97Å; N227-D231 PolarHBondContact O-N 3.21Å
228K91.5Very high90.4Very high76 Ų7670.9 Ų70.933%0.3334%0.34SS..Hα-helixtrans-69-28.4-180-177.254.8-169.9153.80113R101 V224 S225 Q226 D231 L232R101-K228 HydrophobicContact CG-CG 4.41Å; V224-K228 PolarHBondContact O-N 3.2Å; S225-K228 PolarHBondContact O-N 3.1Å; S225-K228 VanDerWaalsContact O-N 3.15Å; Q226-K228 VanDerWaalsContact C-N 3.32Å; Q226-K228 PolarHBondContact O-N 3.45Å; K228-D231 HydrophobicContact CD-CB 4.29Å; K228-L232 HydrophobicContact CD-CG 4.39Å; K228-L232 HydrophobicContact CG-CD1 4.35Å; K228-L232 WeakPolarHBondContact O-CG 3.32Å; K228-L232 PolarHBondContact O-N 3.25Å; K228-L232 VanDerWaalsContact O-N 3.12Å
229V92.7Very high89.7Confident15 Ų1571.8 Ų71.89%0.09134%0.344CS..Hα-helixtrans-61.1-50.8167.91600000110.6L98 R101 I105 S225 Q226 N227 D231 L232 E233L98-V229 HydrophobicContact CD1-CB 4.38Å; L98-V229 HydrophobicContact CD1-CG1 3.92Å; L98-V229 HydrophobicContact CD1-CG2 4.27Å; R101-V229 HydrophobicContact CB-CG2 3.55Å; I105-V229 HydrophobicContact CD1-CB 4.12Å; I105-V229 HydrophobicContact CD1-CG2 3.45Å; I105-V229 VanDerWaalsContact CD1-CG2 3.45Å; S225-V229 PolarHBondContact O-N 3.45Å; Q226-V229 PolarHBondContact O-N 3.27Å; N227-V229 VanDerWaalsContact C-N 3.31Å; N227-V229 PolarHBondContact O-N 3.44Å; V229-D231 VanDerWaalsContact C-N 3.28Å; V229-D231 PolarHBondContact O-N 3.05Å; V229-L232 PolarHBondContact O-N 3.09Å; V229-E233 HydrophobicContact CG1-CG 4.28Å; V229-E233 WeakPolarHBondContact O-CG 3.4Å; V229-E233 PolarHBondContact O-N 3.29Å
230T89.3Confident89.1Confident57 Ų5772.5 Ų72.535%0.3535%0.347SS..Hα-helixtrans-64.8-31.4-178.664.70000112.6Q226 N227 N234Q226-T230 PolarHBondContact O-N 3Å; N227-T230 PolarHBondContact O-N 3.43Å; N227-T230 PolarHBondContact O-OG1 2.97Å; T230-N234 PolarHBondContact O-N 3.42Å; T230-N234 PolarHBondContact O-ND2 3.27Å
231D91.4Very high88.2Confident95 Ų9576 Ų7651%0.50836%0.355SS..Hα-helixtrans-61.6-47.1169-71.1-31000112.2N227 K228 V229 N234 E235N227-D231 PolarHBondContact O-N 3.21Å; K228-D231 HydrophobicContact CD-CB 4.29Å; V229-D231 VanDerWaalsContact C-N 3.28Å; V229-D231 PolarHBondContact O-N 3.05Å; D231-N234 PolarHBondContact O-N 2.97Å; D231-E235 PolarHBondContact O-N 3.35Å
232L90.8Very high87Confident1 Ų170.4 Ų70.41%0.00534%0.341CS..Hα-helixtrans-68.1-35.5-178.9-72.9169000112.5V94 Q97 L98 R101 K228 V229 N234 E235 L236V94-L232 HydrophobicContact CG1-CD2 4.29Å; Q97-L232 HydrophobicContact CB-CD1 4.17Å; Q97-L232 HydrophobicContact CB-CD2 4.37Å; L98-L232 HydrophobicContact CD1-CB 4.05Å; R101-L232 HydrophobicContact CG-CD1 3.87Å; K228-L232 HydrophobicContact CD-CG 4.39Å; K228-L232 HydrophobicContact CG-CD1 4.35Å; K228-L232 WeakPolarHBondContact O-CG 3.32Å; K228-L232 PolarHBondContact O-N 3.25Å; K228-L232 VanDerWaalsContact O-N 3.12Å; V229-L232 PolarHBondContact O-N 3.09Å; L232-N234 VanDerWaalsContact C-N 3.33Å; L232-E235 PolarHBondContact O-N 3.33Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 PolarHBondContact O-N 3.41Å
233E87.5Confident85.6Confident103 Ų10372.7 Ų72.748%0.48135%0.351SS..Hα-helixtrans-62.7-40173.7-70.1-177.1127.200112L98 V229 L236 F237L98-E233 HydrophobicContact CD1-CG 3.86Å; L98-E233 HydrophobicContact CD2-CG 4.22Å; V229-E233 HydrophobicContact CG1-CG 4.28Å; V229-E233 WeakPolarHBondContact O-CG 3.4Å; V229-E233 PolarHBondContact O-N 3.29Å; E233-L236 PolarHBondContact O-N 3.36Å; E233-F237 WeakPolarHBondContact O-CB 3.32Å; E233-F237 PolarHBondContact O-N 2.94Å
234N87Confident83.9Confident107 Ų10772 Ų7257%0.57236%0.355SS*.Hα-helixtrans-67.5-41.7175.5-78-64.2000112.1T230 D231 L232 F237 E238T230-N234 PolarHBondContact O-N 3.42Å; T230-N234 PolarHBondContact O-ND2 3.27Å; D231-N234 PolarHBondContact O-N 2.97Å; L232-N234 VanDerWaalsContact C-N 3.33Å; N234-F237 PolarHBondContact O-N 3.3Å; N234-E238 PolarHBondContact O-N 2.62Å
235E89.5Confident81.8Confident97 Ų9772.8 Ų72.845%0.45336%0.356SS..Hα-helixtrans-62.5-44.3173.7-176.3170.1-175.300111.5V94 D231 L232 F237 E238 L239V94-E235 HydrophobicContact CG2-CG 4.38Å; D231-E235 PolarHBondContact O-N 3.35Å; L232-E235 PolarHBondContact O-N 3.33Å; E235-F237 VanDerWaalsContact C-N 3.29Å; E235-F237 PolarHBondContact O-N 2.67Å; E235-E238 PolarHBondContact O-N 3.27Å; E235-L239 HydrophobicContact CG-CD1 4.28Å; E235-L239 WeakPolarHBondContact O-CG 3.19Å; E235-L239 PolarHBondContact O-N 2.89Å
236L84.4Confident79.9Confident16 Ų1674.5 Ų74.58%0.08437%0.368CS..Hα-helixtrans-60.9-37.8176.7-17364.1000112.3L91 V94 E95 L98 L232 E233 L239 K240L91-L236 HydrophobicContact CD1-CD1 3.61Å; L91-L236 HydrophobicContact CG-CD1 4.43Å; V94-L236 HydrophobicContact CB-CD1 4.38Å; V94-L236 HydrophobicContact CG1-CB 3.93Å; V94-L236 HydrophobicContact CG1-CD1 4.09Å; E95-L236 HydrophobicContact CG-CD1 3.46Å; E95-L236 VanDerWaalsContact CG-CD1 3.46Å; E95-L236 HydrophobicContact CG-CD2 4.05Å; E95-L236 HydrophobicContact CG-CG 4.41Å; L98-L236 HydrophobicContact CD2-CD2 3.81Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 PolarHBondContact O-N 3.41Å; E233-L236 PolarHBondContact O-N 3.36Å; L236-L239 PolarHBondContact O-N 3.36Å; L236-K240 HydrophobicContact CD1-CD 4.43Å; L236-K240 HydrophobicContact CG-CD 4.15Å; L236-K240 WeakPolarHBondContact O-CB 3.18Å; L236-K240 VanDerWaalsContact O-CG 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.37Å; L236-K240 PolarHBondContact O-N 3.32Å
237F81.2Confident77.6Confident135 Ų13575.5 Ų75.559%0.59238%0.383SS*.Hα-helixtrans-63-47176.6-176.1-96.4000111.9E233 N234 E235 K240 R241E233-F237 WeakPolarHBondContact O-CB 3.32Å; E233-F237 PolarHBondContact O-N 2.94Å; N234-F237 PolarHBondContact O-N 3.3Å; E235-F237 VanDerWaalsContact C-N 3.29Å; E235-F237 PolarHBondContact O-N 2.67Å; F237-K240 PolarHBondContact O-N 2.84Å; F237-R241 VanDerWaalsContact O-CB 3.29Å; F237-R241 WeakPolarHBondContact O-CB 3.41Å; F237-R241 PolarHBondContact O-N 3.39Å
238E81.6Confident75.1Confident89 Ų8975.6 Ų75.642%0.41639%0.39SS..Hα-helixtrans-71.5-31.2177.9-71.7-62.2141.300113N234 E235 R241 S242N234-E238 PolarHBondContact O-N 2.62Å; E235-E238 PolarHBondContact O-N 3.27Å; E238-R241 PolarHBondContact O-N 2.75Å; E238-R241 WeakPolarHBondContact OE1-CD 3.28Å; E238-R241 IonicContact OE1-CZ 3.37Å; E238-R241 IonicContact OE1-NE 3.7Å; E238-R241 IonicContact OE1-NH1 3.3Å; E238-R241 PolarHBondContact OE1-NH1 3.01Å; E238-R241 WeakPolarHBondContact OE2-CD 3.49Å; E238-R241 IonicContact OE2-CZ 2.75Å; E238-R241 IonicContact OE2-NE 3.81Å; E238-R241 IonicContact OE2-NH1 2.72Å; E238-R241 PolarHBondContact OE2-NH1 3.21Å; E238-S242 WeakPolarHBondContact O-CB 3.31Å; E238-S242 PolarHBondContact O-N 2.88Å; E238-S242 PolarHBondContact O-OG 3.03Å
239L79.4Confident72.4Confident27 Ų2777.4 Ų77.414%0.14141%0.408CS..Hα-helixtrans-65.2-42.3169.5-74.7174.6000112.4M87 L91 V94 E235 L236 S242 K243M87-L239 HydrophobicContact CE-CD2 4.02Å; L91-L239 HydrophobicContact CD1-CB 4.06Å; V94-L239 HydrophobicContact CB-CD1 4.17Å; V94-L239 HydrophobicContact CG2-CD1 3.68Å; E235-L239 HydrophobicContact CG-CD1 4.28Å; E235-L239 WeakPolarHBondContact O-CG 3.19Å; E235-L239 PolarHBondContact O-N 2.89Å; L236-L239 PolarHBondContact O-N 3.36Å; L239-S242 WeakPolarHBondContact CA-OG 3.32Å; L239-S242 PolarHBondContact O-OG 3.18Å; L239-S242 VanDerWaalsContact O-OG 3.06Å; L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 3.45Å; L239-K243 VanDerWaalsContact O-N 3.17Å
240K79.5Confident69.6Low89 Ų8981 Ų8139%0.38744%0.44SS..Hα-helixtrans-66-39175.2-73175.3179.91720111.5L91 E95 L236 F237 I244L91-K240 HydrophobicContact CD1-CD 4.36Å; L91-K240 HydrophobicContact CD1-CG 3.56Å; E95-K240 WeakPolarHBondContact OE1-CE 3.48Å; E95-K240 IonicContact OE1-NZ 2.93Å; E95-K240 PolarHBondContact OE1-NZ 3.12Å; L236-K240 HydrophobicContact CD1-CD 4.43Å; L236-K240 HydrophobicContact CG-CD 4.15Å; L236-K240 WeakPolarHBondContact O-CB 3.18Å; L236-K240 VanDerWaalsContact O-CG 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.37Å; L236-K240 PolarHBondContact O-N 3.32Å; F237-K240 PolarHBondContact O-N 2.84Å; K240-I244 WeakPolarHBondContact O-CG1 3.48Å
241R74.4Confident66.8Low136 Ų13685.9 Ų85.951%0.51346%0.463SS..Hα-helixtrans-65.8-46176.8-176178.3173.8-144.24.7112.9F237 E238 I244F237-R241 VanDerWaalsContact O-CB 3.29Å; F237-R241 WeakPolarHBondContact O-CB 3.41Å; F237-R241 PolarHBondContact O-N 3.39Å; E238-R241 PolarHBondContact O-N 2.75Å; E238-R241 WeakPolarHBondContact OE1-CD 3.28Å; E238-R241 IonicContact OE1-CZ 3.37Å; E238-R241 IonicContact OE1-NE 3.7Å; E238-R241 IonicContact OE1-NH1 3.3Å; E238-R241 PolarHBondContact OE1-NH1 3.01Å; E238-R241 WeakPolarHBondContact OE2-CD 3.49Å; E238-R241 IonicContact OE2-CZ 2.75Å; E238-R241 IonicContact OE2-NE 3.81Å; E238-R241 IonicContact OE2-NH1 2.72Å; E238-R241 PolarHBondContact OE2-NH1 3.21Å; R241-I244 PolarHBondContact O-N 2.96Å
242S68.5Low63.7Low47 Ų4789 Ų8933%0.32948%0.478SS..Hα-helixtrans-66.3-37.3179.150.40000112.7M87 E238 L239 I244 N245 S246M87-S242 VanDerWaalsContact CE-OG 3.31Å; M87-S242 WeakPolarHBondContact CE-OG 3.45Å; E238-S242 WeakPolarHBondContact O-CB 3.31Å; E238-S242 PolarHBondContact O-N 2.88Å; E238-S242 PolarHBondContact O-OG 3.03Å; L239-S242 WeakPolarHBondContact CA-OG 3.32Å; L239-S242 PolarHBondContact O-OG 3.18Å; L239-S242 VanDerWaalsContact O-OG 3.06Å; S242-I244 PolarHBondContact O-N 3.4Å; S242-N245 PolarHBondContact O-N 3.5Å; S242-N245 VanDerWaalsContact O-N 3.12Å; S242-S246 PolarHBondContact O-N 3.1Å
243K64.9Low60.6Low60 Ų6094.3 Ų94.326%0.26152%0.515SS..Hα-helixtrans-61.8-24.6174.3-170.8171.7-173.8169.70114.3M87 S88 L91 L239 S246M87-K243 HydrophobicContact CE-CB 4.42Å; S88-K243 PolarHBondContact OG-NZ 2.89Å; L91-K243 HydrophobicContact CD2-CD 4.25Å; L239-K243 WeakPolarHBondContact O-CB 3.49Å; L239-K243 PolarHBondContact O-N 3.45Å; L239-K243 VanDerWaalsContact O-N 3.17Å; K243-S246 PolarHBondContact O-OG 3.29Å
244I57.4Low57.7Low108 Ų10895.4 Ų95.455%0.55452%0.524SS*.Hα-helixtrans-75.6-41.5173.6-66.5165.9000110.5K240 R241 S242 S246 S247 S248K240-I244 WeakPolarHBondContact O-CG1 3.48Å; R241-I244 PolarHBondContact O-N 2.96Å; S242-I244 PolarHBondContact O-N 3.4Å; I244-S246 PolarHBondContact O-N 3.48Å; I244-S247 PolarHBondContact O-N 2.86Å; I244-S247 PolarHBondContact O-OG 3.38Å; I244-S248 PolarHBondContact O-OG 3.16Å
245N49.9Very low55Low103 Ų10396.7 Ų96.755%0.55153%0.531SS*.Hα-helixtrans-64.6-41.7-175.6-68.8-20000112.7S242 S247 S248S242-N245 PolarHBondContact O-N 3.5Å; S242-N245 VanDerWaalsContact O-N 3.12Å; N245-S247 VanDerWaalsContact C-N 3.27Å; N245-S247 PolarHBondContact O-N 3.31Å; N245-S248 PolarHBondContact O-N 2.99Å; N245-S248 VanDerWaalsContact O-N 3.15Å
246S51.8Low52.1Low45 Ų4599.5 Ų99.532%0.31555%0.549SS..Hα-helixtrans-61.7-33.3177.553.20000113S242 K243 I244 S248 T249S242-S246 PolarHBondContact O-N 3.1Å; K243-S246 PolarHBondContact O-OG 3.29Å; I244-S246 PolarHBondContact O-N 3.48Å; S246-S248 PolarHBondContact O-N 3.08Å; S246-T249 PolarHBondContact O-OG1 2.96Å
247S44.2Very low49.4Very low92 Ų92106.2 Ų106.264%0.64359%0.585SS**THydrogen-bonded Turntrans-68.1-14177.775.70000114.6I244 N245I244-S247 PolarHBondContact O-N 2.86Å; I244-S247 PolarHBondContact O-OG 3.38Å; N245-S247 VanDerWaalsContact C-N 3.27Å; N245-S247 PolarHBondContact O-N 3.31Å
248S39.8Very low46.9Very low89 Ų89107.5 Ų107.562%0.62260%0.596SS**THydrogen-bonded Turntrans-98.1-11.3-169.7-620000114.9I244 N245 S246I244-S248 PolarHBondContact O-OG 3.16Å; N245-S248 PolarHBondContact O-N 2.99Å; N245-S248 VanDerWaalsContact O-N 3.15Å; S246-S248 PolarHBondContact O-N 3.08Å
249T36.1Very low44.2Very low114 Ų114111.7 Ų111.770%0.69962%0.615SS**SBendtrans-96.6-9.7-171.3460000115.3S246 N251S246-T249 PolarHBondContact O-OG1 2.96Å; T249-N251 VanDerWaalsContact C-N 3.29Å; T249-N251 PolarHBondContact O-N 2.79Å; T249-N251 VanDerWaalsContact O-N 3.15Å
250A34Very low41.7Very low92 Ų92121.8 Ų121.876%0.7665%0.652SS**  trans-81.817.9-170.800000116.4
251N29.3Very low39.2Very low158 Ų158122.3 Ų122.385%0.84566%0.662SS**  trans-123.132.6-171.7-99.7-30.3000114.6T249T249-N251 VanDerWaalsContact C-N 3.29Å; T249-N251 PolarHBondContact O-N 2.79Å; T249-N251 VanDerWaalsContact O-N 3.15Å
252I26.6Very low36.8Very low160 Ų160120.9 Ų120.982%0.82166%0.663SS**  trans-131.887169.7-53.6179.8000110.1
253C25.7Very low34.9Very low114 Ų114127 Ų12777%0.7769%0.69SS**  trans-167.7134141-115.20000114.5
254N27.6Very low33.1Very low126 Ų126128.2 Ų128.267%0.67471%0.706SS**  trans78.1135.8141.1-81.547.8000125.6
255D28.8Very low31.6Very low133 Ų133127.9 Ų127.971%0.71171%0.713SS**  trans76.266.9141.7-54.2-24.6000121N257D255-N257 PolarHBondContact O-N 3.11Å
256N28.1Very low30.5Very low157 Ų157131.2 Ų131.284%0.8473%0.726SS**  trans-58.4109152.7-54.3-88.7000112.1
257N27.9Very low29.4Very low156 Ų156135.3 Ų135.383%0.83475%0.749SS**  trans-175.4108.5136.6-101.3-38.2000113.4D255D255-N257 PolarHBondContact O-N 3.11Å
258I29.5Very low28.5Very low162 Ų162139 Ų13983%0.83176%0.756SS**  176.6125.1123.1-91.1156.3000108.1
259H25.7Very low28.2Very low177 Ų177140.7 Ų140.782%0.81976%0.762SS**  trans-76.3122.3168.5-90.2-94.3000110
260R25.8Very low27.7Very low240 Ų240141.3 Ų141.391%0.90676%0.761SS**  trans-140.6109.6146.7-152.6170.3-159.2179.35.5111.8
261T27.6Very low27.3Very low99 Ų99144.5 Ų144.561%0.60776%0.758SS**  trans-72.7146.2175.513.20000111.8
262M22.7Very low27.2Very low107 Ų107143 Ų14353%0.52775%0.75SS.*  trans48.8101.3151.7-52.7-60.4-74.900117.3S264 P1633M262-S264 WeakPolarHBondContact CE-OG 3.3Å; M262-P1633 HydrophobicContact CE-CG 3.52Å
263I29.8Very low27.3Very low175 Ų175145 Ų14590%0.89775%0.753SS**  trans-96.995.6144.1-64.1174.4000106.6
264S26Very low27.3Very low86 Ų86145.9 Ų145.960%0.60175%0.749SS**  trans-112.2109.8161.6-64.70000106.9M262M262-S264 WeakPolarHBondContact CE-OG 3.3Å
265S26.7Very low27.2Very low100 Ų100147.4 Ų147.470%0.69975%0.749SS**  trans-156.8113.6170.6-60.30000108.2
266E25.8Very low27.2Very low174 Ų174147.2 Ų147.281%0.81375%0.748SS**  trans-62.2137.6152.6-59.4144.289.100107.4
267T30.6Very low27Very low131 Ų131145 Ų14580%0.80474%0.74SS**  trans-153.7103150.7-9.60000111.9V269T267-V269 PolarHBondContact O-N 2.91Å
268Q24Very low26.9Very low168 Ų168144.1 Ų144.179%0.78574%0.736SS**  trans-30.7123.9152.6-173172.925.800114.2
269V32.9Very low26.7Very low126 Ų126141.9 Ų141.976%0.76473%0.73SS**  trans20.6115.6146.3-173.90000118.1T267T267-V269 PolarHBondContact O-N 2.91Å
270D26.4Very low26.6Very low127 Ų127138.7 Ų138.768%0.67972%0.718SS**  -157.4-176.2116.1-135.7-32.3000112.7
271K25.5Very low26.7Very low159 Ų159134.8 Ų134.869%0.69171%0.714SS**  trans-88.5-171.2-161.2-59.9163.8-15581.80115.5
272D28.4Very low26.5Very low127 Ų127136.5 Ų136.568%0.67971%0.713SS**  trans80.284.4153.3-57.7-26.8000118.1
273F27.8Very low26.7Very low201 Ų201138 Ų13888%0.88272%0.723SS**  trans-117.771141.5-148.4-88.7000111.3
274I26.4Very low26.6Very low133 Ų133136.6 Ų136.668%0.68272%0.717SS**  trans-64.5132157.6-59167000107
275K25.3Very low27.7Very low158 Ų158137.1 Ų137.169%0.68772%0.719SS**  176.7143.1130-100.4175.9172.2-158.50116.8
276D27.7Very low27.8Very low128 Ų128139.6 Ų139.668%0.68473%0.725SS**  trans63.4144.5139.1-57.2-15.3000120.9
277V24.6Very low28.1Very low111 Ų111139.8 Ų139.867%0.67373%0.725SS**  cis-174.5155.5-30.7110.60000108.8
278D25.6Very low27.9Very low138 Ų138140.3 Ų140.374%0.73872%0.722SS**  trans62.9159.1164.2-72.8-6.2000119.3
279T25.3Very low28Very low115 Ų115140.6 Ų140.671%0.70672%0.723SS**  cis-156.7160.7-1317.70000113.1
280D23.6Very low27.7Very low109 Ų109143 Ų14358%0.58372%0.723SS**  trans44127.1146-89.35.8000124.3K282D280-K282 IonicContact OD1-NZ 2.74Å; D280-K282 IonicContact OD2-NZ 3.98Å; D280-K282 PolarHBondContact OD2-NZ 3.07Å
281I27.9Very low27.6Very low159 Ų159144.3 Ų144.382%0.81573%0.729SS**  158.3107.2124.8-81.3156.5000107.2
282K24.3Very low27.6Very low134 Ų134141 Ų14158%0.58373%0.726SS**  cis93.6107.448.2-78.8175.7175.1145.10115.3D280D280-K282 IonicContact OD1-NZ 2.74Å; D280-K282 IonicContact OD2-NZ 3.98Å; D280-K282 PolarHBondContact OD2-NZ 3.07Å
283N25Very low27.4Very low139 Ų139141.4 Ų141.474%0.74373%0.728SS**  trans70.2160.9137.5-52.1-1.2000117.1
284N27.9Very low27.2Very low145 Ų145139.8 Ų139.878%0.77572%0.72SS**  cis-154173.4-5.5-130.127.1000109.8
285P49.3Very low27.1Very low98 Ų98139 Ų13964%0.63671%0.714SS**  trans-98.2162.3-179.538.7-34000114.4
286D29.5Very low27Very low152 Ų152137.7 Ų137.781%0.81372%0.719SS**  trans-178.6163132.7-106.4-28.2000113
287Q32.7Very low26.7Very low178 Ų178135.7 Ų135.783%0.83272%0.721SS**  trans81.4167174.5-54.2171.7107.400117.9
288I25Very low26.6Very low141 Ų141134.9 Ų134.972%0.72372%0.72SS**  -163.6146.3-62.8-114.6165.4000111.7
289Q27Very low26.4Very low174 Ų174135.4 Ų135.481%0.81372%0.722SS**  trans64.8132.8174.1-74.7169.849.800116.7
290K26Very low27.1Very low177 Ų177134.7 Ų134.777%0.7772%0.719SS**  cis93.695.339.8-175.9-159.4175.7-174.60113.1
291L24.6Very low27Very low154 Ų154139.1 Ų139.181%0.80673%0.733SS**  -175.3123.4127-89.3168.8000106.1
292S26.4Very low26.9Very low90 Ų90135 Ų13563%0.62973%0.729SS**  cis84123.948-179.10000111.8
293L23.1Very low26.7Very low136 Ų136134 Ų13471%0.71274%0.739SS**  cis-163.9171.46.5-124.6175.9000112.1
294K23.7Very low26.8Very low166 Ų166133.4 Ų133.472%0.72274%0.74SS**  trans90135.4160.2-66.1-160.9173.7-89.60120.2
295E24.4Very low26.4Very low118 Ų118135.2 Ų135.255%0.55174%0.744SS**  cis-172.1157.4-29.8-127.3171.4174.600112.3
296T23.2Very low25.3Very low130 Ų130137.7 Ų137.780%0.79875%0.751SS**  trans62.5154.1155.152.40000118.6
297A22.3Very low24.9Very low86 Ų86135.3 Ų135.371%0.71175%0.746SS**  cis-177.1157.6-17.800000107.5
298S21.8Very low24.4Very low94 Ų94136.2 Ų136.266%0.65775%0.747SS**  cis179.6153.7-15.156.60000111
299L21.1Very low24.2Very low148 Ų148134.7 Ų134.778%0.77575%0.749SS**  trans66.6168.7153.3-95.670.8000118
300P40.4Very low24.1Very low101 Ų101132.3 Ų132.366%0.65675%0.751SS**  cis-136.9144.9-23.332.6-13.4000117
301K21Very low24Very low202 Ų202132 Ų13288%0.87875%0.752SS**  37.4138.9128.1-51.9179.4179.8-177.70122.7
302G25.6Very low24Very low71 Ų71132 Ų13273%0.73275%0.752SS**  trans134.9103.6161.400000111.7
303S20.2Very low23.9Very low113 Ų113135.3 Ų135.379%0.7976%0.763SS**  cis71.76913.987.40000117.3
304V27.8Very low23.9Very low127 Ų127133.7 Ų133.777%0.7776%0.762SS**  trans-142.5119.7146.7173.40000108.9I306V304-I306 HydrophobicContact CG1-CD1 4.31Å; V304-I306 HydrophobicContact CG1-CG1 3.86Å
305E19.6Very low24Very low183 Ų183130.8 Ų130.886%0.85576%0.763SS**  trans-85.6132.9157.6-61.3170.8110.400108.7
306I25.7Very low24.2Very low151 Ų151131.2 Ų131.277%0.77478%0.779SS**  trans-136.799.1151.9-61.2-177.5000108.4V304V304-I306 HydrophobicContact CG1-CD1 4.31Å; V304-I306 HydrophobicContact CG1-CG1 3.86Å
307S21.1Very low24.5Very low101 Ų101129.9 Ų129.971%0.70677%0.773SS**  trans-69.9133.7160.6-32.50000109.3
308K22.2Very low24.7Very low198 Ų198131.7 Ų131.786%0.86178%0.775SS**  trans-165.6124.2137.6-108.3149.5-168.7172.80113.9
309S22.3Very low24.9Very low108 Ų108134.1 Ų134.176%0.75578%0.779SS**  trans-44.8152152.9-15.10000112.3
310S24.9Very low25.2Very low124 Ų124134.2 Ų134.287%0.86778%0.781SS**  -170.3153.6100-92.30000112.4
311E22.6Very low24.7Very low170 Ų170134.4 Ų134.479%0.79479%0.791SS**  trans-86.9159177.7-53.8168.511000112.2
312L24.1Very low25Very low154 Ų154130.7 Ų130.781%0.80679%0.79SS**  trans63.3-173148.7-69.9162.2000117.6
313L24.4Very low25.2Very low161 Ų161135.5 Ų135.584%0.84380%0.798SS**  trans66.387.4-169.7-49.2-174.3000112.2
314S23.6Very low25.8Very low101 Ų101135.2 Ų135.271%0.70680%0.796SS**  cis62125.935.5-179.60000114.5
315S25.2Very low26Very low106 Ų106136.9 Ų136.974%0.74180%0.801SS**  trans67.4125.6176.174.60000118.4
316S28.9Very low26.6Very low126 Ų126136 Ų13688%0.88180%0.801SS**  trans-133.890.7162170.80000108.7
317P30.3Very low27Very low103 Ų103136.9 Ų136.967%0.66980%0.8SS**  trans-96.8137.6-168.935.7-33.8000114.9
318V26.9Very low27.8Very low124 Ų124142.3 Ų142.375%0.75281%0.806SS**  63.5104.1125.6-176.80000119.6
319L25.1Very low28.9Very low144 Ų144136 Ų13675%0.75480%0.798SS**  trans77.3141.7138.9-66.1174.1000123.8
320N27.1Very low30.5Very low150 Ų150135 Ų13580%0.80279%0.791SS**  trans58.1109.4141-64.6-10.8000121.7
321A30.8Very low31.9Very low105 Ų105133 Ų13387%0.86878%0.782SS**  trans-140.1142.7141.500000109.8
322S27.6Very low33.6Very low124 Ų124129.6 Ų129.687%0.86778%0.777SS**  trans-82.8148.8-167.4-59.50000115S324S322-S324 PolarHBondContact O-N 2.68Å
323L28.4Very low35.5Very low173 Ų173125.4 Ų125.491%0.90676%0.764SS**  trans-65.4105.1165.6-70.7167.1000111.3
324S33.9Very low37.5Very low107 Ų107120.5 Ų120.575%0.74875%0.747SS**  trans-172.3131.6151.1-82.50000110.9S322S322-S324 PolarHBondContact O-N 2.68Å
325N30.6Very low40Very low162 Ų162118.8 Ų118.887%0.86674%0.739SS**  trans124.411.1169.9-65.3-15000117.6F327N325-F327 PolarHBondContact O-N 3.38Å; N325-F327 VanDerWaalsContact O-N 3.08Å
326L32.2Very low42.5Very low164 Ų164119.1 Ų119.186%0.85973%0.732SS**  trans-84.669.1173.2-165.679.1000113.5
327F33.9Very low44.8Very low170 Ų170118.1 Ų118.175%0.74671%0.713SS**SBendtrans-166.6101160.1-117.8-85.9000105.5N325N325-F327 PolarHBondContact O-N 3.38Å; N325-F327 VanDerWaalsContact O-N 3.08Å
328Y39.7Very low47Very low214 Ų214115.7 Ų115.784%0.83970%0.701SS**SBend-156.314.771.8-104.8-81.5000114.9
329G43.8Very low49.6Very low66 Ų66112.3 Ų112.368%0.6869%0.687SS**  trans-96.6-4.4-163.700000119.4A331G329-A331 PolarHBondContact O-N 3.3Å
330S56.7Low52.5Low88 Ų88110 Ų11062%0.61568%0.675SS**Hα-helixtrans-70.8-28.3-159.653.70000116.7S332 A333 A334S330-S332 PolarHBondContact O-N 2.87Å; S330-A333 PolarHBondContact O-N 2.85Å; S330-A334 PolarHBondContact O-N 2.81Å
331A53.5Low55.1Low82 Ų82109 Ų10968%0.67866%0.66SS**Hα-helixtrans-62.7-38.6-169.700000114.2G329 A335G329-A331 PolarHBondContact O-N 3.3Å; A331-A335 PolarHBondContact O-N 3.49Å
332S58.8Low57.7Low98 Ų98108.8 Ų108.869%0.68564%0.643SS**Hα-helixtrans-75.1-27.4-177.4-167.20000113.4S330 L336S330-S332 PolarHBondContact O-N 2.87Å; S332-L336 PolarHBondContact O-N 2.87Å
333A64Low60.6Low65 Ų65108.2 Ų108.254%0.53763%0.625SS.*Hα-helixtrans-72.4-46.5177.900000110.9S330 A335 L336 E337S330-A333 PolarHBondContact O-N 2.85Å; A333-A335 VanDerWaalsContact C-N 3.28Å; A333-A335 PolarHBondContact O-N 3.26Å; A333-L336 PolarHBondContact O-N 3.5Å; A333-L336 VanDerWaalsContact O-N 3.14Å; A333-E337 PolarHBondContact O-N 2.59Å
334A67.4Low63.2Low58 Ų58104.8 Ų104.848%0.47961%0.605SS.*Hα-helixtrans-59.2-36.8178.200000112.8S330 A338S330-A334 PolarHBondContact O-N 2.81Å; A334-A338 WeakPolarHBondContact O-CB 3.33Å; A334-A338 PolarHBondContact O-N 3.44Å
335A74.7Confident65.6Low66 Ų66105.2 Ų105.255%0.54560%0.598SS.*Hα-helixtrans-65.7-39.8176.400000113A331 A333 A339A331-A335 PolarHBondContact O-N 3.49Å; A333-A335 VanDerWaalsContact C-N 3.28Å; A333-A335 PolarHBondContact O-N 3.26Å; A335-A339 PolarHBondContact O-N 2.91Å; A335-A339 VanDerWaalsContact O-N 3.14Å
336L78.4Confident68.1Low113 Ų113103.5 Ų103.559%0.59258%0.584SS**Hα-helixtrans-72.4-39177.8-174.962.4000111.8S332 A333 A338 A339 N340S332-L336 PolarHBondContact O-N 2.87Å; A333-L336 PolarHBondContact O-N 3.5Å; A333-L336 VanDerWaalsContact O-N 3.14Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-A338 PolarHBondContact O-N 2.87Å; L336-A339 PolarHBondContact O-N 3.41Å; L336-N340 PolarHBondContact O-N 3.45Å
337E77Confident70.8Confident105 Ų105100.7 Ų100.749%0.49157%0.567SS.*Hα-helixtrans-62.9-38.9174.5-168.7-179.2165.700111.9A333 N340 R341A333-E337 PolarHBondContact O-N 2.59Å; E337-N340 PolarHBondContact O-N 2.82Å; E337-R341 PolarHBondContact O-N 2.74Å; E337-R341 IonicContact OE1-CZ 3.63Å; E337-R341 IonicContact OE1-NH1 2.67Å; E337-R341 PolarHBondContact OE1-NH1 3.1Å; E337-R341 IonicContact OE1-NH2 3.89Å
338A76.2Confident73.3Confident51 Ų5195.9 Ų95.942%0.42155%0.549SS..Hα-helixtrans-64.9-41.7173.900000112.7A334 L336 R341 I342A334-A338 WeakPolarHBondContact O-CB 3.33Å; A334-A338 PolarHBondContact O-N 3.44Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-A338 PolarHBondContact O-N 2.87Å; A338-R341 WeakPolarHBondContact O-CB 3.38Å; A338-R341 PolarHBondContact O-N 3.04Å; A338-I342 WeakPolarHBondContact O-CG1 3.44Å; A338-I342 PolarHBondContact O-N 2.95Å
339A82.1Confident75.5Confident53 Ų5391.8 Ų91.844%0.43854%0.541SS..Hα-helixtrans-62.9-41.4176.400000112.2A335 L336 I342 K343A335-A339 PolarHBondContact O-N 2.91Å; A335-A339 VanDerWaalsContact O-N 3.14Å; L336-A339 PolarHBondContact O-N 3.41Å; A339-I342 PolarHBondContact O-N 2.85Å; A339-K343 PolarHBondContact O-N 3.03Å
340N85.2Confident77.6Confident97 Ų9795.5 Ų95.552%0.51954%0.541SS..Hα-helixtrans-63.5-42.9174.5-71.9-17.9000111.9L336 E337 I342 K343 E344L336-N340 PolarHBondContact O-N 3.45Å; E337-N340 PolarHBondContact O-N 2.82Å; N340-I342 VanDerWaalsContact C-N 3.29Å; N340-I342 PolarHBondContact O-N 3.13Å; N340-K343 PolarHBondContact O-N 2.96Å; N340-E344 WeakPolarHBondContact O-CB 3.41Å; N340-E344 PolarHBondContact O-N 3.19Å
341R83.1Confident79Confident129 Ų12996.5 Ų96.549%0.48754%0.536SS..Hα-helixtrans-56.1-41.1173-112.366.5175.4-115.312.6112.5E337 A338 E344 L345E337-R341 PolarHBondContact O-N 2.74Å; E337-R341 IonicContact OE1-CZ 3.63Å; E337-R341 IonicContact OE1-NH1 2.67Å; E337-R341 PolarHBondContact OE1-NH1 3.1Å; E337-R341 IonicContact OE1-NH2 3.89Å; A338-R341 WeakPolarHBondContact O-CB 3.38Å; A338-R341 PolarHBondContact O-N 3.04Å; R341-E344 PolarHBondContact O-N 2.69Å; R341-L345 WeakPolarHBondContact O-CB 3.45Å; R341-L345 WeakPolarHBondContact O-CG 3.44Å; R341-L345 PolarHBondContact O-N 3.3Å
342I85.3Confident80.4Confident100 Ų10098.6 Ų98.651%0.51353%0.526SS..Hα-helixtrans-65.8-42179.5-69165.8000111A338 A339 N340 L345 Q346A338-I342 WeakPolarHBondContact O-CG1 3.44Å; A338-I342 PolarHBondContact O-N 2.95Å; A339-I342 PolarHBondContact O-N 2.85Å; N340-I342 VanDerWaalsContact C-N 3.29Å; N340-I342 PolarHBondContact O-N 3.13Å; I342-L345 PolarHBondContact O-N 2.83Å; I342-Q346 WeakPolarHBondContact O-CG 3.47Å; I342-Q346 PolarHBondContact O-N 3.41Å
343K86.9Confident81.7Confident111 Ų11196.2 Ų96.248%0.48351%0.513SS..Hα-helixtrans-65.7-44.2176.4-175.1174178.9-68.60112.1A339 N340 L345 Q346 E347A339-K343 PolarHBondContact O-N 3.03Å; N340-K343 PolarHBondContact O-N 2.96Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 3.34Å; K343-Q346 PolarHBondContact O-N 3.06Å; K343-E347 WeakPolarHBondContact CE-OE1 3.38Å; K343-E347 IonicContact NZ-OE1 2.57Å; K343-E347 PolarHBondContact NZ-OE1 3.17Å; K343-E347 IonicContact NZ-OE2 3.79Å; K343-E347 PolarHBondContact O-N 3.12Å
344E84.3Confident82.8Confident102 Ų10296.6 Ų96.648%0.47751%0.511SS..Hα-helixtrans-57.6-43.4173.8-179.3-177.4-165.200111.6N340 R341 E347 N348N340-E344 WeakPolarHBondContact O-CB 3.41Å; N340-E344 PolarHBondContact O-N 3.19Å; R341-E344 PolarHBondContact O-N 2.69Å; E344-E347 PolarHBondContact O-N 3.07Å; E344-N348 WeakPolarHBondContact O-CB 3.44Å; E344-N348 PolarHBondContact O-N 2.96Å; E344-N348 PolarHBondContact O-ND2 2.92Å
345L82.8Confident83.6Confident115 Ų11597.3 Ų97.360%0.60251%0.505SS*.Hα-helixtrans-67.3-33.8176-73.5168.3000113R341 I342 K343 L349R341-L345 WeakPolarHBondContact O-CB 3.45Å; R341-L345 WeakPolarHBondContact O-CG 3.44Å; R341-L345 PolarHBondContact O-N 3.3Å; I342-L345 PolarHBondContact O-N 2.83Å; K343-L345 VanDerWaalsContact C-N 3.32Å; K343-L345 PolarHBondContact O-N 3.34Å; L345-L349 WeakPolarHBondContact O-CB 3.4Å; L345-L349 PolarHBondContact O-N 2.97Å
346Q84.3Confident84.1Confident126 Ų12699.9 Ų99.959%0.58951%0.509SS*.Hα-helixtrans-67.3-47.6174.2-75.6175-3500111.7I342 K343 N348 L349 E350I342-Q346 WeakPolarHBondContact O-CG 3.47Å; I342-Q346 PolarHBondContact O-N 3.41Å; K343-Q346 PolarHBondContact O-N 3.06Å; Q346-N348 PolarHBondContact O-N 3.46Å; Q346-L349 PolarHBondContact O-N 3.42Å; Q346-L349 VanDerWaalsContact O-N 3.11Å; Q346-E350 PolarHBondContact O-N 3.02Å
347E88.2Confident84.5Confident106 Ų10699.5 Ų99.550%0.49551%0.506SS..Hα-helixtrans-61.9-42.2177.7-72.3171.9178.800111.5K343 E344 L349 E350 Q351K343-E347 WeakPolarHBondContact CE-OE1 3.38Å; K343-E347 IonicContact NZ-OE1 2.57Å; K343-E347 PolarHBondContact NZ-OE1 3.17Å; K343-E347 IonicContact NZ-OE2 3.79Å; K343-E347 PolarHBondContact O-N 3.12Å; E344-E347 PolarHBondContact O-N 3.07Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-L349 PolarHBondContact O-N 2.91Å; E347-E350 PolarHBondContact O-N 2.9Å; E347-Q351 WeakPolarHBondContact O-CB 3.15Å; E347-Q351 PolarHBondContact O-N 3.41Å
348N86.6Confident84.8Confident69 Ų6996.7 Ų96.737%0.36950%0.501SS..Hα-helixtrans-59.7-40.9171.9-87-83.1000112.7E344 Q346 Q351 R352E344-N348 WeakPolarHBondContact O-CB 3.44Å; E344-N348 PolarHBondContact O-N 2.96Å; E344-N348 PolarHBondContact O-ND2 2.92Å; Q346-N348 PolarHBondContact O-N 3.46Å; N348-Q351 PolarHBondContact O-N 2.96Å; N348-R352 WeakPolarHBondContact O-CG 3.33Å; N348-R352 PolarHBondContact O-N 3.48Å
349L86.2Confident85.1Confident128 Ų12896.5 Ų96.567%0.6750%0.5SS*.Hα-helixtrans-70.6-37.2-178.1-162.6153.7000111.6L345 Q346 E347 R352 A353L345-L349 WeakPolarHBondContact O-CB 3.4Å; L345-L349 PolarHBondContact O-N 2.97Å; Q346-L349 PolarHBondContact O-N 3.42Å; Q346-L349 VanDerWaalsContact O-N 3.11Å; E347-L349 VanDerWaalsContact C-N 3.34Å; E347-L349 PolarHBondContact O-N 2.91Å; L349-R352 PolarHBondContact O-N 3.23Å; L349-A353 PolarHBondContact O-N 3.41Å
350E88.3Confident85.1Confident143 Ų143102.3 Ų102.367%0.66851%0.51SS*.Hα-helixtrans-72.2-34.5175.5-169.1153.7-142.200112.5Q346 E347 A353 S354Q346-E350 PolarHBondContact O-N 3.02Å; E347-E350 PolarHBondContact O-N 2.9Å; E350-A353 PolarHBondContact O-N 3.28Å; E350-S354 PolarHBondContact O-N 2.78Å; E350-S354 PolarHBondContact O-OG 3.13Å
351Q86.3Confident85.2Confident109 Ų109106.8 Ų106.851%0.50952%0.52SS..Hα-helixtrans-59.8-50.9166.8-179.8-179.3-28.800111E347 N348 A353 S354 E355E347-Q351 WeakPolarHBondContact O-CB 3.15Å; E347-Q351 PolarHBondContact O-N 3.41Å; N348-Q351 PolarHBondContact O-N 2.96Å; Q351-A353 VanDerWaalsContact C-N 3.29Å; Q351-A353 PolarHBondContact O-N 3.44Å; Q351-S354 WeakPolarHBondContact O-CA 3.44Å; Q351-S354 WeakPolarHBondContact O-CB 3.32Å; Q351-S354 PolarHBondContact O-N 3.43Å; Q351-E355 HydrophobicContact CG-CG 4.4Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.38Å; Q351-E355 PolarHBondContact NE2-OE1 3.29Å; Q351-E355 WeakPolarHBondContact O-CG 3.45Å; Q351-E355 PolarHBondContact O-N 3.2Å
352R82Confident85.2Confident126 Ų126104.1 Ų104.148%0.47551%0.513SS..Hα-helixtrans-59.2-37.2178.2-70.4-70.9-161.7135.914.5112.8N348 L349 S354 E355 L356N348-R352 WeakPolarHBondContact O-CG 3.33Å; N348-R352 PolarHBondContact O-N 3.48Å; L349-R352 PolarHBondContact O-N 3.23Å; R352-S354 VanDerWaalsContact C-N 3.35Å; R352-E355 WeakPolarHBondContact CD-OE2 3.33Å; R352-L356 WeakPolarHBondContact O-CB 3.37Å; R352-L356 PolarHBondContact O-N 3.29Å
353A86.5Confident85Confident49 Ų49103.8 Ų103.841%0.40552%0.515SS..Hα-helixtrans-65.3-39.1174.500000112L349 E350 Q351 L356 L357L349-A353 PolarHBondContact O-N 3.41Å; E350-A353 PolarHBondContact O-N 3.28Å; Q351-A353 VanDerWaalsContact C-N 3.29Å; Q351-A353 PolarHBondContact O-N 3.44Å; A353-L356 PolarHBondContact O-N 3.06Å; A353-L357 WeakPolarHBondContact O-CG 3.46Å; A353-L357 PolarHBondContact O-N 3.16Å
354S87.2Confident84.8Confident72 Ų72104 Ų10450%0.50352%0.52SS..Hα-helixtrans-67.6-43.8176.2-57.90000112.1E350 Q351 R352 L356 L357 A358E350-S354 PolarHBondContact O-N 2.78Å; E350-S354 PolarHBondContact O-OG 3.13Å; Q351-S354 WeakPolarHBondContact O-CA 3.44Å; Q351-S354 WeakPolarHBondContact O-CB 3.32Å; Q351-S354 PolarHBondContact O-N 3.43Å; R352-S354 VanDerWaalsContact C-N 3.35Å; S354-L356 PolarHBondContact O-N 3.06Å; S354-L357 PolarHBondContact O-N 3.28Å; S354-A358 PolarHBondContact O-N 3.27Å
355E84.5Confident84.7Confident74 Ų74103.2 Ų103.235%0.34652%0.517SS..Hα-helixtrans-58.9-44.1172.9-71.1170.8-179.400111.7Q351 R352 L357 A358 A359Q351-E355 HydrophobicContact CG-CG 4.4Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.38Å; Q351-E355 PolarHBondContact NE2-OE1 3.29Å; Q351-E355 WeakPolarHBondContact O-CG 3.45Å; Q351-E355 PolarHBondContact O-N 3.2Å; R352-E355 WeakPolarHBondContact CD-OE2 3.33Å; E355-L357 PolarHBondContact O-N 2.93Å; E355-A358 WeakPolarHBondContact O-CB 3.32Å; E355-A358 PolarHBondContact O-N 3.34Å; E355-A359 WeakPolarHBondContact O-CB 3.41Å; E355-A359 PolarHBondContact O-N 3.07Å
356L84.6Confident84.4Confident120 Ų120101.5 Ų101.563%0.62851%0.508SS*.Hα-helixtrans-66.9-35.1178.7-172.7145.7000112.4R352 A353 S354 R360R352-L356 WeakPolarHBondContact O-CB 3.37Å; R352-L356 PolarHBondContact O-N 3.29Å; A353-L356 PolarHBondContact O-N 3.06Å; S354-L356 PolarHBondContact O-N 3.06Å; L356-R360 WeakPolarHBondContact O-CB 3.43Å; L356-R360 PolarHBondContact O-N 3.19Å
357L87.1Confident84.3Confident104 Ų10499.9 Ų99.955%0.54551%0.507SS..Hα-helixtrans-67.9-37.9171.2-76.9171.9000112.4A353 S354 E355 R360 R361A353-L357 WeakPolarHBondContact O-CG 3.46Å; A353-L357 PolarHBondContact O-N 3.16Å; S354-L357 PolarHBondContact O-N 3.28Å; E355-L357 PolarHBondContact O-N 2.93Å; L357-R360 PolarHBondContact O-N 3.24Å; L357-R361 WeakPolarHBondContact O-CG 3.41Å; L357-R361 PolarHBondContact O-N 3.07Å; L357-R361 VanDerWaalsContact O-N 3.13Å
358A84Confident84.1Confident47 Ų4797.1 Ų97.139%0.38850%0.499SS..Hα-helixtrans-64.8-48174.700000111.5S354 E355 R360 R361 Q362S354-A358 PolarHBondContact O-N 3.27Å; E355-A358 WeakPolarHBondContact O-CB 3.32Å; E355-A358 PolarHBondContact O-N 3.34Å; A358-R360 VanDerWaalsContact C-N 3.29Å; A358-R360 PolarHBondContact O-N 2.89Å; A358-R361 WeakPolarHBondContact O-CB 3.49Å; A358-R361 PolarHBondContact O-N 3.12Å; A358-R361 VanDerWaalsContact O-N 3.1Å; A358-Q362 PolarHBondContact O-N 3.21Å
359A81.6Confident83.7Confident47 Ų4798.1 Ų98.139%0.38850%0.498SS..Hα-helixtrans-57.6-41.2174.300000111.8E355 R361 Q362 V363E355-A359 WeakPolarHBondContact O-CB 3.41Å; E355-A359 PolarHBondContact O-N 3.07Å; A359-R361 VanDerWaalsContact C-N 3.33Å; A359-R361 PolarHBondContact O-N 3.05Å; A359-Q362 PolarHBondContact O-N 3.43Å; A359-V363 WeakPolarHBondContact O-CG2 3.13Å; A359-V363 PolarHBondContact O-N 2.99Å
360R83.1Confident83.1Confident175 Ų17595.9 Ų95.966%0.6649%0.493SS*.Hα-helixtrans-64.7-32.8176.9-167.7175.4-176-173.11.6113.1L356 L357 A358 I364L356-R360 WeakPolarHBondContact O-CB 3.43Å; L356-R360 PolarHBondContact O-N 3.19Å; L357-R360 PolarHBondContact O-N 3.24Å; A358-R360 VanDerWaalsContact C-N 3.29Å; A358-R360 PolarHBondContact O-N 2.89Å; R360-I364 WeakPolarHBondContact O-CG1 3.4Å; R360-I364 PolarHBondContact O-N 3.02Å
361R87.2Confident82.7Confident190 Ų19097.8 Ų97.872%0.71749%0.494SS*.Hα-helixtrans-67.9-44.8171.7-69.8177.3-176.1-176.22.5111.3L357 A358 A359 V363 I364 E365L357-R361 WeakPolarHBondContact O-CG 3.41Å; L357-R361 PolarHBondContact O-N 3.07Å; L357-R361 VanDerWaalsContact O-N 3.13Å; A358-R361 WeakPolarHBondContact O-CB 3.49Å; A358-R361 PolarHBondContact O-N 3.12Å; A358-R361 VanDerWaalsContact O-N 3.1Å; A359-R361 VanDerWaalsContact C-N 3.33Å; A359-R361 PolarHBondContact O-N 3.05Å; R361-V363 VanDerWaalsContact C-N 3.32Å; R361-V363 PolarHBondContact O-N 3.27Å; R361-I364 WeakPolarHBondContact O-CB 3.36Å; R361-I364 PolarHBondContact O-N 3.1Å; R361-E365 PolarHBondContact O-N 3.39Å
362Q82Confident82.5Confident74 Ų7497.3 Ų97.335%0.34649%0.492SS..Hα-helixtrans-61.4-37.9177.8-69.7174.3-800112.4A358 A359 I364 E365 L366A358-Q362 PolarHBondContact O-N 3.21Å; A359-Q362 PolarHBondContact O-N 3.43Å; Q362-I364 VanDerWaalsContact C-N 3.29Å; Q362-I364 PolarHBondContact O-N 3.29Å; Q362-E365 PolarHBondContact O-N 3.02Å; Q362-L366 WeakPolarHBondContact O-CB 3.35Å; Q362-L366 VanDerWaalsContact O-CG 3.25Å; Q362-L366 WeakPolarHBondContact O-CG 3.48Å; Q362-L366 PolarHBondContact O-N 3.06Å
363V80.5Confident82Confident92 Ų9295.1 Ų95.156%0.55850%0.496SS*.Hα-helixtrans-60.4-38173.3170.60000111.8A359 R361 T367A359-V363 WeakPolarHBondContact O-CG2 3.13Å; A359-V363 PolarHBondContact O-N 2.99Å; R361-V363 VanDerWaalsContact C-N 3.32Å; R361-V363 PolarHBondContact O-N 3.27Å; V363-T367 WeakPolarHBondContact O-CB 3.37Å; V363-T367 PolarHBondContact O-N 3.37Å; V363-T367 PolarHBondContact O-OG1 2.71Å
364I83.9Confident81.4Confident115 Ų11596.3 Ų96.359%0.5950%0.501SS*.Hα-helixtrans-68.7-44.8176.5-64.5166.5000110.8R360 R361 Q362 T367 S368R360-I364 WeakPolarHBondContact O-CG1 3.4Å; R360-I364 PolarHBondContact O-N 3.02Å; R361-I364 WeakPolarHBondContact O-CB 3.36Å; R361-I364 PolarHBondContact O-N 3.1Å; Q362-I364 VanDerWaalsContact C-N 3.29Å; Q362-I364 PolarHBondContact O-N 3.29Å; I364-T367 WeakPolarHBondContact O-CB 3.48Å; I364-T367 PolarHBondContact O-N 3.14Å; I364-T367 VanDerWaalsContact O-N 3.15Å; I364-S368 PolarHBondContact O-N 3.04Å
365E81.9Confident81.1Confident86 Ų8697.6 Ų97.640%0.40250%0.502SS..Hα-helixtrans-65.2-40.2178.7-168.7-175.9150.500112.5R361 Q362 T367 S368 R369R361-E365 PolarHBondContact O-N 3.39Å; Q362-E365 PolarHBondContact O-N 3.02Å; E365-T367 VanDerWaalsContact C-N 3.3Å; E365-T367 PolarHBondContact O-N 2.68Å; E365-S368 PolarHBondContact O-N 3.09Å; E365-S368 PolarHBondContact O-OG 2.84Å; E365-R369 PolarHBondContact O-N 3.28Å; E365-R369 IonicContact OE1-CZ 2.76Å; E365-R369 IonicContact OE1-NH1 3.7Å; E365-R369 PolarHBondContact OE1-NH1 3.45Å; E365-R369 IonicContact OE1-NH2 3.58Å; E365-R369 PolarHBondContact OE1-NH2 3.44Å
366L76.7Confident80.6Confident80 Ų8097.9 Ų97.942%0.41951%0.513SS..Hα-helixtrans-67.3-31.5172.2-69.2170.9000111.9Q362 S370 L676Q362-L366 WeakPolarHBondContact O-CB 3.35Å; Q362-L366 VanDerWaalsContact O-CG 3.25Å; Q362-L366 WeakPolarHBondContact O-CG 3.48Å; Q362-L366 PolarHBondContact O-N 3.06Å; L366-S370 WeakPolarHBondContact O-CB 3.35Å; L366-S370 PolarHBondContact O-N 3.13Å; L366-L676 HydrophobicContact CD2-CD1 4.44Å
367T81.6Confident80Confident91 Ų9197.4 Ų97.456%0.55851%0.51SS*.Hα-helixtrans-70.4-37.6174-57.60000111.8V363 I364 E365 R371V363-T367 WeakPolarHBondContact O-CB 3.37Å; V363-T367 PolarHBondContact O-N 3.37Å; V363-T367 PolarHBondContact O-OG1 2.71Å; I364-T367 WeakPolarHBondContact O-CB 3.48Å; I364-T367 PolarHBondContact O-N 3.14Å; I364-T367 VanDerWaalsContact O-N 3.15Å; E365-T367 VanDerWaalsContact C-N 3.3Å; E365-T367 PolarHBondContact O-N 2.68Å; T367-R371 PolarHBondContact O-N 3.35Å; T367-R371 VanDerWaalsContact O-N 3.16Å
368S83.4Confident79.6Confident49 Ų4996.4 Ų96.434%0.34351%0.512SS..Hα-helixtrans-69.1-48.6174.184.50000111I364 E365 S370 R371 E372I364-S368 PolarHBondContact O-N 3.04Å; E365-S368 PolarHBondContact O-N 3.09Å; E365-S368 PolarHBondContact O-OG 2.84Å; S368-S370 VanDerWaalsContact C-N 3.29Å; S368-S370 PolarHBondContact O-N 3.26Å; S368-R371 CarbonylContact O-C 3.54Å; S368-R371 WeakPolarHBondContact O-CA 3.29Å; S368-R371 WeakPolarHBondContact O-CB 3.46Å; S368-R371 PolarHBondContact O-N 3.2Å; S368-E372 VanDerWaalsContact C-CD 3.47Å; S368-E372 WeakPolarHBondContact CB-OE1 3.35Å; S368-E372 VanDerWaalsContact O-CD 3.24Å; S368-E372 WeakPolarHBondContact O-CG 3.37Å; S368-E372 PolarHBondContact O-N 3.43Å; S368-E372 PolarHBondContact OG-OE1 2.85Å
369R79.7Confident79.4Confident90 Ų9099.4 Ų99.434%0.3452%0.521SS..Hα-helixtrans-57.5-37.8174.8-74.9-167.3-179.2109.211.7113.3E365 R371 E372 S373E365-R369 PolarHBondContact O-N 3.28Å; E365-R369 IonicContact OE1-CZ 2.76Å; E365-R369 IonicContact OE1-NH1 3.7Å; E365-R369 PolarHBondContact OE1-NH1 3.45Å; E365-R369 IonicContact OE1-NH2 3.58Å; E365-R369 PolarHBondContact OE1-NH2 3.44Å; R369-R371 VanDerWaalsContact C-N 3.34Å; R369-E372 WeakPolarHBondContact CA-OE2 3.47Å; R369-E372 PolarHBondContact O-N 3.35Å; R369-S373 WeakPolarHBondContact O-CB 3.12Å; R369-S373 PolarHBondContact O-N 3.09Å
370S72.6Confident79Confident80 Ų8099.5 Ų99.556%0.55952%0.521SS*.Hα-helixtrans-63.2-40.3173.81780000111.8L366 S368 S374L366-S370 WeakPolarHBondContact O-CB 3.35Å; L366-S370 PolarHBondContact O-N 3.13Å; S368-S370 VanDerWaalsContact C-N 3.29Å; S368-S370 PolarHBondContact O-N 3.26Å; S370-S374 WeakPolarHBondContact O-CB 3.5Å; S370-S374 PolarHBondContact O-N 2.86Å
371R81.3Confident78.4Confident183 Ų18396.1 Ų96.169%0.69151%0.513SS*.Hα-helixtrans-70.6-40.7176.2-170.3176.5-173.3163.51.8112.7T367 S368 R369 S374 N375T367-R371 PolarHBondContact O-N 3.35Å; T367-R371 VanDerWaalsContact O-N 3.16Å; S368-R371 CarbonylContact O-C 3.54Å; S368-R371 WeakPolarHBondContact O-CA 3.29Å; S368-R371 WeakPolarHBondContact O-CB 3.46Å; S368-R371 PolarHBondContact O-N 3.2Å; R369-R371 VanDerWaalsContact C-N 3.34Å; R371-S374 PolarHBondContact O-N 2.82Å; R371-N375 VanDerWaalsContact O-CG 3.24Å; R371-N375 PolarHBondContact O-N 2.88Å; R371-N375 PolarHBondContact O-OD1 3.19Å
372E80.2Confident78.1Confident100 Ų10090.7 Ų90.747%0.46750%0.504SS..Hα-helixtrans-61-49.7174-69.5145.1-146.800110.3S368 R369 S374 N375 S376S368-E372 VanDerWaalsContact C-CD 3.47Å; S368-E372 WeakPolarHBondContact CB-OE1 3.35Å; S368-E372 VanDerWaalsContact O-CD 3.24Å; S368-E372 WeakPolarHBondContact O-CG 3.37Å; S368-E372 PolarHBondContact O-N 3.43Å; S368-E372 PolarHBondContact OG-OE1 2.85Å; R369-E372 WeakPolarHBondContact CA-OE2 3.47Å; R369-E372 PolarHBondContact O-N 3.35Å; E372-S374 VanDerWaalsContact C-N 3.32Å; E372-S374 PolarHBondContact O-N 3.3Å; E372-N375 WeakPolarHBondContact O-CB 3.45Å; E372-N375 PolarHBondContact O-N 2.89Å; E372-S376 PolarHBondContact O-N 3.42Å; E372-S376 PolarHBondContact O-OG 3.38Å
373S72.4Confident77.9Confident80 Ų8092.7 Ų92.756%0.55951%0.513SS*.Hα-helixtrans-58.3-40.5174.5-178.50000112.6R369 N375 S376 L377R369-S373 WeakPolarHBondContact O-CB 3.12Å; R369-S373 PolarHBondContact O-N 3.09Å; S373-N375 VanDerWaalsContact C-N 3.33Å; S373-N375 PolarHBondContact O-N 3.48Å; S373-S376 PolarHBondContact O-N 2.89Å; S373-L377 WeakPolarHBondContact O-CB 3.43Å; S373-L377 PolarHBondContact O-N 2.92Å
374S73.3Confident77.4Confident73 Ų7392.8 Ų92.851%0.5151%0.51SS..Hα-helixtrans-65.8-32.4174.1-172.30000113.3S370 R371 E372 S378S370-S374 WeakPolarHBondContact O-CB 3.5Å; S370-S374 PolarHBondContact O-N 2.86Å; R371-S374 PolarHBondContact O-N 2.82Å; E372-S374 VanDerWaalsContact C-N 3.32Å; E372-S374 PolarHBondContact O-N 3.3Å; S374-S378 PolarHBondContact O-N 3.47Å
375N80.7Confident77.2Confident100 Ų10091.2 Ų91.254%0.53550%0.503SS..Hα-helixtrans-71.4-45.9174.5-67.7-19.4000110.6R371 E372 S373 L377 S378 L379R371-N375 VanDerWaalsContact O-CG 3.24Å; R371-N375 PolarHBondContact O-N 2.88Å; R371-N375 PolarHBondContact O-OD1 3.19Å; E372-N375 WeakPolarHBondContact O-CB 3.45Å; E372-N375 PolarHBondContact O-N 2.89Å; S373-N375 VanDerWaalsContact C-N 3.33Å; S373-N375 PolarHBondContact O-N 3.48Å; N375-L377 VanDerWaalsContact C-N 3.32Å; N375-L377 PolarHBondContact O-N 2.9Å; N375-S378 WeakPolarHBondContact O-CA 3.5Å; N375-S378 WeakPolarHBondContact O-CB 3.35Å; N375-S378 PolarHBondContact O-N 2.93Å; N375-S378 VanDerWaalsContact O-N 3.08Å; N375-L379 PolarHBondContact O-N 3.01Å
376S75.7Confident77.1Confident80 Ų8095.7 Ų95.756%0.55952%0.516SS*.Hα-helixtrans-62.2-38.6177.3-56.60000112.1E372 S373 S378 L379 A380E372-S376 PolarHBondContact O-N 3.42Å; E372-S376 PolarHBondContact O-OG 3.38Å; S373-S376 PolarHBondContact O-N 2.89Å; S376-S378 VanDerWaalsContact C-N 3.34Å; S376-L379 PolarHBondContact O-N 3.35Å; S376-A380 WeakPolarHBondContact O-CB 3.44Å; S376-A380 PolarHBondContact O-N 3.29Å
377L71.5Confident76.7Confident110 Ų11094 Ų9458%0.57651%0.513SS*.Hα-helixtrans-61.2-42.6171.6-17763.9000111.4S373 N375 L379 A380 Q381S373-L377 WeakPolarHBondContact O-CB 3.43Å; S373-L377 PolarHBondContact O-N 2.92Å; N375-L377 VanDerWaalsContact C-N 3.32Å; N375-L377 PolarHBondContact O-N 2.9Å; L377-L379 VanDerWaalsContact C-N 3.3Å; L377-L379 PolarHBondContact O-N 2.88Å; L377-A380 PolarHBondContact O-N 3.38Å; L377-Q381 WeakPolarHBondContact O-CB 3.44Å; L377-Q381 PolarHBondContact O-N 3.01Å
378S78.6Confident76.2Confident83 Ų8393.3 Ų93.358%0.5851%0.507SS*.Hα-helixtrans-65.9-30.7176-170.30000113.2S374 N375 S376 S382S374-S378 PolarHBondContact O-N 3.47Å; N375-S378 WeakPolarHBondContact O-CA 3.5Å; N375-S378 WeakPolarHBondContact O-CB 3.35Å; N375-S378 PolarHBondContact O-N 2.93Å; N375-S378 VanDerWaalsContact O-N 3.08Å; S376-S378 VanDerWaalsContact C-N 3.34Å; S378-S382 PolarHBondContact O-N 3.32Å
379L80Confident76Confident110 Ų11095.3 Ų95.358%0.57651%0.513SS*.Hα-helixtrans-70.6-52.1174.8-163.579.5000110.3N375 S376 L377 Q381 S382 E383N375-L379 PolarHBondContact O-N 3.01Å; S376-L379 PolarHBondContact O-N 3.35Å; L377-L379 VanDerWaalsContact C-N 3.3Å; L377-L379 PolarHBondContact O-N 2.88Å; L379-Q381 VanDerWaalsContact C-N 3.26Å; L379-Q381 PolarHBondContact O-N 3.49Å; L379-S382 WeakPolarHBondContact O-CA 3.43Å; L379-S382 VanDerWaalsContact O-CB 3.31Å; L379-S382 WeakPolarHBondContact O-CB 3.35Å; L379-S382 PolarHBondContact O-N 3.48Å; L379-E383 PolarHBondContact O-N 3.28Å
380A71.9Confident76Confident48 Ų4895.4 Ų95.440%0.39752%0.517SS..Hα-helixtrans-59.1-35177.400000112.6S376 L377 S382 E383 L384S376-A380 WeakPolarHBondContact O-CB 3.44Å; S376-A380 PolarHBondContact O-N 3.29Å; L377-A380 PolarHBondContact O-N 3.38Å; A380-S382 VanDerWaalsContact C-N 3.32Å; A380-S382 PolarHBondContact O-N 3.04Å; A380-E383 PolarHBondContact O-N 2.94Å; A380-L384 VanDerWaalsContact O-CB 3.3Å; A380-L384 WeakPolarHBondContact O-CB 3.47Å; A380-L384 PolarHBondContact O-N 2.96Å
381Q72.3Confident75.8Confident104 Ų10496.2 Ų96.249%0.48652%0.515SS..Hα-helixtrans-62.6-37.8172.3-162.487.846.600111.9L377 L379 N385L377-Q381 WeakPolarHBondContact O-CB 3.44Å; L377-Q381 PolarHBondContact O-N 3.01Å; L379-Q381 VanDerWaalsContact C-N 3.26Å; L379-Q381 PolarHBondContact O-N 3.49Å; Q381-N385 PolarHBondContact O-N 3.39Å; Q381-N385 VanDerWaalsContact O-N 3.12Å; Q381-N385 PolarHBondContact O-ND2 3.43Å
382S80.1Confident75.5Confident76 Ų7692.8 Ų92.853%0.53151%0.507SS..Hα-helixtrans-73-35.6176.6-167.70000112.4S378 L379 A380 R386S378-S382 PolarHBondContact O-N 3.32Å; L379-S382 WeakPolarHBondContact O-CA 3.43Å; L379-S382 VanDerWaalsContact O-CB 3.31Å; L379-S382 WeakPolarHBondContact O-CB 3.35Å; L379-S382 PolarHBondContact O-N 3.48Å; A380-S382 VanDerWaalsContact C-N 3.32Å; A380-S382 PolarHBondContact O-N 3.04Å; S382-R386 PolarHBondContact O-N 3.48Å
383E78.5Confident75.4Confident117 Ų11793.5 Ų93.555%0.54751%0.505SS..Hα-helixtrans-69.2-42.2175.1-69173162.600111.4L379 A380 N385 R386 A387L379-E383 PolarHBondContact O-N 3.28Å; A380-E383 PolarHBondContact O-N 2.94Å; E383-N385 VanDerWaalsContact C-N 3.33Å; E383-N385 PolarHBondContact O-N 3Å; E383-R386 PolarHBondContact O-N 3.41Å; E383-A387 WeakPolarHBondContact O-CB 3.41Å; E383-A387 PolarHBondContact O-N 3.42Å
384L69.6Low75.4Confident93 Ų9394 Ų9449%0.48750%0.501SS..Hα-helixtrans-59.5-42.4173-179.762.4000111.7A380 A387 N388A380-L384 VanDerWaalsContact O-CB 3.3Å; A380-L384 WeakPolarHBondContact O-CB 3.47Å; A380-L384 PolarHBondContact O-N 2.96Å; L384-A387 PolarHBondContact O-N 2.88Å; L384-N388 WeakPolarHBondContact O-CB 3.49Å; L384-N388 VanDerWaalsContact O-CG 3.25Å; L384-N388 PolarHBondContact O-N 3.49Å; L384-N388 PolarHBondContact O-ND2 2.92Å
385N79.3Confident75.3Confident82 Ų8293.5 Ų93.544%0.43950%0.495SS..Hα-helixtrans-62.9-45.6174.3-70.7-18.3000111.6Q381 E383 A387 N388 D389Q381-N385 PolarHBondContact O-N 3.39Å; Q381-N385 VanDerWaalsContact O-N 3.12Å; Q381-N385 PolarHBondContact O-ND2 3.43Å; E383-N385 VanDerWaalsContact C-N 3.33Å; E383-N385 PolarHBondContact O-N 3Å; N385-A387 VanDerWaalsContact C-N 3.28Å; N385-A387 PolarHBondContact O-N 3.11Å; N385-N388 PolarHBondContact O-N 3.12Å; N385-D389 VanDerWaalsContact O-CG 3.31Å; N385-D389 PolarHBondContact O-N 3.35Å
386R79.1Confident75.3Confident181 Ų18195.1 Ų95.168%0.68349%0.493SS*.Hα-helixtrans-60.9-36.3175.5176.1178.6170.7138-1112.5S382 E383 Q390S382-R386 PolarHBondContact O-N 3.48Å; E383-R386 PolarHBondContact O-N 3.41Å; R386-Q390 PolarHBondContact O-N 3.14Å; R386-Q390 VanDerWaalsContact O-N 3.12Å
387A69.9Low75.5Confident43 Ų4396.3 Ų96.336%0.35549%0.49SS..Hα-helixtrans-68.9-42.5174.800000111.5E383 L384 N385 Q390 I391E383-A387 WeakPolarHBondContact O-CB 3.41Å; E383-A387 PolarHBondContact O-N 3.42Å; L384-A387 PolarHBondContact O-N 2.88Å; N385-A387 VanDerWaalsContact C-N 3.28Å; N385-A387 PolarHBondContact O-N 3.11Å; A387-Q390 CarbonylContact O-C 3.56Å; A387-Q390 WeakPolarHBondContact O-CA 3.45Å; A387-Q390 WeakPolarHBondContact O-CB 3.32Å; A387-Q390 PolarHBondContact O-N 3.48Å; A387-Q390 VanDerWaalsContact O-N 3.09Å; A387-I391 WeakPolarHBondContact O-CG1 3.08Å; A387-I391 PolarHBondContact O-N 2.87Å
388N69.8Low75.3Confident78 Ų7896 Ų9642%0.41749%0.489SS..Hα-helixtrans-60.9-43.9173.4-71.1-28.8000111.7L384 N385 Q390 I391 E392L384-N388 WeakPolarHBondContact O-CB 3.49Å; L384-N388 VanDerWaalsContact O-CG 3.25Å; L384-N388 PolarHBondContact O-N 3.49Å; L384-N388 PolarHBondContact O-ND2 2.92Å; N385-N388 PolarHBondContact O-N 3.12Å; N388-Q390 PolarHBondContact O-N 2.95Å; N388-I391 PolarHBondContact O-N 2.91Å; N388-E392 PolarHBondContact O-N 3.46Å
389D80.2Confident75.5Confident91 Ų9199.6 Ų99.649%0.48749%0.49SS..Hα-helixtrans-59.5-34173.8-64.3-22.7000111.8N385 R393N385-D389 VanDerWaalsContact O-CG 3.31Å; N385-D389 PolarHBondContact O-N 3.35Å; D389-R393 WeakPolarHBondContact O-CG 2.99Å; D389-R393 VanDerWaalsContact O-CZ 3.29Å; D389-R393 PolarHBondContact O-N 3.23Å; D389-R393 VanDerWaalsContact O-N 3.13Å; D389-R393 PolarHBondContact O-NH1 3.28Å; D389-R393 VanDerWaalsContact O-NH1 3.09Å
390Q79.3Confident75.6Confident91 Ų9198.6 Ų98.643%0.42548%0.482SS..Hα-helixtrans-74.8-40176.8-175.5167.4-21.900112.2R386 A387 N388 E392 R393 L394R386-Q390 PolarHBondContact O-N 3.14Å; R386-Q390 VanDerWaalsContact O-N 3.12Å; A387-Q390 CarbonylContact O-C 3.56Å; A387-Q390 WeakPolarHBondContact O-CA 3.45Å; A387-Q390 WeakPolarHBondContact O-CB 3.32Å; A387-Q390 PolarHBondContact O-N 3.48Å; A387-Q390 VanDerWaalsContact O-N 3.09Å; N388-Q390 PolarHBondContact O-N 2.95Å; Q390-E392 VanDerWaalsContact C-N 3.32Å; Q390-R393 VanDerWaalsContact CA-NH2 3.34Å; Q390-R393 PolarHBondContact O-N 3.28Å; Q390-L394 HydrophobicContact CG-CD1 4.15Å; Q390-L394 WeakPolarHBondContact O-CB 3.44Å; Q390-L394 WeakPolarHBondContact O-CG 3.47Å; Q390-L394 PolarHBondContact O-N 3.46Å
391I68.9Low75.8Confident98 Ų9899.6 Ų99.650%0.50349%0.486SS..Hα-helixtrans-62.9-40.2172.9-68.3164000110.2A387 N388 L394 T395A387-I391 WeakPolarHBondContact O-CG1 3.08Å; A387-I391 PolarHBondContact O-N 2.87Å; N388-I391 PolarHBondContact O-N 2.91Å; I391-L394 PolarHBondContact O-N 3.25Å; I391-T395 VanDerWaalsContact O-CB 3.27Å; I391-T395 WeakPolarHBondContact O-CB 3.27Å; I391-T395 PolarHBondContact O-N 2.87Å; I391-T395 PolarHBondContact O-OG1 3.41Å
392E75.2Confident75.9Confident111 Ų11199.4 Ų99.452%0.51949%0.485SS..Hα-helixtrans-67.5-37.8177-151.1-148.4111.800112.4N388 Q390 R396N388-E392 PolarHBondContact O-N 3.46Å; Q390-E392 VanDerWaalsContact C-N 3.32Å; E392-R396 WeakPolarHBondContact O-CB 3.46Å; E392-R396 PolarHBondContact O-N 3.07Å; E392-R396 IonicContact OE1-CZ 3.78Å; E392-R396 IonicContact OE1-NE 3.25Å; E392-R396 IonicContact OE1-NH2 3.88Å; E392-R396 PolarHBondContact OE1-NH2 3.26Å
393R77.9Confident76.1Confident114 Ų114100.9 Ų100.943%0.4348%0.484SS..Hα-helixtrans-60.9-52.3170.5-77-174.2-63.6-82.62.4111.6D389 Q390 T395 R396 E397D389-R393 WeakPolarHBondContact O-CG 2.99Å; D389-R393 VanDerWaalsContact O-CZ 3.29Å; D389-R393 PolarHBondContact O-N 3.23Å; D389-R393 VanDerWaalsContact O-N 3.13Å; D389-R393 PolarHBondContact O-NH1 3.28Å; D389-R393 VanDerWaalsContact O-NH1 3.09Å; Q390-R393 VanDerWaalsContact CA-NH2 3.34Å; Q390-R393 PolarHBondContact O-N 3.28Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 3.28Å; R393-R396 WeakPolarHBondContact O-CA 3.5Å; R393-R396 WeakPolarHBondContact O-CB 3.33Å; R393-R396 PolarHBondContact O-N 3.46Å; R393-E397 WeakPolarHBondContact O-CG 3.33Å; R393-E397 PolarHBondContact O-N 2.91Å
394L70.8Confident76.2Confident92 Ų92101.7 Ų101.748%0.48248%0.482SS..Hα-helixtrans-62.1-36.2179.3-69.7169.4000112.4Q390 I391 R396 E397 L398Q390-L394 HydrophobicContact CG-CD1 4.15Å; Q390-L394 WeakPolarHBondContact O-CB 3.44Å; Q390-L394 WeakPolarHBondContact O-CG 3.47Å; Q390-L394 PolarHBondContact O-N 3.46Å; I391-L394 PolarHBondContact O-N 3.25Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 3.48Å; L394-E397 PolarHBondContact O-N 3.35Å; L394-L398 VanDerWaalsContact O-CB 3.25Å; L394-L398 WeakPolarHBondContact O-CB 3.45Å; L394-L398 PolarHBondContact O-N 3.19Å
395T71.5Confident76.5Confident62 Ų62102.8 Ų102.838%0.3848%0.479SS..Hα-helixtrans-67.4-31.7175.3-570000111.8I391 R393 R399I391-T395 VanDerWaalsContact O-CB 3.27Å; I391-T395 WeakPolarHBondContact O-CB 3.27Å; I391-T395 PolarHBondContact O-N 2.87Å; I391-T395 PolarHBondContact O-OG1 3.41Å; R393-T395 VanDerWaalsContact C-N 3.3Å; R393-T395 PolarHBondContact O-N 3.28Å; T395-R399 WeakPolarHBondContact O-CB 3.31Å; T395-R399 PolarHBondContact O-N 3.03Å
396R81.9Confident76.2Confident133 Ų133101.6 Ų101.650%0.50248%0.475SS..Hα-helixtrans-74.3-46.7175-170.5-177.1-59.4-131.51.5111.1E392 R393 L394 L398 R399 E400E392-R396 WeakPolarHBondContact O-CB 3.46Å; E392-R396 PolarHBondContact O-N 3.07Å; E392-R396 IonicContact OE1-CZ 3.78Å; E392-R396 IonicContact OE1-NE 3.25Å; E392-R396 IonicContact OE1-NH2 3.88Å; E392-R396 PolarHBondContact OE1-NH2 3.26Å; R393-R396 WeakPolarHBondContact O-CA 3.5Å; R393-R396 WeakPolarHBondContact O-CB 3.33Å; R393-R396 PolarHBondContact O-N 3.46Å; L394-R396 VanDerWaalsContact C-N 3.3Å; L394-R396 PolarHBondContact O-N 3.48Å; R396-L398 VanDerWaalsContact C-N 3.35Å; R396-L398 PolarHBondContact O-N 3.12Å; R396-R399 PolarHBondContact O-N 2.97Å; R396-E400 WeakPolarHBondContact O-CG 3.44Å; R396-E400 PolarHBondContact O-N 2.87Å
397E79.2Confident76.4Confident105 Ų10596.9 Ų96.949%0.49146%0.463SS..Hα-helixtrans-60.4-41.9175.1-71.4163.4-152.700111.8R393 L394 E400 S401R393-E397 WeakPolarHBondContact O-CG 3.33Å; R393-E397 PolarHBondContact O-N 2.91Å; L394-E397 PolarHBondContact O-N 3.35Å; E397-E400 PolarHBondContact O-N 2.75Å; E397-S401 WeakPolarHBondContact O-CB 3.36Å; E397-S401 PolarHBondContact O-N 2.97Å
398L67.9Low76.6Confident105 Ų105101.2 Ų101.255%0.5548%0.477SS..Hα-helixtrans-59.5-49.5173.2-177.167.5000111.2L394 R396 E400 S401 E402L394-L398 VanDerWaalsContact O-CB 3.25Å; L394-L398 WeakPolarHBondContact O-CB 3.45Å; L394-L398 PolarHBondContact O-N 3.19Å; R396-L398 VanDerWaalsContact C-N 3.35Å; R396-L398 PolarHBondContact O-N 3.12Å; L398-E400 VanDerWaalsContact C-N 3.33Å; L398-E400 PolarHBondContact O-N 2.65Å; L398-S401 CarbonylContact O-C 3.53Å; L398-S401 WeakPolarHBondContact O-CA 3.48Å; L398-S401 WeakPolarHBondContact O-CB 3.15Å; L398-S401 PolarHBondContact O-N 3.34Å; L398-E402 WeakPolarHBondContact O-CG 3.49Å; L398-E402 PolarHBondContact O-N 3.42Å
399R82.3Confident77.1Confident158 Ų158101.9 Ų101.960%0.59648%0.477SS*.Hα-helixtrans-62.2-37.9178.6-171.2-176.8-59.9136.16.1112.6T395 R396 Q403T395-R399 WeakPolarHBondContact O-CB 3.31Å; T395-R399 PolarHBondContact O-N 3.03Å; R396-R399 PolarHBondContact O-N 2.97Å; R399-Q403 PolarHBondContact O-N 2.94Å
400E82.3Confident77.1Confident88 Ų88101.1 Ų101.141%0.41148%0.479SS..Hα-helixtrans-69.2-34.4172.7-68.5-178.2-157.600112.3R396 E397 L398 Q403 R404R396-E400 WeakPolarHBondContact O-CG 3.44Å; R396-E400 PolarHBondContact O-N 2.87Å; E397-E400 PolarHBondContact O-N 2.75Å; L398-E400 VanDerWaalsContact C-N 3.33Å; L398-E400 PolarHBondContact O-N 2.65Å; E400-Q403 PolarHBondContact O-N 2.87Å; E400-R404 VanDerWaalsContact CB-NH1 3.27Å; E400-R404 WeakPolarHBondContact O-CB 3.2Å; E400-R404 VanDerWaalsContact O-CG 3.27Å; E400-R404 WeakPolarHBondContact O-CG 3.34Å; E400-R404 PolarHBondContact O-N 3.04Å; E400-R404 IonicContact OE2-CZ 3.66Å; E400-R404 IonicContact OE2-NH1 3.86Å; E400-R404 PolarHBondContact OE2-NH1 2.89Å; E400-R404 IonicContact OE2-NH2 2.62Å; E400-R404 PolarHBondContact OE2-NH2 3.49Å
401S75.5Confident77.3Confident70 Ų70101.4 Ų101.449%0.4948%0.483SS..Hα-helixtrans-67.8-39.1174.1-165.70000111.8E397 L398 R404 R405E397-S401 WeakPolarHBondContact O-CB 3.36Å; E397-S401 PolarHBondContact O-N 2.97Å; L398-S401 CarbonylContact O-C 3.53Å; L398-S401 WeakPolarHBondContact O-CA 3.48Å; L398-S401 WeakPolarHBondContact O-CB 3.15Å; L398-S401 PolarHBondContact O-N 3.34Å; S401-R404 PolarHBondContact O-N 2.89Å; S401-R405 PolarHBondContact O-N 3.2Å
402E75.2Confident77.4Confident100 Ų10098.8 Ų98.847%0.46748%0.476SS..Hα-helixtrans-63.4-43.9172-71.6-179.3137.400111.5L398 R405 T406L398-E402 WeakPolarHBondContact O-CG 3.49Å; L398-E402 PolarHBondContact O-N 3.42Å; E402-R405 WeakPolarHBondContact O-CB 3.37Å; E402-R405 PolarHBondContact O-N 3.46Å; E402-T406 PolarHBondContact O-N 2.92Å; E402-T406 PolarHBondContact O-OG1 3.23Å
403Q83.6Confident77.7Confident107 Ų10796.6 Ų96.650%0.547%0.47SS..Hα-helixtrans-60.9-46.1174.6-173.464.656.200111.5R399 E400 R405 T406 D407R399-Q403 PolarHBondContact O-N 2.94Å; E400-Q403 PolarHBondContact O-N 2.87Å; Q403-R405 VanDerWaalsContact C-N 3.27Å; Q403-R405 PolarHBondContact O-N 3.34Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.15Å; Q403-T406 PolarHBondContact NE2-OG1 2.87Å; Q403-T406 PolarHBondContact O-N 3.04Å; Q403-T406 VanDerWaalsContact O-N 3.15Å; Q403-T406 PolarHBondContact O-OG1 2.68Å; Q403-D407 PolarHBondContact NE2-OD1 3.03Å; Q403-D407 WeakPolarHBondContact O-CB 3.38Å; Q403-D407 PolarHBondContact O-N 2.84Å
404R80.5Confident78.1Confident134 Ų13493.3 Ų93.351%0.50647%0.465SS..Hα-helixtrans-59-38.3175.3-72.9172.3-168.81099.9111.9E400 S401 Q408E400-R404 VanDerWaalsContact CB-NH1 3.27Å; E400-R404 WeakPolarHBondContact O-CB 3.2Å; E400-R404 VanDerWaalsContact O-CG 3.27Å; E400-R404 WeakPolarHBondContact O-CG 3.34Å; E400-R404 PolarHBondContact O-N 3.04Å; E400-R404 IonicContact OE2-CZ 3.66Å; E400-R404 IonicContact OE2-NH1 3.86Å; E400-R404 PolarHBondContact OE2-NH1 2.89Å; E400-R404 IonicContact OE2-NH2 2.62Å; E400-R404 PolarHBondContact OE2-NH2 3.49Å; S401-R404 PolarHBondContact O-N 2.89Å; R404-Q408 WeakPolarHBondContact O-CB 3.24Å; R404-Q408 VanDerWaalsContact O-CG 3.27Å; R404-Q408 WeakPolarHBondContact O-CG 3.22Å; R404-Q408 PolarHBondContact O-N 3.36Å
405R76.2Confident78.3Confident115 Ų11593.4 Ų93.443%0.43447%0.465SS..Hα-helixtrans-65.4-45.8173.6-174.9-177.961.276.18.3111.6S401 E402 Q403 D407 Q408 E409S401-R405 PolarHBondContact O-N 3.2Å; E402-R405 WeakPolarHBondContact O-CB 3.37Å; E402-R405 PolarHBondContact O-N 3.46Å; Q403-R405 VanDerWaalsContact C-N 3.27Å; Q403-R405 PolarHBondContact O-N 3.34Å; R405-D407 VanDerWaalsContact C-N 3.31Å; R405-D407 PolarHBondContact O-N 3.47Å; R405-Q408 PolarHBondContact O-N 2.98Å; R405-E409 HydrophobicContact CG-CG 4.46Å; R405-E409 WeakPolarHBondContact CG-OE1 3.44Å; R405-E409 IonicContact CZ-OE1 2.69Å; R405-E409 IonicContact CZ-OE2 2.74Å; R405-E409 IonicContact NH1-OE1 3.67Å; R405-E409 PolarHBondContact NH1-OE1 3.46Å; R405-E409 IonicContact NH1-OE2 3.44Å; R405-E409 PolarHBondContact NH1-OE2 3.11Å; R405-E409 WeakPolarHBondContact O-CB 3.43Å; R405-E409 WeakPolarHBondContact O-CG 3.49Å; R405-E409 PolarHBondContact O-N 3.15Å
406T73Confident78.7Confident57 Ų5795.8 Ų95.835%0.3547%0.472SS..Hα-helixtrans-65.8-34.1177.6520000112.6E402 Q403 E409 S410E402-T406 PolarHBondContact O-N 2.92Å; E402-T406 PolarHBondContact O-OG1 3.23Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.15Å; Q403-T406 PolarHBondContact NE2-OG1 2.87Å; Q403-T406 PolarHBondContact O-N 3.04Å; Q403-T406 VanDerWaalsContact O-N 3.15Å; Q403-T406 PolarHBondContact O-OG1 2.68Å; T406-E409 PolarHBondContact O-N 2.77Å; T406-S410 WeakPolarHBondContact O-CB 3.47Å; T406-S410 PolarHBondContact O-N 3.48Å
407D84.3Confident78.7Confident82 Ų8295.3 Ų95.344%0.43948%0.475SS..Hα-helixtrans-66.7-44.3175.2-64.2-11.5000110.2Q403 R405 S410 L411Q403-D407 PolarHBondContact NE2-OD1 3.03Å; Q403-D407 WeakPolarHBondContact O-CB 3.38Å; Q403-D407 PolarHBondContact O-N 2.84Å; R405-D407 VanDerWaalsContact C-N 3.31Å; R405-D407 PolarHBondContact O-N 3.47Å; D407-S410 PolarHBondContact O-N 3.28Å; D407-S410 PolarHBondContact O-OG 3.07Å; D407-L411 PolarHBondContact O-N 2.98Å
408Q74.3Confident78.9Confident135 Ų13596.8 Ų96.863%0.63148%0.477SS*.Hα-helixtrans-62.7-42.2173.8-76.1174.5-7.900112.8R404 R405 L411 A412R404-Q408 WeakPolarHBondContact O-CB 3.24Å; R404-Q408 VanDerWaalsContact O-CG 3.27Å; R404-Q408 WeakPolarHBondContact O-CG 3.22Å; R404-Q408 PolarHBondContact O-N 3.36Å; R405-Q408 PolarHBondContact O-N 2.98Å; Q408-L411 PolarHBondContact O-N 3.34Å; Q408-A412 WeakPolarHBondContact O-CB 3.43Å; Q408-A412 PolarHBondContact O-N 3.34Å
409E80.4Confident79.5Confident91 Ų9199.3 Ų99.343%0.42548%0.48SS..Hα-helixtrans-63.6-41175.4-75.8167.2-176.900111.1R405 T406 L411 A412 T413R405-E409 HydrophobicContact CG-CG 4.46Å; R405-E409 WeakPolarHBondContact CG-OE1 3.44Å; R405-E409 IonicContact CZ-OE1 2.69Å; R405-E409 IonicContact CZ-OE2 2.74Å; R405-E409 IonicContact NH1-OE1 3.67Å; R405-E409 PolarHBondContact NH1-OE1 3.46Å; R405-E409 IonicContact NH1-OE2 3.44Å; R405-E409 PolarHBondContact NH1-OE2 3.11Å; R405-E409 WeakPolarHBondContact O-CB 3.43Å; R405-E409 WeakPolarHBondContact O-CG 3.49Å; R405-E409 PolarHBondContact O-N 3.15Å; T406-E409 PolarHBondContact O-N 2.77Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 2.68Å; E409-A412 PolarHBondContact O-N 2.92Å; E409-T413 PolarHBondContact O-N 2.9Å; E409-T413 PolarHBondContact O-OG1 3.46Å
410S79.1Confident79.4Confident76 Ų7695.8 Ų95.853%0.53147%0.473SS..Hα-helixtrans-63-36.5173.884.10000112.6T406 D407 S414T406-S410 WeakPolarHBondContact O-CB 3.47Å; T406-S410 PolarHBondContact O-N 3.48Å; D407-S410 PolarHBondContact O-N 3.28Å; D407-S410 PolarHBondContact O-OG 3.07Å; S410-S414 WeakPolarHBondContact O-CB 3.45Å; S410-S414 PolarHBondContact O-N 3.47Å
411L82.7Confident79.4Confident96 Ų9694.9 Ų94.950%0.50347%0.473SS..Hα-helixtrans-70.6-41.3175.8179.360.2000111.6D407 Q408 E409 S414 L415D407-L411 PolarHBondContact O-N 2.98Å; Q408-L411 PolarHBondContact O-N 3.34Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 2.68Å; L411-S414 WeakPolarHBondContact O-CB 3.29Å; L411-S414 PolarHBondContact O-N 3.3Å; L411-L415 HydrophobicContact CD1-CD1 4.43Å; L411-L415 HydrophobicContact CD1-CG 4.44Å; L411-L415 HydrophobicContact CG-CD1 4.28Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 3.27Å
412A72.8Confident79.8Confident44 Ų4494 Ų9436%0.36447%0.47SS..Hα-helixtrans-59.7-53.3175.100000110.7Q408 E409 S414 L415 E416Q408-A412 WeakPolarHBondContact O-CB 3.43Å; Q408-A412 PolarHBondContact O-N 3.34Å; E409-A412 PolarHBondContact O-N 2.92Å; A412-S414 PolarHBondContact O-N 3.24Å; A412-L415 WeakPolarHBondContact O-CA 3.17Å; A412-L415 WeakPolarHBondContact O-CB 3.38Å; A412-L415 PolarHBondContact O-N 3.13Å; A412-E416 WeakPolarHBondContact O-CG 3.23Å; A412-E416 PolarHBondContact O-N 3.08Å
413T80Confident80Confident65 Ų6593.4 Ų93.440%0.39947%0.467SS..Hα-helixtrans-61.7-31.8175.7-59.20000112.5E409 E416 Q417E409-T413 PolarHBondContact O-N 2.9Å; E409-T413 PolarHBondContact O-OG1 3.46Å; T413-E416 WeakPolarHBondContact CA-OE2 3.5Å; T413-Q417 HydrophobicContact CG2-CG 4.48Å; T413-Q417 WeakPolarHBondContact O-CB 3.48Å; T413-Q417 VanDerWaalsContact O-CG 3.22Å; T413-Q417 WeakPolarHBondContact O-CG 3.42Å; T413-Q417 PolarHBondContact O-N 2.95Å
414S85.8Confident80Confident45 Ų4596.3 Ų96.332%0.31547%0.473SS..Hα-helixtrans-68.6-30.4172.6-175.50000113.5S410 L411 A412 R418S410-S414 WeakPolarHBondContact O-CB 3.45Å; S410-S414 PolarHBondContact O-N 3.47Å; L411-S414 WeakPolarHBondContact O-CB 3.29Å; L411-S414 PolarHBondContact O-N 3.3Å; A412-S414 PolarHBondContact O-N 3.24Å; S414-R418 WeakPolarHBondContact O-CB 3.3Å; S414-R418 WeakPolarHBondContact O-CG 3.11Å; S414-R418 PolarHBondContact O-N 2.96Å; S414-R418 PolarHBondContact O-NE 2.88Å; S414-R418 PolarHBondContact OG-NH2 3.37Å
415L76.7Confident80.2Confident94 Ų9495.8 Ų95.849%0.49248%0.477SS..Hα-helixtrans-78.7-42.1174.3-70.7168.5000111.2L411 A412 Q417 R418 Y419L411-L415 HydrophobicContact CD1-CD1 4.43Å; L411-L415 HydrophobicContact CD1-CG 4.44Å; L411-L415 HydrophobicContact CG-CD1 4.28Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 3.27Å; A412-L415 WeakPolarHBondContact O-CA 3.17Å; A412-L415 WeakPolarHBondContact O-CB 3.38Å; A412-L415 PolarHBondContact O-N 3.13Å; L415-Q417 PolarHBondContact O-N 2.94Å; L415-R418 PolarHBondContact O-N 3.28Å; L415-R418 VanDerWaalsContact O-N 3.17Å; L415-Y419 WeakPolarHBondContact O-CB 3.47Å; L415-Y419 PolarHBondContact O-N 2.94Å
416E78.1Confident80.6Confident112 Ų11295.9 Ų95.952%0.52349%0.485SS..Hα-helixtrans-57.1-46.5172.3-69.2169.3166.300111.6A412 T413 R418 Y419 L420A412-E416 WeakPolarHBondContact O-CG 3.23Å; A412-E416 PolarHBondContact O-N 3.08Å; T413-E416 WeakPolarHBondContact CA-OE2 3.5Å; E416-R418 VanDerWaalsContact C-N 3.35Å; E416-R418 PolarHBondContact O-N 2.86Å; E416-Y419 PolarHBondContact O-N 2.83Å; E416-L420 WeakPolarHBondContact O-CB 3.14Å; E416-L420 WeakPolarHBondContact O-CG 3.35Å; E416-L420 PolarHBondContact O-N 2.76Å
417Q82.2Confident81.1Confident122 Ų12297.5 Ų97.557%0.5749%0.492SS*.Hα-helixtrans-62.3-40.2175.5-75.3176.716.700112.2T413 L415 L420 V421T413-Q417 HydrophobicContact CG2-CG 4.48Å; T413-Q417 WeakPolarHBondContact O-CB 3.48Å; T413-Q417 VanDerWaalsContact O-CG 3.22Å; T413-Q417 WeakPolarHBondContact O-CG 3.42Å; T413-Q417 PolarHBondContact O-N 2.95Å; L415-Q417 PolarHBondContact O-N 2.94Å; Q417-L420 PolarHBondContact O-N 3.09Å; Q417-V421 WeakPolarHBondContact O-CG2 3.42Å; Q417-V421 PolarHBondContact O-N 3.43Å
418R84.1Confident81Confident136 Ų13696.9 Ų96.951%0.51349%0.491SS..Hα-helixtrans-67-39.6175.8-83.9177.8-84.7174.6-9.5112.3S414 L415 E416 V421 A422S414-R418 WeakPolarHBondContact O-CB 3.3Å; S414-R418 WeakPolarHBondContact O-CG 3.11Å; S414-R418 PolarHBondContact O-N 2.96Å; S414-R418 PolarHBondContact O-NE 2.88Å; S414-R418 PolarHBondContact OG-NH2 3.37Å; L415-R418 PolarHBondContact O-N 3.28Å; L415-R418 VanDerWaalsContact O-N 3.17Å; E416-R418 VanDerWaalsContact C-N 3.35Å; E416-R418 PolarHBondContact O-N 2.86Å; R418-V421 PolarHBondContact O-N 3.04Å; R418-A422 WeakPolarHBondContact O-CB 3.46Å; R418-A422 PolarHBondContact O-N 3.37Å
419Y80Confident81.2Confident159 Ų15992.9 Ų92.962%0.62448%0.481SS*.Hα-helixtrans-62.9-46.1173.9-176.9-94000111.4L415 E416 V421 A422 Q423L415-Y419 WeakPolarHBondContact O-CB 3.47Å; L415-Y419 PolarHBondContact O-N 2.94Å; E416-Y419 PolarHBondContact O-N 2.83Å; Y419-V421 VanDerWaalsContact C-N 3.31Å; Y419-V421 PolarHBondContact O-N 3.45Å; Y419-A422 PolarHBondContact O-N 3.25Å; Y419-Q423 WeakPolarHBondContact O-CB 3.48Å; Y419-Q423 PolarHBondContact O-N 2.99Å
420L79.8Confident81.4Confident84 Ų8492.5 Ų92.544%0.4448%0.479SS..Hα-helixtrans-62.2-33.3175.1-80.5162.9000113.4E416 Q417 R424E416-L420 WeakPolarHBondContact O-CB 3.14Å; E416-L420 WeakPolarHBondContact O-CG 3.35Å; E416-L420 PolarHBondContact O-N 2.76Å; Q417-L420 PolarHBondContact O-N 3.09Å; L420-R424 WeakPolarHBondContact O-CD 3.32Å; L420-R424 VanDerWaalsContact O-CG 3.24Å; L420-R424 WeakPolarHBondContact O-CG 3.48Å; L420-R424 PolarHBondContact O-N 3.4Å
421V82.8Confident81.6Confident69 Ų6992.3 Ų92.342%0.41847%0.472SS..Hα-helixtrans-70.2-50.3172169.10000110.5Q417 R418 Y419 Q423 R424 E425Q417-V421 WeakPolarHBondContact O-CG2 3.42Å; Q417-V421 PolarHBondContact O-N 3.43Å; R418-V421 PolarHBondContact O-N 3.04Å; Y419-V421 VanDerWaalsContact C-N 3.31Å; Y419-V421 PolarHBondContact O-N 3.45Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 3.13Å; V421-R424 WeakPolarHBondContact O-CB 3.46Å; V421-R424 PolarHBondContact O-N 3.13Å; V421-E425 HydrophobicContact CG1-CG 4.39Å; V421-E425 WeakPolarHBondContact O-CG 3.38Å; V421-E425 PolarHBondContact O-N 3.01Å
422A85.2Confident81.5Confident51 Ų5192.6 Ų92.642%0.42147%0.472SS..Hα-helixtrans-59.3-37.3178.800000112.7R418 Y419 E425 L426R418-A422 WeakPolarHBondContact O-CB 3.46Å; R418-A422 PolarHBondContact O-N 3.37Å; Y419-A422 PolarHBondContact O-N 3.25Å; A422-E425 PolarHBondContact O-N 3.1Å; A422-L426 WeakPolarHBondContact O-CB 3.41Å; A422-L426 PolarHBondContact O-N 3.36Å
423Q78.5Confident82Confident88 Ų8892.7 Ų92.741%0.41147%0.468SS..Hα-helixtrans-69-34.5176-165.3175.215.700112.3Y419 V421 N427Y419-Q423 WeakPolarHBondContact O-CB 3.48Å; Y419-Q423 PolarHBondContact O-N 2.99Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 3.13Å; Q423-N427 WeakPolarHBondContact O-CB 3.25Å; Q423-N427 PolarHBondContact O-N 2.89Å; Q423-N427 PolarHBondContact O-OD1 3.24Å
424R83.4Confident82.2Confident167 Ų16792.6 Ų92.663%0.6347%0.465SS*.Hα-helixtrans-69.2-41.6171.6-71.5166.8-175.4173.93.4111.8L420 V421 N427 T428L420-R424 WeakPolarHBondContact O-CD 3.32Å; L420-R424 VanDerWaalsContact O-CG 3.24Å; L420-R424 WeakPolarHBondContact O-CG 3.48Å; L420-R424 PolarHBondContact O-N 3.4Å; V421-R424 WeakPolarHBondContact O-CB 3.46Å; V421-R424 PolarHBondContact O-N 3.13Å; R424-N427 PolarHBondContact O-N 2.71Å; R424-T428 WeakPolarHBondContact O-CG2 3.49Å; R424-T428 PolarHBondContact O-N 2.91Å; R424-T428 PolarHBondContact O-OG1 3.19Å
425E85Confident82.1Confident124 Ų12492.5 Ų92.558%0.57946%0.459SS*.Hα-helixtrans-61.2-45.6175.1-71.3178.9167.300110.9V421 A422 N427 T428 A429V421-E425 HydrophobicContact CG1-CG 4.39Å; V421-E425 WeakPolarHBondContact O-CG 3.38Å; V421-E425 PolarHBondContact O-N 3.01Å; A422-E425 PolarHBondContact O-N 3.1Å; E425-N427 PolarHBondContact O-N 3.16Å; E425-T428 PolarHBondContact O-N 2.75Å; E425-T428 PolarHBondContact O-OG1 3.09Å; E425-A429 WeakPolarHBondContact O-CB 3.31Å; E425-A429 PolarHBondContact O-N 2.97Å
426L85.4Confident82.4Confident116 Ų11692.3 Ų92.361%0.60746%0.458SS*.Hα-helixtrans-57.3-48.6173.4-179.661.8000112A422 T428 A429 Q430A422-L426 WeakPolarHBondContact O-CB 3.41Å; A422-L426 PolarHBondContact O-N 3.36Å; L426-T428 PolarHBondContact O-N 3.25Å; L426-A429 WeakPolarHBondContact O-CB 3.41Å; L426-A429 PolarHBondContact O-N 3.41Å; L426-Q430 PolarHBondContact O-N 3.4Å
427N83.5Confident82.6Confident91 Ų9191.9 Ų91.949%0.48745%0.452SS..Hα-helixtrans-61.6-42.2177.7-70.85.9000111.9Q423 R424 E425 A429 Q430 D431Q423-N427 WeakPolarHBondContact O-CB 3.25Å; Q423-N427 PolarHBondContact O-N 2.89Å; Q423-N427 PolarHBondContact O-OD1 3.24Å; R424-N427 PolarHBondContact O-N 2.71Å; E425-N427 PolarHBondContact O-N 3.16Å; N427-A429 VanDerWaalsContact C-N 3.33Å; N427-A429 PolarHBondContact O-N 3.46Å; N427-Q430 WeakPolarHBondContact O-CB 3.28Å; N427-Q430 PolarHBondContact O-N 3.48Å; N427-D431 PolarHBondContact O-N 2.85Å
428T81.7Confident82.7Confident69 Ų6988.9 Ų88.942%0.42345%0.448SS..Hα-helixtrans-68.8-29.4176.158.20000113.4R424 E425 L426 M432R424-T428 WeakPolarHBondContact O-CG2 3.49Å; R424-T428 PolarHBondContact O-N 2.91Å; R424-T428 PolarHBondContact O-OG1 3.19Å; E425-T428 PolarHBondContact O-N 2.75Å; E425-T428 PolarHBondContact O-OG1 3.09Å; L426-T428 PolarHBondContact O-N 3.25Å; T428-M432 WeakPolarHBondContact O-CB 3.49Å; T428-M432 VanDerWaalsContact O-CG 3.26Å; T428-M432 WeakPolarHBondContact O-CG 3.48Å; T428-M432 PolarHBondContact O-N 3.08Å
429A78.1Confident82.7Confident51 Ų5188.2 Ų88.242%0.42145%0.451SS..Hα-helixtrans-70.1-34.1170.900000111.9E425 L426 N427 T433E425-A429 WeakPolarHBondContact O-CB 3.31Å; E425-A429 PolarHBondContact O-N 2.97Å; L426-A429 WeakPolarHBondContact O-CB 3.41Å; L426-A429 PolarHBondContact O-N 3.41Å; N427-A429 VanDerWaalsContact C-N 3.33Å; N427-A429 PolarHBondContact O-N 3.46Å; A429-T433 WeakPolarHBondContact O-CB 3.31Å; A429-T433 PolarHBondContact O-N 2.91Å; A429-T433 PolarHBondContact O-OG1 2.86Å
430Q84.5Confident82.7Confident84 Ų8483.7 Ų83.739%0.39344%0.437SS..Hα-helixtrans-67.5-51173.2-175.160.13000111.3L426 N427 M432 T433 D434L426-Q430 PolarHBondContact O-N 3.4Å; N427-Q430 WeakPolarHBondContact O-CB 3.28Å; N427-Q430 PolarHBondContact O-N 3.48Å; Q430-M432 PolarHBondContact O-N 3.23Å; Q430-T433 CarbonylContact O-C 3.49Å; Q430-T433 WeakPolarHBondContact O-CA 3.47Å; Q430-T433 WeakPolarHBondContact O-CB 3.36Å; Q430-T433 PolarHBondContact O-N 3.46Å; Q430-D434 VanDerWaalsContact NE2-CG 3.27Å; Q430-D434 PolarHBondContact NE2-OD1 3.39Å; Q430-D434 PolarHBondContact NE2-OD2 3.28Å; Q430-D434 VanDerWaalsContact O-CG 3.31Å; Q430-D434 PolarHBondContact O-N 3.19Å
431D84.3Confident82.9Confident72 Ų7282.1 Ų82.139%0.38544%0.436SS..Hα-helixtrans-50.7-43.5174-76.1-19.1000112.2N427 D434 K435N427-D431 PolarHBondContact O-N 2.85Å; D431-D434 PolarHBondContact O-N 2.94Å; D431-K435 VanDerWaalsContact O-CG 3.3Å; D431-K435 WeakPolarHBondContact O-CG 3.34Å; D431-K435 PolarHBondContact O-N 2.99Å
432M80.3Confident83.1Confident101 Ų10184.8 Ų84.850%0.49844%0.442SS..Hα-helixtrans-70.4-36.5177.7-71.7-62.7-63.400112.4T428 Q430 D434 K435 L436T428-M432 WeakPolarHBondContact O-CB 3.49Å; T428-M432 VanDerWaalsContact O-CG 3.26Å; T428-M432 WeakPolarHBondContact O-CG 3.48Å; T428-M432 PolarHBondContact O-N 3.08Å; Q430-M432 PolarHBondContact O-N 3.23Å; M432-D434 VanDerWaalsContact C-N 3.33Å; M432-K435 HydrophobicContact SD-CD 4.08Å; M432-L436 WeakPolarHBondContact O-CB 3.44Å; M432-L436 WeakPolarHBondContact O-CD1 3.4Å; M432-L436 VanDerWaalsContact O-CG 3.22Å; M432-L436 WeakPolarHBondContact O-CG 3.41Å; M432-L436 PolarHBondContact O-N 2.78Å
433T82.2Confident83.1Confident46 Ų4688.3 Ų88.328%0.28245%0.448SS..Hα-helixtrans-64.6-39173.7-61.70000111.4A429 Q430 L436 R437A429-T433 WeakPolarHBondContact O-CB 3.31Å; A429-T433 PolarHBondContact O-N 2.91Å; A429-T433 PolarHBondContact O-OG1 2.86Å; Q430-T433 CarbonylContact O-C 3.49Å; Q430-T433 WeakPolarHBondContact O-CA 3.47Å; Q430-T433 WeakPolarHBondContact O-CB 3.36Å; Q430-T433 PolarHBondContact O-N 3.46Å; T433-L436 CarbonylContact O-C 3.19Å; T433-L436 PolarHBondContact O-N 2.63Å; T433-R437 PolarHBondContact O-N 3.49Å
434D84.3Confident83.3Confident63 Ų6387.6 Ų87.634%0.33745%0.453SS..Hα-helixtrans-73.9-42-178-66.1-21.4000111.7Q430 D431 M432 L436 R437 A438Q430-D434 VanDerWaalsContact NE2-CG 3.27Å; Q430-D434 PolarHBondContact NE2-OD1 3.39Å; Q430-D434 PolarHBondContact NE2-OD2 3.28Å; Q430-D434 VanDerWaalsContact O-CG 3.31Å; Q430-D434 PolarHBondContact O-N 3.19Å; D431-D434 PolarHBondContact O-N 2.94Å; M432-D434 VanDerWaalsContact C-N 3.33Å; D434-L436 PolarHBondContact O-N 2.82Å; D434-R437 CarbonylContact O-C 3.58Å; D434-R437 WeakPolarHBondContact O-CA 3.15Å; D434-R437 WeakPolarHBondContact O-CB 3.25Å; D434-R437 PolarHBondContact O-N 2.94Å; D434-R437 IonicContact OD1-CZ 2.69Å; D434-R437 IonicContact OD1-NH1 3.12Å; D434-R437 PolarHBondContact OD1-NH1 2.84Å; D434-R437 IonicContact OD1-NH2 2.66Å; D434-A438 PolarHBondContact O-N 3.32Å
435K85Confident83.5Confident43 Ų4383.4 Ų83.419%0.18745%0.446CS..Hα-helixtrans-55.6-48.7166.5-73.3166.2-179.2174.60112.2D431 M432 R437 A438 E439 L963 S964D431-K435 VanDerWaalsContact O-CG 3.3Å; D431-K435 WeakPolarHBondContact O-CG 3.34Å; D431-K435 PolarHBondContact O-N 2.99Å; M432-K435 HydrophobicContact SD-CD 4.08Å; K435-R437 PolarHBondContact O-N 3.38Å; K435-A438 PolarHBondContact O-N 3.49Å; K435-A438 VanDerWaalsContact O-N 3.13Å; K435-E439 PolarHBondContact O-N 3.26Å; K435-L963 WeakPolarHBondContact CE-O 3.34Å; K435-L963 PolarHBondContact NZ-O 2.88Å; K435-S964 PolarHBondContact NZ-OG 3.26Å
436L82.1Confident83.4Confident90 Ų9081.2 Ų81.247%0.47144%0.436SS..Hα-helixtrans-65.4-20.5176.7-72.1169.9000112.4K131 M432 T433 D434 L440K131-L436 PolarHBondContact NZ-O 3.27Å; M432-L436 WeakPolarHBondContact O-CB 3.44Å; M432-L436 WeakPolarHBondContact O-CD1 3.4Å; M432-L436 VanDerWaalsContact O-CG 3.22Å; M432-L436 WeakPolarHBondContact O-CG 3.41Å; M432-L436 PolarHBondContact O-N 2.78Å; T433-L436 CarbonylContact O-C 3.19Å; T433-L436 PolarHBondContact O-N 2.63Å; D434-L436 PolarHBondContact O-N 2.82Å; L436-L440 WeakPolarHBondContact O-CB 3.33Å; L436-L440 PolarHBondContact O-N 2.94Å
437R83.1Confident83.4Confident104 Ų10480.7 Ų80.739%0.39243%0.433SS..Hα-helixtrans-79.3-42.1171.4-160.3-170.6-77.294.4-16.7110.4T433 D434 K435 L440 A441T433-R437 PolarHBondContact O-N 3.49Å; D434-R437 CarbonylContact O-C 3.58Å; D434-R437 WeakPolarHBondContact O-CA 3.15Å; D434-R437 WeakPolarHBondContact O-CB 3.25Å; D434-R437 PolarHBondContact O-N 2.94Å; D434-R437 IonicContact OD1-CZ 2.69Å; D434-R437 IonicContact OD1-NH1 3.12Å; D434-R437 PolarHBondContact OD1-NH1 2.84Å; D434-R437 IonicContact OD1-NH2 2.66Å; K435-R437 PolarHBondContact O-N 3.38Å; R437-L440 PolarHBondContact O-N 3.41Å; R437-A441 WeakPolarHBondContact O-CB 3.43Å; R437-A441 PolarHBondContact O-N 3.06Å
438A84.4Confident83.6Confident59 Ų5982.4 Ų82.449%0.48844%0.436SS..Hα-helixtrans-63.9-45.4174.500000112.9D434 K435 L440 A441 F442D434-A438 PolarHBondContact O-N 3.32Å; K435-A438 PolarHBondContact O-N 3.49Å; K435-A438 VanDerWaalsContact O-N 3.13Å; A438-L440 VanDerWaalsContact C-N 3.32Å; A438-L440 PolarHBondContact O-N 3.46Å; A438-A441 PolarHBondContact O-N 3.37Å; A438-F442 PolarHBondContact O-N 2.56Å
439E82.7Confident83.7Confident122 Ų12283.4 Ų83.457%0.5744%0.436SS*.Hα-helixtrans-60.1-41.1174.6-75.4-178.3-172.300112K435 F442 K443K435-E439 PolarHBondContact O-N 3.26Å; E439-F442 PolarHBondContact O-N 2.9Å; E439-K443 WeakPolarHBondContact O-CB 3.43Å; E439-K443 VanDerWaalsContact O-CG 3.31Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.32Å
440L81Confident84Confident63 Ų6386 Ų8633%0.3344%0.439SS..Hα-helixtrans-70.6-35.5177.6-169.9136.9000112K131 M135 L436 R437 A438 K443 S444K131-L440 HydrophobicContact CD-CD1 4.46Å; K131-L440 HydrophobicContact CG-CD1 4Å; M135-L440 HydrophobicContact CG-CD1 4.03Å; M135-L440 HydrophobicContact SD-CD1 3.64Å; L436-L440 WeakPolarHBondContact O-CB 3.33Å; L436-L440 PolarHBondContact O-N 2.94Å; R437-L440 PolarHBondContact O-N 3.41Å; A438-L440 VanDerWaalsContact C-N 3.32Å; A438-L440 PolarHBondContact O-N 3.46Å; L440-K443 PolarHBondContact O-N 3.07Å; L440-S444 WeakPolarHBondContact O-CB 3.49Å; L440-S444 PolarHBondContact O-N 3.4Å
441A84.4Confident84.1Confident52 Ų5286.5 Ų86.543%0.4344%0.442SS..Hα-helixtrans-62.8-46.5171.700000111.6R437 A438 K443 S444 T445R437-A441 WeakPolarHBondContact O-CB 3.43Å; R437-A441 PolarHBondContact O-N 3.06Å; A438-A441 PolarHBondContact O-N 3.37Å; A441-K443 VanDerWaalsContact C-N 3.31Å; A441-K443 PolarHBondContact O-N 3.35Å; A441-S444 WeakPolarHBondContact O-CB 3.49Å; A441-S444 PolarHBondContact O-N 3.3Å; A441-S444 VanDerWaalsContact O-N 3.08Å; A441-T445 PolarHBondContact O-N 3.15Å; A441-T445 PolarHBondContact O-OG1 3.46Å
442F85.5Confident84.1Confident125 Ų12588 Ų8855%0.54845%0.446SS..Hα-helixtrans-61.8-36.5174.8-179.6-97.5000112.5A438 E439 T445 Q446A438-F442 PolarHBondContact O-N 2.56Å; E439-F442 PolarHBondContact O-N 2.9Å; F442-T445 PolarHBondContact O-OG1 2.8Å; F442-Q446 VanDerWaalsContact O-CB 3.25Å; F442-Q446 WeakPolarHBondContact O-CB 3.46Å; F442-Q446 PolarHBondContact O-N 2.95Å
443K85.7Confident84.3Confident125 Ų12588.8 Ų88.854%0.54345%0.447SS..Hα-helixtrans-69.2-34172.5-72.5-72.6164.1-169.30112.5E439 L440 A441 L447E439-K443 WeakPolarHBondContact O-CB 3.43Å; E439-K443 VanDerWaalsContact O-CG 3.31Å; E439-K443 WeakPolarHBondContact O-CG 3.38Å; E439-K443 PolarHBondContact O-N 3.32Å; L440-K443 PolarHBondContact O-N 3.07Å; A441-K443 VanDerWaalsContact C-N 3.31Å; A441-K443 PolarHBondContact O-N 3.35Å; K443-L447 WeakPolarHBondContact O-CB 3.41Å; K443-L447 PolarHBondContact O-N 2.9Å
444S83.2Confident84.4Confident73 Ų7391.1 Ų91.151%0.5146%0.461SS..Hα-helixtrans-69.1-38.8175.3-1630000112.7L440 A441 L447 K448L440-S444 WeakPolarHBondContact O-CB 3.49Å; L440-S444 PolarHBondContact O-N 3.4Å; A441-S444 WeakPolarHBondContact O-CB 3.49Å; A441-S444 PolarHBondContact O-N 3.3Å; A441-S444 VanDerWaalsContact O-N 3.08Å; S444-L447 PolarHBondContact O-N 2.85Å; S444-K448 PolarHBondContact O-N 3.05Å; S444-K448 VanDerWaalsContact O-N 3.12Å
445T86.6Confident84.5Confident78 Ų7894.7 Ų94.748%0.47947%0.47SS..Hα-helixtrans-70.6-40.9174.255.60000111.4A441 F442 L447 K448 Q449A441-T445 PolarHBondContact O-N 3.15Å; A441-T445 PolarHBondContact O-OG1 3.46Å; F442-T445 PolarHBondContact O-OG1 2.8Å; T445-L447 VanDerWaalsContact C-N 3.29Å; T445-L447 PolarHBondContact O-N 2.99Å; T445-K448 PolarHBondContact O-N 3.49Å; T445-Q449 WeakPolarHBondContact O-CG 3.3Å; T445-Q449 PolarHBondContact O-N 3.19Å
446Q84.4Confident84.5Confident79 Ų7995.9 Ų95.937%0.36948%0.481SS..Hα-helixtrans-59.7-36.4172.9176.7163.679.300112.7F442 Q450F442-Q446 VanDerWaalsContact O-CB 3.25Å; F442-Q446 WeakPolarHBondContact O-CB 3.46Å; F442-Q446 PolarHBondContact O-N 2.95Å; Q446-Q450 WeakPolarHBondContact O-CG 3.24Å; Q446-Q450 PolarHBondContact O-N 3.38Å
447L84.8Confident84.6Confident104 Ų10497.1 Ų97.155%0.54549%0.487SS..Hα-helixtrans-65.4-51.8173.6-166.484.6000111K443 S444 T445 Q449 Q450 E451K443-L447 WeakPolarHBondContact O-CB 3.41Å; K443-L447 PolarHBondContact O-N 2.9Å; S444-L447 PolarHBondContact O-N 2.85Å; T445-L447 VanDerWaalsContact C-N 3.29Å; T445-L447 PolarHBondContact O-N 2.99Å; L447-Q449 VanDerWaalsContact C-N 3.29Å; L447-Q449 PolarHBondContact O-N 3.3Å; L447-Q450 WeakPolarHBondContact O-CA 3.49Å; L447-Q450 WeakPolarHBondContact O-CB 3.46Å; L447-Q450 PolarHBondContact O-N 2.87Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.49Å; L447-E451 PolarHBondContact O-N 2.98Å
448K88.3Confident84.7Confident128 Ų12896.8 Ų96.856%0.55749%0.49SS*.Hα-helixtrans-58.5-38.6-178.7-168.5177.3-179.8-177.70112.7S444 T445 Q450 E451 E452S444-K448 PolarHBondContact O-N 3.05Å; S444-K448 VanDerWaalsContact O-N 3.12Å; T445-K448 PolarHBondContact O-N 3.49Å; K448-Q450 VanDerWaalsContact C-N 3.25Å; K448-Q450 PolarHBondContact O-N 2.96Å; K448-E451 PolarHBondContact O-N 3.42Å; K448-E452 WeakPolarHBondContact O-CB 3.14Å; K448-E452 PolarHBondContact O-N 3.3Å
449Q84Confident84.8Confident89 Ų8999 Ų9942%0.41649%0.492SS..Hα-helixtrans-64-25173.5-74.7-174.9-8.600113.8T445 L447 K453T445-Q449 WeakPolarHBondContact O-CG 3.3Å; T445-Q449 PolarHBondContact O-N 3.19Å; L447-Q449 VanDerWaalsContact C-N 3.29Å; L447-Q449 PolarHBondContact O-N 3.3Å; Q449-K453 WeakPolarHBondContact O-CG 3.46Å; Q449-K453 PolarHBondContact O-N 2.87Å
450Q83.6Confident85Confident106 Ų10699.2 Ų99.250%0.49549%0.491SS..Hα-helixtrans-84-40.5173.4-60.8-72.12200111.3Q446 L447 K448 E452 K453 V454Q446-Q450 WeakPolarHBondContact O-CG 3.24Å; Q446-Q450 PolarHBondContact O-N 3.38Å; L447-Q450 WeakPolarHBondContact O-CA 3.49Å; L447-Q450 WeakPolarHBondContact O-CB 3.46Å; L447-Q450 PolarHBondContact O-N 2.87Å; K448-Q450 VanDerWaalsContact C-N 3.25Å; K448-Q450 PolarHBondContact O-N 2.96Å; Q450-E452 PolarHBondContact O-N 3.24Å; Q450-K453 WeakPolarHBondContact O-CB 3.4Å; Q450-K453 PolarHBondContact O-N 3.05Å; Q450-K453 VanDerWaalsContact O-N 3.15Å; Q450-V454 WeakPolarHBondContact O-CG2 3.44Å; Q450-V454 PolarHBondContact O-N 3.39Å
451E85.6Confident85Confident95 Ų95100.9 Ų100.944%0.44450%0.5SS..Hα-helixtrans-57.8-37.8173.3-65.7169.316700112L447 K448 V454 R455L447-E451 WeakPolarHBondContact CD2-OE1 3.49Å; L447-E451 PolarHBondContact O-N 2.98Å; K448-E451 PolarHBondContact O-N 3.42Å; E451-V454 PolarHBondContact O-N 2.93Å; E451-R455 PolarHBondContact O-N 3.05Å
452E84.5Confident85Confident103 Ų103101.4 Ų101.448%0.48150%0.496SS..Hα-helixtrans-74.8-32.2177.1-170148.9-14800112.8K448 Q450 T456K448-E452 WeakPolarHBondContact O-CB 3.14Å; K448-E452 PolarHBondContact O-N 3.3Å; Q450-E452 PolarHBondContact O-N 3.24Å; E452-T456 WeakPolarHBondContact O-CB 3.32Å; E452-T456 PolarHBondContact O-N 2.94Å; E452-T456 PolarHBondContact O-OG1 2.67Å
453K84.7Confident85Confident117 Ų11798.8 Ų98.851%0.50949%0.49SS..Hα-helixtrans-65.1-41.3167.4-77.5169.6-176.2171.50112Q449 Q450 T456 L457Q449-K453 WeakPolarHBondContact O-CG 3.46Å; Q449-K453 PolarHBondContact O-N 2.87Å; Q450-K453 WeakPolarHBondContact O-CB 3.4Å; Q450-K453 PolarHBondContact O-N 3.05Å; Q450-K453 VanDerWaalsContact O-N 3.15Å; K453-T456 PolarHBondContact O-N 2.92Å; K453-L457 WeakPolarHBondContact O-CB 3.4Å; K453-L457 WeakPolarHBondContact O-CG 3.27Å; K453-L457 PolarHBondContact O-N 3.47Å
454V84.7Confident84.7Confident96 Ų9697 Ų9758%0.58249%0.49SS*.Hα-helixtrans-61.9-47.9174.9171.40000110.3Q450 E451 T456 L457 Q458Q450-V454 WeakPolarHBondContact O-CG2 3.44Å; Q450-V454 PolarHBondContact O-N 3.39Å; E451-V454 PolarHBondContact O-N 2.93Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.43Å; V454-L457 PolarHBondContact O-N 2.73Å; V454-L457 VanDerWaalsContact O-N 3.13Å; V454-Q458 PolarHBondContact O-N 2.9Å
455R86.4Confident84.5Confident138 Ų13899.2 Ų99.252%0.52149%0.492SS..Hα-helixtrans-60.9-37.7173.9-78.2-172.7-75138.50.6113.3E451 L457 Q458 I459E451-R455 PolarHBondContact O-N 3.05Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-L457 PolarHBondContact O-N 2.71Å; R455-Q458 PolarHBondContact O-N 3.09Å; R455-I459 WeakPolarHBondContact O-CG1 3.49Å; R455-I459 PolarHBondContact O-N 3.49Å
456T84.2Confident84.2Confident68 Ų68100.5 Ų100.542%0.41750%0.496SS..Hα-helixtrans-66.8-33.3175.1-56.70000112.5E452 K453 V454 K460E452-T456 WeakPolarHBondContact O-CB 3.32Å; E452-T456 PolarHBondContact O-N 2.94Å; E452-T456 PolarHBondContact O-OG1 2.67Å; K453-T456 PolarHBondContact O-N 2.92Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.43Å; T456-K460 VanDerWaalsContact O-CG 3.3Å; T456-K460 WeakPolarHBondContact O-CG 3.37Å; T456-K460 PolarHBondContact O-N 3.38Å
457L85Confident84.1Confident115 Ų115101.7 Ų101.760%0.60251%0.505SS*.Hα-helixtrans-75.4-36.4174.4-72.3169.5000111.9K453 V454 R455 K460 L461K453-L457 WeakPolarHBondContact O-CB 3.4Å; K453-L457 WeakPolarHBondContact O-CG 3.27Å; K453-L457 PolarHBondContact O-N 3.47Å; V454-L457 PolarHBondContact O-N 2.73Å; V454-L457 VanDerWaalsContact O-N 3.13Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-L457 PolarHBondContact O-N 2.71Å; L457-K460 PolarHBondContact O-N 2.9Å; L457-L461 PolarHBondContact O-N 3.08Å
458Q85.1Confident83.6Confident97 Ų97101.7 Ų101.745%0.45351%0.505SS..Hα-helixtrans-61.2-56173.3-170.262.554.700110.6V454 R455 K460 L461 D462V454-Q458 PolarHBondContact O-N 2.9Å; R455-Q458 PolarHBondContact O-N 3.09Å; Q458-K460 PolarHBondContact O-N 2.79Å; Q458-L461 CarbonylContact O-C 3.5Å; Q458-L461 WeakPolarHBondContact O-CA 3.47Å; Q458-L461 VanDerWaalsContact O-CB 3.31Å; Q458-L461 WeakPolarHBondContact O-CB 3.45Å; Q458-L461 PolarHBondContact O-N 2.61Å; Q458-D462 PolarHBondContact NE2-OD1 2.63Å; Q458-D462 PolarHBondContact O-N 3.18Å; Q458-D462 VanDerWaalsContact O-OD1 3.11Å
459I86.5Confident82.8Confident105 Ų105100.1 Ų100.154%0.53850%0.502SS..Hα-helixtrans-54.4-35.8178.2-66.4164000111.5R455 D462 T463R455-I459 WeakPolarHBondContact O-CG1 3.49Å; R455-I459 PolarHBondContact O-N 3.49Å; I459-D462 WeakPolarHBondContact CA-OD2 3.41Å; I459-T463 WeakPolarHBondContact O-CG2 3.42Å; I459-T463 PolarHBondContact O-N 3.29Å; I459-T463 PolarHBondContact O-OG1 3.02Å
460K86Confident82.3Confident127 Ų127101.8 Ų101.855%0.55251%0.51SS*.Hα-helixtrans-68.8-40.7174.8-78.4177.3178.6-174.90113.3T456 L457 Q458 T463 V464T456-K460 VanDerWaalsContact O-CG 3.3Å; T456-K460 WeakPolarHBondContact O-CG 3.37Å; T456-K460 PolarHBondContact O-N 3.38Å; L457-K460 PolarHBondContact O-N 2.9Å; Q458-K460 PolarHBondContact O-N 2.79Å; K460-T463 WeakPolarHBondContact CA-OG1 3.38Å; K460-T463 PolarHBondContact O-OG1 3.36Å; K460-V464 WeakPolarHBondContact O-CB 3.33Å; K460-V464 VanDerWaalsContact O-CG2 3.29Å; K460-V464 WeakPolarHBondContact O-CG2 3.29Å; K460-V464 PolarHBondContact O-N 3.2Å
461L81.8Confident81.7Confident99 Ų99100 Ų10052%0.51851%0.509SS..Hα-helixtrans-60.6-49.6173.3-177.463000109.8L457 Q458 T463 V464 E465L457-L461 PolarHBondContact O-N 3.08Å; Q458-L461 CarbonylContact O-C 3.5Å; Q458-L461 WeakPolarHBondContact O-CA 3.47Å; Q458-L461 VanDerWaalsContact O-CB 3.31Å; Q458-L461 WeakPolarHBondContact O-CB 3.45Å; Q458-L461 PolarHBondContact O-N 2.61Å; L461-T463 PolarHBondContact O-N 2.89Å; L461-V464 PolarHBondContact O-N 3.38Å; L461-V464 VanDerWaalsContact O-N 3.08Å; L461-E465 PolarHBondContact O-N 3.15Å
462D85.5Confident80.7Confident63 Ų63103.1 Ų103.134%0.33752%0.517SS..Hα-helixtrans-55.1-49.7177.9-47.6-24.8000110.7Q458 I459 V464 E465 D466Q458-D462 PolarHBondContact NE2-OD1 2.63Å; Q458-D462 PolarHBondContact O-N 3.18Å; Q458-D462 VanDerWaalsContact O-OD1 3.11Å; I459-D462 WeakPolarHBondContact CA-OD2 3.41Å; D462-V464 VanDerWaalsContact C-N 3.34Å; D462-V464 PolarHBondContact O-N 3.47Å; D462-E465 WeakPolarHBondContact O-CB 3.44Å; D462-E465 PolarHBondContact O-N 2.74Å; D462-D466 PolarHBondContact O-N 3.4Å
463T84.5Confident79.4Confident69 Ų69101.3 Ų101.342%0.42352%0.516SS..Hα-helixtrans-65.9-30.3177.454.50000114.5I459 K460 L461 D467I459-T463 WeakPolarHBondContact O-CG2 3.42Å; I459-T463 PolarHBondContact O-N 3.29Å; I459-T463 PolarHBondContact O-OG1 3.02Å; K460-T463 WeakPolarHBondContact CA-OG1 3.38Å; K460-T463 PolarHBondContact O-OG1 3.36Å; L461-T463 PolarHBondContact O-N 2.89Å; T463-D467 WeakPolarHBondContact O-CB 3.46Å; T463-D467 PolarHBondContact O-N 2.92Å
464V80.5Confident78Confident89 Ų89101.3 Ų101.354%0.53952%0.521SS..Hα-helixtrans-74.7-31.5175.61670000110.7K460 L461 D462 L468K460-V464 WeakPolarHBondContact O-CB 3.33Å; K460-V464 VanDerWaalsContact O-CG2 3.29Å; K460-V464 WeakPolarHBondContact O-CG2 3.29Å; K460-V464 PolarHBondContact O-N 3.2Å; L461-V464 PolarHBondContact O-N 3.38Å; L461-V464 VanDerWaalsContact O-N 3.08Å; D462-V464 VanDerWaalsContact C-N 3.34Å; D462-V464 PolarHBondContact O-N 3.47Å; V464-L468 VanDerWaalsContact O-CB 3.24Å; V464-L468 WeakPolarHBondContact O-CB 3.27Å; V464-L468 PolarHBondContact O-N 3.4Å; V464-L468 VanDerWaalsContact O-N 3.08Å
465E77.4Confident76.5Confident119 Ų119100 Ų10056%0.55652%0.515SS*.Hα-helixtrans-70-42.5172.5-167.5152.1-147.800111L461 D462 L468 L469L461-E465 PolarHBondContact O-N 3.15Å; D462-E465 WeakPolarHBondContact O-CB 3.44Å; D462-E465 PolarHBondContact O-N 2.74Å; E465-L468 PolarHBondContact O-N 3.37Å; E465-L469 VanDerWaalsContact O-CG 3.3Å; E465-L469 WeakPolarHBondContact O-CG 3.24Å; E465-L469 PolarHBondContact O-N 3.06Å
466D81.3Confident75Confident104 Ų10497.4 Ų97.456%0.55651%0.512SS*.Hα-helixtrans-60.2-48.1171.4-82.2-27.2000112.9D462 L468 L469 Q470D462-D466 PolarHBondContact O-N 3.4Å; D466-L468 PolarHBondContact O-N 2.98Å; D466-L469 PolarHBondContact O-N 2.78Å; D466-Q470 WeakPolarHBondContact O-CB 3.49Å; D466-Q470 PolarHBondContact O-N 3.23Å
467D81.3Confident73.5Confident105 Ų105100 Ų10056%0.56152%0.519SS*.Hα-helixtrans-59.3-36.2175.3-86.6-16.6000111.5T463 S471T463-D467 WeakPolarHBondContact O-CB 3.46Å; T463-D467 PolarHBondContact O-N 2.92Å; D467-S471 WeakPolarHBondContact O-CB 3.32Å; D467-S471 PolarHBondContact O-N 3.45Å; D467-S471 PolarHBondContact O-OG 2.87Å
468L74.2Confident71.6Confident104 Ų104103.1 Ų103.155%0.54553%0.528SS..Hα-helixtrans-73.8-34.6177.7-165.5146.8000111.8V464 E465 D466 S471 R472V464-L468 VanDerWaalsContact O-CB 3.24Å; V464-L468 WeakPolarHBondContact O-CB 3.27Å; V464-L468 PolarHBondContact O-N 3.4Å; V464-L468 VanDerWaalsContact O-N 3.08Å; E465-L468 PolarHBondContact O-N 3.37Å; D466-L468 PolarHBondContact O-N 2.98Å; L468-S471 WeakPolarHBondContact CA-OG 3.36Å; L468-S471 PolarHBondContact O-OG 2.82Å; L468-S471 VanDerWaalsContact O-OG 3.14Å; L468-R472 VanDerWaalsContact O-CB 3.23Å; L468-R472 WeakPolarHBondContact O-CB 3.38Å; L468-R472 PolarHBondContact O-N 3.34Å; L468-R472 VanDerWaalsContact O-N 3.11Å
469L71.6Confident70Confident95 Ų95103.3 Ų103.350%0.49753%0.532SS..Hα-helixtrans-69.1-40.2170.6-71169.8000112E465 D466 R472 S473E465-L469 VanDerWaalsContact O-CG 3.3Å; E465-L469 WeakPolarHBondContact O-CG 3.24Å; E465-L469 PolarHBondContact O-N 3.06Å; D466-L469 PolarHBondContact O-N 2.78Å; L469-R472 WeakPolarHBondContact O-CB 3.38Å; L469-R472 PolarHBondContact O-N 3.49Å; L469-S473 PolarHBondContact O-N 3.17Å
470Q73.1Confident68.3Low123 Ų123102.8 Ų102.858%0.57553%0.534SS*.Hα-helixtrans-70.4-41.6179-167.5177.554.500112.1D466 R472 S473 L474D466-Q470 WeakPolarHBondContact O-CB 3.49Å; D466-Q470 PolarHBondContact O-N 3.23Å; Q470-R472 VanDerWaalsContact C-N 3.29Å; Q470-R472 PolarHBondContact O-N 3.45Å; Q470-S473 PolarHBondContact O-N 3.46Å; Q470-S473 PolarHBondContact O-OG 3.01Å; Q470-L474 WeakPolarHBondContact O-CG 3.24Å; Q470-L474 PolarHBondContact O-N 2.94Å
471S71Confident66.3Low68 Ų68104.9 Ų104.948%0.47654%0.543SS..Hα-helixtrans-64.9-33.7172.754.50000112.3D467 L468 S475D467-S471 WeakPolarHBondContact O-CB 3.32Å; D467-S471 PolarHBondContact O-N 3.45Å; D467-S471 PolarHBondContact O-OG 2.87Å; L468-S471 WeakPolarHBondContact CA-OG 3.36Å; L468-S471 PolarHBondContact O-OG 2.82Å; L468-S471 VanDerWaalsContact O-OG 3.14Å; S471-S475 PolarHBondContact O-N 3.02Å
472R64.8Low64.4Low161 Ų161104.4 Ų104.461%0.60855%0.547SS*.Hα-helixtrans-66.5-38171.5-167174.9-172.1178.70.8112.7L468 L469 Q470 S475 N476L468-R472 VanDerWaalsContact O-CB 3.23Å; L468-R472 WeakPolarHBondContact O-CB 3.38Å; L468-R472 PolarHBondContact O-N 3.34Å; L468-R472 VanDerWaalsContact O-N 3.11Å; L469-R472 WeakPolarHBondContact O-CB 3.38Å; L469-R472 PolarHBondContact O-N 3.49Å; Q470-R472 VanDerWaalsContact C-N 3.29Å; Q470-R472 PolarHBondContact O-N 3.45Å; R472-S475 PolarHBondContact O-N 2.81Å; R472-N476 VanDerWaalsContact O-CG 3.29Å; R472-N476 PolarHBondContact O-N 2.89Å; R472-N476 PolarHBondContact O-ND2 2.73Å
473S57.5Low62.3Low66 Ų66108.4 Ų108.446%0.46257%0.568SS.*Hα-helixtrans-69.8-39.2176.879.50000112.5L469 Q470 S475 N476 H477L469-S473 PolarHBondContact O-N 3.17Å; Q470-S473 PolarHBondContact O-N 3.46Å; Q470-S473 PolarHBondContact O-OG 3.01Å; S473-S475 PolarHBondContact O-N 3.46Å; S473-N476 PolarHBondContact O-N 2.86Å; S473-H477 PolarHBondContact O-N 2.9Å
474L55.9Low60.1Low117 Ų117114.7 Ų114.761%0.61359%0.59SS**Hα-helixtrans-62.7-39.7172.7-71.5172.1000112.3Q470 H477 F478Q470-L474 WeakPolarHBondContact O-CG 3.24Å; Q470-L474 PolarHBondContact O-N 2.94Å; L474-H477 PolarHBondContact O-N 3.05Å; L474-F478 PolarHBondContact O-N 3.32Å
475S53.3Low57.8Low68 Ų68116.2 Ų116.248%0.47660%0.599SS.*Hα-helixtrans-60.7-44.8172.4-166.70000111.7S471 R472 S473 H477 F478 L479S471-S475 PolarHBondContact O-N 3.02Å; R472-S475 PolarHBondContact O-N 2.81Å; S473-S475 PolarHBondContact O-N 3.46Å; S475-H477 VanDerWaalsContact C-N 3.33Å; S475-H477 PolarHBondContact O-N 3.07Å; S475-F478 PolarHBondContact O-N 3.29Å; S475-F478 VanDerWaalsContact O-N 3.15Å; S475-L479 PolarHBondContact O-N 2.82Å; S475-L479 VanDerWaalsContact O-N 3.16Å
476N55.3Low55.7Low84 Ų84119.3 Ų119.345%0.44961%0.611SS.*Hα-helixtrans-64.5-31.6178.4-72.8-17000113.4R472 S473 F478 L479 T480R472-N476 VanDerWaalsContact O-CG 3.29Å; R472-N476 PolarHBondContact O-N 2.89Å; R472-N476 PolarHBondContact O-ND2 2.73Å; S473-N476 PolarHBondContact O-N 2.86Å; N476-F478 VanDerWaalsContact C-N 3.32Å; N476-F478 PolarHBondContact O-N 3Å; N476-L479 PolarHBondContact O-N 3.4Å; N476-T480 WeakPolarHBondContact O-CB 3.49Å; N476-T480 WeakPolarHBondContact O-CG2 3.37Å; N476-T480 PolarHBondContact O-N 2.82Å; N476-T480 PolarHBondContact O-OG1 3.01Å
477H52.2Low53.4Low122 Ų122125.6 Ų125.657%0.56563%0.628SS**Hα-helixtrans-65.9-35.1174.6-164.5-24.6000111.8S473 L474 S475 T480S473-H477 PolarHBondContact O-N 2.9Å; L474-H477 PolarHBondContact O-N 3.05Å; S475-H477 VanDerWaalsContact C-N 3.33Å; S475-H477 PolarHBondContact O-N 3.07Å; H477-T480 WeakPolarHBondContact CA-OG1 3.46Å; H477-T480 PolarHBondContact O-OG1 2.89Å
478F45.9Very low51Low180 Ų180127.3 Ų127.379%0.78964%0.636SS**Hα-helixtrans-70.6-39.5174.3-106.7-86.6000112.5L474 S475 N476L474-F478 PolarHBondContact O-N 3.32Å; S475-F478 PolarHBondContact O-N 3.29Å; S475-F478 VanDerWaalsContact O-N 3.15Å; N476-F478 VanDerWaalsContact C-N 3.32Å; N476-F478 PolarHBondContact O-N 3Å
479L50.5Low49Very low101 Ų101129.9 Ų129.953%0.52965%0.65SS.*Hα-helixtrans-70.8-40.8179.7-67.7173.3000113.1S475 N476 K481 S482 L483S475-L479 PolarHBondContact O-N 2.82Å; S475-L479 VanDerWaalsContact O-N 3.16Å; N476-L479 PolarHBondContact O-N 3.4Å; L479-K481 VanDerWaalsContact C-N 3.28Å; L479-K481 PolarHBondContact O-N 3.31Å; L479-S482 WeakPolarHBondContact O-CB 3.13Å; L479-S482 PolarHBondContact O-N 3.29Å; L479-L483 PolarHBondContact O-N 2.98Å
480T50.6Low47Very low95 Ų95132.3 Ų132.358%0.58366%0.664SS**Hα-helixtrans-64.3-28.7-18045.60000113.5N476 H477 S482N476-T480 WeakPolarHBondContact O-CB 3.49Å; N476-T480 WeakPolarHBondContact O-CG2 3.37Å; N476-T480 PolarHBondContact O-N 2.82Å; N476-T480 PolarHBondContact O-OG1 3.01Å; H477-T480 WeakPolarHBondContact CA-OG1 3.46Å; H477-T480 PolarHBondContact O-OG1 2.89Å; T480-S482 VanDerWaalsContact C-N 3.29Å; T480-S482 PolarHBondContact O-N 3.12Å
481K43.2Very low44.8Very low171 Ų171135 Ų13574%0.74368%0.677SS**Hα-helixtrans-74-14.4171-109.1-177.2178.7177.70114.4L479L479-K481 VanDerWaalsContact C-N 3.28Å; L479-K481 PolarHBondContact O-N 3.31Å
482S42.5Very low43Very low88 Ų88137.3 Ų137.362%0.61569%0.687SS**Hα-helixtrans-96-19.2-175.4-166.40000114.1L479 T480L479-S482 WeakPolarHBondContact O-CB 3.13Å; L479-S482 PolarHBondContact O-N 3.29Å; T480-S482 VanDerWaalsContact C-N 3.29Å; T480-S482 PolarHBondContact O-N 3.12Å
483L41.9Very low41.3Very low147 Ų147136 Ų13677%0.7769%0.693SS**Hα-helixtrans-113.4-6.2-171.1-94.6163.7000116.3L479 T485L479-L483 PolarHBondContact O-N 2.98Å; L483-T485 PolarHBondContact O-N 2.97Å
484K38.8Very low40.1Very low202 Ų202139.7 Ų139.788%0.87871%0.705SS**SBendtrans-79.75.7175.2-138.1174.7-174.2-179.40114.2
485T32.2Very low38.9Very low120 Ų120140.1 Ų140.174%0.73671%0.708SS**SBendtrans-98.730.6-177.3-4.50000113.8L483L483-T485 PolarHBondContact O-N 2.97Å
486K32.3Very low37.9Very low184 Ų184143.1 Ų143.180%0.872%0.719SS**SBendtrans-162.883.9167.3-118.1179.4-174.7-1780112
487Y34.1Very low36.8Very low236 Ų236145.6 Ų145.693%0.92573%0.733SS**  -171.1125.5129.6-98-65.9000107
488I30.9Very low35.9Very low142 Ų142148 Ų14873%0.72874%0.744SS**  trans-121.1127.3-177-63170.1000106.7
489N31.6Very low35.3Very low157 Ų157147 Ų14784%0.8475%0.747SS**  trans179.6141.1139.1-88.7-7.1000107
490D29.6Very low34.6Very low147 Ų147151.5 Ų151.579%0.78677%0.765SS**  trans-108.2-178.2-166-58.2-85.2000112.6
491E27.9Very low34Very low180 Ų180155.3 Ų155.384%0.84178%0.782SS**  trans95.989.9144.3-125.2155.7-151.700120.9
492V33.2Very low33.6Very low115 Ų115156.3 Ų156.370%0.69779%0.789SS**  87.7114.3117.9166.10000122.1
493D28.1Very low33.2Very low135 Ų135160.1 Ų160.172%0.72280%0.803SS**  trans61.9141.7137.2-60.1-8.3000126.2
494I31.3Very low32.6Very low142 Ų142160.1 Ų160.173%0.72880%0.803SS**  124.8133.9118.9-107.1162.4000120
495D31.3Very low32.3Very low126 Ų126156.8 Ų156.867%0.67479%0.794SS**  trans64.7114.8162.1-56.7-6.5000124.3
496D33.7Very low32.1Very low132 Ų132158.1 Ų158.171%0.70680%0.797SS**  71.5113.7123.1-55.4-2.3000124.9
497D30.8Very low31.9Very low136 Ų136154.1 Ų154.173%0.72780%0.798SS**  67.4131.4124.2-61.6-9.6000125.6
498E32.9Very low31.5Very low172 Ų172146.5 Ų146.580%0.80479%0.791SS**  trans52.297.4141.3-61.7-175.6162.800120.3
499D34.9Very low31.5Very low160 Ų160146.3 Ų146.386%0.85680%0.797SS**  175.9128.594.6-95.3-27.5000110.5
500E35.7Very low31.4Very low195 Ų195146.2 Ų146.291%0.91179%0.791SS**  trans-103.4115.6-173.9-67.6-178.2145.500113.2
501D37.3Very low31.2Very low174 Ų174147.9 Ų147.993%0.9379%0.788SS**  trans-90.7101.3163.1-77.8-48.5000109.5
502E34.9Very low31.4Very low192 Ų192145.8 Ų145.890%0.89778%0.782SS**  trans-127.4111.7163.5-76.5-152.6153.400112.5
503D32.9Very low30.9Very low168 Ų168148.2 Ų148.290%0.89879%0.786SS**  trans-95.7106.2164.8-86.3-51.5000109.2
504D31.3Very low30.8Very low147 Ų147148 Ų14879%0.78678%0.781SS**  trans-161.4137.1156.5-122.9-10.1000117
505I31.3Very low30.6Very low132 Ų132145 Ų14568%0.67777%0.766SS**  trans72.2119.5145.8-68.8157.9000123.3
506N27.9Very low30.3Very low149 Ų149142 Ų14280%0.79776%0.759SS**  trans68.9107.6148.2-83-16.4000124.4
507A28.7Very low29.8Very low99 Ų99139.6 Ų139.682%0.81875%0.752SS**  48.1123.810700000121.8
508G25.9Very low29.7Very low77 Ų77138.5 Ų138.579%0.79476%0.755SS**  trans166.3129.2157.800000115.1
509T30.8Very low29.8Very low137 Ų137137.9 Ų137.984%0.8476%0.757SS**  trans-66.3149.6163.546.50000112.2
510E28.3Very low29.8Very low156 Ų156138 Ų13873%0.72975%0.752SS**  -174123129.1-103.1-169.1-177.500115.2
511Y26.1Very low29.6Very low182 Ų182134.9 Ų134.971%0.71475%0.752SS**  trans62.4150.8144-60.5-55.2000126.4
512N31.9Very low29.7Very low135 Ų135134.1 Ų134.172%0.72275%0.748SS**  trans78.899.6162.7-44.9-66.7000114.9
513E24Very low30.4Very low166 Ų166130.2 Ų130.278%0.77674%0.739SS**  64.8135.460.4-61.5-168137.200115.1
514E25.4Very low30.1Very low130 Ų130130.6 Ų130.661%0.60774%0.736SS**  trans67.3144.7152.9-76.3-165.117400118.1
515N26.2Very low30Very low79 Ų79131 Ų13142%0.42274%0.737SS.*  cis-163.2175.811.7-139.3-45.4000113.7N923N515-N923 VanDerWaalsContact CG-ND2 3.26Å; N515-N923 PolarHBondContact ND2-ND2 3.33Å; N515-N923 PolarHBondContact OD1-ND2 2.85Å
516A26.5Very low29.8Very low64 Ų64131.5 Ų131.553%0.52974%0.74SS.*  trans74.9114.614500000122.2
517C23.1Very low29.8Very low81 Ų81132.3 Ų132.355%0.54774%0.744SS.*  53105.9129.6-62.90000120.9N920C517-N920 PolarHBondContact SG-ND2 3.44Å; C517-N920 VanDerWaalsContact SG-ND2 3.39Å; C517-N920 PolarHBondContact SG-OD1 2.98Å; C517-N920 VanDerWaalsContact SG-OD1 3.34Å
518S28Very low29.9Very low113 Ų113136.2 Ų136.279%0.7974%0.743SS**  -179.7131.7118.2-78.50000111.4
519D34.1Very low29.9Very low159 Ų159141.5 Ų141.585%0.8575%0.747SS**  trans-171.4151.4161.3-100.5-28.3000109.1
520E36.7Very low30Very low163 Ų163143.1 Ų143.176%0.76275%0.749SS**  cis-150.1136.4-0.9-160.7-179.8-163.900109.5
521S31.1Very low29.9Very low129 Ų129140.9 Ų140.990%0.90275%0.75SS**  trans-175.569.8165.1-82.80000110.6
522N39.7Very low29.9Very low158 Ų158141.6 Ų141.685%0.84576%0.76SS**PPolyproline II helixtrans-100.7149.1-174.1-127.1-13.1000112
523P47.8Very low29.7Very low111 Ų111138.6 Ų138.672%0.72176%0.761SS**PPolyproline II helixtrans-99.2161.5-164.238.3-35.8000115.5
524E27.7Very low30.1Very low176 Ų176140 Ų14082%0.82277%0.768SS**PPolyproline II helixtrans-66.7144.1159.2-57176.610700111.1
525L28.2Very low30.1Very low154 Ų154142.1 Ų142.181%0.80678%0.783SS**  172.5131.9107-91.3172.1000115.5
526L27.3Very low30.4Very low143 Ų143147.7 Ų147.775%0.74981%0.806SS**  trans6284.2136.5-152.773.5000120.4
527N27.5Very low30.5Very low166 Ų166153.3 Ų153.389%0.88882%0.821SS**  trans-58140.7154.6-171.53000111.2
528K31.2Very low31.1Very low182 Ų182158.4 Ų158.479%0.79184%0.837SS**  trans-132.3133.6-167.9-162.2173.7-174.7177.80114
529Q25.8Very low31.5Very low187 Ų187160.8 Ų160.887%0.87484%0.841SS**  trans-81.8140.3-173-57.1161.4-62.300113.6
530I32.5Very low31.8Very low171 Ų171157.7 Ų157.788%0.87782%0.824SS**  trans-148.3136.8151.8-53.6179.6000105.5
531S26.4Very low32.4Very low109 Ų109152.5 Ų152.576%0.76281%0.806SS**  cis158.9144.2-20178.20000104.3
532E27.1Very low33.5Very low197 Ų197153 Ų15392%0.92180%0.797SS**  trans-91.9170.7-174.7-58.1175.1117.300113.1
533G27.2Very low34.3Very low72 Ų72149.9 Ų149.974%0.74278%0.784SS**  trans127.9142.4172.700000113.5
534E31.6Very low34.6Very low195 Ų195148.9 Ų148.991%0.91177%0.773SS**  cis-142.9174.1-9.1-71.6-171.7109.500109.9
535L26.6Very low36.1Very low176 Ų176144.3 Ų144.392%0.92175%0.753SS**  trans-115.7114.1180-82.9166.3000111.1
536E31.4Very low37.7Very low195 Ų195142.8 Ų142.891%0.91174%0.742SS**  trans-122151.9166.3-68.2-159128.400112.3
537Q29.6Very low39.5Very low183 Ų183140 Ų14086%0.85573%0.728SS**  trans-113.4124.3-175.4-62.9176.3-6.200110.2
538E35.4Very low41.4Very low188 Ų188137.9 Ų137.988%0.87971%0.711SS**  trans-136149.6161.6-95.7-170152.400111.7D540E538-D540 PolarHBondContact O-N 2.91Å
539N36.9Very low43.1Very low162 Ų162137.1 Ų137.187%0.86670%0.703SS**  trans-103.177.3-160.1-68.1-74000112.5
540D40.5Very low45.3Very low95 Ų95133.1 Ų133.151%0.50869%0.687SS.*  trans-77.3155172.9-80.4-31.2000113.3E538 K548E538-D540 PolarHBondContact O-N 2.91Å; D540-K548 IonicContact OD2-NZ 3.08Å; D540-K548 PolarHBondContact OD2-NZ 3.25Å; D540-K548 VanDerWaalsContact OD2-NZ 3.08Å
541S49.5Very low47.2Very low53 Ų53134 Ų13437%0.37168%0.679SS.*  trans-61.4149.6-176.192.10000113.8T543 D544 L545S541-T543 PolarHBondContact O-N 2.9Å; S541-T543 PolarHBondContact OG-OG1 3.37Å; S541-D544 PolarHBondContact O-N 3.11Å; S541-D544 PolarHBondContact OG-N 2.73Å; S541-D544 PolarHBondContact OG-OD2 3.31Å; S541-L545 WeakPolarHBondContact O-CB 3.21Å; S541-L545 PolarHBondContact O-N 2.91Å
542I54.2Low49.3Very low140 Ų140135.9 Ų135.972%0.71867%0.673SS**Hα-helixtrans-56.3-37.8-179-69.6174.4000112.1L545 E546I542-L545 WeakPolarHBondContact O-CB 3.4Å; I542-L545 PolarHBondContact O-N 3.1Å; I542-E546 WeakPolarHBondContact O-CB 3.4Å; I542-E546 PolarHBondContact O-N 3.28Å
543T55.1Low51.6Low93 Ų93130.9 Ų130.957%0.57165%0.652SS**Hα-helixtrans-67.6-36178.335.50000113.1S541 N547S541-T543 PolarHBondContact O-N 2.9Å; S541-T543 PolarHBondContact OG-OG1 3.37Å; T543-N547 PolarHBondContact O-N 3.48Å; T543-N547 VanDerWaalsContact O-N 3.16Å; T543-N547 PolarHBondContact O-ND2 3.24Å
544D55.4Low53.7Low90 Ų90135.3 Ų135.348%0.48165%0.651SS.*Hα-helixtrans-74.9-37.9173.1-65.8-61.5000110.8S541 E546 N547 K548S541-D544 PolarHBondContact O-N 3.11Å; S541-D544 PolarHBondContact OG-N 2.73Å; S541-D544 PolarHBondContact OG-OD2 3.31Å; D544-E546 VanDerWaalsContact C-N 3.31Å; D544-E546 PolarHBondContact O-N 3.36Å; D544-N547 PolarHBondContact O-N 2.91Å; D544-K548 WeakPolarHBondContact O-CB 3.32Å; D544-K548 PolarHBondContact O-N 3.29Å
545L59Low55.6Low80 Ų80129.4 Ų129.442%0.41963%0.631SS.*Hα-helixtrans-60.6-39.4175.4-154.477.2000111.9S541 I542 R549S541-L545 WeakPolarHBondContact O-CB 3.21Å; S541-L545 PolarHBondContact O-N 2.91Å; I542-L545 WeakPolarHBondContact O-CB 3.4Å; I542-L545 PolarHBondContact O-N 3.1Å; L545-R549 WeakPolarHBondContact O-CB 3.28Å; L545-R549 VanDerWaalsContact O-CG 3.31Å; L545-R549 WeakPolarHBondContact O-CG 3.48Å; L545-R549 PolarHBondContact O-N 3.11Å
546E62.1Low57.8Low121 Ų121125.7 Ų125.757%0.56561%0.611SS**Hα-helixtrans-71.2-43.3176.1-173152.1-126.700112.2I542 D544 K548 R549 I550I542-E546 WeakPolarHBondContact O-CB 3.4Å; I542-E546 PolarHBondContact O-N 3.28Å; D544-E546 VanDerWaalsContact C-N 3.31Å; D544-E546 PolarHBondContact O-N 3.36Å; E546-K548 VanDerWaalsContact C-N 3.33Å; E546-K548 PolarHBondContact O-N 2.87Å; E546-R549 WeakPolarHBondContact O-CB 3.14Å; E546-R549 PolarHBondContact O-N 3.13Å; E546-I550 HydrophobicContact CG-CD1 4.22Å; E546-I550 WeakPolarHBondContact O-CG1 3.34Å; E546-I550 PolarHBondContact O-N 3.38Å
547N64.5Low59.9Low84 Ų84124.5 Ų124.545%0.44960%0.598SS.*Hα-helixtrans-61.3-40171.6-83.8-66.3000112.4T543 D544 I550 R551T543-N547 PolarHBondContact O-N 3.48Å; T543-N547 VanDerWaalsContact O-N 3.16Å; T543-N547 PolarHBondContact O-ND2 3.24Å; D544-N547 PolarHBondContact O-N 2.91Å; N547-I550 PolarHBondContact O-N 3.08Å; N547-R551 VanDerWaalsContact O-CB 3.3Å; N547-R551 WeakPolarHBondContact O-CB 3.19Å; N547-R551 PolarHBondContact O-N 2.86Å
548K67.2Low62Low122 Ų122118.4 Ų118.453%0.5358%0.575SS.*Hα-helixtrans-66-38.6176-160.6167.9-172.6174.30110D540 D544 E546 K552D540-K548 IonicContact OD2-NZ 3.08Å; D540-K548 PolarHBondContact OD2-NZ 3.25Å; D540-K548 VanDerWaalsContact OD2-NZ 3.08Å; D544-K548 WeakPolarHBondContact O-CB 3.32Å; D544-K548 PolarHBondContact O-N 3.29Å; E546-K548 VanDerWaalsContact C-N 3.33Å; E546-K548 PolarHBondContact O-N 2.87Å; K548-K552 WeakPolarHBondContact O-CB 3.14Å; K548-K552 PolarHBondContact O-N 3.02Å
549R68.2Low63.8Low167 Ų167110.9 Ų110.963%0.6355%0.546SS*.Hα-helixtrans-61.9-52168.9-79.4176.4177.7-156.7-0.4112.3L545 E546 R551 K552 I553L545-R549 WeakPolarHBondContact O-CB 3.28Å; L545-R549 VanDerWaalsContact O-CG 3.31Å; L545-R549 WeakPolarHBondContact O-CG 3.48Å; L545-R549 PolarHBondContact O-N 3.11Å; E546-R549 WeakPolarHBondContact O-CB 3.14Å; E546-R549 PolarHBondContact O-N 3.13Å; R549-R551 VanDerWaalsContact C-N 3.34Å; R549-R551 PolarHBondContact O-N 3.49Å; R549-K552 CarbonylContact O-C 3.59Å; R549-K552 PolarHBondContact O-N 3.03Å; R549-I553 WeakPolarHBondContact O-CB 3.28Å; R549-I553 VanDerWaalsContact O-CG1 3.25Å; R549-I553 WeakPolarHBondContact O-CG1 3.31Å; R549-I553 PolarHBondContact O-N 3.25Å
550I71.3Confident65.6Low103 Ų103107.7 Ų107.753%0.52853%0.528SS..Hα-helixtrans-59.6-44.7-179.8-68.3165.4000110.8E546 N547 I553 K554E546-I550 HydrophobicContact CG-CD1 4.22Å; E546-I550 WeakPolarHBondContact O-CG1 3.34Å; E546-I550 PolarHBondContact O-N 3.38Å; N547-I550 PolarHBondContact O-N 3.08Å; I550-I553 PolarHBondContact O-N 3.13Å; I550-K554 PolarHBondContact O-N 3.03Å
551R72.7Confident67.2Low190 Ų190111 Ų11172%0.71754%0.538SS*.Hα-helixtrans-64.9-41.2178.1-150.7178.4-60.6171.42.8111.5N547 R549 K554 S555N547-R551 VanDerWaalsContact O-CB 3.3Å; N547-R551 WeakPolarHBondContact O-CB 3.19Å; N547-R551 PolarHBondContact O-N 2.86Å; R549-R551 VanDerWaalsContact C-N 3.34Å; R549-R551 PolarHBondContact O-N 3.49Å; R551-K554 PolarHBondContact O-N 3.04Å; R551-S555 WeakPolarHBondContact O-CB 3.22Å; R551-S555 PolarHBondContact O-N 3.35Å
552K70.3Confident68.3Low147 Ų147115.4 Ų115.464%0.63955%0.547SS*.Hα-helixtrans-67.3-37.8174.6-162.5168.2-173.6175.20112.1K548 R549 S555 I556K548-K552 WeakPolarHBondContact O-CB 3.14Å; K548-K552 PolarHBondContact O-N 3.02Å; R549-K552 CarbonylContact O-C 3.59Å; R549-K552 PolarHBondContact O-N 3.03Å; K552-S555 PolarHBondContact O-N 3.29Å; K552-I556 HydrophobicContact CG-CD1 4.04Å; K552-I556 WeakPolarHBondContact O-CB 3.34Å; K552-I556 VanDerWaalsContact O-CG1 3.22Å; K552-I556 WeakPolarHBondContact O-CG1 3.49Å; K552-I556 PolarHBondContact O-N 3.45Å
553I74.2Confident69.3Low92 Ų92114 Ų11447%0.47254%0.54SS..Hα-helixtrans-65.6-42.8173.7-70.5163.3000111.3R549 I550 S555 I556 R557R549-I553 WeakPolarHBondContact O-CB 3.28Å; R549-I553 VanDerWaalsContact O-CG1 3.25Å; R549-I553 WeakPolarHBondContact O-CG1 3.31Å; R549-I553 PolarHBondContact O-N 3.25Å; I550-I553 PolarHBondContact O-N 3.13Å; I553-S555 VanDerWaalsContact C-N 3.34Å; I553-I556 PolarHBondContact O-N 3.04Å; I553-R557 VanDerWaalsContact O-CB 3.29Å; I553-R557 WeakPolarHBondContact O-CB 3.37Å; I553-R557 PolarHBondContact O-N 3.42Å
554K72.3Confident70.3Confident166 Ų166115.7 Ų115.772%0.72254%0.541SS*.Hα-helixtrans-64.7-38.8175.7-169.6175.2-179.3179.90111.6I550 R551 R557 S558I550-K554 PolarHBondContact O-N 3.03Å; R551-K554 PolarHBondContact O-N 3.04Å; K554-R557 PolarHBondContact O-N 2.94Å; K554-S558 PolarHBondContact O-N 3.27Å
555S70.4Confident71.2Confident70 Ų70119.1 Ų119.149%0.4955%0.549SS..Hα-helixtrans-65.6-48174-178.50000112.3R551 K552 I553 R557 S558 A559R551-S555 WeakPolarHBondContact O-CB 3.22Å; R551-S555 PolarHBondContact O-N 3.35Å; K552-S555 PolarHBondContact O-N 3.29Å; I553-S555 VanDerWaalsContact C-N 3.34Å; S555-R557 VanDerWaalsContact C-N 3.31Å; S555-R557 PolarHBondContact O-N 3.22Å; S555-S558 PolarHBondContact O-N 2.81Å; S555-S558 PolarHBondContact O-OG 2.73Å; S555-A559 WeakPolarHBondContact O-CB 3.33Å; S555-A559 PolarHBondContact O-N 3.37Å
556I74.1Confident72Confident99 Ų99118.2 Ų118.251%0.50855%0.549SS..Hα-helixtrans-59.3-42.1174.3-71.2164.6000110.6K552 I553 A559 L560K552-I556 HydrophobicContact CG-CD1 4.04Å; K552-I556 WeakPolarHBondContact O-CB 3.34Å; K552-I556 VanDerWaalsContact O-CG1 3.22Å; K552-I556 WeakPolarHBondContact O-CG1 3.49Å; K552-I556 PolarHBondContact O-N 3.45Å; I553-I556 PolarHBondContact O-N 3.04Å; I556-A559 PolarHBondContact O-N 3.03Å; I556-L560 WeakPolarHBondContact O-CB 3.43Å; I556-L560 PolarHBondContact O-N 3.49Å
557R75.7Confident72.7Confident169 Ų169121 Ų12164%0.63855%0.554SS**Hα-helixtrans-66.5-36.7178.5-168.9-179.3-66173.7-0.9112.8I553 K554 S555 K561I553-R557 VanDerWaalsContact O-CB 3.29Å; I553-R557 WeakPolarHBondContact O-CB 3.37Å; I553-R557 PolarHBondContact O-N 3.42Å; K554-R557 PolarHBondContact O-N 2.94Å; S555-R557 VanDerWaalsContact C-N 3.31Å; S555-R557 PolarHBondContact O-N 3.22Å; R557-K561 PolarHBondContact O-N 3.44Å
558S73.8Confident73.5Confident55 Ų55125.1 Ų125.139%0.38556%0.564SS.*Hα-helixtrans-76.7-33.5176.376.10000112.7K554 S555 R562K554-S558 PolarHBondContact O-N 3.27Å; S555-S558 PolarHBondContact O-N 2.81Å; S555-S558 PolarHBondContact O-OG 2.73Å; S558-R562 PolarHBondContact O-N 2.89Å; S558-R562 PolarHBondContact O-NE 3.36Å
559A72.2Confident74.1Confident31 Ų31122.5 Ų122.526%0.25656%0.555SS.*Hα-helixtrans-65.3-43.1169.800000111.5S555 I556 R562 N563S555-A559 WeakPolarHBondContact O-CB 3.33Å; S555-A559 PolarHBondContact O-N 3.37Å; I556-A559 PolarHBondContact O-N 3.03Å; A559-R562 PolarHBondContact O-N 2.83Å; A559-N563 WeakPolarHBondContact O-CB 3.21Å; A559-N563 PolarHBondContact O-N 3.24Å
560L74.7Confident74.7Confident94 Ų94119.4 Ų119.449%0.49255%0.55SS..Hα-helixtrans-64.8-41.1176.5-171.765.5000111.7I556 N563 H564I556-L560 WeakPolarHBondContact O-CB 3.43Å; I556-L560 PolarHBondContact O-N 3.49Å; L560-N563 PolarHBondContact O-N 3.3Å; L560-H564 PolarHBondContact O-CD2 3.34Å; L560-H564 VanDerWaalsContact O-CD2 3.23Å; L560-H564 PolarHBondContact O-N 3.42Å
561K75.2Confident75Confident164 Ų164118.2 Ų118.271%0.71354%0.542SS*.Hα-helixtrans-60.1-45.9171.5-86.6-159.4169.4-159.20112.3R557 H564 Y565R557-K561 PolarHBondContact O-N 3.44Å; K561-H564 PolarHBondContact O-N 3.17Å; K561-Y565 PolarHBondContact O-N 2.84Å
562R71.9Confident75.5Confident147 Ų147114.7 Ų114.756%0.55553%0.534SS*.Hα-helixtrans-62.8-43.5175.9-82178.8-73.9108.2-0.5111.9S558 A559 H564 Y565 S566S558-R562 PolarHBondContact O-N 2.89Å; S558-R562 PolarHBondContact O-NE 3.36Å; A559-R562 PolarHBondContact O-N 2.83Å; R562-H564 VanDerWaalsContact C-N 3.33Å; R562-H564 PolarHBondContact O-N 2.82Å; R562-Y565 PolarHBondContact O-N 3.44Å; R562-Y565 VanDerWaalsContact O-N 3.12Å; R562-S566 PolarHBondContact O-N 3.03Å; R562-S566 PolarHBondContact O-OG 3.12Å
563N74.1Confident76.3Confident109 Ų109112.3 Ų112.358%0.58353%0.525SS*.Hα-helixtrans-61.3-38.2174.2-75.6-6.1000112.5A559 L560 R567A559-N563 WeakPolarHBondContact O-CB 3.21Å; A559-N563 PolarHBondContact O-N 3.24Å; L560-N563 PolarHBondContact O-N 3.3Å; N563-R567 WeakPolarHBondContact O-CB 3.29Å; N563-R567 PolarHBondContact O-N 3.4Å
564H76.6Confident76.7Confident129 Ų129115 Ų11560%0.59753%0.529SS*.Hα-helixtrans-65.1-38.5172.8-86.7-71.2000112.7L560 K561 R562 R568L560-H564 PolarHBondContact O-CD2 3.34Å; L560-H564 VanDerWaalsContact O-CD2 3.23Å; L560-H564 PolarHBondContact O-N 3.42Å; K561-H564 PolarHBondContact O-N 3.17Å; R562-H564 VanDerWaalsContact C-N 3.33Å; R562-H564 PolarHBondContact O-N 2.82Å; H564-R568 WeakPolarHBondContact O-CB 3.47Å; H564-R568 PolarHBondContact O-N 3.2Å
565Y74.8Confident77.4Confident163 Ų163110.5 Ų110.564%0.63951%0.513SS*.Hα-helixtrans-68.3-52.3177.8-167-102.5000111.5K561 R562 R567 R568 I569K561-Y565 PolarHBondContact O-N 2.84Å; R562-Y565 PolarHBondContact O-N 3.44Å; R562-Y565 VanDerWaalsContact O-N 3.12Å; Y565-R567 VanDerWaalsContact C-N 3.31Å; Y565-R567 PolarHBondContact O-N 2.97Å; Y565-R568 WeakPolarHBondContact O-CB 3.35Å; Y565-R568 PolarHBondContact O-N 3.35Å; Y565-I569 HydrophobicContact CD1-CD1 3.91Å; Y565-I569 HydrophobicContact CE1-CD1 3.46Å; Y565-I569 VanDerWaalsContact CE1-CD1 3.46Å; Y565-I569 HydrophobicContact CE1-CG1 4.4Å; Y565-I569 PolarHBondContact O-N 3.38Å
566S75.2Confident78.2Confident61 Ų61110.8 Ų110.843%0.42752%0.515SS..Hα-helixtrans-58.9-40174.9-58.90000112.2R562 R568 I569 I570R562-S566 PolarHBondContact O-N 3.03Å; R562-S566 PolarHBondContact O-OG 3.12Å; S566-R568 VanDerWaalsContact C-N 3.3Å; S566-R568 PolarHBondContact O-N 2.98Å; S566-I569 PolarHBondContact O-N 2.82Å; S566-I570 WeakPolarHBondContact O-CB 3.25Å; S566-I570 WeakPolarHBondContact O-CD1 3.48Å; S566-I570 VanDerWaalsContact O-CG1 3.24Å; S566-I570 WeakPolarHBondContact O-CG1 3.34Å; S566-I570 PolarHBondContact O-N 3.35Å
567R77.7Confident78.7Confident178 Ų178113.8 Ų113.867%0.67252%0.521SS*.Hα-helixtrans-68.9-26175.6-166.9174.4-164.4-92.4-2.1112.9N563 Y565 Q571N563-R567 WeakPolarHBondContact O-CB 3.29Å; N563-R567 PolarHBondContact O-N 3.4Å; Y565-R567 VanDerWaalsContact C-N 3.31Å; Y565-R567 PolarHBondContact O-N 2.97Å; R567-Q571 VanDerWaalsContact O-CB 3.27Å; R567-Q571 WeakPolarHBondContact O-CB 3.26Å; R567-Q571 PolarHBondContact O-N 3.12Å
568R81.2Confident79.3Confident171 Ų171110.8 Ų110.865%0.64551%0.514SS*.Hα-helixtrans-74.2-44.1173.4-179.3173.5174.4158.1-0.7111.4H564 Y565 S566 Q571 Q572H564-R568 WeakPolarHBondContact O-CB 3.47Å; H564-R568 PolarHBondContact O-N 3.2Å; Y565-R568 WeakPolarHBondContact O-CB 3.35Å; Y565-R568 PolarHBondContact O-N 3.35Å; S566-R568 VanDerWaalsContact C-N 3.3Å; S566-R568 PolarHBondContact O-N 2.98Å; R568-Q571 PolarHBondContact O-N 3.27Å; R568-Q572 PolarHBondContact O-N 3.4Å
569I80.1Confident80Confident67 Ų67113.4 Ų113.434%0.34452%0.524SS..Hα-helixtrans-59.6-52.9174-69.3174.7000110Y565 S566 Q571 Q572 E573Y565-I569 HydrophobicContact CD1-CD1 3.91Å; Y565-I569 HydrophobicContact CE1-CD1 3.46Å; Y565-I569 VanDerWaalsContact CE1-CD1 3.46Å; Y565-I569 HydrophobicContact CE1-CG1 4.4Å; Y565-I569 PolarHBondContact O-N 3.38Å; S566-I569 PolarHBondContact O-N 2.82Å; I569-Q571 PolarHBondContact O-N 3.28Å; I569-Q572 PolarHBondContact O-N 2.69Å; I569-E573 HydrophobicContact CG2-CG 4.28Å; I569-E573 WeakPolarHBondContact CG2-OE1 3.19Å; I569-E573 WeakPolarHBondContact O-CG 3.3Å; I569-E573 PolarHBondContact O-N 3.34Å
570I79.4Confident80.8Confident102 Ų102116.2 Ų116.252%0.52353%0.531SS..Hα-helixtrans-58-33.7177.3-67.4164.6000111.7S566 E573 W574S566-I570 WeakPolarHBondContact O-CB 3.25Å; S566-I570 WeakPolarHBondContact O-CD1 3.48Å; S566-I570 VanDerWaalsContact O-CG1 3.24Å; S566-I570 WeakPolarHBondContact O-CG1 3.34Å; S566-I570 PolarHBondContact O-N 3.35Å; I570-E573 WeakPolarHBondContact CA-OE2 3.44Å; I570-W574 WeakPolarHBondContact O-CB 3.4Å; I570-W574 PolarHBondContact O-N 3.28Å
571Q79.4Confident81.4Confident78 Ų78116 Ų11636%0.36453%0.534SS..Hα-helixtrans-71.6-37.2174.8-167.669.56700112.3R567 R568 I569 N575R567-Q571 VanDerWaalsContact O-CB 3.27Å; R567-Q571 WeakPolarHBondContact O-CB 3.26Å; R567-Q571 PolarHBondContact O-N 3.12Å; R568-Q571 PolarHBondContact O-N 3.27Å; I569-Q571 PolarHBondContact O-N 3.28Å; Q571-N575 PolarHBondContact NE2-OD1 3.29Å; Q571-N575 VanDerWaalsContact O-CB 3.31Å; Q571-N575 WeakPolarHBondContact O-CB 3.31Å; Q571-N575 PolarHBondContact O-N 3.15Å; Q571-N575 PolarHBondContact O-OD1 3.44Å
572Q82.6Confident82.2Confident117 Ų117114 Ų11455%0.54753%0.525SS..Hα-helixtrans-69.2-40.4175.5-71.1178.6-107.600111.5R568 I569 S576R568-Q572 PolarHBondContact O-N 3.4Å; I569-Q572 PolarHBondContact O-N 2.69Å; Q572-S576 WeakPolarHBondContact O-CB 3.47Å; Q572-S576 PolarHBondContact O-N 2.86Å
573E86.1Confident83.1Confident97 Ų97112 Ų11245%0.45352%0.522SS..Hα-helixtrans-60.8-49.4171-67.8167.2165.700111I569 I570 N575 S576 Y577I569-E573 HydrophobicContact CG2-CG 4.28Å; I569-E573 WeakPolarHBondContact CG2-OE1 3.19Å; I569-E573 WeakPolarHBondContact O-CG 3.3Å; I569-E573 PolarHBondContact O-N 3.34Å; I570-E573 WeakPolarHBondContact CA-OE2 3.44Å; E573-N575 PolarHBondContact O-N 3.41Å; E573-S576 WeakPolarHBondContact O-CB 3.42Å; E573-S576 PolarHBondContact O-N 2.85Å; E573-S576 VanDerWaalsContact O-N 3.16Å; E573-Y577 HydrophobicContact CB-CE2 4.3Å; E573-Y577 WeakPolarHBondContact O-CD2 3.27Å; E573-Y577 PolarHBondContact O-N 3.15Å
574W84.1Confident83.7Confident149 Ų149110 Ų11056%0.56451%0.511SS*.Hα-helixtrans-64.6-39.6-179-165.280.6000112.7I570 Y577 E578I570-W574 WeakPolarHBondContact O-CB 3.4Å; I570-W574 PolarHBondContact O-N 3.28Å; W574-Y577 PolarHBondContact O-N 3.48Å; W574-E578 VanDerWaalsContact CZ3-OE2 3.27Å; W574-E578 WeakPolarHBondContact CZ3-OE2 3.47Å; W574-E578 WeakPolarHBondContact O-CB 3.41Å; W574-E578 PolarHBondContact O-N 3.2Å
575N86Confident84.3Confident70 Ų70107.9 Ų107.937%0.37451%0.507SS..Hα-helixtrans-62.9-42.9171.6-7636.2000111.6Q571 E573 Y577 E578 D579Q571-N575 PolarHBondContact NE2-OD1 3.29Å; Q571-N575 VanDerWaalsContact O-CB 3.31Å; Q571-N575 WeakPolarHBondContact O-CB 3.31Å; Q571-N575 PolarHBondContact O-N 3.15Å; Q571-N575 PolarHBondContact O-OD1 3.44Å; E573-N575 PolarHBondContact O-N 3.41Å; N575-Y577 VanDerWaalsContact C-N 3.33Å; N575-Y577 PolarHBondContact O-N 3.34Å; N575-E578 PolarHBondContact O-N 2.96Å; N575-E578 VanDerWaalsContact O-N 3.11Å; N575-D579 PolarHBondContact O-N 2.76Å
576S86.6Confident85.1Confident76 Ų76104.2 Ų104.253%0.53150%0.499SS..Hα-helixtrans-61-40.9176.4-171.70000112Q572 E573 H580Q572-S576 WeakPolarHBondContact O-CB 3.47Å; Q572-S576 PolarHBondContact O-N 2.86Å; E573-S576 WeakPolarHBondContact O-CB 3.42Å; E573-S576 PolarHBondContact O-N 2.85Å; E573-S576 VanDerWaalsContact O-N 3.16Å; S576-H580 WeakPolarHBondContact O-CB 3.32Å; S576-H580 PolarHBondContact O-N 2.84Å
577Y84.8Confident85.9Confident162 Ų162106.4 Ų106.464%0.63550%0.503SS*.Hα-helixtrans-68.4-34.2172.3-67.5-56.9000113E573 W574 N575 V581E573-Y577 HydrophobicContact CB-CE2 4.3Å; E573-Y577 WeakPolarHBondContact O-CD2 3.27Å; E573-Y577 PolarHBondContact O-N 3.15Å; W574-Y577 PolarHBondContact O-N 3.48Å; N575-Y577 VanDerWaalsContact C-N 3.33Å; N575-Y577 PolarHBondContact O-N 3.34Å; Y577-V581 VanDerWaalsContact O-CB 3.28Å; Y577-V581 WeakPolarHBondContact O-CB 3.45Å; Y577-V581 WeakPolarHBondContact O-CG2 3.28Å; Y577-V581 PolarHBondContact O-N 2.98Å
578E88.1Confident86.4Confident106 Ų106102.2 Ų102.250%0.49549%0.493SS..Hα-helixtrans-67.7-44.6175.7-173.1170.1-144.300111.5W574 N575 V581 K582W574-E578 VanDerWaalsContact CZ3-OE2 3.27Å; W574-E578 WeakPolarHBondContact CZ3-OE2 3.47Å; W574-E578 WeakPolarHBondContact O-CB 3.41Å; W574-E578 PolarHBondContact O-N 3.2Å; N575-E578 PolarHBondContact O-N 2.96Å; N575-E578 VanDerWaalsContact O-N 3.11Å; E578-V581 PolarHBondContact O-N 2.9Å; E578-K582 WeakPolarHBondContact O-CB 3.39Å; E578-K582 PolarHBondContact O-N 3.25Å
579D89.5Confident86.8Confident110 Ų11097.9 Ų97.959%0.58848%0.48SS*.Hα-helixtrans-64-43.6174.7-77-41.5000111.6N575 K582 E583N575-D579 PolarHBondContact O-N 2.76Å; D579-K582 WeakPolarHBondContact O-CB 3.46Å; D579-K582 PolarHBondContact O-N 2.94Å; D579-E583 WeakPolarHBondContact O-CB 3.48Å; D579-E583 PolarHBondContact O-N 3.32Å
580H88.8Confident87.3Confident90 Ų90101.1 Ų101.142%0.41749%0.493SS..Hα-helixtrans-69.9-36.6177.7-175.554000113.1S576 K582 E583 L584S576-H580 WeakPolarHBondContact O-CB 3.32Å; S576-H580 PolarHBondContact O-N 2.84Å; H580-K582 VanDerWaalsContact C-N 3.27Å; H580-K582 PolarHBondContact O-N 3.28Å; H580-E583 IonicContact CE1-OE2 3.99Å; H580-E583 IonicContact ND1-OE2 3.13Å; H580-E583 PolarHBondContact ND1-OE2 3.36Å; H580-E583 VanDerWaalsContact ND1-OE2 3.12Å; H580-E583 PolarHBondContact O-N 3.02Å; H580-L584 WeakPolarHBondContact O-CB 3.45Å; H580-L584 WeakPolarHBondContact O-CG 3.45Å; H580-L584 PolarHBondContact O-N 3.45Å
581V87.8Confident87.6Confident91 Ų91101.1 Ų101.155%0.55250%0.498SS*.Hα-helixtrans-63.7-35.1171.3164.20000111.1Y577 E578 T585Y577-V581 VanDerWaalsContact O-CB 3.28Å; Y577-V581 WeakPolarHBondContact O-CB 3.45Å; Y577-V581 WeakPolarHBondContact O-CG2 3.28Å; Y577-V581 PolarHBondContact O-N 2.98Å; E578-V581 PolarHBondContact O-N 2.9Å; V581-T585 WeakPolarHBondContact O-CB 3.41Å; V581-T585 PolarHBondContact O-N 2.87Å; V581-T585 VanDerWaalsContact O-N 3.07Å; V581-T585 PolarHBondContact O-OG1 3.34Å
582K91.3Very high88Confident120 Ų120104.5 Ų104.552%0.52251%0.507SS..Hα-helixtrans-68.6-45.5173179.6-171.5166.9-64.50111.7E578 D579 H580 T585 D586E578-K582 WeakPolarHBondContact O-CB 3.39Å; E578-K582 PolarHBondContact O-N 3.25Å; D579-K582 WeakPolarHBondContact O-CB 3.46Å; D579-K582 PolarHBondContact O-N 2.94Å; H580-K582 VanDerWaalsContact C-N 3.27Å; H580-K582 PolarHBondContact O-N 3.28Å; K582-T585 CarbonylContact O-C 3.59Å; K582-T585 WeakPolarHBondContact O-CA 3.48Å; K582-T585 WeakPolarHBondContact O-CB 3.26Å; K582-T585 PolarHBondContact O-N 2.83Å; K582-D586 IonicContact NZ-OD2 3.3Å; K582-D586 PolarHBondContact NZ-OD2 3.45Å; K582-D586 PolarHBondContact O-N 3.19Å
583E91.1Very high88.4Confident106 Ų106102.7 Ų102.750%0.49550%0.498SS..Hα-helixtrans-55.3-52175.6-177.8174.9-12300111.4D579 H580 T585 D586 E587D579-E583 WeakPolarHBondContact O-CB 3.48Å; D579-E583 PolarHBondContact O-N 3.32Å; H580-E583 IonicContact CE1-OE2 3.99Å; H580-E583 IonicContact ND1-OE2 3.13Å; H580-E583 PolarHBondContact ND1-OE2 3.36Å; H580-E583 VanDerWaalsContact ND1-OE2 3.12Å; H580-E583 PolarHBondContact O-N 3.02Å; E583-T585 PolarHBondContact O-N 3.18Å; E583-D586 PolarHBondContact O-N 2.84Å; E583-D586 VanDerWaalsContact O-N 3.12Å; E583-E587 PolarHBondContact O-N 3.49Å
584L86.8Confident88.4Confident68 Ų68101.5 Ų101.536%0.35649%0.493SS..Hα-helixtrans-59.5-30.6173.3-70.2171.8000113.2H580 I588H580-L584 WeakPolarHBondContact O-CB 3.45Å; H580-L584 WeakPolarHBondContact O-CG 3.45Å; H580-L584 PolarHBondContact O-N 3.45Å; L584-I588 VanDerWaalsContact O-CB 3.29Å; L584-I588 WeakPolarHBondContact O-CB 3.34Å; L584-I588 WeakPolarHBondContact O-CD1 3.49Å; L584-I588 WeakPolarHBondContact O-CG1 3.39Å; L584-I588 PolarHBondContact O-N 3.36Å
585T89.2Confident88.4Confident83 Ų8398.8 Ų98.851%0.50949%0.489SS..Hα-helixtrans-72.4-41.5175.8-60.20000111.6V581 K582 E583 I588 E589V581-T585 WeakPolarHBondContact O-CB 3.41Å; V581-T585 PolarHBondContact O-N 2.87Å; V581-T585 VanDerWaalsContact O-N 3.07Å; V581-T585 PolarHBondContact O-OG1 3.34Å; K582-T585 CarbonylContact O-C 3.59Å; K582-T585 WeakPolarHBondContact O-CA 3.48Å; K582-T585 WeakPolarHBondContact O-CB 3.26Å; K582-T585 PolarHBondContact O-N 2.83Å; E583-T585 PolarHBondContact O-N 3.18Å; T585-I588 PolarHBondContact O-N 3.29Å; T585-E589 WeakPolarHBondContact O-CB 3.38Å; T585-E589 PolarHBondContact O-N 2.7Å; T585-E589 VanDerWaalsContact O-N 3.07Å
586D92.7Very high88.5Confident87 Ų8799.3 Ų99.347%0.46550%0.495SS..Hα-helixtrans-66.9-41.6176.4-70.6-28.7000110.3K582 E583 E589 E590K582-D586 IonicContact NZ-OD2 3.3Å; K582-D586 PolarHBondContact NZ-OD2 3.45Å; K582-D586 PolarHBondContact O-N 3.19Å; E583-D586 PolarHBondContact O-N 2.84Å; E583-D586 VanDerWaalsContact O-N 3.12Å; D586-E589 PolarHBondContact O-N 3.4Å; D586-E590 PolarHBondContact O-N 3.4Å
587E90.7Very high88.5Confident107 Ų107100.1 Ų100.150%0.549%0.486SS..Hα-helixtrans-60.8-47.4172.1-74.1-173.9170.600112.7E583 E589 E590 V591E583-E587 PolarHBondContact O-N 3.49Å; E587-E589 PolarHBondContact O-N 3.01Å; E587-E590 PolarHBondContact O-N 2.81Å; E587-V591 WeakPolarHBondContact O-CB 2.78Å; E587-V591 WeakPolarHBondContact O-CG2 3.2Å; E587-V591 PolarHBondContact O-N 3.47Å
588I87.5Confident88.5Confident90 Ų9094 Ų9446%0.46247%0.47SS..Hα-helixtrans-60.5-35.2177.6-76.4167.5000110.9L584 T585 R592L584-I588 VanDerWaalsContact O-CB 3.29Å; L584-I588 WeakPolarHBondContact O-CB 3.34Å; L584-I588 WeakPolarHBondContact O-CD1 3.49Å; L584-I588 WeakPolarHBondContact O-CG1 3.39Å; L584-I588 PolarHBondContact O-N 3.36Å; T585-I588 PolarHBondContact O-N 3.29Å; I588-R592 WeakPolarHBondContact O-CB 3.26Å; I588-R592 WeakPolarHBondContact O-CD 3.36Å; I588-R592 WeakPolarHBondContact O-CG 3.39Å; I588-R592 PolarHBondContact O-N 3.29Å
589E91.1Very high88.3Confident80 Ų8094.2 Ų94.237%0.37447%0.469SS..Hα-helixtrans-74.4-37.9176.3-176.252-149.700112.5T585 D586 E587 R592 Q593T585-E589 WeakPolarHBondContact O-CB 3.38Å; T585-E589 PolarHBondContact O-N 2.7Å; T585-E589 VanDerWaalsContact O-N 3.07Å; D586-E589 PolarHBondContact O-N 3.4Å; E587-E589 PolarHBondContact O-N 3.01Å; E589-R592 PolarHBondContact O-N 3.15Å; E589-R592 IonicContact OE2-NH1 2.71Å; E589-Q593 WeakPolarHBondContact O-CG 3.32Å; E589-Q593 PolarHBondContact O-N 2.88Å; E589-Q593 PolarHBondContact OE1-NE2 3.2Å
590E89.8Confident88.2Confident134 Ų13494.9 Ų94.963%0.62647%0.468SS*.Hα-helixtrans-62.6-44.8170.8-179.8160.7-157.100111.8D586 E587 R592 Q593 E594D586-E590 PolarHBondContact O-N 3.4Å; E587-E590 PolarHBondContact O-N 2.81Å; E590-R592 VanDerWaalsContact C-N 3.32Å; E590-R592 PolarHBondContact O-N 3.17Å; E590-Q593 PolarHBondContact O-N 2.95Å; E590-Q593 VanDerWaalsContact O-N 3.16Å; E590-E594 PolarHBondContact O-N 2.65Å
591V85.1Confident88Confident102 Ų10297 Ų9762%0.61847%0.473SS*.Hα-helixtrans-62.2-37.9175.91710000111.5E587 L595E587-V591 WeakPolarHBondContact O-CB 2.78Å; E587-V591 WeakPolarHBondContact O-CG2 3.2Å; E587-V591 PolarHBondContact O-N 3.47Å; V591-L595 VanDerWaalsContact O-CB 3.23Å; V591-L595 WeakPolarHBondContact O-CB 3.37Å; V591-L595 PolarHBondContact O-N 3.49Å
592R88.5Confident87.8Confident150 Ų15098.2 Ų98.257%0.56647%0.472SS*.Hα-helixtrans-63.5-44172.7-78.2164.7178.5-171.73112I588 E589 E590 L595 T596I588-R592 WeakPolarHBondContact O-CB 3.26Å; I588-R592 WeakPolarHBondContact O-CD 3.36Å; I588-R592 WeakPolarHBondContact O-CG 3.39Å; I588-R592 PolarHBondContact O-N 3.29Å; E589-R592 PolarHBondContact O-N 3.15Å; E589-R592 IonicContact OE2-NH1 2.71Å; E590-R592 VanDerWaalsContact C-N 3.32Å; E590-R592 PolarHBondContact O-N 3.17Å; R592-L595 WeakPolarHBondContact O-CB 3.22Å; R592-L595 PolarHBondContact O-N 3.02Å; R592-T596 PolarHBondContact O-N 2.61Å
593Q90.8Very high87.5Confident78 Ų7897.5 Ų97.536%0.36447%0.473SS..Hα-helixtrans-66.5-43.6178.2-70.6176.930.100111.4E589 E590 L595 T596 R597E589-Q593 WeakPolarHBondContact O-CG 3.32Å; E589-Q593 PolarHBondContact O-N 2.88Å; E589-Q593 PolarHBondContact OE1-NE2 3.2Å; E590-Q593 PolarHBondContact O-N 2.95Å; E590-Q593 VanDerWaalsContact O-N 3.16Å; Q593-L595 VanDerWaalsContact C-N 3.3Å; Q593-L595 PolarHBondContact O-N 3.5Å; Q593-T596 WeakPolarHBondContact CA-OG1 3.44Å; Q593-T596 PolarHBondContact O-N 2.82Å; Q593-T596 VanDerWaalsContact O-N 3.08Å; Q593-T596 PolarHBondContact O-OG1 3.3Å; Q593-R597 WeakPolarHBondContact O-CG 3.4Å; Q593-R597 PolarHBondContact O-N 3.25Å; Q593-R597 VanDerWaalsContact OE1-NH2 3.16Å
594E85.8Confident87.2Confident73 Ų7397.6 Ų97.634%0.34148%0.476SS..Hα-helixtrans-68.3-30.2176.8-165.654.4-14700112.3E590 R597 A598 R601E590-E594 PolarHBondContact O-N 2.65Å; E594-R597 PolarHBondContact O-N 2.98Å; E594-R597 WeakPolarHBondContact OE2-CD 3.47Å; E594-R597 IonicContact OE2-CZ 3.33Å; E594-R597 IonicContact OE2-NE 2.72Å; E594-R597 IonicContact OE2-NH1 3.15Å; E594-R597 PolarHBondContact OE2-NH1 2.86Å; E594-A598 VanDerWaalsContact O-CB 3.28Å; E594-A598 WeakPolarHBondContact O-CB 3.22Å; E594-A598 PolarHBondContact O-N 3.43Å; E594-R601 IonicContact OE1-CZ 2.61Å; E594-R601 IonicContact OE1-NH1 3.69Å; E594-R601 PolarHBondContact OE1-NH1 2.93Å; E594-R601 IonicContact OE1-NH2 3.96Å; E594-R601 PolarHBondContact OE1-NH2 3.31Å
595L84.4Confident87Confident91 Ų9198.5 Ų98.548%0.47648%0.481SS..Hα-helixtrans-64.3-38.1167.8179.263000112.3V591 R592 Q593 A598 K599V591-L595 VanDerWaalsContact O-CB 3.23Å; V591-L595 WeakPolarHBondContact O-CB 3.37Å; V591-L595 PolarHBondContact O-N 3.49Å; R592-L595 WeakPolarHBondContact O-CB 3.22Å; R592-L595 PolarHBondContact O-N 3.02Å; Q593-L595 VanDerWaalsContact C-N 3.3Å; Q593-L595 PolarHBondContact O-N 3.5Å; L595-A598 PolarHBondContact O-N 3.33Å; L595-K599 WeakPolarHBondContact O-CG 3.38Å; L595-K599 PolarHBondContact O-N 3.17Å
596T88Confident86.8Confident81 Ų81100 Ų10050%0.49748%0.482SS..Hα-helixtrans-66.5-43.3172.457.30000111.9R592 Q593 A598 K599 E600R592-T596 PolarHBondContact O-N 2.61Å; Q593-T596 WeakPolarHBondContact CA-OG1 3.44Å; Q593-T596 PolarHBondContact O-N 2.82Å; Q593-T596 VanDerWaalsContact O-N 3.08Å; Q593-T596 PolarHBondContact O-OG1 3.3Å; T596-A598 VanDerWaalsContact C-N 3.3Å; T596-A598 PolarHBondContact O-N 3.44Å; T596-K599 PolarHBondContact O-N 3.14Å; T596-E600 WeakPolarHBondContact O-CG 3.3Å; T596-E600 PolarHBondContact O-N 3.29Å
597R87.4Confident86.5Confident93 Ų93100.7 Ų100.735%0.35148%0.483SS..Hα-helixtrans-64-34.5174.7-62.4179-151.6119.22.3111.9Q593 E594 E600 R601Q593-R597 WeakPolarHBondContact O-CG 3.4Å; Q593-R597 PolarHBondContact O-N 3.25Å; Q593-R597 VanDerWaalsContact OE1-NH2 3.16Å; E594-R597 PolarHBondContact O-N 2.98Å; E594-R597 WeakPolarHBondContact OE2-CD 3.47Å; E594-R597 IonicContact OE2-CZ 3.33Å; E594-R597 IonicContact OE2-NE 2.72Å; E594-R597 IonicContact OE2-NH1 3.15Å; E594-R597 PolarHBondContact OE2-NH1 2.86Å; R597-E600 PolarHBondContact O-N 2.83Å; R597-R601 VanDerWaalsContact O-CG 3.27Å; R597-R601 WeakPolarHBondContact O-CG 3.45Å; R597-R601 PolarHBondContact O-N 2.9Å; R597-R601 PolarHBondContact O-NE 2.86Å
598A84.3Confident86.3Confident35 Ų3599.7 Ų99.729%0.28948%0.478SS..Hα-helixtrans-63.5-47173.200000111.5E594 L595 T596 E600 R601 E602E594-A598 VanDerWaalsContact O-CB 3.28Å; E594-A598 WeakPolarHBondContact O-CB 3.22Å; E594-A598 PolarHBondContact O-N 3.43Å; L595-A598 PolarHBondContact O-N 3.33Å; T596-A598 VanDerWaalsContact C-N 3.3Å; T596-A598 PolarHBondContact O-N 3.44Å; A598-E600 PolarHBondContact O-N 3.37Å; A598-R601 PolarHBondContact O-N 3.44Å; A598-E602 WeakPolarHBondContact O-CB 3.43Å; A598-E602 PolarHBondContact O-N 2.98Å
599K85.1Confident86.1Confident110 Ų11099.7 Ų99.748%0.47848%0.478SS..Hα-helixtrans-64.1-36.9175.8-72.5175178.3-179.20112.9L595 T596 E602 I603L595-K599 WeakPolarHBondContact O-CG 3.38Å; L595-K599 PolarHBondContact O-N 3.17Å; T596-K599 PolarHBondContact O-N 3.14Å; K599-E602 PolarHBondContact O-N 2.89Å; K599-I603 WeakPolarHBondContact O-CB 3.49Å; K599-I603 WeakPolarHBondContact O-CD1 3.36Å; K599-I603 VanDerWaalsContact O-CG1 3.24Å; K599-I603 WeakPolarHBondContact O-CG1 3.32Å; K599-I603 PolarHBondContact O-N 3.39Å
600E86Confident85.9Confident123 Ų123100.6 Ų100.658%0.57549%0.489SS*.Hα-helixtrans-63.9-43.7172.5-72.3178.916400111.9T596 R597 A598 E602 I604T596-E600 WeakPolarHBondContact O-CG 3.3Å; T596-E600 PolarHBondContact O-N 3.29Å; R597-E600 PolarHBondContact O-N 2.83Å; A598-E600 PolarHBondContact O-N 3.37Å; E600-E602 VanDerWaalsContact C-N 3.31Å; E600-E602 PolarHBondContact O-N 3.35Å; E600-I604 WeakPolarHBondContact O-CB 3.3Å; E600-I604 WeakPolarHBondContact O-CD1 3.36Å; E600-I604 VanDerWaalsContact O-CG1 3.25Å; E600-I604 WeakPolarHBondContact O-CG1 3.27Å; E600-I604 PolarHBondContact O-N 3.45Å
601R84.6Confident85.7Confident135 Ų135100 Ų10051%0.50948%0.481SS..Hα-helixtrans-62.8-37.8174-70.7179.6-58.9-122.85.1112.1E594 R597 A598 N605E594-R601 IonicContact OE1-CZ 2.61Å; E594-R601 IonicContact OE1-NH1 3.69Å; E594-R601 PolarHBondContact OE1-NH1 2.93Å; E594-R601 IonicContact OE1-NH2 3.96Å; E594-R601 PolarHBondContact OE1-NH2 3.31Å; R597-R601 VanDerWaalsContact O-CG 3.27Å; R597-R601 WeakPolarHBondContact O-CG 3.45Å; R597-R601 PolarHBondContact O-N 2.9Å; R597-R601 PolarHBondContact O-NE 2.86Å; A598-R601 PolarHBondContact O-N 3.44Å; R601-N605 WeakPolarHBondContact O-CB 3.45Å; R601-N605 PolarHBondContact O-N 3.01Å; R601-N605 VanDerWaalsContact O-N 3.09Å
602E83.1Confident85.3Confident117 Ų11799.3 Ų99.355%0.54747%0.474SS..Hα-helixtrans-65.1-52.3176.3-173165.3-132.100111.3A598 K599 E600 I604 N605 E606A598-E602 WeakPolarHBondContact O-CB 3.43Å; A598-E602 PolarHBondContact O-N 2.98Å; K599-E602 PolarHBondContact O-N 2.89Å; E600-E602 VanDerWaalsContact C-N 3.31Å; E600-E602 PolarHBondContact O-N 3.35Å; E602-I604 VanDerWaalsContact C-N 3.32Å; E602-I604 PolarHBondContact O-N 3.27Å; E602-N605 CarbonylContact O-C 3.57Å; E602-N605 WeakPolarHBondContact O-CA 3.35Å; E602-N605 WeakPolarHBondContact O-CB 3.26Å; E602-N605 PolarHBondContact O-N 2.98Å; E602-E606 WeakPolarHBondContact O-CG 3.26Å; E602-E606 PolarHBondContact O-N 3.37Å
603I85.9Confident85.1Confident105 Ų10595 Ų9554%0.53847%0.467SS..Hα-helixtrans-57.4-42.3177.1-69.2163000111.7K599 N605 E606 E607K599-I603 WeakPolarHBondContact O-CB 3.49Å; K599-I603 WeakPolarHBondContact O-CD1 3.36Å; K599-I603 VanDerWaalsContact O-CG1 3.24Å; K599-I603 WeakPolarHBondContact O-CG1 3.32Å; K599-I603 PolarHBondContact O-N 3.39Å; I603-N605 VanDerWaalsContact C-N 3.29Å; I603-N605 PolarHBondContact O-N 3.34Å; I603-E606 PolarHBondContact O-N 2.89Å; I603-E607 WeakPolarHBondContact O-CB 3.34Å; I603-E607 PolarHBondContact O-N 2.99Å
604I84.2Confident84.9Confident108 Ų10892.7 Ų92.755%0.55446%0.463SS*.Hα-helixtrans-64.6-35.5176.3-69.2166.4000111.2E600 E602 H608E600-I604 WeakPolarHBondContact O-CB 3.3Å; E600-I604 WeakPolarHBondContact O-CD1 3.36Å; E600-I604 VanDerWaalsContact O-CG1 3.25Å; E600-I604 WeakPolarHBondContact O-CG1 3.27Å; E600-I604 PolarHBondContact O-N 3.45Å; E602-I604 VanDerWaalsContact C-N 3.32Å; E602-I604 PolarHBondContact O-N 3.27Å; I604-H608 WeakPolarHBondContact O-CB 3.42Å; I604-H608 PolarHBondContact O-N 3.2Å
605N82.5Confident85Confident87 Ų8792.6 Ų92.647%0.46547%0.468SS..Hα-helixtrans-73.2-41176.6-17150.6000112R601 E602 I603 H608 I609R601-N605 WeakPolarHBondContact O-CB 3.45Å; R601-N605 PolarHBondContact O-N 3.01Å; R601-N605 VanDerWaalsContact O-N 3.09Å; E602-N605 CarbonylContact O-C 3.57Å; E602-N605 WeakPolarHBondContact O-CA 3.35Å; E602-N605 WeakPolarHBondContact O-CB 3.26Å; E602-N605 PolarHBondContact O-N 2.98Å; I603-N605 VanDerWaalsContact C-N 3.29Å; I603-N605 PolarHBondContact O-N 3.34Å; N605-H608 PolarHBondContact O-N 3.31Å; N605-I609 WeakPolarHBondContact O-CB 3.31Å; N605-I609 VanDerWaalsContact O-CG1 3.25Å; N605-I609 WeakPolarHBondContact O-CG1 3.35Å; N605-I609 PolarHBondContact O-N 3.28Å
606E85.7Confident84.8Confident114 Ų11492 Ų9253%0.53347%0.468SS..Hα-helixtrans-58.9-45.4171.4-70.4-174.9146.100111.6E602 I603 H608 I609 T610E602-E606 WeakPolarHBondContact O-CG 3.26Å; E602-E606 PolarHBondContact O-N 3.37Å; I603-E606 PolarHBondContact O-N 2.89Å; E606-H608 VanDerWaalsContact C-N 3.31Å; E606-H608 PolarHBondContact O-N 2.72Å; E606-I609 PolarHBondContact O-N 2.82Å; E606-T610 VanDerWaalsContact O-CB 3.32Å; E606-T610 WeakPolarHBondContact O-CB 3.44Å; E606-T610 PolarHBondContact O-N 3.2Å; E606-T610 PolarHBondContact O-OG1 2.67Å
607E87.2Confident84.7Confident101 Ų10192.3 Ų92.347%0.47247%0.466SS..Hα-helixtrans-64.5-37.6177.3-155.1-136.2138.400111.2I603 R611I603-E607 WeakPolarHBondContact O-CB 3.34Å; I603-E607 PolarHBondContact O-N 2.99Å; E607-R611 WeakPolarHBondContact O-CB 3.29Å; E607-R611 WeakPolarHBondContact O-CG 3.49Å; E607-R611 PolarHBondContact O-N 3.03Å; E607-R611 IonicContact OE1-CZ 2.71Å; E607-R611 VanDerWaalsContact OE1-CZ 3.25Å; E607-R611 IonicContact OE1-NE 2.71Å; E607-R611 PolarHBondContact OE1-NE 3.14Å; E607-R611 IonicContact OE1-NH2 3.57Å; E607-R611 PolarHBondContact OE1-NH2 2.96Å; E607-R611 IonicContact OE2-CZ 3.37Å; E607-R611 IonicContact OE2-NE 2.75Å; E607-R611 IonicContact OE2-NH2 3.16Å; E607-R611 PolarHBondContact OE2-NH2 3.49Å
608H85.4Confident84.8Confident86 Ų8694.5 Ų94.540%0.39848%0.479SS..Hα-helixtrans-67.9-44.3174.8-178-118.2000112.6I604 N605 E606 T610 R611 L612I604-H608 WeakPolarHBondContact O-CB 3.42Å; I604-H608 PolarHBondContact O-N 3.2Å; N605-H608 PolarHBondContact O-N 3.31Å; E606-H608 VanDerWaalsContact C-N 3.31Å; E606-H608 PolarHBondContact O-N 2.72Å; H608-T610 VanDerWaalsContact C-N 3.33Å; H608-T610 PolarHBondContact O-N 3.19Å; H608-R611 PolarHBondContact O-N 2.76Å; H608-L612 WeakPolarHBondContact O-CB 3.07Å; H608-L612 WeakPolarHBondContact O-CG 3.47Å; H608-L612 PolarHBondContact O-N 2.96Å
609I83.1Confident84.8Confident91 Ų9197.8 Ų97.847%0.46749%0.491SS..Hα-helixtrans-61-43.3174.1-71.1164.4000110.3N605 E606 L612 S613N605-I609 WeakPolarHBondContact O-CB 3.31Å; N605-I609 VanDerWaalsContact O-CG1 3.25Å; N605-I609 WeakPolarHBondContact O-CG1 3.35Å; N605-I609 PolarHBondContact O-N 3.28Å; E606-I609 PolarHBondContact O-N 2.82Å; I609-L612 PolarHBondContact O-N 3.15Å; I609-S613 PolarHBondContact O-N 2.72Å
610T86.3Confident84.7Confident99 Ų9997.2 Ų97.261%0.60749%0.492SS*.Hα-helixtrans-62.5-44.1176.6-56.50000111.4E606 H608 L612 S613 G614E606-T610 VanDerWaalsContact O-CB 3.32Å; E606-T610 WeakPolarHBondContact O-CB 3.44Å; E606-T610 PolarHBondContact O-N 3.2Å; E606-T610 PolarHBondContact O-OG1 2.67Å; H608-T610 VanDerWaalsContact C-N 3.33Å; H608-T610 PolarHBondContact O-N 3.19Å; T610-L612 VanDerWaalsContact C-N 3.33Å; T610-L612 PolarHBondContact O-N 3.37Å; T610-S613 PolarHBondContact O-N 3.48Å; T610-G614 PolarHBondContact O-N 3.45Å
611R86.8Confident84.7Confident120 Ų12096.1 Ų96.145%0.45349%0.487SS..Hα-helixtrans-63.5-35.7173.9-78.9-170.3-102.5110.8-7.7112.8E607 H608 T615E607-R611 WeakPolarHBondContact O-CB 3.29Å; E607-R611 WeakPolarHBondContact O-CG 3.49Å; E607-R611 PolarHBondContact O-N 3.03Å; E607-R611 IonicContact OE1-CZ 2.71Å; E607-R611 VanDerWaalsContact OE1-CZ 3.25Å; E607-R611 IonicContact OE1-NE 2.71Å; E607-R611 PolarHBondContact OE1-NE 3.14Å; E607-R611 IonicContact OE1-NH2 3.57Å; E607-R611 PolarHBondContact OE1-NH2 2.96Å; E607-R611 IonicContact OE2-CZ 3.37Å; E607-R611 IonicContact OE2-NE 2.75Å; E607-R611 IonicContact OE2-NH2 3.16Å; E607-R611 PolarHBondContact OE2-NH2 3.49Å; H608-R611 PolarHBondContact O-N 2.76Å; R611-T615 WeakPolarHBondContact O-CB 3.48Å; R611-T615 PolarHBondContact O-N 3.23Å; R611-T615 PolarHBondContact O-OG1 2.67Å
612L76.6Confident84.7Confident89 Ų8993.9 Ų93.947%0.46648%0.482SS..Hα-helixtrans-70.9-46.5175.3-75.8174.7000112.1H608 I609 T610 G614 T615 V616H608-L612 WeakPolarHBondContact O-CB 3.07Å; H608-L612 WeakPolarHBondContact O-CG 3.47Å; H608-L612 PolarHBondContact O-N 2.96Å; I609-L612 PolarHBondContact O-N 3.15Å; T610-L612 VanDerWaalsContact C-N 3.33Å; T610-L612 PolarHBondContact O-N 3.37Å; L612-G614 PolarHBondContact O-N 2.97Å; L612-T615 WeakPolarHBondContact O-CA 3.38Å; L612-T615 WeakPolarHBondContact O-CB 3.45Å; L612-T615 PolarHBondContact O-N 3.13Å; L612-V616 PolarHBondContact O-N 2.72Å
613S83.1Confident84.6Confident60 Ų6091.6 Ų91.642%0.4248%0.479SS..Hα-helixtrans-55.5-55.4175.8-167.60000110.3I609 T610 T615 V616 D617I609-S613 PolarHBondContact O-N 2.72Å; T610-S613 PolarHBondContact O-N 3.48Å; S613-T615 PolarHBondContact O-N 3.38Å; S613-V616 CarbonylContact O-C 3.59Å; S613-V616 WeakPolarHBondContact O-CA 3.43Å; S613-V616 PolarHBondContact O-N 3.3Å; S613-D617 PolarHBondContact O-N 3.26Å; S613-D617 PolarHBondContact OG-OD2 3.35Å
614G87.3Confident84.4Confident28 Ų2890.4 Ų90.429%0.28947%0.474SS..Hα-helixtrans-65.5-1.5177.400000115.5T610 L612 K618T610-G614 PolarHBondContact O-N 3.45Å; L612-G614 PolarHBondContact O-N 2.97Å; G614-K618 VanDerWaalsContact O-CD 3.27Å; G614-K618 WeakPolarHBondContact O-CD 3.49Å; G614-K618 WeakPolarHBondContact O-CE 3.4Å; G614-K618 WeakPolarHBondContact O-CG 3.36Å
615T88.6Confident84.5Confident72 Ų7289.5 Ų89.544%0.44247%0.467SS..Hα-helixtrans-97.5-41.9167-58.50000111.1R611 L612 S613 K618 L619R611-T615 WeakPolarHBondContact O-CB 3.48Å; R611-T615 PolarHBondContact O-N 3.23Å; R611-T615 PolarHBondContact O-OG1 2.67Å; L612-T615 WeakPolarHBondContact O-CA 3.38Å; L612-T615 WeakPolarHBondContact O-CB 3.45Å; L612-T615 PolarHBondContact O-N 3.13Å; S613-T615 PolarHBondContact O-N 3.38Å; T615-K618 PolarHBondContact O-N 2.93Å; T615-L619 HydrophobicContact CG2-CD1 4.43Å; T615-L619 WeakPolarHBondContact O-CG 3.36Å; T615-L619 PolarHBondContact O-N 2.96Å
616V79Confident84.6Confident79 Ų7993.2 Ų93.248%0.47948%0.475SS..Hα-helixtrans-60.8-46.3171.5173.60000110.6L612 S613 K618 L619 L620L612-V616 PolarHBondContact O-N 2.72Å; S613-V616 CarbonylContact O-C 3.59Å; S613-V616 WeakPolarHBondContact O-CA 3.43Å; S613-V616 PolarHBondContact O-N 3.3Å; V616-K618 VanDerWaalsContact C-N 3.25Å; V616-K618 PolarHBondContact O-N 3.06Å; V616-L619 PolarHBondContact O-N 2.79Å; V616-L620 HydrophobicContact CG1-CD1 3.87Å; V616-L620 HydrophobicContact CG1-CG 4.21Å; V616-L620 WeakPolarHBondContact O-CG 3.45Å; V616-L620 PolarHBondContact O-N 2.9Å
617D86.6Confident84.6Confident86 Ų8692.5 Ų92.546%0.4647%0.474SS..Hα-helixtrans-57.1-38.8177.7-61.6-40.2000111.7S613 Q621S613-D617 PolarHBondContact O-N 3.26Å; S613-D617 PolarHBondContact OG-OD2 3.35Å; D617-Q621 VanDerWaalsContact O-CB 3.28Å; D617-Q621 WeakPolarHBondContact O-CB 3.37Å; D617-Q621 PolarHBondContact O-N 3.46Å
618K89.6Confident84.6Confident140 Ų14093.9 Ų93.961%0.60948%0.481SS*.Hα-helixtrans-69.7-40.4174.5-73.4173.7-173.4164.10112.8G614 T615 V616 L620 Q621 E622G614-K618 VanDerWaalsContact O-CD 3.27Å; G614-K618 WeakPolarHBondContact O-CD 3.49Å; G614-K618 WeakPolarHBondContact O-CE 3.4Å; G614-K618 WeakPolarHBondContact O-CG 3.36Å; T615-K618 PolarHBondContact O-N 2.93Å; V616-K618 VanDerWaalsContact C-N 3.25Å; V616-K618 PolarHBondContact O-N 3.06Å; K618-L620 VanDerWaalsContact C-N 3.34Å; K618-Q621 PolarHBondContact O-N 3.17Å; K618-E622 WeakPolarHBondContact O-CB 3.43Å; K618-E622 WeakPolarHBondContact O-CG 3.38Å; K618-E622 PolarHBondContact O-N 3.49Å
619L84.6Confident84.7Confident104 Ų10494.7 Ų94.755%0.54549%0.488SS..Hα-helixtrans-68.3-35.6177.1-70170.6000111.8T615 V616 S623T615-L619 HydrophobicContact CG2-CD1 4.43Å; T615-L619 WeakPolarHBondContact O-CG 3.36Å; T615-L619 PolarHBondContact O-N 2.96Å; V616-L619 PolarHBondContact O-N 2.79Å; L619-S623 VanDerWaalsContact O-CB 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.27Å; L619-S623 PolarHBondContact O-N 3.37Å
620L81.9Confident84.6Confident97 Ų9795.4 Ų95.451%0.50849%0.489SS..Hα-helixtrans-67.9-42.6171.9-68.5174.7000111.3V616 K618 S623 N624V616-L620 HydrophobicContact CG1-CD1 3.87Å; V616-L620 HydrophobicContact CG1-CG 4.21Å; V616-L620 WeakPolarHBondContact O-CG 3.45Å; V616-L620 PolarHBondContact O-N 2.9Å; K618-L620 VanDerWaalsContact C-N 3.34Å; L620-S623 PolarHBondContact O-N 3.48Å; L620-N624 WeakPolarHBondContact O-CB 3.34Å; L620-N624 PolarHBondContact O-N 2.85Å; L620-N624 PolarHBondContact O-ND2 2.85Å
621Q87Confident84.5Confident101 Ų10195.2 Ų95.247%0.47248%0.484SS..Hα-helixtrans-61.1-48.9173.6-17862.521.800111.6D617 K618 S623 N624 E625D617-Q621 VanDerWaalsContact O-CB 3.28Å; D617-Q621 WeakPolarHBondContact O-CB 3.37Å; D617-Q621 PolarHBondContact O-N 3.46Å; K618-Q621 PolarHBondContact O-N 3.17Å; Q621-S623 VanDerWaalsContact C-N 3.29Å; Q621-S623 PolarHBondContact O-N 2.78Å; Q621-N624 PolarHBondContact O-N 3.41Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.03Å; Q621-E625 PolarHBondContact NE2-OE1 3.29Å; Q621-E625 WeakPolarHBondContact O-CB 3.49Å; Q621-E625 WeakPolarHBondContact O-CG 3.35Å; Q621-E625 PolarHBondContact O-N 3.22Å
622E84.8Confident84.5Confident87 Ų8795.9 Ų95.941%0.40749%0.492SS..Hα-helixtrans-59.5-38.5174.6-80.4-169.6-135.100112.3K618 R626K618-E622 WeakPolarHBondContact O-CB 3.43Å; K618-E622 WeakPolarHBondContact O-CG 3.38Å; K618-E622 PolarHBondContact O-N 3.49Å; E622-R626 WeakPolarHBondContact O-CB 3.32Å; E622-R626 WeakPolarHBondContact O-CD 3.29Å; E622-R626 WeakPolarHBondContact O-CG 3.14Å; E622-R626 PolarHBondContact O-N 2.99Å; E622-R626 IonicContact OE2-CZ 3.55Å; E622-R626 IonicContact OE2-NH2 3.93Å; E622-R626 PolarHBondContact OE2-NH2 3.43Å
623S79.8Confident84.8Confident69 Ų6997.6 Ų97.648%0.48350%0.498SS..Hα-helixtrans-65.8-45.6176.6-167.70000111.5L619 L620 Q621 R626 L627L619-S623 VanDerWaalsContact O-CB 3.29Å; L619-S623 WeakPolarHBondContact O-CB 3.27Å; L619-S623 PolarHBondContact O-N 3.37Å; L620-S623 PolarHBondContact O-N 3.48Å; Q621-S623 VanDerWaalsContact C-N 3.29Å; Q621-S623 PolarHBondContact O-N 2.78Å; S623-R626 PolarHBondContact O-N 3.34Å; S623-L627 WeakPolarHBondContact O-CB 3.43Å; S623-L627 PolarHBondContact O-N 2.92Å
624N81.7Confident84.8Confident80 Ų80102.6 Ų102.643%0.42851%0.508SS..Hα-helixtrans-64.6-41.1176.7-75.7-21.9000112L620 Q621 L627 Q628L620-N624 WeakPolarHBondContact O-CB 3.34Å; L620-N624 PolarHBondContact O-N 2.85Å; L620-N624 PolarHBondContact O-ND2 2.85Å; Q621-N624 PolarHBondContact O-N 3.41Å; N624-L627 PolarHBondContact O-N 2.65Å; N624-Q628 WeakPolarHBondContact O-CB 2.94Å; N624-Q628 VanDerWaalsContact O-CG 3.29Å; N624-Q628 WeakPolarHBondContact O-CG 2.98Å; N624-Q628 PolarHBondContact O-N 2.84Å
625E86.9Confident84.3Confident89 Ų89106.9 Ų106.942%0.41652%0.522SS..Hα-helixtrans-63.3-41.8174.6-75.6175.3-166.300111.7Q621 Q628 N629Q621-E625 WeakPolarHBondContact CG-OE1 3.03Å; Q621-E625 PolarHBondContact NE2-OE1 3.29Å; Q621-E625 WeakPolarHBondContact O-CB 3.49Å; Q621-E625 WeakPolarHBondContact O-CG 3.35Å; Q621-E625 PolarHBondContact O-N 3.22Å; E625-Q628 PolarHBondContact O-N 2.66Å; E625-N629 WeakPolarHBondContact O-CB 3.38Å; E625-N629 PolarHBondContact O-N 2.83Å; E625-N629 PolarHBondContact O-ND2 3.33Å
626R85Confident84Confident166 Ų166105.6 Ų105.663%0.62652%0.515SS*.Hα-helixtrans-63-41.4174-68.6164.7-160.7-166.98.1111.6E622 S623 H630E622-R626 WeakPolarHBondContact O-CB 3.32Å; E622-R626 WeakPolarHBondContact O-CD 3.29Å; E622-R626 WeakPolarHBondContact O-CG 3.14Å; E622-R626 PolarHBondContact O-N 2.99Å; E622-R626 IonicContact OE2-CZ 3.55Å; E622-R626 IonicContact OE2-NH2 3.93Å; E622-R626 PolarHBondContact OE2-NH2 3.43Å; S623-R626 PolarHBondContact O-N 3.34Å; R626-H630 PolarHBondContact O-N 3.26Å
627L86.2Confident84.1Confident99 Ų99104.6 Ų104.652%0.51852%0.516SS..Hα-helixtrans-66.5-43177.1-179.759.2000112.2S623 N624 H630 L631S623-L627 WeakPolarHBondContact O-CB 3.43Å; S623-L627 PolarHBondContact O-N 2.92Å; N624-L627 PolarHBondContact O-N 2.65Å; L627-H630 PolarHBondContact O-N 2.94Å; L627-L631 HydrophobicContact CD1-CD1 4.35Å; L627-L631 HydrophobicContact CG-CD1 4.14Å; L627-L631 WeakPolarHBondContact O-CB 3.45Å; L627-L631 WeakPolarHBondContact O-CG 3.16Å; L627-L631 PolarHBondContact O-N 3.27Å
628Q85.9Confident83.5Confident129 Ų129104.8 Ų104.860%0.60352%0.516SS*.Hα-helixtrans-62.8-43.1175.2-75.7176.75.600111.7N624 E625 H630 L631 Q632N624-Q628 WeakPolarHBondContact O-CB 2.94Å; N624-Q628 VanDerWaalsContact O-CG 3.29Å; N624-Q628 WeakPolarHBondContact O-CG 2.98Å; N624-Q628 PolarHBondContact O-N 2.84Å; E625-Q628 PolarHBondContact O-N 2.66Å; Q628-H630 PolarHBondContact O-N 3.03Å; Q628-L631 PolarHBondContact O-N 3.04Å; Q628-Q632 WeakPolarHBondContact O-CB 3.47Å; Q628-Q632 PolarHBondContact O-N 3.37Å
629N87Confident83.2Confident104 Ų104104.4 Ų104.456%0.55652%0.516SS*.Hα-helixtrans-60-45.7174.2-78.4-58.8000111.5E625 L631 Q632 E633E625-N629 WeakPolarHBondContact O-CB 3.38Å; E625-N629 PolarHBondContact O-N 2.83Å; E625-N629 PolarHBondContact O-ND2 3.33Å; N629-L631 PolarHBondContact O-N 2.89Å; N629-Q632 WeakPolarHBondContact O-CB 3.27Å; N629-Q632 PolarHBondContact O-N 2.62Å; N629-Q632 VanDerWaalsContact O-N 3.17Å; N629-E633 WeakPolarHBondContact O-CG 3.46Å; N629-E633 PolarHBondContact O-N 2.72Å
630H82.9Confident83Confident106 Ų106105.3 Ų105.349%0.49152%0.518SS..Hα-helixtrans-67.5-34.5178.6-169.852000113.3R626 L627 Q628 E633 R634R626-H630 PolarHBondContact O-N 3.26Å; L627-H630 PolarHBondContact O-N 2.94Å; Q628-H630 PolarHBondContact O-N 3.03Å; H630-E633 IonicContact ND1-OE2 2.97Å; H630-E633 PolarHBondContact ND1-OE2 3.37Å; H630-R634 WeakPolarHBondContact O-CB 3.39Å; H630-R634 PolarHBondContact O-N 3.29Å
631L82.4Confident83Confident95 Ų95107.8 Ų107.850%0.49753%0.525SS..Hα-helixtrans-64-41.5170.1-79.5163.8000111.5L627 Q628 N629 R634 M635L627-L631 HydrophobicContact CD1-CD1 4.35Å; L627-L631 HydrophobicContact CG-CD1 4.14Å; L627-L631 WeakPolarHBondContact O-CB 3.45Å; L627-L631 WeakPolarHBondContact O-CG 3.16Å; L627-L631 PolarHBondContact O-N 3.27Å; Q628-L631 PolarHBondContact O-N 3.04Å; N629-L631 PolarHBondContact O-N 2.89Å; L631-R634 PolarHBondContact O-N 2.84Å; L631-M635 WeakPolarHBondContact O-CB 3.25Å; L631-M635 VanDerWaalsContact O-CG 3.31Å; L631-M635 WeakPolarHBondContact O-CG 3.5Å; L631-M635 PolarHBondContact O-N 2.86Å
632Q87.1Confident82.9Confident133 Ų133109.1 Ų109.162%0.62153%0.531SS*.Hα-helixtrans-66.4-41.6177.6-174.662.816.200112.2Q628 N629 R634 M635 S636Q628-Q632 WeakPolarHBondContact O-CB 3.47Å; Q628-Q632 PolarHBondContact O-N 3.37Å; N629-Q632 WeakPolarHBondContact O-CB 3.27Å; N629-Q632 PolarHBondContact O-N 2.62Å; N629-Q632 VanDerWaalsContact O-N 3.17Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; Q632-M635 PolarHBondContact O-N 2.8Å; Q632-S636 WeakPolarHBondContact O-CB 3.23Å; Q632-S636 PolarHBondContact O-N 3.06Å
633E83.4Confident82.9Confident126 Ų126109.2 Ų109.259%0.58953%0.534SS*.Hα-helixtrans-57.5-47.1170.4-72.8175.4160.800111.2N629 H630 S636 A637N629-E633 WeakPolarHBondContact O-CG 3.46Å; N629-E633 PolarHBondContact O-N 2.72Å; H630-E633 IonicContact ND1-OE2 2.97Å; H630-E633 PolarHBondContact ND1-OE2 3.37Å; E633-S636 PolarHBondContact O-N 3.37Å; E633-A637 WeakPolarHBondContact O-CB 3.37Å; E633-A637 PolarHBondContact O-N 3.17Å
634R83.1Confident83Confident165 Ų165110.9 Ų110.962%0.62354%0.537SS*.Hα-helixtrans-65-38.8179.2-174.8173.2178.7142-3.7112.4H630 L631 Q632 A637 L638H630-R634 WeakPolarHBondContact O-CB 3.39Å; H630-R634 PolarHBondContact O-N 3.29Å; L631-R634 PolarHBondContact O-N 2.84Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; R634-A637 PolarHBondContact O-N 2.75Å; R634-L638 HydrophobicContact CG-CD1 4.38Å; R634-L638 WeakPolarHBondContact O-CB 3.42Å; R634-L638 VanDerWaalsContact O-CG 3.28Å; R634-L638 WeakPolarHBondContact O-CG 3.48Å; R634-L638 PolarHBondContact O-N 2.94Å
635M77.2Confident82.7Confident118 Ų118110.6 Ų110.658%0.58154%0.541SS*.Hα-helixtrans-64.4-45.6173.7-74.8-63.3-69.100111.4L631 Q632 A637 L638 E639L631-M635 WeakPolarHBondContact O-CB 3.25Å; L631-M635 VanDerWaalsContact O-CG 3.31Å; L631-M635 WeakPolarHBondContact O-CG 3.5Å; L631-M635 PolarHBondContact O-N 2.86Å; Q632-M635 PolarHBondContact O-N 2.8Å; M635-A637 PolarHBondContact O-N 3.37Å; M635-L638 PolarHBondContact O-N 3.13Å; M635-E639 PolarHBondContact O-N 3.48Å
636S83.1Confident82.6Confident45 Ų45111 Ų11132%0.31555%0.546SS..Hα-helixtrans-63.8-39.2176.5-1690000112.3Q632 E633 L638 E639 Q640Q632-S636 WeakPolarHBondContact O-CB 3.23Å; Q632-S636 PolarHBondContact O-N 3.06Å; E633-S636 PolarHBondContact O-N 3.37Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-L638 PolarHBondContact O-N 2.81Å; S636-E639 PolarHBondContact O-N 3.02Å; S636-Q640 WeakPolarHBondContact O-CB 3.46Å; S636-Q640 VanDerWaalsContact O-CG 3.31Å; S636-Q640 WeakPolarHBondContact O-CG 3.43Å; S636-Q640 PolarHBondContact O-N 3.26Å
637A80Confident82.3Confident58 Ų58107.3 Ų107.348%0.47954%0.536SS..Hα-helixtrans-65.4-35.4174.200000112.8E633 R634 M635 K641E633-A637 WeakPolarHBondContact O-CB 3.37Å; E633-A637 PolarHBondContact O-N 3.17Å; R634-A637 PolarHBondContact O-N 2.75Å; M635-A637 PolarHBondContact O-N 3.37Å; A637-K641 WeakPolarHBondContact O-CB 3.45Å; A637-K641 PolarHBondContact O-N 3.01Å
638L74.7Confident81.8Confident89 Ų89107.2 Ų107.247%0.46654%0.54SS..Hα-helixtrans-69.4-41.5173.5-74.8168.9000112R634 M635 S636 K641 Q642R634-L638 HydrophobicContact CG-CD1 4.38Å; R634-L638 WeakPolarHBondContact O-CB 3.42Å; R634-L638 VanDerWaalsContact O-CG 3.28Å; R634-L638 WeakPolarHBondContact O-CG 3.48Å; R634-L638 PolarHBondContact O-N 2.94Å; M635-L638 PolarHBondContact O-N 3.13Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-L638 PolarHBondContact O-N 2.81Å; L638-K641 PolarHBondContact O-N 3.15Å; L638-Q642 WeakPolarHBondContact O-CB 3.28Å; L638-Q642 PolarHBondContact O-N 3.19Å
639E82.7Confident81.3Confident133 Ų133104.3 Ų104.362%0.62153%0.526SS*.Hα-helixtrans-62.6-44.6174.3-174.3-178.5-165.500111.5M635 S636 K641 Q642 N643M635-E639 PolarHBondContact O-N 3.48Å; S636-E639 PolarHBondContact O-N 3.02Å; E639-K641 PolarHBondContact O-N 3.27Å; E639-Q642 PolarHBondContact O-N 3.27Å; E639-N643 WeakPolarHBondContact O-CB 3.44Å; E639-N643 PolarHBondContact O-N 3.04Å
640Q81.3Confident81.2Confident122 Ų122105.9 Ų105.957%0.5753%0.53SS*.Hα-helixtrans-60.4-43.5173.4-73179.130.100111.7S636 Q642 N643 L644S636-Q640 WeakPolarHBondContact O-CB 3.46Å; S636-Q640 VanDerWaalsContact O-CG 3.31Å; S636-Q640 WeakPolarHBondContact O-CG 3.43Å; S636-Q640 PolarHBondContact O-N 3.26Å; Q640-Q642 VanDerWaalsContact C-N 3.35Å; Q640-Q642 PolarHBondContact O-N 3.47Å; Q640-N643 PolarHBondContact O-N 3.36Å; Q640-L644 WeakPolarHBondContact O-CB 3.49Å; Q640-L644 WeakPolarHBondContact O-CG 3.34Å; Q640-L644 PolarHBondContact O-N 3.48Å
641K81.3Confident80.9Confident150 Ų150106 Ų10665%0.65253%0.533SS*.Hα-helixtrans-61.5-41.2174.9-177.8-177.5176-175.80111.9A637 L638 E639 S645A637-K641 WeakPolarHBondContact O-CB 3.45Å; A637-K641 PolarHBondContact O-N 3.01Å; L638-K641 PolarHBondContact O-N 3.15Å; E639-K641 PolarHBondContact O-N 3.27Å; K641-S645 WeakPolarHBondContact O-CB 3.48Å; K641-S645 PolarHBondContact O-N 2.84Å
642Q84.2Confident80.7Confident129 Ų129106.2 Ų106.260%0.60353%0.53SS*.Hα-helixtrans-66.5-42.4177.1-173.8175.3-0.500111.5L638 E639 Q640 S645 N646L638-Q642 WeakPolarHBondContact O-CB 3.28Å; L638-Q642 PolarHBondContact O-N 3.19Å; E639-Q642 PolarHBondContact O-N 3.27Å; Q640-Q642 VanDerWaalsContact C-N 3.35Å; Q640-Q642 PolarHBondContact O-N 3.47Å; Q642-S645 WeakPolarHBondContact O-CB 3.45Å; Q642-S645 PolarHBondContact O-N 3.13Å; Q642-N646 VanDerWaalsContact O-CG 3.24Å; Q642-N646 PolarHBondContact O-N 2.79Å; Q642-N646 PolarHBondContact O-ND2 2.92Å
643N85.7Confident80.5Confident88 Ų88106.8 Ų106.847%0.47153%0.526SS..Hα-helixtrans-62.3-47175.2-168.6-19.5000111.5E639 Q640 S645 N646 Q647E639-N643 WeakPolarHBondContact O-CB 3.44Å; E639-N643 PolarHBondContact O-N 3.04Å; Q640-N643 PolarHBondContact O-N 3.36Å; N643-S645 VanDerWaalsContact C-N 3.34Å; N643-S645 PolarHBondContact O-N 2.96Å; N643-N646 PolarHBondContact O-N 3.37Å; N643-Q647 WeakPolarHBondContact O-CG 3.38Å; N643-Q647 PolarHBondContact O-N 3.43Å; N643-Q647 PolarHBondContact OD1-NE2 3.29Å
644L80.4Confident80.3Confident104 Ų104103.3 Ų103.355%0.54552%0.519SS..Hα-helixtrans-61.1-40.3173.9-72.1170.3000112.2Q640 N646 Q647 V648Q640-L644 WeakPolarHBondContact O-CB 3.49Å; Q640-L644 WeakPolarHBondContact O-CG 3.34Å; Q640-L644 PolarHBondContact O-N 3.48Å; L644-N646 VanDerWaalsContact C-N 3.34Å; L644-N646 PolarHBondContact O-N 3.05Å; L644-Q647 PolarHBondContact O-N 3.31Å; L644-V648 WeakPolarHBondContact O-CG2 3.29Å; L644-V648 PolarHBondContact O-N 3.29Å
645S75.9Confident80Confident75 Ų75100.4 Ų100.452%0.52452%0.516SS..Hα-helixtrans-61.9-41.2174.7-166.60000112K641 Q642 N643 V648 E649K641-S645 WeakPolarHBondContact O-CB 3.48Å; K641-S645 PolarHBondContact O-N 2.84Å; Q642-S645 WeakPolarHBondContact O-CB 3.45Å; Q642-S645 PolarHBondContact O-N 3.13Å; N643-S645 VanDerWaalsContact C-N 3.34Å; N643-S645 PolarHBondContact O-N 2.96Å; S645-V648 PolarHBondContact O-N 2.86Å; S645-E649 WeakPolarHBondContact O-CB 3.39Å; S645-E649 PolarHBondContact O-N 2.85Å
646N84.8Confident80Confident98 Ų9897.9 Ų97.952%0.52450%0.502SS..Hα-helixtrans-66.5-38.1175.3-69.2-16.1000111.9Q642 N643 L644 E649 Q650Q642-N646 VanDerWaalsContact O-CG 3.24Å; Q642-N646 PolarHBondContact O-N 2.79Å; Q642-N646 PolarHBondContact O-ND2 2.92Å; N643-N646 PolarHBondContact O-N 3.37Å; L644-N646 VanDerWaalsContact C-N 3.34Å; L644-N646 PolarHBondContact O-N 3.05Å; N646-E649 PolarHBondContact O-N 3.34Å; N646-Q650 VanDerWaalsContact O-CB 3.32Å; N646-Q650 WeakPolarHBondContact O-CB 3.33Å; N646-Q650 PolarHBondContact O-N 3.08Å
647Q79.2Confident80Confident87 Ų8798.5 Ų98.541%0.40750%0.504SS..Hα-helixtrans-66.9-42.1175.1-71176.14100112.2N643 L644 Q650 I651N643-Q647 WeakPolarHBondContact O-CG 3.38Å; N643-Q647 PolarHBondContact O-N 3.43Å; N643-Q647 PolarHBondContact OD1-NE2 3.29Å; L644-Q647 PolarHBondContact O-N 3.31Å; Q647-Q650 PolarHBondContact O-N 2.93Å; Q647-I651 WeakPolarHBondContact O-CB 3.36Å; Q647-I651 VanDerWaalsContact O-CG1 3.24Å; Q647-I651 WeakPolarHBondContact O-CG1 3.47Å; Q647-I651 PolarHBondContact O-N 2.94Å
648V74.7Confident79.8Confident98 Ų9898.1 Ų98.159%0.59450%0.501SS*.Hα-helixtrans-61-45.4174.9168.30000110.8L644 S645 I651 K652L644-V648 WeakPolarHBondContact O-CG2 3.29Å; L644-V648 PolarHBondContact O-N 3.29Å; S645-V648 PolarHBondContact O-N 2.86Å; V648-I651 PolarHBondContact O-N 3.2Å; V648-K652 WeakPolarHBondContact O-CB 3.33Å; V648-K652 PolarHBondContact O-N 3.08Å
649E77.3Confident80.1Confident68 Ų6897 Ų9732%0.31850%0.495SS..Hα-helixtrans-65.8-36.8176.4176.761-170.100112.3S645 N646 K652 R653S645-E649 WeakPolarHBondContact O-CB 3.39Å; S645-E649 PolarHBondContact O-N 2.85Å; N646-E649 PolarHBondContact O-N 3.34Å; E649-K652 PolarHBondContact O-N 3.3Å; E649-R653 VanDerWaalsContact CG-NH2 3.31Å; E649-R653 VanDerWaalsContact O-CG 3.31Å; E649-R653 WeakPolarHBondContact O-CG 3.33Å; E649-R653 PolarHBondContact O-N 3.43Å; E649-R653 IonicContact OE1-CZ 2.68Å; E649-R653 IonicContact OE1-NE 3.4Å; E649-R653 PolarHBondContact OE1-NE 3.5Å; E649-R653 IonicContact OE1-NH2 3.17Å; E649-R653 PolarHBondContact OE1-NH2 3.01Å
650Q84.2Confident80Confident137 Ų13797.8 Ų97.864%0.6449%0.492SS*.Hα-helixtrans-65.7-44.2173.5-173179.818.600112.1N646 Q647 K652 R653 A654N646-Q650 VanDerWaalsContact O-CB 3.32Å; N646-Q650 WeakPolarHBondContact O-CB 3.33Å; N646-Q650 PolarHBondContact O-N 3.08Å; Q647-Q650 PolarHBondContact O-N 2.93Å; Q650-K652 VanDerWaalsContact C-N 3.33Å; Q650-R653 PolarHBondContact O-N 3.16Å; Q650-A654 WeakPolarHBondContact O-CB 3.48Å; Q650-A654 PolarHBondContact O-N 3.2Å
651I76Confident80.1Confident109 Ų10998 Ų9856%0.55949%0.493SS*.Hα-helixtrans-63.3-40.9175.8-70.6164.7000110.4Q647 V648 A654 L655Q647-I651 WeakPolarHBondContact O-CB 3.36Å; Q647-I651 VanDerWaalsContact O-CG1 3.24Å; Q647-I651 WeakPolarHBondContact O-CG1 3.47Å; Q647-I651 PolarHBondContact O-N 2.94Å; V648-I651 PolarHBondContact O-N 3.2Å; I651-A654 PolarHBondContact O-N 3.23Å; I651-L655 WeakPolarHBondContact O-CB 3.42Å; I651-L655 PolarHBondContact O-N 3.47Å
652K78.4Confident80Confident98 Ų9896.7 Ų96.743%0.42648%0.484SS..Hα-helixtrans-60.2-48.7175.7-175-179.3175.5-96.80111.6V648 E649 Q650 A654 L655 E656V648-K652 WeakPolarHBondContact O-CB 3.33Å; V648-K652 PolarHBondContact O-N 3.08Å; E649-K652 PolarHBondContact O-N 3.3Å; Q650-K652 VanDerWaalsContact C-N 3.33Å; K652-A654 VanDerWaalsContact C-N 3.33Å; K652-A654 PolarHBondContact O-N 2.95Å; K652-L655 WeakPolarHBondContact O-CB 3.21Å; K652-L655 PolarHBondContact O-N 2.95Å; K652-E656 WeakPolarHBondContact CE-OE1 3.35Å; K652-E656 IonicContact NZ-OE1 3.39Å; K652-E656 PolarHBondContact NZ-OE1 3.39Å; K652-E656 WeakPolarHBondContact O-CG 3.45Å; K652-E656 PolarHBondContact O-N 3.45Å
653R83.5Confident79.9Confident145 Ų14593.9 Ų93.955%0.54747%0.471SS..Hα-helixtrans-61.2-39.8175.8-69.5171.4-166.2178.15.7112.4E649 Q650 L655 E656 T657E649-R653 VanDerWaalsContact CG-NH2 3.31Å; E649-R653 VanDerWaalsContact O-CG 3.31Å; E649-R653 WeakPolarHBondContact O-CG 3.33Å; E649-R653 PolarHBondContact O-N 3.43Å; E649-R653 IonicContact OE1-CZ 2.68Å; E649-R653 IonicContact OE1-NE 3.4Å; E649-R653 PolarHBondContact OE1-NE 3.5Å; E649-R653 IonicContact OE1-NH2 3.17Å; E649-R653 PolarHBondContact OE1-NH2 3.01Å; Q650-R653 PolarHBondContact O-N 3.16Å; R653-L655 VanDerWaalsContact C-N 3.34Å; R653-E656 PolarHBondContact O-N 3.27Å; R653-T657 PolarHBondContact O-N 3.29Å; R653-T657 PolarHBondContact O-OG1 2.86Å
654A77.8Confident79.8Confident53 Ų5392.3 Ų92.344%0.43847%0.47SS..Hα-helixtrans-64.8-36.9176.200000112.5Q650 I651 K652 T657 A658Q650-A654 WeakPolarHBondContact O-CB 3.48Å; Q650-A654 PolarHBondContact O-N 3.2Å; I651-A654 PolarHBondContact O-N 3.23Å; K652-A654 VanDerWaalsContact C-N 3.33Å; K652-A654 PolarHBondContact O-N 2.95Å; A654-T657 WeakPolarHBondContact CA-OG1 3.14Å; A654-T657 PolarHBondContact O-OG1 2.97Å; A654-A658 WeakPolarHBondContact O-CB 3.42Å; A654-A658 PolarHBondContact O-N 3.33Å
655L77.5Confident79.7Confident105 Ų10592.3 Ų92.355%0.5547%0.471SS..Hα-helixtrans-68.5-42.9172.3-177.962000111.5I651 K652 R653 T657 A658 I659I651-L655 WeakPolarHBondContact O-CB 3.42Å; I651-L655 PolarHBondContact O-N 3.47Å; K652-L655 WeakPolarHBondContact O-CB 3.21Å; K652-L655 PolarHBondContact O-N 2.95Å; R653-L655 VanDerWaalsContact C-N 3.34Å; L655-T657 VanDerWaalsContact C-N 3.28Å; L655-T657 PolarHBondContact O-N 2.97Å; L655-A658 PolarHBondContact O-N 3.48Å; L655-I659 HydrophobicContact CD1-CD1 4.18Å; L655-I659 HydrophobicContact CD1-CG1 4.34Å; L655-I659 HydrophobicContact CG-CD1 3.92Å; L655-I659 WeakPolarHBondContact O-CB 3.43Å; L655-I659 VanDerWaalsContact O-CG1 3.3Å; L655-I659 WeakPolarHBondContact O-CG1 3.29Å; L655-I659 PolarHBondContact O-N 3.41Å
656E77.1Confident80Confident65 Ų6592.1 Ų92.130%0.30446%0.463SS..Hα-helixtrans-64.2-27.3175.1-71.6170.1-176.700113K652 R653 R660K652-E656 WeakPolarHBondContact CE-OE1 3.35Å; K652-E656 IonicContact NZ-OE1 3.39Å; K652-E656 PolarHBondContact NZ-OE1 3.39Å; K652-E656 WeakPolarHBondContact O-CG 3.45Å; K652-E656 PolarHBondContact O-N 3.45Å; R653-E656 PolarHBondContact O-N 3.27Å; E656-R660 WeakPolarHBondContact O-CG 3.4Å; E656-R660 PolarHBondContact O-NE 3.13Å
657T83Confident80Confident58 Ų5891.8 Ų91.836%0.35647%0.465SS..Hα-helixtrans-74.5-46.9167.4410000112.1R653 A654 L655 I659 R660 E661R653-T657 PolarHBondContact O-N 3.29Å; R653-T657 PolarHBondContact O-OG1 2.86Å; A654-T657 WeakPolarHBondContact CA-OG1 3.14Å; A654-T657 PolarHBondContact O-OG1 2.97Å; L655-T657 VanDerWaalsContact C-N 3.28Å; L655-T657 PolarHBondContact O-N 2.97Å; T657-I659 VanDerWaalsContact C-N 3.29Å; T657-I659 PolarHBondContact O-N 2.76Å; T657-R660 VanDerWaalsContact CG2-NH2 3.34Å; T657-R660 PolarHBondContact O-N 2.87Å; T657-R660 VanDerWaalsContact O-N 3.16Å; T657-E661 PolarHBondContact O-N 3.46Å
658A75.2Confident80.2Confident50 Ų5093 Ų9341%0.41347%0.47SS..Hα-helixtrans-63.3-33.4-179.200000113A654 L655 R662A654-A658 WeakPolarHBondContact O-CB 3.42Å; A654-A658 PolarHBondContact O-N 3.33Å; L655-A658 PolarHBondContact O-N 3.48Å; A658-R662 VanDerWaalsContact O-CB 3.29Å; A658-R662 WeakPolarHBondContact O-CB 3.22Å; A658-R662 PolarHBondContact O-N 3.33Å
659I80.9Confident80.1Confident66 Ų6690.8 Ų90.834%0.33846%0.46SS..Hα-helixtrans-64.5-49172.9-71.8167.4000110.6L655 T657 E661 R662 E663L655-I659 HydrophobicContact CD1-CD1 4.18Å; L655-I659 HydrophobicContact CD1-CG1 4.34Å; L655-I659 HydrophobicContact CG-CD1 3.92Å; L655-I659 WeakPolarHBondContact O-CB 3.43Å; L655-I659 VanDerWaalsContact O-CG1 3.3Å; L655-I659 WeakPolarHBondContact O-CG1 3.29Å; L655-I659 PolarHBondContact O-N 3.41Å; T657-I659 VanDerWaalsContact C-N 3.29Å; T657-I659 PolarHBondContact O-N 2.76Å; I659-E661 PolarHBondContact O-N 3.07Å; I659-R662 CarbonylContact O-C 3.58Å; I659-R662 WeakPolarHBondContact O-CB 3.4Å; I659-R662 PolarHBondContact O-N 3.46Å; I659-R662 VanDerWaalsContact O-N 3.13Å; I659-E663 HydrophobicContact CG2-CG 4.45Å; I659-E663 VanDerWaalsContact CG2-OE1 3.27Å; I659-E663 WeakPolarHBondContact CG2-OE1 3.37Å; I659-E663 WeakPolarHBondContact O-CG 3.49Å; I659-E663 PolarHBondContact O-N 3.26Å
660R82.3Confident80.1Confident148 Ų14893.4 Ų93.456%0.55847%0.474SS*.Hα-helixtrans-63.8-38.6178.3-76.3178.9-71.6153.5-5.5112.9E656 T657 E663 A664E656-R660 WeakPolarHBondContact O-CG 3.4Å; E656-R660 PolarHBondContact O-NE 3.13Å; T657-R660 VanDerWaalsContact CG2-NH2 3.34Å; T657-R660 PolarHBondContact O-N 2.87Å; T657-R660 VanDerWaalsContact O-N 3.16Å; R660-E663 PolarHBondContact O-N 3.37Å; R660-A664 WeakPolarHBondContact O-CB 3.22Å; R660-A664 PolarHBondContact O-N 3.18Å
661E83.3Confident80.1Confident126 Ų12690.6 Ų90.659%0.58946%0.462SS*.Hα-helixtrans-63-42.5172.3-73.5175.6-166.500111.3T657 I659 A664 N665T657-E661 PolarHBondContact O-N 3.46Å; I659-E661 PolarHBondContact O-N 3.07Å; E661-A664 PolarHBondContact O-N 3.11Å; E661-N665 WeakPolarHBondContact O-CB 3.45Å; E661-N665 PolarHBondContact O-N 3.04Å; E661-N665 PolarHBondContact O-ND2 3.12Å
662R77.9Confident80.4Confident123 Ų12387.9 Ų87.946%0.46445%0.449SS..Hα-helixtrans-63.6-39.6175.2179.3174.5173.1-88-0.3112.2A658 I659 N665 I666A658-R662 VanDerWaalsContact O-CB 3.29Å; A658-R662 WeakPolarHBondContact O-CB 3.22Å; A658-R662 PolarHBondContact O-N 3.33Å; I659-R662 CarbonylContact O-C 3.58Å; I659-R662 WeakPolarHBondContact O-CB 3.4Å; I659-R662 PolarHBondContact O-N 3.46Å; I659-R662 VanDerWaalsContact O-N 3.13Å; R662-N665 PolarHBondContact O-N 3.45Å; R662-I666 HydrophobicContact CG-CD1 3.96Å; R662-I666 WeakPolarHBondContact O-CB 3.32Å; R662-I666 WeakPolarHBondContact O-CD1 3.19Å; R662-I666 VanDerWaalsContact O-CG1 3.23Å; R662-I666 WeakPolarHBondContact O-CG1 3.46Å; R662-I666 PolarHBondContact O-N 3.35Å
663E82.7Confident80.4Confident70 Ų7091.7 Ų91.733%0.32746%0.461SS..Hα-helixtrans-67.1-42.2176.5-73165.3175.900112.1I659 R660 I666 T667I659-E663 HydrophobicContact CG2-CG 4.45Å; I659-E663 VanDerWaalsContact CG2-OE1 3.27Å; I659-E663 WeakPolarHBondContact CG2-OE1 3.37Å; I659-E663 WeakPolarHBondContact O-CG 3.49Å; I659-E663 PolarHBondContact O-N 3.26Å; R660-E663 PolarHBondContact O-N 3.37Å; E663-I666 PolarHBondContact O-N 2.99Å; E663-T667 PolarHBondContact O-N 3.3Å; E663-T667 PolarHBondContact O-OG1 2.99Å
664A82.9Confident80.2Confident55 Ų5589.8 Ų89.846%0.45546%0.458SS..Hα-helixtrans-59.1-48172.100000111.5R660 E661 I666 T667 E668R660-A664 WeakPolarHBondContact O-CB 3.22Å; R660-A664 PolarHBondContact O-N 3.18Å; E661-A664 PolarHBondContact O-N 3.11Å; A664-I666 VanDerWaalsContact C-N 3.3Å; A664-I666 PolarHBondContact O-N 3.05Å; A664-T667 PolarHBondContact O-N 3.43Å; A664-T667 PolarHBondContact O-OG1 3.26Å; A664-E668 PolarHBondContact O-N 3.48Å
665N79.9Confident80.5Confident105 Ų10592.7 Ų92.756%0.56146%0.461SS*.Hα-helixtrans-62.5-33.2175.9-76.4-65.4000113.1E661 R662 S669E661-N665 WeakPolarHBondContact O-CB 3.45Å; E661-N665 PolarHBondContact O-N 3.04Å; E661-N665 PolarHBondContact O-ND2 3.12Å; R662-N665 PolarHBondContact O-N 3.45Å; N665-S669 VanDerWaalsContact O-CB 3.26Å; N665-S669 WeakPolarHBondContact O-CB 3.26Å; N665-S669 PolarHBondContact O-N 2.89Å
666I82.3Confident80.6Confident71 Ų7192 Ų9236%0.36446%0.457SS..Hα-helixtrans-70-46.1174.9-73.7164.9000110.8R662 E663 A664 E668 S669 M670R662-I666 HydrophobicContact CG-CD1 3.96Å; R662-I666 WeakPolarHBondContact O-CB 3.32Å; R662-I666 WeakPolarHBondContact O-CD1 3.19Å; R662-I666 VanDerWaalsContact O-CG1 3.23Å; R662-I666 WeakPolarHBondContact O-CG1 3.46Å; R662-I666 PolarHBondContact O-N 3.35Å; E663-I666 PolarHBondContact O-N 2.99Å; A664-I666 VanDerWaalsContact C-N 3.3Å; A664-I666 PolarHBondContact O-N 3.05Å; I666-E668 PolarHBondContact O-N 2.82Å; I666-S669 WeakPolarHBondContact O-CB 3.34Å; I666-S669 PolarHBondContact O-N 3.49Å; I666-M670 HydrophobicContact CG2-CG 4.45Å; I666-M670 HydrophobicContact CG2-SD 3.96Å; I666-M670 WeakPolarHBondContact O-CG 3.34Å; I666-M670 PolarHBondContact O-N 3.47Å
667T83.9Confident80.8Confident91 Ų9192.2 Ų92.256%0.55847%0.465SS*.Hα-helixtrans-65.2-37.5178.952.80000112.4E663 A664 M670 L671E663-T667 PolarHBondContact O-N 3.3Å; E663-T667 PolarHBondContact O-OG1 2.99Å; A664-T667 PolarHBondContact O-N 3.43Å; A664-T667 PolarHBondContact O-OG1 3.26Å; T667-M670 PolarHBondContact O-N 2.91Å; T667-L671 WeakPolarHBondContact O-CB 3.29Å; T667-L671 PolarHBondContact O-N 3.31Å
668E82.9Confident80.7Confident111 Ų11194.3 Ų94.352%0.51947%0.471SS..Hα-helixtrans-63.6-43.8170.4-172.4177.6-173.700111.8A664 I666 M670 L671 L672A664-E668 PolarHBondContact O-N 3.48Å; I666-E668 PolarHBondContact O-N 2.82Å; E668-M670 VanDerWaalsContact C-N 3.29Å; E668-M670 PolarHBondContact O-N 3.38Å; E668-L671 PolarHBondContact O-N 2.99Å; E668-L672 HydrophobicContact CG-CD1 4.11Å; E668-L672 HydrophobicContact CG-CG 4.42Å; E668-L672 WeakPolarHBondContact O-CB 2.97Å; E668-L672 VanDerWaalsContact O-CG 3.31Å; E668-L672 WeakPolarHBondContact O-CG 3.4Å; E668-L672 PolarHBondContact O-N 2.68Å
669S72.7Confident81.1Confident53 Ų5395.7 Ų95.737%0.37147%0.471SS..Hα-helixtrans-59-38.4174.7-179.80000112.5N665 I666 R673N665-S669 VanDerWaalsContact O-CB 3.26Å; N665-S669 WeakPolarHBondContact O-CB 3.26Å; N665-S669 PolarHBondContact O-N 2.89Å; I666-S669 WeakPolarHBondContact O-CB 3.34Å; I666-S669 PolarHBondContact O-N 3.49Å; S669-R673 WeakPolarHBondContact O-CB 3.39Å; S669-R673 WeakPolarHBondContact O-CD 3.46Å; S669-R673 VanDerWaalsContact O-CG 3.25Å; S669-R673 WeakPolarHBondContact O-CG 3.44Å; S669-R673 PolarHBondContact O-N 2.96Å
670M78.2Confident81Confident123 Ų12394.5 Ų94.561%0.60647%0.471SS*.Hα-helixtrans-69.4-43.7175-68.617684.800111.7I666 T667 E668 L672 R673 Q674I666-M670 HydrophobicContact CG2-CG 4.45Å; I666-M670 HydrophobicContact CG2-SD 3.96Å; I666-M670 WeakPolarHBondContact O-CG 3.34Å; I666-M670 PolarHBondContact O-N 3.47Å; T667-M670 PolarHBondContact O-N 2.91Å; E668-M670 VanDerWaalsContact C-N 3.29Å; E668-M670 PolarHBondContact O-N 3.38Å; M670-L672 VanDerWaalsContact C-N 3.32Å; M670-L672 PolarHBondContact O-N 3.38Å; M670-R673 PolarHBondContact O-N 3.47Å; M670-R673 VanDerWaalsContact O-N 3.17Å; M670-Q674 PolarHBondContact O-N 2.74Å
671L83.8Confident80.9Confident78 Ų7889.8 Ų89.841%0.40846%0.464SS..Hα-helixtrans-60.9-39.6174.5-175.469.7000112.1T667 E668 Q674 K675T667-L671 WeakPolarHBondContact O-CB 3.29Å; T667-L671 PolarHBondContact O-N 3.31Å; E668-L671 PolarHBondContact O-N 2.99Å; L671-Q674 PolarHBondContact O-N 2.97Å; L671-K675 HydrophobicContact CG-CD 4.43Å; L671-K675 WeakPolarHBondContact O-CG 3.37Å; L671-K675 PolarHBondContact O-N 3.29Å
672L81.3Confident80.7Confident52 Ų5286.5 Ų86.527%0.27246%0.459SS..Hα-helixtrans-66.1-39.6174.6-73.3170000111.8E668 M670 L676E668-L672 HydrophobicContact CG-CD1 4.11Å; E668-L672 HydrophobicContact CG-CG 4.42Å; E668-L672 WeakPolarHBondContact O-CB 2.97Å; E668-L672 VanDerWaalsContact O-CG 3.31Å; E668-L672 WeakPolarHBondContact O-CG 3.4Å; E668-L672 PolarHBondContact O-N 2.68Å; M670-L672 VanDerWaalsContact C-N 3.32Å; M670-L672 PolarHBondContact O-N 3.38Å; L672-L676 WeakPolarHBondContact O-CB 3.38Å; L672-L676 PolarHBondContact O-N 2.86Å
673R79.2Confident81Confident178 Ų17886.8 Ų86.867%0.67246%0.463SS*.Hα-helixtrans-67.1-38.9174-74.1166.9-178-92.30.1112.5S669 M670 L676 S677S669-R673 WeakPolarHBondContact O-CB 3.39Å; S669-R673 WeakPolarHBondContact O-CD 3.46Å; S669-R673 VanDerWaalsContact O-CG 3.25Å; S669-R673 WeakPolarHBondContact O-CG 3.44Å; S669-R673 PolarHBondContact O-N 2.96Å; M670-R673 PolarHBondContact O-N 3.47Å; M670-R673 VanDerWaalsContact O-N 3.17Å; R673-L676 PolarHBondContact O-N 3.37Å; R673-S677 WeakPolarHBondContact O-CB 3.38Å; R673-S677 PolarHBondContact O-N 3.35Å
674Q79.7Confident80.9Confident105 Ų10590.4 Ų90.449%0.49147%0.474SS..Hα-helixtrans-60.1-52.6173.2178.3-179.9-12.600110.6M670 L671 L676 S677 E678M670-Q674 PolarHBondContact O-N 2.74Å; L671-Q674 PolarHBondContact O-N 2.97Å; Q674-L676 PolarHBondContact O-N 3.24Å; Q674-S677 CarbonylContact O-C 3.53Å; Q674-S677 WeakPolarHBondContact O-CA 3.15Å; Q674-S677 WeakPolarHBondContact O-CB 3.48Å; Q674-S677 PolarHBondContact O-N 3.3Å; Q674-E678 HydrophobicContact CG-CG 4.36Å; Q674-E678 VanDerWaalsContact CG-OE1 3.31Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.23Å; Q674-E678 PolarHBondContact NE2-OE1 2.96Å; Q674-E678 WeakPolarHBondContact O-CG 3.04Å; Q674-E678 PolarHBondContact O-N 3.02Å
675K82.9Confident80.8Confident114 Ų11495.2 Ų95.250%0.49648%0.482SS..Hα-helixtrans-57.7-36.4177-72.5170.5179.6174.50112.5L671 L679L671-K675 HydrophobicContact CG-CD 4.43Å; L671-K675 WeakPolarHBondContact O-CG 3.37Å; L671-K675 PolarHBondContact O-N 3.29Å; K675-L679 WeakPolarHBondContact O-CB 3.35Å; K675-L679 PolarHBondContact O-N 2.9Å
676L80.3Confident80.9Confident89 Ų8992.4 Ų92.447%0.46647%0.47SS..Hα-helixtrans-67.9-37.6174-151.979.8000112.3L366 L672 R673 Q674 A680L366-L676 HydrophobicContact CD2-CD1 4.44Å; L672-L676 WeakPolarHBondContact O-CB 3.38Å; L672-L676 PolarHBondContact O-N 2.86Å; R673-L676 PolarHBondContact O-N 3.37Å; Q674-L676 PolarHBondContact O-N 3.24Å; L676-A680 WeakPolarHBondContact O-CB 3.33Å; L676-A680 PolarHBondContact O-N 2.92Å
677S82Confident80.8Confident70 Ų7094.4 Ų94.449%0.4948%0.478SS..Hα-helixtrans-70.2-42.9177.2-167.50000112.3R673 Q674 A680 A681R673-S677 WeakPolarHBondContact O-CB 3.38Å; R673-S677 PolarHBondContact O-N 3.35Å; Q674-S677 CarbonylContact O-C 3.53Å; Q674-S677 WeakPolarHBondContact O-CA 3.15Å; Q674-S677 WeakPolarHBondContact O-CB 3.48Å; Q674-S677 PolarHBondContact O-N 3.3Å; S677-A680 CarbonylContact O-C 3.42Å; S677-A680 PolarHBondContact O-N 2.74Å; S677-A681 WeakPolarHBondContact O-CB 3.48Å; S677-A681 PolarHBondContact O-N 3.24Å
678E79.9Confident80.4Confident103 Ų10392.3 Ų92.348%0.48147%0.47SS..Hα-helixtrans-60.4-45.4173.6-72.5169.3-179.800111Q674 A680 A681 A682Q674-E678 HydrophobicContact CG-CG 4.36Å; Q674-E678 VanDerWaalsContact CG-OE1 3.31Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.23Å; Q674-E678 PolarHBondContact NE2-OE1 2.96Å; Q674-E678 WeakPolarHBondContact O-CG 3.04Å; Q674-E678 PolarHBondContact O-N 3.02Å; E678-A680 PolarHBondContact O-N 2.74Å; E678-A681 WeakPolarHBondContact O-CB 3.47Å; E678-A681 PolarHBondContact O-N 2.68Å; E678-A682 PolarHBondContact O-N 2.92Å
679L83.2Confident80.5Confident79 Ų7992 Ų9241%0.41447%0.468SS..Hα-helixtrans-62-42173.6-173.374.2000112K675 A681 A682 F683K675-L679 WeakPolarHBondContact O-CB 3.35Å; K675-L679 PolarHBondContact O-N 2.9Å; L679-A681 VanDerWaalsContact C-N 3.31Å; L679-A681 PolarHBondContact O-N 3.43Å; L679-A682 PolarHBondContact O-N 3.41Å; L679-F683 WeakPolarHBondContact O-CB 3.47Å; L679-F683 PolarHBondContact O-N 2.97Å
680A80Confident80.8Confident40 Ų4092.1 Ų92.133%0.33146%0.464SS..Hα-helixtrans-68.5-28.1175.600000112.8L676 S677 E678 R684L676-A680 WeakPolarHBondContact O-CB 3.33Å; L676-A680 PolarHBondContact O-N 2.92Å; S677-A680 CarbonylContact O-C 3.42Å; S677-A680 PolarHBondContact O-N 2.74Å; E678-A680 PolarHBondContact O-N 2.74Å; A680-R684 WeakPolarHBondContact O-CB 3.33Å; A680-R684 WeakPolarHBondContact O-CG 3.45Å; A680-R684 PolarHBondContact O-N 2.91Å; A680-R684 VanDerWaalsContact O-N 3.08Å; A680-R684 PolarHBondContact O-NE 3.31Å
681A79.5Confident80.7Confident50 Ų5088.7 Ų88.741%0.41346%0.456SS..Hα-helixtrans-71.7-45.6171.500000111S677 E678 L679 F683 R684 Y685S677-A681 WeakPolarHBondContact O-CB 3.48Å; S677-A681 PolarHBondContact O-N 3.24Å; E678-A681 WeakPolarHBondContact O-CB 3.47Å; E678-A681 PolarHBondContact O-N 2.68Å; L679-A681 VanDerWaalsContact C-N 3.31Å; L679-A681 PolarHBondContact O-N 3.43Å; A681-F683 VanDerWaalsContact C-N 3.32Å; A681-F683 PolarHBondContact O-N 3.34Å; A681-R684 PolarHBondContact O-N 3.01Å; A681-Y685 WeakPolarHBondContact O-CB 3.37Å; A681-Y685 PolarHBondContact O-N 2.74Å
682A80.2Confident80.3Confident57 Ų5790.4 Ų90.447%0.47146%0.464SS..Hα-helixtrans-59.3-41173.600000112.2E678 L679 Y685 S686E678-A682 PolarHBondContact O-N 2.92Å; L679-A682 PolarHBondContact O-N 3.41Å; A682-Y685 PolarHBondContact O-N 2.96Å; A682-S686 PolarHBondContact O-N 3.47Å
683F82.5Confident80.1Confident129 Ų12990.4 Ų90.457%0.56647%0.472SS*.Hα-helixtrans-64.9-42.3174.4-174.6-92.4000112.7L679 A681 Y685 S686 Q687L679-F683 WeakPolarHBondContact O-CB 3.47Å; L679-F683 PolarHBondContact O-N 2.97Å; A681-F683 VanDerWaalsContact C-N 3.32Å; A681-F683 PolarHBondContact O-N 3.34Å; F683-Y685 VanDerWaalsContact C-N 3.31Å; F683-Y685 PolarHBondContact O-N 2.73Å; F683-S686 PolarHBondContact O-N 3.3Å; F683-S686 PolarHBondContact O-OG 3.5Å; F683-S686 VanDerWaalsContact O-OG 3.05Å; F683-Q687 VanDerWaalsContact O-CB 3.3Å; F683-Q687 WeakPolarHBondContact O-CB 3.13Å; F683-Q687 PolarHBondContact O-N 2.83Å
684R81.2Confident80.1Confident145 Ų14588.2 Ų88.255%0.54747%0.469SS..Hα-helixtrans-65.5-35.2174.1-78.9173.2-72.6-166.21.9112A680 A681 A688A680-R684 WeakPolarHBondContact O-CB 3.33Å; A680-R684 WeakPolarHBondContact O-CG 3.45Å; A680-R684 PolarHBondContact O-N 2.91Å; A680-R684 VanDerWaalsContact O-N 3.08Å; A680-R684 PolarHBondContact O-NE 3.31Å; A681-R684 PolarHBondContact O-N 3.01Å; R684-A688 WeakPolarHBondContact O-CB 3.35Å; R684-A688 PolarHBondContact O-N 3.11Å
685Y80.4Confident80Confident157 Ų15787.7 Ų87.762%0.61647%0.473SS*.Hα-helixtrans-67.1-45.1175.6-175.9-98.8000112.2A681 A682 F683 A688 Q689A681-Y685 WeakPolarHBondContact O-CB 3.37Å; A681-Y685 PolarHBondContact O-N 2.74Å; A682-Y685 PolarHBondContact O-N 2.96Å; F683-Y685 VanDerWaalsContact C-N 3.31Å; F683-Y685 PolarHBondContact O-N 2.73Å; Y685-A688 PolarHBondContact O-N 3.15Å; Y685-Q689 HydrophobicContact CE1-CG 4.16Å; Y685-Q689 VanDerWaalsContact CZ-NE2 3.34Å; Y685-Q689 PolarHBondContact O-N 3.47Å; Y685-Q689 PolarHBondContact OH-NE2 3.04Å
686S81.9Confident79.7Confident45 Ų4586 Ų8632%0.31548%0.476SS..Hα-helixtrans-65.9-38.8174.868.20000111.9A682 F683 A688 Q689 L690A682-S686 PolarHBondContact O-N 3.47Å; F683-S686 PolarHBondContact O-N 3.3Å; F683-S686 PolarHBondContact O-OG 3.5Å; F683-S686 VanDerWaalsContact O-OG 3.05Å; S686-A688 VanDerWaalsContact C-N 3.33Å; S686-A688 PolarHBondContact O-N 2.8Å; S686-Q689 PolarHBondContact O-N 2.92Å; S686-L690 WeakPolarHBondContact O-CB 3.19Å; S686-L690 WeakPolarHBondContact O-CD1 3.48Å; S686-L690 WeakPolarHBondContact O-CG 3.4Å; S686-L690 PolarHBondContact O-N 2.9Å
687Q80Confident79.7Confident114 Ų11485.5 Ų85.553%0.53348%0.476SS..Hα-helixtrans-61.6-38.8172.8-170.1177.318.700112.3F683 L690 A691F683-Q687 VanDerWaalsContact O-CB 3.3Å; F683-Q687 WeakPolarHBondContact O-CB 3.13Å; F683-Q687 PolarHBondContact O-N 2.83Å; Q687-L690 PolarHBondContact O-N 3.32Å; Q687-A691 PolarHBondContact O-N 2.79Å
688A77.4Confident79.4Confident47 Ų4785.5 Ų85.539%0.38848%0.476SS..Hα-helixtrans-68.4-42.8175.300000112.4R684 Y685 S686 L690 A691 I692R684-A688 WeakPolarHBondContact O-CB 3.35Å; R684-A688 PolarHBondContact O-N 3.11Å; Y685-A688 PolarHBondContact O-N 3.15Å; S686-A688 VanDerWaalsContact C-N 3.33Å; S686-A688 PolarHBondContact O-N 2.8Å; A688-L690 VanDerWaalsContact C-N 3.34Å; A688-L690 PolarHBondContact O-N 3.08Å; A688-A691 WeakPolarHBondContact O-CB 3.43Å; A688-A691 PolarHBondContact O-N 3Å; A688-I692 WeakPolarHBondContact O-CG1 3.35Å; A688-I692 PolarHBondContact O-N 3.11Å
689Q83.5Confident79.2Confident105 Ų10583.2 Ų83.249%0.49148%0.475SS..Hα-helixtrans-60.9-42.3173.4-73.7-158.8-100111.9Y685 S686 A691 I692 A693Y685-Q689 HydrophobicContact CE1-CG 4.16Å; Y685-Q689 VanDerWaalsContact CZ-NE2 3.34Å; Y685-Q689 PolarHBondContact O-N 3.47Å; Y685-Q689 PolarHBondContact OH-NE2 3.04Å; S686-Q689 PolarHBondContact O-N 2.92Å; Q689-A691 VanDerWaalsContact C-N 3.34Å; Q689-A691 PolarHBondContact O-N 3.21Å; Q689-I692 PolarHBondContact O-N 3.04Å; Q689-A693 PolarHBondContact O-N 2.74Å
690L78.6Confident78.9Confident54 Ų5481.7 Ų81.728%0.28347%0.474SS..Hα-helixtrans-59.7-42.3173.7-77.2160000112S686 Q687 A688 I692 A693 H694S686-L690 WeakPolarHBondContact O-CB 3.19Å; S686-L690 WeakPolarHBondContact O-CD1 3.48Å; S686-L690 WeakPolarHBondContact O-CG 3.4Å; S686-L690 PolarHBondContact O-N 2.9Å; Q687-L690 PolarHBondContact O-N 3.32Å; A688-L690 VanDerWaalsContact C-N 3.34Å; A688-L690 PolarHBondContact O-N 3.08Å; L690-I692 PolarHBondContact O-N 3.14Å; L690-A693 PolarHBondContact O-N 2.94Å; L690-H694 PolarHBondContact O-CD2 2.96Å; L690-H694 PolarHBondContact O-N 2.99Å
691A77Confident78.7Confident52 Ų5285.5 Ų85.543%0.4349%0.485SS..Hα-helixtrans-62.6-41175.500000112.2Q687 A688 Q689 H694 T695Q687-A691 PolarHBondContact O-N 2.79Å; A688-A691 WeakPolarHBondContact O-CB 3.43Å; A688-A691 PolarHBondContact O-N 3Å; Q689-A691 VanDerWaalsContact C-N 3.34Å; Q689-A691 PolarHBondContact O-N 3.21Å; A691-H694 PolarHBondContact O-N 3.42Å; A691-T695 WeakPolarHBondContact O-CG2 3.45Å; A691-T695 PolarHBondContact O-N 2.77Å; A691-T695 PolarHBondContact O-OG1 2.84Å
692I75.2Confident78.4Confident114 Ų11485.7 Ų85.759%0.58549%0.486SS*.Hα-helixtrans-65.7-40.2175.8-66.3163.6000111.4A688 Q689 L690 H694 T695 S696A688-I692 WeakPolarHBondContact O-CG1 3.35Å; A688-I692 PolarHBondContact O-N 3.11Å; Q689-I692 PolarHBondContact O-N 3.04Å; L690-I692 PolarHBondContact O-N 3.14Å; I692-H694 VanDerWaalsContact C-N 3.34Å; I692-H694 PolarHBondContact O-N 3.48Å; I692-T695 PolarHBondContact O-N 3.11Å; I692-T695 PolarHBondContact O-OG1 2.63Å; I692-T695 VanDerWaalsContact O-OG1 3.12Å; I692-S696 VanDerWaalsContact O-CB 3.29Å; I692-S696 WeakPolarHBondContact O-CB 3.49Å; I692-S696 PolarHBondContact O-N 2.99Å
693A77.7Confident78.3Confident52 Ų5286.9 Ų86.943%0.4349%0.488SS..Hα-helixtrans-63-40.717400000111.8Q689 L690 T697Q689-A693 PolarHBondContact O-N 2.74Å; L690-A693 PolarHBondContact O-N 2.94Å; A693-T697 WeakPolarHBondContact O-CB 3.43Å; A693-T697 PolarHBondContact O-N 2.97Å; A693-T697 PolarHBondContact O-OG1 3.34Å
694H79.7Confident77.9Confident131 Ų13186.2 Ų86.261%0.60649%0.489SS*.Hα-helixtrans-67-42.8175.5-78.9-62000113.2L690 A691 I692 T697 S698L690-H694 PolarHBondContact O-CD2 2.96Å; L690-H694 PolarHBondContact O-N 2.99Å; A691-H694 PolarHBondContact O-N 3.42Å; I692-H694 VanDerWaalsContact C-N 3.34Å; I692-H694 PolarHBondContact O-N 3.48Å; H694-T697 PolarHBondContact O-N 3.15Å; H694-S698 WeakPolarHBondContact O-CB 3.22Å; H694-S698 PolarHBondContact O-N 3.25Å
695T77Confident77.6Confident95 Ų9585.9 Ų85.958%0.58350%0.495SS*.Hα-helixtrans-68.6-38.6177.355.10000112A691 I692 S698 A699A691-T695 WeakPolarHBondContact O-CG2 3.45Å; A691-T695 PolarHBondContact O-N 2.77Å; A691-T695 PolarHBondContact O-OG1 2.84Å; I692-T695 PolarHBondContact O-N 3.11Å; I692-T695 PolarHBondContact O-OG1 2.63Å; I692-T695 VanDerWaalsContact O-OG1 3.12Å; T695-S698 PolarHBondContact O-N 3.02Å; T695-A699 WeakPolarHBondContact O-CB 3.41Å; T695-A699 PolarHBondContact O-N 2.89Å
696S77.2Confident77.3Confident79 Ų7981.2 Ų81.255%0.55249%0.489SS*.Hα-helixtrans-60.2-46.3172.1-173.80000111.9I692 S698 A699 A700I692-S696 VanDerWaalsContact O-CB 3.29Å; I692-S696 WeakPolarHBondContact O-CB 3.49Å; I692-S696 PolarHBondContact O-N 2.99Å; S696-S698 PolarHBondContact O-N 3.01Å; S696-A699 PolarHBondContact O-N 3.08Å; S696-A700 PolarHBondContact O-N 2.96Å
697T79.9Confident77Confident77 Ų7785 Ų8547%0.47251%0.505SS..Hα-helixtrans-62.3-40.8176.1-57.30000112A693 H694 A700 Q701A693-T697 WeakPolarHBondContact O-CB 3.43Å; A693-T697 PolarHBondContact O-N 2.97Å; A693-T697 PolarHBondContact O-OG1 3.34Å; H694-T697 PolarHBondContact O-N 3.15Å; T697-A700 PolarHBondContact O-N 3.09Å; T697-Q701 PolarHBondContact O-N 3.22Å
698S76.1Confident76.7Confident71 Ų7182.6 Ų82.650%0.49751%0.505SS..Hα-helixtrans-65.3-42.5176.3-174.30000112H694 T695 S696 A700 Q701 A702H694-S698 WeakPolarHBondContact O-CB 3.22Å; H694-S698 PolarHBondContact O-N 3.25Å; T695-S698 PolarHBondContact O-N 3.02Å; S696-S698 PolarHBondContact O-N 3.01Å; S698-A700 VanDerWaalsContact C-N 3.34Å; S698-A700 PolarHBondContact O-N 3.44Å; S698-Q701 PolarHBondContact O-N 3.19Å; S698-A702 WeakPolarHBondContact O-CB 3.35Å; S698-A702 PolarHBondContact O-N 3.16Å
699A74Confident76.4Confident55 Ų5586.4 Ų86.446%0.45551%0.513SS..Hα-helixtrans-63.7-37.1174.700000112.6T695 S696 A702 T703T695-A699 WeakPolarHBondContact O-CB 3.41Å; T695-A699 PolarHBondContact O-N 2.89Å; S696-A699 PolarHBondContact O-N 3.08Å; A699-A702 PolarHBondContact O-N 2.77Å; A699-T703 WeakPolarHBondContact O-CG2 3.46Å; A699-T703 PolarHBondContact O-N 2.92Å; A699-T703 PolarHBondContact O-OG1 3.15Å
700A78.3Confident75.9Confident47 Ų4784 Ų8439%0.38851%0.51SS..Hα-helixtrans-63.8-43.6171.800000111.9S696 T697 S698 T703 I704S696-A700 PolarHBondContact O-N 2.96Å; T697-A700 PolarHBondContact O-N 3.09Å; S698-A700 VanDerWaalsContact C-N 3.34Å; S698-A700 PolarHBondContact O-N 3.44Å; A700-T703 WeakPolarHBondContact CA-OG1 3.4Å; A700-T703 PolarHBondContact O-OG1 3Å; A700-I704 WeakPolarHBondContact O-CD1 3.35Å; A700-I704 VanDerWaalsContact O-CG1 3.24Å; A700-I704 WeakPolarHBondContact O-CG1 3.43Å; A700-I704 PolarHBondContact O-N 2.57Å
701Q74.9Confident75.4Confident119 Ų11985.2 Ų85.256%0.55652%0.524SS*.Hα-helixtrans-64.7-42.2174.7-73.5-177.3-19.600112.5T697 S698 T703 I704 M705T697-Q701 PolarHBondContact O-N 3.22Å; S698-Q701 PolarHBondContact O-N 3.19Å; Q701-T703 PolarHBondContact O-N 3.33Å; Q701-I704 PolarHBondContact O-N 3.18Å; Q701-M705 WeakPolarHBondContact O-CG 3.48Å; Q701-M705 PolarHBondContact O-N 3.02Å
702A74.7Confident74.9Confident54 Ų5485.7 Ų85.745%0.44653%0.528SS..Hα-helixtrans-64.2-40.2178.700000112.4S698 A699 M705 A706S698-A702 WeakPolarHBondContact O-CB 3.35Å; S698-A702 PolarHBondContact O-N 3.16Å; A699-A702 PolarHBondContact O-N 2.77Å; A702-M705 PolarHBondContact O-N 2.97Å; A702-A706 WeakPolarHBondContact O-CB 3.48Å; A702-A706 PolarHBondContact O-N 3.26Å
703T77.2Confident74.4Confident82 Ų8285 Ų8550%0.50352%0.522SS..Hα-helixtrans-68.9-37.5175.546.40000112.3A699 A700 Q701 A706 L707A699-T703 WeakPolarHBondContact O-CG2 3.46Å; A699-T703 PolarHBondContact O-N 2.92Å; A699-T703 PolarHBondContact O-OG1 3.15Å; A700-T703 WeakPolarHBondContact CA-OG1 3.4Å; A700-T703 PolarHBondContact O-OG1 3Å; Q701-T703 PolarHBondContact O-N 3.33Å; T703-A706 PolarHBondContact O-N 3.19Å; T703-L707 WeakPolarHBondContact O-CG 3.43Å; T703-L707 PolarHBondContact O-N 2.95Å
704I74Confident73.4Confident115 Ų11589.4 Ų89.459%0.5953%0.531SS*.Hα-helixtrans-61.1-44.9171-69.6165.2000111.1A700 Q701 L707 A708A700-I704 WeakPolarHBondContact O-CD1 3.35Å; A700-I704 VanDerWaalsContact O-CG1 3.24Å; A700-I704 WeakPolarHBondContact O-CG1 3.43Å; A700-I704 PolarHBondContact O-N 2.57Å; Q701-I704 PolarHBondContact O-N 3.18Å; I704-L707 PolarHBondContact O-N 3.45Å; I704-A708 PolarHBondContact O-N 3.49Å
705M75.2Confident72.5Confident138 Ų13887.4 Ų87.468%0.6853%0.528SS*.Hα-helixtrans-64.7-39.6175.7-72.6-169.3-176.500112.8Q701 A702 A708 K709Q701-M705 WeakPolarHBondContact O-CG 3.48Å; Q701-M705 PolarHBondContact O-N 3.02Å; A702-M705 PolarHBondContact O-N 2.97Å; M705-A708 PolarHBondContact O-N 3.33Å; M705-K709 PolarHBondContact O-N 2.88Å
706A74.1Confident71.5Confident59 Ų5987.5 Ų87.549%0.48853%0.525SS..Hα-helixtrans-63.8-4217700000112A702 T703 K709 A710A702-A706 WeakPolarHBondContact O-CB 3.48Å; A702-A706 PolarHBondContact O-N 3.26Å; T703-A706 PolarHBondContact O-N 3.19Å; A706-K709 PolarHBondContact O-N 3.23Å; A706-A710 WeakPolarHBondContact O-CB 3.4Å; A706-A710 PolarHBondContact O-N 3.02Å
707L76Confident70.2Confident126 Ų12690.6 Ų90.666%0.6653%0.533SS*.Hα-helixtrans-63.5-41.9173.9-73166.9000111.8T703 I704 A710 S711T703-L707 WeakPolarHBondContact O-CG 3.43Å; T703-L707 PolarHBondContact O-N 2.95Å; I704-L707 PolarHBondContact O-N 3.45Å; L707-A710 PolarHBondContact O-N 3.16Å; L707-S711 WeakPolarHBondContact O-CB 3.4Å; L707-S711 PolarHBondContact O-N 3.34Å
708A73.6Confident68.9Low63 Ų6393.7 Ų93.752%0.52154%0.541SS..Hα-helixtrans-62.6-40.8174.500000112.3I704 M705 S711 A712I704-A708 PolarHBondContact O-N 3.49Å; M705-A708 PolarHBondContact O-N 3.33Å; A708-S711 WeakPolarHBondContact O-CB 3.24Å; A708-S711 PolarHBondContact O-N 3.42Å; A708-A712 PolarHBondContact O-N 3.12Å; A708-A712 VanDerWaalsContact O-N 3.14Å
709K71.6Confident67.8Low127 Ų12799.3 Ų99.355%0.55255%0.552SS**Hα-helixtrans-66.9-45.9176.6-171.5172.2-175.3-83.10112.2M705 A706 S711 A712 E713M705-K709 PolarHBondContact O-N 2.88Å; A706-K709 PolarHBondContact O-N 3.23Å; K709-S711 VanDerWaalsContact C-N 3.26Å; K709-S711 PolarHBondContact O-N 3.26Å; K709-A712 PolarHBondContact O-N 2.9Å; K709-E713 WeakPolarHBondContact CE-OE1 3.5Å; K709-E713 IonicContact NZ-OE1 3.48Å; K709-E713 PolarHBondContact NZ-OE1 3.06Å; K709-E713 IonicContact NZ-OE2 3.55Å; K709-E713 PolarHBondContact O-N 3.02Å
710A72.6Confident66.4Low53 Ų53102.5 Ų102.544%0.43856%0.561SS.*Hα-helixtrans-61-36.1175.800000112A706 L707 A712 E713 K714A706-A710 WeakPolarHBondContact O-CB 3.4Å; A706-A710 PolarHBondContact O-N 3.02Å; L707-A710 PolarHBondContact O-N 3.16Å; A710-A712 VanDerWaalsContact C-N 3.35Å; A710-E713 PolarHBondContact O-N 3.11Å; A710-K714 PolarHBondContact O-N 3.28Å; A710-K714 VanDerWaalsContact O-N 3.13Å
711S67.6Low64.5Low81 Ų81109 Ų10957%0.56658%0.583SS**Hα-helixtrans-63.5-37.8172.9-170.10000112.7L707 A708 K709L707-S711 WeakPolarHBondContact O-CB 3.4Å; L707-S711 PolarHBondContact O-N 3.34Å; A708-S711 WeakPolarHBondContact O-CB 3.24Å; A708-S711 PolarHBondContact O-N 3.42Å; K709-S711 VanDerWaalsContact C-N 3.26Å; K709-S711 PolarHBondContact O-N 3.26Å
712A66.4Low62.9Low62 Ų62111.7 Ų111.751%0.51260%0.595SS.*Hα-helixtrans-73.7-40.1176.700000112.6A708 K709 A710 K714 V715 N716A708-A712 PolarHBondContact O-N 3.12Å; A708-A712 VanDerWaalsContact O-N 3.14Å; K709-A712 PolarHBondContact O-N 2.9Å; A710-A712 VanDerWaalsContact C-N 3.35Å; A712-K714 VanDerWaalsContact C-N 3.33Å; A712-K714 PolarHBondContact O-N 3.29Å; A712-V715 PolarHBondContact O-N 2.99Å; A712-N716 PolarHBondContact O-N 2.86Å
713E64Low60.9Low99 Ų99117.7 Ų117.746%0.46361%0.614SS.*Hα-helixtrans-65.4-35.1179.5-7417616800112.4K709 A710 V715 N716 M717K709-E713 WeakPolarHBondContact CE-OE1 3.5Å; K709-E713 IonicContact NZ-OE1 3.48Å; K709-E713 PolarHBondContact NZ-OE1 3.06Å; K709-E713 IonicContact NZ-OE2 3.55Å; K709-E713 PolarHBondContact O-N 3.02Å; A710-E713 PolarHBondContact O-N 3.11Å; E713-V715 VanDerWaalsContact C-N 3.35Å; E713-V715 PolarHBondContact O-N 3.47Å; E713-N716 PolarHBondContact O-N 2.91Å; E713-N716 VanDerWaalsContact O-N 3.12Å; E713-M717 PolarHBondContact O-N 3.25Å
714K58.1Low58.6Low145 Ų145121.8 Ų121.863%0.6363%0.628SS**Hα-helixtrans-60.6-41.6173.5-169.8179.8178-173.70112.5A710 A712 N716 M717 E718A710-K714 PolarHBondContact O-N 3.28Å; A710-K714 VanDerWaalsContact O-N 3.13Å; A712-K714 VanDerWaalsContact C-N 3.33Å; A712-K714 PolarHBondContact O-N 3.29Å; K714-N716 PolarHBondContact O-N 2.97Å; K714-M717 PolarHBondContact O-N 3.07Å; K714-E718 PolarHBondContact O-N 2.75Å
715V61Low56.4Low89 Ų89122.9 Ų122.954%0.53964%0.635SS.*Hα-helixtrans-66.3-28.8176.2176.20000111.7A712 E713A712-V715 PolarHBondContact O-N 2.99Å; E713-V715 VanDerWaalsContact C-N 3.35Å; E713-V715 PolarHBondContact O-N 3.47Å
716N55.3Low54.3Low96 Ų96122 Ų12251%0.51364%0.637SS.*Hα-helixtrans-81.5-33.6180-142.225.7000112.6A712 E713 K714 E718 R719 L720A712-N716 PolarHBondContact O-N 2.86Å; E713-N716 PolarHBondContact O-N 2.91Å; E713-N716 VanDerWaalsContact O-N 3.12Å; K714-N716 PolarHBondContact O-N 2.97Å; N716-E718 VanDerWaalsContact C-N 3.34Å; N716-E718 PolarHBondContact O-N 3.26Å; N716-R719 PolarHBondContact O-N 2.95Å; N716-L720 PolarHBondContact O-N 2.86Å
717M50Low52Low145 Ų145125.7 Ų125.771%0.71465%0.648SS**Hα-helixtrans-56.7-43.9171.4-83.7-92.3-73.900112.3E713 K714 R719 L720E713-M717 PolarHBondContact O-N 3.25Å; K714-M717 PolarHBondContact O-N 3.07Å; M717-R719 PolarHBondContact O-N 2.83Å; M717-L720 PolarHBondContact O-N 2.79Å
718E51.7Low49.6Very low141 Ų141126.8 Ų126.866%0.65965%0.654SS**Hα-helixtrans-63.8-20.7179.2-70.6178.917300113.4K714 N716K714-E718 PolarHBondContact O-N 2.75Å; N716-E718 VanDerWaalsContact C-N 3.34Å; N716-E718 PolarHBondContact O-N 3.26Å
719R53.7Low47.2Very low190 Ų190128.2 Ų128.272%0.71766%0.659SS**Hα-helixtrans-84.4-31.4174.9-71.9-174.6168.3-163.8-4113.9N716 M717 Q721N716-R719 PolarHBondContact O-N 2.95Å; M717-R719 PolarHBondContact O-N 2.83Å; R719-Q721 VanDerWaalsContact C-N 3.3Å; R719-Q721 PolarHBondContact O-N 3.46Å
720L44.3Very low45Very low122 Ų122129.5 Ų129.564%0.63967%0.672SS**Hα-helixtrans-75.3-17.4-172.5-76.9166.1000113.6N716 M717 Q722N716-L720 PolarHBondContact O-N 2.86Å; M717-L720 PolarHBondContact O-N 2.79Å; L720-Q722 PolarHBondContact O-N 2.97Å; L720-Q722 VanDerWaalsContact O-N 3.12Å
721Q38.5Very low42.7Very low184 Ų184135.7 Ų135.786%0.8669%0.692SS**THydrogen-bonded Turntrans-74.65.3177.7-162.1148.923.100114.5R719R719-Q721 VanDerWaalsContact C-N 3.3Å; R719-Q721 PolarHBondContact O-N 3.46Å
722Q40.6Very low40.6Very low174 Ų174138.6 Ų138.681%0.81370%0.701SS**THydrogen-bonded Turntrans-115.62.9179.3-68.1-170.3-700115.4L720L720-Q722 PolarHBondContact O-N 2.97Å; L720-Q722 VanDerWaalsContact O-N 3.12Å
723Q32.7Very low38.6Very low180 Ų180140.9 Ų140.984%0.84171%0.713SS**  trans-122.983.3176.9-71.8-166.9-2600112.5
724H29.4Very low36.7Very low169 Ų169142.6 Ų142.678%0.78273%0.73SS**  trans-103.2114.8171.1-169.2-71.6000108.9
725N28.3Very low35.8Very low138 Ų138141 Ų14174%0.73874%0.736SS**  trans172.8157.7144.3-88.6-9.9000114.4
726T30.2Very low34.6Very low120 Ų120143 Ų14374%0.73675%0.75SS**  trans61.287.5164.752.70000119.7
727D25.7Very low33.3Very low135 Ų135143.8 Ų143.872%0.72276%0.764SS**  75.1114.4110.5-61.8-32.1000124.2
728I25.6Very low32.3Very low150 Ų150142.7 Ų142.777%0.76977%0.77SS**  86.4112.7124.4-64.5172.3000120.6
729S23.8Very low31.1Very low92 Ų92142.2 Ų142.264%0.64378%0.777SS**  trans74105.2141.1-165.50000122.6
730L25.9Very low29.8Very low154 Ų154139.1 Ų139.181%0.80678%0.778SS**  31.6118.9121.8-52.8162.6000119.1
731Q23.5Very low28.9Very low184 Ų184140.1 Ų140.186%0.8678%0.78SS**  -177.6122.999.3-99.5-179.7-19.400115.4
732N25.1Very low28.3Very low141 Ų141138.6 Ų138.675%0.75477%0.77SS**  trans12.4126.9139.5-65.81.1000122.3
733S23.5Very low27.7Very low110 Ų110141 Ų14177%0.76977%0.774SS**  95.5139.3115.773.90000123.7
734V24.1Very low27.4Very low136 Ų136141.7 Ų141.782%0.82478%0.777SS**  trans82.5142.4146.2167.40000120.5
735C38.7Very low27.4Very low112 Ų112139.8 Ų139.876%0.75778%0.778SS**  trans-53.5166.9-175.8-43.70000116.4
736P36.9Very low27.3Very low129 Ų129141.1 Ų141.184%0.83878%0.779SS**  -142.5174.3105.939.6-27.4000116.1
737S27.5Very low27.4Very low114 Ų114144.7 Ų144.780%0.79779%0.788SS**  trans-77.8165.2-175.8-40.40000115.6
738S29.1Very low27.8Very low122 Ų122142.3 Ų142.385%0.85378%0.782SS**  trans-147.7166.615060.80000110.9
739V27.4Very low28.5Very low131 Ų131138.1 Ų138.179%0.79477%0.765SS**  trans-147.1164.2-163.9-172.50000109.7
740V24.4Very low29.3Very low124 Ų124138.9 Ų138.975%0.75277%0.768SS**  trans121.1110.9151.6178.70000117.4
741E25.9Very low30.1Very low143 Ų143137.5 Ų137.567%0.66876%0.76SS**  trans56.6138.6145-72.7-157.1126.500127.2
742K26.1Very low31Very low152 Ų152133 Ų13366%0.66174%0.742SS**  trans83.592.5139.1-79.4164.7-178.7142.10121.5
743Y29.2Very low31.9Very low225 Ų225133.3 Ų133.388%0.88274%0.737SS**  trans23.6117.3137-56.5-78.4000120.2
744E25.8Very low32.8Very low194 Ų194133.5 Ų133.591%0.90773%0.728SS**  -147.5163.2128-133.2171.8-14200111.5
745T27.9Very low33.8Very low130 Ų130130.5 Ų130.580%0.79871%0.713SS**  trans-47.6133.8-158.9-34.20000118
746E27.3Very low34Very low166 Ų166133.9 Ų133.978%0.77671%0.71SS**  trans-72.3130.1169.3-62.7-174.5126.700112.7
747Q32.5Very low34.4Very low195 Ų195133.5 Ų133.591%0.91170%0.7SS**  trans-131.667.4154.9-70.7-168.76.900108.9
748S34.4Very low34.9Very low85 Ų85133.9 Ų133.959%0.59469%0.692SS**  trans-79.8149.5-179.445.50000112.2
749S38.7Very low35.2Very low61 Ų61133 Ų13343%0.42768%0.682SS.*  trans-85.1157.4-164.181.30000113.7I751 D752S749-I751 PolarHBondContact O-N 2.71Å; S749-D752 PolarHBondContact O-N 3.43Å
750P41.7Very low35.3Very low108 Ų108133.4 Ų133.470%0.70168%0.679SS**Hα-helixtrans-60-12.6-178.7-26.535.9000116.4
751I43Very low35.7Very low125 Ų125133.1 Ų133.164%0.64168%0.678SS**Hα-helixtrans-69.7-42-179.7-61.3176.8000110.7S749 F753 I754 S755S749-I751 PolarHBondContact O-N 2.71Å; I751-F753 PolarHBondContact O-N 3.44Å; I751-I754 PolarHBondContact O-N 3.26Å; I751-S755 PolarHBondContact O-N 2.92Å
752D42.9Very low35.8Very low91 Ų91136.7 Ų136.749%0.48769%0.686SS.*Hα-helixtrans-66-27.5180-66.3-53.3000112.7S749 R756S749-D752 PolarHBondContact O-N 3.43Å; D752-R756 WeakPolarHBondContact O-CB 3.43Å; D752-R756 PolarHBondContact O-N 3.4Å
753F43.6Very low35.8Very low147 Ų147136.8 Ų136.865%0.64569%0.692SS**Hα-helixtrans-67.3-37177.4-164.5-93.8000112I751 L757I751-F753 PolarHBondContact O-N 3.44Å; F753-L757 HydrophobicContact CD1-CD1 4.2Å; F753-L757 HydrophobicContact CE1-CD1 3.76Å; F753-L757 HydrophobicContact CZ-CD1 4.21Å; F753-L757 PolarHBondContact O-N 2.81Å
754I42.4Very low35.6Very low114 Ų114132.8 Ų132.859%0.58568%0.681SS**Hα-helixtrans-72.1-42.2178.1-62.7176.7000110.5I751 R756 L757I751-I754 PolarHBondContact O-N 3.26Å; I754-R756 PolarHBondContact O-N 3.03Å; I754-L757 PolarHBondContact O-N 2.92Å
755S44.7Very low35.5Very low72 Ų72128.9 Ų128.950%0.50368%0.675SS.*Hα-helixtrans-63.4-40.1174.8-71.30000112.6I751 L757 I758 T759I751-S755 PolarHBondContact O-N 2.92Å; S755-L757 VanDerWaalsContact C-N 3.26Å; S755-L757 PolarHBondContact O-N 3.2Å; S755-I758 PolarHBondContact O-N 2.84Å; S755-T759 PolarHBondContact O-N 3.36Å; S755-T759 PolarHBondContact O-OG1 2.89Å
756R42.4Very low35.4Very low184 Ų184131.1 Ų131.169%0.69468%0.676SS**Hα-helixtrans-64.2-26.2174.2-89.4-178.6164.4153.3-3.6114D752 I754 I758D752-R756 WeakPolarHBondContact O-CB 3.43Å; D752-R756 PolarHBondContact O-N 3.4Å; I754-R756 PolarHBondContact O-N 3.03Å; R756-I758 VanDerWaalsContact C-N 3.34Å
757L45.2Very low35.3Very low120 Ų120127.6 Ų127.663%0.62868%0.676SS**Hα-helixtrans-73.5-22.8176.7-119.781.8000113.9F753 I754 S755F753-L757 HydrophobicContact CD1-CD1 4.2Å; F753-L757 HydrophobicContact CE1-CD1 3.76Å; F753-L757 HydrophobicContact CZ-CD1 4.21Å; F753-L757 PolarHBondContact O-N 2.81Å; I754-L757 PolarHBondContact O-N 2.92Å; S755-L757 VanDerWaalsContact C-N 3.26Å; S755-L757 PolarHBondContact O-N 3.2Å
758I37.9Very low35Very low122 Ų122124.6 Ų124.663%0.62667%0.666SS**Hα-helixtrans-97.1-33.2-173-65.2176000112.3S755 R756S755-I758 PolarHBondContact O-N 2.84Å; R756-I758 VanDerWaalsContact C-N 3.34Å
759T36.9Very low34.8Very low105 Ų105126.7 Ų126.764%0.64467%0.671SS**Hα-helixtrans-83.6-19.6-175-39.20000114.1S755 T761S755-T759 PolarHBondContact O-N 3.36Å; S755-T759 PolarHBondContact O-OG1 2.89Å; T759-T761 VanDerWaalsContact C-N 3.28Å; T759-T761 PolarHBondContact O-N 3.31Å
760N29.4Very low34.4Very low138 Ų138131.9 Ų131.974%0.73869%0.693SS**THydrogen-bonded Turntrans-83.710.4-176.8-85.51.6000115.2
761T31.6Very low33.6Very low119 Ų119131.4 Ų131.473%0.7369%0.693SS**THydrogen-bonded Turntrans-106.834.3170.956.30000112.7T759T759-T761 VanDerWaalsContact C-N 3.28Å; T759-T761 PolarHBondContact O-N 3.31Å
762W29.1Very low32.7Very low217 Ų217131.7 Ų131.782%0.82270%0.696SS**  trans-148.483.3178-142.774.3000113.8
763I25.1Very low31.8Very low154 Ų154135.3 Ų135.379%0.7971%0.71SS**  trans-129.8108.7166.6-64.2-175.1000110
764H26.2Very low31.2Very low142 Ų142133.2 Ų133.266%0.65771%0.711SS**  trans36.1101.9156.5-65.5-58.4000121.1
765S22.7Very low30.3Very low111 Ų111134 Ų13478%0.77672%0.715SS**  -61.7139.1118.9169.30000110.3
766Q25.7Very low29.3Very low177 Ų177138.8 Ų138.883%0.82773%0.729SS**  trans-121.5153.5156.3-90.4-167.90.100108.3
767A26.4Very low28.5Very low93 Ų93139.3 Ų139.377%0.76974%0.742SS**  trans-125.3176-161.600000113.7
768N24.8Very low27.5Very low132 Ų132140 Ų14071%0.70675%0.747SS**  trans99.887.9143.7-153.174000118.7
769N31.3Very low27.1Very low129 Ų129141.5 Ų141.569%0.6976%0.755SS**  trans60.8106.7130.5-53.6-0.2000120.1
770N29.1Very low26.6Very low169 Ų169143.7 Ų143.790%0.90476%0.762SS**  -168.7150.7117.8-102-33.3000113.9
771S24.6Very low26.6Very low99 Ų99140.6 Ų140.669%0.69276%0.764SS**  trans67142171.4-115.60000120.6
772D24.4Very low26.5Very low131 Ų131142.6 Ų142.670%0.70177%0.765SS**  trans58.782.1151.5-50.91.4000116.4
773Q24.3Very low26.3Very low167 Ų167137.4 Ų137.478%0.7875%0.753SS**  77.7154.381-78-163.928.300114.6
774P31.1Very low26.4Very low103 Ų103134.9 Ų134.967%0.66974%0.741SS**  cis-122.1148.5-1.112.812.3000115.8
775I22.7Very low26.4Very low131 Ų131134.3 Ų134.367%0.67274%0.742SS**  55.6127.9120.2-52.5168.1000120.3
776E24.7Very low26.5Very low172 Ų172135.5 Ų135.580%0.80474%0.739SS**  trans-4.5137148.7-50.4167123.300118.9
777M25Very low26.4Very low194 Ų194135.2 Ų135.296%0.95674%0.737SS**  -153.6155.8116.2-114.4-178.2-62.100112.5
778N25.5Very low26.2Very low136 Ų136135.4 Ų135.473%0.72773%0.733SS**  trans-109.4129.9-175.7163.344.1000109.7
779L29.4Very low26.2Very low152 Ų152136 Ų13680%0.79674%0.735SS**  trans179.3156.5138.1-100158.8000112.2
780D26Very low26.1Very low151 Ų151135.4 Ų135.481%0.80774%0.738SS**  trans-72.5155.4-174.6-51.4-87.3000114.2
781G29.5Very low25.8Very low74 Ų74133 Ų13376%0.76373%0.725SS**  trans-156.240-174.400000114.5L783G781-L783 PolarHBondContact O-N 3.5Å
782E28Very low25.8Very low161 Ų161132.4 Ų132.475%0.75272%0.718SS**  trans-67.686173.1-72.8-165.6170.200112.2N784E782-N784 PolarHBondContact O-N 2.82Å; E782-N784 PolarHBondContact OE2-ND2 2.8Å
783L25.1Very low25.7Very low108 Ų108132.2 Ų132.257%0.56572%0.717SS**  trans-82.977.7151.3-82.6176.2000109.3G781 F1050G781-L783 PolarHBondContact O-N 3.5Å; L783-F1050 HydrophobicContact CD1-CB 3.71Å; L783-F1050 HydrophobicContact CD1-CD1 3.57Å; L783-F1050 HydrophobicContact CD1-CD2 4.12Å; L783-F1050 HydrophobicContact CD1-CE1 4.24Å; L783-F1050 HydrophobicContact CD1-CG 3.52Å
784N26.9Very low25.8Very low101 Ų101130.1 Ų130.154%0.5471%0.711SS.*  trans-56.5141.5168.9-82.3-63.7000111.7E782E782-N784 PolarHBondContact O-N 2.82Å; E782-N784 PolarHBondContact OE2-ND2 2.8Å
785N27.5Very low25.5Very low129 Ų129129.9 Ų129.969%0.6970%0.704SS**  trans66.6118.9164.2-56.2-40.2000117.2
786I23.8Very low25.6Very low137 Ų137128.9 Ų128.970%0.70370%0.7SS**  cis78.4142.543.1-56.7164.9000112.3
787Q24.3Very low25.6Very low170 Ų170126.3 Ų126.379%0.79469%0.692SS**  trans71.291.5178.9-77.4148.17.500113.9
788S22.1Very low25.6Very low97 Ų97123.2 Ų123.268%0.67868%0.679SS**  79.9132.775.273.30000111.5
789L25.8Very low25.7Very low145 Ų145123.1 Ų123.176%0.75968%0.679SS**  33.6132.389.7-81.387.1000113.6
790P28.8Very low25.4Very low116 Ų116122 Ų12275%0.75367%0.674SS**  cis-106.6150.320.942.8-35.7000111.4
791N22.9Very low25.5Very low118 Ų118121.6 Ų121.663%0.63167%0.672SS**  60.4137.852.7-15245.7000111.9
792T24Very low25.3Very low87 Ų87126.1 Ų126.153%0.53468%0.675SS.*  trans24.3118.4152.4620000117.8
793N22Very low25.2Very low128 Ų128124.6 Ų124.668%0.68467%0.671SS**  -143.2143.758-69.2-53.2000110.6
794N25.8Very low25.3Very low122 Ų122125 Ų12565%0.65268%0.678SS**  cis62.4161.742.6-159.340.5000112.1
795D25.3Very low25.2Very low98 Ų98126.3 Ų126.352%0.52468%0.684SS.*  trans61.9126.8166.5-51.8-59.8000118.4
796N25.9Very low25Very low110 Ų110129.6 Ų129.659%0.58869%0.688SS**  cis-165.1145.9-13.3-115.4-21.2000110.6
797N24.1Very low25.2Very low119 Ų119130 Ų13064%0.63669%0.687SS**  trans44.2166.1131-55.7-19000122.5
798N24.9Very low25.3Very low128 Ų128127.5 Ų127.568%0.68469%0.688SS**  trans70.7119.4148.5-64.3-17.3000116.7
799N26.8Very low25.7Very low135 Ų135128.1 Ų128.172%0.72268%0.684SS**  cis-144.9148.510.8-71.6-59.2000109.3
800N25Very low26.1Very low128 Ų128129.6 Ų129.668%0.68469%0.687SS**  60.288.660.2-78.4-8.4000115
801N27.2Very low26.3Very low143 Ų143131 Ų13177%0.76569%0.687SS**  158.9166.2112.8-78.1-27.2000114
802M25.5Very low26.7Very low168 Ų168131.1 Ų131.183%0.82868%0.684SS**  trans78.8116.5-170.4-55.2-64.5-7500113.7
803I26.1Very low27.4Very low130 Ų130132.2 Ų132.267%0.66768%0.683SS**  cis66.3108.69.4-52.3175.2000110.9
804T26.2Very low27.9Very low117 Ų117132.9 Ų132.972%0.71868%0.684SS**  cis-161.7165.736.7-9.20000115
805L24.5Very low28.1Very low127 Ų127134.1 Ų134.167%0.66569%0.69SS**  trans86.3138.3141.6-82.2167.6000123.6
806Y24.3Very low28.7Very low199 Ų199134.3 Ų134.378%0.7869%0.694SS**  trans68.1137164.2-64.2-59.2000118.5
807Q28.8Very low28.8Very low146 Ų146137.7 Ų137.768%0.68270%0.699SS**  cis-153.1132-4.1175.6173.1-4.400111.3N809Q807-N809 PolarHBondContact NE2-ND2 3.45Å
808S25.8Very low28.9Very low117 Ų117139 Ų13982%0.81870%0.701SS**  trans-89.5135.9171.9-51.80000111.1
809N30.9Very low29Very low109 Ų109141 Ų14158%0.58371%0.712SS**  trans-153-32.4169.7-108-14.7000115Q807 L811 Q812Q807-N809 PolarHBondContact NE2-ND2 3.45Å; N809-L811 VanDerWaalsContact C-N 3.34Å; N809-L811 PolarHBondContact O-N 3.02Å; N809-Q812 PolarHBondContact O-N 3.4Å; N809-Q812 VanDerWaalsContact O-N 3.14Å
810E34.2Very low29Very low177 Ų177140 Ų14083%0.82771%0.706SS**Hα-helixtrans-68.4-26.2-170.1-63-175.8135.600114.8Q812E810-Q812 VanDerWaalsContact C-N 3.34Å
811L31.1Very low29.1Very low144 Ų144141.9 Ų141.975%0.75471%0.713SS**Hα-helixtrans-77.9-13.4175.5-84.5165.5000114.2N809 M814N809-L811 VanDerWaalsContact C-N 3.34Å; N809-L811 PolarHBondContact O-N 3.02Å; L811-M814 HydrophobicContact CD2-CE 4.17Å
812Q31.7Very low29.2Very low122 Ų122140.9 Ų140.957%0.5771%0.707SS**Hα-helixtrans-84.2-37.5178.7-169.963.350.300112.1N809 E810 M814 L815 T816N809-Q812 PolarHBondContact O-N 3.4Å; N809-Q812 VanDerWaalsContact O-N 3.14Å; E810-Q812 VanDerWaalsContact C-N 3.34Å; Q812-M814 VanDerWaalsContact C-N 3.31Å; Q812-M814 PolarHBondContact O-N 2.6Å; Q812-L815 PolarHBondContact O-N 3.1Å; Q812-T816 PolarHBondContact O-N 2.92Å; Q812-T816 PolarHBondContact O-OG1 2.84Å
813E39.1Very low29.2Very low110 Ų110141.1 Ų141.151%0.51470%0.704SS.*Hα-helixtrans-68.3-33.7178.6-163.7-179.5164.100111.6L815 T816 R817E813-L815 PolarHBondContact O-N 3.04Å; E813-T816 PolarHBondContact O-N 3.26Å; E813-R817 IonicContact OE1-CZ 3.82Å; E813-R817 IonicContact OE1-NE 3.1Å; E813-R817 PolarHBondContact OE1-NE 3.15Å; E813-R817 IonicContact OE1-NH2 2.6Å; E813-R817 PolarHBondContact OE1-NH2 3.2Å
814M31.7Very low29.3Very low141 Ų141141 Ų14170%0.69570%0.704SS**Hα-helixtrans-63.3-22.3175.4-154.3-170.8-53.900113.2L811 Q812L811-M814 HydrophobicContact CD2-CE 4.17Å; Q812-M814 VanDerWaalsContact C-N 3.31Å; Q812-M814 PolarHBondContact O-N 2.6Å
815L30.1Very low29.2Very low149 Ų149141.9 Ų141.978%0.7871%0.705SS**Hα-helixtrans-102.8-8-177.9-133.976.2000114.5Q812 E813Q812-L815 PolarHBondContact O-N 3.1Å; E813-L815 PolarHBondContact O-N 3.04Å
816T38.1Very low29.8Very low101 Ų101140.2 Ų140.262%0.6270%0.702SS**Hα-helixtrans-105.2-3.1177.932.40000114.3Q812 E813 Q818Q812-T816 PolarHBondContact O-N 2.92Å; Q812-T816 PolarHBondContact O-OG1 2.84Å; E813-T816 PolarHBondContact O-N 3.26Å; T816-Q818 PolarHBondContact O-N 2.91Å
817R28.5Very low30.1Very low182 Ų182135.6 Ų135.669%0.68770%0.698SS**SBendtrans-88.991.9164.3-63.9-168.1-171.4-157.46.1110.8E813E813-R817 IonicContact OE1-CZ 3.82Å; E813-R817 IonicContact OE1-NE 3.1Å; E813-R817 PolarHBondContact OE1-NE 3.15Å; E813-R817 IonicContact OE1-NH2 2.6Å; E813-R817 PolarHBondContact OE1-NH2 3.2Å
818Q25.8Very low29.9Very low146 Ų146135.3 Ų135.368%0.68270%0.701SS**  trans22.7122143.6-70.9176.1-14.500117.1T816 L820T816-Q818 PolarHBondContact O-N 2.91Å; Q818-L820 VanDerWaalsContact C-N 3.31Å; Q818-L820 HydrophobicContact CB-CB 3.79Å; Q818-L820 HydrophobicContact CG-CB 3.96Å
819N26.8Very low29.9Very low171 Ų171138.1 Ų138.191%0.91470%0.701SS**  cis51.140.124.6-145.47.7000113.7
820L27.6Very low29.6Very low113 Ų113139.4 Ų139.459%0.59271%0.707SS**  trans-161.777.3169.7-150.277.5000114.1Q818Q818-L820 VanDerWaalsContact C-N 3.31Å; Q818-L820 HydrophobicContact CB-CB 3.79Å; Q818-L820 HydrophobicContact CG-CB 3.96Å
821M26.9Very low29.3Very low167 Ų167136.6 Ų136.682%0.82370%0.698SS**  trans-172.690162.8-83.4-55.8179.300106.4F823M821-F823 HydrophobicContact SD-CD2 4.32Å; M821-F823 HydrophobicContact SD-CE2 3.77Å
822N28.5Very low29.3Very low122 Ų122139.3 Ų139.365%0.65271%0.707SS**  cis72.948.119.3-14048.8000117.3
823F27Very low29.1Very low174 Ų174139.8 Ų139.876%0.76371%0.713SS**  trans-122.1115.6142.2-69.3-83.4000105.9M821M821-F823 HydrophobicContact SD-CD2 4.32Å; M821-F823 HydrophobicContact SD-CE2 3.77Å
824N27.5Very low28.8Very low126 Ų126140.7 Ų140.767%0.67473%0.726SS**  46.886.260.4-75.1-8.4000112.5P826N824-P826 WeakPolarHBondContact O-CD 3.27Å
825D24.5Very low28.8Very low136 Ų136140.7 Ų140.773%0.72773%0.734SS**  trans-100.593.2146.6-171-31.3000107.5S827D825-S827 PolarHBondContact O-N 2.95Å; D825-S827 VanDerWaalsContact O-N 3.14Å; D825-S827 WeakPolarHBondContact OD1-CB 3.4Å; D825-S827 PolarHBondContact OD1-N 3.26Å; D825-S827 PolarHBondContact OD1-OG 3.45Å
826P37.6Very low29Very low92 Ų92140.8 Ų140.860%0.59774%0.735SS**  trans-88.248.3-175.637.5-36.2000111.6N824 L828N824-P826 WeakPolarHBondContact O-CD 3.27Å; P826-L828 HydrophobicContact CB-CD1 4.33Å; P826-L828 PolarHBondContact O-N 3.47Å
827S29.4Very low28.7Very low102 Ų102145.3 Ų145.371%0.71375%0.749SS**  trans-73.95916639.90000111.1D825D825-S827 PolarHBondContact O-N 2.95Å; D825-S827 VanDerWaalsContact O-N 3.14Å; D825-S827 WeakPolarHBondContact OD1-CB 3.4Å; D825-S827 PolarHBondContact OD1-N 3.26Å; D825-S827 PolarHBondContact OD1-OG 3.45Å
828L24.3Very low28.8Very low141 Ų141143.9 Ų143.974%0.73875%0.754SS**  trans-66.9174.5178.7-71.9161.2000112.9P826P826-L828 HydrophobicContact CB-CD1 4.33Å; P826-L828 PolarHBondContact O-N 3.47Å
829Q27.2Very low29.5Very low176 Ų176139.6 Ų139.682%0.82274%0.741SS**  trans96.1130.8167.4-57.7-176.616.200115
830L24.7Very low30.2Very low136 Ų136138.2 Ų138.271%0.71273%0.733SS**  cis-136152.46.3-80.8102.2000114.3
831N27.4Very low31.2Very low118 Ų118137.7 Ų137.763%0.63173%0.73SS**  trans41.5123.5140.7-53.212.5000121.5
832H32Very low32Very low201 Ų201133.9 Ų133.993%0.93171%0.713SS**  -145.9126126.2-115.1-78.5000109.9
833D27.3Very low32.8Very low132 Ų132131.6 Ų131.671%0.70670%0.704SS**  trans-95.8152.6-170-74.8-64.5000114.2
834T31.5Very low33.7Very low128 Ų128129.7 Ų129.779%0.78570%0.695SS**  trans61.985.4156.3-45.50000118.2
835V33.2Very low34.6Very low142 Ų142127.6 Ų127.686%0.86168%0.684SS**SBendtrans-126.3143.4136.3179.10000108.2
836N34.3Very low35.4Very low150 Ų150129.2 Ų129.280%0.80269%0.685SS**  trans-42.2137.8-164.9-63.7-33.2000116.9L838N836-L838 PolarHBondContact O-N 3.37Å
837Q30.4Very low35.6Very low196 Ų196131.4 Ų131.492%0.91669%0.689SS**  trans-70.2104.9-179.1-61.9170.26.200111.7
838L31.3Very low36.1Very low152 Ų152133.1 Ų133.180%0.79668%0.683SS**  trans-68.2130148.2-80.8166.9000107.7N836 L840N836-L838 PolarHBondContact O-N 3.37Å; L838-L840 PolarHBondContact O-N 3.39Å
839S39.5Very low36.6Very low57 Ų57134.6 Ų134.640%0.39969%0.688SS.*  trans-64.8134.6-173.8-172.80000110.5N841 D842 V843S839-N841 PolarHBondContact O-N 3.07Å; S839-N841 VanDerWaalsContact O-N 3.07Å; S839-N841 WeakPolarHBondContact OG-CB 3.4Å; S839-N841 PolarHBondContact OG-N 3.15Å; S839-D842 VanDerWaalsContact CB-OD2 3.23Å; S839-D842 WeakPolarHBondContact CB-OD2 3.49Å; S839-D842 PolarHBondContact O-N 2.82Å; S839-V843 PolarHBondContact O-N 3.15Å
840L41.2Very low37.2Very low142 Ų142135.4 Ų135.474%0.74369%0.689SS**Hα-helixtrans-57.4-24.4170.8-113.2171.5000111.6L838 F844L838-L840 PolarHBondContact O-N 3.39Å; L840-F844 VanDerWaalsContact O-CB 3.32Å; L840-F844 WeakPolarHBondContact O-CB 3.45Å; L840-F844 PolarHBondContact O-N 2.95Å
841N49.4Very low37.3Very low102 Ų102136.5 Ų136.555%0.54569%0.691SS.*Hα-helixtrans-68.9-32.5174.7-156.664.5000112.6S839 F844 N845S839-N841 PolarHBondContact O-N 3.07Å; S839-N841 VanDerWaalsContact O-N 3.07Å; S839-N841 WeakPolarHBondContact OG-CB 3.4Å; S839-N841 PolarHBondContact OG-N 3.15Å; N841-F844 PolarHBondContact O-N 2.89Å; N841-N845 WeakPolarHBondContact O-CB 3.3Å; N841-N845 PolarHBondContact O-N 3.02Å; N841-N845 PolarHBondContact O-ND2 2.87Å; N841-N845 VanDerWaalsContact O-ND2 3.14Å
842D43.3Very low37.3Very low87 Ų87138.8 Ų138.847%0.46570%0.702SS.*Hα-helixtrans-75.7-39.9177.9-57.7-34.3000110.7S839 F844 N845 F846S839-D842 VanDerWaalsContact CB-OD2 3.23Å; S839-D842 WeakPolarHBondContact CB-OD2 3.49Å; S839-D842 PolarHBondContact O-N 2.82Å; D842-F844 VanDerWaalsContact C-N 3.3Å; D842-F844 PolarHBondContact O-N 3.47Å; D842-N845 PolarHBondContact O-N 3.39Å; D842-F846 WeakPolarHBondContact O-CB 3.48Å; D842-F846 PolarHBondContact O-N 3.12Å
843V45.4Very low37.7Very low74 Ų74134.2 Ų134.245%0.44869%0.69SS.*Hα-helixtrans-60.9-40.8169.1-178.30000110.8S839 F846 M847S839-V843 PolarHBondContact O-N 3.15Å; V843-F846 PolarHBondContact O-N 3.37Å; V843-M847 WeakPolarHBondContact O-CB 3.33Å; V843-M847 PolarHBondContact O-N 3.38Å
844F46.4Very low37.7Very low134 Ų134135.4 Ų135.459%0.58870%0.697SS**Hα-helixtrans-66.5-39.5176.6-152.6-91.3000112L840 N841 D842 K848L840-F844 VanDerWaalsContact O-CB 3.32Å; L840-F844 WeakPolarHBondContact O-CB 3.45Å; L840-F844 PolarHBondContact O-N 2.95Å; N841-F844 PolarHBondContact O-N 2.89Å; D842-F844 VanDerWaalsContact C-N 3.3Å; D842-F844 PolarHBondContact O-N 3.47Å; F844-K848 WeakPolarHBondContact O-CB 3.49Å; F844-K848 PolarHBondContact O-N 3.19Å
845N46.2Very low37.6Very low81 Ų81133.7 Ų133.743%0.43370%0.696SS.*Hα-helixtrans-63.5-45.9173.6-73.9-31.5000111.7N841 D842 M847 K848 M849N841-N845 WeakPolarHBondContact O-CB 3.3Å; N841-N845 PolarHBondContact O-N 3.02Å; N841-N845 PolarHBondContact O-ND2 2.87Å; N841-N845 VanDerWaalsContact O-ND2 3.14Å; D842-N845 PolarHBondContact O-N 3.39Å; N845-M847 VanDerWaalsContact C-N 3.35Å; N845-M847 PolarHBondContact O-N 3.32Å; N845-K848 PolarHBondContact O-N 3.25Å; N845-M849 PolarHBondContact O-N 2.82Å
846F42.1Very low37.2Very low170 Ų170132.3 Ų132.375%0.74669%0.687SS**Hα-helixtrans-64.8-38.2179.1-148.2-86.2000112.1D842 V843D842-F846 WeakPolarHBondContact O-CB 3.48Å; D842-F846 PolarHBondContact O-N 3.12Å; V843-F846 PolarHBondContact O-N 3.37Å
847M40.5Very low37Very low138 Ų138130.6 Ų130.668%0.6869%0.688SS**Hα-helixtrans-71.9-35.5175.1-162.6173.5-64.900112.1V843 N845 M849 K850V843-M847 WeakPolarHBondContact O-CB 3.33Å; V843-M847 PolarHBondContact O-N 3.38Å; N845-M847 VanDerWaalsContact C-N 3.35Å; N845-M847 PolarHBondContact O-N 3.32Å; M847-M849 VanDerWaalsContact C-N 3.31Å; M847-M849 PolarHBondContact O-N 2.86Å; M847-K850 PolarHBondContact O-N 2.81Å
848K41Very low36.8Very low138 Ų138130 Ų13060%0.669%0.685SS**Hα-helixtrans-67.2-28.4176.5-167.6172.8-174.7-179.90112.9F844 N845 K850 Q851F844-K848 WeakPolarHBondContact O-CB 3.49Å; F844-K848 PolarHBondContact O-N 3.19Å; N845-K848 PolarHBondContact O-N 3.25Å; K848-K850 PolarHBondContact O-N 2.88Å; K848-K850 VanDerWaalsContact O-N 3.12Å; K848-Q851 PolarHBondContact O-N 3.4Å; K848-Q851 VanDerWaalsContact O-N 3.07Å
849M35.4Very low36.6Very low172 Ų172130.8 Ų130.885%0.84768%0.684SS**THydrogen-bonded Turntrans-63.6-8.3169.2-78.6-16968.700114.5N845 M847N845-M849 PolarHBondContact O-N 2.82Å; M847-M849 VanDerWaalsContact C-N 3.31Å; M847-M849 PolarHBondContact O-N 2.86Å
850K38.2Very low36Very low194 Ų194135.3 Ų135.384%0.84370%0.704SS**THydrogen-bonded Turntrans-105.36.6170-81.7-169.3173.1-178.40115.2M847 K848M847-K850 PolarHBondContact O-N 2.81Å; K848-K850 PolarHBondContact O-N 2.88Å; K848-K850 VanDerWaalsContact O-N 3.12Å
851Q26.3Very low35.4Very low158 Ų158135.9 Ų135.974%0.73871%0.706SS**  trans-142.390.8175-72.4-165.3-0.100114.8K848K848-Q851 PolarHBondContact O-N 3.4Å; K848-Q851 VanDerWaalsContact O-N 3.07Å
852L28.4Very low34.2Very low166 Ų166138.3 Ų138.387%0.86971%0.714SS**  trans-169.3147.6140.5-133.574.1000110.4
853P41.2Very low33.3Very low105 Ų105141.8 Ų141.868%0.68273%0.727SS**  cis-121168.1-37.519.80.7000112.8A855P853-A855 PolarHBondContact O-N 2.64Å
854N26.9Very low32.4Very low157 Ų157143.9 Ų143.984%0.8475%0.745SS**  trans-64.8101.1159.3-79.9-14.8000110.3T856N854-T856 VanDerWaalsContact C-N 3.29Å; N854-T856 PolarHBondContact O-N 3.27Å
855A28.6Very low31.6Very low93 Ų93142 Ų14277%0.76975%0.754SS**  trans-86.270.216400000109.7P853 S857P853-A855 PolarHBondContact O-N 2.64Å; A855-S857 PolarHBondContact O-N 2.91Å; A855-S857 VanDerWaalsContact O-N 3.09Å
856T25.8Very low31Very low112 Ų112144.3 Ų144.369%0.68777%0.771SS**  trans-64.1111.7178.2-54.20000110.1N854N854-T856 VanDerWaalsContact C-N 3.29Å; N854-T856 PolarHBondContact O-N 3.27Å
857S29.5Very low30.5Very low115 Ų115143.1 Ų143.180%0.80477%0.773SS**  trans-141.497.9167.1-75.60000108.5A855 H859A855-S857 PolarHBondContact O-N 2.91Å; A855-S857 VanDerWaalsContact O-N 3.09Å; S857-H859 PolarHBondContact O-N 3.34Å
858Q25.6Very low30.3Very low184 Ų184142.1 Ų142.186%0.8678%0.78SS**  trans-64.2125173.7-65.1166.1-35.400108.6
859H28.6Very low30.3Very low167 Ų167141.8 Ų141.877%0.77379%0.789SS**  trans-130.891.6153.7-132.8-59.6000109.2S857 I861S857-H859 PolarHBondContact O-N 3.34Å; H859-I861 PolarHBondContact O-N 3.01Å
860N25.2Very low30.7Very low153 Ų153138.9 Ų138.982%0.81878%0.781SS**  trans-55.4133147.1-83-6.7000107
861I29.2Very low31.2Very low153 Ų153133.9 Ų133.979%0.78576%0.764SS**  -149136.9128.3-102.1153.3000107.1H859H859-I861 PolarHBondContact O-N 3.01Å
862Q24.1Very low32.8Very low154 Ų154131 Ų13172%0.7276%0.759SS**  trans-91.5137.7-169.5169.4164.2-4.900109.6
863E25.3Very low34.4Very low160 Ų160130.2 Ų130.275%0.74875%0.751SS**  trans42.9102.5139.5-169175.5-148.600118.3
864S26.5Very low35.7Very low117 Ų117128.3 Ų128.382%0.81874%0.74SS**  trans-167.1145.8138.123.40000110.6
865A28.4Very low37.6Very low94 Ų94125.2 Ų125.278%0.77772%0.723SS**  trans-94.3126.9173.600000110.3
866T33.5Very low39.8Very low130 Ų130123.6 Ų123.680%0.79871%0.709SS**  trans-170.8137.9146.38.20000110.6
867D33.1Very low42.5Very low146 Ų146125.8 Ų125.878%0.78171%0.706SS**  trans34.180.3161.3-59.4-5.7000118.2T869D867-T869 VanDerWaalsContact C-N 3.26Å; D867-T869 PolarHBondContact O-N 2.97Å
868S35.3Very low45Very low117 Ų117125.4 Ų125.482%0.81869%0.693SS**  trans-70.674.3173.762.30000112.8T870S868-T870 PolarHBondContact O-N 3.5Å
869T41.2Very low47.6Very low131 Ų131120.9 Ų120.980%0.80467%0.674SS**  trans-71.3104.3160.348.70000108.6D867 D871D867-T869 VanDerWaalsContact C-N 3.26Å; D867-T869 PolarHBondContact O-N 2.97Å; T869-D871 PolarHBondContact O-N 2.82Å
870T44.5Very low50.3Low110 Ų110118.9 Ų118.968%0.67566%0.663SS**  trans-59.2110.7-174.2-52.70000111.5S868 P872S868-T870 PolarHBondContact O-N 3.5Å; T870-P872 WeakPolarHBondContact O-CD 3.44Å
871D47.8Very low53.1Low89 Ų89115.6 Ų115.648%0.47665%0.646SS.*  trans-57.4122.2178174.318.9000111.3T869 Q873 S874 L875T869-D871 PolarHBondContact O-N 2.82Å; D871-Q873 PolarHBondContact O-N 3.38Å; D871-Q873 VanDerWaalsContact O-N 3.12Å; D871-Q873 WeakPolarHBondContact OD1-CB 3.17Å; D871-Q873 PolarHBondContact OD1-N 3.18Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.19Å; D871-S874 WeakPolarHBondContact O-CB 3.49Å; D871-S874 PolarHBondContact O-N 2.97Å; D871-L875 PolarHBondContact O-N 3.48Å
872P60.2Low55.2Low98 Ų98114 Ų11464%0.63664%0.635SS**Hα-helixtrans-53-29.5174.4-28.236.3000114.2T870 S874 L875 A876T870-P872 WeakPolarHBondContact O-CD 3.44Å; P872-S874 VanDerWaalsContact C-N 3.31Å; P872-S874 PolarHBondContact O-N 3.43Å; P872-L875 PolarHBondContact O-N 2.91Å; P872-A876 WeakPolarHBondContact O-CB 3.18Å; P872-A876 PolarHBondContact O-N 2.99Å
873Q62Low57.9Low149 Ų149111.5 Ų111.570%0.69663%0.626SS**Hα-helixtrans-61.1-41.4175.5-133.684.4-16.800111.3D871 A876 Y877D871-Q873 PolarHBondContact O-N 3.38Å; D871-Q873 VanDerWaalsContact O-N 3.12Å; D871-Q873 WeakPolarHBondContact OD1-CB 3.17Å; D871-Q873 PolarHBondContact OD1-N 3.18Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.19Å; Q873-A876 PolarHBondContact O-N 3.39Å; Q873-Y877 PolarHBondContact O-N 3.26Å
874S67.5Low60.8Low65 Ų65107.2 Ų107.246%0.45561%0.608SS.*Hα-helixtrans-70.9-38.6178.9-167.10000112D871 P872 Y877 M878D871-S874 WeakPolarHBondContact O-CB 3.49Å; D871-S874 PolarHBondContact O-N 2.97Å; P872-S874 VanDerWaalsContact C-N 3.31Å; P872-S874 PolarHBondContact O-N 3.43Å; S874-Y877 PolarHBondContact O-N 3.26Å; S874-M878 PolarHBondContact O-N 2.9Å; S874-M878 VanDerWaalsContact O-N 3.08Å
875L67.3Low63.4Low93 Ų93104.2 Ų104.249%0.48759%0.591SS.*Hα-helixtrans-63.9-43173.6-175.868.2000111.3D871 P872 Y877 M878 L879D871-L875 PolarHBondContact O-N 3.48Å; P872-L875 PolarHBondContact O-N 2.91Å; L875-Y877 VanDerWaalsContact C-N 3.32Å; L875-Y877 PolarHBondContact O-N 3.2Å; L875-M878 WeakPolarHBondContact O-CB 3.33Å; L875-M878 PolarHBondContact O-N 3.06Å; L875-L879 HydrophobicContact CG-CD1 4.15Å; L875-L879 WeakPolarHBondContact O-CG 3.33Å; L875-L879 PolarHBondContact O-N 3.22Å
876A75.5Confident65.9Low58 Ų58103.7 Ų103.748%0.47957%0.574SS.*Hα-helixtrans-62.7-37.517700000112.4P872 Q873 K880P872-A876 WeakPolarHBondContact O-CB 3.18Å; P872-A876 PolarHBondContact O-N 2.99Å; Q873-A876 PolarHBondContact O-N 3.39Å; A876-K880 WeakPolarHBondContact O-CB 3.48Å; A876-K880 PolarHBondContact O-N 3.14Å
877Y82.4Confident68.3Low159 Ų159101.5 Ų101.562%0.62456%0.557SS**Hα-helixtrans-66.1-39.4174.1-155.3-84.8000111.9Q873 S874 L875 K880 N881Q873-Y877 PolarHBondContact O-N 3.26Å; S874-Y877 PolarHBondContact O-N 3.26Å; L875-Y877 VanDerWaalsContact C-N 3.32Å; L875-Y877 PolarHBondContact O-N 3.2Å; Y877-K880 PolarHBondContact O-N 2.97Å; Y877-N881 PolarHBondContact O-N 3.17Å
878M82.3Confident70.8Confident106 Ų10699 Ų9952%0.52254%0.544SS..Hα-helixtrans-66.4-46178-147.1-178.3-55.100112S874 L875 K880 N881 Q882S874-M878 PolarHBondContact O-N 2.9Å; S874-M878 VanDerWaalsContact O-N 3.08Å; L875-M878 WeakPolarHBondContact O-CB 3.33Å; L875-M878 PolarHBondContact O-N 3.06Å; M878-K880 VanDerWaalsContact C-N 3.32Å; M878-K880 PolarHBondContact O-N 2.95Å; M878-N881 PolarHBondContact O-N 3.46Å; M878-Q882 PolarHBondContact O-N 3.47Å
879L79.9Confident73.2Confident89 Ų8999 Ų9947%0.46653%0.531SS..Hα-helixtrans-61.5-38.7173.9-73.8168.6000112L875 Q882 L883L875-L879 HydrophobicContact CG-CD1 4.15Å; L875-L879 WeakPolarHBondContact O-CG 3.33Å; L875-L879 PolarHBondContact O-N 3.22Å; L879-Q882 PolarHBondContact O-N 3.31Å; L879-L883 PolarHBondContact O-N 3.25Å
880K85.8Confident75.1Confident125 Ų12596.3 Ų96.354%0.54351%0.511SS..Hα-helixtrans-64-46.9174.9-172.1-176.6174.6-169.60111.6A876 Y877 M878 Q882 L883 D884A876-K880 WeakPolarHBondContact O-CB 3.48Å; A876-K880 PolarHBondContact O-N 3.14Å; Y877-K880 PolarHBondContact O-N 2.97Å; M878-K880 VanDerWaalsContact C-N 3.32Å; M878-K880 PolarHBondContact O-N 2.95Å; K880-Q882 VanDerWaalsContact C-N 3.27Å; K880-Q882 PolarHBondContact O-N 3.21Å; K880-L883 PolarHBondContact O-N 3.37Å; K880-L883 VanDerWaalsContact O-N 3.17Å; K880-D884 VanDerWaalsContact CE-OD2 3.3Å; K880-D884 WeakPolarHBondContact CE-OD2 3.27Å; K880-D884 WeakPolarHBondContact O-CB 3.44Å; K880-D884 PolarHBondContact O-N 3.4Å
881N83.4Confident77.2Confident85 Ų8597.7 Ų97.746%0.45551%0.507SS..Hα-helixtrans-59.4-38.1177.1-72.4-12.1000112.1Y877 M878 A885Y877-N881 PolarHBondContact O-N 3.17Å; M878-N881 PolarHBondContact O-N 3.46Å; N881-A885 WeakPolarHBondContact O-CB 3.42Å; N881-A885 PolarHBondContact O-N 2.91Å
882Q73.7Confident79Confident118 Ų11899.4 Ų99.455%0.55152%0.516SS*.Hα-helixtrans-66.8-43.8174.3-74.2-178.2-35.700112.3M878 L879 K880 A885 I886M878-Q882 PolarHBondContact O-N 3.47Å; L879-Q882 PolarHBondContact O-N 3.31Å; K880-Q882 VanDerWaalsContact C-N 3.27Å; K880-Q882 PolarHBondContact O-N 3.21Å; Q882-A885 PolarHBondContact O-N 2.88Å; Q882-I886 WeakPolarHBondContact O-CD1 3.05Å; Q882-I886 VanDerWaalsContact O-CG1 3.28Å; Q882-I886 WeakPolarHBondContact O-CG1 3.45Å; Q882-I886 PolarHBondContact O-N 2.85Å
883L80.8Confident79.8Confident102 Ų10299.3 Ų99.353%0.53451%0.509SS..Hα-helixtrans-61.9-43.2174.4-83.3163.1000112.3L879 K880 A885 I886 N887L879-L883 PolarHBondContact O-N 3.25Å; K880-L883 PolarHBondContact O-N 3.37Å; K880-L883 VanDerWaalsContact O-N 3.17Å; L883-A885 VanDerWaalsContact C-N 3.32Å; L883-A885 PolarHBondContact O-N 3.49Å; L883-I886 PolarHBondContact O-N 3.31Å; L883-N887 WeakPolarHBondContact O-CB 3.43Å; L883-N887 PolarHBondContact O-N 2.91Å; L883-N887 PolarHBondContact O-ND2 3.47Å
884D85.3Confident80.9Confident70 Ų7098 Ų9837%0.37450%0.503SS..Hα-helixtrans-66.7-33.9177.4-72.6-24.3000111.4K880 N888K880-D884 VanDerWaalsContact CE-OD2 3.3Å; K880-D884 WeakPolarHBondContact CE-OD2 3.27Å; K880-D884 WeakPolarHBondContact O-CB 3.44Å; K880-D884 PolarHBondContact O-N 3.4Å; D884-N888 PolarHBondContact O-N 3.34Å; D884-N888 PolarHBondContact O-ND2 2.98Å
885A81.9Confident81.8Confident55 Ų55101.2 Ų101.246%0.45551%0.511SS..Hα-helixtrans-65.7-50.8171.400000112.3N881 Q882 L883 N887 N888 E889N881-A885 WeakPolarHBondContact O-CB 3.42Å; N881-A885 PolarHBondContact O-N 2.91Å; Q882-A885 PolarHBondContact O-N 2.88Å; L883-A885 VanDerWaalsContact C-N 3.32Å; L883-A885 PolarHBondContact O-N 3.49Å; A885-N887 VanDerWaalsContact C-N 3.29Å; A885-N887 PolarHBondContact O-N 3.32Å; A885-N888 WeakPolarHBondContact O-CB 3.47Å; A885-N888 PolarHBondContact O-N 3.09Å; A885-E889 PolarHBondContact O-N 2.97Å
886I81.2Confident82.5Confident82 Ų82102.9 Ų102.942%0.42152%0.516SS..Hα-helixtrans-59.6-39.6178-68.5162.9000111Q882 L883 N888 E889 I890Q882-I886 WeakPolarHBondContact O-CD1 3.05Å; Q882-I886 VanDerWaalsContact O-CG1 3.28Å; Q882-I886 WeakPolarHBondContact O-CG1 3.45Å; Q882-I886 PolarHBondContact O-N 2.85Å; L883-I886 PolarHBondContact O-N 3.31Å; I886-N888 VanDerWaalsContact C-N 3.28Å; I886-N888 PolarHBondContact O-N 2.97Å; I886-E889 PolarHBondContact O-N 3.48Å; I886-I890 HydrophobicContact CG2-CD1 3.77Å; I886-I890 HydrophobicContact CG2-CG1 4.38Å; I886-I890 WeakPolarHBondContact O-CB 3.38Å; I886-I890 VanDerWaalsContact O-CG1 3.29Å; I886-I890 WeakPolarHBondContact O-CG1 3.41Å; I886-I890 PolarHBondContact O-N 3.05Å
887N83.9Confident83.1Confident84 Ų84105.7 Ų105.745%0.44952%0.518SS..Hα-helixtrans-65.6-28.5175.7-76.1-41.6000113.4L883 A885 K891L883-N887 WeakPolarHBondContact O-CB 3.43Å; L883-N887 PolarHBondContact O-N 2.91Å; L883-N887 PolarHBondContact O-ND2 3.47Å; A885-N887 VanDerWaalsContact C-N 3.29Å; A885-N887 PolarHBondContact O-N 3.32Å; N887-K891 WeakPolarHBondContact O-CG 3.41Å; N887-K891 PolarHBondContact O-N 2.89Å
888N83.9Confident83.2Confident94 Ų94100.8 Ų100.850%0.50351%0.51SS..Hα-helixtrans-78.7-37.2173.5-72.1-42.5000112D884 A885 I886 K891 L892D884-N888 PolarHBondContact O-N 3.34Å; D884-N888 PolarHBondContact O-ND2 2.98Å; A885-N888 WeakPolarHBondContact O-CB 3.47Å; A885-N888 PolarHBondContact O-N 3.09Å; I886-N888 VanDerWaalsContact C-N 3.28Å; I886-N888 PolarHBondContact O-N 2.97Å; N888-K891 WeakPolarHBondContact O-CB 3.26Å; N888-K891 PolarHBondContact O-N 2.86Å; N888-L892 PolarHBondContact O-N 2.76Å
889E85.9Confident83.2Confident117 Ų11799 Ų9955%0.54751%0.505SS..Hα-helixtrans-63.3-46173.4-173.3174.6-169.600111.5A885 I886 K891 L892 I893A885-E889 PolarHBondContact O-N 2.97Å; I886-E889 PolarHBondContact O-N 3.48Å; E889-K891 VanDerWaalsContact C-N 3.26Å; E889-K891 PolarHBondContact O-N 3.42Å; E889-L892 WeakPolarHBondContact O-CB 3.47Å; E889-L892 PolarHBondContact O-N 3.5Å; E889-L892 VanDerWaalsContact O-N 3.08Å; E889-I893 HydrophobicContact CG-CD1 4.12Å; E889-I893 WeakPolarHBondContact O-CG1 3.23Å; E889-I893 PolarHBondContact O-N 3.45Å
890I81.3Confident83Confident75 Ų7598.8 Ų98.839%0.38551%0.507SS..Hα-helixtrans-58.5-37.6173.4-70.4168.1000111.4I886 Q894I886-I890 HydrophobicContact CG2-CD1 3.77Å; I886-I890 HydrophobicContact CG2-CG1 4.38Å; I886-I890 WeakPolarHBondContact O-CB 3.38Å; I886-I890 VanDerWaalsContact O-CG1 3.29Å; I886-I890 WeakPolarHBondContact O-CG1 3.41Å; I886-I890 PolarHBondContact O-N 3.05Å; I890-Q894 HydrophobicContact CG2-CG 4.48Å; I890-Q894 WeakPolarHBondContact O-CB 3.38Å; I890-Q894 WeakPolarHBondContact O-CG 3.18Å; I890-Q894 PolarHBondContact O-N 3.34Å
891K88.7Confident82.9Confident138 Ų13897.6 Ų97.660%0.650%0.504SS*.Hα-helixtrans-66.8-39.4174-86.4179.4174.9176.60113.2N887 N888 E889 Q894 H895N887-K891 WeakPolarHBondContact O-CG 3.41Å; N887-K891 PolarHBondContact O-N 2.89Å; N888-K891 WeakPolarHBondContact O-CB 3.26Å; N888-K891 PolarHBondContact O-N 2.86Å; E889-K891 VanDerWaalsContact C-N 3.26Å; E889-K891 PolarHBondContact O-N 3.42Å; K891-Q894 PolarHBondContact O-N 3.17Å; K891-H895 WeakPolarHBondContact O-CB 3.46Å; K891-H895 PolarHBondContact O-N 3.02Å
892L85.6Confident82.7Confident126 Ų126100.1 Ų100.166%0.6651%0.514SS*.Hα-helixtrans-62.2-48.8174.7-87155.9000110.7N888 E889 Q894 H895 E896N888-L892 PolarHBondContact O-N 2.76Å; E889-L892 WeakPolarHBondContact O-CB 3.47Å; E889-L892 PolarHBondContact O-N 3.5Å; E889-L892 VanDerWaalsContact O-N 3.08Å; L892-Q894 VanDerWaalsContact C-N 3.32Å; L892-Q894 PolarHBondContact O-N 3.37Å; L892-H895 WeakPolarHBondContact O-CB 3.15Å; L892-H895 PolarHBondContact O-N 2.88Å; L892-H895 VanDerWaalsContact O-N 3.13Å; L892-E896 WeakPolarHBondContact O-CB 3.29Å; L892-E896 PolarHBondContact O-N 3.31Å
893I78.4Confident82.5Confident96 Ų9699.2 Ų99.249%0.49251%0.513SS..Hα-helixtrans-61.1-39.5176.9-64.5165000111.2E889 E896 K897E889-I893 HydrophobicContact CG-CD1 4.12Å; E889-I893 WeakPolarHBondContact O-CG1 3.23Å; E889-I893 PolarHBondContact O-N 3.45Å; I893-E896 PolarHBondContact O-N 2.86Å; I893-K897 WeakPolarHBondContact O-CB 3.47Å; I893-K897 PolarHBondContact O-N 3.26Å
894Q84.7Confident81.8Confident121 Ų12196.9 Ų96.957%0.56551%0.508SS*.Hα-helixtrans-66.6-37.2174.9-76.4172.83.600112.9I890 K891 L892 A898I890-Q894 HydrophobicContact CG2-CG 4.48Å; I890-Q894 WeakPolarHBondContact O-CB 3.38Å; I890-Q894 WeakPolarHBondContact O-CG 3.18Å; I890-Q894 PolarHBondContact O-N 3.34Å; K891-Q894 PolarHBondContact O-N 3.17Å; L892-Q894 VanDerWaalsContact C-N 3.32Å; L892-Q894 PolarHBondContact O-N 3.37Å; Q894-A898 WeakPolarHBondContact O-CB 3.38Å; Q894-A898 PolarHBondContact O-N 3.28Å
895H86.2Confident81.3Confident133 Ų13398 Ų9862%0.61652%0.515SS*.Hα-helixtrans-68.1-44.3174.8-175.3-71.1000111.5K891 L892 A898 T899K891-H895 WeakPolarHBondContact O-CB 3.46Å; K891-H895 PolarHBondContact O-N 3.02Å; L892-H895 WeakPolarHBondContact O-CB 3.15Å; L892-H895 PolarHBondContact O-N 2.88Å; L892-H895 VanDerWaalsContact O-N 3.13Å; H895-A898 PolarHBondContact O-N 3.06Å; H895-T899 PolarHBondContact ND1-OG1 3.39Å; H895-T899 WeakPolarHBondContact O-CB 3.44Å; H895-T899 PolarHBondContact O-N 3.08Å; H895-T899 PolarHBondContact O-OG1 3.07Å
896E82Confident80.7Confident128 Ų128100.1 Ų100.160%0.59852%0.515SS*.Hα-helixtrans-62.4-43175.7-174.9173.9-16200111.6L892 I893 T899 T900L892-E896 WeakPolarHBondContact O-CB 3.29Å; L892-E896 PolarHBondContact O-N 3.31Å; I893-E896 PolarHBondContact O-N 2.86Å; E896-T899 PolarHBondContact O-N 3.39Å; E896-T900 PolarHBondContact O-N 3.48Å; E896-T900 PolarHBondContact O-OG1 2.94Å
897K86.9Confident79.3Confident117 Ų117100.5 Ų100.551%0.50952%0.517SS..Hα-helixtrans-58.7-49.4171.9-165.4-156.3171.8-121.60111.3I893 T899 T900 E901I893-K897 WeakPolarHBondContact O-CB 3.47Å; I893-K897 PolarHBondContact O-N 3.26Å; K897-T899 PolarHBondContact O-N 3.02Å; K897-T900 WeakPolarHBondContact CA-OG1 3.41Å; K897-T900 PolarHBondContact O-N 3.39Å; K897-T900 PolarHBondContact O-OG1 2.93Å; K897-E901 IonicContact NZ-OE1 3.98Å; K897-E901 PolarHBondContact NZ-OE1 3.19Å; K897-E901 IonicContact NZ-OE2 2.68Å; K897-E901 PolarHBondContact NZ-OE2 3.22Å; K897-E901 WeakPolarHBondContact O-CB 3.45Å; K897-E901 PolarHBondContact O-N 3.46Å
898A84.9Confident77.4Confident56 Ų56103.7 Ų103.746%0.46353%0.527SS..Hα-helixtrans-61.6-35178.900000112.3Q894 H895 M902Q894-A898 WeakPolarHBondContact O-CB 3.38Å; Q894-A898 PolarHBondContact O-N 3.28Å; H895-A898 PolarHBondContact O-N 3.06Å; A898-M902 WeakPolarHBondContact O-CB 3.25Å; A898-M902 PolarHBondContact O-N 3.3Å
899T82.5Confident75.8Confident69 Ų69101.9 Ų101.942%0.42353%0.53SS..Hα-helixtrans-68.6-43.5176.9-51.30000111.5H895 E896 K897 L903H895-T899 PolarHBondContact ND1-OG1 3.39Å; H895-T899 WeakPolarHBondContact O-CB 3.44Å; H895-T899 PolarHBondContact O-N 3.08Å; H895-T899 PolarHBondContact O-OG1 3.07Å; E896-T899 PolarHBondContact O-N 3.39Å; K897-T899 PolarHBondContact O-N 3.02Å; T899-L903 WeakPolarHBondContact O-CB 3.45Å; T899-L903 PolarHBondContact O-N 3.37Å
900T75.3Confident74.2Confident83 Ų83104.9 Ų104.951%0.50954%0.537SS..Hα-helixtrans-71.9-35.7178.2470000112.7E896 K897 L903 A904E896-T900 PolarHBondContact O-N 3.48Å; E896-T900 PolarHBondContact O-OG1 2.94Å; K897-T900 WeakPolarHBondContact CA-OG1 3.41Å; K897-T900 PolarHBondContact O-N 3.39Å; K897-T900 PolarHBondContact O-OG1 2.93Å; T900-L903 PolarHBondContact O-N 2.91Å; T900-A904 WeakPolarHBondContact O-CB 3.47Å; T900-A904 PolarHBondContact O-N 3.08Å
901E84Confident72.3Confident101 Ų101109.5 Ų109.547%0.47255%0.554SS.*Hα-helixtrans-64.3-43.5173.5-166.9157.8-14200110.7K897 L903 A904 D905K897-E901 IonicContact NZ-OE1 3.98Å; K897-E901 PolarHBondContact NZ-OE1 3.19Å; K897-E901 IonicContact NZ-OE2 2.68Å; K897-E901 PolarHBondContact NZ-OE2 3.22Å; K897-E901 WeakPolarHBondContact O-CB 3.45Å; K897-E901 PolarHBondContact O-N 3.46Å; E901-L903 PolarHBondContact O-N 3.33Å; E901-A904 PolarHBondContact O-N 3.48Å; E901-D905 PolarHBondContact O-N 3.27Å
902M78.8Confident69.7Low137 Ų137104.9 Ų104.968%0.67555%0.546SS*.Hα-helixtrans-66.2-35.4174.1-165.4-177.378.100113.1A898 D905 E906A898-M902 WeakPolarHBondContact O-CB 3.25Å; A898-M902 PolarHBondContact O-N 3.3Å; M902-D905 PolarHBondContact O-N 2.93Å; M902-E906 PolarHBondContact O-N 2.79Å
903L69.6Low67.1Low99 Ų99104.8 Ų104.852%0.51855%0.55SS.*Hα-helixtrans-72.4-34.4176-167.7148.4000111.9T899 T900 E901 E906 L907T899-L903 WeakPolarHBondContact O-CB 3.45Å; T899-L903 PolarHBondContact O-N 3.37Å; T900-L903 PolarHBondContact O-N 2.91Å; E901-L903 PolarHBondContact O-N 3.33Å; L903-E906 PolarHBondContact O-N 3.33Å; L903-L907 HydrophobicContact CD2-CD1 3.87Å; L903-L907 HydrophobicContact CD2-CG 4.4Å; L903-L907 WeakPolarHBondContact O-CG 3.46Å; L903-L907 PolarHBondContact O-N 2.92Å
904A67.7Low64.9Low53 Ų53105.9 Ų105.944%0.43856%0.562SS.*Hα-helixtrans-65-40.8170.800000111.7T900 E901 L907 K908T900-A904 WeakPolarHBondContact O-CB 3.47Å; T900-A904 PolarHBondContact O-N 3.08Å; E901-A904 PolarHBondContact O-N 3.48Å; A904-L907 PolarHBondContact O-N 3.46Å; A904-K908 VanDerWaalsContact O-CB 3.3Å; A904-K908 WeakPolarHBondContact O-CB 3.49Å; A904-K908 PolarHBondContact O-N 2.94Å
905D74.9Confident62.5Low95 Ų95107.4 Ų107.451%0.50857%0.574SS.*Hα-helixtrans-69.2-31.7172.8-87.2-21000112.8E901 M902 K908 G909E901-D905 PolarHBondContact O-N 3.27Å; M902-D905 PolarHBondContact O-N 2.93Å; D905-K908 PolarHBondContact O-N 2.75Å; D905-G909 PolarHBondContact O-N 3Å
906E67.4Low60.1Low99 Ų99107.5 Ų107.546%0.46358%0.578SS.*Hα-helixtrans-64.7-44.1170.9-160.7-160.4143.200111.3M902 L903 K908 G909 R910M902-E906 PolarHBondContact O-N 2.79Å; L903-E906 PolarHBondContact O-N 3.33Å; E906-K908 VanDerWaalsContact C-N 3.34Å; E906-K908 PolarHBondContact O-N 2.9Å; E906-G909 PolarHBondContact O-N 2.91Å; E906-R910 WeakPolarHBondContact O-CB 3.44Å; E906-R910 WeakPolarHBondContact O-CG 3.41Å; E906-R910 PolarHBondContact O-N 2.96Å; E906-R910 IonicContact OE1-CZ 3.57Å; E906-R910 IonicContact OE1-NE 2.76Å; E906-R910 PolarHBondContact OE1-NE 3.34Å; E906-R910 IonicContact OE1-NH2 3.76Å; E906-R910 PolarHBondContact OE1-NH2 3.26Å
907L52.7Low57.8Low89 Ų89107.2 Ų107.247%0.46658%0.58SS.*Hα-helixtrans-60.7-44.2173.3-73.9167.9000111.3L903 A904 G909 R910 F911L903-L907 HydrophobicContact CD2-CD1 3.87Å; L903-L907 HydrophobicContact CD2-CG 4.4Å; L903-L907 WeakPolarHBondContact O-CG 3.46Å; L903-L907 PolarHBondContact O-N 2.92Å; A904-L907 PolarHBondContact O-N 3.46Å; L907-G909 VanDerWaalsContact C-N 3.31Å; L907-G909 PolarHBondContact O-N 3.44Å; L907-R910 PolarHBondContact O-N 2.99Å; L907-F911 VanDerWaalsContact O-CD2 3.28Å; L907-F911 WeakPolarHBondContact O-CD2 3.25Å; L907-F911 PolarHBondContact O-N 3.4Å
908K44.8Very low55.7Low152 Ų152106.8 Ų106.866%0.66159%0.587SS**Hα-helixtrans-63.8-35.2177.6-165.3176.2-178.7-177.70112.5A904 D905 E906 F911 G912A904-K908 VanDerWaalsContact O-CB 3.3Å; A904-K908 WeakPolarHBondContact O-CB 3.49Å; A904-K908 PolarHBondContact O-N 2.94Å; D905-K908 PolarHBondContact O-N 2.75Å; E906-K908 VanDerWaalsContact C-N 3.34Å; E906-K908 PolarHBondContact O-N 2.9Å; K908-F911 CarbonylContact O-C 3.59Å; K908-G912 PolarHBondContact O-N 3.01Å; K908-G912 VanDerWaalsContact O-N 3.16Å
909G50.6Low53.5Low55 Ų55111 Ų11157%0.56760%0.597SS**Hα-helixtrans-70-40.6171.300000113.2D905 E906 L907 F911 G912D905-G909 PolarHBondContact O-N 3Å; E906-G909 PolarHBondContact O-N 2.91Å; L907-G909 VanDerWaalsContact C-N 3.31Å; L907-G909 PolarHBondContact O-N 3.44Å; G909-F911 PolarHBondContact O-N 3.25Å; G909-G912 PolarHBondContact O-N 2.74Å; G909-G912 VanDerWaalsContact O-N 3.08Å
910R51.4Low51.5Low180 Ų180112.3 Ų112.368%0.67960%0.601SS**Hα-helixtrans-64.6-24.6174.4-74.8175.2-179.5-121.58.6113.4E906 L907E906-R910 WeakPolarHBondContact O-CB 3.44Å; E906-R910 WeakPolarHBondContact O-CG 3.41Å; E906-R910 PolarHBondContact O-N 2.96Å; E906-R910 IonicContact OE1-CZ 3.57Å; E906-R910 IonicContact OE1-NE 2.76Å; E906-R910 PolarHBondContact OE1-NE 3.34Å; E906-R910 IonicContact OE1-NH2 3.76Å; E906-R910 PolarHBondContact OE1-NH2 3.26Å; L907-R910 PolarHBondContact O-N 2.99Å
911F41Very low49.8Very low172 Ų172114.1 Ų114.175%0.75461%0.607SS**THydrogen-bonded Turntrans-107.725.7172.1-65-69.8000112.9L907 K908 G909 T913L907-F911 VanDerWaalsContact O-CD2 3.28Å; L907-F911 WeakPolarHBondContact O-CD2 3.25Å; L907-F911 PolarHBondContact O-N 3.4Å; K908-F911 CarbonylContact O-C 3.59Å; G909-F911 PolarHBondContact O-N 3.25Å; F911-T913 PolarHBondContact O-N 2.98Å
912G33.6Very low47.7Very low41 Ų41115.1 Ų115.142%0.42362%0.615SS.*  trans-72.287.8178.300000113.6K908 G909 T914K908-G912 PolarHBondContact O-N 3.01Å; K908-G912 VanDerWaalsContact O-N 3.16Å; G909-G912 PolarHBondContact O-N 2.74Å; G909-G912 VanDerWaalsContact O-N 3.08Å; G912-T914 PolarHBondContact O-N 2.95Å
913T31.3Very low45.8Very low124 Ų124110.7 Ų110.776%0.76160%0.595SS**  trans45.767.815660.10000116.1F911F911-T913 PolarHBondContact O-N 2.98Å
914T33.2Very low44.1Very low119 Ų119111.6 Ų111.673%0.7360%0.596SS**  trans-96.1104.7150.4-41.40000107.3G912 I916G912-T914 PolarHBondContact O-N 2.95Å; T914-I916 HydrophobicContact CG2-CD1 4.17Å; T914-I916 HydrophobicContact CG2-CG1 3.76Å; T914-I916 PolarHBondContact O-N 3.11Å
915D33.6Very low42.5Very low153 Ų153118.4 Ų118.482%0.81862%0.616SS**  trans-73.173.3179.5-69.2-53.7000111.3N917D915-N917 VanDerWaalsContact C-N 3.29Å; D915-N917 PolarHBondContact O-N 3.2Å
916I36Very low40.7Very low136 Ų136122.2 Ų122.270%0.69763%0.628SS**  trans-76.584.8177.3-56.5-179.9000108.5T914 V918T914-I916 HydrophobicContact CG2-CD1 4.17Å; T914-I916 HydrophobicContact CG2-CG1 3.76Å; T914-I916 PolarHBondContact O-N 3.11Å; I916-V918 PolarHBondContact O-N 3.36Å
917N33.1Very low39.2Very low121 Ų121122.6 Ų122.665%0.64764%0.638SS**  trans-52.5122.6174.6-176.8-8.5000110.5D915 H919D915-N917 VanDerWaalsContact C-N 3.29Å; D915-N917 PolarHBondContact O-N 3.2Å; N917-H919 PolarHBondContact O-N 3.1Å; N917-H919 VanDerWaalsContact O-N 3.11Å; N917-H919 PolarHBondContact OD1-ND1 3.15Å
918V43.1Very low38.2Very low109 Ų109125.6 Ų125.666%0.66165%0.647SS**G310 helixtrans-68.9-14.3-162.5176.60000113.9I916 N920 I921I916-V918 PolarHBondContact O-N 3.36Å; V918-N920 PolarHBondContact O-N 3.01Å; V918-I921 PolarHBondContact O-N 2.92Å
919H39Very low37.4Very low143 Ų143126.5 Ų126.566%0.66266%0.659SS**G310 helixtrans-61.8-11.5-171.6-78.985.8000116.7N917N917-H919 PolarHBondContact O-N 3.1Å; N917-H919 VanDerWaalsContact O-N 3.11Å; N917-H919 PolarHBondContact OD1-ND1 3.15Å
920N39.8Very low36.3Very low97 Ų97132.3 Ų132.352%0.51967%0.671SS.*G310 helixtrans-93.9-8-176.8-124.6-16.2000115.5C517 V918C517-N920 PolarHBondContact SG-ND2 3.44Å; C517-N920 VanDerWaalsContact SG-ND2 3.39Å; C517-N920 PolarHBondContact SG-OD1 2.98Å; C517-N920 VanDerWaalsContact SG-OD1 3.34Å; V918-N920 PolarHBondContact O-N 3.01Å
921I40Very low35.2Very low122 Ų122135 Ų13563%0.62668%0.683SS**Hα-helixtrans-77.9-28.6-177.1-67177.4000112.5V918 N923V918-I921 PolarHBondContact O-N 2.92Å; I921-N923 PolarHBondContact O-N 2.9Å
922N39.4Very low34.7Very low121 Ų121131.5 Ų131.565%0.64769%0.686SS**Hα-helixtrans-65-22.3-179.9-79.6-0.1000113.9
923N38.8Very low34.6Very low45 Ų45136.2 Ų136.224%0.24170%0.701CS.*Hα-helixtrans-94-27.5-172.6-78.3-53.9000115.2N515 I921 F925 K926N515-N923 VanDerWaalsContact CG-ND2 3.26Å; N515-N923 PolarHBondContact ND2-ND2 3.33Å; N515-N923 PolarHBondContact OD1-ND2 2.85Å; I921-N923 PolarHBondContact O-N 2.9Å; N923-F925 VanDerWaalsContact C-N 3.34Å; N923-F925 PolarHBondContact O-N 3.2Å; N923-K926 PolarHBondContact O-N 2.72Å
924E35.4Very low34.4Very low117 Ų117134.6 Ų134.655%0.54770%0.695SS.*Hα-helixtrans-75.5-19.8-176.4-137.5-161.2147.200114K926 K928E924-K926 VanDerWaalsContact C-N 3.33Å; E924-K928 IonicContact OE1-NZ 2.62Å; E924-K928 PolarHBondContact OE1-NZ 3.36Å
925F33.3Very low34Very low196 Ų196140 Ų14086%0.8670%0.702SS**THydrogen-bonded Turntrans-78.5-12.2173.6-96.9-74.7000114.4N923 T927N923-F925 VanDerWaalsContact C-N 3.34Å; N923-F925 PolarHBondContact O-N 3.2Å; F925-T927 VanDerWaalsContact C-N 3.34Å
926K36.9Very low34.4Very low175 Ų175138.8 Ų138.876%0.76170%0.702SS**THydrogen-bonded Turntrans-79.8-12.6173-107.7173.8-179168.90113.4N923 E924N923-K926 PolarHBondContact O-N 2.72Å; E924-K926 VanDerWaalsContact C-N 3.33Å
927T36.4Very low34Very low108 Ų108140.4 Ų140.466%0.66371%0.711SS**SBendtrans-128.325.7-166.3520000115.4F925F925-T927 VanDerWaalsContact C-N 3.34Å
928K30.6Very low33.8Very low152 Ų152138 Ų13866%0.66171%0.714SS**SBendtrans-133.629178.5-111.8165.6-168.8162.50116.8E924E924-K928 IonicContact OE1-NZ 2.62Å; E924-K928 PolarHBondContact OE1-NZ 3.36Å
929N29Very low33.1Very low170 Ų170139.3 Ų139.391%0.90972%0.718SS**SBendtrans-134.438.2170.6-108.2-25.7000113.4
930Q26.7Very low32.6Very low177 Ų177139.5 Ų139.583%0.82772%0.724SS**  trans-123.3104.8166.8-69.5-172.26.700110
931Y28.2Very low32.1Very low237 Ų237138.1 Ų138.193%0.92973%0.732SS**  trans176.2151.7139.6-96.8-62.8000109.2
932A32Very low31.6Very low99 Ų99138.9 Ų138.982%0.81874%0.737SS**SBendtrans74.162.6-16800000114.4
933D30Very low31.2Very low140 Ų140140.3 Ų140.375%0.74975%0.745SS**  94.686.361.3-166.226.9000114.6
934S28Very low30.7Very low89 Ų89145 Ų14562%0.62277%0.77SS**  trans48.3137133.4-32.50000123.9
935R25.3Very low30.5Very low234 Ų234147 Ų14788%0.88379%0.785SS**  trans97.7146.5147.8-60.7165-168.3-137.8-0.3118.5
936P41.9Very low30.2Very low127 Ų127146.6 Ų146.683%0.82579%0.785SS**  cis-132.5170.6-23.935.7-17.9000115.7
937I27Very low29.7Very low169 Ų169142.4 Ų142.487%0.86778%0.783SS**  trans-64.2147.4-176.8-64.5152.6000114.3
938G29.7Very low29.4Very low70 Ų70144 Ų14472%0.72279%0.787SS**  trans177.996.7160.800000108.6
939N28.2Very low29.3Very low137 Ų137147 Ų14773%0.73380%0.795SS**  67.4102.861.1-153.989.6000113.1
940D27.8Very low29.4Very low148 Ų148146.8 Ų146.879%0.79179%0.794SS**  trans172.1154.4132.9-89.5-5.8000112.6
941G29.2Very low29.4Very low67 Ų67141 Ų14169%0.69178%0.782SS**  trans47.4100.9160.600000117.9
942N30Very low29.3Very low139 Ų139136.8 Ų136.874%0.74378%0.775SS**  32.6101.256.4-170.515.9000114.1
943N30.5Very low29.1Very low150 Ų150140.3 Ų140.380%0.80277%0.774SS**  trans-158.6108.1147.9-106.4-39.7000110.2
944N27.6Very low29Very low143 Ų143139.5 Ų139.577%0.76578%0.779SS**  trans-62.8135.6161.6-65.8-50.1000108.9
945N31.4Very low28.9Very low160 Ų160141 Ų14186%0.85679%0.79SS**  trans-134.7115152.7-95.7-54.1000109.6
946Q27.2Very low29.1Very low188 Ų188137 Ų13788%0.87978%0.781SS**  trans-85.9-178.3-179.7-163170.88.700109.2
947A27.9Very low29.1Very low86 Ų86136.1 Ų136.171%0.71178%0.775SS**  trans86.3136.817900000115.2
948D28.7Very low29.1Very low141 Ų141133.6 Ų133.675%0.75477%0.773SS**  cis-151.3171.8-9.5-134-40.7000114.5
949R28.7Very low29Very low217 Ų217134.7 Ų134.782%0.81978%0.775SS**  trans-64.2140.3177.4-63.9160.3165.1164.2-5.6112.3
950N30.6Very low28.8Very low165 Ų165136.8 Ų136.888%0.88279%0.786SS**  -179.1142.5120.8-85.8-35.3000108.9
951G27.6Very low28.7Very low56 Ų56133.9 Ų133.958%0.57778%0.782SS**  cis130.2109.22.100000110.9
952N26.9Very low28.5Very low148 Ų148135 Ų13579%0.79178%0.78SS**  trans109.9108.2-179.7-60-27.4000113.3
953H26.2Very low28.3Very low173 Ų173136 Ų13680%0.80178%0.784SS**  78.692.258.2-64.7-47.4000114.3
954S28.2Very low28Very low122 Ų122132 Ų13285%0.85377%0.767SS**  trans-167105.4132.910.30000112.7
955S26Very low27.9Very low120 Ų120130.4 Ų130.484%0.83976%0.759SS**  trans7.4128.9154.2-460000122.3
956E29.9Very low27.7Very low150 Ų150130.5 Ų130.570%0.70175%0.752SS**  -6.1161.7122.7-85.5-168.9141.100119.5
957P41.5Very low27.6Very low109 Ų109127.7 Ų127.771%0.70874%0.743SS**  cis-134.416816.437.5-19.8000117.2
958S28.2Very low27.4Very low116 Ų116134.7 Ų134.781%0.81175%0.753SS**  trans-64.7140.1159.8-49.10000111.9
959A26Very low27.1Very low94 Ų94138.8 Ų138.878%0.77776%0.758SS**  trans-137.249174.500000112.5A961A959-A961 PolarHBondContact O-N 3.04Å
960L24.9Very low26.8Very low181 Ų181134.3 Ų134.395%0.94876%0.755SS**  trans-71108.4162.5-74.5172.4000108.6
961A25.8Very low26.6Very low86 Ų86129.9 Ų129.971%0.71173%0.734SS**  trans-137.491.2-17900000112.2A959A959-A961 PolarHBondContact O-N 3.04Å
962S24.9Very low26.4Very low92 Ų92133 Ų13364%0.64374%0.741SS**  trans55.2104.1147.6-57.90000119.9
963L26Very low26.4Very low158 Ų158130 Ų13083%0.82774%0.737SS**  trans-48.6133.4144.9-69.5160.3000111.4K435K435-L963 WeakPolarHBondContact CE-O 3.34Å; K435-L963 PolarHBondContact NZ-O 2.88Å
964S24Very low26.3Very low66 Ų66127.6 Ų127.646%0.46274%0.735SS.*  170140.1124.858.60000114.5K435K435-S964 PolarHBondContact NZ-OG 3.26Å
965N26.1Very low26.3Very low110 Ų110128 Ų12859%0.58873%0.733SS**  trans61.7138.9137.8-59.4-0.6000118.8
966F26.6Very low26.1Very low162 Ų162130.5 Ų130.571%0.71173%0.731SS**  cis-164.4156.39.1-125.8-44.5000110.6
967N24.4Very low25.9Very low130 Ų130132.4 Ų132.470%0.69574%0.742SS**  trans53.5122.3149.3-69.4-20.8000122.6
968Y23.3Very low25Very low233 Ų233133.3 Ų133.391%0.91474%0.741SS**  trans-34138.4155.4-62.8-94000116.2
969R23.5Very low24.8Very low226 Ų226132.5 Ų132.585%0.85373%0.731SS**  trans-145.4117.7148.2-167178.2-172-1681.7111.2
970T23.3Very low24.6Very low124 Ų124134 Ų13476%0.76173%0.726SS**  trans-83.4135.217215.30000111.3
971T24.8Very low24.5Very low72 Ų72130.5 Ų130.544%0.44271%0.708SS.*  trans-144.8133.6169.530.30000111.1
972T24.6Very low24.5Very low120 Ų120135 Ų13574%0.73671%0.708SS**  trans-108.8130.2-173.447.30000112.9L1098T972-L1098 HydrophobicContact CG2-CD1 3.81Å
973A25.7Very low24.6Very low85 Ų85138 Ų13870%0.70271%0.711SS**  trans-150133.2156.500000107.2
974T25.3Very low24.6Very low123 Ų123137.4 Ų137.476%0.75571%0.709SS**  cis87.689.336-55.30000113.8
975T26.8Very low25.6Very low132 Ų132139.1 Ų139.181%0.8172%0.718SS**  trans-167.8103.3152.8-71.40000106.1
976Q22.7Very low25.4Very low171 Ų171139 Ų13980%0.79973%0.726SS**  59.487.981.3-76-164.3-11.100116.7
977M25.4Very low25.6Very low190 Ų190138.1 Ų138.194%0.93673%0.734SS**  trans-142.8102.9135.3-67.6-168.1-178.800105.6
978N23Very low25.4Very low128 Ų128136.5 Ų136.568%0.68473%0.733SS**  cis76120.349.2-154.664.7000112.7
979T22.8Very low25.6Very low99 Ų99136 Ų13661%0.60773%0.731SS**  trans64.2139.2155.552.50000118.5
980D22.7Very low25.6Very low125 Ų125130.8 Ų130.867%0.66872%0.724SS**  cis-162.9153.95.2-110.6-15.7000116.4
981I23.9Very low25.6Very low108 Ų108133.1 Ų133.155%0.55473%0.726SS**  trans42.2125.9140.2-42.5153.7000118.9
982Y25.5Very low25.7Very low182 Ų182137.5 Ų137.571%0.71474%0.739SS**  -173.6130.391-100-68.7000116.5
983Q25.8Very low26Very low153 Ų153140.4 Ų140.472%0.71574%0.742SS**  trans56.7143.6140.9-81.1163.6-0.400122.4
984N26.7Very low26.7Very low147 Ų147141.4 Ų141.479%0.78674%0.741SS**  cis-160.7174.6-17.1-123.318.3000111
985P44.8Very low26.9Very low101 Ų101142.2 Ų142.266%0.65675%0.747SS**  trans-117-176-153.644.7-39.8000118.1
986S22.4Very low26.8Very low108 Ų108140.6 Ų140.676%0.75574%0.736SS**  trans87.9119.314272.30000121.6
987V29.4Very low26.9Very low143 Ų143143.5 Ų143.587%0.86774%0.742SS**  trans-142.3145.5137-178.70000107.3
988S21.2Very low26.9Very low97 Ų97139.5 Ų139.568%0.67873%0.728SS**  trans-122.9155.1179.854.30000111.8
989Y27.3Very low27Very low223 Ų223140.7 Ų140.788%0.87573%0.734SS**  trans-150.6157.5158.8-101.3-71.3000111.2
990T24.6Very low27.2Very low116 Ų116142 Ų14271%0.71274%0.742SS**  trans-140.3142.9-152.542.50000115.5
991Q23.2Very low28Very low172 Ų172141.1 Ų141.180%0.80474%0.743SS**  trans54123.6133.9-172-172.154.800120.6
992K27Very low28.3Very low164 Ų164145.1 Ų145.171%0.71376%0.759SS**  trans167.3151.8142.9-93.1151.2-170.5170.70109.9
993F29.4Very low29.1Very low182 Ų182141.2 Ų141.280%0.79876%0.756SS**  cis-139.7165.8-1.5-94.2-66.7000110
994P41.9Very low29.1Very low105 Ų105139.1 Ų139.168%0.68276%0.758SS**  trans-106.7169.6175.540.5-31.8000113.8
995T28.9Very low29.2Very low141 Ų141143.3 Ų143.387%0.86576%0.764SS**  trans-135.4144.3155.9-51.40000109.3
996T24Very low28.3Very low97 Ų97146 Ų14660%0.59577%0.773SS**  trans-121.1143.5-169.1-59.70000111.9
997Y24.9Very low28.4Very low232 Ų232143.8 Ų143.891%0.9177%0.766SS**  trans-140.7158.4151.2-84.1-70.2000110.3
998T25.4Very low28.3Very low107 Ų107148.8 Ų148.866%0.65677%0.771SS**  trans-150.6171.6-157.1-36.40000111.5
999L24.3Very low28.4Very low152 Ų152150.8 Ų150.880%0.79678%0.775SS**  trans81.4145.5174.2-53.5126000113.8
1000T27.6Very low28.3Very low128 Ų128144.9 Ų144.979%0.78576%0.762SS**  cis-152161.27.4-9.40000111.4
1001P40.2Very low28.3Very low106 Ų106150.6 Ų150.669%0.68877%0.77SS**  trans-117.5163-170.741-30.2000116.3
1002H30.9Very low28.4Very low192 Ų192150.8 Ų150.889%0.88978%0.776SS**  trans-171.3170.6147.9-104.5-64.2000110.5
1003P41.8Very low28.2Very low100 Ų100151.6 Ų151.665%0.64978%0.782SS**  trans-137.8171.5-133.941.3-20.6000118.8
1004S25.7Very low27.9Very low108 Ų108146.8 Ų146.876%0.75578%0.776SS**  trans43.9121.3144.6-590000122.2
1005Y28.1Very low27.1Very low236 Ų236147.9 Ų147.993%0.92579%0.786SS**  trans-144.4145.9139.4-123.1-91000111
1006L26.5Very low26.9Very low158 Ų158148.6 Ų148.683%0.82778%0.783SS**  trans-88.5156.6168.1-62.686.9000107.9
1007G24.3Very low27Very low60 Ų60153 Ų15362%0.61980%0.799SS**  cis102.4114.123.800000110.1
1008Y27Very low27Very low248 Ų248148.9 Ų148.997%0.97379%0.793SS**  trans-160.4166.3165.5-96.6-59.9000111.5
1009D24.2Very low28.2Very low140 Ų140149.4 Ų149.475%0.74980%0.798SS**  trans-135.7168.7-162.2-176.323000112
1010T25.3Very low28.3Very low99 Ų99150.8 Ų150.861%0.60780%0.802SS**  trans74.9119.3166.967.80000119.8
1011R23.1Very low28.2Very low235 Ų235149.2 Ų149.289%0.88780%0.802SS**  43120.7129.5-56.8174.5177.9-175.4-1.5119
1012L26.6Very low28Very low177 Ų177152 Ų15293%0.92781%0.809SS**  -152.5162.9126.1-115169.5000112.4
1013H22.3Very low27.8Very low181 Ų181152.6 Ų152.684%0.83880%0.804SS**  trans-81.2159-167.3-106.4-114.2000114.5
1014A22.8Very low27.3Very low81 Ų81156.2 Ų156.267%0.66981%0.812SS**  trans-38.1150.1169.600000117.3
1015S26Very low27.8Very low127 Ų127158.1 Ų158.189%0.88882%0.819SS**  trans-145.2140.3135-79.70000109.7
1016I23.2Very low27.6Very low157 Ų157150.5 Ų150.581%0.80581%0.813SS**  trans-93.7124.8-173.7-64.5167.8000109.1
1017M25.9Very low27.8Very low188 Ų188152.9 Ų152.993%0.92682%0.82SS**  trans-150.9108.1163-122177.5160.300111.7
1018N26.1Very low27.9Very low147 Ų147155.3 Ų155.379%0.78683%0.827SS**  trans-87.4170.1165.8-83.2-31.7000109.7
1019P49.7Very low28Very low117 Ų117151 Ų15176%0.7681%0.813SS**  cis-131.1170-34.536.1-21.4000111.9
1020M26.1Very low28Very low181 Ų181151.9 Ų151.989%0.89282%0.818SS**  trans-129.4137.8163.7-80.4-176.465.600111.3
1021A26.9Very low28Very low95 Ų95154 Ų15479%0.78582%0.815SS**  trans-123.2137.1173.600000110
1022I34.5Very low28Very low164 Ų164146.3 Ų146.384%0.84180%0.798SS**  trans-157.8152.4165.3-99.2144.4000107.2
1023R27.9Very low28.1Very low206 Ų206143.3 Ų143.378%0.77778%0.779SS**  trans-112.9154-173.9-87.3-174.3170.7-1720.1113
1024Q30.2Very low28.2Very low175 Ų175137.3 Ų137.382%0.81877%0.766SS**  trans58.1118.1150.1-76.3-179.9-33.200120.5
1025T36.4Very low28.4Very low148 Ų148138 Ų13891%0.90876%0.762SS**  trans-134.5145.7134.1510000108.1
1026G25.3Very low28.2Very low76 Ų76137 Ų13778%0.78475%0.745SS**  trans-161151.1175.300000112
1027Q30.8Very low28.6Very low208 Ų208134.7 Ų134.797%0.97273%0.733SS**  trans-154.9158.7173.7-108.1171.723.900109.9
1028S26.4Very low28.6Very low112 Ų112128.5 Ų128.578%0.78371%0.708SS**  trans-131.8151.7-170.157.20000111.9
1029K27.7Very low29Very low156 Ų156125.3 Ų125.368%0.67869%0.691SS**  trans-161.4147.1146.6-109.6164.2-165-162.40111.4F1158 H1159K1029-F1158 WeakPolarHBondContact CE-O 3.31Å; K1029-F1158 PolarHBondContact NZ-O 2.88Å; K1029-H1159 WeakPolarHBondContact CE-O 3.48Å; K1029-H1159 PolarHBondContact NZ-O 3.39Å
1030L24.8Very low28Very low160 Ų160122.4 Ų122.484%0.83867%0.672SS**  trans-82.6155.5176.7-66.9144.7000110.2
1031Y24.7Very low27.8Very low142 Ų142115.5 Ų115.556%0.55764%0.636SS**  -144.8150.6122.2-116.2-80.4000111.2N1161Y1031-N1161 VanDerWaalsContact CD2-O 3.3Å; Y1031-N1161 WeakPolarHBondContact CD2-O 3.37Å; Y1031-N1161 WeakPolarHBondContact CE2-O 3.4Å; Y1031-N1161 PolarHBondContact OH-N 3.5Å
1032S24.5Very low27.8Very low75 Ų75119 Ų11952%0.52463%0.63SS.*  trans-79.7151.7175.954.90000111
1033Q27.6Very low27.3Very low113 Ų113112.7 Ų112.753%0.52860%0.599SS.*  -158.677.6109.9-146.363.5-5.600112.7V1035Q1033-V1035 HydrophobicContact CG-CG2 4.13Å; Q1033-V1035 PolarHBondContact O-N 2.99Å
1034G23.9Very low26.9Very low55 Ų55105.9 Ų105.957%0.56758%0.583SS**  trans-75.2104.5150.300000108.5I1036G1034-I1036 WeakPolarHBondContact O-CD1 3.37Å; G1034-I1036 WeakPolarHBondContact O-CG1 3.4Å
1035V27.6Very low26.6Very low96 Ų96102.9 Ų102.958%0.58257%0.572SS**  trans-117.180.9151.1175.50000104Q1033Q1033-V1035 HydrophobicContact CG-CG2 4.13Å; Q1033-V1035 PolarHBondContact O-N 2.99Å
1036I21.8Very low26.2Very low106 Ų106104.1 Ų104.154%0.54457%0.568SS.*  53.690.473-56.8174.5000108.7G1034G1034-I1036 WeakPolarHBondContact O-CD1 3.37Å; G1034-I1036 WeakPolarHBondContact O-CG1 3.4Å
1037I32.7Very low26.2Very low108 Ų108107.1 Ų107.155%0.55457%0.565SS**  35.996.7118.8-52.3166.1000113M37 N1039M37-I1037 HydrophobicContact SD-CG2 3.89Å; I1037-N1039 HydrophobicContact CG2-CB 3.53Å
1038P25.7Very low25.9Very low59 Ų59102.8 Ų102.838%0.38355%0.553SS.*  trans-103.293.3153.241.1-31.7000105.7V30 M33V30-P1038 HydrophobicContact CB-CB 4.44Å; V30-P1038 HydrophobicContact CG1-CB 4.19Å; V30-P1038 HydrophobicContact CG2-CB 4.21Å; M33-P1038 VanDerWaalsContact CB-C 3.42Å; M33-P1038 VanDerWaalsContact CB-CA 3.42Å; M33-P1038 HydrophobicContact CB-CB 3.65Å; M33-P1038 HydrophobicContact CE-CB 4.46Å; M33-P1038 WeakPolarHBondContact CE-O 3.37Å; M33-P1038 VanDerWaalsContact CG-C 3.49Å; M33-P1038 HydrophobicContact CG-CB 3.96Å; M33-P1038 HydrophobicContact SD-CB 3.48Å; M33-P1038 WeakPolarHBondContact SD-CB 3.46Å; M33-P1038 HydrophobicContact SD-CG 4.17Å
1039N33.5Very low25.9Very low80 Ų80103.8 Ų103.843%0.42855%0.548SS..  trans-110.2119.4-179.715855.5000109.8M37 I1037M37-N1039 HydrophobicContact CG-CB 4.16Å; M37-N1039 WeakPolarHBondContact CG-O 3.39Å; M37-N1039 HydrophobicContact SD-CB 3.92Å; I1037-N1039 HydrophobicContact CG2-CB 3.53Å
1040P29.1Very low25.7Very low56 Ų56103.8 Ų103.836%0.36455%0.549SS..  trans-121148.2177.838.7-25.4000113.6M33 S36M33-P1040 HydrophobicContact CB-CB 4.34Å; M33-P1040 HydrophobicContact CE-CG 3.69Å; M33-P1040 HydrophobicContact CG-CB 3.54Å; M33-P1040 HydrophobicContact CG-CG 3.45Å; M33-P1040 VanDerWaalsContact CG-CG 3.45Å; M33-P1040 HydrophobicContact SD-CG 4.35Å; S36-P1040 WeakPolarHBondContact OG-CA 3.48Å
1041R22.3Very low25.8Very low35 Ų3599.8 Ų99.813%0.13253%0.534CS..  trans-75.6164143.1-23.598.1-156.7-174.8-11.5109.5L35 S36 M37 L38 D39 E40 T1043L35-R1041 PolarHBondContact O-NH1 3.42Å; S36-R1041 VanDerWaalsContact CA-NH1 3.32Å; S36-R1041 WeakPolarHBondContact O-CD 3.14Å; S36-R1041 PolarHBondContact O-NE 3.33Å; S36-R1041 PolarHBondContact O-NH1 3.43Å; S36-R1041 VanDerWaalsContact OG-C 3.32Å; S36-R1041 WeakPolarHBondContact OG-CA 3.42Å; S36-R1041 WeakPolarHBondContact OG-CD 3.43Å; S36-R1041 PolarHBondContact OG-N 3.38Å; S36-R1041 PolarHBondContact OG-O 2.98Å; M37-R1041 PolarHBondContact O-NH2 3.2Å; M37-R1041 VanDerWaalsContact O-NH2 3.07Å; L38-R1041 VanDerWaalsContact N-NH1 3.17Å; L38-R1041 VanDerWaalsContact N-NH2 3.15Å; L38-R1041 PolarHBondContact O-NH2 3.06Å; D39-R1041 VanDerWaalsContact CA-NH1 3.34Å; D39-R1041 VanDerWaalsContact CB-NH1 3.29Å; D39-R1041 IonicContact OD1-NH1 2.68Å; D39-R1041 IonicContact OD2-CZ 2.78Å; D39-R1041 IonicContact OD2-NH1 3.88Å; D39-R1041 PolarHBondContact OD2-NH1 3.18Å; E40-R1041 HydrophobicContact CB-CG 3.77Å; E40-R1041 VanDerWaalsContact CB-CZ 3.44Å; E40-R1041 HydrophobicContact CG-CG 4.28Å; R1041-T1043 HydrophobicContact CB-CG2 4.04Å
1042Y25.5Very low26.1Very low170 Ų17099.8 Ų99.867%0.66755%0.549SS*.  -109116.8108.6-87.9-106.5000103.1
1043T24.4Very low26.1Very low30 Ų30100 Ų10018%0.18456%0.562CS.*  55.2131.57476.40000109.4R1041R1041-T1043 HydrophobicContact CB-CG2 4.04Å
1044S21.2Very low26.2Very low64 Ų64101.3 Ų101.345%0.44858%0.579SS.*  51.411285.1129.30000109.9
1045D22.4Very low26.3Very low111 Ų111105.8 Ų105.859%0.59460%0.595SS**  cis-149.8168.59-70.4-67.6000112
1046H29.3Very low26.1Very low175 Ų175109.5 Ų109.581%0.8161%0.606SS**  -173.696.5112.4-79.4-22.4000108.4
1047N24.2Very low26.5Very low138 Ų138110.9 Ų110.974%0.73861%0.614SS**  89.1159.263.3-17126.3000111.9
1048V25.1Very low27.1Very low118 Ų118111.2 Ų111.272%0.71562%0.623SS**  trans82.688.3174.3-167.60000116.3
1049I26.4Very low27Very low133 Ų133113.8 Ų113.868%0.68264%0.638SS**  trans-59.4159.7150.5-63.2159.1000110.1
1050F23.6Very low26.6Very low156 Ų156117.3 Ų117.368%0.68466%0.656SS**  trans148.2113.1140.2-74.7-56.2000110.2L783L783-F1050 HydrophobicContact CD1-CB 3.71Å; L783-F1050 HydrophobicContact CD1-CD1 3.57Å; L783-F1050 HydrophobicContact CD1-CD2 4.12Å; L783-F1050 HydrophobicContact CD1-CE1 4.24Å; L783-F1050 HydrophobicContact CD1-CG 3.52Å
1051S25.7Very low26.4Very low75 Ų75119.4 Ų119.452%0.52467%0.672SS.*  65.28278.1-59.60000112.4
1052T30.8Very low26.6Very low142 Ų142123.8 Ų123.887%0.87170%0.698SS**  68.4105.791.959.70000115.5
1053G24.7Very low26.8Very low79 Ų79124.4 Ų124.481%0.81470%0.704SS**  trans-157.4128.6164.900000110.7
1054T30Very low26.8Very low142 Ų142131.3 Ų131.387%0.87173%0.734SS**  trans-119.8132.2-171.351.90000113.1
1055T26.6Very low27.2Very low148 Ų148131.4 Ų131.491%0.90875%0.745SS**  trans-138.5164.2163.840.50000110.8
1056Q24.4Very low27.4Very low175 Ų175132.7 Ų132.782%0.81876%0.757SS**  trans-120.3146.3-148.9-60.5169.3-31.500115.7
1057L30Very low27.3Very low134 Ų134130.4 Ų130.470%0.70275%0.75SS**  trans63.4170.4147.8-71.5162.8000118.3
1058P43.4Very low27.3Very low115 Ų115132.8 Ų132.875%0.74775%0.75SS**  cis-127.4157.9-922.41.1000117.4
1059T24.7Very low27.3Very low113 Ų113131.7 Ų131.769%0.69375%0.748SS**  trans-24.7150.816152.90000124.8
1060L24.3Very low27.3Very low155 Ų155133.1 Ų133.181%0.81275%0.754SS**  106.4145.2126.7-90.4164.9000124.3
1061S26.3Very low27.4Very low100 Ų100135.7 Ų135.770%0.69976%0.759SS**  trans82.6147.4158.784.60000119.5
1062N26.4Very low27.4Very low127 Ų127143 Ų14368%0.67978%0.775SS**  cis-170.4154.2-16.5-113.9-14.8000114.8
1063F29.1Very low27.1Very low182 Ų182140.4 Ų140.480%0.79877%0.768SS**  trans59.2171.5163-63.3-71.4000121
1064H25.2Very low27Very low176 Ų176144.8 Ų144.882%0.81577%0.767SS**  -170.3141.8-61.3-139.4-55000113.6
1065G29.1Very low27.1Very low65 Ų65144.5 Ų144.567%0.6776%0.76SS**  trans159.9153.3163.600000114.2
1066V26.3Very low27Very low139 Ų139144.9 Ų144.984%0.84276%0.757SS**  cis108.1133.1-1.3174.80000116.3
1067D26.3Very low28Very low126 Ų126142 Ų14267%0.67475%0.753SS**  cis-172.2178.7-27.3-164.67000111.6
1068Y24.7Very low27.9Very low189 Ų189141.7 Ų141.774%0.74176%0.763SS**  trans88.995.5155.6-77.4-74.2000125.6
1069S26Very low27.2Very low95 Ų95145.2 Ų145.266%0.66477%0.766SS**  59.8136.7119.1740000127.4
1070M24.9Very low27.3Very low163 Ų163145.9 Ų145.980%0.80377%0.77SS**  trans155.8122.4133.6-80.2-90-162.100112.2
1071R26.6Very low27.3Very low209 Ų209143.6 Ų143.679%0.78976%0.763SS**  65.2144.388.5-69.1-168.2-178.3-152.51.6117.7
1072R25.4Very low27.3Very low229 Ų229149.8 Ų149.886%0.86477%0.772SS**  cis-176.8148.7-18.8-168.6-169.8-167.1-157.85.5112
1073A23.7Very low27.4Very low88 Ų88150 Ų15073%0.72777%0.773SS**  trans75.5161.6163.600000117.9
1074Q23.6Very low27.4Very low171 Ų171146.7 Ų146.780%0.79976%0.764SS**  cis-157.9173.111.9-152.3176.5-30.500113
1075N31.1Very low27.7Very low135 Ų135142.2 Ų142.272%0.72276%0.758SS**  trans77152.4164.9-52.5-13.2000118.7
1076D24.8Very low27.7Very low157 Ų157145.2 Ų145.284%0.8476%0.763SS**  cis-161.2158.5-41.4-141.327.5000109.5
1077P46.2Very low27.8Very low114 Ų114144.2 Ų144.274%0.7476%0.757SS**  trans-110.5149.5-163.739.1-33.5000117.5
1078S28.7Very low27.7Very low128 Ų128144.5 Ų144.590%0.89576%0.764SS**  trans-159.6143.5149.557.20000112.1
1079K27.5Very low27.7Very low188 Ų188146.5 Ų146.582%0.81777%0.77SS**  trans-162.6122.7179.2-163.3175.7-173.8178.70111.8
1080T28.1Very low27.6Very low128 Ų128148 Ų14879%0.78578%0.776SS**  trans-144.6121.3173.335.80000108.2
1081T24.2Very low27.6Very low107 Ų107146.8 Ų146.866%0.65677%0.771SS**  83.1111.884.3-55.90000112.9
1082Y25.8Very low27.6Very low229 Ų229141.9 Ų141.990%0.89877%0.768SS**  trans-156.5126.4132.3-116.7-72.4000110.8
1083D27.9Very low27.6Very low131 Ų131133.5 Ų133.570%0.70175%0.754SS**  trans-81.6161.7175.5-61.7-81.5000111.9
1084N30.2Very low28Very low113 Ų113134.2 Ų134.260%0.60475%0.749SS**  trans-143.3126.4153.5-104.4-63.1000111.2Q1219N1084-Q1219 HydrophobicContact CB-CB 4.24Å; N1084-Q1219 VanDerWaalsContact CB-CD 3.42Å; N1084-Q1219 HydrophobicContact CB-CG 4.02Å; N1084-Q1219 VanDerWaalsContact CG-CD 3.49Å; N1084-Q1219 PolarHBondContact ND2-NE2 3.36Å; N1084-Q1219 PolarHBondContact ND2-OE1 2.8Å
1085A30.6Very low28.2Very low83 Ų83135 Ų13569%0.68675%0.753SS**  trans-133.3132.7-176.100000110.6
1086V28.9Very low28.1Very low127 Ų127133.3 Ų133.377%0.7774%0.743SS**  trans-102135.4170.9178.70000108.1E1224V1086-E1224 WeakPolarHBondContact CG1-OE1 3.23Å
1087T29.3Very low28.4Very low118 Ų118132.9 Ų132.972%0.72474%0.741SS**  trans-117.3124.9-162.9-64.30000112.8
1088T22.5Very low27.7Very low132 Ų132132.5 Ų132.581%0.8173%0.732SS**  trans-79.4132.9171.146.20000112.6
1089R25.6Very low28Very low231 Ų231129.1 Ų129.187%0.87272%0.718SS**  trans-146.6130.8149.8-74.4-160.9178.1-159.6-1.4108.7
1090T23.5Very low28Very low128 Ų128128 Ų12879%0.78572%0.721SS**  cis95.891.143.6-59.80000112.9
1091I24.5Very low28.2Very low137 Ų137127.8 Ų127.870%0.70372%0.72SS**  trans-156.6138.5164.8-62.3-174.4000105.3
1092S26.9Very low28.6Very low105 Ų105131.7 Ų131.773%0.73473%0.731SS**  cis-164.4173.5-21.1-90.10000108.3
1093G25.9Very low28.7Very low54 Ų54126.6 Ų126.656%0.55773%0.727SS**  trans-77.5-168.8157.500000112.3
1094T31.7Very low29Very low103 Ų103126.3 Ų126.363%0.63273%0.73SS**  cis-141.3178.88.549.40000111.5D1096T1094-D1096 PolarHBondContact OG1-OD2 3.42Å
1095Q28.8Very low29.4Very low188 Ų188126.2 Ų126.288%0.87973%0.73SS**  trans-111123.7175.8167.5-175.2-19.400108.8
1096D28.5Very low29.8Very low98 Ų98127.4 Ų127.452%0.52473%0.733SS.*  trans-151.6170.4178-73.6-64.9000110.9T1094 S1235T1094-D1096 PolarHBondContact OG1-OD2 3.42Å; D1096-S1235 WeakPolarHBondContact CB-OG 3.32Å; D1096-S1235 WeakPolarHBondContact OD2-CB 3.48Å; D1096-S1235 PolarHBondContact OD2-OG 2.65Å
1097D31.1Very low30.3Very low148 Ų148124.6 Ų124.679%0.79172%0.719SS**  trans58.2100.5168.7-69.9-12.3000121
1098L32.3Very low31.3Very low106 Ų106125.7 Ų125.756%0.55572%0.716SS**  -139.9122.2124.7-90.1177.9000108.4T972T972-L1098 HydrophobicContact CG2-CD1 3.81Å
1099G33.9Very low32.4Very low58 Ų58128.9 Ų128.960%0.59871%0.713SS**  trans-96.8-178.3-161.200000117.4
1100N28.4Very low33.3Very low164 Ų164123.4 Ų123.488%0.87770%0.697SS**  trans-62.8145.5-176.9-61.5-22.4000113.5
1101T31.8Very low34.8Very low124 Ų124121.8 Ų121.876%0.76168%0.684SS**  trans-130.8128.5151.639.60000109.2
1102E32.4Very low36.3Very low189 Ų189121.8 Ų121.888%0.88368%0.681SS**  trans-84.5136.7-177.7-57.6169.9116.300110.8
1103C27.8Very low37.4Very low121 Ų121125.9 Ų125.982%0.81868%0.68SS**  trans-167.9106.1149.5-102.40000112.7
1104T35.2Very low38.3Very low126 Ų126128.2 Ų128.277%0.77368%0.675SS**  trans32.3111.7134.242.50000120.9
1105D37.4Very low39.5Very low111 Ų111133.3 Ų133.359%0.59468%0.683SS**  trans41.396137-162.79.8000119.5S1107D1105-S1107 WeakPolarHBondContact OD1-CB 3.27Å; D1105-S1107 PolarHBondContact OD1-N 3.37Å; D1105-S1107 PolarHBondContact OD1-OG 2.99Å
1106S38.8Very low40.9Very low107 Ų107128.2 Ų128.275%0.74867%0.668SS**  trans-105.29159.5-67.20000113.3Q1108 R1109S1106-Q1108 PolarHBondContact O-N 3.09Å; S1106-R1109 PolarHBondContact O-N 2.9Å
1107S41.2Very low41.7Very low68 Ų68128.3 Ų128.348%0.47667%0.667SS.*Hα-helixtrans-67.3-33.1-167.772.50000113.5D1105 R1109 E1110 N1111D1105-S1107 WeakPolarHBondContact OD1-CB 3.27Å; D1105-S1107 PolarHBondContact OD1-N 3.37Å; D1105-S1107 PolarHBondContact OD1-OG 2.99Å; S1107-R1109 PolarHBondContact O-N 3.42Å; S1107-E1110 PolarHBondContact O-N 3.43Å; S1107-N1111 PolarHBondContact O-N 3.28Å; S1107-N1111 PolarHBondContact O-ND2 2.99Å
1108Q49.4Very low42.4Very low142 Ų142128.7 Ų128.766%0.66466%0.662SS**Hα-helixtrans-62.3-42.1-179.9-65.3-164.4-54.500112.5S1106 E1110 N1111 E1112S1106-Q1108 PolarHBondContact O-N 3.09Å; Q1108-E1110 VanDerWaalsContact C-N 3.29Å; Q1108-E1110 PolarHBondContact O-N 3.21Å; Q1108-N1111 PolarHBondContact O-N 3.31Å; Q1108-N1111 VanDerWaalsContact O-N 3.17Å; Q1108-E1112 PolarHBondContact O-N 3.46Å; Q1108-E1112 VanDerWaalsContact O-N 3.08Å
1109R46.2Very low43.5Very low199 Ų199125.8 Ų125.875%0.75166%0.658SS**Hα-helixtrans-64.9-29.4-176.9-86.5-173.6169.8-177.1-0.7113.9S1106 S1107 R1113S1106-R1109 PolarHBondContact O-N 2.9Å; S1107-R1109 PolarHBondContact O-N 3.42Å; R1109-R1113 PolarHBondContact O-N 3.09Å
1110E44.5Very low44.3Very low115 Ų115127.1 Ų127.154%0.53766%0.655SS.*Hα-helixtrans-77.9-34.7176.5-157.1178.9126.700111.7S1107 Q1108 E1112 R1113 K1114S1107-E1110 PolarHBondContact O-N 3.43Å; Q1108-E1110 VanDerWaalsContact C-N 3.29Å; Q1108-E1110 PolarHBondContact O-N 3.21Å; E1110-E1112 PolarHBondContact O-N 2.99Å; E1110-R1113 PolarHBondContact O-N 3.19Å; E1110-K1114 HydrophobicContact CG-CD 4.48Å; E1110-K1114 WeakPolarHBondContact O-CB 3.29Å; E1110-K1114 WeakPolarHBondContact O-CG 3.34Å; E1110-K1114 PolarHBondContact O-N 2.86Å; E1110-K1114 WeakPolarHBondContact OE1-CE 3.41Å; E1110-K1114 IonicContact OE1-NZ 2.69Å; E1110-K1114 PolarHBondContact OE1-NZ 3.12Å
1111N54.5Low44.7Very low95 Ų95123 Ų12351%0.50863%0.632SS.*Hα-helixtrans-65.6-35.8174-75.7-40.1000112.6S1107 Q1108 K1114 R1115S1107-N1111 PolarHBondContact O-N 3.28Å; S1107-N1111 PolarHBondContact O-ND2 2.99Å; Q1108-N1111 PolarHBondContact O-N 3.31Å; Q1108-N1111 VanDerWaalsContact O-N 3.17Å; N1111-K1114 PolarHBondContact O-N 3.38Å; N1111-R1115 PolarHBondContact O-N 3.27Å
1112E56.4Low45.2Very low136 Ų136119.9 Ų119.964%0.63663%0.625SS**Hα-helixtrans-65.2-43.9172.4-69.1-177.4136.100112.2Q1108 E1110 K1114 R1115 S1116Q1108-E1112 PolarHBondContact O-N 3.46Å; Q1108-E1112 VanDerWaalsContact O-N 3.08Å; E1110-E1112 PolarHBondContact O-N 2.99Å; E1112-K1114 PolarHBondContact O-N 3.06Å; E1112-R1115 PolarHBondContact O-N 3.3Å; E1112-S1116 PolarHBondContact O-N 3.22Å
1113R48.6Very low45.8Very low191 Ų191121.2 Ų121.272%0.72162%0.622SS**Hα-helixtrans-60-45.2173.3-74.3-172.6177.7-142.1-0.7111.8R1109 E1110 R1115 S1116 I1117R1109-R1113 PolarHBondContact O-N 3.09Å; E1110-R1113 PolarHBondContact O-N 3.19Å; R1113-R1115 PolarHBondContact O-N 2.89Å; R1113-S1116 PolarHBondContact O-N 3.02Å; R1113-I1117 WeakPolarHBondContact O-CG1 3.45Å; R1113-I1117 PolarHBondContact O-N 2.67Å; R1113-I1117 VanDerWaalsContact O-N 3.08Å
1114K46.2Very low46.4Very low104 Ų104122 Ų12245%0.45262%0.616SS.*Hα-helixtrans-62.6-40.4178.4-73.8172-178.1170.40112.2E1110 N1111 E1112 I1117 F1118E1110-K1114 HydrophobicContact CG-CD 4.48Å; E1110-K1114 WeakPolarHBondContact O-CB 3.29Å; E1110-K1114 WeakPolarHBondContact O-CG 3.34Å; E1110-K1114 PolarHBondContact O-N 2.86Å; E1110-K1114 WeakPolarHBondContact OE1-CE 3.41Å; E1110-K1114 IonicContact OE1-NZ 2.69Å; E1110-K1114 PolarHBondContact OE1-NZ 3.12Å; N1111-K1114 PolarHBondContact O-N 3.38Å; E1112-K1114 PolarHBondContact O-N 3.06Å; K1114-I1117 PolarHBondContact O-N 3.21Å; K1114-F1118 PolarHBondContact O-N 3Å; K1114-F1118 VanDerWaalsContact O-N 3.08Å
1115R56.6Low46.4Very low210 Ų210123.9 Ų123.979%0.79261%0.613SS**Hα-helixtrans-63.6-40.8173.5-78.9-173.6174.4-130.1-0.4113N1111 E1112 R1113 G1119N1111-R1115 PolarHBondContact O-N 3.27Å; E1112-R1115 PolarHBondContact O-N 3.3Å; R1113-R1115 PolarHBondContact O-N 2.89Å; R1115-G1119 PolarHBondContact O-N 3.23Å
1116S57.4Low46.1Very low81 Ų81127.5 Ų127.557%0.56662%0.623SS**Hα-helixtrans-62.7-43.8177.5-172.40000112.5E1112 R1113 G1119 T1120E1112-S1116 PolarHBondContact O-N 3.22Å; R1113-S1116 PolarHBondContact O-N 3.02Å; S1116-G1119 PolarHBondContact O-N 3.43Å; S1116-T1120 PolarHBondContact O-N 3.37Å; S1116-T1120 PolarHBondContact O-OG1 3.44Å
1117I45.3Very low45.6Very low100 Ų100133.7 Ų133.751%0.51363%0.63SS.*Hα-helixtrans-64.7-48.9178.3-66.9165.2000111R1113 K1114 G1119 T1120 L1121R1113-I1117 WeakPolarHBondContact O-CG1 3.45Å; R1113-I1117 PolarHBondContact O-N 2.67Å; R1113-I1117 VanDerWaalsContact O-N 3.08Å; K1114-I1117 PolarHBondContact O-N 3.21Å; I1117-G1119 PolarHBondContact O-N 3.39Å; I1117-T1120 WeakPolarHBondContact O-CB 3.16Å; I1117-T1120 PolarHBondContact O-N 2.97Å; I1117-T1120 VanDerWaalsContact O-N 3.14Å; I1117-L1121 HydrophobicContact CG2-CD1 4.1Å; I1117-L1121 PolarHBondContact O-N 2.78Å; I1117-L1121 VanDerWaalsContact O-N 3.08Å
1118F46.4Very low45.3Very low155 Ų155136.2 Ų136.268%0.6865%0.645SS**Hα-helixtrans-64.9-36.6178.1-94.2-85.6000113.3K1114 T1120 L1121 G1122K1114-F1118 PolarHBondContact O-N 3Å; K1114-F1118 VanDerWaalsContact O-N 3.08Å; F1118-T1120 PolarHBondContact O-N 3.02Å; F1118-L1121 PolarHBondContact O-N 3.37Å; F1118-G1122 PolarHBondContact O-N 3.08Å
1119G55.2Low44.3Very low46 Ų46136.9 Ų136.947%0.47465%0.653SS.*Hα-helixtrans-64.4-20.6174.600000114.2R1115 S1116 I1117R1115-G1119 PolarHBondContact O-N 3.23Å; S1116-G1119 PolarHBondContact O-N 3.43Å; I1117-G1119 PolarHBondContact O-N 3.39Å
1120T50.5Low43.6Very low86 Ų86132.9 Ų132.953%0.52865%0.653SS.*Hα-helixtrans-85.7-50.3174.8-53.50000110.7S1116 I1117 F1118 G1122 R1123S1116-T1120 PolarHBondContact O-N 3.37Å; S1116-T1120 PolarHBondContact O-OG1 3.44Å; I1117-T1120 WeakPolarHBondContact O-CB 3.16Å; I1117-T1120 PolarHBondContact O-N 2.97Å; I1117-T1120 VanDerWaalsContact O-N 3.14Å; F1118-T1120 PolarHBondContact O-N 3.02Å; T1120-G1122 VanDerWaalsContact C-N 3.28Å; T1120-G1122 PolarHBondContact O-N 3.02Å; T1120-R1123 PolarHBondContact O-N 3.47Å; T1120-R1123 VanDerWaalsContact O-N 3.08Å
1121L37.1Very low42.9Very low76 Ų76134.1 Ų134.140%0.39867%0.668SS.*Hα-helixtrans-57.9-37176.3-88.8156.6000113I1117 F1118 R1123 M1124 F1125I1117-L1121 HydrophobicContact CG2-CD1 4.1Å; I1117-L1121 PolarHBondContact O-N 2.78Å; I1117-L1121 VanDerWaalsContact O-N 3.08Å; F1118-L1121 PolarHBondContact O-N 3.37Å; L1121-R1123 PolarHBondContact O-N 2.93Å; L1121-R1123 VanDerWaalsContact O-N 3.09Å; L1121-M1124 PolarHBondContact O-N 3.47Å; L1121-F1125 HydrophobicContact CD2-CE2 4.05Å
1122G41.9Very low41.7Very low60 Ų60136.9 Ų136.962%0.61968%0.683SS**Hα-helixtrans-60.8-16.4176.600000115.1F1118 T1120F1118-G1122 PolarHBondContact O-N 3.08Å; T1120-G1122 VanDerWaalsContact C-N 3.28Å; T1120-G1122 PolarHBondContact O-N 3.02Å
1123R46.6Very low40.4Very low217 Ų217137.2 Ų137.282%0.81969%0.694SS**Hα-helixtrans-89.6-20.7173.2-59.9-172.1-168.1-124.14.4113.5T1120 L1121T1120-R1123 PolarHBondContact O-N 3.47Å; T1120-R1123 VanDerWaalsContact O-N 3.08Å; L1121-R1123 PolarHBondContact O-N 2.93Å; L1121-R1123 VanDerWaalsContact O-N 3.09Å
1124M40.2Very low39.4Very low138 Ų138133.4 Ų133.468%0.6869%0.692SS**Hα-helixtrans-80.2-26-175.5-69.1178.963.600113.7L1121L1121-M1124 PolarHBondContact O-N 3.47Å
1125F33.8Very low38.4Very low165 Ų165135.7 Ų135.772%0.72471%0.709SS**  trans-106.517.8-171-72.9-76.9000115.3L1121 R1127L1121-F1125 HydrophobicContact CD2-CE2 4.05Å; F1125-R1127 PolarHBondContact O-N 2.89Å
1126K32Very low37.2Very low186 Ų186131.5 Ų131.581%0.80971%0.712SS**  trans-85.686.5172.2-155.3174.5-171.2-1780110.3P1128K1126-P1128 WeakPolarHBondContact O-CD 3.4Å
1127R27.7Very low35.6Very low237 Ų237136.4 Ų136.489%0.89473%0.726SS**PPolyproline II helixtrans-51.4125.4179.7-73.8-174.5174-170-1.6111.7F1125F1125-R1127 PolarHBondContact O-N 2.89Å
1128P34.6Very low34.7Very low121 Ų121139 Ų13979%0.78674%0.741SS**PPolyproline II helixtrans-69.1153.5166.5-1832.6000111.7K1126K1126-P1128 WeakPolarHBondContact O-CD 3.4Å
1129N28.2Very low33.8Very low156 Ų156140.6 Ų140.683%0.83475%0.751SS**PPolyproline II helixtrans-77138.8176.9-130.713.3000110.5
1130P31.3Very low32.7Very low115 Ų115144 Ų14475%0.74776%0.762SS**PPolyproline II helixtrans-77.7141.6-177.431.4-34.4000112.4
1131V31.6Very low31.4Very low141 Ų141149.5 Ų149.586%0.85578%0.782SS**  trans-135.2140.8169.2-177.30000108.1
1132N28.1Very low31.1Very low153 Ų153150.3 Ų150.382%0.81879%0.794SS**  trans-68.4149.6-170.4-61.8-30.2000113.9
1133V29Very low30.6Very low143 Ų143154.2 Ų154.287%0.86781%0.806SS**  175.3148.6108.9153.10000110.3
1134T28.2Very low29.5Very low112 Ų112151.2 Ų151.269%0.68781%0.806SS**  trans-89.6148.2-179.547.60000113.3
1135N25.5Very low28.8Very low151 Ų151154.1 Ų154.181%0.80781%0.814SS**  167.5171.8123.7-89.5-23.7000115.4
1136S30.5Very low28.4Very low122 Ų122151.9 Ų151.985%0.85382%0.819SS**  trans69.185.6164.154.30000118.5
1137Q23.6Very low28.2Very low184 Ų184149.3 Ų149.386%0.8682%0.819SS**  trans-98.4124.5151.1172174.1-16.700108.4
1138N26.7Very low28Very low154 Ų154142.1 Ų142.182%0.82481%0.81SS**  trans177.4147155.5-99.5-34.6000112.2
1139Q26.7Very low27.6Very low189 Ų189141.9 Ų141.988%0.88381%0.811SS**  trans66.4144.1-178.4-48.9179.722.700113.5
1140V32.4Very low27.6Very low119 Ų119139.3 Ų139.372%0.72181%0.805SS**  cis-122.412014.8178.10000111.1S1142V1140-S1142 WeakPolarHBondContact CG1-OG 3.42Å
1141E23.7Very low27.2Very low200 Ų200141.4 Ų141.494%0.93581%0.81SS**  trans-125.178.6172.4-170.4175.4-143.800109.4
1142S31Very low27Very low94 Ų94144 Ų14466%0.65781%0.813SS**  trans-15343.7-172.570.90000114.7V1140V1140-S1142 WeakPolarHBondContact CG1-OG 3.42Å
1143T31.5Very low27Very low141 Ų141145.5 Ų145.587%0.86582%0.815SS**  trans-127.163175.5-44.80000111.1
1144L22.5Very low27.4Very low155 Ų155144.2 Ų144.281%0.81281%0.81SS**  trans-129.7140.7177.9-97.5170.9000111.9
1145K25.7Very low27.7Very low198 Ų198144.1 Ų144.186%0.86181%0.811SS**  trans69.681.5161.5-61.4175-180175.50118.8
1146S25.5Very low27.5Very low118 Ų118144.4 Ų144.483%0.82581%0.812SS**  trans-160.7138.5142.5-163.40000106.7
1147V28.8Very low27.2Very low132 Ų132148.4 Ų148.480%0.881%0.808SS**  cis-134.615427.31710000111.1
1148A24.1Very low27.1Very low86 Ų86145.8 Ų145.871%0.71179%0.794SS**  trans-138.2173.4164.200000111.1
1149S26Very low27Very low116 Ų116145 Ų14581%0.81179%0.785SS**  trans88159.2173.4-60.90000119.5
1150S28.4Very low26.9Very low102 Ų102139.9 Ų139.971%0.71377%0.77SS**  trans67.7115.1-168.372.70000115.3
1151N21.7Very low26.5Very low159 Ų159139.6 Ų139.685%0.8577%0.765SS**  cis80.492.70.4-139.820000118.2
1152Q28.2Very low26.7Very low196 Ų196136.7 Ų136.792%0.91675%0.751SS**  trans179.9151.3142.5-100.9168.114.300113.3
1153Q27.5Very low26.2Very low184 Ų184137.8 Ų137.886%0.8675%0.749SS**  trans-99.1-174.2167.6-67179.5-2500109.4
1154P37.4Very low26Very low116 Ų116136.6 Ų136.675%0.75374%0.742SS**  cis-133.4-143.74.445.4-24.2000111.2
1155P33.6Very low26.2Very low111 Ų111137.7 Ų137.772%0.72174%0.742SS**  cis-134.2163.9-1738.6-19.9000118.5
1156L21.5Very low26.4Very low156 Ų156133.9 Ų133.982%0.81774%0.738SS**  trans-24.3148.1159.2-43.7166.3000121.5
1157R24.5Very low26.4Very low206 Ų206133 Ų13378%0.77773%0.732SS**  143.5118.9118.2-83.6-166.9163-162.4-5.4118.7
1158F21.9Very low26.2Very low129 Ų129129.9 Ų129.957%0.56672%0.715SS**  trans67.4159.4132.4-69.3-47.1000126K1029K1029-F1158 WeakPolarHBondContact CE-O 3.31Å; K1029-F1158 PolarHBondContact NZ-O 2.88Å
1159H25.3Very low26.2Very low138 Ų138131.1 Ų131.164%0.63971%0.706SS**  trans73.6108.8173.2-50.7-64.7000115.3K1029K1029-H1159 WeakPolarHBondContact CE-O 3.48Å; K1029-H1159 PolarHBondContact NZ-O 3.39Å
1160S22.9Very low25.9Very low81 Ų81134.1 Ų134.157%0.56670%0.701SS**  cis87.8111.437.3-54.50000113.8
1161N25.8Very low25.7Very low114 Ų114137.2 Ų137.261%0.6170%0.704SS**  trans162.8134166.6-89.7-15000106.8Y1031Y1031-N1161 VanDerWaalsContact CD2-O 3.3Å; Y1031-N1161 WeakPolarHBondContact CD2-O 3.37Å; Y1031-N1161 WeakPolarHBondContact CE2-O 3.4Å; Y1031-N1161 PolarHBondContact OH-N 3.5Å
1162Q26.8Very low25.7Very low138 Ų138135.2 Ų135.265%0.64570%0.697SS**  cis-176.6133.6-4-121174.168.200104.1
1163L21.3Very low25.5Very low117 Ų117136.3 Ų136.361%0.61370%0.695SS**  trans-103130.6167-81.9156.6000107.8
1164T27.7Very low25.3Very low117 Ų117134.2 Ų134.272%0.71869%0.689SS**  trans-147.9139.7173.2410000110.7
1165H26.4Very low24.7Very low177 Ų177136.3 Ų136.382%0.81969%0.693SS**  trans-83.2164.5-175.1-63.4-108.3000113
1166P29.2Very low24.2Very low118 Ų118135.9 Ų135.977%0.76669%0.69SS**  -125.5144.2109.336.2-30.9000111.3
1167S25.1Very low24.3Very low101 Ų101137.2 Ų137.271%0.70669%0.692SS**  cis76.3106.142.6-56.20000113.7
1168C24.3Very low24.2Very low66 Ų66132.2 Ų132.245%0.44669%0.689SS.*  trans-168.358.8156.3-107.70000115.6V23 S24 A25V23-C1168 HydrophobicContact CG1-CB 4.24Å; V23-C1168 VanDerWaalsContact CG1-SG 3.51Å; S24-C1168 WeakPolarHBondContact CA-O 3.3Å; A25-C1168 PolarHBondContact N-O 3.25Å
1169Q23.7Very low24.2Very low111 Ų111131.6 Ų131.652%0.51970%0.695SS.*  trans63128.5133.2-60.7173.8-105.400120.7S24 A25 D26S24-Q1169 CarbonylContact C-O 3.52Å; S24-Q1169 WeakPolarHBondContact CA-O 3.28Å; S24-Q1169 WeakPolarHBondContact CB-O 3.22Å; S24-Q1169 PolarHBondContact OG-O 3.05Å; A25-Q1169 PolarHBondContact N-O 2.9Å; D26-Q1169 PolarHBondContact OD1-N 2.94Å; D26-Q1169 VanDerWaalsContact OD2-C 3.27Å
1170Y20.7Very low24.2Very low179 Ų179130 Ų13070%0.70270%0.7SS**  0.7136.3123.3-63.3-92.2000116.6S24 D26S24-Y1170 WeakPolarHBondContact CB-O 3.29Å; S24-Y1170 PolarHBondContact OG-O 3.06Å; D26-Y1170 PolarHBondContact OD2-N 2.75Å
1171Q24.5Very low24.2Very low168 Ų168132.9 Ų132.979%0.78571%0.714SS**  -169.5152.881.1-134.7157.730.200113.8
1172V20.8Very low24.1Very low116 Ų116135 Ų13570%0.70372%0.72SS**  trans-88.1129.6175.5173.30000110.4
1173Y24.4Very low23.8Very low220 Ų220139.5 Ų139.586%0.86373%0.731SS**  trans-94.8105.3163.3-91.7-79.2000111
1174N23.5Very low24Very low139 Ų139138.6 Ų138.674%0.74373%0.734SS**  trans-74.6128.3166.9-72.9-38.2000110.2
1175I25.2Very low23.9Very low161 Ų161140.6 Ų140.683%0.82674%0.74SS**  trans-128.2111.4152.4-60.4-176.7000107.3
1176P23.2Very low23.8Very low101 Ų101138.7 Ų138.766%0.65673%0.732SS**  trans-82.6162.1-177.334.2-35.7000112.7
1177Q23.7Very low23.5Very low185 Ų185141.9 Ų141.986%0.86473%0.729SS**  trans15.3124.7145.7-56.4174.8-6.800118
1178S22Very low23.4Very low101 Ų101143.9 Ų143.971%0.70673%0.731SS**  166.417196.9700000114.8
1179T22.5Very low23.7Very low115 Ų115152.8 Ų152.871%0.70676%0.756SS**  trans58.793.5153.851.20000119.9
1180S23.7Very low23.6Very low106 Ų106155.7 Ų155.774%0.74177%0.774SS**  30.3111.4111.8-172.90000118.1
1181V23.9Very low23.7Very low141 Ų141150.9 Ų150.986%0.85577%0.771SS**  trans-131113.7151.6-179.10000110.3
1182H22.9Very low23.7Very low159 Ų159150.2 Ų150.274%0.73677%0.773SS**  trans-36.8139.7163.6-75.2-103.1000115.4
1183R22.3Very low23.9Very low231 Ų231151.3 Ų151.387%0.87278%0.78SS**  -170.7121109.7-98.3159.5-171.1-141.7-0.2109.7
1184S25.1Very low23.8Very low98 Ų98146.3 Ų146.369%0.68577%0.772SS**  69.4101.8105-55.80000112
1185D24.6Very low23.7Very low159 Ų159150.5 Ų150.585%0.8578%0.779SS**  60.8150.575.1-84.9-51.5000114.5
1186E23.9Very low23.6Very low137 Ų137148 Ų14864%0.6478%0.776SS**  trans81.8136.5177-51.3-164168.400116.3
1187R23.7Very low23.7Very low186 Ų186148.2 Ų148.270%0.70278%0.78SS**  cis-156.1140.4-6-121.6166.6-169.2145.28.2112.7
1188N23.4Very low23.7Very low142 Ų142147.3 Ų147.376%0.75978%0.775SS**  trans24.2117.1142.1-59.8-8.3000119.5
1189R29.2Very low23.7Very low253 Ų253149.7 Ų149.796%0.95578%0.78SS**  trans-149.978.1136.9-112.4168.2-161.5-151.82.4112.5
1190L21.9Very low23.8Very low172 Ų172150 Ų15090%0.90179%0.787SS**  trans-72.1145.3156.5-75.6164.1000109.7
1191A23Very low23.7Very low78 Ų78148.1 Ų148.165%0.64579%0.785SS**  154.9144.1118.100000113.2
1192N24Very low23.6Very low154 Ų154151 Ų15182%0.82479%0.786SS**  trans70.4147.4168.2-48.8-28.2000115
1193V26.3Very low23.6Very low140 Ų140147.9 Ų147.985%0.84878%0.782SS**  cis-123.9156.918174.20000112.5
1194V21.6Very low23.6Very low114 Ų114143.3 Ų143.369%0.69178%0.775SS**  trans-75.3143-179.5166.30000113
1195Y20.8Very low23.6Very low227 Ų227145 Ų14589%0.8978%0.775SS**  -153130.7127.2-107.4-70.8000111.4
1196S24.4Very low23.7Very low110 Ų110143.6 Ų143.677%0.76977%0.772SS**  trans-137127.2172.21690000107.3
1197S25.1Very low23.7Very low105 Ų105144.5 Ų144.573%0.73478%0.776SS**  trans-152.2149.4170.4-1100000110.3
1198Q24.3Very low23.7Very low166 Ų166143.9 Ų143.978%0.77678%0.779SS**  trans-63.9145.9-174.8-64.6119.5-53.700114.4
1199D21.2Very low23.8Very low151 Ų151144 Ų14481%0.80778%0.779SS**  trans13.5116.1133.7-54.1-59.1000118.6
1200S24.1Very low23.5Very low120 Ų120143.1 Ų143.184%0.83978%0.776SS**  trans-146.870138.541.40000109.2
1201G21.7Very low23.5Very low68 Ų68142.1 Ų142.170%0.70177%0.771SS**  trans-75.2124.6178.600000112.2
1202F22.7Very low23.7Very low202 Ų202145 Ų14589%0.88678%0.78SS**  trans-141.297.5160.5-94.4-71.2000111.8
1203S22.2Very low23.6Very low92 Ų92146.9 Ų146.964%0.64378%0.777SS**  trans43.2119.5137.9-52.50000122
1204N23.1Very low23.6Very low136 Ų136146.1 Ų146.173%0.72778%0.775SS**  77.4114129.8-61.6-6.3000119.3
1205I24.5Very low23.8Very low134 Ų134147.8 Ų147.869%0.68778%0.78SS**  71.1118.997-63.6161000111.9
1206T26.8Very low24.1Very low129 Ų129143.9 Ų143.979%0.79177%0.774SS**  -159.8158.267.8-32.10000114.8
1207H24.6Very low24.2Very low155 Ų155147.6 Ų147.672%0.71878%0.777SS**  trans-54.4168.9-176.4-66.4-118.8000121.4
1208F23.5Very low24.3Very low174 Ų174147.7 Ų147.776%0.76378%0.778SS**  trans117101.4133.2-94.4-64.7000121.3
1209N25.8Very low24.3Very low144 Ų144145.2 Ų145.277%0.7777%0.766SS**  trans27.9128.7146.9-60.6-0.3000122.6
1210R22.8Very low24.5Very low235 Ų235148.4 Ų148.489%0.88777%0.768SS**  -143.8139.1126.3-176.1159.4-74.2-125.6-5.3112.1
1211L21.7Very low24.6Very low150 Ų150150 Ų15079%0.78576%0.762SS**PPolyproline II helixtrans-52.8137.9176.7-64.9147.8000112.6
1212V26.2Very low24.9Very low139 Ų139152.8 Ų152.884%0.84277%0.765SS**PPolyproline II helixtrans-101.7123.31751770000109.3
1213Y21.7Very low25.1Very low194 Ų194151.3 Ų151.376%0.76176%0.761SS**PPolyproline II helixtrans-70.1140.9174.1-82.4-104.5000110.9N1215Y1213-N1215 PolarHBondContact O-N 3.06Å
1214P27.2Very low25.3Very low124 Ų124153.9 Ų153.981%0.80576%0.763SS**PPolyproline II helixtrans-72.7120.3-176.928.9-34.1000111.4
1215N25.5Very low25.5Very low148 Ų148151.3 Ų151.379%0.79177%0.768SS**PPolyproline II helixtrans-90.5148.6175.8-116.829.4000111.4Y1213Y1213-N1215 PolarHBondContact O-N 3.06Å
1216N26.9Very low25.7Very low145 Ų145150.3 Ų150.378%0.77577%0.769SS**PPolyproline II helixtrans-76.3144.9-170.2-90.3-31.4000115.4
1217F25.9Very low25.7Very low189 Ų189149.3 Ų149.383%0.82977%0.767SS**  trans45.2104.5149.5-76.4-92.4000120.5
1218S27Very low25.8Very low107 Ų107152.3 Ų152.375%0.74877%0.772SS**  trans-86.6114.2144.757.20000110.2
1219Q25.9Very low26Very low113 Ų113155.1 Ų155.153%0.52878%0.779SS.*  trans-50.7132.1179.2175.9-172.718.500114.9N1084N1084-Q1219 HydrophobicContact CB-CB 4.24Å; N1084-Q1219 VanDerWaalsContact CB-CD 3.42Å; N1084-Q1219 HydrophobicContact CB-CG 4.02Å; N1084-Q1219 VanDerWaalsContact CG-CD 3.49Å; N1084-Q1219 PolarHBondContact ND2-NE2 3.36Å; N1084-Q1219 PolarHBondContact ND2-OE1 2.8Å
1220Y25.7Very low26.5Very low219 Ų219152.6 Ų152.686%0.85977%0.772SS**  trans-101132.4155.8-86.3-89.7000109.9
1221H24.7Very low27.5Very low153 Ų153146.8 Ų146.871%0.70877%0.765SS**  trans-91.9113.2-179.4179.455.1000110.2
1222V29.6Very low28Very low126 Ų126150.6 Ų150.676%0.76477%0.769SS**  trans-119.4132.8173.2-179.10000108.2
1223Q25.1Very low29.1Very low171 Ų171147.5 Ų147.580%0.79975%0.752SS**  trans-79.2131.5-178.1-69174.9-45.400111.3G1225Q1223-G1225 PolarHBondContact O-N 3.15Å; Q1223-G1225 VanDerWaalsContact O-N 3.12Å
1224E26.5Very low30.3Very low147 Ų147143 Ų14369%0.68775%0.747SS**  trans-75.497.7177.7-66.8-173.6139.500111.7V1086 T1226V1086-E1224 WeakPolarHBondContact CG1-OE1 3.23Å; E1224-T1226 PolarHBondContact O-N 3.14Å; E1224-T1226 VanDerWaalsContact O-N 3.11Å
1225G29Very low30.3Very low81 Ų81139.8 Ų139.884%0.83573%0.727SS**  trans-70.197.6167.400000111.3Q1223 S1227Q1223-G1225 PolarHBondContact O-N 3.15Å; Q1223-G1225 VanDerWaalsContact O-N 3.12Å; G1225-S1227 PolarHBondContact O-N 3.35Å
1226T26.8Very low30.3Very low114 Ų114140.9 Ų140.970%0.69973%0.727SS**  trans-82.3113.4-173.645.60000113.8E1224E1224-T1226 PolarHBondContact O-N 3.14Å; E1224-T1226 VanDerWaalsContact O-N 3.11Å
1227S27.9Very low30.3Very low107 Ų107143.5 Ų143.575%0.74873%0.734SS**  trans-138.383.8165.4-166.40000109.5G1225G1225-S1227 PolarHBondContact O-N 3.35Å
1228R26.5Very low30.3Very low219 Ų219138.6 Ų138.683%0.82672%0.724SS**  62.37386.4-65.2-165.8-176.3-153.74.5114.5
1229Y28.1Very low30.2Very low233 Ų233143.6 Ų143.691%0.91473%0.727SS**  trans-133.9103.4153-96.5-79.8000111.2
1230S35.2Very low30.4Very low90 Ų90148.5 Ų148.563%0.62975%0.747SS**  trans-179.2154.8174-154.60000106.1
1231P45.3Very low30.5Very low114 Ų114141.5 Ų141.574%0.7474%0.742SS**  cis-122.5-162.214.427.3-0.7000111.5
1232R31.8Very low30.5Very low230 Ų230144.1 Ų144.187%0.86875%0.751SS**  cis-161.716236.5-128.7-162.4164.7-178.1-7.4114.3
1233P47.9Very low30.2Very low74 Ų74142.6 Ų142.648%0.48175%0.752SS.*  trans-106.3-152.3174.642.6-26.8000109.8
1234P47.8Very low30.2Very low99 Ų99144.2 Ų144.264%0.64376%0.756SS**  cis-145.9169.7341.8-21.5000120.2
1235S26.5Very low30.2Very low57 Ų57142.4 Ų142.440%0.39976%0.76SS.*  trans-122.4146.9157-63.20000112.4D1096D1096-S1235 WeakPolarHBondContact CB-OG 3.32Å; D1096-S1235 WeakPolarHBondContact OD2-CB 3.48Å; D1096-S1235 PolarHBondContact OD2-OG 2.65Å
1236H26.9Very low30Very low171 Ų171142.3 Ų142.379%0.79276%0.759SS**  trans-82.7126.5-165.5-73.2-123.7000114.8
1237H27.2Very low29.9Very low200 Ų200144.3 Ų144.393%0.92676%0.764SS**  -140.2145.5128.1-110.139.4000110.3
1238S24.1Very low29.7Very low86 Ų86150 Ų15060%0.60177%0.77SS**  trans-126.2170.8-159.5-171.80000112.2
1239Y25.6Very low29.5Very low211 Ų211145.1 Ų145.183%0.82777%0.77SS**  trans67.197174.4-56.7-82.7000116.4
1240F29.5Very low29.4Very low217 Ų217138.6 Ų138.695%0.95276%0.764SS**  -146.6161.599.6-116.7-84.4000110.8
1241G28.6Very low28.8Very low72 Ų72141.8 Ų141.874%0.74277%0.774SS**  trans-63.3145.5-154.700000117.9
1242K24.7Very low28Very low207 Ų207143.4 Ų143.490%0.978%0.782SS**  trans-94.3166.5158-88.9-172.9177179.50110.8
1243A23Very low27.6Very low95 Ų95137.8 Ų137.879%0.78578%0.778SS**  trans81.2142.4179.800000114.6
1244K25.8Very low26.6Very low205 Ų205138.4 Ų138.489%0.89179%0.789SS**  cis-120132.712.4-64.9173-178.5177.60112.5
1245S25Very low25.8Very low108 Ų108141.1 Ų141.176%0.75580%0.798SS**  trans-76.3129.115748.60000109
1246G26.7Very low26Very low79 Ų79146.8 Ų146.881%0.81482%0.818SS**  trans-70.4132.2176.700000112
1247I24.7Very low26Very low157 Ų157147 Ų14781%0.80582%0.819SS**  trans-124.1148.3161.3-66-179.6000106.6
1248Y22.3Very low26.1Very low225 Ų225146.2 Ų146.288%0.88282%0.816SS**  trans-42.1138.6-171.9-75.2-97.6000115.8
1249S23.3Very low26.4Very low117 Ų117147.8 Ų147.882%0.81883%0.827SS**  trans-62.4138.9154.8-53.20000110.2
1250A24.4Very low26.6Very low96 Ų96142.1 Ų142.179%0.79382%0.824SS**  trans-115.2146.3143.600000106.8
1251D24.7Very low26.4Very low158 Ų158139.5 Ų139.585%0.84582%0.818SS**  trans-72.7149.9-167.1-49.2-88.2000113.9
1252V27Very low26.3Very low148 Ų148143.4 Ų143.490%0.89782%0.817SS**  trans-166.8150.9136.8133.60000110.6
1253S24Very low26.8Very low112 Ų112143.1 Ų143.178%0.78382%0.819SS**  trans-61.1153.6-172.5-48.40000116
1254A25.8Very low27.1Very low87 Ų87143.5 Ų143.572%0.71982%0.816SS**  trans-81155.4161.900000112.2
1255N31.2Very low27.3Very low155 Ų155138.2 Ų138.283%0.82981%0.811SS**  trans173.893.3137.5-88.2-10.5000111.7
1256Q30.7Very low27.4Very low177 Ų177139.4 Ų139.483%0.82781%0.813SS**  trans-172.5144.7161.9-106.4175.97.500107.9
1257E27.9Very low27.1Very low174 Ų174139.8 Ų139.881%0.81380%0.803SS**  cis82.382.73.4-48.7-171.385.400119.1
1258Q29.8Very low27.5Very low185 Ų185141 Ų14186%0.86481%0.805SS**  trans-163.6160.9137.2-111.2177.633.100112.6
1259S29Very low27.6Very low118 Ų118136.9 Ų136.983%0.82580%0.804SS**  trans77.8105.3171.969.20000121.3
1260A29.9Very low27.8Very low92 Ų92139.9 Ų139.976%0.7681%0.807SS**  trans51.7110.4134.300000123.8
1261I26.1Very low28.1Very low162 Ų162143.3 Ų143.383%0.83181%0.812SS**  33.8140.7117.1-59.3173000119.8
1262Q26.6Very low28.4Very low155 Ų155140 Ų14072%0.72481%0.807SS**  cis-177.579.2-26.4-170.576.216.400108.3
1263Q34.8Very low28.4Very low201 Ų201142.1 Ų142.194%0.93981%0.807SS**  trans-137.9139.3166.9-82-176-0.200109.9
1264S29.1Very low28.8Very low103 Ų103140 Ų14072%0.7280%0.803SS**  trans-159.2122.7-13853.80000115.7
1265A30Very low29.5Very low94 Ų94141.6 Ų141.678%0.77781%0.806SS**  trans-15498159.100000112.9
1266V26.9Very low30Very low132 Ų132144.2 Ų144.280%0.881%0.81SS**  trans48.3116.2133.4-173.70000120.4
1267S21.9Very low30.7Very low88 Ų88142.4 Ų142.462%0.61580%0.801SS**  trans71.8146148.6-68.80000120.3
1268H32Very low32.1Very low182 Ų182137.5 Ų137.584%0.84378%0.783SS**  cis-133.5151.2-5.4-86.7-55.5000111
1269T25.6Very low33.3Very low139 Ų139134.3 Ų134.385%0.85377%0.771SS**  trans-84.2154.2176.839.30000113.3
1270M26.1Very low35Very low179 Ų179134.2 Ų134.288%0.88276%0.758SS**  trans-62.2142.2173.5-71.5-77.6-178.700112.3
1271N30.3Very low37Very low168 Ų168132.9 Ų132.990%0.89874%0.738SS**  trans-14799.7152.7-141.9-4.4000110.1
1272A31Very low39.3Very low90 Ų90131.2 Ų131.274%0.74472%0.721SS**  trans-99.996.5-167.900000112
1273Q26.9Very low41.6Very low192 Ų192127.9 Ų127.990%0.89771%0.706SS**  trans-153.547.1170.5-118.9168.95400113.2
1274G32.8Very low43.7Very low68 Ų68123 Ų12370%0.70168%0.682SS**  trans-64.4143.116600000111.2
1275P42Very low46Very low120 Ų120120.6 Ų120.678%0.77967%0.665SS**  trans-64.9147.8-177.527.6-35.1000111.3Q1277P1275-Q1277 VanDerWaalsContact C-N 3.35Å; P1275-Q1277 PolarHBondContact O-N 3.07Å
1276K41.6Very low48.6Very low209 Ų209116.9 Ų116.991%0.90963%0.631SS**  trans-65.391.2173.6-64.9-178.7-178.3177.70109.7T1278K1276-T1278 PolarHBondContact O-N 3.44Å
1277Q45Very low51.2Low140 Ų140115.9 Ų115.965%0.65462%0.616SS**  trans-51.8128.6164.3-73.2-175.8-14.500108.4P1275 D1281P1275-Q1277 VanDerWaalsContact C-N 3.35Å; P1275-Q1277 PolarHBondContact O-N 3.07Å; Q1277-D1281 HydrophobicContact CB-CB 4.44Å
1278T55.8Low54Low70 Ų70115.9 Ų115.943%0.42961%0.609SS.*  trans-68.8161.5177.8700000109.9K1276 E1280 D1281 R1282K1276-T1278 PolarHBondContact O-N 3.44Å; T1278-E1280 PolarHBondContact O-N 2.97Å; T1278-D1281 WeakPolarHBondContact CB-OD2 3.43Å; T1278-D1281 WeakPolarHBondContact CG2-OD2 3.22Å; T1278-D1281 PolarHBondContact N-OD2 3.38Å; T1278-D1281 PolarHBondContact O-N 3.3Å; T1278-D1281 PolarHBondContact OG1-N 3.31Å; T1278-D1281 VanDerWaalsContact OG1-N 3.12Å; T1278-D1281 PolarHBondContact OG1-OD1 3.5Å; T1278-D1281 PolarHBondContact OG1-OD2 2.99Å; T1278-R1282 PolarHBondContact O-N 2.95Å; T1278-R1282 VanDerWaalsContact O-N 3.07Å
1279L56.9Low56.5Low118 Ų118111 Ų11162%0.61859%0.589SS**Hα-helixtrans-58.1-33.9175.2-177.760.1000111.3Q1283L1279-Q1283 WeakPolarHBondContact O-CG 3.46Å; L1279-Q1283 PolarHBondContact O-N 3.48Å
1280E64.8Low59.3Low116 Ų116104.4 Ų104.454%0.54255%0.548SS..Hα-helixtrans-65.5-44.1172.1-64.7-170.7-168.800112.7T1278 R1282 Q1283 K1284T1278-E1280 PolarHBondContact O-N 2.97Å; E1280-R1282 VanDerWaalsContact C-N 3.26Å; E1280-R1282 PolarHBondContact O-N 2.88Å; E1280-Q1283 CarbonylContact O-C 3.46Å; E1280-Q1283 WeakPolarHBondContact O-CA 3.44Å; E1280-Q1283 WeakPolarHBondContact O-CB 3.32Å; E1280-Q1283 PolarHBondContact O-N 2.91Å; E1280-K1284 WeakPolarHBondContact O-CB 3.26Å; E1280-K1284 VanDerWaalsContact O-CG 3.23Å; E1280-K1284 WeakPolarHBondContact O-CG 3.23Å; E1280-K1284 PolarHBondContact O-N 2.75Å; E1280-K1284 WeakPolarHBondContact OE2-CE 3.3Å; E1280-K1284 IonicContact OE2-NZ 2.6Å; E1280-K1284 PolarHBondContact OE2-NZ 3.34Å
1281D71.5Confident62Low65 Ų6597.7 Ų97.735%0.34851%0.514SS..Hα-helixtrans-64-36.3-179.1-54.8-38.9000111.1Q1277 T1278 K1284 S1285Q1277-D1281 HydrophobicContact CB-CB 4.44Å; T1278-D1281 WeakPolarHBondContact CB-OD2 3.43Å; T1278-D1281 WeakPolarHBondContact CG2-OD2 3.22Å; T1278-D1281 PolarHBondContact N-OD2 3.38Å; T1278-D1281 PolarHBondContact O-N 3.3Å; T1278-D1281 PolarHBondContact OG1-N 3.31Å; T1278-D1281 VanDerWaalsContact OG1-N 3.12Å; T1278-D1281 PolarHBondContact OG1-OD1 3.5Å; T1278-D1281 PolarHBondContact OG1-OD2 2.99Å; D1281-K1284 PolarHBondContact O-N 2.72Å; D1281-K1284 IonicContact OD1-NZ 3.7Å; D1281-K1284 PolarHBondContact OD1-NZ 2.88Å; D1281-S1285 VanDerWaalsContact O-CB 3.28Å; D1281-S1285 WeakPolarHBondContact O-CB 3.33Å; D1281-S1285 PolarHBondContact O-N 2.85Å
1282R73Confident64.4Low126 Ų12693.3 Ų93.348%0.47549%0.491SS..Hα-helixtrans-66.7-38.7171.3-163.217076.8110.6-9.5112.1T1278 E1280 Q1286T1278-R1282 PolarHBondContact O-N 2.95Å; T1278-R1282 VanDerWaalsContact O-N 3.07Å; E1280-R1282 VanDerWaalsContact C-N 3.26Å; E1280-R1282 PolarHBondContact O-N 2.88Å; R1282-Q1286 WeakPolarHBondContact O-CB 3.11Å; R1282-Q1286 VanDerWaalsContact O-CG 3.28Å; R1282-Q1286 WeakPolarHBondContact O-CG 3.26Å; R1282-Q1286 PolarHBondContact O-N 3.14Å
1283Q74.6Confident66.8Low85 Ų8589.3 Ų89.340%0.39746%0.458SS..Hα-helixtrans-66.8-41.7173.4-76.8176-16.500112.5L1279 E1280 Q1286 K1287L1279-Q1283 WeakPolarHBondContact O-CG 3.46Å; L1279-Q1283 PolarHBondContact O-N 3.48Å; E1280-Q1283 CarbonylContact O-C 3.46Å; E1280-Q1283 WeakPolarHBondContact O-CA 3.44Å; E1280-Q1283 WeakPolarHBondContact O-CB 3.32Å; E1280-Q1283 PolarHBondContact O-N 2.91Å; Q1283-Q1286 PolarHBondContact O-N 2.75Å; Q1283-K1287 WeakPolarHBondContact O-CB 3.46Å; Q1283-K1287 PolarHBondContact O-N 3.02Å
1284K78.9Confident69.3Low99 Ų9980.5 Ų80.543%0.4342%0.417SS..Hα-helixtrans-61.6-44.8175.3-68.2161-165.1155.90110.3E1280 D1281 K1287 L1288E1280-K1284 WeakPolarHBondContact O-CB 3.26Å; E1280-K1284 VanDerWaalsContact O-CG 3.23Å; E1280-K1284 WeakPolarHBondContact O-CG 3.23Å; E1280-K1284 PolarHBondContact O-N 2.75Å; E1280-K1284 WeakPolarHBondContact OE2-CE 3.3Å; E1280-K1284 IonicContact OE2-NZ 2.6Å; E1280-K1284 PolarHBondContact OE2-NZ 3.34Å; D1281-K1284 PolarHBondContact O-N 2.72Å; D1281-K1284 IonicContact OD1-NZ 3.7Å; D1281-K1284 PolarHBondContact OD1-NZ 2.88Å; K1284-K1287 PolarHBondContact O-N 3.3Å; K1284-L1288 WeakPolarHBondContact O-CB 3.36Å; K1284-L1288 VanDerWaalsContact O-CG 3.32Å; K1284-L1288 WeakPolarHBondContact O-CG 3.03Å; K1284-L1288 PolarHBondContact O-N 3.08Å
1285S79.5Confident71.4Confident53 Ų5381.8 Ų81.837%0.37140%0.4SS..Hα-helixtrans-62-46.1174177.50000112.5D1281 K1287 L1288 L1289D1281-S1285 VanDerWaalsContact O-CB 3.28Å; D1281-S1285 WeakPolarHBondContact O-CB 3.33Å; D1281-S1285 PolarHBondContact O-N 2.85Å; S1285-K1287 VanDerWaalsContact C-N 3.32Å; S1285-K1287 PolarHBondContact O-N 3.31Å; S1285-L1288 PolarHBondContact O-N 3.01Å; S1285-L1289 WeakPolarHBondContact O-CG 3.33Å; S1285-L1289 PolarHBondContact O-N 3.42Å
1286Q82.8Confident73.2Confident16 Ų1679.3 Ų79.38%0.07539%0.386CS..Hα-helixtrans-62.9-36.8175.2-74.1-172.8-55.500112.7R1282 Q1283 L1290 S1310 L1314R1282-Q1286 WeakPolarHBondContact O-CB 3.11Å; R1282-Q1286 VanDerWaalsContact O-CG 3.28Å; R1282-Q1286 WeakPolarHBondContact O-CG 3.26Å; R1282-Q1286 PolarHBondContact O-N 3.14Å; Q1283-Q1286 PolarHBondContact O-N 2.75Å; Q1286-L1290 PolarHBondContact O-N 3.34Å; Q1286-S1310 WeakPolarHBondContact CB-OG 3.5Å; Q1286-S1310 WeakPolarHBondContact CG-OG 3.46Å; Q1286-S1310 WeakPolarHBondContact O-CB 3.33Å; Q1286-L1314 HydrophobicContact CB-CD1 3.89Å
1287K81.4Confident75.2Confident111 Ų11171.4 Ų71.448%0.48335%0.354SS..Hα-helixtrans-67.3-43.1173.8178.5168.5171.3168.70111.8Q1283 K1284 S1285 L1290 E1291 L1314Q1283-K1287 WeakPolarHBondContact O-CB 3.46Å; Q1283-K1287 PolarHBondContact O-N 3.02Å; K1284-K1287 PolarHBondContact O-N 3.3Å; S1285-K1287 VanDerWaalsContact C-N 3.32Å; S1285-K1287 PolarHBondContact O-N 3.31Å; K1287-L1290 PolarHBondContact O-N 2.88Å; K1287-E1291 WeakPolarHBondContact CE-OE1 3.46Å; K1287-E1291 HydrophobicContact CG-CG 4.47Å; K1287-E1291 IonicContact NZ-OE1 2.73Å; K1287-E1291 PolarHBondContact O-N 3.21Å; K1287-L1314 HydrophobicContact CB-CD1 4.04Å
1288L82.5Confident77Confident87 Ų8767.7 Ų67.746%0.45534%0.338SS..Hα-helixtrans-62.2-46.8176-74.4168.2000111.6K1284 S1285 L1290 E1291 D1292K1284-L1288 WeakPolarHBondContact O-CB 3.36Å; K1284-L1288 VanDerWaalsContact O-CG 3.32Å; K1284-L1288 WeakPolarHBondContact O-CG 3.03Å; K1284-L1288 PolarHBondContact O-N 3.08Å; S1285-L1288 PolarHBondContact O-N 3.01Å; L1288-L1290 PolarHBondContact O-N 3.08Å; L1288-E1291 PolarHBondContact O-N 3.37Å; L1288-D1292 VanDerWaalsContact O-CB 3.32Å; L1288-D1292 WeakPolarHBondContact O-CB 3.35Å; L1288-D1292 VanDerWaalsContact O-CG 3.29Å; L1288-D1292 PolarHBondContact O-N 2.91Å
1289L83.5Confident78.5Confident80 Ų8066.6 Ų66.642%0.41933%0.332SS..Hα-helixtrans-54.2-38.3175.5-74.8168.9000112.8S1285 A1293S1285-L1289 WeakPolarHBondContact O-CG 3.33Å; S1285-L1289 PolarHBondContact O-N 3.42Å; L1289-A1293 WeakPolarHBondContact O-CB 3.48Å; L1289-A1293 PolarHBondContact O-N 3.19Å; L1289-A1293 VanDerWaalsContact O-N 3.11Å
1290L84.4Confident80.1Confident1 Ų161 Ų611%0.00530%0.303CS..Hα-helixtrans-78-41178.7-175.756.7000112.8Q1286 K1287 L1288 D1292 I1294 W1303 I1307 W1311 W1315Q1286-L1290 PolarHBondContact O-N 3.34Å; K1287-L1290 PolarHBondContact O-N 2.88Å; L1288-L1290 PolarHBondContact O-N 3.08Å; L1290-D1292 VanDerWaalsContact C-N 3.33Å; L1290-I1294 HydrophobicContact CD1-CD1 4.26Å; L1290-I1294 HydrophobicContact CG-CD1 4.43Å; L1290-I1294 WeakPolarHBondContact O-CG1 3.49Å; L1290-I1294 PolarHBondContact O-N 2.93Å; L1290-W1303 HydrophobicContact CD1-CE3 4.43Å; L1290-W1303 HydrophobicContact CD1-CH2 3.67Å; L1290-W1303 HydrophobicContact CD1-CZ3 3.59Å; L1290-I1307 HydrophobicContact CD1-CG2 4.12Å; L1290-W1311 HydrophobicContact CD1-CB 3.87Å; L1290-W1311 HydrophobicContact CD2-CB 4.04Å; L1290-W1315 HydrophobicContact CD2-CD2 3.58Å; L1290-W1315 HydrophobicContact CD2-CE3 4.15Å; L1290-W1315 HydrophobicContact CD2-CG 3.78Å; L1290-W1315 HydrophobicContact CD2-CZ2 4.18Å; L1290-W1315 HydrophobicContact CG-CD2 4.4Å; L1290-W1315 HydrophobicContact CG-CZ2 4.33Å
1291E82.4Confident81.3Confident37 Ų3758.6 Ų58.617%0.17330%0.296CS..Hα-helixtrans-63.1-40.1172.8-75.3-170.4-150.800111.6K1287 L1288 I1294 R1295 L1393K1287-E1291 WeakPolarHBondContact CE-OE1 3.46Å; K1287-E1291 HydrophobicContact CG-CG 4.47Å; K1287-E1291 IonicContact NZ-OE1 2.73Å; K1287-E1291 PolarHBondContact O-N 3.21Å; L1288-E1291 PolarHBondContact O-N 3.37Å; E1291-I1294 PolarHBondContact O-N 3.18Å; E1291-R1295 WeakPolarHBondContact O-CB 3.39Å; E1291-R1295 WeakPolarHBondContact O-CD 3.36Å; E1291-R1295 WeakPolarHBondContact O-CG 3.34Å; E1291-R1295 PolarHBondContact O-N 3.3Å; E1291-R1295 IonicContact OE2-CZ 3.42Å; E1291-R1295 IonicContact OE2-NE 3.56Å; E1291-R1295 IonicContact OE2-NH2 3.84Å; E1291-R1295 PolarHBondContact OE2-NH2 3.38Å; E1291-L1393 HydrophobicContact CB-CD1 4.19Å; E1291-L1393 HydrophobicContact CG-CD1 3.96Å
1292D80.9Confident82.1Confident77 Ų7758.5 Ų58.541%0.41230%0.3SS..Hα-helixtrans-73.3-34-179.1-68-29.9000112.3L1288 L1290 I1294 R1295 S1296L1288-D1292 VanDerWaalsContact O-CB 3.32Å; L1288-D1292 WeakPolarHBondContact O-CB 3.35Å; L1288-D1292 VanDerWaalsContact O-CG 3.29Å; L1288-D1292 PolarHBondContact O-N 2.91Å; L1290-D1292 VanDerWaalsContact C-N 3.33Å; D1292-I1294 VanDerWaalsContact C-N 3.3Å; D1292-I1294 PolarHBondContact O-N 3.34Å; D1292-R1295 PolarHBondContact O-N 3.49Å; D1292-R1295 WeakPolarHBondContact OD1-CD 3.46Å; D1292-R1295 IonicContact OD1-CZ 4Å; D1292-R1295 IonicContact OD1-NE 2.84Å; D1292-R1295 IonicContact OD1-NH1 2.75Å; D1292-R1295 PolarHBondContact OD1-NH1 3.18Å; D1292-S1296 WeakPolarHBondContact O-CB 3.24Å; D1292-S1296 PolarHBondContact O-N 3.07Å; D1292-S1296 PolarHBondContact O-OG 3.43Å
1293A81.9Confident83Confident5 Ų552.5 Ų52.54%0.04128%0.278CS..Hα-helixtrans-60.8-38.4168.800000112.4L1289 S1296 L1298 I1307L1289-A1293 WeakPolarHBondContact O-CB 3.48Å; L1289-A1293 PolarHBondContact O-N 3.19Å; L1289-A1293 VanDerWaalsContact O-N 3.11Å; A1293-S1296 WeakPolarHBondContact CA-OG 3.39Å; A1293-S1296 PolarHBondContact O-OG 3.42Å; A1293-S1296 VanDerWaalsContact O-OG 3.1Å; A1293-L1298 PolarHBondContact O-N 3.19Å; A1293-I1307 HydrophobicContact CB-CD1 4.02Å; A1293-I1307 HydrophobicContact CB-CG2 3.83Å
1294I79.3Confident83.8Confident7 Ų751 Ų514%0.03628%0.277CS..Hα-helixtrans-78.1-38.6178.4-69.6168.5000111.5L1290 E1291 D1292 S1296 N1297 W1303 W1315 F1369 L1373 L1393L1290-I1294 HydrophobicContact CD1-CD1 4.26Å; L1290-I1294 HydrophobicContact CG-CD1 4.43Å; L1290-I1294 WeakPolarHBondContact O-CG1 3.49Å; L1290-I1294 PolarHBondContact O-N 2.93Å; E1291-I1294 PolarHBondContact O-N 3.18Å; D1292-I1294 VanDerWaalsContact C-N 3.3Å; D1292-I1294 PolarHBondContact O-N 3.34Å; I1294-S1296 PolarHBondContact O-N 3.46Å; I1294-N1297 PolarHBondContact O-N 3.26Å; I1294-N1297 PolarHBondContact O-OD1 3.05Å; I1294-W1303 HydrophobicContact CD1-CH2 4.18Å; I1294-W1303 HydrophobicContact CD1-CZ2 4.39Å; I1294-W1303 HydrophobicContact CG1-CH2 4.14Å; I1294-W1303 HydrophobicContact CG1-CZ2 3.85Å; I1294-W1315 HydrophobicContact CD1-CE3 4.41Å; I1294-W1315 HydrophobicContact CD1-CH2 3.24Å; I1294-W1315 HydrophobicContact CD1-CZ2 4.28Å; I1294-W1315 HydrophobicContact CD1-CZ3 3.32Å; I1294-F1369 HydrophobicContact CD1-CE1 4.38Å; I1294-F1369 HydrophobicContact CG2-CE1 4.02Å; I1294-F1369 HydrophobicContact CG2-CZ 4.27Å; I1294-L1373 HydrophobicContact CG2-CD1 4.04Å; I1294-L1393 HydrophobicContact CG2-CG 4.43Å
1295R76.7Confident84.4Confident95 Ų9547.4 Ų47.436%0.35826%0.264SS..Hα-helixtrans-65.5-23.9174.8-70.8160-174.9-177.5-0.1113.5E1291 D1292 N1297 L1393E1291-R1295 WeakPolarHBondContact O-CB 3.39Å; E1291-R1295 WeakPolarHBondContact O-CD 3.36Å; E1291-R1295 WeakPolarHBondContact O-CG 3.34Å; E1291-R1295 PolarHBondContact O-N 3.3Å; E1291-R1295 IonicContact OE2-CZ 3.42Å; E1291-R1295 IonicContact OE2-NE 3.56Å; E1291-R1295 IonicContact OE2-NH2 3.84Å; E1291-R1295 PolarHBondContact OE2-NH2 3.38Å; D1292-R1295 PolarHBondContact O-N 3.49Å; D1292-R1295 WeakPolarHBondContact OD1-CD 3.46Å; D1292-R1295 IonicContact OD1-CZ 4Å; D1292-R1295 IonicContact OD1-NE 2.84Å; D1292-R1295 IonicContact OD1-NH1 2.75Å; D1292-R1295 PolarHBondContact OD1-NH1 3.18Å; R1295-N1297 VanDerWaalsContact C-N 3.31Å; R1295-L1393 HydrophobicContact CG-CD1 4.43Å
1296S80.3Confident84.9Confident68 Ų6848.6 Ų48.648%0.47627%0.271SS..THydrogen-bonded Turntrans-89.55.7173.548.80000113.2D1292 A1293 I1294 L1298D1292-S1296 WeakPolarHBondContact O-CB 3.24Å; D1292-S1296 PolarHBondContact O-N 3.07Å; D1292-S1296 PolarHBondContact O-OG 3.43Å; A1293-S1296 WeakPolarHBondContact CA-OG 3.39Å; A1293-S1296 PolarHBondContact O-OG 3.42Å; A1293-S1296 VanDerWaalsContact O-OG 3.1Å; I1294-S1296 PolarHBondContact O-N 3.46Å; S1296-L1298 PolarHBondContact O-N 3.48Å
1297N82.6Confident85.3Confident44 Ų4448.8 Ų48.824%0.23527%0.272CS..THydrogen-bonded Turntrans50.833.6-178.7-63.60.3000113.5I1294 R1295 P1299 L1373I1294-N1297 PolarHBondContact O-N 3.26Å; I1294-N1297 PolarHBondContact O-OD1 3.05Å; R1295-N1297 VanDerWaalsContact C-N 3.31Å; N1297-P1299 WeakPolarHBondContact O-CD 3.27Å; N1297-L1373 HydrophobicContact CB-CB 4.29Å; N1297-L1373 PolarHBondContact ND2-O 2.85Å
1298L83.9Confident85.9Confident61 Ų6143.7 Ų43.732%0.31925%0.25SS..  trans-65.3123.8176.7-105.268.4000109.6A1293 S1296 W1303A1293-L1298 PolarHBondContact O-N 3.19Å; S1296-L1298 PolarHBondContact O-N 3.48Å; L1298-W1303 PolarHBondContact O-NE1 3.07Å
1299P86.4Confident86.3Confident48 Ų4840 Ų4031%0.31223%0.231SC..  trans-61.3144.1174.126.6-34.5000109.9N1297 T1301 S1302 T1374N1297-P1299 WeakPolarHBondContact O-CD 3.27Å; P1299-T1301 PolarHBondContact O-N 2.91Å; P1299-S1302 PolarHBondContact O-N 3.38Å; P1299-S1302 PolarHBondContact O-OG 3.3Å; P1299-S1302 VanDerWaalsContact O-OG 3.06Å; P1299-T1374 HydrophobicContact CB-CG2 4.38Å
1300F90.7Very high86.5Confident1 Ų136.3 Ų36.30%0.00421%0.212CC..G310 helixtrans-53.2-33.9-175.8179.3-102.8000113S1302 W1303 L1308 W1311 G1333 L1336 A1337 V1363 M1366 L1367 T1370F1300-S1302 VanDerWaalsContact C-N 3.26Å; F1300-S1302 PolarHBondContact O-N 2.91Å; F1300-W1303 AromaticContact CD2-CD2 3.89Å; F1300-W1303 HydrophobicContact CD2-CD2 3.89Å; F1300-W1303 AromaticContact CD2-CE3 3.65Å; F1300-W1303 HydrophobicContact CD2-CE3 3.65Å; F1300-W1303 HydrophobicContact CD2-CG 4.46Å; F1300-W1303 HydrophobicContact CD2-CH2 4.38Å; F1300-W1303 AromaticContact CD2-CZ3 3.91Å; F1300-W1303 HydrophobicContact CD2-CZ3 3.91Å; F1300-W1303 AromaticContact CE2-CE3 3.92Å; F1300-W1303 HydrophobicContact CE2-CE3 3.92Å; F1300-W1303 HydrophobicContact CE2-CZ3 4.15Å; F1300-W1303 WeakPolarHBondContact O-CB 3.5Å; F1300-W1303 PolarHBondContact O-N 3.33Å; F1300-W1303 VanDerWaalsContact O-N 3.15Å; F1300-L1308 HydrophobicContact CE2-CD2 3.73Å; F1300-L1308 HydrophobicContact CZ-CD2 3.88Å; F1300-W1311 HydrophobicContact CE2-CD2 4.3Å; F1300-W1311 AromaticContact CE2-CE3 3.98Å; F1300-W1311 HydrophobicContact CE2-CE3 3.98Å; F1300-W1311 HydrophobicContact CE2-CH2 4.04Å; F1300-W1311 HydrophobicContact CE2-CZ2 4.33Å; F1300-W1311 AromaticContact CE2-CZ3 3.86Å; F1300-W1311 HydrophobicContact CE2-CZ3 3.86Å; F1300-W1311 HydrophobicContact CZ-CE3 4.34Å; F1300-W1311 AromaticContact CZ-CH2 3.95Å; F1300-W1311 HydrophobicContact CZ-CH2 3.95Å; F1300-W1311 AromaticContact CZ-CZ3 3.79Å; F1300-W1311 HydrophobicContact CZ-CZ3 3.79Å; F1300-G1333 WeakPolarHBondContact O-CA 3.36Å; F1300-L1336 HydrophobicContact CZ-CD2 4.13Å; F1300-A1337 HydrophobicContact CE1-CB 4.5Å; F1300-V1363 HydrophobicContact CE1-CG1 3.98Å; F1300-V1363 HydrophobicContact CE1-CG2 4.48Å; F1300-V1363 HydrophobicContact CZ-CG2 4.28Å; F1300-M1366 HydrophobicContact CB-CG 4.2Å; F1300-M1366 HydrophobicContact CD2-CB 4Å; F1300-M1366 HydrophobicContact CD2-CG 3.27Å; F1300-M1366 HydrophobicContact CE2-CB 4.23Å; F1300-M1366 HydrophobicContact CE2-CG 3.79Å; F1300-M1366 HydrophobicContact CG-CB 4.42Å; F1300-M1366 HydrophobicContact CG-CG 3.93Å; F1300-L1367 HydrophobicContact CB-CD2 4.2Å; F1300-L1367 HydrophobicContact CD1-CD2 3.86Å; F1300-L1367 HydrophobicContact CD1-CG 3.95Å; F1300-L1367 HydrophobicContact CG-CD2 4.48Å; F1300-T1370 HydrophobicContact CB-CG2 4.23Å; F1300-T1370 WeakPolarHBondContact CB-OG1 3.45Å; F1300-T1370 PolarHBondContact N-OG1 3.22Å
1301T90Very high86.9Confident65 Ų6536.2 Ų36.240%0.39921%0.211SC..G310 helixtrans-57.4-33176.3500000114.1P1299 A1334 L1367P1299-T1301 PolarHBondContact O-N 2.91Å; T1301-A1334 HydrophobicContact CG2-CB 4.27Å; T1301-A1334 WeakPolarHBondContact O-CB 3.46Å; T1301-A1334 PolarHBondContact O-N 3.3Å; T1301-L1367 HydrophobicContact CG2-CD2 4.18Å
1302S88.3Confident87.3Confident62 Ų6234.5 Ų34.543%0.43420%0.203SC..G310 helixtrans-90.92.5179.974.20000114.4P1299 F1300P1299-S1302 PolarHBondContact O-N 3.38Å; P1299-S1302 PolarHBondContact O-OG 3.3Å; P1299-S1302 VanDerWaalsContact O-OG 3.06Å; F1300-S1302 VanDerWaalsContact C-N 3.26Å; F1300-S1302 PolarHBondContact O-N 2.91Å
1303W92.8Very high87.7Confident0 Ų033.6 Ų33.60%020%0.196CC..  trans-68.3134.9178.4-70.618.3000111.1L1290 I1294 L1298 F1300 I1307 L1308 W1311 S1332 G1333 M1366 T1370L1290-W1303 HydrophobicContact CD1-CE3 4.43Å; L1290-W1303 HydrophobicContact CD1-CH2 3.67Å; L1290-W1303 HydrophobicContact CD1-CZ3 3.59Å; I1294-W1303 HydrophobicContact CD1-CH2 4.18Å; I1294-W1303 HydrophobicContact CD1-CZ2 4.39Å; I1294-W1303 HydrophobicContact CG1-CH2 4.14Å; I1294-W1303 HydrophobicContact CG1-CZ2 3.85Å; L1298-W1303 PolarHBondContact O-NE1 3.07Å; F1300-W1303 AromaticContact CD2-CD2 3.89Å; F1300-W1303 HydrophobicContact CD2-CD2 3.89Å; F1300-W1303 AromaticContact CD2-CE3 3.65Å; F1300-W1303 HydrophobicContact CD2-CE3 3.65Å; F1300-W1303 HydrophobicContact CD2-CG 4.46Å; F1300-W1303 HydrophobicContact CD2-CH2 4.38Å; F1300-W1303 AromaticContact CD2-CZ3 3.91Å; F1300-W1303 HydrophobicContact CD2-CZ3 3.91Å; F1300-W1303 AromaticContact CE2-CE3 3.92Å; F1300-W1303 HydrophobicContact CE2-CE3 3.92Å; F1300-W1303 HydrophobicContact CE2-CZ3 4.15Å; F1300-W1303 WeakPolarHBondContact O-CB 3.5Å; F1300-W1303 PolarHBondContact O-N 3.33Å; F1300-W1303 VanDerWaalsContact O-N 3.15Å; W1303-I1307 HydrophobicContact CB-CB 4.42Å; W1303-I1307 HydrophobicContact CB-CG2 4.3Å; W1303-I1307 HydrophobicContact CD2-CG2 3.8Å; W1303-I1307 HydrophobicContact CE3-CG2 3.63Å; W1303-I1307 HydrophobicContact CG-CG2 4.11Å; W1303-I1307 HydrophobicContact CZ3-CG2 4.24Å; W1303-L1308 HydrophobicContact CB-CD2 4.11Å; W1303-L1308 HydrophobicContact CB-CG 4.41Å; W1303-L1308 HydrophobicContact CE3-CD2 4.24Å; W1303-W1311 HydrophobicContact CZ3-CB 3.97Å; W1303-W1311 HydrophobicContact CZ3-CD2 4.39Å; W1303-W1311 AromaticContact CZ3-CG 3.88Å; W1303-W1311 HydrophobicContact CZ3-CG 3.88Å; W1303-S1332 CarbonylContact O-C 3.54Å; W1303-S1332 VanDerWaalsContact O-CA 3.28Å; W1303-S1332 WeakPolarHBondContact O-CA 3.37Å; W1303-G1333 PolarHBondContact O-N 3.08Å; W1303-M1366 HydrophobicContact CH2-CE 3.97Å; W1303-M1366 HydrophobicContact CH2-CG 3.89Å; W1303-M1366 HydrophobicContact CH2-SD 3.53Å; W1303-M1366 VanDerWaalsContact CH2-SD 3.53Å; W1303-M1366 HydrophobicContact CZ2-CG 4.43Å; W1303-M1366 HydrophobicContact CZ2-SD 4.02Å; W1303-M1366 HydrophobicContact CZ3-CG 4.18Å; W1303-M1366 HydrophobicContact CZ3-SD 4.33Å; W1303-T1370 HydrophobicContact CZ2-CG2 3.88Å
1304S90.8Very high87.9Confident55 Ų5535.8 Ų35.839%0.38521%0.206SC..BIsolated β-bridgetrans-84.9158.1178.163.10000112.2P1306 I1307 L1308S1304-P1306 VanDerWaalsContact C-N 3.35Å; S1304-I1307 WeakPolarHBondContact O-CA 3.28Å; S1304-I1307 WeakPolarHBondContact O-CB 3.36Å; S1304-I1307 PolarHBondContact O-N 3.04Å; S1304-I1307 WeakPolarHBondContact OG-CD1 3.35Å; S1304-L1308 PolarHBondContact O-N 2.97Å
1305S90.8Very high88.2Confident22 Ų2236.5 Ų36.515%0.15421%0.209CC..Hα-helixtrans-48-43.1-178.8-166.80000114.8I1307 L1308 V1309 I1330 K1331S1305-I1307 VanDerWaalsContact C-N 3.3Å; S1305-I1307 PolarHBondContact O-N 3.11Å; S1305-L1308 PolarHBondContact O-N 3.02Å; S1305-V1309 WeakPolarHBondContact O-CB 3.15Å; S1305-V1309 VanDerWaalsContact O-CG2 3.31Å; S1305-V1309 WeakPolarHBondContact O-CG2 3.23Å; S1305-V1309 PolarHBondContact O-N 3.4Å; S1305-I1330 WeakPolarHBondContact CB-O 3.4Å; S1305-I1330 PolarHBondContact OG-O 2.9Å; S1305-K1331 PolarHBondContact N-O 2.97Å
1306P91.4Very high88.7Confident78 Ų7832 Ų3251%0.50619%0.192SC..Hα-helixtrans-61.9-30.7175-25.136.1000115.2S1304 S1310S1304-P1306 VanDerWaalsContact C-N 3.35Å; P1306-S1310 WeakPolarHBondContact O-CB 3.3Å; P1306-S1310 PolarHBondContact O-N 3.46Å; P1306-S1310 PolarHBondContact O-OG 3.39Å
1307I90.9Very high89Confident21 Ų2129.2 Ų29.211%0.10817%0.174CC..Hα-helixtrans-73.8-45.4175.1-57.3169.7000109L1290 A1293 W1303 S1304 S1305 V1309 S1310 W1311L1290-I1307 HydrophobicContact CD1-CG2 4.12Å; A1293-I1307 HydrophobicContact CB-CD1 4.02Å; A1293-I1307 HydrophobicContact CB-CG2 3.83Å; W1303-I1307 HydrophobicContact CB-CB 4.42Å; W1303-I1307 HydrophobicContact CB-CG2 4.3Å; W1303-I1307 HydrophobicContact CD2-CG2 3.8Å; W1303-I1307 HydrophobicContact CE3-CG2 3.63Å; W1303-I1307 HydrophobicContact CG-CG2 4.11Å; W1303-I1307 HydrophobicContact CZ3-CG2 4.24Å; S1304-I1307 WeakPolarHBondContact O-CA 3.28Å; S1304-I1307 WeakPolarHBondContact O-CB 3.36Å; S1304-I1307 PolarHBondContact O-N 3.04Å; S1304-I1307 WeakPolarHBondContact OG-CD1 3.35Å; S1305-I1307 VanDerWaalsContact C-N 3.3Å; S1305-I1307 PolarHBondContact O-N 3.11Å; I1307-V1309 PolarHBondContact O-N 2.9Å; I1307-S1310 WeakPolarHBondContact O-CB 3.38Å; I1307-S1310 PolarHBondContact O-N 3.24Å; I1307-S1310 VanDerWaalsContact O-N 3.13Å; I1307-W1311 WeakPolarHBondContact O-CB 3.4Å; I1307-W1311 PolarHBondContact O-N 3.09Å
1308L92.4Very high89.4Confident4 Ų427.7 Ų27.72%0.02117%0.165CC..Hα-helixtrans-59.7-44.9175.3-63.7175.3000112.3F1300 W1303 S1304 S1305 S1310 W1311 L1312 I1330 L1336F1300-L1308 HydrophobicContact CE2-CD2 3.73Å; F1300-L1308 HydrophobicContact CZ-CD2 3.88Å; W1303-L1308 HydrophobicContact CB-CD2 4.11Å; W1303-L1308 HydrophobicContact CB-CG 4.41Å; W1303-L1308 HydrophobicContact CE3-CD2 4.24Å; S1304-L1308 PolarHBondContact O-N 2.97Å; S1305-L1308 PolarHBondContact O-N 3.02Å; L1308-S1310 VanDerWaalsContact C-N 3.25Å; L1308-S1310 PolarHBondContact O-N 3.02Å; L1308-W1311 HydrophobicContact CD2-CE3 4.38Å; L1308-W1311 PolarHBondContact O-N 2.85Å; L1308-L1312 WeakPolarHBondContact O-CB 3.49Å; L1308-L1312 VanDerWaalsContact O-CG 3.28Å; L1308-L1312 WeakPolarHBondContact O-CG 3.5Å; L1308-L1312 PolarHBondContact O-N 3.48Å; L1308-I1330 HydrophobicContact CD1-CG2 3.65Å; L1308-L1336 HydrophobicContact CD2-CD2 4.49Å
1309V90.9Very high89.6Confident9 Ų926.4 Ų26.46%0.05516%0.161CC..Hα-helixtrans-59.1-38.7175.1163.70000111.2S1305 I1307 K1313 V1323 E1327S1305-V1309 WeakPolarHBondContact O-CB 3.15Å; S1305-V1309 VanDerWaalsContact O-CG2 3.31Å; S1305-V1309 WeakPolarHBondContact O-CG2 3.23Å; S1305-V1309 PolarHBondContact O-N 3.4Å; I1307-V1309 PolarHBondContact O-N 2.9Å; V1309-K1313 WeakPolarHBondContact O-CB 3.13Å; V1309-K1313 PolarHBondContact O-N 3.37Å; V1309-V1323 HydrophobicContact CB-CG1 4.29Å; V1309-V1323 HydrophobicContact CG1-CG1 3.8Å; V1309-V1323 HydrophobicContact CG2-CG1 4.29Å; V1309-E1327 HydrophobicContact CG2-CB 3.63Å; V1309-E1327 HydrophobicContact CG2-CG 3.73Å
1310S89.5Confident89.7Confident2 Ų228 Ų281%0.01418%0.178CC..Hα-helixtrans-69.7-43.3176.4-58.20000111.6Q1286 P1306 I1307 L1308 L1314Q1286-S1310 WeakPolarHBondContact CB-OG 3.5Å; Q1286-S1310 WeakPolarHBondContact CG-OG 3.46Å; Q1286-S1310 WeakPolarHBondContact O-CB 3.33Å; P1306-S1310 WeakPolarHBondContact O-CB 3.3Å; P1306-S1310 PolarHBondContact O-N 3.46Å; P1306-S1310 PolarHBondContact O-OG 3.39Å; I1307-S1310 WeakPolarHBondContact O-CB 3.38Å; I1307-S1310 PolarHBondContact O-N 3.24Å; I1307-S1310 VanDerWaalsContact O-N 3.13Å; L1308-S1310 VanDerWaalsContact C-N 3.25Å; L1308-S1310 PolarHBondContact O-N 3.02Å; S1310-L1314 WeakPolarHBondContact O-CB 3.49Å; S1310-L1314 VanDerWaalsContact O-CG 3.27Å; S1310-L1314 WeakPolarHBondContact O-CG 3.35Å; S1310-L1314 PolarHBondContact O-N 2.8Å
1311W91.6Very high89.5Confident0 Ų035.5 Ų35.50%021%0.206CC..Hα-helixtrans-66.3-51.2177.1169.770.4000113.7L1290 F1300 W1303 I1307 L1308 K1313 L1314 W1315 V1316 L1336 A1362 V1363 M1366L1290-W1311 HydrophobicContact CD1-CB 3.87Å; L1290-W1311 HydrophobicContact CD2-CB 4.04Å; F1300-W1311 HydrophobicContact CE2-CD2 4.3Å; F1300-W1311 AromaticContact CE2-CE3 3.98Å; F1300-W1311 HydrophobicContact CE2-CE3 3.98Å; F1300-W1311 HydrophobicContact CE2-CH2 4.04Å; F1300-W1311 HydrophobicContact CE2-CZ2 4.33Å; F1300-W1311 AromaticContact CE2-CZ3 3.86Å; F1300-W1311 HydrophobicContact CE2-CZ3 3.86Å; F1300-W1311 HydrophobicContact CZ-CE3 4.34Å; F1300-W1311 AromaticContact CZ-CH2 3.95Å; F1300-W1311 HydrophobicContact CZ-CH2 3.95Å; F1300-W1311 AromaticContact CZ-CZ3 3.79Å; F1300-W1311 HydrophobicContact CZ-CZ3 3.79Å; W1303-W1311 HydrophobicContact CZ3-CB 3.97Å; W1303-W1311 HydrophobicContact CZ3-CD2 4.39Å; W1303-W1311 AromaticContact CZ3-CG 3.88Å; W1303-W1311 HydrophobicContact CZ3-CG 3.88Å; I1307-W1311 WeakPolarHBondContact O-CB 3.4Å; I1307-W1311 PolarHBondContact O-N 3.09Å; L1308-W1311 HydrophobicContact CD2-CE3 4.38Å; L1308-W1311 PolarHBondContact O-N 2.85Å; W1311-K1313 PolarHBondContact O-N 3.39Å; W1311-L1314 PolarHBondContact O-N 2.95Å; W1311-W1315 AromaticContact CD1-CE3 3.98Å; W1311-W1315 PolarHBondContact O-N 3.03Å; W1311-V1316 HydrophobicContact CD2-CG2 3.83Å; W1311-V1316 VanDerWaalsContact CE2-CG2 3.42Å; W1311-V1316 HydrophobicContact CE3-CG2 4.17Å; W1311-V1316 HydrophobicContact CG-CG2 4.48Å; W1311-V1316 HydrophobicContact CH2-CG2 3.8Å; W1311-V1316 HydrophobicContact CZ2-CG2 3.43Å; W1311-V1316 VanDerWaalsContact CZ2-CG2 3.43Å; W1311-V1316 HydrophobicContact CZ3-CG2 4.15Å; W1311-V1316 PolarHBondContact O-N 2.93Å; W1311-V1316 VanDerWaalsContact O-N 3.09Å; W1311-L1336 HydrophobicContact CZ3-CD2 3.86Å; W1311-A1362 HydrophobicContact CH2-CB 4.24Å; W1311-A1362 HydrophobicContact CZ2-CB 3.93Å; W1311-A1362 WeakPolarHBondContact CZ2-O 3.48Å; W1311-V1363 HydrophobicContact CH2-CG2 3.79Å; W1311-V1363 HydrophobicContact CZ3-CG2 4.35Å; W1311-M1366 HydrophobicContact CZ2-CB 4.07Å; W1311-M1366 VanDerWaalsContact NE1-CE 3.31Å
1312L92.1Very high89.6Confident1 Ų132.9 Ų32.91%0.00519%0.189CC..Iπ-helixtrans-55.7-42.7177.2-73.2170.6000111.1L1308 V1316 G1317 M1318 V1323 C1326 L1359L1308-L1312 WeakPolarHBondContact O-CB 3.49Å; L1308-L1312 VanDerWaalsContact O-CG 3.28Å; L1308-L1312 WeakPolarHBondContact O-CG 3.5Å; L1308-L1312 PolarHBondContact O-N 3.48Å; L1312-V1316 HydrophobicContact CD2-CG2 4.25Å; L1312-G1317 PolarHBondContact O-N 2.63Å; L1312-M1318 HydrophobicContact CB-CB 4.48Å; L1312-M1318 HydrophobicContact CD2-CG 4.29Å; L1312-M1318 PolarHBondContact O-N 3.38Å; L1312-V1323 HydrophobicContact CB-CG2 4.13Å; L1312-C1326 HydrophobicContact CD1-CB 3.53Å; L1312-L1359 HydrophobicContact CD2-CD1 3.63Å
1313K88.9Confident89.8Confident58 Ų5830.3 Ų30.325%0.25217%0.171SC..Iπ-helixtrans-74.7-42.8-178.8-177.1-176.1167-165.60113.3V1309 W1311 V1323V1309-K1313 WeakPolarHBondContact O-CB 3.13Å; V1309-K1313 PolarHBondContact O-N 3.37Å; W1311-K1313 PolarHBondContact O-N 3.39Å; K1313-V1323 HydrophobicContact CB-CG1 4.5Å; K1313-V1323 HydrophobicContact CB-CG2 4.2Å
1314L85.4Confident89.6Confident50 Ų5032.7 Ų32.726%0.26219%0.19SC..Iπ-helixtrans-94.8-36.5-170.7-62.3177.1000114Q1286 K1287 S1310 W1311Q1286-L1314 HydrophobicContact CB-CD1 3.89Å; K1287-L1314 HydrophobicContact CB-CD1 4.04Å; S1310-L1314 WeakPolarHBondContact O-CB 3.49Å; S1310-L1314 VanDerWaalsContact O-CG 3.27Å; S1310-L1314 WeakPolarHBondContact O-CG 3.35Å; S1310-L1314 PolarHBondContact O-N 2.8Å; W1311-L1314 PolarHBondContact O-N 2.95Å
1315W86.2Confident89.6Confident23 Ų2331.3 Ų31.39%0.08718%0.183CC..Iπ-helixtrans-109.9-37.5-171.9-72.311.7000112.8L1290 I1294 W1311 M1366 L1393 I1400 G1402L1290-W1315 HydrophobicContact CD2-CD2 3.58Å; L1290-W1315 HydrophobicContact CD2-CE3 4.15Å; L1290-W1315 HydrophobicContact CD2-CG 3.78Å; L1290-W1315 HydrophobicContact CD2-CZ2 4.18Å; L1290-W1315 HydrophobicContact CG-CD2 4.4Å; L1290-W1315 HydrophobicContact CG-CZ2 4.33Å; I1294-W1315 HydrophobicContact CD1-CE3 4.41Å; I1294-W1315 HydrophobicContact CD1-CH2 3.24Å; I1294-W1315 HydrophobicContact CD1-CZ2 4.28Å; I1294-W1315 HydrophobicContact CD1-CZ3 3.32Å; W1311-W1315 AromaticContact CD1-CE3 3.98Å; W1311-W1315 PolarHBondContact O-N 3.03Å; W1315-M1366 HydrophobicContact CE3-CE 3.75Å; W1315-M1366 HydrophobicContact CZ3-CE 3.86Å; W1315-L1393 HydrophobicContact CH2-CD2 4.41Å; W1315-I1400 HydrophobicContact CE3-CG2 4.16Å; W1315-I1400 HydrophobicContact CZ3-CG2 3.84Å; W1315-G1402 WeakPolarHBondContact O-CA 3.41Å
1316V87.1Confident89.5Confident0 Ų030.6 Ų30.60%018%0.178CC..Iπ-helixtrans-79.4-27.6170.9-166.20000111W1311 L1312 M1318 K1358 A1362W1311-V1316 HydrophobicContact CD2-CG2 3.83Å; W1311-V1316 VanDerWaalsContact CE2-CG2 3.42Å; W1311-V1316 HydrophobicContact CE3-CG2 4.17Å; W1311-V1316 HydrophobicContact CG-CG2 4.48Å; W1311-V1316 HydrophobicContact CH2-CG2 3.8Å; W1311-V1316 HydrophobicContact CZ2-CG2 3.43Å; W1311-V1316 VanDerWaalsContact CZ2-CG2 3.43Å; W1311-V1316 HydrophobicContact CZ3-CG2 4.15Å; W1311-V1316 PolarHBondContact O-N 2.93Å; W1311-V1316 VanDerWaalsContact O-N 3.09Å; L1312-V1316 HydrophobicContact CD2-CG2 4.25Å; V1316-M1318 HydrophobicContact CB-CG 4.21Å; V1316-M1318 HydrophobicContact CG1-CE 3.89Å; V1316-M1318 HydrophobicContact CG1-CG 3.85Å; V1316-M1318 HydrophobicContact CG1-SD 4.46Å; V1316-K1358 HydrophobicContact CG1-CG 4.41Å; V1316-K1358 WeakPolarHBondContact O-CE 3.5Å; V1316-K1358 PolarHBondContact O-NZ 3.31Å; V1316-A1362 HydrophobicContact CG1-CB 3.86Å; V1316-A1362 HydrophobicContact CG2-CB 3.88Å
1317G87Confident89.4Confident10 Ų1032.1 Ų32.110%0.10318%0.178CC..  trans62.250.2-174.900000111.1L1312 K1358 H1406L1312-G1317 PolarHBondContact O-N 2.63Å; G1317-K1358 PolarHBondContact O-NZ 2.97Å; G1317-H1406 PolarHBondContact O-CE1 3.44Å; G1317-H1406 PolarHBondContact O-ND1 3.48Å
1318M90.8Very high89.3Confident11 Ų1134.6 Ų34.65%0.05420%0.201CC..  trans-82.7134.1171.9-74.8-61.5-172.500110.6L1312 V1316 Y1322 V1323 K1358 L1359 L1430L1312-M1318 HydrophobicContact CB-CB 4.48Å; L1312-M1318 HydrophobicContact CD2-CG 4.29Å; L1312-M1318 PolarHBondContact O-N 3.38Å; V1316-M1318 HydrophobicContact CB-CG 4.21Å; V1316-M1318 HydrophobicContact CG1-CE 3.89Å; V1316-M1318 HydrophobicContact CG1-CG 3.85Å; V1316-M1318 HydrophobicContact CG1-SD 4.46Å; M1318-Y1322 HydrophobicContact SD-CD2 4.28Å; M1318-V1323 HydrophobicContact CB-CG2 3.91Å; M1318-V1323 WeakPolarHBondContact O-CG2 3.49Å; M1318-K1358 HydrophobicContact CE-CB 4.06Å; M1318-K1358 HydrophobicContact CE-CD 3.86Å; M1318-K1358 HydrophobicContact CE-CG 4Å; M1318-K1358 HydrophobicContact SD-CD 4.25Å; M1318-L1359 HydrophobicContact CE-CB 3.84Å; M1318-L1359 HydrophobicContact CE-CD1 4.28Å; M1318-L1430 HydrophobicContact SD-CD1 4.27Å
1319P88.1Confident89.1Confident34 Ų3438 Ų3822%0.22122%0.22CC..  trans-51.7146.3170.9-30.735.7000113.6W1321 Y1322 V1323 L1430P1319-W1321 HydrophobicContact CB-CG 4.36Å; P1319-W1321 VanDerWaalsContact CB-NE1 3.28Å; P1319-W1321 PolarHBondContact O-N 3Å; P1319-Y1322 PolarHBondContact O-N 3.35Å; P1319-V1323 PolarHBondContact O-N 3.28Å; P1319-V1323 VanDerWaalsContact O-N 3.07Å; P1319-L1430 HydrophobicContact CG-CD1 3.83Å; P1319-L1430 HydrophobicContact CG-CD2 3.67Å; P1319-L1430 HydrophobicContact CG-CG 4.41Å
1320A88.5Confident89Confident81 Ų8137.9 Ų37.967%0.66922%0.219SC*.Hα-helixtrans-55.7-26.1-173.700000114.7A1324A1320-A1324 WeakPolarHBondContact O-CB 3.48Å; A1320-A1324 PolarHBondContact O-N 3.12Å
1321W86Confident89.1Confident159 Ų15945.4 Ų45.460%0.60225%0.251SS*.Hα-helixtrans-75.5-33.7176.955.8-86000113.4P1319 A1325P1319-W1321 HydrophobicContact CB-CG 4.36Å; P1319-W1321 VanDerWaalsContact CB-NE1 3.28Å; P1319-W1321 PolarHBondContact O-N 3Å; W1321-A1325 PolarHBondContact O-N 3.42Å; W1321-A1325 VanDerWaalsContact O-N 3.15Å
1322Y92.3Very high89Confident10 Ų1047.2 Ų47.24%0.03926%0.264CS..Hα-helixtrans-72.4-39.2167.6-74.3-43.9000111.8M1318 P1319 A1324 A1325 C1326 I1350 H1355 L1430M1318-Y1322 HydrophobicContact SD-CD2 4.28Å; P1319-Y1322 PolarHBondContact O-N 3.35Å; Y1322-A1324 VanDerWaalsContact C-N 3.3Å; Y1322-A1324 PolarHBondContact O-N 3.14Å; Y1322-A1325 PolarHBondContact O-N 3.45Å; Y1322-C1326 PolarHBondContact O-N 3.2Å; Y1322-C1326 PolarHBondContact O-SG 3.44Å; Y1322-I1350 HydrophobicContact CD1-CD1 3.97Å; Y1322-I1350 HydrophobicContact CD1-CG1 3.79Å; Y1322-I1350 HydrophobicContact CE1-CB 3.99Å; Y1322-I1350 HydrophobicContact CE1-CD1 4.11Å; Y1322-I1350 HydrophobicContact CE1-CG1 3.57Å; Y1322-I1350 HydrophobicContact CE1-CG2 3.91Å; Y1322-I1350 HydrophobicContact CG-CD1 4.47Å; Y1322-H1355 HydrophobicContact CE2-CB 4.2Å; Y1322-H1355 AromaticContact CE2-ND1 3.35Å; Y1322-H1355 WeakPolarHBondContact CE2-ND1 3.5Å; Y1322-H1355 AromaticContact CZ-ND1 3.52Å; Y1322-H1355 PolarHBondContact OH-ND1 3.28Å; Y1322-L1430 HydrophobicContact CD2-CD1 4.22Å; Y1322-L1430 HydrophobicContact CE2-CD1 3.95Å
1323V91.9Very high89Confident8 Ų847.2 Ų47.25%0.04826%0.264CS..Hα-helixtrans-59.9-43176178.90000110.7V1309 L1312 K1313 M1318 P1319 C1326 E1327V1309-V1323 HydrophobicContact CB-CG1 4.29Å; V1309-V1323 HydrophobicContact CG1-CG1 3.8Å; V1309-V1323 HydrophobicContact CG2-CG1 4.29Å; L1312-V1323 HydrophobicContact CB-CG2 4.13Å; K1313-V1323 HydrophobicContact CB-CG1 4.5Å; K1313-V1323 HydrophobicContact CB-CG2 4.2Å; M1318-V1323 HydrophobicContact CB-CG2 3.91Å; M1318-V1323 WeakPolarHBondContact O-CG2 3.49Å; P1319-V1323 PolarHBondContact O-N 3.28Å; P1319-V1323 VanDerWaalsContact O-N 3.07Å; V1323-C1326 PolarHBondContact O-N 3.21Å; V1323-E1327 WeakPolarHBondContact O-CB 3.44Å; V1323-E1327 PolarHBondContact O-N 3.31Å
1324A89.7Confident89Confident50 Ų5046.4 Ų46.441%0.41327%0.268SS..Hα-helixtrans-67.8-35.1176.100000113.6A1320 Y1322 E1327 A1328A1320-A1324 WeakPolarHBondContact O-CB 3.48Å; A1320-A1324 PolarHBondContact O-N 3.12Å; Y1322-A1324 VanDerWaalsContact C-N 3.3Å; Y1322-A1324 PolarHBondContact O-N 3.14Å; A1324-E1327 PolarHBondContact O-N 3.35Å; A1324-A1328 WeakPolarHBondContact O-CB 3.11Å; A1324-A1328 PolarHBondContact O-N 3.44Å
1325A88.9Confident89.1Confident27 Ų2747.4 Ų47.422%0.22327%0.272CS..Hα-helixtrans-65.2-40.9172.900000111.6W1321 Y1322 N1329W1321-A1325 PolarHBondContact O-N 3.42Å; W1321-A1325 VanDerWaalsContact O-N 3.15Å; Y1322-A1325 PolarHBondContact O-N 3.45Å; A1325-N1329 WeakPolarHBondContact O-CB 3.15Å; A1325-N1329 PolarHBondContact O-N 2.67Å; A1325-N1329 VanDerWaalsContact O-N 3.16Å
1326C88.7Confident89.3Confident7 Ų746.5 Ų46.55%0.04727%0.269CS..Hα-helixtrans-65.7-43.1172.8-61.20000111.7L1312 Y1322 V1323 A1328 N1329 I1330L1312-C1326 HydrophobicContact CD1-CB 3.53Å; Y1322-C1326 PolarHBondContact O-N 3.2Å; Y1322-C1326 PolarHBondContact O-SG 3.44Å; V1323-C1326 PolarHBondContact O-N 3.21Å; C1326-A1328 VanDerWaalsContact C-N 3.29Å; C1326-A1328 PolarHBondContact O-N 3.18Å; C1326-N1329 PolarHBondContact O-N 2.97Å; C1326-I1330 HydrophobicContact CB-CD1 4.01Å; C1326-I1330 WeakPolarHBondContact O-CA 3.34Å; C1326-I1330 VanDerWaalsContact O-CB 3.3Å; C1326-I1330 WeakPolarHBondContact O-CB 3.48Å; C1326-I1330 PolarHBondContact O-N 3.12Å
1327E90.2Very high89.5Confident109 Ų10948.1 Ų48.151%0.50928%0.283SS..Hα-helixtrans-60.7-36178.2-171.4165-151.800112.8V1309 V1323 A1324V1309-E1327 HydrophobicContact CG2-CB 3.63Å; V1309-E1327 HydrophobicContact CG2-CG 3.73Å; V1323-E1327 WeakPolarHBondContact O-CB 3.44Å; V1323-E1327 PolarHBondContact O-N 3.31Å; A1324-E1327 PolarHBondContact O-N 3.35Å
1328A89.1Confident89.6Confident73 Ų7351.2 Ų51.260%0.60330%0.302SS*.Hα-helixtrans-75-40.5177.800000113.4A1324 C1326A1324-A1328 WeakPolarHBondContact O-CB 3.11Å; A1324-A1328 PolarHBondContact O-N 3.44Å; C1326-A1328 VanDerWaalsContact C-N 3.29Å; C1326-A1328 PolarHBondContact O-N 3.18Å
1329N87.5Confident89.5Confident77 Ų7751.8 Ų51.841%0.41231%0.306SS..Hα-helixtrans-100.2-30.9-168.1-62.7-9.4000113.2A1325 C1326 E1347 L1348A1325-N1329 WeakPolarHBondContact O-CB 3.15Å; A1325-N1329 PolarHBondContact O-N 2.67Å; A1325-N1329 VanDerWaalsContact O-N 3.16Å; C1326-N1329 PolarHBondContact O-N 2.97Å; N1329-E1347 PolarHBondContact ND2-O 3.1Å; N1329-L1348 HydrophobicContact CB-CD2 4.19Å
1330I90.2Very high89.5Confident5 Ų551.4 Ų51.43%0.02630%0.304CS..  trans-104.4123.5-174.4-61.8162.2000110.9S1305 L1308 C1326 S1332 M1335 L1336 L1339 L1348S1305-I1330 WeakPolarHBondContact CB-O 3.4Å; S1305-I1330 PolarHBondContact OG-O 2.9Å; L1308-I1330 HydrophobicContact CD1-CG2 3.65Å; C1326-I1330 HydrophobicContact CB-CD1 4.01Å; C1326-I1330 WeakPolarHBondContact O-CA 3.34Å; C1326-I1330 VanDerWaalsContact O-CB 3.3Å; C1326-I1330 WeakPolarHBondContact O-CB 3.48Å; C1326-I1330 PolarHBondContact O-N 3.12Å; I1330-S1332 VanDerWaalsContact CG2-O 3.25Å; I1330-S1332 WeakPolarHBondContact CG2-O 3.28Å; I1330-M1335 HydrophobicContact CG2-CB 4.42Å; I1330-L1336 HydrophobicContact CD1-CB 4.02Å; I1330-L1336 HydrophobicContact CD1-CD1 3.72Å; I1330-L1336 HydrophobicContact CD1-CD2 4.42Å; I1330-L1336 HydrophobicContact CD1-CG 4.24Å; I1330-L1336 HydrophobicContact CG2-CB 3.98Å; I1330-L1339 HydrophobicContact CD1-CD1 4.26Å; I1330-L1348 HydrophobicContact CD1-CD1 4Å; I1330-L1348 HydrophobicContact CD1-CD2 3.77Å; I1330-L1348 HydrophobicContact CD1-CG 4.45Å; I1330-L1348 HydrophobicContact CG1-CD2 4.2Å
1331K90Very high89.3Confident160 Ų16049.2 Ų49.270%0.69628%0.28SS*.  trans-99.3-29.8-178.8-61175.4-173.41690113.4S1305 M1335S1305-K1331 PolarHBondContact N-O 2.97Å; K1331-M1335 HydrophobicContact CB-CE 4.08Å; K1331-M1335 HydrophobicContact CB-SD 4.3Å; K1331-M1335 HydrophobicContact CG-CE 4.48Å; K1331-M1335 PolarHBondContact N-SD 3.14Å
1332S90.4Very high89.4Confident39 Ų3946.3 Ų46.327%0.27327%0.273SS..BIsolated β-bridgetrans-143.1158.7-17761.10000112.4W1303 I1330 A1334 M1335 L1336W1303-S1332 CarbonylContact O-C 3.54Å; W1303-S1332 VanDerWaalsContact O-CA 3.28Å; W1303-S1332 WeakPolarHBondContact O-CA 3.37Å; I1330-S1332 VanDerWaalsContact CG2-O 3.25Å; I1330-S1332 WeakPolarHBondContact CG2-O 3.28Å; S1332-A1334 VanDerWaalsContact C-N 3.3Å; S1332-A1334 PolarHBondContact O-N 2.94Å; S1332-M1335 WeakPolarHBondContact O-CB 3.33Å; S1332-M1335 PolarHBondContact O-N 3.08Å; S1332-L1336 PolarHBondContact O-N 3.27Å
1333G91.1Very high89.2Confident0 Ų047.9 Ų47.90%028%0.282CS..Hα-helixtrans-67.4-29.5-178.800000113.4F1300 W1303 M1335 L1336 A1337F1300-G1333 WeakPolarHBondContact O-CA 3.36Å; W1303-G1333 PolarHBondContact O-N 3.08Å; G1333-M1335 VanDerWaalsContact C-N 3.31Å; G1333-M1335 PolarHBondContact O-N 3.25Å; G1333-L1336 PolarHBondContact O-N 3.45Å; G1333-A1337 WeakPolarHBondContact O-CB 3.35Å; G1333-A1337 PolarHBondContact O-N 3.48Å
1334A89.5Confident89.1Confident41 Ų4147.6 Ų47.634%0.33928%0.28SS..Hα-helixtrans-58.2-43.9171.100000111.6T1301 S1332 L1336 A1337 S1338T1301-A1334 HydrophobicContact CG2-CB 4.27Å; T1301-A1334 WeakPolarHBondContact O-CB 3.46Å; T1301-A1334 PolarHBondContact O-N 3.3Å; S1332-A1334 VanDerWaalsContact C-N 3.3Å; S1332-A1334 PolarHBondContact O-N 2.94Å; A1334-L1336 VanDerWaalsContact C-N 3.28Å; A1334-L1336 PolarHBondContact O-N 3.41Å; A1334-A1337 WeakPolarHBondContact O-CB 3.4Å; A1334-A1337 PolarHBondContact O-N 2.92Å; A1334-A1337 VanDerWaalsContact O-N 3.1Å; A1334-S1338 PolarHBondContact O-N 3.27Å; A1334-S1338 PolarHBondContact O-OG 3.26Å
1335M87.9Confident89Confident71 Ų7149.7 Ų49.735%0.3528%0.281SS..Hα-helixtrans-65.8-28.6179.2-174.7-175.9-67.200112.7I1330 K1331 S1332 G1333 S1338 L1339I1330-M1335 HydrophobicContact CG2-CB 4.42Å; K1331-M1335 HydrophobicContact CB-CE 4.08Å; K1331-M1335 HydrophobicContact CB-SD 4.3Å; K1331-M1335 HydrophobicContact CG-CE 4.48Å; K1331-M1335 PolarHBondContact N-SD 3.14Å; S1332-M1335 WeakPolarHBondContact O-CB 3.33Å; S1332-M1335 PolarHBondContact O-N 3.08Å; G1333-M1335 VanDerWaalsContact C-N 3.31Å; G1333-M1335 PolarHBondContact O-N 3.25Å; M1335-S1338 PolarHBondContact O-OG 2.93Å; M1335-L1339 WeakPolarHBondContact O-CD2 3.49Å; M1335-L1339 VanDerWaalsContact O-CG 3.29Å; M1335-L1339 WeakPolarHBondContact O-CG 3.44Å
1336L90.8Very high88.9Confident5 Ų556.2 Ų56.23%0.02630%0.3CS..Hα-helixtrans-79.4-33.3171175.754.2000112.4F1300 L1308 W1311 I1330 S1332 G1333 A1334 S1338 L1339 L1359 V1363F1300-L1336 HydrophobicContact CZ-CD2 4.13Å; L1308-L1336 HydrophobicContact CD2-CD2 4.49Å; W1311-L1336 HydrophobicContact CZ3-CD2 3.86Å; I1330-L1336 HydrophobicContact CD1-CB 4.02Å; I1330-L1336 HydrophobicContact CD1-CD1 3.72Å; I1330-L1336 HydrophobicContact CD1-CD2 4.42Å; I1330-L1336 HydrophobicContact CD1-CG 4.24Å; I1330-L1336 HydrophobicContact CG2-CB 3.98Å; S1332-L1336 PolarHBondContact O-N 3.27Å; G1333-L1336 PolarHBondContact O-N 3.45Å; A1334-L1336 VanDerWaalsContact C-N 3.28Å; A1334-L1336 PolarHBondContact O-N 3.41Å; L1336-S1338 VanDerWaalsContact C-N 3.3Å; L1336-S1338 PolarHBondContact O-N 2.91Å; L1336-L1339 HydrophobicContact CD1-CD1 4.26Å; L1336-L1359 HydrophobicContact CD1-CD1 4.27Å; L1336-L1359 HydrophobicContact CD1-CD2 4.07Å; L1336-L1359 HydrophobicContact CD1-CG 4.29Å; L1336-V1363 HydrophobicContact CD1-CG2 4.22Å; L1336-V1363 HydrophobicContact CD2-CG2 3.98Å; L1336-V1363 HydrophobicContact CG-CG2 3.8Å
1337A90Very high88.5Confident34 Ų3461.1 Ų61.128%0.28132%0.322SS..Hα-helixtrans-69.2-26.8177.400000113.2F1300 G1333 A1334 V1363 L1367F1300-A1337 HydrophobicContact CE1-CB 4.5Å; G1333-A1337 WeakPolarHBondContact O-CB 3.35Å; G1333-A1337 PolarHBondContact O-N 3.48Å; A1334-A1337 WeakPolarHBondContact O-CB 3.4Å; A1334-A1337 PolarHBondContact O-N 2.92Å; A1334-A1337 VanDerWaalsContact O-N 3.1Å; A1337-V1363 HydrophobicContact CB-CG1 4.33Å; A1337-L1367 HydrophobicContact CB-CD1 4.03Å; A1337-L1367 HydrophobicContact CB-CD2 4.36Å
1338S89.4Confident88.3Confident74 Ų7456.2 Ų56.252%0.51730%0.299SS..THydrogen-bonded Turntrans-89.7-5.8-178.760.40000115.5A1334 M1335 L1336 S1340A1334-S1338 PolarHBondContact O-N 3.27Å; A1334-S1338 PolarHBondContact O-OG 3.26Å; M1335-S1338 PolarHBondContact O-OG 2.93Å; L1336-S1338 VanDerWaalsContact C-N 3.3Å; L1336-S1338 PolarHBondContact O-N 2.91Å; S1338-S1340 PolarHBondContact O-N 3.45Å
1339L88.9Confident88.2Confident23 Ų2354.6 Ų54.612%0.1229%0.29CS..  trans-71.8128.2-177.3-58.7-175.7000111.8I1330 M1335 L1336 D1343 I1344 L1348I1330-L1339 HydrophobicContact CD1-CD1 4.26Å; M1335-L1339 WeakPolarHBondContact O-CD2 3.49Å; M1335-L1339 VanDerWaalsContact O-CG 3.29Å; M1335-L1339 WeakPolarHBondContact O-CG 3.44Å; L1336-L1339 HydrophobicContact CD1-CD1 4.26Å; L1339-D1343 HydrophobicContact CB-CB 4.31Å; L1339-D1343 HydrophobicContact CD2-CB 4.28Å; L1339-I1344 HydrophobicContact CB-CD1 4.31Å; L1339-I1344 HydrophobicContact CB-CG1 3.66Å; L1339-I1344 HydrophobicContact CD1-CG1 4.14Å; L1339-L1348 HydrophobicContact CD1-CD1 3.68Å; L1339-L1348 HydrophobicContact CD1-CG 4.05Å
1340S88.1Confident88.2Confident26 Ų2651 Ų5118%0.18227%0.271CS..  trans-70.6167.3171.5800000111.8S1338 Q1342 D1343 I1344S1338-S1340 PolarHBondContact O-N 3.45Å; S1340-Q1342 PolarHBondContact O-N 2.74Å; S1340-Q1342 PolarHBondContact OG-N 2.9Å; S1340-Q1342 VanDerWaalsContact OG-N 3.12Å; S1340-D1343 WeakPolarHBondContact CB-OD2 2.78Å; S1340-D1343 PolarHBondContact N-OD2 3.22Å; S1340-D1343 VanDerWaalsContact N-OD2 3.08Å; S1340-D1343 PolarHBondContact O-N 3.35Å; S1340-D1343 VanDerWaalsContact O-N 3.08Å; S1340-D1343 PolarHBondContact OG-N 2.88Å; S1340-D1343 VanDerWaalsContact OG-N 3.16Å; S1340-D1343 PolarHBondContact OG-OD2 2.9Å; S1340-I1344 VanDerWaalsContact O-CG1 3.31Å; S1340-I1344 WeakPolarHBondContact O-CG1 3.47Å; S1340-I1344 PolarHBondContact O-N 2.96Å
1341E85.7Confident88.1Confident35 Ų3561 Ų6116%0.16431%0.308CS..Hα-helixtrans-54.2-31.5169.3178.769.4-172.900112.1Q1345 R1356 R1360 Y1598E1341-Q1345 PolarHBondContact O-N 3.44Å; E1341-R1356 IonicContact OE1-CZ 2.67Å; E1341-R1356 IonicContact OE1-NE 3.17Å; E1341-R1356 PolarHBondContact OE1-NE 3.12Å; E1341-R1356 IonicContact OE1-NH2 3.74Å; E1341-R1356 PolarHBondContact OE1-NH2 3.02Å; E1341-R1356 IonicContact OE2-NE 3.93Å; E1341-R1360 IonicContact OE1-NH2 2.76Å; E1341-R1360 IonicContact OE2-CZ 2.67Å; E1341-R1360 IonicContact OE2-NE 3.93Å; E1341-R1360 PolarHBondContact OE2-NE 2.91Å; E1341-R1360 IonicContact OE2-NH2 3.13Å; E1341-R1360 PolarHBondContact OE2-NH2 3.24Å; E1341-Y1598 HydrophobicContact CB-CD1 4.28Å; E1341-Y1598 HydrophobicContact CB-CE1 4.14Å; E1341-Y1598 HydrophobicContact CG-CE1 4.33Å
1342Q87.6Confident88.1Confident99 Ų9954.9 Ų54.946%0.46328%0.284SS..Hα-helixtrans-75.4-37.2177.2-54.2-172.437.400111.9S1340 Q1345 R1346S1340-Q1342 PolarHBondContact O-N 2.74Å; S1340-Q1342 PolarHBondContact OG-N 2.9Å; S1340-Q1342 VanDerWaalsContact OG-N 3.12Å; Q1342-Q1345 CarbonylContact O-C 3.58Å; Q1342-Q1345 WeakPolarHBondContact O-CB 3.5Å; Q1342-Q1345 PolarHBondContact O-N 2.9Å; Q1342-R1346 WeakPolarHBondContact O-CB 3.49Å; Q1342-R1346 VanDerWaalsContact O-CG 3.3Å; Q1342-R1346 WeakPolarHBondContact O-CG 3.34Å; Q1342-R1346 PolarHBondContact O-N 3.48Å; Q1342-R1346 VanDerWaalsContact OE1-CZ 3.24Å
1343D87.9Confident88.1Confident42 Ų4255.1 Ų55.123%0.22528%0.284CS..Hα-helixtrans-78.1-37.3-176.6-48.6-44.1000111L1339 S1340 Q1345 R1346 E1347 L1348L1339-D1343 HydrophobicContact CB-CB 4.31Å; L1339-D1343 HydrophobicContact CD2-CB 4.28Å; S1340-D1343 WeakPolarHBondContact CB-OD2 2.78Å; S1340-D1343 PolarHBondContact N-OD2 3.22Å; S1340-D1343 VanDerWaalsContact N-OD2 3.08Å; S1340-D1343 PolarHBondContact O-N 3.35Å; S1340-D1343 VanDerWaalsContact O-N 3.08Å; S1340-D1343 PolarHBondContact OG-N 2.88Å; S1340-D1343 VanDerWaalsContact OG-N 3.16Å; S1340-D1343 PolarHBondContact OG-OD2 2.9Å; D1343-Q1345 PolarHBondContact O-N 3.49Å; D1343-R1346 PolarHBondContact O-N 2.89Å; D1343-R1346 IonicContact OD1-NH1 2.62Å; D1343-E1347 HydrophobicContact CB-CG 4.28Å; D1343-E1347 WeakPolarHBondContact O-CA 3.39Å; D1343-E1347 WeakPolarHBondContact O-CB 3.48Å; D1343-E1347 PolarHBondContact O-N 3.29Å; D1343-L1348 PolarHBondContact O-N 3.33Å
1344I89.1Confident88.2Confident3 Ų355.2 Ų55.22%0.01528%0.284CS..Hα-helixtrans-58.3-33.4167.4-61171000110.7L1339 S1340 L1348 I1350 R1356 L1359 R1360L1339-I1344 HydrophobicContact CB-CD1 4.31Å; L1339-I1344 HydrophobicContact CB-CG1 3.66Å; L1339-I1344 HydrophobicContact CD1-CG1 4.14Å; S1340-I1344 VanDerWaalsContact O-CG1 3.31Å; S1340-I1344 WeakPolarHBondContact O-CG1 3.47Å; S1340-I1344 PolarHBondContact O-N 2.96Å; I1344-L1348 HydrophobicContact CG2-CD1 4.35Å; I1344-L1348 WeakPolarHBondContact O-CB 3.49Å; I1344-I1350 HydrophobicContact CG2-CB 4.08Å; I1344-I1350 HydrophobicContact CG2-CD1 3.86Å; I1344-I1350 HydrophobicContact CG2-CG1 4.1Å; I1344-I1350 WeakPolarHBondContact O-CB 3.48Å; I1344-I1350 PolarHBondContact O-N 2.94Å; I1344-I1350 VanDerWaalsContact O-N 3.11Å; I1344-R1356 HydrophobicContact CB-CG 4.45Å; I1344-R1356 HydrophobicContact CG2-CB 4.04Å; I1344-R1356 HydrophobicContact CG2-CG 3.59Å; I1344-L1359 HydrophobicContact CG2-CD2 4Å; I1344-R1360 HydrophobicContact CD1-CG 3.69Å
1345Q88.8Confident88.5Confident93 Ų9353.8 Ų53.844%0.43527%0.271SS..Hα-helixtrans-78.1-38.6174.8-175.9171.2-34.600113.5E1341 Q1342 D1343 G1349 R1356E1341-Q1345 PolarHBondContact O-N 3.44Å; Q1342-Q1345 CarbonylContact O-C 3.58Å; Q1342-Q1345 WeakPolarHBondContact O-CB 3.5Å; Q1342-Q1345 PolarHBondContact O-N 2.9Å; D1343-Q1345 PolarHBondContact O-N 3.49Å; Q1345-G1349 CarbonylContact O-C 3.09Å; Q1345-G1349 WeakPolarHBondContact O-CA 3.46Å; Q1345-R1356 VanDerWaalsContact OE1-CZ 3.24Å
1346R85.8Confident88.8Confident165 Ų16551.2 Ų51.262%0.62326%0.257SS*.Hα-helixtrans-82.9-59.1-176.7-72.1174.2-176.1131.76.4112.7Q1342 D1343Q1342-R1346 WeakPolarHBondContact O-CB 3.49Å; Q1342-R1346 VanDerWaalsContact O-CG 3.3Å; Q1342-R1346 WeakPolarHBondContact O-CG 3.34Å; Q1342-R1346 PolarHBondContact O-N 3.48Å; Q1342-R1346 VanDerWaalsContact OE1-CZ 3.24Å; D1343-R1346 PolarHBondContact O-N 2.89Å; D1343-R1346 IonicContact OD1-NH1 2.62Å
1347E80.9Confident88.9Confident109 Ų10952 Ų5251%0.50926%0.262SS..THydrogen-bonded Turntrans-76.7-50.7-172.1-53.5-167.1144.100111.4N1329 D1343 G1349N1329-E1347 PolarHBondContact ND2-O 3.1Å; D1343-E1347 HydrophobicContact CB-CG 4.28Å; D1343-E1347 WeakPolarHBondContact O-CA 3.39Å; D1343-E1347 WeakPolarHBondContact O-CB 3.48Å; D1343-E1347 PolarHBondContact O-N 3.29Å; E1347-G1349 VanDerWaalsContact C-N 3.26Å; E1347-G1349 PolarHBondContact O-N 3.33Å
1348L85.5Confident89.1Confident6 Ų650.4 Ų50.43%0.03125%0.248CC..SBendtrans-82.4-4.3177.8-58.3-179.1000113N1329 I1330 L1339 D1343 I1344 I1350 L1359N1329-L1348 HydrophobicContact CB-CD2 4.19Å; I1330-L1348 HydrophobicContact CD1-CD1 4Å; I1330-L1348 HydrophobicContact CD1-CD2 3.77Å; I1330-L1348 HydrophobicContact CD1-CG 4.45Å; I1330-L1348 HydrophobicContact CG1-CD2 4.2Å; L1339-L1348 HydrophobicContact CD1-CD1 3.68Å; L1339-L1348 HydrophobicContact CD1-CG 4.05Å; D1343-L1348 PolarHBondContact O-N 3.33Å; I1344-L1348 HydrophobicContact CG2-CD1 4.35Å; I1344-L1348 WeakPolarHBondContact O-CB 3.49Å; L1348-I1350 HydrophobicContact CB-CD1 4.04Å; L1348-I1350 HydrophobicContact CB-CG1 3.73Å; L1348-I1350 HydrophobicContact CD1-CD1 4.33Å; L1348-I1350 WeakPolarHBondContact O-CG1 3.49Å; L1348-I1350 PolarHBondContact O-N 2.83Å; L1348-L1359 HydrophobicContact CD1-CD2 3.87Å
1349G86.2Confident89.3Confident40 Ų4047 Ų4741%0.41222%0.224SC..  trans65.616.417700000114.9Q1345 E1347 R1351Q1345-G1349 CarbonylContact O-C 3.09Å; Q1345-G1349 WeakPolarHBondContact O-CA 3.46Å; E1347-G1349 VanDerWaalsContact C-N 3.26Å; E1347-G1349 PolarHBondContact O-N 3.33Å; G1349-R1351 PolarHBondContact O-N 3.42Å
1350I89.2Confident89.5Confident2 Ų249 Ų491%0.0123%0.23CC..  trans-79.684.4-170.9-48.2-165.1000110.4Y1322 I1344 L1348 H1355 R1356 L1359Y1322-I1350 HydrophobicContact CD1-CD1 3.97Å; Y1322-I1350 HydrophobicContact CD1-CG1 3.79Å; Y1322-I1350 HydrophobicContact CE1-CB 3.99Å; Y1322-I1350 HydrophobicContact CE1-CD1 4.11Å; Y1322-I1350 HydrophobicContact CE1-CG1 3.57Å; Y1322-I1350 HydrophobicContact CE1-CG2 3.91Å; Y1322-I1350 HydrophobicContact CG-CD1 4.47Å; I1344-I1350 HydrophobicContact CG2-CB 4.08Å; I1344-I1350 HydrophobicContact CG2-CD1 3.86Å; I1344-I1350 HydrophobicContact CG2-CG1 4.1Å; I1344-I1350 WeakPolarHBondContact O-CB 3.48Å; I1344-I1350 PolarHBondContact O-N 2.94Å; I1344-I1350 VanDerWaalsContact O-N 3.11Å; L1348-I1350 HydrophobicContact CB-CD1 4.04Å; L1348-I1350 HydrophobicContact CB-CG1 3.73Å; L1348-I1350 HydrophobicContact CD1-CD1 4.33Å; L1348-I1350 WeakPolarHBondContact O-CG1 3.49Å; L1348-I1350 PolarHBondContact O-N 2.83Å; I1350-H1355 HydrophobicContact CG2-CB 3.44Å; I1350-H1355 VanDerWaalsContact CG2-CB 3.44Å; I1350-R1356 HydrophobicContact CB-CG 3.79Å; I1350-R1356 HydrophobicContact CG2-CG 3.52Å; I1350-R1356 VanDerWaalsContact O-CD 3.22Å; I1350-R1356 WeakPolarHBondContact O-CD 3.45Å; I1350-R1356 WeakPolarHBondContact O-CG 3.3Å; I1350-R1356 PolarHBondContact O-NH1 3.42Å; I1350-L1359 HydrophobicContact CD1-CD2 3.9Å
1351R86.8Confident89.7Confident214 Ų21449.2 Ų49.281%0.80823%0.229SC*.  trans-69.2-32.7-175.5-64.9-173.6-179-163.9-1.2115.2G1349 R1356G1349-R1351 PolarHBondContact O-N 3.42Å; R1351-R1356 PolarHBondContact O-NH1 2.89Å
1352N89.9Confident89.9Confident32 Ų3247.6 Ų47.617%0.17122%0.221CC..SBendtrans-76121.2180-176.7-9.1000110.3L1354 H1355 R1356N1352-L1354 VanDerWaalsContact C-N 3.27Å; N1352-L1354 PolarHBondContact O-N 2.94Å; N1352-L1354 PolarHBondContact OD1-N 2.69Å; N1352-H1355 HydrophobicContact CB-CB 4.23Å; N1352-H1355 PolarHBondContact ND2-CD2 3.41Å; N1352-H1355 PolarHBondContact ND2-NE2 2.88Å; N1352-H1355 WeakPolarHBondContact O-CB 3.34Å; N1352-H1355 PolarHBondContact O-N 3.16Å; N1352-H1355 VanDerWaalsContact O-N 3.08Å; N1352-R1356 PolarHBondContact O-N 2.99Å
1353P90.2Very high90.1Very high43 Ų4343.4 Ų43.428%0.27920%0.203SC..Hα-helixtrans-58.7-36179.624.2-34.9000113H1355 R1356 L1357P1353-H1355 VanDerWaalsContact C-N 3.26Å; P1353-H1355 PolarHBondContact O-N 2.71Å; P1353-R1356 PolarHBondContact O-N 3.21Å; P1353-R1356 VanDerWaalsContact O-N 3.14Å; P1353-L1357 WeakPolarHBondContact O-CB 3.3Å; P1353-L1357 PolarHBondContact O-N 2.81Å
1354L94.2Very high90Very high2 Ų247.8 Ų47.81%0.0122%0.221CC..Hα-helixtrans-65.8-29.1178.4-68.2-177.4000112.4N1352 L1357 K1358 C1429 M1435 L1439 D1443 H1447 L1448N1352-L1354 VanDerWaalsContact C-N 3.27Å; N1352-L1354 PolarHBondContact O-N 2.94Å; N1352-L1354 PolarHBondContact OD1-N 2.69Å; L1354-L1357 HydrophobicContact CD2-CD2 4.1Å; L1354-K1358 WeakPolarHBondContact O-CB 3.36Å; L1354-K1358 PolarHBondContact O-N 3.34Å; L1354-C1429 HydrophobicContact CB-CB 4.22Å; L1354-C1429 HydrophobicContact CD1-CB 3.73Å; L1354-M1435 HydrophobicContact CB-CE 3.85Å; L1354-M1435 HydrophobicContact CD2-CE 4.24Å; L1354-M1435 WeakPolarHBondContact O-CE 3.43Å; L1354-L1439 HydrophobicContact CD2-CD2 3.76Å; L1354-D1443 HydrophobicContact CD2-CB 4.21Å; L1354-H1447 HydrophobicContact CD1-CB 3.66Å; L1354-H1447 HydrophobicContact CG-CB 4.47Å; L1354-L1448 HydrophobicContact CD1-CD2 3.91Å; L1354-L1448 HydrophobicContact CD1-CG 4.17Å
1355H94.8Very high89.9Confident12 Ų1249.2 Ų49.26%0.05623%0.228CC..Hα-helixtrans-74-33.4175.1-61.3179.3000111.9Y1322 I1350 N1352 P1353 L1359 E1428 C1429Y1322-H1355 HydrophobicContact CE2-CB 4.2Å; Y1322-H1355 AromaticContact CE2-ND1 3.35Å; Y1322-H1355 WeakPolarHBondContact CE2-ND1 3.5Å; Y1322-H1355 AromaticContact CZ-ND1 3.52Å; Y1322-H1355 PolarHBondContact OH-ND1 3.28Å; I1350-H1355 HydrophobicContact CG2-CB 3.44Å; I1350-H1355 VanDerWaalsContact CG2-CB 3.44Å; N1352-H1355 HydrophobicContact CB-CB 4.23Å; N1352-H1355 PolarHBondContact ND2-CD2 3.41Å; N1352-H1355 PolarHBondContact ND2-NE2 2.88Å; N1352-H1355 WeakPolarHBondContact O-CB 3.34Å; N1352-H1355 PolarHBondContact O-N 3.16Å; N1352-H1355 VanDerWaalsContact O-N 3.08Å; P1353-H1355 VanDerWaalsContact C-N 3.26Å; P1353-H1355 PolarHBondContact O-N 2.71Å; H1355-L1359 PolarHBondContact O-N 3.12Å; H1355-E1428 PolarHBondContact CE1-O 3.49Å; H1355-E1428 PolarHBondContact NE2-O 2.81Å; H1355-C1429 VanDerWaalsContact CD2-C 3.48Å; H1355-C1429 PolarHBondContact CD2-O 3.32Å; H1355-C1429 VanDerWaalsContact CD2-O 3.28Å; H1355-C1429 VanDerWaalsContact NE2-C 3.27Å; H1355-C1429 VanDerWaalsContact NE2-CA 3.29Å; H1355-C1429 WeakPolarHBondContact NE2-CA 3.35Å
1356R94.6Very high89.8Confident16 Ų1644.8 Ų44.86%0.0621%0.207CC..Hα-helixtrans-71.4-42.7173.8-59-162-63.5-912.8111.6E1341 I1344 Q1345 I1350 R1351 N1352 P1353 K1358 L1359 R1360E1341-R1356 IonicContact OE1-CZ 2.67Å; E1341-R1356 IonicContact OE1-NE 3.17Å; E1341-R1356 PolarHBondContact OE1-NE 3.12Å; E1341-R1356 IonicContact OE1-NH2 3.74Å; E1341-R1356 PolarHBondContact OE1-NH2 3.02Å; E1341-R1356 IonicContact OE2-NE 3.93Å; I1344-R1356 HydrophobicContact CB-CG 4.45Å; I1344-R1356 HydrophobicContact CG2-CB 4.04Å; I1344-R1356 HydrophobicContact CG2-CG 3.59Å; Q1345-R1356 VanDerWaalsContact OE1-CZ 3.24Å; I1350-R1356 HydrophobicContact CB-CG 3.79Å; I1350-R1356 HydrophobicContact CG2-CG 3.52Å; I1350-R1356 VanDerWaalsContact O-CD 3.22Å; I1350-R1356 WeakPolarHBondContact O-CD 3.45Å; I1350-R1356 WeakPolarHBondContact O-CG 3.3Å; I1350-R1356 PolarHBondContact O-NH1 3.42Å; R1351-R1356 PolarHBondContact O-NH1 2.89Å; N1352-R1356 PolarHBondContact O-N 2.99Å; P1353-R1356 PolarHBondContact O-N 3.21Å; P1353-R1356 VanDerWaalsContact O-N 3.14Å; R1356-K1358 VanDerWaalsContact C-N 3.32Å; R1356-K1358 PolarHBondContact O-N 3.07Å; R1356-L1359 PolarHBondContact O-N 3.12Å; R1356-R1360 PolarHBondContact O-N 2.57Å
1357L94.2Very high89.8Confident23 Ų2339.5 Ų39.512%0.1219%0.191CC..Hα-helixtrans-55.2-47.1172.1-179.763.1000111.1P1353 L1354 L1359 R1360 L1361 H1438P1353-L1357 WeakPolarHBondContact O-CB 3.3Å; P1353-L1357 PolarHBondContact O-N 2.81Å; L1354-L1357 HydrophobicContact CD2-CD2 4.1Å; L1357-L1359 PolarHBondContact O-N 3.17Å; L1357-R1360 PolarHBondContact O-N 3.16Å; L1357-L1361 HydrophobicContact CD1-CD1 3.88Å; L1357-L1361 HydrophobicContact CD1-CG 4.02Å; L1357-L1361 HydrophobicContact CG-CD1 3.9Å; L1357-L1361 HydrophobicContact CG-CG 4.4Å; L1357-L1361 WeakPolarHBondContact O-CB 3.41Å; L1357-L1361 VanDerWaalsContact O-CG 3.31Å; L1357-L1361 WeakPolarHBondContact O-CG 3.34Å; L1357-L1361 PolarHBondContact O-N 2.93Å; L1357-H1438 HydrophobicContact CD1-CB 4.43Å; L1357-H1438 HydrophobicContact CD2-CB 4.2Å
1358K93.4Very high89.7Confident0 Ų037.2 Ų37.20%019%0.191CC..Hα-helixtrans-54.7-49.8174.8-168-179.7-1741750112.5V1316 G1317 M1318 L1354 R1356 A1362 H1406 L1430 D1432 M1435V1316-K1358 HydrophobicContact CG1-CG 4.41Å; V1316-K1358 WeakPolarHBondContact O-CE 3.5Å; V1316-K1358 PolarHBondContact O-NZ 3.31Å; G1317-K1358 PolarHBondContact O-NZ 2.97Å; M1318-K1358 HydrophobicContact CE-CB 4.06Å; M1318-K1358 HydrophobicContact CE-CD 3.86Å; M1318-K1358 HydrophobicContact CE-CG 4Å; M1318-K1358 HydrophobicContact SD-CD 4.25Å; L1354-K1358 WeakPolarHBondContact O-CB 3.36Å; L1354-K1358 PolarHBondContact O-N 3.34Å; R1356-K1358 VanDerWaalsContact C-N 3.32Å; R1356-K1358 PolarHBondContact O-N 3.07Å; K1358-A1362 WeakPolarHBondContact O-CB 3.42Å; K1358-A1362 PolarHBondContact O-N 2.97Å; K1358-A1362 VanDerWaalsContact O-N 3.07Å; K1358-H1406 PolarHBondContact NZ-ND1 2.87Å; K1358-L1430 HydrophobicContact CD-CB 4.03Å; K1358-L1430 VanDerWaalsContact CD-O 3.28Å; K1358-L1430 WeakPolarHBondContact CD-O 3.41Å; K1358-L1430 VanDerWaalsContact CE-O 3.3Å; K1358-L1430 WeakPolarHBondContact CE-O 3.41Å; K1358-L1430 PolarHBondContact NZ-O 2.6Å; K1358-D1432 WeakPolarHBondContact CE-OD2 3.46Å; K1358-M1435 HydrophobicContact CB-CE 4.35Å; K1358-M1435 HydrophobicContact CB-CG 4.29Å; K1358-M1435 HydrophobicContact CB-SD 3.48Å; K1358-M1435 WeakPolarHBondContact CB-SD 3.3Å; K1358-M1435 HydrophobicContact CD-SD 4.11Å; K1358-M1435 HydrophobicContact CG-CG 4.48Å; K1358-M1435 HydrophobicContact CG-SD 3.67Å
1359L93.2Very high89.6Confident2 Ų237.9 Ų37.91%0.0119%0.193CC..Hα-helixtrans-62.5-48.9-178.9-175.658.5000110.9L1312 M1318 L1336 I1344 L1348 I1350 H1355 R1356 L1357 A1362 V1363L1312-L1359 HydrophobicContact CD2-CD1 3.63Å; M1318-L1359 HydrophobicContact CE-CB 3.84Å; M1318-L1359 HydrophobicContact CE-CD1 4.28Å; L1336-L1359 HydrophobicContact CD1-CD1 4.27Å; L1336-L1359 HydrophobicContact CD1-CD2 4.07Å; L1336-L1359 HydrophobicContact CD1-CG 4.29Å; I1344-L1359 HydrophobicContact CG2-CD2 4Å; L1348-L1359 HydrophobicContact CD1-CD2 3.87Å; I1350-L1359 HydrophobicContact CD1-CD2 3.9Å; H1355-L1359 PolarHBondContact O-N 3.12Å; R1356-L1359 PolarHBondContact O-N 3.12Å; L1357-L1359 PolarHBondContact O-N 3.17Å; L1359-A1362 PolarHBondContact O-N 3.08Å; L1359-V1363 HydrophobicContact CD1-CG2 4.28Å; L1359-V1363 HydrophobicContact CG-CG2 4.5Å; L1359-V1363 WeakPolarHBondContact O-CB 3.29Å; L1359-V1363 VanDerWaalsContact O-CG2 3.28Å; L1359-V1363 WeakPolarHBondContact O-CG2 3.34Å; L1359-V1363 PolarHBondContact O-N 2.88Å
1360R92.8Very high89.5Confident66 Ų6636.1 Ų36.125%0.24918%0.175CC..Hα-helixtrans-62.1-43.9179.5-74.3-168.9-74.5105.7-8.4113E1341 I1344 R1356 L1357 V1363 H1364 Y1598E1341-R1360 IonicContact OE1-NH2 2.76Å; E1341-R1360 IonicContact OE2-CZ 2.67Å; E1341-R1360 IonicContact OE2-NE 3.93Å; E1341-R1360 PolarHBondContact OE2-NE 2.91Å; E1341-R1360 IonicContact OE2-NH2 3.13Å; E1341-R1360 PolarHBondContact OE2-NH2 3.24Å; I1344-R1360 HydrophobicContact CD1-CG 3.69Å; R1356-R1360 PolarHBondContact O-N 2.57Å; L1357-R1360 PolarHBondContact O-N 3.16Å; R1360-V1363 PolarHBondContact O-N 3.35Å; R1360-H1364 WeakPolarHBondContact O-CB 3.5Å; R1360-H1364 PolarHBondContact O-N 3.42Å; R1360-Y1598 PolarHBondContact NH2-OH 2.96Å
1361L92.1Very high88.9Confident30 Ų3038.9 Ų38.916%0.15720%0.198CC..Hα-helixtrans-63.5-41.9177.3-69.7174.5000111.7L1357 E1365 R1434 M1435 H1438L1357-L1361 HydrophobicContact CD1-CD1 3.88Å; L1357-L1361 HydrophobicContact CD1-CG 4.02Å; L1357-L1361 HydrophobicContact CG-CD1 3.9Å; L1357-L1361 HydrophobicContact CG-CG 4.4Å; L1357-L1361 WeakPolarHBondContact O-CB 3.41Å; L1357-L1361 VanDerWaalsContact O-CG 3.31Å; L1357-L1361 WeakPolarHBondContact O-CG 3.34Å; L1357-L1361 PolarHBondContact O-N 2.93Å; L1361-E1365 VanDerWaalsContact O-CB 3.26Å; L1361-E1365 WeakPolarHBondContact O-CB 3.44Å; L1361-E1365 PolarHBondContact O-N 3.21Å; L1361-R1434 HydrophobicContact CB-CB 4.43Å; L1361-M1435 HydrophobicContact CD1-CB 4.48Å; L1361-M1435 HydrophobicContact CD1-CG 4.09Å; L1361-H1438 HydrophobicContact CD1-CB 4.47Å
1362A90.9Very high88.1Confident0 Ų032.3 Ų32.30%019%0.185CC..Hα-helixtrans-67.9-38.1176.700000113W1311 V1316 K1358 L1359 M1366W1311-A1362 HydrophobicContact CH2-CB 4.24Å; W1311-A1362 HydrophobicContact CZ2-CB 3.93Å; W1311-A1362 WeakPolarHBondContact CZ2-O 3.48Å; V1316-A1362 HydrophobicContact CG1-CB 3.86Å; V1316-A1362 HydrophobicContact CG2-CB 3.88Å; K1358-A1362 WeakPolarHBondContact O-CB 3.42Å; K1358-A1362 PolarHBondContact O-N 2.97Å; K1358-A1362 VanDerWaalsContact O-N 3.07Å; L1359-A1362 PolarHBondContact O-N 3.08Å; A1362-M1366 WeakPolarHBondContact O-CB 3.31Å; A1362-M1366 PolarHBondContact O-N 3.46Å
1363V90.6Very high87.3Confident12 Ų1231.4 Ų31.47%0.07318%0.18CC..Hα-helixtrans-64.1-48.1174.2167.40000110.9F1300 W1311 L1336 A1337 L1359 R1360 M1366 L1367F1300-V1363 HydrophobicContact CE1-CG1 3.98Å; F1300-V1363 HydrophobicContact CE1-CG2 4.48Å; F1300-V1363 HydrophobicContact CZ-CG2 4.28Å; W1311-V1363 HydrophobicContact CH2-CG2 3.79Å; W1311-V1363 HydrophobicContact CZ3-CG2 4.35Å; L1336-V1363 HydrophobicContact CD1-CG2 4.22Å; L1336-V1363 HydrophobicContact CD2-CG2 3.98Å; L1336-V1363 HydrophobicContact CG-CG2 3.8Å; A1337-V1363 HydrophobicContact CB-CG1 4.33Å; L1359-V1363 HydrophobicContact CD1-CG2 4.28Å; L1359-V1363 HydrophobicContact CG-CG2 4.5Å; L1359-V1363 WeakPolarHBondContact O-CB 3.29Å; L1359-V1363 VanDerWaalsContact O-CG2 3.28Å; L1359-V1363 WeakPolarHBondContact O-CG2 3.34Å; L1359-V1363 PolarHBondContact O-N 2.88Å; R1360-V1363 PolarHBondContact O-N 3.35Å; V1363-M1366 PolarHBondContact O-N 3.07Å; V1363-L1367 HydrophobicContact CG1-CD1 3.85Å; V1363-L1367 WeakPolarHBondContact O-CG 3.37Å; V1363-L1367 PolarHBondContact O-N 2.98Å
1364H87Confident85.9Confident134 Ų13433.1 Ų33.162%0.6219%0.19SC*.Hα-helixtrans-62.4-43.8179-178.378.7000112.2R1360 M1366 L1367 A1368R1360-H1364 WeakPolarHBondContact O-CB 3.5Å; R1360-H1364 PolarHBondContact O-N 3.42Å; H1364-M1366 PolarHBondContact O-N 2.95Å; H1364-L1367 PolarHBondContact O-N 2.93Å; H1364-A1368 PolarHBondContact O-N 2.86Å
1365E86.4Confident83.8Confident33 Ų3336 Ų3615%0.15422%0.22CC..Hα-helixtrans-58.6-44.1173.2179.6-171-128.200112.1L1361 A1368 F1369 L1399 I1400 R1434L1361-E1365 VanDerWaalsContact O-CB 3.26Å; L1361-E1365 WeakPolarHBondContact O-CB 3.44Å; L1361-E1365 PolarHBondContact O-N 3.21Å; E1365-A1368 PolarHBondContact O-N 2.85Å; E1365-F1369 WeakPolarHBondContact O-CB 3.18Å; E1365-F1369 PolarHBondContact O-N 2.62Å; E1365-L1399 WeakPolarHBondContact OE1-CB 3.27Å; E1365-I1400 HydrophobicContact CG-CG1 3.75Å; E1365-I1400 PolarHBondContact OE1-N 3.16Å; E1365-R1434 VanDerWaalsContact OE2-CD 3.23Å; E1365-R1434 WeakPolarHBondContact OE2-CD 3.21Å; E1365-R1434 IonicContact OE2-CZ 3.65Å; E1365-R1434 IonicContact OE2-NE 3.01Å; E1365-R1434 IonicContact OE2-NH1 2.74Å; E1365-R1434 PolarHBondContact OE2-NH1 3.36Å
1366M86.4Confident81.4Confident0 Ų039.4 Ų39.40%024%0.242CC..Hα-helixtrans-72.8-32.8-178.9-170.554.870.700113F1300 W1303 W1311 W1315 A1362 V1363 H1364 F1369 T1370 I1400F1300-M1366 HydrophobicContact CB-CG 4.2Å; F1300-M1366 HydrophobicContact CD2-CB 4Å; F1300-M1366 HydrophobicContact CD2-CG 3.27Å; F1300-M1366 HydrophobicContact CE2-CB 4.23Å; F1300-M1366 HydrophobicContact CE2-CG 3.79Å; F1300-M1366 HydrophobicContact CG-CB 4.42Å; F1300-M1366 HydrophobicContact CG-CG 3.93Å; W1303-M1366 HydrophobicContact CH2-CE 3.97Å; W1303-M1366 HydrophobicContact CH2-CG 3.89Å; W1303-M1366 HydrophobicContact CH2-SD 3.53Å; W1303-M1366 VanDerWaalsContact CH2-SD 3.53Å; W1303-M1366 HydrophobicContact CZ2-CG 4.43Å; W1303-M1366 HydrophobicContact CZ2-SD 4.02Å; W1303-M1366 HydrophobicContact CZ3-CG 4.18Å; W1303-M1366 HydrophobicContact CZ3-SD 4.33Å; W1311-M1366 HydrophobicContact CZ2-CB 4.07Å; W1311-M1366 VanDerWaalsContact NE1-CE 3.31Å; W1315-M1366 HydrophobicContact CE3-CE 3.75Å; W1315-M1366 HydrophobicContact CZ3-CE 3.86Å; A1362-M1366 WeakPolarHBondContact O-CB 3.31Å; A1362-M1366 PolarHBondContact O-N 3.46Å; V1363-M1366 PolarHBondContact O-N 3.07Å; H1364-M1366 PolarHBondContact O-N 2.95Å; M1366-F1369 HydrophobicContact SD-CD1 3.79Å; M1366-T1370 HydrophobicContact CG-CG2 4.36Å; M1366-T1370 WeakPolarHBondContact O-CB 3.22Å; M1366-T1370 WeakPolarHBondContact O-CG2 3.35Å; M1366-T1370 PolarHBondContact O-N 3.29Å; M1366-T1370 PolarHBondContact O-OG1 2.86Å; M1366-T1370 HydrophobicContact SD-CG2 3.86Å; M1366-I1400 HydrophobicContact CE-CG2 3.67Å
1367L85.5Confident78.4Confident54 Ų5444.2 Ų44.228%0.28327%0.273SS..Hα-helixtrans-61.1-52.4169.5-76.5162.6000110.7F1300 T1301 A1337 V1363 H1364 F1369 T1370 A1371F1300-L1367 HydrophobicContact CB-CD2 4.2Å; F1300-L1367 HydrophobicContact CD1-CD2 3.86Å; F1300-L1367 HydrophobicContact CD1-CG 3.95Å; F1300-L1367 HydrophobicContact CG-CD2 4.48Å; T1301-L1367 HydrophobicContact CG2-CD2 4.18Å; A1337-L1367 HydrophobicContact CB-CD1 4.03Å; A1337-L1367 HydrophobicContact CB-CD2 4.36Å; V1363-L1367 HydrophobicContact CG1-CD1 3.85Å; V1363-L1367 WeakPolarHBondContact O-CG 3.37Å; V1363-L1367 PolarHBondContact O-N 2.98Å; H1364-L1367 PolarHBondContact O-N 2.93Å; L1367-F1369 PolarHBondContact O-N 3.37Å; L1367-T1370 PolarHBondContact O-N 3.1Å; L1367-T1370 PolarHBondContact O-OG1 3.49Å; L1367-A1371 WeakPolarHBondContact O-CB 3.44Å; L1367-A1371 PolarHBondContact O-N 2.93Å
1368A80.6Confident75.6Confident61 Ų6149.1 Ų49.150%0.50431%0.306SS..Hα-helixtrans-60-43178.300000112.4H1364 E1365 S1372H1364-A1368 PolarHBondContact O-N 2.86Å; E1365-A1368 PolarHBondContact O-N 2.85Å; A1368-S1372 PolarHBondContact O-N 2.79Å
1369F83.1Confident72.7Confident19 Ų1956.5 Ų56.58%0.08335%0.346CS..Hα-helixtrans-63.4-50176.6175.8-114.5000112.5I1294 E1365 M1366 L1367 A1371 S1372 L1373 A1396 I1400I1294-F1369 HydrophobicContact CD1-CE1 4.38Å; I1294-F1369 HydrophobicContact CG2-CE1 4.02Å; I1294-F1369 HydrophobicContact CG2-CZ 4.27Å; E1365-F1369 WeakPolarHBondContact O-CB 3.18Å; E1365-F1369 PolarHBondContact O-N 2.62Å; M1366-F1369 HydrophobicContact SD-CD1 3.79Å; L1367-F1369 PolarHBondContact O-N 3.37Å; F1369-A1371 PolarHBondContact O-N 3.24Å; F1369-S1372 WeakPolarHBondContact O-CB 3.49Å; F1369-S1372 PolarHBondContact O-N 3.22Å; F1369-S1372 VanDerWaalsContact O-N 3.14Å; F1369-S1372 PolarHBondContact O-OG 2.89Å; F1369-L1373 HydrophobicContact CD1-CD1 4.37Å; F1369-L1373 HydrophobicContact CE1-CD1 3.76Å; F1369-L1373 HydrophobicContact CE2-CD1 4.47Å; F1369-L1373 HydrophobicContact CE2-CD2 4.41Å; F1369-L1373 HydrophobicContact CE2-CG 4.46Å; F1369-L1373 HydrophobicContact CZ-CD1 3.81Å; F1369-L1373 HydrophobicContact CZ-CD2 4.31Å; F1369-L1373 HydrophobicContact CZ-CG 4.26Å; F1369-L1373 PolarHBondContact O-N 3.43Å; F1369-A1396 HydrophobicContact CD2-CB 4.5Å; F1369-A1396 HydrophobicContact CE1-CB 4.44Å; F1369-A1396 HydrophobicContact CE2-CB 3.64Å; F1369-A1396 HydrophobicContact CZ-CB 3.61Å; F1369-I1400 HydrophobicContact CB-CD1 3.86Å; F1369-I1400 HydrophobicContact CD1-CD1 4.49Å; F1369-I1400 HydrophobicContact CD1-CG2 4.12Å; F1369-I1400 HydrophobicContact CD2-CD1 3.63Å; F1369-I1400 HydrophobicContact CE1-CG2 4.46Å; F1369-I1400 HydrophobicContact CE2-CD1 4.33Å; F1369-I1400 HydrophobicContact CG-CD1 3.73Å; F1369-I1400 HydrophobicContact CG-CG2 4.36Å
1370T83Confident69.7Low4 Ų461.9 Ų61.93%0.02538%0.383CS..Hα-helixtrans-70.1-32.2-177.455.20000112.8F1300 W1303 M1366 L1367 S1372 L1373 T1374F1300-T1370 HydrophobicContact CB-CG2 4.23Å; F1300-T1370 WeakPolarHBondContact CB-OG1 3.45Å; F1300-T1370 PolarHBondContact N-OG1 3.22Å; W1303-T1370 HydrophobicContact CZ2-CG2 3.88Å; M1366-T1370 HydrophobicContact CG-CG2 4.36Å; M1366-T1370 WeakPolarHBondContact O-CB 3.22Å; M1366-T1370 WeakPolarHBondContact O-CG2 3.35Å; M1366-T1370 PolarHBondContact O-N 3.29Å; M1366-T1370 PolarHBondContact O-OG1 2.86Å; M1366-T1370 HydrophobicContact SD-CG2 3.86Å; L1367-T1370 PolarHBondContact O-N 3.1Å; L1367-T1370 PolarHBondContact O-OG1 3.49Å; T1370-S1372 VanDerWaalsContact C-N 3.29Å; T1370-S1372 PolarHBondContact O-N 3.02Å; T1370-L1373 WeakPolarHBondContact O-CB 3.47Å; T1370-L1373 PolarHBondContact O-N 3.33Å; T1370-L1373 VanDerWaalsContact O-N 3.12Å; T1370-T1374 PolarHBondContact O-N 3.27Å
1371A76.7Confident66.6Low59 Ų5964.7 Ų64.749%0.48841%0.408SS..Hα-helixtrans-60.5-38169.400000112.3L1367 F1369 L1373 T1374 G1375L1367-A1371 WeakPolarHBondContact O-CB 3.44Å; L1367-A1371 PolarHBondContact O-N 2.93Å; F1369-A1371 PolarHBondContact O-N 3.24Å; A1371-L1373 PolarHBondContact O-N 3.34Å; A1371-T1374 PolarHBondContact O-N 3.45Å; A1371-T1374 PolarHBondContact O-OG1 2.75Å; A1371-G1375 PolarHBondContact O-N 3.4Å
1372S70.9Confident63.6Low76 Ų7671.7 Ų71.753%0.53144%0.437SS..Hα-helixtrans-67-21.9175.781.10000113.9A1368 F1369 T1370A1368-S1372 PolarHBondContact O-N 2.79Å; F1369-S1372 WeakPolarHBondContact O-CB 3.49Å; F1369-S1372 PolarHBondContact O-N 3.22Å; F1369-S1372 VanDerWaalsContact O-N 3.14Å; F1369-S1372 PolarHBondContact O-OG 2.89Å; T1370-S1372 VanDerWaalsContact C-N 3.29Å; T1370-S1372 PolarHBondContact O-N 3.02Å
1373L71.6Confident60.7Low14 Ų1479.3 Ų79.37%0.07348%0.478CS..Hα-helixtrans-83.3-30.4176.6-64.3177.2000113I1294 N1297 F1369 T1370 A1371I1294-L1373 HydrophobicContact CG2-CD1 4.04Å; N1297-L1373 HydrophobicContact CB-CB 4.29Å; N1297-L1373 PolarHBondContact ND2-O 2.85Å; F1369-L1373 HydrophobicContact CD1-CD1 4.37Å; F1369-L1373 HydrophobicContact CE1-CD1 3.76Å; F1369-L1373 HydrophobicContact CE2-CD1 4.47Å; F1369-L1373 HydrophobicContact CE2-CD2 4.41Å; F1369-L1373 HydrophobicContact CE2-CG 4.46Å; F1369-L1373 HydrophobicContact CZ-CD1 3.81Å; F1369-L1373 HydrophobicContact CZ-CD2 4.31Å; F1369-L1373 HydrophobicContact CZ-CG 4.26Å; F1369-L1373 PolarHBondContact O-N 3.43Å; T1370-L1373 WeakPolarHBondContact O-CB 3.47Å; T1370-L1373 PolarHBondContact O-N 3.33Å; T1370-L1373 VanDerWaalsContact O-N 3.12Å; A1371-L1373 PolarHBondContact O-N 3.34Å
1374T62.6Low57.8Low79 Ų7982.2 Ų82.249%0.48551%0.51SS..Hα-helixtrans-78.2-22179.548.90000113.2P1299 T1370 A1371 T1376P1299-T1374 HydrophobicContact CB-CG2 4.38Å; T1370-T1374 PolarHBondContact O-N 3.27Å; A1371-T1374 PolarHBondContact O-N 3.45Å; A1371-T1374 PolarHBondContact O-OG1 2.75Å; T1374-T1376 PolarHBondContact O-N 2.73Å
1375G50.3Low55Low63 Ų6383.7 Ų83.765%0.64952%0.517SS*.THydrogen-bonded Turntrans-69.7-6.6-177.100000116.4A1371 T1377A1371-G1375 PolarHBondContact O-N 3.4Å; G1375-T1377 PolarHBondContact O-N 3.35Å
1376T44.2Very low52.4Low83 Ų8388.7 Ų88.751%0.50955%0.55SS.*SBendtrans-88.1105.7179.761.30000111.9T1374T1374-T1376 PolarHBondContact O-N 2.73Å
1377T30.7Very low49.8Very low116 Ų11692 Ų9271%0.71257%0.574SS**  trans-54125.317952.50000112.7G1375 N1379G1375-T1377 PolarHBondContact O-N 3.35Å; T1377-N1379 PolarHBondContact O-N 3.5Å
1378P36.4Very low47.2Very low127 Ų12794.1 Ų94.183%0.82559%0.589SS**  trans-80.483.5-171.132-36.3000112.8S1380P1378-S1380 PolarHBondContact O-N 3.22Å
1379N32.1Very low45Very low155 Ų15593.6 Ų93.683%0.82958%0.581SS**  trans-66.892.9171.7-95.3-37.6000111.3T1377 T1381T1377-N1379 PolarHBondContact O-N 3.5Å; N1379-T1381 PolarHBondContact O-N 3.18Å; N1379-T1381 VanDerWaalsContact O-N 3.12Å
1380S28.5Very low42.4Very low115 Ų11599.2 Ų99.280%0.80461%0.61SS**  trans-70.4100.9-179.7-177.40000112.1P1378P1378-S1380 PolarHBondContact O-N 3.22Å
1381T29.2Very low40.2Very low125 Ų125105.7 Ų105.777%0.76764%0.637SS**  trans-147.684.2160.3-43.10000113.3N1379N1379-T1381 PolarHBondContact O-N 3.18Å; N1379-T1381 VanDerWaalsContact O-N 3.12Å
1382K29Very low38.3Very low176 Ų176106 Ų10677%0.76563%0.629SS**  trans46.8114.3142.8-63.3178.3179.9176.30119.7
1383N29.6Very low36.7Very low161 Ų161103.5 Ų103.586%0.86161%0.609SS**  trans7287.2135.7-53.32.4000118.3
1384G29Very low35.2Very low72 Ų72109.7 Ų109.774%0.74264%0.638SS**  trans166.2134.1160.100000113.5
1385E29.3Very low33.9Very low166 Ų166112.8 Ų112.878%0.77665%0.65SS**  trans52.1108.3160.6-56.7-170.2-169.600119.3S1387E1385-S1387 PolarHBondContact O-N 3.46Å
1386T32Very low33.8Very low138 Ų138110 Ų11085%0.84762%0.621SS**THydrogen-bonded Turntrans-70.219.8173.645.60000115.2T1388T1386-T1388 PolarHBondContact O-N 3.3Å
1387S30.9Very low34.4Very low70 Ų70108.9 Ų108.949%0.4962%0.616SS.*Hα-helixtrans-76.8-16.1-173.8-71.50000114.8E1385E1385-S1387 PolarHBondContact O-N 3.46Å
1388T32Very low35.7Very low97 Ų97104.6 Ų104.660%0.59559%0.591SS**Hα-helixtrans-80.2-44.8-171.8-45.80000113.1T1386 M1390 K1391 Q1392T1386-T1388 PolarHBondContact O-N 3.3Å; T1388-M1390 VanDerWaalsContact C-N 3.29Å; T1388-M1390 PolarHBondContact O-N 3.2Å; T1388-K1391 WeakPolarHBondContact O-CB 3.28Å; T1388-K1391 PolarHBondContact O-N 3.1Å; T1388-Q1392 PolarHBondContact O-N 2.79Å
1389S33.8Very low36.9Very low50 Ų5099.9 Ų99.935%0.3556%0.558SS.*Hα-helixtrans-63.6-32.5-176.7-48.30000113K1391 Q1392 L1393S1389-K1391 VanDerWaalsContact C-N 3.29Å; S1389-K1391 PolarHBondContact O-N 3.11Å; S1389-Q1392 PolarHBondContact O-N 2.82Å; S1389-L1393 PolarHBondContact O-N 2.89Å; S1389-L1393 VanDerWaalsContact O-N 3.12Å
1390M29.4Very low38.1Very low138 Ų13892.8 Ų92.868%0.6852%0.521SS*.Hα-helixtrans-70.7-25.2175.6-157.7-175.1-61.900112.3T1388 H1394T1388-M1390 VanDerWaalsContact C-N 3.29Å; T1388-M1390 PolarHBondContact O-N 3.2Å; M1390-H1394 PolarHBondContact O-N 3.31Å
1391K36.2Very low39.6Very low139 Ų13989.2 Ų89.260%0.60449%0.49SS*.Hα-helixtrans-72.8-40.3170.6-68.5-178.8178.4179.80111.5T1388 S1389 L1393 H1394 L1395T1388-K1391 WeakPolarHBondContact O-CB 3.28Å; T1388-K1391 PolarHBondContact O-N 3.1Å; S1389-K1391 VanDerWaalsContact C-N 3.29Å; S1389-K1391 PolarHBondContact O-N 3.11Å; K1391-L1393 VanDerWaalsContact C-N 3.33Å; K1391-L1393 PolarHBondContact O-N 3.2Å; K1391-H1394 CarbonylContact O-C 3.58Å; K1391-H1394 WeakPolarHBondContact O-CA 3.33Å; K1391-H1394 VanDerWaalsContact O-CB 3.29Å; K1391-H1394 WeakPolarHBondContact O-CB 3.35Å; K1391-H1394 PolarHBondContact O-N 3.26Å; K1391-L1395 WeakPolarHBondContact O-CD1 3.48Å; K1391-L1395 PolarHBondContact O-N 2.87Å
1392Q37.5Very low41.4Very low67 Ų6783.6 Ų83.631%0.31346%0.457SS..Hα-helixtrans-59.4-42.1173.4-78.5172.9-47.100112.1T1388 S1389 H1394 L1395 A1396T1388-Q1392 PolarHBondContact O-N 2.79Å; S1389-Q1392 PolarHBondContact O-N 2.82Å; Q1392-H1394 PolarHBondContact O-N 3.19Å; Q1392-H1394 VanDerWaalsContact O-N 3.09Å; Q1392-L1395 PolarHBondContact O-N 3.42Å; Q1392-A1396 PolarHBondContact O-N 3.04Å
1393L36.4Very low43.4Very low23 Ų2378.6 Ų78.612%0.1244%0.437CS..Hα-helixtrans-62.9-14.7172.3-125.1169.7000113.4E1291 I1294 R1295 W1315 S1389 K1391 K1401E1291-L1393 HydrophobicContact CB-CD1 4.19Å; E1291-L1393 HydrophobicContact CG-CD1 3.96Å; I1294-L1393 HydrophobicContact CG2-CG 4.43Å; R1295-L1393 HydrophobicContact CG-CD1 4.43Å; W1315-L1393 HydrophobicContact CH2-CD2 4.41Å; S1389-L1393 PolarHBondContact O-N 2.89Å; S1389-L1393 VanDerWaalsContact O-N 3.12Å; K1391-L1393 VanDerWaalsContact C-N 3.33Å; K1391-L1393 PolarHBondContact O-N 3.2Å; L1393-K1401 WeakPolarHBondContact O-CE 3.42Å; L1393-K1401 PolarHBondContact O-NZ 2.9Å
1394H39Very low46Very low144 Ų14471.1 Ų71.167%0.66740%0.397SS*.Hα-helixtrans-93.5-12.3173.1-144.1-51.2000114M1390 K1391 Q1392M1390-H1394 PolarHBondContact O-N 3.31Å; K1391-H1394 CarbonylContact O-C 3.58Å; K1391-H1394 WeakPolarHBondContact O-CA 3.33Å; K1391-H1394 VanDerWaalsContact O-CB 3.29Å; K1391-H1394 WeakPolarHBondContact O-CB 3.35Å; K1391-H1394 PolarHBondContact O-N 3.26Å; Q1392-H1394 PolarHBondContact O-N 3.19Å; Q1392-H1394 VanDerWaalsContact O-N 3.09Å
1395L36Very low48.8Very low144 Ų14469.1 Ų69.175%0.75437%0.369SS*.Hα-helixtrans-87-19.1170.2-8676.9000112.8K1391 Q1392 S1397K1391-L1395 WeakPolarHBondContact O-CD1 3.48Å; K1391-L1395 PolarHBondContact O-N 2.87Å; Q1392-L1395 PolarHBondContact O-N 3.42Å; L1395-S1397 PolarHBondContact O-N 3.33Å; L1395-S1397 VanDerWaalsContact O-N 3.14Å
1396A48.5Very low51.7Low4 Ų462.1 Ų62.13%0.03334%0.336CS..SBendtrans-57.4117.5170.900000110.6F1369 Q1392 I1400 K1401F1369-A1396 HydrophobicContact CD2-CB 4.5Å; F1369-A1396 HydrophobicContact CE1-CB 4.44Å; F1369-A1396 HydrophobicContact CE2-CB 3.64Å; F1369-A1396 HydrophobicContact CZ-CB 3.61Å; Q1392-A1396 PolarHBondContact O-N 3.04Å; A1396-I1400 HydrophobicContact CB-CD1 4.46Å; A1396-K1401 WeakPolarHBondContact O-CE 3.39Å
1397S56.4Low54.5Low59 Ų5960.3 Ų60.341%0.41332%0.318SS..  trans-48.3144.4-179.2-48.70000112.3L1395 L1399 I1400L1395-S1397 PolarHBondContact O-N 3.33Å; L1395-S1397 VanDerWaalsContact O-N 3.14Å; S1397-L1399 PolarHBondContact O-N 3.47Å; S1397-I1400 WeakPolarHBondContact O-CB 3.22Å; S1397-I1400 PolarHBondContact O-N 2.71Å
1398P57.6Low57.4Low26 Ų2657.3 Ų57.317%0.16930%0.296CS..THydrogen-bonded Turntrans-56.9-28.7-174.8-26.134.3000115E1403 Y1471 D1472P1398-E1403 PolarHBondContact O-N 3.04Å; P1398-Y1471 WeakPolarHBondContact CB-O 3.28Å; P1398-D1472 HydrophobicContact CG-CB 4.5Å
1399L61.7Low60.3Low28 Ų2852.7 Ų52.715%0.14727%0.268CS..THydrogen-bonded Turntrans-65.3-42.7176.5-5583.9000111.8E1365 S1397 K1401 G1402 L1404 R1434 Y1471E1365-L1399 WeakPolarHBondContact OE1-CB 3.27Å; S1397-L1399 PolarHBondContact O-N 3.47Å; L1399-K1401 VanDerWaalsContact C-N 3.29Å; L1399-K1401 PolarHBondContact O-N 2.65Å; L1399-G1402 PolarHBondContact O-N 3.48Å; L1399-L1404 HydrophobicContact CG-CD1 4.32Å; L1399-R1434 HydrophobicContact CB-CG 4.01Å; L1399-R1434 HydrophobicContact CD2-CG 3.68Å; L1399-R1434 HydrophobicContact CG-CG 4.44Å; L1399-R1434 PolarHBondContact O-NH1 2.88Å; L1399-Y1471 HydrophobicContact CD1-CG 4.2Å; L1399-Y1471 HydrophobicContact CD2-CD1 4.38Å; L1399-Y1471 HydrophobicContact CD2-CG 4.33Å
1400I58.6Low63.1Low7 Ų750.3 Ų50.34%0.03625%0.251CS..THydrogen-bonded Turntrans-57.4-44179.6-58.4174000110.4W1315 E1365 M1366 F1369 A1396 S1397 G1402W1315-I1400 HydrophobicContact CE3-CG2 4.16Å; W1315-I1400 HydrophobicContact CZ3-CG2 3.84Å; E1365-I1400 HydrophobicContact CG-CG1 3.75Å; E1365-I1400 PolarHBondContact OE1-N 3.16Å; M1366-I1400 HydrophobicContact CE-CG2 3.67Å; F1369-I1400 HydrophobicContact CB-CD1 3.86Å; F1369-I1400 HydrophobicContact CD1-CD1 4.49Å; F1369-I1400 HydrophobicContact CD1-CG2 4.12Å; F1369-I1400 HydrophobicContact CD2-CD1 3.63Å; F1369-I1400 HydrophobicContact CE1-CG2 4.46Å; F1369-I1400 HydrophobicContact CE2-CD1 4.33Å; F1369-I1400 HydrophobicContact CG-CD1 3.73Å; F1369-I1400 HydrophobicContact CG-CG2 4.36Å; A1396-I1400 HydrophobicContact CB-CD1 4.46Å; S1397-I1400 WeakPolarHBondContact O-CB 3.22Å; S1397-I1400 PolarHBondContact O-N 2.71Å; I1400-G1402 PolarHBondContact O-N 2.95Å
1401K60.2Low66.2Low39 Ų3947.1 Ų47.117%0.1724%0.237CC..THydrogen-bonded Turntrans-70.8-10.5-179.2-66.2176.7-179.5169.70114.2L1393 A1396 L1399 E1403L1393-K1401 WeakPolarHBondContact O-CE 3.42Å; L1393-K1401 PolarHBondContact O-NZ 2.9Å; A1396-K1401 WeakPolarHBondContact O-CE 3.39Å; L1399-K1401 VanDerWaalsContact C-N 3.29Å; L1399-K1401 PolarHBondContact O-N 2.65Å; K1401-E1403 VanDerWaalsContact C-N 3.28Å; K1401-E1403 HydrophobicContact CB-CG 4.01Å; K1401-E1403 VanDerWaalsContact CD-OE1 3.26Å; K1401-E1403 WeakPolarHBondContact CD-OE1 3.12Å; K1401-E1403 PolarHBondContact O-N 3.08Å
1402G66Low68.8Low7 Ų743.7 Ų43.77%0.07223%0.227CC..THydrogen-bonded Turntrans72.614.3-174.700000114.9W1315 L1399 I1400 L1404 N1405W1315-G1402 WeakPolarHBondContact O-CA 3.41Å; L1399-G1402 PolarHBondContact O-N 3.48Å; I1400-G1402 PolarHBondContact O-N 2.95Å; G1402-L1404 PolarHBondContact O-N 3.48Å; G1402-N1405 WeakPolarHBondContact O-CB 3.47Å; G1402-N1405 PolarHBondContact O-N 3.25Å; G1402-N1405 VanDerWaalsContact O-N 3.15Å
1403E72.2Confident71.6Confident71 Ų7140.7 Ų40.733%0.33221%0.213SC..THydrogen-bonded Turntrans-64.1-25.1179.2-68.7178.1-15900112.3P1398 K1401 R1473P1398-E1403 PolarHBondContact O-N 3.04Å; K1401-E1403 VanDerWaalsContact C-N 3.28Å; K1401-E1403 HydrophobicContact CB-CG 4.01Å; K1401-E1403 VanDerWaalsContact CD-OE1 3.26Å; K1401-E1403 WeakPolarHBondContact CD-OE1 3.12Å; K1401-E1403 PolarHBondContact O-N 3.08Å; E1403-R1473 VanDerWaalsContact O-CD 3.23Å; E1403-R1473 WeakPolarHBondContact O-CD 3.42Å; E1403-R1473 PolarHBondContact O-NH1 3.08Å
1404L82.9Confident74.4Confident5 Ų539.6 Ų39.63%0.02621%0.207CC..THydrogen-bonded Turntrans-104.138.4175.1-67178.9000113L1399 G1402 W1408 A1433 Y1471 R1473L1399-L1404 HydrophobicContact CG-CD1 4.32Å; G1402-L1404 PolarHBondContact O-N 3.48Å; L1404-W1408 HydrophobicContact CD2-CD2 3.89Å; L1404-W1408 HydrophobicContact CD2-CE3 3.41Å; L1404-W1408 VanDerWaalsContact CD2-CE3 3.41Å; L1404-W1408 HydrophobicContact CD2-CH2 3.61Å; L1404-W1408 HydrophobicContact CD2-CZ2 4.06Å; L1404-W1408 HydrophobicContact CD2-CZ3 3.27Å; L1404-A1433 HydrophobicContact CB-CB 3.64Å; L1404-A1433 HydrophobicContact CD1-CB 3.85Å; L1404-A1433 HydrophobicContact CG-CB 4.35Å; L1404-A1433 PolarHBondContact O-N 3.29Å; L1404-Y1471 HydrophobicContact CD1-CD1 4.12Å; L1404-Y1471 HydrophobicContact CD1-CG 4.4Å; L1404-Y1471 WeakPolarHBondContact CD1-O 3.23Å; L1404-R1473 HydrophobicContact CD2-CB 3.76Å; L1404-R1473 HydrophobicContact CD2-CG 4.18Å; L1404-R1473 HydrophobicContact CG-CB 4.28Å
1405N87.6Confident77.1Confident30 Ų3034.4 Ų34.416%0.1619%0.186CC..  trans-63.7172.2177.574.214.2000112.8G1402 E1407 W1408 I1409G1402-N1405 WeakPolarHBondContact O-CB 3.47Å; G1402-N1405 PolarHBondContact O-N 3.25Å; G1402-N1405 VanDerWaalsContact O-N 3.15Å; N1405-E1407 PolarHBondContact O-N 3.05Å; N1405-E1407 WeakPolarHBondContact OD1-CA 3.49Å; N1405-E1407 WeakPolarHBondContact OD1-CB 3.41Å; N1405-E1407 PolarHBondContact OD1-N 3.36Å; N1405-W1408 PolarHBondContact O-N 3.48Å; N1405-W1408 VanDerWaalsContact O-N 3.11Å; N1405-W1408 PolarHBondContact OD1-N 2.97Å; N1405-I1409 PolarHBondContact O-N 2.92Å
1406H90.7Very high80Confident18 Ų1827.8 Ų27.88%0.08315%0.153CC..Hα-helixtrans-57.5-27.8177.171.5-56.6000115.3G1317 K1358 G1410 L1430 V1431 D1432G1317-H1406 PolarHBondContact O-CE1 3.44Å; G1317-H1406 PolarHBondContact O-ND1 3.48Å; K1358-H1406 PolarHBondContact NZ-ND1 2.87Å; H1406-G1410 PolarHBondContact O-N 2.61Å; H1406-L1430 VanDerWaalsContact CB-C 3.47Å; H1406-L1430 WeakPolarHBondContact CB-O 3.47Å; H1406-V1431 VanDerWaalsContact CA-O 3.23Å; H1406-V1431 WeakPolarHBondContact CA-O 3.39Å; H1406-V1431 VanDerWaalsContact CB-O 3.29Å; H1406-V1431 WeakPolarHBondContact CB-O 3.5Å; H1406-D1432 HydrophobicContact CB-CB 4.46Å
1407E90.6Very high82.3Confident100 Ų10027.8 Ų27.847%0.46715%0.152SC..Hα-helixtrans-70.9-41175.7-52.5-176130.400111N1405 N1411 M1427N1405-E1407 PolarHBondContact O-N 3.05Å; N1405-E1407 WeakPolarHBondContact OD1-CA 3.49Å; N1405-E1407 WeakPolarHBondContact OD1-CB 3.41Å; N1405-E1407 PolarHBondContact OD1-N 3.36Å; E1407-N1411 WeakPolarHBondContact O-CA 3.44Å; E1407-N1411 WeakPolarHBondContact O-CB 3.48Å; E1407-N1411 PolarHBondContact O-N 3.19Å; E1407-N1411 PolarHBondContact O-ND2 3.44Å; E1407-M1427 HydrophobicContact CG-CE 4.36Å
1408W91.4Very high84.1Confident8 Ų825 Ų253%0.0313%0.133CC..Hα-helixtrans-67.2-42.7173.4-175.387.1000111.4L1404 N1405 V1412 W1413 L1466 R1473 I1476 E1477L1404-W1408 HydrophobicContact CD2-CD2 3.89Å; L1404-W1408 HydrophobicContact CD2-CE3 3.41Å; L1404-W1408 VanDerWaalsContact CD2-CE3 3.41Å; L1404-W1408 HydrophobicContact CD2-CH2 3.61Å; L1404-W1408 HydrophobicContact CD2-CZ2 4.06Å; L1404-W1408 HydrophobicContact CD2-CZ3 3.27Å; N1405-W1408 PolarHBondContact O-N 3.48Å; N1405-W1408 VanDerWaalsContact O-N 3.11Å; N1405-W1408 PolarHBondContact OD1-N 2.97Å; W1408-V1412 HydrophobicContact CG-CB 4.32Å; W1408-V1412 WeakPolarHBondContact O-CA 3.34Å; W1408-V1412 WeakPolarHBondContact O-CB 3.12Å; W1408-V1412 PolarHBondContact O-N 3.18Å; W1408-W1413 HydrophobicContact CD2-CB 4.32Å; W1408-W1413 HydrophobicContact CE3-CB 3.73Å; W1408-W1413 HydrophobicContact CE3-CG 4.4Å; W1408-W1413 HydrophobicContact CH2-CB 3.8Å; W1408-W1413 AromaticContact CH2-CD1 3.68Å; W1408-W1413 AromaticContact CH2-CG 3.95Å; W1408-W1413 HydrophobicContact CH2-CG 3.95Å; W1408-W1413 HydrophobicContact CZ2-CB 4.36Å; W1408-W1413 HydrophobicContact CZ3-CB 3.43Å; W1408-W1413 VanDerWaalsContact CZ3-CB 3.43Å; W1408-W1413 AromaticContact CZ3-CD1 3.8Å; W1408-W1413 AromaticContact CZ3-CG 3.66Å; W1408-W1413 HydrophobicContact CZ3-CG 3.66Å; W1408-W1413 PolarHBondContact O-N 3.44Å; W1408-L1466 HydrophobicContact CH2-CD2 4.13Å; W1408-L1466 HydrophobicContact CZ3-CD2 4.4Å; W1408-R1473 HydrophobicContact CZ2-CG 4.05Å; W1408-R1473 VanDerWaalsContact NE1-NE 3.18Å; W1408-I1476 HydrophobicContact CH2-CD1 4.32Å; W1408-E1477 PolarHBondContact NE1-OE1 2.75Å
1409I93.7Very high86Confident0 Ų023.8 Ų23.80%013%0.125CC..Iπ-helixtrans-57.9-51.7175.6-70.9-64.3000111.2N1405 W1413 L1414 F1426 V1431 A1433 L1436N1405-I1409 PolarHBondContact O-N 2.92Å; I1409-W1413 HydrophobicContact CD1-CB 4.36Å; I1409-W1413 HydrophobicContact CD1-CD2 3.98Å; I1409-W1413 HydrophobicContact CD1-CE3 3.69Å; I1409-W1413 HydrophobicContact CD1-CG 4.31Å; I1409-W1413 HydrophobicContact CD1-CZ3 4.23Å; I1409-W1413 HydrophobicContact CG2-CE3 4.1Å; I1409-W1413 HydrophobicContact CG2-CZ3 4.4Å; I1409-L1414 WeakPolarHBondContact O-CB 3.32Å; I1409-L1414 PolarHBondContact O-N 2.82Å; I1409-F1426 HydrophobicContact CG2-CD1 4.05Å; I1409-V1431 WeakPolarHBondContact CG2-O 3.48Å; I1409-A1433 HydrophobicContact CD1-CB 4.18Å; I1409-L1436 HydrophobicContact CD1-CD1 3.98Å
1410G93.4Very high87.5Confident0 Ų024.3 Ų24.30%013%0.133CC..Iπ-helixtrans-75.9-38.7-177.900000114.9H1406 P1415 R1423H1406-G1410 PolarHBondContact O-N 2.61Å; G1410-P1415 WeakPolarHBondContact O-CD 3.32Å; G1410-R1423 WeakPolarHBondContact O-CD 3.48Å; G1410-R1423 WeakPolarHBondContact O-CG 3.48Å
1411N92.7Very high89.2Confident70 Ų7030.6 Ų30.637%0.37416%0.156SC..Iπ-helixtrans-92.6-24.1-172.5-57.2-39.7000114.4E1407 R1423E1407-N1411 WeakPolarHBondContact O-CA 3.44Å; E1407-N1411 WeakPolarHBondContact O-CB 3.48Å; E1407-N1411 PolarHBondContact O-N 3.19Å; E1407-N1411 PolarHBondContact O-ND2 3.44Å; N1411-R1423 PolarHBondContact OD1-NE 3.11Å; N1411-R1423 PolarHBondContact OD1-NH2 2.88Å
1412V92.6Very high90.9Very high67 Ų6729.8 Ų29.841%0.40615%0.153SC..Iπ-helixtrans-122.8-56.2-171.5-175.10000111.2W1408 S1416W1408-V1412 HydrophobicContact CG-CB 4.32Å; W1408-V1412 WeakPolarHBondContact O-CA 3.34Å; W1408-V1412 WeakPolarHBondContact O-CB 3.12Å; W1408-V1412 PolarHBondContact O-N 3.18Å; V1412-S1416 VanDerWaalsContact O-CB 3.29Å; V1412-S1416 WeakPolarHBondContact O-CB 3.41Å; V1412-S1416 PolarHBondContact O-N 3.12Å; V1412-S1416 VanDerWaalsContact O-N 3.11Å; V1412-S1416 PolarHBondContact O-OG 3.37Å
1413W95.2Very high92.3Very high4 Ų434.5 Ų34.52%0.01517%0.168CC..Iπ-helixtrans-72.7-52-172.2178.577.9000113W1408 I1409 S1416 L1417 L1436 L1459 I1463 L1466W1408-W1413 HydrophobicContact CD2-CB 4.32Å; W1408-W1413 HydrophobicContact CE3-CB 3.73Å; W1408-W1413 HydrophobicContact CE3-CG 4.4Å; W1408-W1413 HydrophobicContact CH2-CB 3.8Å; W1408-W1413 AromaticContact CH2-CD1 3.68Å; W1408-W1413 AromaticContact CH2-CG 3.95Å; W1408-W1413 HydrophobicContact CH2-CG 3.95Å; W1408-W1413 HydrophobicContact CZ2-CB 4.36Å; W1408-W1413 HydrophobicContact CZ3-CB 3.43Å; W1408-W1413 VanDerWaalsContact CZ3-CB 3.43Å; W1408-W1413 AromaticContact CZ3-CD1 3.8Å; W1408-W1413 AromaticContact CZ3-CG 3.66Å; W1408-W1413 HydrophobicContact CZ3-CG 3.66Å; W1408-W1413 PolarHBondContact O-N 3.44Å; I1409-W1413 HydrophobicContact CD1-CB 4.36Å; I1409-W1413 HydrophobicContact CD1-CD2 3.98Å; I1409-W1413 HydrophobicContact CD1-CE3 3.69Å; I1409-W1413 HydrophobicContact CD1-CG 4.31Å; I1409-W1413 HydrophobicContact CD1-CZ3 4.23Å; I1409-W1413 HydrophobicContact CG2-CE3 4.1Å; I1409-W1413 HydrophobicContact CG2-CZ3 4.4Å; W1413-S1416 WeakPolarHBondContact CA-OG 3.49Å; W1413-S1416 CarbonylContact O-C 3.59Å; W1413-S1416 WeakPolarHBondContact O-CA 3.48Å; W1413-S1416 WeakPolarHBondContact O-CB 3.39Å; W1413-S1416 PolarHBondContact O-N 3.22Å; W1413-S1416 PolarHBondContact O-OG 3.48Å; W1413-L1417 HydrophobicContact CD2-CD1 4.27Å; W1413-L1417 HydrophobicContact CE3-CD1 4.32Å; W1413-L1417 HydrophobicContact CH2-CD1 3.83Å; W1413-L1417 HydrophobicContact CZ2-CD1 3.74Å; W1413-L1417 HydrophobicContact CZ3-CD1 4.11Å; W1413-L1417 PolarHBondContact O-N 3.28Å; W1413-L1417 VanDerWaalsContact O-N 3.08Å; W1413-L1436 HydrophobicContact CH2-CD1 3.68Å; W1413-L1436 HydrophobicContact CH2-CD2 4.02Å; W1413-L1436 HydrophobicContact CZ2-CD1 4.17Å; W1413-L1436 HydrophobicContact CZ3-CD1 4Å; W1413-L1436 HydrophobicContact CZ3-CD2 3.95Å; W1413-L1459 HydrophobicContact CH2-CD1 3.74Å; W1413-L1459 HydrophobicContact CZ3-CD1 3.85Å; W1413-I1463 HydrophobicContact CH2-CG1 3.94Å; W1413-I1463 HydrophobicContact CZ2-CG1 4.3Å; W1413-L1466 HydrophobicContact CD2-CD1 4.35Å; W1413-L1466 HydrophobicContact CH2-CD1 4.32Å; W1413-L1466 HydrophobicContact CZ2-CD1 3.53Å; W1413-L1466 HydrophobicContact CZ2-CG 3.96Å
1414L96.3Very high93.4Very high0 Ų034.6 Ų34.60%018%0.176CC..Hα-helixtrans-62.9-40.7-178.2-171.474.7000112.7I1409 S1416 L1417 L1419 R1423 F1426 L1459I1409-L1414 WeakPolarHBondContact O-CB 3.32Å; I1409-L1414 PolarHBondContact O-N 2.82Å; L1414-S1416 VanDerWaalsContact C-N 3.33Å; L1414-S1416 PolarHBondContact O-N 3.14Å; L1414-L1417 PolarHBondContact O-N 3.37Å; L1414-L1419 HydrophobicContact CD1-CB 3.63Å; L1414-L1419 HydrophobicContact CD1-CD1 4.02Å; L1414-L1419 HydrophobicContact CD1-CG 4.48Å; L1414-L1419 HydrophobicContact CG-CB 3.88Å; L1414-L1419 PolarHBondContact O-N 3.44Å; L1414-R1423 HydrophobicContact CD2-CB 4.46Å; L1414-F1426 HydrophobicContact CD1-CE1 4.35Å; L1414-F1426 HydrophobicContact CD1-CE2 4.45Å; L1414-F1426 HydrophobicContact CD1-CZ 4.23Å; L1414-F1426 HydrophobicContact CD2-CB 4.15Å; L1414-F1426 HydrophobicContact CD2-CD1 4.23Å; L1414-F1426 HydrophobicContact CD2-CD2 3.83Å; L1414-F1426 HydrophobicContact CD2-CE2 4.26Å; L1414-F1426 HydrophobicContact CD2-CG 3.81Å; L1414-L1459 HydrophobicContact CD1-CD1 4.1Å
1415P95.4Very high94Very high35 Ų3534.5 Ų34.523%0.22718%0.177CC..Hα-helixtrans-60.4-39166.8-26.437.3000113.1G1410 L1417 G1418 A1420G1410-P1415 WeakPolarHBondContact O-CD 3.32Å; P1415-L1417 PolarHBondContact O-N 3.41Å; P1415-G1418 WeakPolarHBondContact O-CA 3.08Å; P1415-G1418 PolarHBondContact O-N 2.84Å; P1415-A1420 HydrophobicContact CB-CB 4.08Å; P1415-A1420 HydrophobicContact CG-CB 4.17Å
1416S95.4Very high94.4Very high6 Ų633.1 Ų33.14%0.04217%0.169CC..Hα-helixtrans-66.8-16176.981.80000114.5V1412 W1413 L1414 G1418 R1480 S1494 N1495V1412-S1416 VanDerWaalsContact O-CB 3.29Å; V1412-S1416 WeakPolarHBondContact O-CB 3.41Å; V1412-S1416 PolarHBondContact O-N 3.12Å; V1412-S1416 VanDerWaalsContact O-N 3.11Å; V1412-S1416 PolarHBondContact O-OG 3.37Å; W1413-S1416 WeakPolarHBondContact CA-OG 3.49Å; W1413-S1416 CarbonylContact O-C 3.59Å; W1413-S1416 WeakPolarHBondContact O-CA 3.48Å; W1413-S1416 WeakPolarHBondContact O-CB 3.39Å; W1413-S1416 PolarHBondContact O-N 3.22Å; W1413-S1416 PolarHBondContact O-OG 3.48Å; L1414-S1416 VanDerWaalsContact C-N 3.33Å; L1414-S1416 PolarHBondContact O-N 3.14Å; S1416-G1418 VanDerWaalsContact C-N 3.34Å; S1416-R1480 VanDerWaalsContact CB-NH1 3.31Å; S1416-R1480 PolarHBondContact OG-NH1 2.87Å; S1416-R1480 PolarHBondContact OG-NH2 2.91Å; S1416-S1494 CarbonylContact O-C 3.6Å; S1416-S1494 VanDerWaalsContact O-CA 3.23Å; S1416-S1494 WeakPolarHBondContact O-CA 3.39Å; S1416-N1495 PolarHBondContact O-N 2.81Å
1417L96.9Very high94.5Very high3 Ų334.4 Ų34.42%0.01618%0.175CC..THydrogen-bonded Turntrans-85-6.3168.5-56.7-173.7000112.9W1413 L1414 P1415 L1419 L1459 G1518 H1520W1413-L1417 HydrophobicContact CD2-CD1 4.27Å; W1413-L1417 HydrophobicContact CE3-CD1 4.32Å; W1413-L1417 HydrophobicContact CH2-CD1 3.83Å; W1413-L1417 HydrophobicContact CZ2-CD1 3.74Å; W1413-L1417 HydrophobicContact CZ3-CD1 4.11Å; W1413-L1417 PolarHBondContact O-N 3.28Å; W1413-L1417 VanDerWaalsContact O-N 3.08Å; L1414-L1417 PolarHBondContact O-N 3.37Å; P1415-L1417 PolarHBondContact O-N 3.41Å; L1417-L1419 HydrophobicContact CB-CB 4.49Å; L1417-L1419 HydrophobicContact CB-CD1 4.15Å; L1417-L1419 HydrophobicContact CB-CG 4.14Å; L1417-L1419 HydrophobicContact CD1-CD1 4.23Å; L1417-L1459 HydrophobicContact CD1-CD1 4.31Å; L1417-G1518 CarbonylContact O-C 3.53Å; L1417-G1518 VanDerWaalsContact O-CA 3.27Å; L1417-G1518 WeakPolarHBondContact O-CA 3.39Å; L1417-H1520 PolarHBondContact O-ND1 2.67Å
1418G95.3Very high94.6Very high2 Ų235.3 Ų35.32%0.02118%0.18CC..THydrogen-bonded Turntrans77.426.2-17000000113.2P1415 S1416 D1516 S1517 G1518P1415-G1418 WeakPolarHBondContact O-CA 3.08Å; P1415-G1418 PolarHBondContact O-N 2.84Å; S1416-G1418 VanDerWaalsContact C-N 3.34Å; G1418-D1516 CarbonylContact O-C 3.54Å; G1418-D1516 WeakPolarHBondContact O-CA 3.45Å; G1418-S1517 PolarHBondContact O-N 3.22Å; G1418-G1518 WeakPolarHBondContact O-CA 3.42Å; G1418-G1518 PolarHBondContact O-N 3.41Å
1419L96.7Very high94.8Very high0 Ų035.2 Ų35.20%018%0.18CC..  trans-116.626.7-175.6-65.8179.1000112.9L1414 L1417 R1421 Y1422 M1450 H1455 L1459L1414-L1419 HydrophobicContact CD1-CB 3.63Å; L1414-L1419 HydrophobicContact CD1-CD1 4.02Å; L1414-L1419 HydrophobicContact CD1-CG 4.48Å; L1414-L1419 HydrophobicContact CG-CB 3.88Å; L1414-L1419 PolarHBondContact O-N 3.44Å; L1417-L1419 HydrophobicContact CB-CB 4.49Å; L1417-L1419 HydrophobicContact CB-CD1 4.15Å; L1417-L1419 HydrophobicContact CB-CG 4.14Å; L1417-L1419 HydrophobicContact CD1-CD1 4.23Å; L1419-R1421 PolarHBondContact O-N 2.83Å; L1419-R1421 VanDerWaalsContact O-N 3.14Å; L1419-Y1422 HydrophobicContact CB-CD2 4.27Å; L1419-Y1422 HydrophobicContact CD2-CD2 4.27Å; L1419-Y1422 HydrophobicContact CD2-CE2 4.26Å; L1419-Y1422 PolarHBondContact O-N 2.93Å; L1419-M1450 HydrophobicContact CD1-CE 4.27Å; L1419-H1455 HydrophobicContact CD2-CB 3.76Å; L1419-H1455 VanDerWaalsContact CD2-CD2 3.45Å; L1419-H1455 WeakPolarHBondContact CD2-CD2 3.25Å; L1419-L1459 HydrophobicContact CD1-CB 4.13Å; L1419-L1459 HydrophobicContact CD1-CD1 4.41Å
1420A94.2Very high94.8Very high39 Ų3935.7 Ų35.732%0.32218%0.183SC..G310 helixtrans-57.2-31.7-171.800000113.7P1415 Y1422 R1423 D1516P1415-A1420 HydrophobicContact CB-CB 4.08Å; P1415-A1420 HydrophobicContact CG-CB 4.17Å; A1420-Y1422 PolarHBondContact O-N 3.17Å; A1420-Y1422 VanDerWaalsContact O-N 3.11Å; A1420-R1423 WeakPolarHBondContact O-CB 3.26Å; A1420-R1423 PolarHBondContact O-N 2.88Å; A1420-D1516 WeakPolarHBondContact CA-OD1 3.36Å; A1420-D1516 WeakPolarHBondContact CB-OD1 3.34Å; A1420-D1516 PolarHBondContact N-OD1 2.77Å
1421R93.4Very high94.9Very high138 Ų13835.7 Ų35.752%0.52118%0.183SC..G310 helixtrans-53-29.9174.371.5-163.3-44.3-165.51.5114.3L1419 D1516L1419-R1421 PolarHBondContact O-N 2.83Å; L1419-R1421 VanDerWaalsContact O-N 3.14Å; R1421-D1516 HydrophobicContact CB-CB 4.38Å; R1421-D1516 PolarHBondContact N-OD1 3.18Å
1422Y96.4Very high94.9Very high23 Ų2332.4 Ų32.49%0.0917%0.165CC..G310 helixtrans-87.3-8.8179.7-61.5-69.4000113.3L1419 A1420 S1424 S1425 F1426 M1450 H1455L1419-Y1422 HydrophobicContact CB-CD2 4.27Å; L1419-Y1422 HydrophobicContact CD2-CD2 4.27Å; L1419-Y1422 HydrophobicContact CD2-CE2 4.26Å; L1419-Y1422 PolarHBondContact O-N 2.93Å; A1420-Y1422 PolarHBondContact O-N 3.17Å; A1420-Y1422 VanDerWaalsContact O-N 3.11Å; Y1422-S1424 PolarHBondContact O-N 3.25Å; Y1422-S1424 VanDerWaalsContact O-N 3.15Å; Y1422-S1425 PolarHBondContact O-N 2.84Å; Y1422-F1426 WeakPolarHBondContact O-CD2 3.37Å; Y1422-F1426 PolarHBondContact O-N 2.95Å; Y1422-M1450 HydrophobicContact CD1-CB 4.14Å; Y1422-M1450 HydrophobicContact CD1-CE 4.36Å; Y1422-M1450 HydrophobicContact CD1-CG 4.42Å; Y1422-M1450 HydrophobicContact CD2-CE 3.58Å; Y1422-M1450 HydrophobicContact CD2-CG 4.5Å; Y1422-M1450 HydrophobicContact CE1-CB 3.93Å; Y1422-M1450 HydrophobicContact CE1-CG 4.06Å; Y1422-M1450 HydrophobicContact CE2-CE 4.01Å; Y1422-M1450 HydrophobicContact CE2-CG 4.1Å; Y1422-M1450 HydrophobicContact CG-CE 3.77Å; Y1422-H1455 HydrophobicContact CE2-CB 3.88Å; Y1422-H1455 AromaticContact CE2-CG 3.82Å; Y1422-H1455 AromaticContact CE2-ND1 3.79Å; Y1422-H1455 AromaticContact CZ-ND1 3.93Å; Y1422-H1455 PolarHBondContact OH-ND1 3.19Å; Y1422-H1455 VanDerWaalsContact OH-ND1 3.15Å
1423R96.3Very high94.8Very high106 Ų10629.2 Ų29.240%0.415%0.146SC..Hα-helixtrans-48.9-43.9179.8171.1178.5174-80.4-7.3112.8G1410 N1411 L1414 A1420 S1425 F1426 M1427G1410-R1423 WeakPolarHBondContact O-CD 3.48Å; G1410-R1423 WeakPolarHBondContact O-CG 3.48Å; N1411-R1423 PolarHBondContact OD1-NE 3.11Å; N1411-R1423 PolarHBondContact OD1-NH2 2.88Å; L1414-R1423 HydrophobicContact CD2-CB 4.46Å; A1420-R1423 WeakPolarHBondContact O-CB 3.26Å; A1420-R1423 PolarHBondContact O-N 2.88Å; R1423-S1425 VanDerWaalsContact C-N 3.3Å; R1423-S1425 PolarHBondContact O-N 3.23Å; R1423-F1426 PolarHBondContact O-N 3.39Å; R1423-M1427 HydrophobicContact CG-CG 4.01Å; R1423-M1427 WeakPolarHBondContact O-CB 3.49Å; R1423-M1427 WeakPolarHBondContact O-CG 3.32Å; R1423-M1427 PolarHBondContact O-N 2.97Å
1424S94.3Very high94.4Very high72 Ų7229.9 Ų29.950%0.50315%0.148SC..Hα-helixtrans-55.6-46.3-179.653.40000111.7Y1422 E1428Y1422-S1424 PolarHBondContact O-N 3.25Å; Y1422-S1424 VanDerWaalsContact O-N 3.15Å; S1424-E1428 WeakPolarHBondContact O-CB 3.44Å; S1424-E1428 PolarHBondContact O-N 3.03Å
1425S94.9Very high94.3Very high4 Ų429.9 Ų29.93%0.02815%0.148CC..Hα-helixtrans-79.1-32.5-176.5-54.20000112.4Y1422 R1423 C1429 L1448 K1449Y1422-S1425 PolarHBondContact O-N 2.84Å; R1423-S1425 VanDerWaalsContact C-N 3.3Å; R1423-S1425 PolarHBondContact O-N 3.23Å; S1425-C1429 VanDerWaalsContact O-CB 3.27Å; S1425-C1429 WeakPolarHBondContact O-CB 3.4Å; S1425-C1429 PolarHBondContact O-N 3.1Å; S1425-C1429 PolarHBondContact O-SG 2.86Å; S1425-L1448 WeakPolarHBondContact O-CD2 3.35Å; S1425-K1449 WeakPolarHBondContact OG-CD 3.49Å; S1425-K1449 PolarHBondContact OG-NZ 3.4Å
1426F96.1Very high94.2Very high1 Ų128.2 Ų28.20%0.00414%0.138CC..Hα-helixtrans-65.9-41.6171.2-85.7-114.1000112.1I1409 L1414 Y1422 R1423 C1429 L1430 V1431 L1436 L1448 M1450 L1459I1409-F1426 HydrophobicContact CG2-CD1 4.05Å; L1414-F1426 HydrophobicContact CD1-CE1 4.35Å; L1414-F1426 HydrophobicContact CD1-CE2 4.45Å; L1414-F1426 HydrophobicContact CD1-CZ 4.23Å; L1414-F1426 HydrophobicContact CD2-CB 4.15Å; L1414-F1426 HydrophobicContact CD2-CD1 4.23Å; L1414-F1426 HydrophobicContact CD2-CD2 3.83Å; L1414-F1426 HydrophobicContact CD2-CE2 4.26Å; L1414-F1426 HydrophobicContact CD2-CG 3.81Å; Y1422-F1426 WeakPolarHBondContact O-CD2 3.37Å; Y1422-F1426 PolarHBondContact O-N 2.95Å; R1423-F1426 PolarHBondContact O-N 3.39Å; F1426-C1429 CarbonylContact O-C 3.6Å; F1426-L1430 PolarHBondContact O-N 2.92Å; F1426-L1430 VanDerWaalsContact O-N 3.07Å; F1426-V1431 HydrophobicContact CB-CB 4.45Å; F1426-V1431 HydrophobicContact CD1-CB 3.81Å; F1426-V1431 HydrophobicContact CD1-CG1 3.82Å; F1426-V1431 HydrophobicContact CD1-CG2 4.18Å; F1426-V1431 HydrophobicContact CE1-CG1 4.06Å; F1426-V1431 HydrophobicContact CG-CB 4.4Å; F1426-V1431 HydrophobicContact CG-CG2 4.45Å; F1426-V1431 PolarHBondContact O-N 3.41Å; F1426-L1436 HydrophobicContact CE1-CD2 4.45Å; F1426-L1448 HydrophobicContact CD1-CD1 4.49Å; F1426-L1448 HydrophobicContact CD2-CB 4.27Å; F1426-L1448 HydrophobicContact CD2-CD1 4.14Å; F1426-L1448 HydrophobicContact CD2-CD2 4.28Å; F1426-L1448 HydrophobicContact CD2-CG 4.47Å; F1426-L1448 HydrophobicContact CE1-CD1 4.12Å; F1426-L1448 HydrophobicContact CE2-CB 3.96Å; F1426-L1448 HydrophobicContact CE2-CD1 3.73Å; F1426-L1448 HydrophobicContact CE2-CG 4.31Å; F1426-L1448 HydrophobicContact CZ-CD1 3.72Å; F1426-M1450 HydrophobicContact CE2-CE 4.02Å; F1426-M1450 HydrophobicContact CZ-CE 4.26Å; F1426-L1459 HydrophobicContact CE1-CD1 4.37Å; F1426-L1459 HydrophobicContact CZ-CD1 4.12Å; F1426-L1459 HydrophobicContact CZ-CD2 3.95Å
1427M93.8Very high93.6Very high44 Ų4429.8 Ų29.822%0.21715%0.149CC..Hα-helixtrans-69.2-43.3174.7-68.1-68.1-63.900111.6E1407 R1423 C1429 L1430E1407-M1427 HydrophobicContact CG-CE 4.36Å; R1423-M1427 HydrophobicContact CG-CG 4.01Å; R1423-M1427 WeakPolarHBondContact O-CB 3.49Å; R1423-M1427 WeakPolarHBondContact O-CG 3.32Å; R1423-M1427 PolarHBondContact O-N 2.97Å; M1427-C1429 VanDerWaalsContact C-N 3.27Å; M1427-C1429 PolarHBondContact O-N 2.83Å; M1427-L1430 PolarHBondContact O-N 2.92Å; M1427-L1430 VanDerWaalsContact O-N 3.08Å
1428E93.2Very high93.2Very high120 Ų12034.2 Ų34.256%0.56117%0.169SC*.Hα-helixtrans-58.9-37.5175.3178.7178.3-152.100112.1H1355 S1424 K1449H1355-E1428 PolarHBondContact CE1-O 3.49Å; H1355-E1428 PolarHBondContact NE2-O 2.81Å; S1424-E1428 WeakPolarHBondContact O-CB 3.44Å; S1424-E1428 PolarHBondContact O-N 3.03Å; E1428-K1449 IonicContact OE2-NZ 3.4Å; E1428-K1449 PolarHBondContact OE2-NZ 3.44Å
1429C94.7Very high93Very high5 Ų534.2 Ų34.23%0.03417%0.169CC..THydrogen-bonded Turntrans-92.911176-65.60000114.4L1354 H1355 S1425 F1426 M1427 V1431 L1448L1354-C1429 HydrophobicContact CB-CB 4.22Å; L1354-C1429 HydrophobicContact CD1-CB 3.73Å; H1355-C1429 VanDerWaalsContact CD2-C 3.48Å; H1355-C1429 PolarHBondContact CD2-O 3.32Å; H1355-C1429 VanDerWaalsContact CD2-O 3.28Å; H1355-C1429 VanDerWaalsContact NE2-C 3.27Å; H1355-C1429 VanDerWaalsContact NE2-CA 3.29Å; H1355-C1429 WeakPolarHBondContact NE2-CA 3.35Å; S1425-C1429 VanDerWaalsContact O-CB 3.27Å; S1425-C1429 WeakPolarHBondContact O-CB 3.4Å; S1425-C1429 PolarHBondContact O-N 3.1Å; S1425-C1429 PolarHBondContact O-SG 2.86Å; F1426-C1429 CarbonylContact O-C 3.6Å; M1427-C1429 VanDerWaalsContact C-N 3.27Å; M1427-C1429 PolarHBondContact O-N 2.83Å; C1429-V1431 HydrophobicContact CB-CG2 3.95Å; C1429-V1431 PolarHBondContact O-N 2.8Å; C1429-L1448 HydrophobicContact CB-CD2 3.6Å
1430L94.6Very high92.5Very high10 Ų1036.4 Ų36.45%0.05218%0.182CC..THydrogen-bonded Turntrans52.725.5177-57.5175.8000115.9M1318 P1319 Y1322 K1358 H1406 F1426 M1427 D1432M1318-L1430 HydrophobicContact SD-CD1 4.27Å; P1319-L1430 HydrophobicContact CG-CD1 3.83Å; P1319-L1430 HydrophobicContact CG-CD2 3.67Å; P1319-L1430 HydrophobicContact CG-CG 4.41Å; Y1322-L1430 HydrophobicContact CD2-CD1 4.22Å; Y1322-L1430 HydrophobicContact CE2-CD1 3.95Å; K1358-L1430 HydrophobicContact CD-CB 4.03Å; K1358-L1430 VanDerWaalsContact CD-O 3.28Å; K1358-L1430 WeakPolarHBondContact CD-O 3.41Å; K1358-L1430 VanDerWaalsContact CE-O 3.3Å; K1358-L1430 WeakPolarHBondContact CE-O 3.41Å; K1358-L1430 PolarHBondContact NZ-O 2.6Å; H1406-L1430 VanDerWaalsContact CB-C 3.47Å; H1406-L1430 WeakPolarHBondContact CB-O 3.47Å; F1426-L1430 PolarHBondContact O-N 2.92Å; F1426-L1430 VanDerWaalsContact O-N 3.07Å; M1427-L1430 PolarHBondContact O-N 2.92Å; M1427-L1430 VanDerWaalsContact O-N 3.08Å; L1430-D1432 PolarHBondContact O-N 2.93Å
1431V94.3Very high92.1Very high0 Ų036.2 Ų36.20%017%0.174CC..  trans-62.5118-169.2-177.20000112H1406 I1409 F1426 C1429 M1435 L1436 L1439 L1448H1406-V1431 VanDerWaalsContact CA-O 3.23Å; H1406-V1431 WeakPolarHBondContact CA-O 3.39Å; H1406-V1431 VanDerWaalsContact CB-O 3.29Å; H1406-V1431 WeakPolarHBondContact CB-O 3.5Å; I1409-V1431 WeakPolarHBondContact CG2-O 3.48Å; F1426-V1431 HydrophobicContact CB-CB 4.45Å; F1426-V1431 HydrophobicContact CD1-CB 3.81Å; F1426-V1431 HydrophobicContact CD1-CG1 3.82Å; F1426-V1431 HydrophobicContact CD1-CG2 4.18Å; F1426-V1431 HydrophobicContact CE1-CG1 4.06Å; F1426-V1431 HydrophobicContact CG-CB 4.4Å; F1426-V1431 HydrophobicContact CG-CG2 4.45Å; F1426-V1431 PolarHBondContact O-N 3.41Å; C1429-V1431 HydrophobicContact CB-CG2 3.95Å; C1429-V1431 PolarHBondContact O-N 2.8Å; V1431-M1435 HydrophobicContact CB-CE 4.4Å; V1431-M1435 HydrophobicContact CG1-CB 4.29Å; V1431-M1435 HydrophobicContact CG1-CE 4.48Å; V1431-M1435 HydrophobicContact CG2-CE 4.12Å; V1431-L1436 HydrophobicContact CG1-CD2 4.2Å; V1431-L1439 HydrophobicContact CG1-CD1 4.22Å; V1431-L1448 HydrophobicContact CG2-CD1 4.05Å; V1431-L1448 HydrophobicContact CG2-CD2 3.8Å
1432D92.1Very high91.6Very high1 Ų137.6 Ų37.61%0.00518%0.179CC..  trans-108.6176.4173.777.526.8000112.9K1358 H1406 L1430 R1434 M1435K1358-D1432 WeakPolarHBondContact CE-OD2 3.46Å; H1406-D1432 HydrophobicContact CB-CB 4.46Å; L1430-D1432 PolarHBondContact O-N 2.93Å; D1432-R1434 VanDerWaalsContact C-N 3.26Å; D1432-R1434 PolarHBondContact O-N 3.21Å; D1432-R1434 VanDerWaalsContact OD1-CB 3.3Å; D1432-R1434 WeakPolarHBondContact OD1-CB 3.48Å; D1432-R1434 PolarHBondContact OD1-N 3.2Å; D1432-R1434 IonicContact OD1-NE 3.87Å; D1432-R1434 IonicContact OD2-CZ 3.69Å; D1432-R1434 IonicContact OD2-NE 2.73Å; D1432-R1434 PolarHBondContact OD2-NE 2.82Å; D1432-R1434 IonicContact OD2-NH2 2.72Å; D1432-R1434 PolarHBondContact OD2-NH2 3.12Å; D1432-M1435 PolarHBondContact O-N 2.7Å; D1432-M1435 PolarHBondContact OD1-N 3.03Å
1433A90.3Very high91.5Very high1 Ų137.5 Ų37.51%0.00818%0.18CC..THydrogen-bonded Turntrans-63-26.1-175.300000115L1404 I1409 L1436 Y1471L1404-A1433 HydrophobicContact CB-CB 3.64Å; L1404-A1433 HydrophobicContact CD1-CB 3.85Å; L1404-A1433 HydrophobicContact CG-CB 4.35Å; L1404-A1433 PolarHBondContact O-N 3.29Å; I1409-A1433 HydrophobicContact CD1-CB 4.18Å; A1433-L1436 HydrophobicContact CB-CD1 4.4Å; A1433-Y1471 HydrophobicContact CB-CD1 4.08Å; A1433-Y1471 HydrophobicContact CB-CE1 4.28Å
1434R87.9Confident91.3Very high17 Ų1732.8 Ų32.86%0.06416%0.163CC..THydrogen-bonded Turntrans-69.6-38.6177.4-63.3170.5-76-131.9-10.5110.5L1361 E1365 L1399 D1432 L1436 S1437 H1438L1361-R1434 HydrophobicContact CB-CB 4.43Å; E1365-R1434 VanDerWaalsContact OE2-CD 3.23Å; E1365-R1434 WeakPolarHBondContact OE2-CD 3.21Å; E1365-R1434 IonicContact OE2-CZ 3.65Å; E1365-R1434 IonicContact OE2-NE 3.01Å; E1365-R1434 IonicContact OE2-NH1 2.74Å; E1365-R1434 PolarHBondContact OE2-NH1 3.36Å; L1399-R1434 HydrophobicContact CB-CG 4.01Å; L1399-R1434 HydrophobicContact CD2-CG 3.68Å; L1399-R1434 HydrophobicContact CG-CG 4.44Å; L1399-R1434 PolarHBondContact O-NH1 2.88Å; D1432-R1434 VanDerWaalsContact C-N 3.26Å; D1432-R1434 PolarHBondContact O-N 3.21Å; D1432-R1434 VanDerWaalsContact OD1-CB 3.3Å; D1432-R1434 WeakPolarHBondContact OD1-CB 3.48Å; D1432-R1434 PolarHBondContact OD1-N 3.2Å; D1432-R1434 IonicContact OD1-NE 3.87Å; D1432-R1434 IonicContact OD2-CZ 3.69Å; D1432-R1434 IonicContact OD2-NE 2.73Å; D1432-R1434 PolarHBondContact OD2-NE 2.82Å; D1432-R1434 IonicContact OD2-NH2 2.72Å; D1432-R1434 PolarHBondContact OD2-NH2 3.12Å; R1434-L1436 VanDerWaalsContact C-N 3.28Å; R1434-L1436 PolarHBondContact O-N 3.07Å; R1434-S1437 PolarHBondContact O-OG 3Å; R1434-H1438 PolarHBondContact O-CD2 2.75Å; R1434-H1438 VanDerWaalsContact O-CD2 3.32Å
1435M94Very high91.2Very high0 Ų034.3 Ų34.30%016%0.158CC..G310 helixtrans-67.6-27.3-179-63.1168.163.600113.1L1354 K1358 L1361 V1431 D1432 S1437 H1438 L1439L1354-M1435 HydrophobicContact CB-CE 3.85Å; L1354-M1435 HydrophobicContact CD2-CE 4.24Å; L1354-M1435 WeakPolarHBondContact O-CE 3.43Å; K1358-M1435 HydrophobicContact CB-CE 4.35Å; K1358-M1435 HydrophobicContact CB-CG 4.29Å; K1358-M1435 HydrophobicContact CB-SD 3.48Å; K1358-M1435 WeakPolarHBondContact CB-SD 3.3Å; K1358-M1435 HydrophobicContact CD-SD 4.11Å; K1358-M1435 HydrophobicContact CG-CG 4.48Å; K1358-M1435 HydrophobicContact CG-SD 3.67Å; L1361-M1435 HydrophobicContact CD1-CB 4.48Å; L1361-M1435 HydrophobicContact CD1-CG 4.09Å; V1431-M1435 HydrophobicContact CB-CE 4.4Å; V1431-M1435 HydrophobicContact CG1-CB 4.29Å; V1431-M1435 HydrophobicContact CG1-CE 4.48Å; V1431-M1435 HydrophobicContact CG2-CE 4.12Å; D1432-M1435 PolarHBondContact O-N 2.7Å; D1432-M1435 PolarHBondContact OD1-N 3.03Å; M1435-S1437 PolarHBondContact O-N 3.5Å; M1435-S1437 VanDerWaalsContact O-N 3.12Å; M1435-H1438 PolarHBondContact O-N 2.87Å; M1435-L1439 PolarHBondContact O-N 3.48Å
1436L92.4Very high90.8Very high0 Ų038.4 Ų38.40%018%0.178CC..G310 helixtrans-54.9-34.5-172.8-66.8176.1000114I1409 W1413 F1426 V1431 A1433 R1434 H1438 L1439 I1463 L1466 W1587I1409-L1436 HydrophobicContact CD1-CD1 3.98Å; W1413-L1436 HydrophobicContact CH2-CD1 3.68Å; W1413-L1436 HydrophobicContact CH2-CD2 4.02Å; W1413-L1436 HydrophobicContact CZ2-CD1 4.17Å; W1413-L1436 HydrophobicContact CZ3-CD1 4Å; W1413-L1436 HydrophobicContact CZ3-CD2 3.95Å; F1426-L1436 HydrophobicContact CE1-CD2 4.45Å; V1431-L1436 HydrophobicContact CG1-CD2 4.2Å; A1433-L1436 HydrophobicContact CB-CD1 4.4Å; R1434-L1436 VanDerWaalsContact C-N 3.28Å; R1434-L1436 PolarHBondContact O-N 3.07Å; L1436-H1438 VanDerWaalsContact C-N 3.27Å; L1436-H1438 PolarHBondContact O-N 3.23Å; L1436-L1439 HydrophobicContact CD2-CD1 4.32Å; L1436-I1463 HydrophobicContact CB-CD1 3.99Å; L1436-I1463 HydrophobicContact CB-CG1 4.01Å; L1436-I1463 HydrophobicContact CB-CG2 4.46Å; L1436-I1463 HydrophobicContact CD1-CG1 4.21Å; L1436-I1463 HydrophobicContact CD2-CD1 4.36Å; L1436-I1463 HydrophobicContact CD2-CG1 4.43Å; L1436-I1463 HydrophobicContact CG-CG1 4.45Å; L1436-L1466 HydrophobicContact CD1-CD1 3.59Å; L1436-W1587 WeakPolarHBondContact O-CH2 3.48Å
1437S84.5Confident90.5Very high40 Ų4041 Ų4128%0.2819%0.19SC..G310 helixtrans-76.6-6.8177.139.50000114.9R1434 M1435R1434-S1437 PolarHBondContact O-OG 3Å; M1435-S1437 PolarHBondContact O-N 3.5Å; M1435-S1437 VanDerWaalsContact O-N 3.12Å
1438H87.1Confident90.6Very high96 Ų9638.9 Ų38.944%0.44418%0.18SC..G310 helixtrans-120.71-172.6-57.4-89.9000113.8L1357 L1361 R1434 M1435 L1436 T1440L1357-H1438 HydrophobicContact CD1-CB 4.43Å; L1357-H1438 HydrophobicContact CD2-CB 4.2Å; L1361-H1438 HydrophobicContact CD1-CB 4.47Å; R1434-H1438 PolarHBondContact O-CD2 2.75Å; R1434-H1438 VanDerWaalsContact O-CD2 3.32Å; M1435-H1438 PolarHBondContact O-N 2.87Å; L1436-H1438 VanDerWaalsContact C-N 3.27Å; L1436-H1438 PolarHBondContact O-N 3.23Å; H1438-T1440 PolarHBondContact O-N 3.08Å
1439L92.3Very high90.6Very high2 Ų238.1 Ų38.11%0.0118%0.175CC..  trans-73.3122.8179.1-62.8175.9000111.3L1354 V1431 M1435 L1436 D1443 L1444 L1448L1354-L1439 HydrophobicContact CD2-CD2 3.76Å; V1431-L1439 HydrophobicContact CG1-CD1 4.22Å; M1435-L1439 PolarHBondContact O-N 3.48Å; L1436-L1439 HydrophobicContact CD2-CD1 4.32Å; L1439-D1443 HydrophobicContact CD2-CB 4.37Å; L1439-L1444 HydrophobicContact CB-CD2 4.12Å; L1439-L1444 HydrophobicContact CB-CG 4.42Å; L1439-L1444 HydrophobicContact CD1-CD2 4.05Å; L1439-L1448 HydrophobicContact CD1-CD1 3.87Å; L1439-L1448 HydrophobicContact CD2-CD1 4.3Å
1440T86.9Confident90.6Very high45 Ų4537.9 Ų37.928%0.27617%0.173SC..  trans-85.8170178.470.60000112.9H1438 R1442 D1443 L1444 V1591H1438-T1440 PolarHBondContact O-N 3.08Å; T1440-R1442 PolarHBondContact O-N 2.93Å; T1440-D1443 VanDerWaalsContact CB-OD2 3.3Å; T1440-D1443 WeakPolarHBondContact CB-OD2 3.49Å; T1440-D1443 WeakPolarHBondContact CG2-OD2 3.28Å; T1440-D1443 PolarHBondContact N-OD2 2.93Å; T1440-D1443 PolarHBondContact O-N 3.42Å; T1440-D1443 PolarHBondContact OG1-N 3.11Å; T1440-D1443 VanDerWaalsContact OG1-N 3.1Å; T1440-D1443 PolarHBondContact OG1-OD2 3.2Å; T1440-L1444 WeakPolarHBondContact O-CG 3.41Å; T1440-L1444 PolarHBondContact O-N 3.15Å; T1440-V1591 VanDerWaalsContact C-CG1 3.41Å; T1440-V1591 WeakPolarHBondContact CB-O 3.45Å
1441K84.5Confident90.2Very high35 Ų3542.1 Ų42.115%0.15220%0.199CC..Hα-helixtrans-61.2-34.8178.7-147.4176.5-169.2178.80109.4R1445 V1591 E1592K1441-R1445 VanDerWaalsContact O-CB 3.26Å; K1441-R1445 WeakPolarHBondContact O-CB 3.3Å; K1441-R1445 WeakPolarHBondContact O-CG 3.41Å; K1441-R1445 PolarHBondContact O-N 3.46Å; K1441-R1445 VanDerWaalsContact O-N 3.11Å; K1441-V1591 HydrophobicContact CB-CG1 3.81Å; K1441-V1591 VanDerWaalsContact CB-O 3.29Å; K1441-V1591 WeakPolarHBondContact CB-O 3.23Å; K1441-V1591 HydrophobicContact CG-CG1 4.43Å; K1441-V1591 PolarHBondContact N-O 3Å; K1441-E1592 HydrophobicContact CD-CB 4.14Å; K1441-E1592 HydrophobicContact CD-CG 4.06Å; K1441-E1592 WeakPolarHBondContact CD-OE1 3.48Å; K1441-E1592 WeakPolarHBondContact CE-OE1 3.33Å; K1441-E1592 IonicContact NZ-OE1 3.49Å; K1441-E1592 PolarHBondContact NZ-OE1 3.19Å; K1441-E1592 IonicContact NZ-OE2 2.74Å; K1441-E1592 PolarHBondContact NZ-OE2 3.17Å
1442R84.1Confident90.1Very high168 Ų16845.2 Ų45.263%0.63422%0.216SC*.Hα-helixtrans-67.3-46.1173.8-171.9-179.7176.381.30.9111.3T1440 R1445 I1446T1440-R1442 PolarHBondContact O-N 2.93Å; R1442-R1445 PolarHBondContact O-N 3.34Å; R1442-I1446 HydrophobicContact CG-CD1 3.66Å; R1442-I1446 HydrophobicContact CG-CG1 4.29Å; R1442-I1446 VanDerWaalsContact O-CB 3.27Å; R1442-I1446 WeakPolarHBondContact O-CB 3.35Å; R1442-I1446 WeakPolarHBondContact O-CG1 3.14Å; R1442-I1446 PolarHBondContact O-N 3.23Å
1443D92.8Very high90Very high20 Ų2051.1 Ų51.111%0.10724%0.243CC..Iπ-helixtrans-63.7-48.4177.4-60.2-52.3000112.1L1354 L1439 T1440 R1445 H1447 L1448L1354-D1443 HydrophobicContact CD2-CB 4.21Å; L1439-D1443 HydrophobicContact CD2-CB 4.37Å; T1440-D1443 VanDerWaalsContact CB-OD2 3.3Å; T1440-D1443 WeakPolarHBondContact CB-OD2 3.49Å; T1440-D1443 WeakPolarHBondContact CG2-OD2 3.28Å; T1440-D1443 PolarHBondContact N-OD2 2.93Å; T1440-D1443 PolarHBondContact O-N 3.42Å; T1440-D1443 PolarHBondContact OG1-N 3.11Å; T1440-D1443 VanDerWaalsContact OG1-N 3.1Å; T1440-D1443 PolarHBondContact OG1-OD2 3.2Å; D1443-R1445 VanDerWaalsContact C-N 3.33Å; D1443-R1445 PolarHBondContact O-N 3.24Å; D1443-H1447 WeakPolarHBondContact O-CB 3.35Å; D1443-H1447 PolarHBondContact O-N 3.04Å; D1443-H1447 IonicContact OD1-CD2 3.23Å; D1443-H1447 PolarHBondContact OD1-CD2 3.36Å; D1443-L1448 PolarHBondContact O-N 3.22Å
1444L93.4Very high90.1Very high8 Ų853.6 Ų53.64%0.04225%0.254CS..Iπ-helixtrans-57.8-45.7177.8-64.6177.9000111L1439 T1440 L1448 K1449 M1450 R1456 L1459L1439-L1444 HydrophobicContact CB-CD2 4.12Å; L1439-L1444 HydrophobicContact CB-CG 4.42Å; L1439-L1444 HydrophobicContact CD1-CD2 4.05Å; T1440-L1444 WeakPolarHBondContact O-CG 3.41Å; T1440-L1444 PolarHBondContact O-N 3.15Å; L1444-L1448 HydrophobicContact CD2-CD1 4.22Å; L1444-L1448 CarbonylContact O-C 3.56Å; L1444-K1449 PolarHBondContact O-N 3.25Å; L1444-K1449 VanDerWaalsContact O-N 3.15Å; L1444-M1450 WeakPolarHBondContact O-CA 3.49Å; L1444-M1450 WeakPolarHBondContact O-CB 3.19Å; L1444-M1450 PolarHBondContact O-N 3.18Å; L1444-R1456 HydrophobicContact CB-CG 4.34Å; L1444-R1456 HydrophobicContact CD1-CG 4.02Å; L1444-L1459 HydrophobicContact CD2-CD2 3.58Å
1445R91Very high90.5Very high104 Ų10453.2 Ų53.239%0.39225%0.253SS..Iπ-helixtrans-76.4-48.1-177.9-73.1176.6160.7179.8-6.9114.2K1441 R1442 D1443 K1449K1441-R1445 VanDerWaalsContact O-CB 3.26Å; K1441-R1445 WeakPolarHBondContact O-CB 3.3Å; K1441-R1445 WeakPolarHBondContact O-CG 3.41Å; K1441-R1445 PolarHBondContact O-N 3.46Å; K1441-R1445 VanDerWaalsContact O-N 3.11Å; R1442-R1445 PolarHBondContact O-N 3.34Å; D1443-R1445 VanDerWaalsContact C-N 3.33Å; D1443-R1445 PolarHBondContact O-N 3.24Å; R1445-K1449 WeakPolarHBondContact O-CA 3.44Å
1446I87.3Confident90.5Very high90 Ų9053.9 Ų53.946%0.46226%0.255SS..Iπ-helixtrans-88.2-50.9-170.7-57.6-175.1000111.4R1442R1442-I1446 HydrophobicContact CG-CD1 3.66Å; R1442-I1446 HydrophobicContact CG-CG1 4.29Å; R1442-I1446 VanDerWaalsContact O-CB 3.27Å; R1442-I1446 WeakPolarHBondContact O-CB 3.35Å; R1442-I1446 WeakPolarHBondContact O-CG1 3.14Å; R1442-I1446 PolarHBondContact O-N 3.23Å
1447H90Very high90.5Very high55 Ų5555.6 Ų55.626%0.25526%0.264SS..Iπ-helixtrans-85.7-42.5-173.8-65.6-55.3000112L1354 D1443L1354-H1447 HydrophobicContact CD1-CB 3.66Å; L1354-H1447 HydrophobicContact CG-CB 4.47Å; D1443-H1447 WeakPolarHBondContact O-CB 3.35Å; D1443-H1447 PolarHBondContact O-N 3.04Å; D1443-H1447 IonicContact OD1-CD2 3.23Å; D1443-H1447 PolarHBondContact OD1-CD2 3.36Å
1448L95Very high91Very high0 Ų053.7 Ų53.70%025%0.251CS..SBendtrans-96.81.7-178.5-52.1-176.2000114L1354 S1425 F1426 C1429 V1431 L1439 D1443 L1444 M1450L1354-L1448 HydrophobicContact CD1-CD2 3.91Å; L1354-L1448 HydrophobicContact CD1-CG 4.17Å; S1425-L1448 WeakPolarHBondContact O-CD2 3.35Å; F1426-L1448 HydrophobicContact CD1-CD1 4.49Å; F1426-L1448 HydrophobicContact CD2-CB 4.27Å; F1426-L1448 HydrophobicContact CD2-CD1 4.14Å; F1426-L1448 HydrophobicContact CD2-CD2 4.28Å; F1426-L1448 HydrophobicContact CD2-CG 4.47Å; F1426-L1448 HydrophobicContact CE1-CD1 4.12Å; F1426-L1448 HydrophobicContact CE2-CB 3.96Å; F1426-L1448 HydrophobicContact CE2-CD1 3.73Å; F1426-L1448 HydrophobicContact CE2-CG 4.31Å; F1426-L1448 HydrophobicContact CZ-CD1 3.72Å; C1429-L1448 HydrophobicContact CB-CD2 3.6Å; V1431-L1448 HydrophobicContact CG2-CD1 4.05Å; V1431-L1448 HydrophobicContact CG2-CD2 3.8Å; L1439-L1448 HydrophobicContact CD1-CD1 3.87Å; L1439-L1448 HydrophobicContact CD2-CD1 4.3Å; D1443-L1448 PolarHBondContact O-N 3.22Å; L1444-L1448 HydrophobicContact CD2-CD1 4.22Å; L1444-L1448 CarbonylContact O-C 3.56Å; L1448-M1450 PolarHBondContact O-N 2.83Å; L1448-M1450 VanDerWaalsContact O-N 3.08Å
1449K93.5Very high91.4Very high103 Ų10349.2 Ų49.245%0.44823%0.23SC..  trans60.617.4170.9-50.8173.4-162.3130.40114.1S1425 E1428 L1444 R1445 V1451S1425-K1449 WeakPolarHBondContact OG-CD 3.49Å; S1425-K1449 PolarHBondContact OG-NZ 3.4Å; E1428-K1449 IonicContact OE2-NZ 3.4Å; E1428-K1449 PolarHBondContact OE2-NZ 3.44Å; L1444-K1449 PolarHBondContact O-N 3.25Å; L1444-K1449 VanDerWaalsContact O-N 3.15Å; R1445-K1449 WeakPolarHBondContact O-CA 3.44Å; K1449-V1451 PolarHBondContact O-N 3.04Å; K1449-V1451 VanDerWaalsContact O-N 3.15Å
1450M94.6Very high91.6Very high0 Ų049.9 Ų49.90%023%0.233CC..  trans-88.570.5-178.9-164.5-176.2-80.800110.7L1419 Y1422 F1426 L1444 L1448 H1455 R1456 L1459L1419-M1450 HydrophobicContact CD1-CE 4.27Å; Y1422-M1450 HydrophobicContact CD1-CB 4.14Å; Y1422-M1450 HydrophobicContact CD1-CE 4.36Å; Y1422-M1450 HydrophobicContact CD1-CG 4.42Å; Y1422-M1450 HydrophobicContact CD2-CE 3.58Å; Y1422-M1450 HydrophobicContact CD2-CG 4.5Å; Y1422-M1450 HydrophobicContact CE1-CB 3.93Å; Y1422-M1450 HydrophobicContact CE1-CG 4.06Å; Y1422-M1450 HydrophobicContact CE2-CE 4.01Å; Y1422-M1450 HydrophobicContact CE2-CG 4.1Å; Y1422-M1450 HydrophobicContact CG-CE 3.77Å; F1426-M1450 HydrophobicContact CE2-CE 4.02Å; F1426-M1450 HydrophobicContact CZ-CE 4.26Å; L1444-M1450 WeakPolarHBondContact O-CA 3.49Å; L1444-M1450 WeakPolarHBondContact O-CB 3.19Å; L1444-M1450 PolarHBondContact O-N 3.18Å; L1448-M1450 PolarHBondContact O-N 2.83Å; L1448-M1450 VanDerWaalsContact O-N 3.08Å; M1450-H1455 HydrophobicContact CG-CB 4.02Å; M1450-H1455 HydrophobicContact SD-CB 4.21Å; M1450-R1456 HydrophobicContact CB-CG 4.43Å; M1450-R1456 HydrophobicContact CG-CG 3.79Å; M1450-R1456 WeakPolarHBondContact O-CD 3.28Å; M1450-R1456 PolarHBondContact O-NE 3.39Å; M1450-R1456 HydrophobicContact SD-CB 4.4Å; M1450-R1456 HydrophobicContact SD-CG 3.67Å; M1450-L1459 HydrophobicContact CE-CB 4.48Å; M1450-L1459 HydrophobicContact CE-CD2 4.15Å; M1450-L1459 HydrophobicContact SD-CB 4.29Å; M1450-L1459 HydrophobicContact SD-CD2 4.03Å
1451V86.7Confident92Very high99 Ų9948.3 Ų48.360%0.622%0.222SC*.  trans-65.6-42.9179.4-178.10000111.7K1449 R1456K1449-V1451 PolarHBondContact O-N 3.04Å; K1449-V1451 VanDerWaalsContact O-N 3.15Å; V1451-R1456 PolarHBondContact O-NE 3.41Å; V1451-R1456 PolarHBondContact O-NH2 3.15Å
1452D91.3Very high92.4Very high66 Ų6646.7 Ų46.735%0.35322%0.215SC..  trans-48.4140.4179.7-162.8-48.5000112.6F1454 H1455 R1456D1452-F1454 WeakPolarHBondContact OD1-CB 3.37Å; D1452-F1454 PolarHBondContact OD1-N 2.84Å; D1452-H1455 HydrophobicContact CB-CB 4.12Å; D1452-H1455 VanDerWaalsContact CB-ND1 3.35Å; D1452-H1455 WeakPolarHBondContact CB-ND1 3.48Å; D1452-H1455 PolarHBondContact OD1-N 2.89Å; D1452-H1455 IonicContact OD1-ND1 3.16Å; D1452-H1455 IonicContact OD2-CE1 2.72Å; D1452-H1455 PolarHBondContact OD2-CE1 3.36Å; D1452-H1455 IonicContact OD2-ND1 2.75Å; D1452-H1455 PolarHBondContact OD2-ND1 3.05Å; D1452-R1456 WeakPolarHBondContact O-CG 3.37Å; D1452-R1456 PolarHBondContact O-NE 2.97Å; D1452-R1456 PolarHBondContact O-NH2 3.26Å
1453Q89.6Confident92.8Very high124 Ų12438.8 Ų38.858%0.57919%0.185SC*.Hα-helixtrans-83.2-38.4178.4-177.5153.2-41.900112.6R1456 L1457Q1453-R1456 PolarHBondContact O-N 3.31Å; Q1453-L1457 PolarHBondContact O-N 3.13Å
1454F93Very high92.6Very high54 Ų5439.9 Ų39.924%0.23719%0.19CC..Hα-helixtrans-67.9-42.3-179.2-174.5-108.6000111.1D1452 R1456 L1457 S1458 S1517 V1519 L1523 F1530 I1538D1452-F1454 WeakPolarHBondContact OD1-CB 3.37Å; D1452-F1454 PolarHBondContact OD1-N 2.84Å; F1454-R1456 VanDerWaalsContact C-N 3.29Å; F1454-R1456 PolarHBondContact O-N 3.19Å; F1454-L1457 PolarHBondContact O-N 3.47Å; F1454-S1458 WeakPolarHBondContact O-CB 3.29Å; F1454-S1458 PolarHBondContact O-N 2.82Å; F1454-S1517 VanDerWaalsContact CE1-O 3.26Å; F1454-S1517 WeakPolarHBondContact CE1-O 3.32Å; F1454-V1519 HydrophobicContact CE1-CG2 4.16Å; F1454-V1519 HydrophobicContact CZ-CG2 4.17Å; F1454-L1523 HydrophobicContact CE1-CD2 4.4Å; F1454-L1523 HydrophobicContact CE2-CD2 4.14Å; F1454-L1523 HydrophobicContact CZ-CD2 3.6Å; F1454-F1530 HydrophobicContact CE2-CD2 4.41Å; F1454-F1530 HydrophobicContact CZ-CD2 4.41Å; F1454-F1530 HydrophobicContact CZ-CE2 4.11Å; F1454-I1538 HydrophobicContact CE1-CD1 3.69Å; F1454-I1538 HydrophobicContact CE1-CG1 4.41Å; F1454-I1538 HydrophobicContact CE2-CD1 4.03Å; F1454-I1538 HydrophobicContact CZ-CD1 3.32Å; F1454-I1538 HydrophobicContact CZ-CG1 4.43Å
1455H96Very high92.5Very high9 Ų940.1 Ų40.14%0.04219%0.193CC..Hα-helixtrans-64.8-30.7174.5-60.3133.3000113.3L1419 Y1422 M1450 D1452 L1459 D1516 S1517L1419-H1455 HydrophobicContact CD2-CB 3.76Å; L1419-H1455 VanDerWaalsContact CD2-CD2 3.45Å; L1419-H1455 WeakPolarHBondContact CD2-CD2 3.25Å; Y1422-H1455 HydrophobicContact CE2-CB 3.88Å; Y1422-H1455 AromaticContact CE2-CG 3.82Å; Y1422-H1455 AromaticContact CE2-ND1 3.79Å; Y1422-H1455 AromaticContact CZ-ND1 3.93Å; Y1422-H1455 PolarHBondContact OH-ND1 3.19Å; Y1422-H1455 VanDerWaalsContact OH-ND1 3.15Å; M1450-H1455 HydrophobicContact CG-CB 4.02Å; M1450-H1455 HydrophobicContact SD-CB 4.21Å; D1452-H1455 HydrophobicContact CB-CB 4.12Å; D1452-H1455 VanDerWaalsContact CB-ND1 3.35Å; D1452-H1455 WeakPolarHBondContact CB-ND1 3.48Å; D1452-H1455 PolarHBondContact OD1-N 2.89Å; D1452-H1455 IonicContact OD1-ND1 3.16Å; D1452-H1455 IonicContact OD2-CE1 2.72Å; D1452-H1455 PolarHBondContact OD2-CE1 3.36Å; D1452-H1455 IonicContact OD2-ND1 2.75Å; D1452-H1455 PolarHBondContact OD2-ND1 3.05Å; H1455-L1459 WeakPolarHBondContact O-CB 3.35Å; H1455-L1459 PolarHBondContact O-N 3.05Å; H1455-D1516 PolarHBondContact NE2-O 3.11Å; H1455-S1517 PolarHBondContact CD2-O 2.69Å; H1455-S1517 PolarHBondContact NE2-O 3.21Å
1456R95Very high92.5Very high13 Ų1335.3 Ų35.35%0.04918%0.175CC..Hα-helixtrans-71.1-37.2173.4-75-177.6-78.6118.81.6112L1444 M1450 V1451 D1452 Q1453 F1454 Y1460L1444-R1456 HydrophobicContact CB-CG 4.34Å; L1444-R1456 HydrophobicContact CD1-CG 4.02Å; M1450-R1456 HydrophobicContact CB-CG 4.43Å; M1450-R1456 HydrophobicContact CG-CG 3.79Å; M1450-R1456 WeakPolarHBondContact O-CD 3.28Å; M1450-R1456 PolarHBondContact O-NE 3.39Å; M1450-R1456 HydrophobicContact SD-CB 4.4Å; M1450-R1456 HydrophobicContact SD-CG 3.67Å; V1451-R1456 PolarHBondContact O-NE 3.41Å; V1451-R1456 PolarHBondContact O-NH2 3.15Å; D1452-R1456 WeakPolarHBondContact O-CG 3.37Å; D1452-R1456 PolarHBondContact O-NE 2.97Å; D1452-R1456 PolarHBondContact O-NH2 3.26Å; Q1453-R1456 PolarHBondContact O-N 3.31Å; F1454-R1456 VanDerWaalsContact C-N 3.29Å; F1454-R1456 PolarHBondContact O-N 3.19Å; R1456-Y1460 PolarHBondContact O-N 2.86Å
1457L92.3Very high92.5Very high36 Ų3635.6 Ų35.619%0.18817%0.172CC..Hα-helixtrans-68.2-44.4174.6-172.462.6000111.5Q1453 F1454 L1459 Y1460 Y1461 D1527 I1588Q1453-L1457 PolarHBondContact O-N 3.13Å; F1454-L1457 PolarHBondContact O-N 3.47Å; L1457-L1459 PolarHBondContact O-N 2.91Å; L1457-Y1460 WeakPolarHBondContact O-CB 3.36Å; L1457-Y1460 PolarHBondContact O-N 3.06Å; L1457-Y1461 HydrophobicContact CD1-CD2 4.1Å; L1457-Y1461 HydrophobicContact CD1-CE2 3.42Å; L1457-Y1461 VanDerWaalsContact CD1-CE2 3.42Å; L1457-Y1461 HydrophobicContact CD2-CE2 4.29Å; L1457-Y1461 HydrophobicContact CG-CD2 3.99Å; L1457-Y1461 HydrophobicContact CG-CE2 3.58Å; L1457-Y1461 WeakPolarHBondContact O-CD2 3.47Å; L1457-Y1461 PolarHBondContact O-N 2.74Å; L1457-D1527 WeakPolarHBondContact CD2-OD2 3.46Å; L1457-I1588 HydrophobicContact CD1-CD1 4.16Å
1458S94.7Very high92.2Very high0 Ų037.6 Ų37.60%018%0.178CC..Hα-helixtrans-55-49.3170166.70000112.2F1454 Y1460 Y1461 G1462 G1518 H1520F1454-S1458 WeakPolarHBondContact O-CB 3.29Å; F1454-S1458 PolarHBondContact O-N 2.82Å; S1458-Y1460 VanDerWaalsContact C-N 3.3Å; S1458-Y1460 PolarHBondContact O-N 3.37Å; S1458-Y1461 PolarHBondContact O-N 3.03Å; S1458-G1462 PolarHBondContact O-N 2.62Å; S1458-G1518 WeakPolarHBondContact CB-O 3.48Å; S1458-G1518 WeakPolarHBondContact OG-CA 3.46Å; S1458-G1518 PolarHBondContact OG-O 3.27Å; S1458-H1520 PolarHBondContact O-CE1 3.06Å; S1458-H1520 VanDerWaalsContact O-CE1 3.3Å; S1458-H1520 PolarHBondContact OG-CE1 3.06Å; S1458-H1520 PolarHBondContact OG-ND1 2.93Å
1459L96.4Very high91.7Very high2 Ų238 Ų381%0.0118%0.18CC..Hα-helixtrans-58.3-42.8176.2-176.870.1000111.5W1413 L1414 L1417 L1419 F1426 L1444 M1450 H1455 L1457 G1462 I1463W1413-L1459 HydrophobicContact CH2-CD1 3.74Å; W1413-L1459 HydrophobicContact CZ3-CD1 3.85Å; L1414-L1459 HydrophobicContact CD1-CD1 4.1Å; L1417-L1459 HydrophobicContact CD1-CD1 4.31Å; L1419-L1459 HydrophobicContact CD1-CB 4.13Å; L1419-L1459 HydrophobicContact CD1-CD1 4.41Å; F1426-L1459 HydrophobicContact CE1-CD1 4.37Å; F1426-L1459 HydrophobicContact CZ-CD1 4.12Å; F1426-L1459 HydrophobicContact CZ-CD2 3.95Å; L1444-L1459 HydrophobicContact CD2-CD2 3.58Å; M1450-L1459 HydrophobicContact CE-CB 4.48Å; M1450-L1459 HydrophobicContact CE-CD2 4.15Å; M1450-L1459 HydrophobicContact SD-CB 4.29Å; M1450-L1459 HydrophobicContact SD-CD2 4.03Å; H1455-L1459 WeakPolarHBondContact O-CB 3.35Å; H1455-L1459 PolarHBondContact O-N 3.05Å; L1457-L1459 PolarHBondContact O-N 2.91Å; L1459-G1462 PolarHBondContact O-N 3.42Å; L1459-I1463 HydrophobicContact CG-CD1 4.05Å; L1459-I1463 VanDerWaalsContact O-CG1 3.25Å; L1459-I1463 WeakPolarHBondContact O-CG1 3.41Å; L1459-I1463 PolarHBondContact O-N 3.46Å
1460Y94.5Very high90.9Very high17 Ų1738.1 Ų38.17%0.06719%0.185CC..Hα-helixtrans-59.3-49176.9170.5-105.4000112.4R1456 L1457 S1458 G1462 I1463 M1464 T1583 A1584 W1587R1456-Y1460 PolarHBondContact O-N 2.86Å; L1457-Y1460 WeakPolarHBondContact O-CB 3.36Å; L1457-Y1460 PolarHBondContact O-N 3.06Å; S1458-Y1460 VanDerWaalsContact C-N 3.3Å; S1458-Y1460 PolarHBondContact O-N 3.37Å; Y1460-G1462 VanDerWaalsContact C-N 3.32Å; Y1460-G1462 PolarHBondContact O-N 2.87Å; Y1460-I1463 CarbonylContact O-C 3.22Å; Y1460-I1463 WeakPolarHBondContact O-CA 3.31Å; Y1460-I1463 WeakPolarHBondContact O-CB 3.41Å; Y1460-I1463 PolarHBondContact O-N 2.92Å; Y1460-I1463 VanDerWaalsContact O-N 3.08Å; Y1460-M1464 HydrophobicContact CD1-CG 4.46Å; Y1460-M1464 HydrophobicContact CD1-SD 4.25Å; Y1460-M1464 HydrophobicContact CE1-CG 4.1Å; Y1460-M1464 HydrophobicContact CE1-SD 3.51Å; Y1460-M1464 VanDerWaalsContact CE1-SD 3.51Å; Y1460-M1464 HydrophobicContact CE2-CG 4.27Å; Y1460-M1464 WeakPolarHBondContact O-CG 3.5Å; Y1460-M1464 PolarHBondContact O-N 3.07Å; Y1460-T1583 PolarHBondContact OH-O 2.86Å; Y1460-A1584 HydrophobicContact CE1-CB 3.72Å; Y1460-W1587 HydrophobicContact CD2-CB 4.07Å; Y1460-W1587 AromaticContact CD2-CD2 3.67Å; Y1460-W1587 HydrophobicContact CD2-CD2 3.67Å; Y1460-W1587 AromaticContact CD2-CE3 3.39Å; Y1460-W1587 HydrophobicContact CD2-CE3 3.39Å; Y1460-W1587 AromaticContact CD2-CG 3.96Å; Y1460-W1587 HydrophobicContact CD2-CG 3.96Å; Y1460-W1587 HydrophobicContact CD2-CZ3 4.1Å; Y1460-W1587 HydrophobicContact CE2-CB 3.59Å; Y1460-W1587 AromaticContact CE2-CD2 3.79Å; Y1460-W1587 HydrophobicContact CE2-CD2 3.79Å; Y1460-W1587 HydrophobicContact CE2-CE3 4.01Å; Y1460-W1587 AromaticContact CE2-CG 3.6Å; Y1460-W1587 HydrophobicContact CE2-CG 3.6Å; Y1460-W1587 HydrophobicContact CG-CE3 4.3Å
1461Y95.2Very high90.5Very high12 Ų1239.5 Ų39.55%0.04719%0.191CC..Hα-helixtrans-68-31.2177.6-68.8-62.4000113.1L1457 S1458 M1464 C1465 L1523 L1526 D1527L1457-Y1461 HydrophobicContact CD1-CD2 4.1Å; L1457-Y1461 HydrophobicContact CD1-CE2 3.42Å; L1457-Y1461 VanDerWaalsContact CD1-CE2 3.42Å; L1457-Y1461 HydrophobicContact CD2-CE2 4.29Å; L1457-Y1461 HydrophobicContact CG-CD2 3.99Å; L1457-Y1461 HydrophobicContact CG-CE2 3.58Å; L1457-Y1461 WeakPolarHBondContact O-CD2 3.47Å; L1457-Y1461 PolarHBondContact O-N 2.74Å; S1458-Y1461 PolarHBondContact O-N 3.03Å; Y1461-M1464 HydrophobicContact CD1-SD 3.68Å; Y1461-M1464 HydrophobicContact CE1-SD 3.9Å; Y1461-M1464 PolarHBondContact O-N 3.12Å; Y1461-C1465 PolarHBondContact O-N 3.23Å; Y1461-L1523 HydrophobicContact CD2-CD1 3.62Å; Y1461-L1523 HydrophobicContact CE2-CD1 4.2Å; Y1461-L1526 HydrophobicContact CD1-CB 3.41Å; Y1461-L1526 VanDerWaalsContact CD1-CB 3.41Å; Y1461-L1526 HydrophobicContact CD1-CD1 4.26Å; Y1461-L1526 HydrophobicContact CE1-CB 3.82Å; Y1461-L1526 WeakPolarHBondContact CE1-O 3.24Å; Y1461-L1526 HydrophobicContact CG-CB 4.21Å; Y1461-D1527 HydrophobicContact CD2-CB 3.93Å; Y1461-D1527 HydrophobicContact CE1-CB 4.46Å; Y1461-D1527 HydrophobicContact CE2-CB 3.4Å; Y1461-D1527 VanDerWaalsContact CE2-CB 3.4Å; Y1461-D1527 WeakPolarHBondContact CE2-OD2 3.48Å
1462G94.7Very high90.2Very high0 Ų036 Ų360%017%0.169CC..Hα-helixtrans-59.7-42.5166.900000112.7S1458 L1459 Y1460 C1465 L1466S1458-G1462 PolarHBondContact O-N 2.62Å; L1459-G1462 PolarHBondContact O-N 3.42Å; Y1460-G1462 VanDerWaalsContact C-N 3.32Å; Y1460-G1462 PolarHBondContact O-N 2.87Å; G1462-C1465 WeakPolarHBondContact O-CB 3.44Å; G1462-C1465 PolarHBondContact O-N 3.5Å; G1462-L1466 PolarHBondContact O-N 3.32Å; G1462-L1466 VanDerWaalsContact O-N 3.13Å
1463I92.1Very high89.9Confident3 Ų335.7 Ų35.72%0.01516%0.163CC..Hα-helixtrans-67.2-39.6174.9-64.8163.8000110.8W1413 L1436 L1459 Y1460 C1465 L1466 K1467 W1587W1413-I1463 HydrophobicContact CH2-CG1 3.94Å; W1413-I1463 HydrophobicContact CZ2-CG1 4.3Å; L1436-I1463 HydrophobicContact CB-CD1 3.99Å; L1436-I1463 HydrophobicContact CB-CG1 4.01Å; L1436-I1463 HydrophobicContact CB-CG2 4.46Å; L1436-I1463 HydrophobicContact CD1-CG1 4.21Å; L1436-I1463 HydrophobicContact CD2-CD1 4.36Å; L1436-I1463 HydrophobicContact CD2-CG1 4.43Å; L1436-I1463 HydrophobicContact CG-CG1 4.45Å; L1459-I1463 HydrophobicContact CG-CD1 4.05Å; L1459-I1463 VanDerWaalsContact O-CG1 3.25Å; L1459-I1463 WeakPolarHBondContact O-CG1 3.41Å; L1459-I1463 PolarHBondContact O-N 3.46Å; Y1460-I1463 CarbonylContact O-C 3.22Å; Y1460-I1463 WeakPolarHBondContact O-CA 3.31Å; Y1460-I1463 WeakPolarHBondContact O-CB 3.41Å; Y1460-I1463 PolarHBondContact O-N 2.92Å; Y1460-I1463 VanDerWaalsContact O-N 3.08Å; I1463-C1465 VanDerWaalsContact C-N 3.27Å; I1463-C1465 PolarHBondContact O-N 3.32Å; I1463-L1466 PolarHBondContact O-N 3.43Å; I1463-K1467 HydrophobicContact CG2-CD 4.3Å; I1463-K1467 WeakPolarHBondContact O-CG 3.42Å; I1463-K1467 PolarHBondContact O-N 3.36Å; I1463-W1587 HydrophobicContact CD1-CH2 4.3Å
1464M89.1Confident89.6Confident42 Ų4233.3 Ų33.321%0.20716%0.16CC..Hα-helixtrans-61.6-34.7173.2-66.5-166.794.100112.3Y1460 Y1461 K1467 R1468 L1526Y1460-M1464 HydrophobicContact CD1-CG 4.46Å; Y1460-M1464 HydrophobicContact CD1-SD 4.25Å; Y1460-M1464 HydrophobicContact CE1-CG 4.1Å; Y1460-M1464 HydrophobicContact CE1-SD 3.51Å; Y1460-M1464 VanDerWaalsContact CE1-SD 3.51Å; Y1460-M1464 HydrophobicContact CE2-CG 4.27Å; Y1460-M1464 WeakPolarHBondContact O-CG 3.5Å; Y1460-M1464 PolarHBondContact O-N 3.07Å; Y1461-M1464 HydrophobicContact CD1-SD 3.68Å; Y1461-M1464 HydrophobicContact CE1-SD 3.9Å; Y1461-M1464 PolarHBondContact O-N 3.12Å; M1464-K1467 PolarHBondContact O-N 2.58Å; M1464-R1468 WeakPolarHBondContact O-CB 3.43Å; M1464-R1468 WeakPolarHBondContact O-CG 3.39Å; M1464-R1468 PolarHBondContact O-N 3.08Å; M1464-L1526 HydrophobicContact CB-CD1 3.8Å
1465C91.3Very high89.2Confident14 Ų1433 Ų3310%0.09516%0.159CC..Hα-helixtrans-66.4-44.8174.5-170.80000111.7Y1461 G1462 I1463 K1467 R1468 L1469 L1491 A1522Y1461-C1465 PolarHBondContact O-N 3.23Å; G1462-C1465 WeakPolarHBondContact O-CB 3.44Å; G1462-C1465 PolarHBondContact O-N 3.5Å; I1463-C1465 VanDerWaalsContact C-N 3.27Å; I1463-C1465 PolarHBondContact O-N 3.32Å; C1465-K1467 VanDerWaalsContact C-N 3.35Å; C1465-K1467 PolarHBondContact O-N 2.99Å; C1465-R1468 PolarHBondContact O-N 3.22Å; C1465-L1469 WeakPolarHBondContact O-CG 3.42Å; C1465-L1469 PolarHBondContact O-N 3.43Å; C1465-L1491 PolarHBondContact SG-O 3.43Å; C1465-A1522 HydrophobicContact CB-CB 3.6Å
1466L90.4Very high88.8Confident3 Ų332.9 Ų32.92%0.01616%0.158CC..Hα-helixtrans-58.4-45.4172.5-67.5-175.4000112.1W1408 W1413 L1436 G1462 I1463 R1468 L1469 D1470 Y1471 I1476W1408-L1466 HydrophobicContact CH2-CD2 4.13Å; W1408-L1466 HydrophobicContact CZ3-CD2 4.4Å; W1413-L1466 HydrophobicContact CD2-CD1 4.35Å; W1413-L1466 HydrophobicContact CH2-CD1 4.32Å; W1413-L1466 HydrophobicContact CZ2-CD1 3.53Å; W1413-L1466 HydrophobicContact CZ2-CG 3.96Å; L1436-L1466 HydrophobicContact CD1-CD1 3.59Å; G1462-L1466 PolarHBondContact O-N 3.32Å; G1462-L1466 VanDerWaalsContact O-N 3.13Å; I1463-L1466 PolarHBondContact O-N 3.43Å; L1466-R1468 PolarHBondContact O-N 2.79Å; L1466-L1469 CarbonylContact O-C 3.56Å; L1466-L1469 PolarHBondContact O-N 2.95Å; L1466-L1469 VanDerWaalsContact O-N 3.12Å; L1466-D1470 PolarHBondContact O-N 3.5Å; L1466-Y1471 HydrophobicContact CB-CD1 3.8Å; L1466-Y1471 HydrophobicContact CB-CE1 3.79Å; L1466-Y1471 HydrophobicContact CB-CG 4.38Å; L1466-Y1471 HydrophobicContact CD1-CD1 4.08Å; L1466-Y1471 HydrophobicContact CD1-CE1 3.96Å; L1466-Y1471 HydrophobicContact CG-CD1 4.49Å; L1466-Y1471 PolarHBondContact O-N 3.45Å; L1466-I1476 HydrophobicContact CD2-CD1 3.41Å; L1466-I1476 VanDerWaalsContact CD2-CD1 3.41Å
1467K86.3Confident88.4Confident95 Ų9535.2 Ų35.241%0.41317%0.17SC..Hα-helixtrans-61.9-38.8178-75-179.6175.2-174.30112.9I1463 M1464 C1465 L1469 D1470 Y1471I1463-K1467 HydrophobicContact CG2-CD 4.3Å; I1463-K1467 WeakPolarHBondContact O-CG 3.42Å; I1463-K1467 PolarHBondContact O-N 3.36Å; M1464-K1467 PolarHBondContact O-N 2.58Å; C1465-K1467 VanDerWaalsContact C-N 3.35Å; C1465-K1467 PolarHBondContact O-N 2.99Å; K1467-L1469 PolarHBondContact O-N 3.07Å; K1467-D1470 PolarHBondContact O-N 3.44Å; K1467-Y1471 HydrophobicContact CB-CE2 4.43Å; K1467-Y1471 WeakPolarHBondContact CE-OH 3.45Å; K1467-Y1471 HydrophobicContact CG-CE2 3.65Å; K1467-Y1471 WeakPolarHBondContact CG-OH 3.45Å
1468R85.5Confident88.3Confident98 Ų9839 Ų3937%0.3718%0.182SC..THydrogen-bonded Turntrans-72.1-4.1175.7-79.5-173.4170.595.8-2.4114.5M1464 C1465 L1466 L1526 M1579M1464-R1468 WeakPolarHBondContact O-CB 3.43Å; M1464-R1468 WeakPolarHBondContact O-CG 3.39Å; M1464-R1468 PolarHBondContact O-N 3.08Å; C1465-R1468 PolarHBondContact O-N 3.22Å; L1466-R1468 PolarHBondContact O-N 2.79Å; R1468-L1526 VanDerWaalsContact NH1-CD2 3.32Å; R1468-M1579 PolarHBondContact NH2-SD 2.86Å
1469L83.5Confident88.1Confident9 Ų940 Ų405%0.04719%0.186CC..THydrogen-bonded Turntrans-121.520.4180-63.2171000111.4C1465 L1466 K1467 Y1471 D1472 I1476 V1492C1465-L1469 WeakPolarHBondContact O-CG 3.42Å; C1465-L1469 PolarHBondContact O-N 3.43Å; L1466-L1469 CarbonylContact O-C 3.56Å; L1466-L1469 PolarHBondContact O-N 2.95Å; L1466-L1469 VanDerWaalsContact O-N 3.12Å; K1467-L1469 PolarHBondContact O-N 3.07Å; L1469-Y1471 PolarHBondContact O-N 2.88Å; L1469-D1472 WeakPolarHBondContact O-CB 3.28Å; L1469-D1472 PolarHBondContact O-N 3.37Å; L1469-I1476 HydrophobicContact CB-CG1 4.12Å; L1469-I1476 HydrophobicContact CD1-CD1 4.5Å; L1469-I1476 HydrophobicContact CD1-CG1 3.51Å; L1469-I1476 HydrophobicContact CG-CG1 4.43Å; L1469-V1492 HydrophobicContact CD1-CG1 4.03Å
1470D77.1Confident87.9Confident104 Ų10442 Ų4256%0.55619%0.193SC*.THydrogen-bonded Turntrans51.824.9-177.7-55.2-35.2000114.1L1466 K1467 D1472L1466-D1470 PolarHBondContact O-N 3.5Å; K1467-D1470 PolarHBondContact O-N 3.44Å; D1470-D1472 PolarHBondContact O-N 3.21Å
1471Y85.7Confident87.6Confident29 Ų2948.1 Ų48.111%0.11422%0.222CC..THydrogen-bonded Turntrans52.730.6-168.6-65.8-99.8000113.3P1398 L1399 L1404 A1433 L1466 K1467 L1469 R1473P1398-Y1471 WeakPolarHBondContact CB-O 3.28Å; L1399-Y1471 HydrophobicContact CD1-CG 4.2Å; L1399-Y1471 HydrophobicContact CD2-CD1 4.38Å; L1399-Y1471 HydrophobicContact CD2-CG 4.33Å; L1404-Y1471 HydrophobicContact CD1-CD1 4.12Å; L1404-Y1471 HydrophobicContact CD1-CG 4.4Å; L1404-Y1471 WeakPolarHBondContact CD1-O 3.23Å; A1433-Y1471 HydrophobicContact CB-CD1 4.08Å; A1433-Y1471 HydrophobicContact CB-CE1 4.28Å; L1466-Y1471 HydrophobicContact CB-CD1 3.8Å; L1466-Y1471 HydrophobicContact CB-CE1 3.79Å; L1466-Y1471 HydrophobicContact CB-CG 4.38Å; L1466-Y1471 HydrophobicContact CD1-CD1 4.08Å; L1466-Y1471 HydrophobicContact CD1-CE1 3.96Å; L1466-Y1471 HydrophobicContact CG-CD1 4.49Å; L1466-Y1471 PolarHBondContact O-N 3.45Å; K1467-Y1471 HydrophobicContact CB-CE2 4.43Å; K1467-Y1471 WeakPolarHBondContact CE-OH 3.45Å; K1467-Y1471 HydrophobicContact CG-CE2 3.65Å; K1467-Y1471 WeakPolarHBondContact CG-OH 3.45Å; L1469-Y1471 PolarHBondContact O-N 2.88Å; Y1471-R1473 PolarHBondContact O-N 3.04Å
1472D80.2Confident87.1Confident26 Ų2650.5 Ų50.514%0.13924%0.244CC..  trans-80.696.6175.4-166.2-38.9000110.4P1398 L1469 D1470 S1474 E1475 I1476 R1647P1398-D1472 HydrophobicContact CG-CB 4.5Å; L1469-D1472 WeakPolarHBondContact O-CB 3.28Å; L1469-D1472 PolarHBondContact O-N 3.37Å; D1470-D1472 PolarHBondContact O-N 3.21Å; D1472-S1474 PolarHBondContact O-N 3.45Å; D1472-S1474 WeakPolarHBondContact OD1-CB 3.33Å; D1472-S1474 PolarHBondContact OD1-N 2.78Å; D1472-S1474 VanDerWaalsContact OD1-N 3.11Å; D1472-E1475 HydrophobicContact CB-CB 3.88Å; D1472-E1475 PolarHBondContact O-N 2.92Å; D1472-E1475 VanDerWaalsContact O-N 3.16Å; D1472-E1475 PolarHBondContact OD1-N 3.22Å; D1472-I1476 WeakPolarHBondContact O-CD1 3.37Å; D1472-I1476 WeakPolarHBondContact O-CG1 3.36Å; D1472-I1476 PolarHBondContact O-N 3.47Å; D1472-R1647 IonicContact OD2-CZ 2.67Å; D1472-R1647 IonicContact OD2-NH1 3.71Å; D1472-R1647 PolarHBondContact OD2-NH1 2.96Å; D1472-R1647 IonicContact OD2-NH2 3.86Å
1473R86Confident86.7Confident59 Ų5950.6 Ų50.622%0.22325%0.245CC..Hα-helixtrans-51.6-43.4177.2-178.9177.2162.8177.2-3.8112.3E1403 L1404 W1408 Y1471 E1475 I1476 E1477E1403-R1473 VanDerWaalsContact O-CD 3.23Å; E1403-R1473 WeakPolarHBondContact O-CD 3.42Å; E1403-R1473 PolarHBondContact O-NH1 3.08Å; L1404-R1473 HydrophobicContact CD2-CB 3.76Å; L1404-R1473 HydrophobicContact CD2-CG 4.18Å; L1404-R1473 HydrophobicContact CG-CB 4.28Å; W1408-R1473 HydrophobicContact CZ2-CG 4.05Å; W1408-R1473 VanDerWaalsContact NE1-NE 3.18Å; Y1471-R1473 PolarHBondContact O-N 3.04Å; R1473-E1475 VanDerWaalsContact C-N 3.34Å; R1473-I1476 PolarHBondContact O-N 2.99Å; R1473-E1477 IonicContact CZ-OE1 2.63Å; R1473-E1477 IonicContact NE-OE1 3.51Å; R1473-E1477 PolarHBondContact NE-OE1 2.69Å; R1473-E1477 IonicContact NE-OE2 2.74Å; R1473-E1477 IonicContact NH2-OE1 3.75Å; R1473-E1477 PolarHBondContact NH2-OE1 2.69Å; R1473-E1477 VanDerWaalsContact NH2-OE1 3.16Å; R1473-E1477 IonicContact NH2-OE2 3.51Å; R1473-E1477 WeakPolarHBondContact O-CG 3.5Å; R1473-E1477 PolarHBondContact O-N 2.96Å
1474S82.3Confident86.2Confident74 Ų7455 Ų5552%0.51727%0.265SS..Hα-helixtrans-68.2-37.2-177-67.40000111D1472 R1478D1472-S1474 PolarHBondContact O-N 3.45Å; D1472-S1474 WeakPolarHBondContact OD1-CB 3.33Å; D1472-S1474 PolarHBondContact OD1-N 2.78Å; D1472-S1474 VanDerWaalsContact OD1-N 3.11Å; S1474-R1478 WeakPolarHBondContact O-CB 3.48Å; S1474-R1478 PolarHBondContact O-N 2.86Å
1475E85.1Confident85.8Confident48 Ų4860.6 Ų60.622%0.22430%0.296CS..Hα-helixtrans-70.1-38.3175.2-175.161-169.800112.4D1472 R1473 R1478 R1479D1472-E1475 HydrophobicContact CB-CB 3.88Å; D1472-E1475 PolarHBondContact O-N 2.92Å; D1472-E1475 VanDerWaalsContact O-N 3.16Å; D1472-E1475 PolarHBondContact OD1-N 3.22Å; R1473-E1475 VanDerWaalsContact C-N 3.34Å; E1475-R1478 VanDerWaalsContact CD-NH2 3.34Å; E1475-R1478 PolarHBondContact O-N 3.02Å; E1475-R1478 IonicContact OE1-CZ 2.75Å; E1475-R1478 IonicContact OE1-NE 3.8Å; E1475-R1478 IonicContact OE1-NH2 3.67Å; E1475-R1478 PolarHBondContact OE1-NH2 3.03Å; E1475-R1478 IonicContact OE2-CZ 4Å; E1475-R1478 IonicContact OE2-NE 3.54Å; E1475-R1478 PolarHBondContact OE2-NE 3.32Å; E1475-R1478 IonicContact OE2-NH2 3.85Å; E1475-R1478 PolarHBondContact OE2-NH2 3.24Å; E1475-R1479 HydrophobicContact CG-CG 4.4Å; E1475-R1479 WeakPolarHBondContact O-CB 3.22Å; E1475-R1479 VanDerWaalsContact O-CG 3.26Å; E1475-R1479 WeakPolarHBondContact O-CG 3.49Å; E1475-R1479 PolarHBondContact O-N 3.41Å; E1475-R1479 WeakPolarHBondContact OE1-CD 3.43Å
1476I86.9Confident85.2Confident6 Ų661.6 Ų61.63%0.03130%0.303CS..Hα-helixtrans-60.1-50.5173-66.9154.8000110.8W1408 L1466 L1469 D1472 R1473 R1479 R1480W1408-I1476 HydrophobicContact CH2-CD1 4.32Å; L1466-I1476 HydrophobicContact CD2-CD1 3.41Å; L1466-I1476 VanDerWaalsContact CD2-CD1 3.41Å; L1469-I1476 HydrophobicContact CB-CG1 4.12Å; L1469-I1476 HydrophobicContact CD1-CD1 4.5Å; L1469-I1476 HydrophobicContact CD1-CG1 3.51Å; L1469-I1476 HydrophobicContact CG-CG1 4.43Å; D1472-I1476 WeakPolarHBondContact O-CD1 3.37Å; D1472-I1476 WeakPolarHBondContact O-CG1 3.36Å; D1472-I1476 PolarHBondContact O-N 3.47Å; R1473-I1476 PolarHBondContact O-N 2.99Å; I1476-R1479 PolarHBondContact O-N 3.46Å; I1476-R1480 WeakPolarHBondContact O-CB 3.49Å; I1476-R1480 WeakPolarHBondContact O-CG 3.36Å; I1476-R1480 PolarHBondContact O-N 2.84Å
1477E87.7Confident84.7Confident63 Ų6365 Ų6529%0.29432%0.321SS..Hα-helixtrans-64-44.5179.9-70.9173.7-177.600110.4W1408 R1473 R1479 R1480 E1481W1408-E1477 PolarHBondContact NE1-OE1 2.75Å; R1473-E1477 IonicContact CZ-OE1 2.63Å; R1473-E1477 IonicContact NE-OE1 3.51Å; R1473-E1477 PolarHBondContact NE-OE1 2.69Å; R1473-E1477 IonicContact NE-OE2 2.74Å; R1473-E1477 IonicContact NH2-OE1 3.75Å; R1473-E1477 PolarHBondContact NH2-OE1 2.69Å; R1473-E1477 VanDerWaalsContact NH2-OE1 3.16Å; R1473-E1477 IonicContact NH2-OE2 3.51Å; R1473-E1477 WeakPolarHBondContact O-CG 3.5Å; R1473-E1477 PolarHBondContact O-N 2.96Å; E1477-R1479 PolarHBondContact O-N 3.43Å; E1477-R1480 PolarHBondContact O-N 2.85Å; E1477-E1481 WeakPolarHBondContact O-CG 3.3Å; E1477-E1481 PolarHBondContact O-N 2.88Å
1478R90Very high84.5Confident114 Ų11465.4 Ų65.443%0.4333%0.328SS..Hα-helixtrans-61.9-42176.4-170.5-163.371.971.5-2.3113.7S1474 E1475 A1482S1474-R1478 WeakPolarHBondContact O-CB 3.48Å; S1474-R1478 PolarHBondContact O-N 2.86Å; E1475-R1478 VanDerWaalsContact CD-NH2 3.34Å; E1475-R1478 PolarHBondContact O-N 3.02Å; E1475-R1478 IonicContact OE1-CZ 2.75Å; E1475-R1478 IonicContact OE1-NE 3.8Å; E1475-R1478 IonicContact OE1-NH2 3.67Å; E1475-R1478 PolarHBondContact OE1-NH2 3.03Å; E1475-R1478 IonicContact OE2-CZ 4Å; E1475-R1478 IonicContact OE2-NE 3.54Å; E1475-R1478 PolarHBondContact OE2-NE 3.32Å; E1475-R1478 IonicContact OE2-NH2 3.85Å; E1475-R1478 PolarHBondContact OE2-NH2 3.24Å; R1478-A1482 PolarHBondContact O-N 2.93Å; R1478-A1482 VanDerWaalsContact O-N 3.13Å
1479R90Very high84.6Confident22 Ų2262.5 Ų62.58%0.08332%0.32CS..Hα-helixtrans-68.7-38.5178.2-72.8175.771.6153.7-3.8111E1475 I1476 E1477 A1482 C1483 D1489 V1492E1475-R1479 HydrophobicContact CG-CG 4.4Å; E1475-R1479 WeakPolarHBondContact O-CB 3.22Å; E1475-R1479 VanDerWaalsContact O-CG 3.26Å; E1475-R1479 WeakPolarHBondContact O-CG 3.49Å; E1475-R1479 PolarHBondContact O-N 3.41Å; E1475-R1479 WeakPolarHBondContact OE1-CD 3.43Å; I1476-R1479 PolarHBondContact O-N 3.46Å; E1477-R1479 PolarHBondContact O-N 3.43Å; R1479-A1482 PolarHBondContact O-N 3Å; R1479-C1483 PolarHBondContact O-N 3.12Å; R1479-D1489 IonicContact CZ-OD1 2.71Å; R1479-D1489 IonicContact CZ-OD2 3.5Å; R1479-D1489 IonicContact NE-OD1 3.79Å; R1479-D1489 IonicContact NE-OD2 3.26Å; R1479-D1489 PolarHBondContact NE-OD2 3.17Å; R1479-D1489 VanDerWaalsContact NH2-CG 3.31Å; R1479-D1489 IonicContact NH2-OD1 2.64Å; R1479-D1489 PolarHBondContact NH2-OD1 3.37Å; R1479-D1489 IonicContact NH2-OD2 3.85Å; R1479-D1489 PolarHBondContact NH2-OD2 3.28Å; R1479-D1489 VanDerWaalsContact NH2-OD2 3.15Å; R1479-V1492 HydrophobicContact CB-CB 4.31Å; R1479-V1492 HydrophobicContact CB-CG1 3.94Å; R1479-V1492 HydrophobicContact CB-CG2 3.87Å
1480R92.5Very high84.9Confident44 Ų4462.2 Ų62.217%0.16632%0.318CS..Hα-helixtrans-62.9-42.1173.8-76.9173167.6-169.6-9.3113.1S1416 I1476 E1477 A1482 C1483 Q1484 V1492S1416-R1480 VanDerWaalsContact CB-NH1 3.31Å; S1416-R1480 PolarHBondContact OG-NH1 2.87Å; S1416-R1480 PolarHBondContact OG-NH2 2.91Å; I1476-R1480 WeakPolarHBondContact O-CB 3.49Å; I1476-R1480 WeakPolarHBondContact O-CG 3.36Å; I1476-R1480 PolarHBondContact O-N 2.84Å; E1477-R1480 PolarHBondContact O-N 2.85Å; R1480-A1482 VanDerWaalsContact C-N 3.33Å; R1480-A1482 PolarHBondContact O-N 3.5Å; R1480-C1483 PolarHBondContact O-N 3.11Å; R1480-C1483 PolarHBondContact O-SG 3.37Å; R1480-Q1484 PolarHBondContact O-N 3.16Å; R1480-V1492 HydrophobicContact CG-CB 4.17Å; R1480-V1492 HydrophobicContact CG-CG2 4.12Å; R1480-V1492 WeakPolarHBondContact CG-O 3.2Å; R1480-V1492 PolarHBondContact NE-O 3.17Å
1481E88Confident85.6Confident145 Ų14557.8 Ų57.868%0.67829%0.294SS*.Hα-helixtrans-61.6-40.9172.8-72.4-178.1164.100111.9E1477 Q1484E1477-E1481 WeakPolarHBondContact O-CG 3.3Å; E1477-E1481 PolarHBondContact O-N 2.88Å; E1481-Q1484 WeakPolarHBondContact O-CB 3.3Å; E1481-Q1484 PolarHBondContact O-N 3.03Å
1482A84.2Confident85.9Confident62 Ų6256.5 Ų56.551%0.51229%0.29SS..Hα-helixtrans-68.7-35.7178.800000113.8R1478 R1479 R1480 Q1484 S1486R1478-A1482 PolarHBondContact O-N 2.93Å; R1478-A1482 VanDerWaalsContact O-N 3.13Å; R1479-A1482 PolarHBondContact O-N 3Å; R1480-A1482 VanDerWaalsContact C-N 3.33Å; R1480-A1482 PolarHBondContact O-N 3.5Å; A1482-Q1484 VanDerWaalsContact C-N 3.32Å; A1482-S1486 PolarHBondContact O-OG 3.48Å
1483C86Confident86.6Confident2 Ų255.3 Ų55.31%0.01428%0.283CS..Hα-helixtrans-82.1-5.517778.50000113.8R1479 R1480 N1485 S1486 N1488 D1489 R1497R1479-C1483 PolarHBondContact O-N 3.12Å; R1480-C1483 PolarHBondContact O-N 3.11Å; R1480-C1483 PolarHBondContact O-SG 3.37Å; C1483-N1485 VanDerWaalsContact C-N 3.33Å; C1483-N1485 PolarHBondContact O-N 3.41Å; C1483-S1486 PolarHBondContact O-N 2.98Å; C1483-N1488 VanDerWaalsContact CB-O 3.3Å; C1483-N1488 WeakPolarHBondContact CB-O 3.39Å; C1483-D1489 HydrophobicContact CB-CB 4.37Å; C1483-R1497 PolarHBondContact O-NE 2.97Å; C1483-R1497 PolarHBondContact O-NH2 2.86Å
1484Q83.1Confident87.1Confident95 Ų9553.2 Ų53.244%0.44428%0.278SS..THydrogen-bonded Turntrans-60-40.2-173-172.360.722.700113.2R1480 E1481 A1482 R1497R1480-Q1484 PolarHBondContact O-N 3.16Å; E1481-Q1484 WeakPolarHBondContact O-CB 3.3Å; E1481-Q1484 PolarHBondContact O-N 3.03Å; A1482-Q1484 VanDerWaalsContact C-N 3.32Å; Q1484-R1497 PolarHBondContact O-NE 2.92Å
1485N79.9Confident87.7Confident161 Ų16150 Ų5086%0.86126%0.255SS*.THydrogen-bonded Turntrans-112.410.3-177.7-62.7-15000113.3C1483C1483-N1485 VanDerWaalsContact C-N 3.33Å; C1483-N1485 PolarHBondContact O-N 3.41Å
1486S79.5Confident88.2Confident34 Ų3452.7 Ų52.724%0.23827%0.271CS..SBendtrans-129.2156.2-178.264.70000111.4A1482 C1483 N1488 R1497A1482-S1486 PolarHBondContact O-OG 3.48Å; C1483-S1486 PolarHBondContact O-N 2.98Å; S1486-N1488 PolarHBondContact O-N 2.99Å; S1486-R1497 PolarHBondContact O-NH2 3.31Å
1487L80.3Confident88.5Confident75 Ų7553.2 Ų53.239%0.39327%0.272SS..SBendtrans-89.737175.4-60.6-176.5000111.8W1493 L1559L1487-W1493 HydrophobicContact CD2-CH2 3.98Å; L1487-W1493 HydrophobicContact CD2-CZ2 4.35Å; L1487-L1559 HydrophobicContact CB-CD2 4.03Å; L1487-L1559 HydrophobicContact CD2-CD2 4.36Å
1488N82.2Confident88.9Confident103 Ų10350.2 Ų50.255%0.55126%0.258SS*.  trans-112.1162.8-176.5-63.3-29.9000110.8C1483 S1486 L1490 W1493C1483-N1488 VanDerWaalsContact CB-O 3.3Å; C1483-N1488 WeakPolarHBondContact CB-O 3.39Å; S1486-N1488 PolarHBondContact O-N 2.99Å; N1488-L1490 PolarHBondContact O-N 2.85Å; N1488-W1493 PolarHBondContact O-NE1 3.29Å
1489D86.6Confident89.1Confident37 Ų3745.4 Ų45.420%0.19824%0.241CC..  trans5450.1170.1-158.79.5000114.6R1479 C1483 L1491 V1492 Y1563R1479-D1489 IonicContact CZ-OD1 2.71Å; R1479-D1489 IonicContact CZ-OD2 3.5Å; R1479-D1489 IonicContact NE-OD1 3.79Å; R1479-D1489 IonicContact NE-OD2 3.26Å; R1479-D1489 PolarHBondContact NE-OD2 3.17Å; R1479-D1489 VanDerWaalsContact NH2-CG 3.31Å; R1479-D1489 IonicContact NH2-OD1 2.64Å; R1479-D1489 PolarHBondContact NH2-OD1 3.37Å; R1479-D1489 IonicContact NH2-OD2 3.85Å; R1479-D1489 PolarHBondContact NH2-OD2 3.28Å; R1479-D1489 VanDerWaalsContact NH2-OD2 3.15Å; C1483-D1489 HydrophobicContact CB-CB 4.37Å; D1489-L1491 PolarHBondContact O-N 3.45Å; D1489-L1491 VanDerWaalsContact O-N 3.13Å; D1489-V1492 HydrophobicContact CB-CG2 4.38Å; D1489-V1492 WeakPolarHBondContact O-CG2 3.37Å; D1489-V1492 PolarHBondContact O-N 2.82Å; D1489-Y1563 VanDerWaalsContact CA-OH 3.29Å; D1489-Y1563 WeakPolarHBondContact CA-OH 3.08Å; D1489-Y1563 PolarHBondContact N-OH 3.33Å
1490L90.6Very high89.3Confident3 Ų346.4 Ų46.42%0.01625%0.254CS..G310 helixtrans-55-33.6-176.8-177.360.5000112.9N1488 V1492 W1493 G1521 M1524 V1525 L1559 L1560 Y1563N1488-L1490 PolarHBondContact O-N 2.85Å; L1490-V1492 PolarHBondContact O-N 3.29Å; L1490-W1493 HydrophobicContact CD1-CB 4.32Å; L1490-W1493 HydrophobicContact CD1-CD2 3.46Å; L1490-W1493 VanDerWaalsContact CD1-CD2 3.46Å; L1490-W1493 HydrophobicContact CD1-CE3 3.46Å; L1490-W1493 VanDerWaalsContact CD1-CE3 3.46Å; L1490-W1493 HydrophobicContact CD1-CG 3.88Å; L1490-W1493 HydrophobicContact CD1-CH2 4.26Å; L1490-W1493 HydrophobicContact CD1-CZ2 4.27Å; L1490-W1493 HydrophobicContact CD1-CZ3 3.87Å; L1490-W1493 WeakPolarHBondContact O-CB 3.3Å; L1490-W1493 PolarHBondContact O-N 3Å; L1490-G1521 CarbonylContact O-C 3.16Å; L1490-G1521 WeakPolarHBondContact O-CA 3.01Å; L1490-M1524 HydrophobicContact CD1-CE 4.41Å; L1490-M1524 HydrophobicContact CD1-SD 4.36Å; L1490-M1524 HydrophobicContact CD2-CB 4.46Å; L1490-V1525 HydrophobicContact CB-CG2 3.79Å; L1490-V1525 HydrophobicContact CD2-CG2 3.54Å; L1490-V1525 HydrophobicContact CG-CG2 3.56Å; L1490-L1559 HydrophobicContact CD2-CB 4.19Å; L1490-L1560 HydrophobicContact CD2-CD2 3.66Å; L1490-Y1563 HydrophobicContact CB-CD2 4.49Å; L1490-Y1563 HydrophobicContact CB-CE2 3.71Å; L1490-Y1563 PolarHBondContact N-OH 2.78Å
1491L90.8Very high89.4Confident11 Ų1144.4 Ų44.46%0.05825%0.246CC..G310 helixtrans-50.5-32.8179.6177.862.6000113.8C1465 D1489 A1522 V1525 L1526C1465-L1491 PolarHBondContact SG-O 3.43Å; D1489-L1491 PolarHBondContact O-N 3.45Å; D1489-L1491 VanDerWaalsContact O-N 3.13Å; L1491-A1522 HydrophobicContact CD1-CB 4.07Å; L1491-A1522 WeakPolarHBondContact O-CB 3.31Å; L1491-A1522 PolarHBondContact O-N 3.44Å; L1491-V1525 HydrophobicContact CD1-CG1 4.41Å; L1491-L1526 HydrophobicContact CD1-CD1 3.87Å; L1491-L1526 HydrophobicContact CD1-CD2 4.04Å; L1491-L1526 HydrophobicContact CD1-CG 3.89Å
1492V91.9Very high89.7Confident2 Ų237.5 Ų37.51%0.01221%0.214CC..G310 helixtrans-95.6-8.2-177.5-550000114.4L1469 R1479 R1480 D1489 L1490 S1494L1469-V1492 HydrophobicContact CD1-CG1 4.03Å; R1479-V1492 HydrophobicContact CB-CB 4.31Å; R1479-V1492 HydrophobicContact CB-CG1 3.94Å; R1479-V1492 HydrophobicContact CB-CG2 3.87Å; R1480-V1492 HydrophobicContact CG-CB 4.17Å; R1480-V1492 HydrophobicContact CG-CG2 4.12Å; R1480-V1492 WeakPolarHBondContact CG-O 3.2Å; R1480-V1492 PolarHBondContact NE-O 3.17Å; D1489-V1492 HydrophobicContact CB-CG2 4.38Å; D1489-V1492 WeakPolarHBondContact O-CG2 3.37Å; D1489-V1492 PolarHBondContact O-N 2.82Å; L1490-V1492 PolarHBondContact O-N 3.29Å; V1492-S1494 PolarHBondContact O-N 3.32Å
1493W95.9Very high90.1Very high1 Ų139.2 Ų39.20%0.00421%0.21CC..  trans-59131.4-172.7-73.324000111.9L1487 N1488 L1490 R1497 V1498 W1501 G1521 L1559L1487-W1493 HydrophobicContact CD2-CH2 3.98Å; L1487-W1493 HydrophobicContact CD2-CZ2 4.35Å; N1488-W1493 PolarHBondContact O-NE1 3.29Å; L1490-W1493 HydrophobicContact CD1-CB 4.32Å; L1490-W1493 HydrophobicContact CD1-CD2 3.46Å; L1490-W1493 VanDerWaalsContact CD1-CD2 3.46Å; L1490-W1493 HydrophobicContact CD1-CE3 3.46Å; L1490-W1493 VanDerWaalsContact CD1-CE3 3.46Å; L1490-W1493 HydrophobicContact CD1-CG 3.88Å; L1490-W1493 HydrophobicContact CD1-CH2 4.26Å; L1490-W1493 HydrophobicContact CD1-CZ2 4.27Å; L1490-W1493 HydrophobicContact CD1-CZ3 3.87Å; L1490-W1493 WeakPolarHBondContact O-CB 3.3Å; L1490-W1493 PolarHBondContact O-N 3Å; W1493-R1497 HydrophobicContact CB-CB 4.12Å; W1493-R1497 HydrophobicContact CB-CG 3.92Å; W1493-R1497 HydrophobicContact CD2-CG 3.53Å; W1493-R1497 HydrophobicContact CE3-CG 3.82Å; W1493-R1497 HydrophobicContact CG-CB 4.32Å; W1493-R1497 HydrophobicContact CG-CG 3.57Å; W1493-V1498 HydrophobicContact CB-CG2 4.4Å; W1493-V1498 HydrophobicContact CE3-CG2 4.12Å; W1493-W1501 HydrophobicContact CH2-CB 4.15Å; W1493-W1501 HydrophobicContact CH2-CG 4.14Å; W1493-W1501 HydrophobicContact CZ3-CB 3.64Å; W1493-W1501 HydrophobicContact CZ3-CD2 4.26Å; W1493-W1501 AromaticContact CZ3-CG 3.83Å; W1493-W1501 HydrophobicContact CZ3-CG 3.83Å; W1493-G1521 PolarHBondContact O-N 2.89Å; W1493-L1559 HydrophobicContact CH2-CD1 3.74Å; W1493-L1559 HydrophobicContact CH2-CD2 4.16Å; W1493-L1559 HydrophobicContact CZ3-CD1 3.91Å
1494S94.7Very high90.4Very high16 Ų1643.4 Ų43.411%0.11224%0.239CC..  trans-73.7162.8169.260.50000111.8S1416 V1492 D1496 R1497 V1498S1416-S1494 CarbonylContact O-C 3.6Å; S1416-S1494 VanDerWaalsContact O-CA 3.23Å; S1416-S1494 WeakPolarHBondContact O-CA 3.39Å; V1492-S1494 PolarHBondContact O-N 3.32Å; S1494-D1496 VanDerWaalsContact C-N 3.25Å; S1494-D1496 PolarHBondContact O-N 3.09Å; S1494-R1497 WeakPolarHBondContact O-CA 3.23Å; S1494-R1497 WeakPolarHBondContact O-CB 3.41Å; S1494-R1497 PolarHBondContact O-N 3.37Å; S1494-R1497 PolarHBondContact OG-N 3.44Å; S1494-V1498 PolarHBondContact O-N 2.59Å
1495N96.2Very high90.7Very high7 Ų739.7 Ų39.74%0.03722%0.222CC..Hα-helixtrans-48.6-46.5166.5-179-103.6000111.6S1416 R1497 V1498 I1499 L1514 V1519S1416-N1495 PolarHBondContact O-N 2.81Å; N1495-R1497 VanDerWaalsContact C-N 3.3Å; N1495-R1497 PolarHBondContact O-N 3.37Å; N1495-V1498 PolarHBondContact O-N 3.18Å; N1495-V1498 VanDerWaalsContact O-N 3.17Å; N1495-I1499 VanDerWaalsContact O-CG1 3.3Å; N1495-I1499 WeakPolarHBondContact O-CG1 3.27Å; N1495-I1499 PolarHBondContact O-N 2.8Å; N1495-I1499 WeakPolarHBondContact OD1-CD1 3.48Å; N1495-L1514 PolarHBondContact ND2-O 3.47Å; N1495-V1519 PolarHBondContact ND2-O 3.45Å
1496D95.1Very high91.1Very high104 Ų10433.5 Ų33.556%0.55620%0.196SC*.Hα-helixtrans-58-38.1174.7-53.8-75.9000113.5S1494 I1499 A1500S1494-D1496 VanDerWaalsContact C-N 3.25Å; S1494-D1496 PolarHBondContact O-N 3.09Å; D1496-I1499 PolarHBondContact O-N 3.36Å; D1496-A1500 WeakPolarHBondContact O-CB 3.45Å; D1496-A1500 PolarHBondContact O-N 3.42Å
1497R94.3Very high91.6Very high17 Ų1731.9 Ų31.96%0.06419%0.185CC..Hα-helixtrans-71.3-35.2179.1179.463.8-170.192.3-3.8111.9C1483 Q1484 S1486 W1493 S1494 N1495 W1501C1483-R1497 PolarHBondContact O-NE 2.97Å; C1483-R1497 PolarHBondContact O-NH2 2.86Å; Q1484-R1497 PolarHBondContact O-NE 2.92Å; S1486-R1497 PolarHBondContact O-NH2 3.31Å; W1493-R1497 HydrophobicContact CB-CB 4.12Å; W1493-R1497 HydrophobicContact CB-CG 3.92Å; W1493-R1497 HydrophobicContact CD2-CG 3.53Å; W1493-R1497 HydrophobicContact CE3-CG 3.82Å; W1493-R1497 HydrophobicContact CG-CB 4.32Å; W1493-R1497 HydrophobicContact CG-CG 3.57Å; S1494-R1497 WeakPolarHBondContact O-CA 3.23Å; S1494-R1497 WeakPolarHBondContact O-CB 3.41Å; S1494-R1497 PolarHBondContact O-N 3.37Å; S1494-R1497 PolarHBondContact OG-N 3.44Å; N1495-R1497 VanDerWaalsContact C-N 3.3Å; N1495-R1497 PolarHBondContact O-N 3.37Å; R1497-W1501 PolarHBondContact O-N 3.12Å
1498V95.3Very high92.1Very high0 Ų032.8 Ų32.80%019%0.19CC..Hα-helixtrans-66.9-45.8170.9179.30000110.2W1493 S1494 N1495 A1500 W1501 L1502 L1514 M1524 F1535W1493-V1498 HydrophobicContact CB-CG2 4.4Å; W1493-V1498 HydrophobicContact CE3-CG2 4.12Å; S1494-V1498 PolarHBondContact O-N 2.59Å; N1495-V1498 PolarHBondContact O-N 3.18Å; N1495-V1498 VanDerWaalsContact O-N 3.17Å; V1498-A1500 VanDerWaalsContact C-N 3.31Å; V1498-A1500 PolarHBondContact O-N 2.78Å; V1498-W1501 HydrophobicContact CG1-CE3 4.33Å; V1498-W1501 PolarHBondContact O-N 3.25Å; V1498-W1501 VanDerWaalsContact O-N 3.13Å; V1498-L1502 HydrophobicContact CG1-CD1 4.44Å; V1498-L1502 WeakPolarHBondContact O-CG 3.4Å; V1498-L1502 PolarHBondContact O-N 3.39Å; V1498-L1514 HydrophobicContact CB-CD1 4.47Å; V1498-L1514 HydrophobicContact CG1-CD1 3.68Å; V1498-M1524 HydrophobicContact CG1-SD 4.19Å; V1498-M1524 HydrophobicContact CG2-SD 3.79Å; V1498-F1535 HydrophobicContact CG1-CZ 3.83Å
1499I94.8Very high92.4Very high13 Ų1333 Ų337%0.06719%0.188CC..Hα-helixtrans-58.4-42.2174.6-68.9173.7000111.1N1495 D1496 L1502 K1503 A1511 L1514 I1515N1495-I1499 VanDerWaalsContact O-CG1 3.3Å; N1495-I1499 WeakPolarHBondContact O-CG1 3.27Å; N1495-I1499 PolarHBondContact O-N 2.8Å; N1495-I1499 WeakPolarHBondContact OD1-CD1 3.48Å; D1496-I1499 PolarHBondContact O-N 3.36Å; I1499-L1502 PolarHBondContact O-N 2.82Å; I1499-K1503 HydrophobicContact CG2-CD 4.27Å; I1499-K1503 VanDerWaalsContact O-CG 3.28Å; I1499-K1503 WeakPolarHBondContact O-CG 3.46Å; I1499-K1503 PolarHBondContact O-N 3.13Å; I1499-K1503 VanDerWaalsContact O-N 3.08Å; I1499-A1511 WeakPolarHBondContact CG1-O 3.47Å; I1499-A1511 HydrophobicContact CG2-CB 4.21Å; I1499-L1514 HydrophobicContact CD1-CB 4.08Å; I1499-L1514 HydrophobicContact CG1-CB 3.89Å; I1499-L1514 HydrophobicContact CG1-CD1 4.26Å; I1499-I1515 HydrophobicContact CD1-CG1 3.94Å
1500A94.1Very high92.6Very high43 Ų4332.6 Ų32.636%0.35518%0.184SC..Hα-helixtrans-65.7-37.4175.900000112.7D1496 V1498 S1504D1496-A1500 WeakPolarHBondContact O-CB 3.45Å; D1496-A1500 PolarHBondContact O-N 3.42Å; V1498-A1500 VanDerWaalsContact C-N 3.31Å; V1498-A1500 PolarHBondContact O-N 2.78Å; A1500-S1504 PolarHBondContact O-N 2.94Å
1501W94Very high92.7Very high1 Ų132.5 Ų32.50%0.00418%0.183CC..Hα-helixtrans-68.2-44.8173.8164.674000112.3W1493 R1497 V1498 K1503 S1504 I1505 M1524 F1535 L1552 E1555 L1556 L1559W1493-W1501 HydrophobicContact CH2-CB 4.15Å; W1493-W1501 HydrophobicContact CH2-CG 4.14Å; W1493-W1501 HydrophobicContact CZ3-CB 3.64Å; W1493-W1501 HydrophobicContact CZ3-CD2 4.26Å; W1493-W1501 AromaticContact CZ3-CG 3.83Å; W1493-W1501 HydrophobicContact CZ3-CG 3.83Å; R1497-W1501 PolarHBondContact O-N 3.12Å; V1498-W1501 HydrophobicContact CG1-CE3 4.33Å; V1498-W1501 PolarHBondContact O-N 3.25Å; V1498-W1501 VanDerWaalsContact O-N 3.13Å; W1501-K1503 VanDerWaalsContact C-N 3.25Å; W1501-K1503 PolarHBondContact O-N 3.44Å; W1501-S1504 WeakPolarHBondContact CA-OG 3.39Å; W1501-S1504 CarbonylContact O-C 3.6Å; W1501-S1504 WeakPolarHBondContact O-CA 3.42Å; W1501-S1504 WeakPolarHBondContact O-CB 3.45Å; W1501-S1504 PolarHBondContact O-N 3.24Å; W1501-S1504 PolarHBondContact O-OG 3.42Å; W1501-I1505 HydrophobicContact CH2-CD1 4.09Å; W1501-I1505 HydrophobicContact CZ2-CD1 3.9Å; W1501-I1505 PolarHBondContact O-N 2.85Å; W1501-M1524 HydrophobicContact CZ3-CE 4.47Å; W1501-F1535 HydrophobicContact CH2-CE1 4.28Å; W1501-F1535 AromaticContact CZ3-CE1 3.8Å; W1501-F1535 HydrophobicContact CZ3-CE1 3.8Å; W1501-F1535 HydrophobicContact CZ3-CZ 4.2Å; W1501-L1552 HydrophobicContact CH2-CD1 4.19Å; W1501-L1552 HydrophobicContact CZ3-CD1 4.41Å; W1501-E1555 HydrophobicContact CZ2-CB 3.81Å; W1501-L1556 HydrophobicContact CH2-CB 4.43Å; W1501-L1559 HydrophobicContact CD2-CD1 3.87Å; W1501-L1559 HydrophobicContact CE3-CD1 4.46Å; W1501-L1559 HydrophobicContact CG-CD1 4.32Å; W1501-L1559 HydrophobicContact CH2-CD1 4.19Å; W1501-L1559 HydrophobicContact CZ2-CD1 3.54Å; W1501-L1559 HydrophobicContact CZ2-CG 4.24Å
1502L94.4Very high92.7Very high0 Ų037.9 Ų37.90%021%0.206CC..Hα-helixtrans-56.2-41.9175.5-74.9175.1000111.8V1498 I1499 I1505 G1506 L1507 A1511 L1514 F1535 L1539 L1552V1498-L1502 HydrophobicContact CG1-CD1 4.44Å; V1498-L1502 WeakPolarHBondContact O-CG 3.4Å; V1498-L1502 PolarHBondContact O-N 3.39Å; I1499-L1502 PolarHBondContact O-N 2.82Å; L1502-I1505 HydrophobicContact CD2-CD1 4.28Å; L1502-I1505 VanDerWaalsContact O-CG1 3.3Å; L1502-I1505 WeakPolarHBondContact O-CG1 3.41Å; L1502-I1505 PolarHBondContact O-N 2.88Å; L1502-G1506 PolarHBondContact O-N 3.47Å; L1502-L1507 HydrophobicContact CB-CB 4.44Å; L1502-L1507 HydrophobicContact CD2-CB 4.49Å; L1502-L1507 HydrophobicContact CD2-CD1 3.89Å; L1502-L1507 PolarHBondContact O-N 3.44Å; L1502-A1511 HydrophobicContact CB-CB 3.75Å; L1502-A1511 HydrophobicContact CD1-CB 4.21Å; L1502-L1514 HydrophobicContact CD1-CD1 3.49Å; L1502-L1514 VanDerWaalsContact CD1-CD1 3.49Å; L1502-L1514 HydrophobicContact CD1-CG 4.06Å; L1502-F1535 HydrophobicContact CD1-CZ 4.25Å; L1502-F1535 HydrophobicContact CD2-CZ 4.3Å; L1502-L1539 HydrophobicContact CD1-CD1 4.16Å; L1502-L1539 HydrophobicContact CD1-CD2 3.61Å; L1502-L1539 HydrophobicContact CD1-CG 4.49Å; L1502-L1539 HydrophobicContact CD2-CD1 4.13Å; L1502-L1552 HydrophobicContact CD2-CD1 3.62Å
1503K93.4Very high92.7Very high99 Ų9939.8 Ų39.843%0.4322%0.216SC..Hα-helixtrans-61.3-42.7172-70.9172.9178.7177.90112.2I1499 W1501 I1505 G1506 N1508 A1511I1499-K1503 HydrophobicContact CG2-CD 4.27Å; I1499-K1503 VanDerWaalsContact O-CG 3.28Å; I1499-K1503 WeakPolarHBondContact O-CG 3.46Å; I1499-K1503 PolarHBondContact O-N 3.13Å; I1499-K1503 VanDerWaalsContact O-N 3.08Å; W1501-K1503 VanDerWaalsContact C-N 3.25Å; W1501-K1503 PolarHBondContact O-N 3.44Å; K1503-I1505 VanDerWaalsContact C-N 3.34Å; K1503-I1505 PolarHBondContact O-N 2.91Å; K1503-G1506 PolarHBondContact O-N 3.39Å; K1503-N1508 WeakPolarHBondContact CA-OD1 3.33Å; K1503-N1508 WeakPolarHBondContact CB-OD1 3.45Å; K1503-N1508 VanDerWaalsContact CG-OD1 3.31Å; K1503-N1508 WeakPolarHBondContact CG-OD1 3.05Å; K1503-N1508 PolarHBondContact O-OD1 3.06Å; K1503-A1511 HydrophobicContact CG-CB 3.94Å
1504S90.4Very high92.6Very high89 Ų8939.7 Ų39.762%0.62222%0.216SC*.Hα-helixtrans-66.1-29.4178.274.70000114.4A1500 W1501 G1506A1500-S1504 PolarHBondContact O-N 2.94Å; W1501-S1504 WeakPolarHBondContact CA-OG 3.39Å; W1501-S1504 CarbonylContact O-C 3.6Å; W1501-S1504 WeakPolarHBondContact O-CA 3.42Å; W1501-S1504 WeakPolarHBondContact O-CB 3.45Å; W1501-S1504 PolarHBondContact O-N 3.24Å; W1501-S1504 PolarHBondContact O-OG 3.42Å; S1504-G1506 VanDerWaalsContact C-N 3.3Å
1505I90.1Very high92.5Very high18 Ų1844.1 Ų44.19%0.09224%0.237CC..THydrogen-bonded Turntrans-86.70.1172.668.2169.7000112.9W1501 L1502 K1503 L1507 K1551 E1555W1501-I1505 HydrophobicContact CH2-CD1 4.09Å; W1501-I1505 HydrophobicContact CZ2-CD1 3.9Å; W1501-I1505 PolarHBondContact O-N 2.85Å; L1502-I1505 HydrophobicContact CD2-CD1 4.28Å; L1502-I1505 VanDerWaalsContact O-CG1 3.3Å; L1502-I1505 WeakPolarHBondContact O-CG1 3.41Å; L1502-I1505 PolarHBondContact O-N 2.88Å; K1503-I1505 VanDerWaalsContact C-N 3.34Å; K1503-I1505 PolarHBondContact O-N 2.91Å; I1505-L1507 HydrophobicContact CD1-CD1 3.89Å; I1505-L1507 HydrophobicContact CD1-CG 4.43Å; I1505-L1507 HydrophobicContact CG1-CD1 4.3Å; I1505-L1507 HydrophobicContact CG1-CG 4.33Å; I1505-K1551 WeakPolarHBondContact O-CE 3.44Å; I1505-K1551 PolarHBondContact O-NZ 3.08Å; I1505-E1555 HydrophobicContact CB-CG 4.33Å; I1505-E1555 HydrophobicContact CD1-CB 3.9Å; I1505-E1555 HydrophobicContact CD1-CG 4.31Å; I1505-E1555 HydrophobicContact CG2-CB 4.25Å; I1505-E1555 HydrophobicContact CG2-CG 3.86Å; I1505-E1555 WeakPolarHBondContact CG2-OE2 3.29Å
1506G88.4Confident92.3Very high30 Ų3046.3 Ų46.331%0.30925%0.249SC..THydrogen-bonded Turntrans99.3-3.417300000116L1502 K1503 S1504 N1508L1502-G1506 PolarHBondContact O-N 3.47Å; K1503-G1506 PolarHBondContact O-N 3.39Å; S1504-G1506 VanDerWaalsContact C-N 3.3Å; G1506-N1508 PolarHBondContact O-N 2.99Å
1507L90.5Very high92.2Very high0 Ų042 Ų420%023%0.226CC..  trans-7844.2178.7-62.6174.9000112.3L1502 I1505 E1509 Y1510 A1511 M1548 L1552L1502-L1507 HydrophobicContact CB-CB 4.44Å; L1502-L1507 HydrophobicContact CD2-CB 4.49Å; L1502-L1507 HydrophobicContact CD2-CD1 3.89Å; L1502-L1507 PolarHBondContact O-N 3.44Å; I1505-L1507 HydrophobicContact CD1-CD1 3.89Å; I1505-L1507 HydrophobicContact CD1-CG 4.43Å; I1505-L1507 HydrophobicContact CG1-CD1 4.3Å; I1505-L1507 HydrophobicContact CG1-CG 4.33Å; L1507-E1509 VanDerWaalsContact C-N 3.34Å; L1507-E1509 PolarHBondContact O-N 2.92Å; L1507-Y1510 HydrophobicContact CD2-CD2 4.1Å; L1507-Y1510 PolarHBondContact O-N 2.86Å; L1507-A1511 WeakPolarHBondContact O-CB 3.2Å; L1507-A1511 PolarHBondContact O-N 3.48Å; L1507-M1548 HydrophobicContact CD2-CB 3.74Å; L1507-M1548 HydrophobicContact CD2-CE 4.28Å; L1507-M1548 HydrophobicContact CD2-CG 4Å; L1507-M1548 HydrophobicContact CD2-SD 3.43Å; L1507-M1548 WeakPolarHBondContact CD2-SD 3.36Å; L1507-L1552 HydrophobicContact CD1-CB 3.95Å; L1507-L1552 HydrophobicContact CD1-CD1 3.81Å; L1507-L1552 HydrophobicContact CD1-CG 4.42Å
1508N89.7Confident92.3Very high95 Ų9541.1 Ų41.151%0.50822%0.223SC..THydrogen-bonded Turntrans-59.5-39.7-170.7-76.8-59.7000113.5K1503 G1506K1503-N1508 WeakPolarHBondContact CA-OD1 3.33Å; K1503-N1508 WeakPolarHBondContact CB-OD1 3.45Å; K1503-N1508 VanDerWaalsContact CG-OD1 3.31Å; K1503-N1508 WeakPolarHBondContact CG-OD1 3.05Å; K1503-N1508 PolarHBondContact O-OD1 3.06Å; G1506-N1508 PolarHBondContact O-N 2.99Å
1509E88.6Confident92.3Very high106 Ų10641.1 Ų41.150%0.49522%0.223SC..THydrogen-bonded Turntrans-75.8-33.4-175.767.7-151.6126.200113.5L1507 K1512L1507-E1509 VanDerWaalsContact C-N 3.34Å; L1507-E1509 PolarHBondContact O-N 2.92Å; E1509-K1512 VanDerWaalsContact O-CD 3.32Å; E1509-K1512 WeakPolarHBondContact O-CD 3.43Å; E1509-K1512 VanDerWaalsContact O-CE 3.24Å; E1509-K1512 WeakPolarHBondContact O-CE 3.28Å; E1509-K1512 WeakPolarHBondContact O-CG 3.3Å; E1509-K1512 PolarHBondContact O-NZ 3.16Å
1510Y91.3Very high92.3Very high30 Ų3040.6 Ų40.612%0.11822%0.221CC..THydrogen-bonded Turntrans-84.2-30.8178.7-59.8-67.9000112.3L1507 K1512 N1513 I1541 P1542 D1545 M1548L1507-Y1510 HydrophobicContact CD2-CD2 4.1Å; L1507-Y1510 PolarHBondContact O-N 2.86Å; Y1510-K1512 PolarHBondContact O-N 3.33Å; Y1510-N1513 VanDerWaalsContact O-CB 3.24Å; Y1510-N1513 WeakPolarHBondContact O-CB 3.11Å; Y1510-N1513 PolarHBondContact O-N 3.27Å; Y1510-I1541 HydrophobicContact CD1-CG1 3.84Å; Y1510-I1541 HydrophobicContact CD2-CD1 4.42Å; Y1510-I1541 HydrophobicContact CD2-CG1 3.98Å; Y1510-I1541 HydrophobicContact CE1-CB 4.33Å; Y1510-I1541 HydrophobicContact CE1-CG1 4.08Å; Y1510-I1541 HydrophobicContact CE1-CG2 4.48Å; Y1510-I1541 HydrophobicContact CE2-CG1 4.19Å; Y1510-I1541 HydrophobicContact CE2-CG2 4.34Å; Y1510-I1541 HydrophobicContact CG-CG1 3.79Å; Y1510-P1542 WeakPolarHBondContact OH-CD 3.43Å; Y1510-D1545 PolarHBondContact OH-OD2 3.43Å; Y1510-M1548 HydrophobicContact CE2-CB 4.37Å; Y1510-M1548 HydrophobicContact CE2-CG 4.21Å
1511A92.7Very high92.4Very high0 Ų038.6 Ų38.60%020%0.204CC..G310 helixtrans-56.1-26.1-175.900000114.4I1499 L1502 K1503 L1507 N1513 L1514I1499-A1511 WeakPolarHBondContact CG1-O 3.47Å; I1499-A1511 HydrophobicContact CG2-CB 4.21Å; L1502-A1511 HydrophobicContact CB-CB 3.75Å; L1502-A1511 HydrophobicContact CD1-CB 4.21Å; K1503-A1511 HydrophobicContact CG-CB 3.94Å; L1507-A1511 WeakPolarHBondContact O-CB 3.2Å; L1507-A1511 PolarHBondContact O-N 3.48Å; A1511-N1513 PolarHBondContact O-N 2.88Å; A1511-L1514 PolarHBondContact O-N 3.26Å
1512K91.2Very high92.4Very high125 Ų12538.6 Ų38.654%0.54320%0.204SC..G310 helixtrans-64.6-25.1174.575.4-163.9-177.6-128.80113.3E1509 Y1510 L1514 I1515E1509-K1512 VanDerWaalsContact O-CD 3.32Å; E1509-K1512 WeakPolarHBondContact O-CD 3.43Å; E1509-K1512 VanDerWaalsContact O-CE 3.24Å; E1509-K1512 WeakPolarHBondContact O-CE 3.28Å; E1509-K1512 WeakPolarHBondContact O-CG 3.3Å; E1509-K1512 PolarHBondContact O-NZ 3.16Å; Y1510-K1512 PolarHBondContact O-N 3.33Å; K1512-L1514 PolarHBondContact O-N 3.08Å; K1512-I1515 WeakPolarHBondContact O-CG1 3.17Å; K1512-I1515 PolarHBondContact O-N 3.42Å
1513N92.4Very high92.4Very high41 Ų4138.6 Ų38.622%0.21920%0.204CC..G310 helixtrans-74.4-10.2-175.5-59.3-13.2000112.5Y1510 A1511 I1515 L1539Y1510-N1513 VanDerWaalsContact O-CB 3.24Å; Y1510-N1513 WeakPolarHBondContact O-CB 3.11Å; Y1510-N1513 PolarHBondContact O-N 3.27Å; A1511-N1513 PolarHBondContact O-N 2.88Å; N1513-I1515 VanDerWaalsContact C-N 3.33Å; N1513-L1539 PolarHBondContact ND2-O 3Å
1514L93.5Very high92.4Very high0 Ų033.9 Ų33.90%018%0.183CC..G310 helixtrans-79.7-11.2172.7-64-165000114.5N1495 V1498 I1499 L1502 A1511 K1512 D1516 S1517 V1519 F1535 I1538 L1539N1495-L1514 PolarHBondContact ND2-O 3.47Å; V1498-L1514 HydrophobicContact CB-CD1 4.47Å; V1498-L1514 HydrophobicContact CG1-CD1 3.68Å; I1499-L1514 HydrophobicContact CD1-CB 4.08Å; I1499-L1514 HydrophobicContact CG1-CB 3.89Å; I1499-L1514 HydrophobicContact CG1-CD1 4.26Å; L1502-L1514 HydrophobicContact CD1-CD1 3.49Å; L1502-L1514 VanDerWaalsContact CD1-CD1 3.49Å; L1502-L1514 HydrophobicContact CD1-CG 4.06Å; A1511-L1514 PolarHBondContact O-N 3.26Å; K1512-L1514 PolarHBondContact O-N 3.08Å; L1514-D1516 PolarHBondContact O-N 3.18Å; L1514-S1517 WeakPolarHBondContact CA-OG 3.48Å; L1514-S1517 WeakPolarHBondContact O-CB 3.3Å; L1514-S1517 PolarHBondContact O-N 3.48Å; L1514-S1517 PolarHBondContact O-OG 3.49Å; L1514-V1519 HydrophobicContact CD1-CB 4.43Å; L1514-V1519 HydrophobicContact CD1-CG1 4.46Å; L1514-V1519 HydrophobicContact CD2-CB 4.26Å; L1514-V1519 HydrophobicContact CD2-CG2 4.25Å; L1514-F1535 HydrophobicContact CD1-CE2 3.81Å; L1514-F1535 HydrophobicContact CD1-CZ 4.18Å; L1514-F1535 HydrophobicContact CD2-CD2 4.49Å; L1514-F1535 HydrophobicContact CD2-CE2 3.9Å; L1514-F1535 HydrophobicContact CG-CE2 4.45Å; L1514-I1538 HydrophobicContact CD2-CG2 3.95Å; L1514-L1539 HydrophobicContact CD1-CD2 4.32Å; L1514-L1539 HydrophobicContact CD2-CD2 3.55Å; L1514-L1539 HydrophobicContact CD2-CG 3.91Å; L1514-L1539 HydrophobicContact CG-CD2 3.65Å; L1514-L1539 HydrophobicContact CG-CG 4.49Å
1515I92.2Very high92.4Very high109 Ų10930.7 Ų30.756%0.55916%0.16SC*.THydrogen-bonded Turntrans-63.4127.4174.2-60.1171.4000107.6I1499 K1512 N1513 S1517I1499-I1515 HydrophobicContact CD1-CG1 3.94Å; K1512-I1515 WeakPolarHBondContact O-CG1 3.17Å; K1512-I1515 PolarHBondContact O-N 3.42Å; N1513-I1515 VanDerWaalsContact C-N 3.33Å; I1515-S1517 PolarHBondContact O-N 3.37Å
1516D92.4Very high92.3Very high52 Ų5230.5 Ų30.528%0.27816%0.159SC..THydrogen-bonded Turntrans62.118.6-176.1-79.1-30.9000116.7G1418 A1420 R1421 H1455 L1514G1418-D1516 CarbonylContact O-C 3.54Å; G1418-D1516 WeakPolarHBondContact O-CA 3.45Å; A1420-D1516 WeakPolarHBondContact CA-OD1 3.36Å; A1420-D1516 WeakPolarHBondContact CB-OD1 3.34Å; A1420-D1516 PolarHBondContact N-OD1 2.77Å; R1421-D1516 HydrophobicContact CB-CB 4.38Å; R1421-D1516 PolarHBondContact N-OD1 3.18Å; H1455-D1516 PolarHBondContact NE2-O 3.11Å; L1514-D1516 PolarHBondContact O-N 3.18Å
1517S92.5Very high92.3Very high13 Ų1329.3 Ų29.39%0.09115%0.146CC..SBendtrans-88-16.8176.969.60000115.9G1418 F1454 H1455 L1514 I1515 V1519G1418-S1517 PolarHBondContact O-N 3.22Å; F1454-S1517 VanDerWaalsContact CE1-O 3.26Å; F1454-S1517 WeakPolarHBondContact CE1-O 3.32Å; H1455-S1517 PolarHBondContact CD2-O 2.69Å; H1455-S1517 PolarHBondContact NE2-O 3.21Å; L1514-S1517 WeakPolarHBondContact CA-OG 3.48Å; L1514-S1517 WeakPolarHBondContact O-CB 3.3Å; L1514-S1517 PolarHBondContact O-N 3.48Å; L1514-S1517 PolarHBondContact O-OG 3.49Å; I1515-S1517 PolarHBondContact O-N 3.37Å; S1517-V1519 VanDerWaalsContact C-N 3.32Å; S1517-V1519 PolarHBondContact O-N 3.19Å; S1517-V1519 PolarHBondContact OG-N 3.13Å
1518G95.3Very high91.8Very high0 Ų031.9 Ų31.90%016%0.163CC..  trans77.6-1.1-170.100000116.7L1417 G1418 S1458 H1520L1417-G1518 CarbonylContact O-C 3.53Å; L1417-G1518 VanDerWaalsContact O-CA 3.27Å; L1417-G1518 WeakPolarHBondContact O-CA 3.39Å; G1418-G1518 WeakPolarHBondContact O-CA 3.42Å; G1418-G1518 PolarHBondContact O-N 3.41Å; S1458-G1518 WeakPolarHBondContact CB-O 3.48Å; S1458-G1518 WeakPolarHBondContact OG-CA 3.46Å; S1458-G1518 PolarHBondContact OG-O 3.27Å; G1518-H1520 PolarHBondContact O-N 3.36Å; G1518-H1520 PolarHBondContact O-ND1 2.96Å
1519V96.2Very high91.4Very high0 Ų032.4 Ų32.40%017%0.166CC..  trans-77.3126.8179.1-176.80000111.6F1454 N1495 L1514 S1517 L1523 M1524 F1530 F1535 I1538F1454-V1519 HydrophobicContact CE1-CG2 4.16Å; F1454-V1519 HydrophobicContact CZ-CG2 4.17Å; N1495-V1519 PolarHBondContact ND2-O 3.45Å; L1514-V1519 HydrophobicContact CD1-CB 4.43Å; L1514-V1519 HydrophobicContact CD1-CG1 4.46Å; L1514-V1519 HydrophobicContact CD2-CB 4.26Å; L1514-V1519 HydrophobicContact CD2-CG2 4.25Å; S1517-V1519 VanDerWaalsContact C-N 3.32Å; S1517-V1519 PolarHBondContact O-N 3.19Å; S1517-V1519 PolarHBondContact OG-N 3.13Å; V1519-L1523 HydrophobicContact CG2-CD2 4.3Å; V1519-M1524 HydrophobicContact CG1-CG 4.34Å; V1519-M1524 HydrophobicContact CG1-SD 4.44Å; V1519-F1530 HydrophobicContact CG1-CE2 4.47Å; V1519-F1530 HydrophobicContact CG1-CZ 3.94Å; V1519-F1530 HydrophobicContact CG2-CE2 4.24Å; V1519-F1530 HydrophobicContact CG2-CZ 4.35Å; V1519-F1535 HydrophobicContact CG1-CD2 4.28Å; V1519-F1535 HydrophobicContact CG1-CE2 3.73Å; V1519-F1535 HydrophobicContact CG1-CZ 4.24Å; V1519-I1538 HydrophobicContact CG2-CD1 3.93Å; V1519-I1538 HydrophobicContact CG2-CG2 3.82Å
1520H95.8Very high91.5Very high2 Ų227.6 Ų27.61%0.00914%0.143CC..  trans-154.9168178.263.1-78.2000109.8L1417 S1458 G1518 A1522 L1523 M1524L1417-H1520 PolarHBondContact O-ND1 2.67Å; S1458-H1520 PolarHBondContact O-CE1 3.06Å; S1458-H1520 VanDerWaalsContact O-CE1 3.3Å; S1458-H1520 PolarHBondContact OG-CE1 3.06Å; S1458-H1520 PolarHBondContact OG-ND1 2.93Å; G1518-H1520 PolarHBondContact O-N 3.36Å; G1518-H1520 PolarHBondContact O-ND1 2.96Å; H1520-A1522 VanDerWaalsContact C-N 3.34Å; H1520-A1522 PolarHBondContact O-N 3.23Å; H1520-L1523 PolarHBondContact NE2-N 3.08Å; H1520-L1523 WeakPolarHBondContact O-CB 3.12Å; H1520-L1523 PolarHBondContact O-N 2.88Å; H1520-L1523 VanDerWaalsContact O-N 3.14Å; H1520-M1524 WeakPolarHBondContact O-CG 3.4Å; H1520-M1524 PolarHBondContact O-N 3.4Å
1521G94.4Very high91.3Very high0 Ų028.7 Ų28.70%015%0.151CC..Hα-helixtrans-62.7-32.7-168.700000115.8L1490 W1493 M1524 V1525L1490-G1521 CarbonylContact O-C 3.16Å; L1490-G1521 WeakPolarHBondContact O-CA 3.01Å; W1493-G1521 PolarHBondContact O-N 2.89Å; G1521-M1524 PolarHBondContact O-N 2.9Å; G1521-V1525 WeakPolarHBondContact O-CG2 3.38Å; G1521-V1525 PolarHBondContact O-N 3.48Å; G1521-V1525 VanDerWaalsContact O-N 3.11Å
1522A94.3Very high91.2Very high1 Ų129.1 Ų29.11%0.00816%0.155CC..Hα-helixtrans-68.8-36176.300000113C1465 L1491 H1520 L1526C1465-A1522 HydrophobicContact CB-CB 3.6Å; L1491-A1522 HydrophobicContact CD1-CB 4.07Å; L1491-A1522 WeakPolarHBondContact O-CB 3.31Å; L1491-A1522 PolarHBondContact O-N 3.44Å; H1520-A1522 VanDerWaalsContact C-N 3.34Å; H1520-A1522 PolarHBondContact O-N 3.23Å; A1522-L1526 HydrophobicContact CB-CD1 4.25Å; A1522-L1526 WeakPolarHBondContact O-CB 3.45Å; A1522-L1526 VanDerWaalsContact O-CG 3.22Å; A1522-L1526 WeakPolarHBondContact O-CG 3.41Å; A1522-L1526 PolarHBondContact O-N 2.95Å
1523L95.5Very high91.2Very high0 Ų027.6 Ų27.60%015%0.152CC..Hα-helixtrans-57.8-55.1169.2178.673.2000109.8F1454 Y1461 V1519 H1520 V1525 L1526 D1527 F1530F1454-L1523 HydrophobicContact CE1-CD2 4.4Å; F1454-L1523 HydrophobicContact CE2-CD2 4.14Å; F1454-L1523 HydrophobicContact CZ-CD2 3.6Å; Y1461-L1523 HydrophobicContact CD2-CD1 3.62Å; Y1461-L1523 HydrophobicContact CE2-CD1 4.2Å; V1519-L1523 HydrophobicContact CG2-CD2 4.3Å; H1520-L1523 PolarHBondContact NE2-N 3.08Å; H1520-L1523 WeakPolarHBondContact O-CB 3.12Å; H1520-L1523 PolarHBondContact O-N 2.88Å; H1520-L1523 VanDerWaalsContact O-N 3.14Å; L1523-V1525 PolarHBondContact O-N 3.36Å; L1523-V1525 VanDerWaalsContact O-N 3.1Å; L1523-L1526 PolarHBondContact O-N 3.26Å; L1523-D1527 HydrophobicContact CD1-CB 3.84Å; L1523-D1527 WeakPolarHBondContact CD1-OD2 3.43Å; L1523-D1527 HydrophobicContact CG-CB 4.4Å; L1523-D1527 WeakPolarHBondContact O-CB 3.44Å; L1523-D1527 PolarHBondContact O-N 3.23Å; L1523-F1530 HydrophobicContact CD2-CD2 3.78Å; L1523-F1530 HydrophobicContact CD2-CE2 3.71Å; L1523-F1530 HydrophobicContact CD2-CZ 4.49Å; L1523-F1530 HydrophobicContact CG-CD2 3.96Å; L1523-F1530 HydrophobicContact CG-CE2 4.32Å; L1523-F1530 HydrophobicContact CG-CG 4.38Å
1524M93Very high91.1Very high0 Ų027.7 Ų27.70%016%0.156CC..Hα-helixtrans-55.7-34.4-176.5-58.2165.571.500113.4L1490 V1498 W1501 V1519 H1520 G1521 F1530 F1535 L1556 L1560L1490-M1524 HydrophobicContact CD1-CE 4.41Å; L1490-M1524 HydrophobicContact CD1-SD 4.36Å; L1490-M1524 HydrophobicContact CD2-CB 4.46Å; V1498-M1524 HydrophobicContact CG1-SD 4.19Å; V1498-M1524 HydrophobicContact CG2-SD 3.79Å; W1501-M1524 HydrophobicContact CZ3-CE 4.47Å; V1519-M1524 HydrophobicContact CG1-CG 4.34Å; V1519-M1524 HydrophobicContact CG1-SD 4.44Å; H1520-M1524 WeakPolarHBondContact O-CG 3.4Å; H1520-M1524 PolarHBondContact O-N 3.4Å; G1521-M1524 PolarHBondContact O-N 2.9Å; M1524-F1530 HydrophobicContact CB-CD1 4.37Å; M1524-F1530 HydrophobicContact CB-CE1 4.35Å; M1524-F1530 HydrophobicContact CG-CD1 4.22Å; M1524-F1530 HydrophobicContact CG-CE1 3.75Å; M1524-F1530 HydrophobicContact CG-CZ 4.32Å; M1524-F1535 HydrophobicContact CE-CE1 3.93Å; M1524-F1535 HydrophobicContact CE-CZ 4.36Å; M1524-L1556 HydrophobicContact CE-CD1 3.42Å; M1524-L1556 VanDerWaalsContact CE-CD1 3.42Å; M1524-L1560 HydrophobicContact CB-CD2 4.29Å; M1524-L1560 WeakPolarHBondContact O-CD2 3.49Å
1525V89.4Confident91.2Very high23 Ų2327.7 Ų27.714%0.13916%0.156CC..Hα-helixtrans-90.6-34.3-177.1171.70000113.6L1490 L1491 G1521 L1523 L1560 Y1563L1490-V1525 HydrophobicContact CB-CG2 3.79Å; L1490-V1525 HydrophobicContact CD2-CG2 3.54Å; L1490-V1525 HydrophobicContact CG-CG2 3.56Å; L1491-V1525 HydrophobicContact CD1-CG1 4.41Å; G1521-V1525 WeakPolarHBondContact O-CG2 3.38Å; G1521-V1525 PolarHBondContact O-N 3.48Å; G1521-V1525 VanDerWaalsContact O-N 3.11Å; L1523-V1525 PolarHBondContact O-N 3.36Å; L1523-V1525 VanDerWaalsContact O-N 3.1Å; V1525-L1560 HydrophobicContact CG2-CD2 4.34Å; V1525-Y1563 HydrophobicContact CG1-CD1 3.64Å; V1525-Y1563 HydrophobicContact CG1-CE1 4.23Å; V1525-Y1563 HydrophobicContact CG1-CG 3.88Å; V1525-Y1563 HydrophobicContact CG2-CD1 4.4Å; V1525-Y1563 HydrophobicContact CG2-CD2 4.12Å; V1525-Y1563 HydrophobicContact CG2-CE2 4.37Å; V1525-Y1563 HydrophobicContact CG2-CG 4.14Å
1526L88.7Confident91.2Very high13 Ų1322.6 Ų22.67%0.06813%0.131CC..Hα-helixtrans-103.4-19.3-170.7-58.3179.6000114.1Y1461 M1464 R1468 L1491 A1522 L1523 P1528 M1579Y1461-L1526 HydrophobicContact CD1-CB 3.41Å; Y1461-L1526 VanDerWaalsContact CD1-CB 3.41Å; Y1461-L1526 HydrophobicContact CD1-CD1 4.26Å; Y1461-L1526 HydrophobicContact CE1-CB 3.82Å; Y1461-L1526 WeakPolarHBondContact CE1-O 3.24Å; Y1461-L1526 HydrophobicContact CG-CB 4.21Å; M1464-L1526 HydrophobicContact CB-CD1 3.8Å; R1468-L1526 VanDerWaalsContact NH1-CD2 3.32Å; L1491-L1526 HydrophobicContact CD1-CD1 3.87Å; L1491-L1526 HydrophobicContact CD1-CD2 4.04Å; L1491-L1526 HydrophobicContact CD1-CG 3.89Å; A1522-L1526 HydrophobicContact CB-CD1 4.25Å; A1522-L1526 WeakPolarHBondContact O-CB 3.45Å; A1522-L1526 VanDerWaalsContact O-CG 3.22Å; A1522-L1526 WeakPolarHBondContact O-CG 3.41Å; A1522-L1526 PolarHBondContact O-N 2.95Å; L1523-L1526 PolarHBondContact O-N 3.26Å; L1526-P1528 WeakPolarHBondContact O-CD 3.31Å; L1526-M1579 HydrophobicContact CD2-CE 4.12Å
1527D89.2Confident91.2Very high5 Ų525.4 Ų25.43%0.02715%0.145CC..  trans-91.2105.6173.4-167.4-18.4000109.1L1457 Y1461 L1523 D1529 F1530 R1564L1457-D1527 WeakPolarHBondContact CD2-OD2 3.46Å; Y1461-D1527 HydrophobicContact CD2-CB 3.93Å; Y1461-D1527 HydrophobicContact CE1-CB 4.46Å; Y1461-D1527 HydrophobicContact CE2-CB 3.4Å; Y1461-D1527 VanDerWaalsContact CE2-CB 3.4Å; Y1461-D1527 WeakPolarHBondContact CE2-OD2 3.48Å; L1523-D1527 HydrophobicContact CD1-CB 3.84Å; L1523-D1527 WeakPolarHBondContact CD1-OD2 3.43Å; L1523-D1527 HydrophobicContact CG-CB 4.4Å; L1523-D1527 WeakPolarHBondContact O-CB 3.44Å; L1523-D1527 PolarHBondContact O-N 3.23Å; D1527-D1529 VanDerWaalsContact C-N 3.29Å; D1527-D1529 PolarHBondContact OD1-N 3.17Å; D1527-F1530 HydrophobicContact CB-CB 3.78Å; D1527-F1530 WeakPolarHBondContact O-CB 3.44Å; D1527-F1530 PolarHBondContact O-N 3.02Å; D1527-F1530 PolarHBondContact OD1-N 3.42Å; D1527-R1564 PolarHBondContact O-NH2 3.4Å
1528P80Confident91.2Very high55 Ų5526.6 Ų26.636%0.35715%0.15SC..SBendtrans-79.7-17.1-175.7-3.223.6000111.6L1526 F1530 R1564 Y1581L1526-P1528 WeakPolarHBondContact O-CD 3.31Å; P1528-F1530 VanDerWaalsContact C-N 3.32Å; P1528-R1564 PolarHBondContact O-NH1 3.06Å; P1528-Y1581 HydrophobicContact CB-CE2 4.07Å; P1528-Y1581 VanDerWaalsContact CB-OH 3.25Å; P1528-Y1581 WeakPolarHBondContact CB-OH 3.36Å; P1528-Y1581 HydrophobicContact CG-CE2 3.62Å
1529D81.8Confident91.1Very high106 Ų10626.6 Ų26.657%0.56715%0.15SC*.SBendtrans-75-21.5170.4-62.5-15.6000111.9D1527 D1531 Y1581D1527-D1529 VanDerWaalsContact C-N 3.29Å; D1527-D1529 PolarHBondContact OD1-N 3.17Å; D1529-D1531 PolarHBondContact O-N 2.94Å; D1529-Y1581 PolarHBondContact N-OH 2.98Å; D1529-Y1581 WeakPolarHBondContact OD1-CE1 3.46Å; D1529-Y1581 PolarHBondContact OD1-OH 2.98Å
1530F90.1Very high90.9Very high4 Ų433.1 Ų33.12%0.01818%0.18CC..  trans-69.8103.7178.5-170.8-86.4000111.2F1454 V1519 L1523 M1524 D1527 P1528 F1535 I1538 R1564F1454-F1530 HydrophobicContact CE2-CD2 4.41Å; F1454-F1530 HydrophobicContact CZ-CD2 4.41Å; F1454-F1530 HydrophobicContact CZ-CE2 4.11Å; V1519-F1530 HydrophobicContact CG1-CE2 4.47Å; V1519-F1530 HydrophobicContact CG1-CZ 3.94Å; V1519-F1530 HydrophobicContact CG2-CE2 4.24Å; V1519-F1530 HydrophobicContact CG2-CZ 4.35Å; L1523-F1530 HydrophobicContact CD2-CD2 3.78Å; L1523-F1530 HydrophobicContact CD2-CE2 3.71Å; L1523-F1530 HydrophobicContact CD2-CZ 4.49Å; L1523-F1530 HydrophobicContact CG-CD2 3.96Å; L1523-F1530 HydrophobicContact CG-CE2 4.32Å; L1523-F1530 HydrophobicContact CG-CG 4.38Å; M1524-F1530 HydrophobicContact CB-CD1 4.37Å; M1524-F1530 HydrophobicContact CB-CE1 4.35Å; M1524-F1530 HydrophobicContact CG-CD1 4.22Å; M1524-F1530 HydrophobicContact CG-CE1 3.75Å; M1524-F1530 HydrophobicContact CG-CZ 4.32Å; D1527-F1530 HydrophobicContact CB-CB 3.78Å; D1527-F1530 WeakPolarHBondContact O-CB 3.44Å; D1527-F1530 PolarHBondContact O-N 3.02Å; D1527-F1530 PolarHBondContact OD1-N 3.42Å; P1528-F1530 VanDerWaalsContact C-N 3.32Å; F1530-F1535 HydrophobicContact CE1-CB 3.92Å; F1530-F1535 HydrophobicContact CE1-CD1 4.15Å; F1530-F1535 HydrophobicContact CE1-CD2 4.44Å; F1530-F1535 AromaticContact CE1-CG 3.95Å; F1530-F1535 HydrophobicContact CE1-CG 3.95Å; F1530-F1535 HydrophobicContact CZ-CB 3.72Å; F1530-F1535 HydrophobicContact CZ-CD1 4.3Å; F1530-F1535 AromaticContact CZ-CD2 3.79Å; F1530-F1535 HydrophobicContact CZ-CD2 3.79Å; F1530-F1535 HydrophobicContact CZ-CE2 4.44Å; F1530-F1535 AromaticContact CZ-CG 3.7Å; F1530-F1535 HydrophobicContact CZ-CG 3.7Å; F1530-I1538 HydrophobicContact CE2-CD1 3.9Å; F1530-R1564 PolarHBondContact O-NH2 2.96Å
1531D87.6Confident90.6Very high54 Ų5433.2 Ų33.229%0.28918%0.181SC..  trans-114.6179.7-176.788.1-52.5000113D1529 N1533 S1534 F1535D1529-D1531 PolarHBondContact O-N 2.94Å; D1531-N1533 VanDerWaalsContact C-N 3.34Å; D1531-N1533 PolarHBondContact O-N 3.02Å; D1531-N1533 PolarHBondContact OD1-N 3.44Å; D1531-N1533 WeakPolarHBondContact OD2-CB 3.27Å; D1531-N1533 PolarHBondContact OD2-N 3.01Å; D1531-N1533 PolarHBondContact OD2-ND2 2.87Å; D1531-S1534 WeakPolarHBondContact OD1-CB 3.09Å; D1531-S1534 PolarHBondContact OD1-N 2.95Å; D1531-S1534 PolarHBondContact OD1-OG 2.89Å; D1531-F1535 WeakPolarHBondContact O-CB 3.4Å; D1531-F1535 PolarHBondContact O-N 3.35Å
1532A90Very high90.3Very high9 Ų936.1 Ų36.17%0.07420%0.2CC..Hα-helixtrans-64.4-34.4178.200000113.2F1535 A1536 E1553 L1556A1532-F1535 PolarHBondContact O-N 3.27Å; A1532-A1536 WeakPolarHBondContact O-CB 3.35Å; A1532-A1536 PolarHBondContact O-N 3.46Å; A1532-E1553 HydrophobicContact CB-CB 3.72Å; A1532-E1553 HydrophobicContact CB-CG 3.84Å; A1532-L1556 HydrophobicContact CB-CD2 3.98Å
1533N90.3Very high89.8Confident92 Ų9241.6 Ų41.649%0.49223%0.229SC..Hα-helixtrans-70.4-46.2179.9-62.5-75.5000111.3D1531 F1535 A1536 L1537D1531-N1533 VanDerWaalsContact C-N 3.34Å; D1531-N1533 PolarHBondContact O-N 3.02Å; D1531-N1533 PolarHBondContact OD1-N 3.44Å; D1531-N1533 WeakPolarHBondContact OD2-CB 3.27Å; D1531-N1533 PolarHBondContact OD2-N 3.01Å; D1531-N1533 PolarHBondContact OD2-ND2 2.87Å; N1533-F1535 VanDerWaalsContact C-N 3.28Å; N1533-F1535 PolarHBondContact O-N 2.87Å; N1533-A1536 PolarHBondContact O-N 3.25Å; N1533-L1537 VanDerWaalsContact O-CG 3.31Å; N1533-L1537 WeakPolarHBondContact O-CG 3.4Å; N1533-L1537 PolarHBondContact O-N 3.26Å
1534S91.1Very high89.5Confident44 Ų4445.8 Ų45.831%0.30826%0.258SS..Hα-helixtrans-56.5-44.4173-59.70000111D1531 L1537 I1538D1531-S1534 WeakPolarHBondContact OD1-CB 3.09Å; D1531-S1534 PolarHBondContact OD1-N 2.95Å; D1531-S1534 PolarHBondContact OD1-OG 2.89Å; S1534-L1537 PolarHBondContact O-N 3.17Å; S1534-I1538 WeakPolarHBondContact O-CD1 3.25Å; S1534-I1538 VanDerWaalsContact O-CG1 3.27Å; S1534-I1538 WeakPolarHBondContact O-CG1 3.45Å; S1534-I1538 PolarHBondContact O-N 3.38Å
1535F95.1Very high89.3Confident0 Ų047.5 Ų47.50%027%0.267CS..Hα-helixtrans-66.7-41178.4-164.6-168.1000112.8V1498 W1501 L1502 L1514 V1519 M1524 F1530 D1531 A1532 N1533 L1537 I1538 L1539 L1552 L1556V1498-F1535 HydrophobicContact CG1-CZ 3.83Å; W1501-F1535 HydrophobicContact CH2-CE1 4.28Å; W1501-F1535 AromaticContact CZ3-CE1 3.8Å; W1501-F1535 HydrophobicContact CZ3-CE1 3.8Å; W1501-F1535 HydrophobicContact CZ3-CZ 4.2Å; L1502-F1535 HydrophobicContact CD1-CZ 4.25Å; L1502-F1535 HydrophobicContact CD2-CZ 4.3Å; L1514-F1535 HydrophobicContact CD1-CE2 3.81Å; L1514-F1535 HydrophobicContact CD1-CZ 4.18Å; L1514-F1535 HydrophobicContact CD2-CD2 4.49Å; L1514-F1535 HydrophobicContact CD2-CE2 3.9Å; L1514-F1535 HydrophobicContact CG-CE2 4.45Å; V1519-F1535 HydrophobicContact CG1-CD2 4.28Å; V1519-F1535 HydrophobicContact CG1-CE2 3.73Å; V1519-F1535 HydrophobicContact CG1-CZ 4.24Å; M1524-F1535 HydrophobicContact CE-CE1 3.93Å; M1524-F1535 HydrophobicContact CE-CZ 4.36Å; F1530-F1535 HydrophobicContact CE1-CB 3.92Å; F1530-F1535 HydrophobicContact CE1-CD1 4.15Å; F1530-F1535 HydrophobicContact CE1-CD2 4.44Å; F1530-F1535 AromaticContact CE1-CG 3.95Å; F1530-F1535 HydrophobicContact CE1-CG 3.95Å; F1530-F1535 HydrophobicContact CZ-CB 3.72Å; F1530-F1535 HydrophobicContact CZ-CD1 4.3Å; F1530-F1535 AromaticContact CZ-CD2 3.79Å; F1530-F1535 HydrophobicContact CZ-CD2 3.79Å; F1530-F1535 HydrophobicContact CZ-CE2 4.44Å; F1530-F1535 AromaticContact CZ-CG 3.7Å; F1530-F1535 HydrophobicContact CZ-CG 3.7Å; D1531-F1535 WeakPolarHBondContact O-CB 3.4Å; D1531-F1535 PolarHBondContact O-N 3.35Å; A1532-F1535 PolarHBondContact O-N 3.27Å; N1533-F1535 VanDerWaalsContact C-N 3.28Å; N1533-F1535 PolarHBondContact O-N 2.87Å; F1535-L1537 VanDerWaalsContact C-N 3.35Å; F1535-L1537 PolarHBondContact O-N 3.34Å; F1535-I1538 PolarHBondContact O-N 3.17Å; F1535-L1539 HydrophobicContact CD2-CD1 3.92Å; F1535-L1539 HydrophobicContact CD2-CG 4.17Å; F1535-L1539 HydrophobicContact CE2-CD1 3.92Å; F1535-L1539 HydrophobicContact CE2-CG 4.17Å; F1535-L1539 HydrophobicContact CG-CD1 4.33Å; F1535-L1539 HydrophobicContact CZ-CD1 4.34Å; F1535-L1539 WeakPolarHBondContact O-CB 3.43Å; F1535-L1539 WeakPolarHBondContact O-CG 3.45Å; F1535-L1539 PolarHBondContact O-N 3Å; F1535-L1552 HydrophobicContact CB-CD2 4.3Å; F1535-L1552 HydrophobicContact CD1-CD1 3.88Å; F1535-L1552 HydrophobicContact CD1-CD2 4.15Å; F1535-L1552 HydrophobicContact CD1-CG 4.26Å; F1535-L1552 HydrophobicContact CE1-CD1 3.88Å; F1535-L1552 HydrophobicContact CG-CD2 4.24Å; F1535-L1556 HydrophobicContact CD1-CD1 4Å; F1535-L1556 HydrophobicContact CD1-CD2 4.05Å; F1535-L1556 HydrophobicContact CE1-CD1 4.08Å
1536A92.9Very high89.3Confident2 Ų249.2 Ų49.22%0.01728%0.277CS..Hα-helixtrans-64.3-36.5175.600000112.9A1532 N1533 L1539 Q1540 I1541 R1549 L1552A1532-A1536 WeakPolarHBondContact O-CB 3.35Å; A1532-A1536 PolarHBondContact O-N 3.46Å; N1533-A1536 PolarHBondContact O-N 3.25Å; A1536-L1539 PolarHBondContact O-N 3.39Å; A1536-Q1540 PolarHBondContact O-N 3.44Å; A1536-Q1540 VanDerWaalsContact O-N 3.15Å; A1536-I1541 HydrophobicContact CB-CD1 4.42Å; A1536-I1541 PolarHBondContact O-N 3.04Å; A1536-R1549 HydrophobicContact CB-CG 4.12Å; A1536-L1552 HydrophobicContact CB-CD2 3.96Å
1537L91.6Very high89.3Confident110 Ų11056.4 Ų56.458%0.57631%0.311SS*.Hα-helixtrans-64.8-44.6173.5-71.8168.7000111.6N1533 S1534 F1535 L1539 Q1540N1533-L1537 VanDerWaalsContact O-CG 3.31Å; N1533-L1537 WeakPolarHBondContact O-CG 3.4Å; N1533-L1537 PolarHBondContact O-N 3.26Å; S1534-L1537 PolarHBondContact O-N 3.17Å; F1535-L1537 VanDerWaalsContact C-N 3.35Å; F1535-L1537 PolarHBondContact O-N 3.34Å; L1537-L1539 VanDerWaalsContact C-N 3.32Å; L1537-L1539 PolarHBondContact O-N 3.47Å; L1537-Q1540 PolarHBondContact O-N 2.94Å
1538I92.1Very high89.2Confident39 Ų3958.2 Ų58.220%0.232%0.319CS..Hα-helixtrans-64.8-37.6176.8-63.5157.7000111.3F1454 L1514 V1519 F1530 S1534 F1535 Q1540F1454-I1538 HydrophobicContact CE1-CD1 3.69Å; F1454-I1538 HydrophobicContact CE1-CG1 4.41Å; F1454-I1538 HydrophobicContact CE2-CD1 4.03Å; F1454-I1538 HydrophobicContact CZ-CD1 3.32Å; F1454-I1538 HydrophobicContact CZ-CG1 4.43Å; L1514-I1538 HydrophobicContact CD2-CG2 3.95Å; V1519-I1538 HydrophobicContact CG2-CD1 3.93Å; V1519-I1538 HydrophobicContact CG2-CG2 3.82Å; F1530-I1538 HydrophobicContact CE2-CD1 3.9Å; S1534-I1538 WeakPolarHBondContact O-CD1 3.25Å; S1534-I1538 VanDerWaalsContact O-CG1 3.27Å; S1534-I1538 WeakPolarHBondContact O-CG1 3.45Å; S1534-I1538 PolarHBondContact O-N 3.38Å; F1535-I1538 PolarHBondContact O-N 3.17Å; I1538-Q1540 PolarHBondContact O-N 3.12Å
1539L93.3Very high89.8Confident0 Ų057.3 Ų57.30%031%0.309CS..THydrogen-bonded Turntrans-69.8-9.9173.1-76.6165.9000113.9L1502 N1513 L1514 F1535 A1536 L1537 I1541 L1552L1502-L1539 HydrophobicContact CD1-CD1 4.16Å; L1502-L1539 HydrophobicContact CD1-CD2 3.61Å; L1502-L1539 HydrophobicContact CD1-CG 4.49Å; L1502-L1539 HydrophobicContact CD2-CD1 4.13Å; N1513-L1539 PolarHBondContact ND2-O 3Å; L1514-L1539 HydrophobicContact CD1-CD2 4.32Å; L1514-L1539 HydrophobicContact CD2-CD2 3.55Å; L1514-L1539 HydrophobicContact CD2-CG 3.91Å; L1514-L1539 HydrophobicContact CG-CD2 3.65Å; L1514-L1539 HydrophobicContact CG-CG 4.49Å; F1535-L1539 HydrophobicContact CD2-CD1 3.92Å; F1535-L1539 HydrophobicContact CD2-CG 4.17Å; F1535-L1539 HydrophobicContact CE2-CD1 3.92Å; F1535-L1539 HydrophobicContact CE2-CG 4.17Å; F1535-L1539 HydrophobicContact CG-CD1 4.33Å; F1535-L1539 HydrophobicContact CZ-CD1 4.34Å; F1535-L1539 WeakPolarHBondContact O-CB 3.43Å; F1535-L1539 WeakPolarHBondContact O-CG 3.45Å; F1535-L1539 PolarHBondContact O-N 3Å; A1536-L1539 PolarHBondContact O-N 3.39Å; L1537-L1539 VanDerWaalsContact C-N 3.32Å; L1537-L1539 PolarHBondContact O-N 3.47Å; L1539-I1541 HydrophobicContact CB-CD1 4.08Å; L1539-I1541 HydrophobicContact CB-CG1 3.83Å; L1539-I1541 HydrophobicContact CD1-CD1 4.15Å; L1539-I1541 PolarHBondContact O-N 3.26Å; L1539-L1552 HydrophobicContact CD1-CD1 4.02Å; L1539-L1552 HydrophobicContact CD1-CD2 3.66Å
1540Q92Very high90.1Very high137 Ų13757.4 Ų57.464%0.6431%0.306SS*.THydrogen-bonded Turntrans57.434.6-175.6-57.5167.24900112.6A1536 L1537 I1538A1536-Q1540 PolarHBondContact O-N 3.44Å; A1536-Q1540 VanDerWaalsContact O-N 3.15Å; L1537-Q1540 PolarHBondContact O-N 2.94Å; I1538-Q1540 PolarHBondContact O-N 3.12Å
1541I90.4Very high90.1Very high4 Ų461.8 Ų61.82%0.02133%0.325CS..  trans-72.1125.2171.4-55.9174.6000107.6Y1510 A1536 L1539 D1545 M1548 R1549 L1552Y1510-I1541 HydrophobicContact CD1-CG1 3.84Å; Y1510-I1541 HydrophobicContact CD2-CD1 4.42Å; Y1510-I1541 HydrophobicContact CD2-CG1 3.98Å; Y1510-I1541 HydrophobicContact CE1-CB 4.33Å; Y1510-I1541 HydrophobicContact CE1-CG1 4.08Å; Y1510-I1541 HydrophobicContact CE1-CG2 4.48Å; Y1510-I1541 HydrophobicContact CE2-CG1 4.19Å; Y1510-I1541 HydrophobicContact CE2-CG2 4.34Å; Y1510-I1541 HydrophobicContact CG-CG1 3.79Å; A1536-I1541 HydrophobicContact CB-CD1 4.42Å; A1536-I1541 PolarHBondContact O-N 3.04Å; L1539-I1541 HydrophobicContact CB-CD1 4.08Å; L1539-I1541 HydrophobicContact CB-CG1 3.83Å; L1539-I1541 HydrophobicContact CD1-CD1 4.15Å; L1539-I1541 PolarHBondContact O-N 3.26Å; I1541-D1545 HydrophobicContact CG2-CB 3.89Å; I1541-M1548 HydrophobicContact CG2-CB 4.2Å; I1541-R1549 HydrophobicContact CB-CG 4.32Å; I1541-R1549 HydrophobicContact CG2-CG 3.75Å; I1541-R1549 PolarHBondContact O-NE 3.28Å; I1541-R1549 PolarHBondContact O-NH2 3Å; I1541-L1552 HydrophobicContact CD1-CD2 4.1Å
1542P87.3Confident90.4Very high60 Ų6059.2 Ų59.239%0.3931%0.311SS..  trans-54.4149.7177.9-26.535.6000112.4Y1510 S1544 D1545 R1549Y1510-P1542 WeakPolarHBondContact OH-CD 3.43Å; P1542-S1544 PolarHBondContact O-N 2.86Å; P1542-D1545 HydrophobicContact CB-CB 4.29Å; P1542-D1545 PolarHBondContact O-N 2.99Å; P1542-D1545 VanDerWaalsContact O-N 3.15Å; P1542-R1549 WeakPolarHBondContact O-CD 3.47Å; P1542-R1549 PolarHBondContact O-NE 3.12Å
1543N85.3Confident90.5Very high117 Ų11762.3 Ų62.363%0.62632%0.324SS*.THydrogen-bonded Turntrans-67-23.8174.7-72.2-2.9000112.3D1545 R1549N1543-D1545 VanDerWaalsContact C-N 3.35Å; N1543-R1549 VanDerWaalsContact OD1-CZ 3.26Å; N1543-R1549 PolarHBondContact OD1-NH2 3.23Å
1544S87.8Confident90.4Very high87 Ų8760.9 Ų60.961%0.60832%0.32SS*.THydrogen-bonded Turntrans-75.3-18.6173.153.20000113.8P1542 V1546P1542-S1544 PolarHBondContact O-N 2.86Å; S1544-V1546 PolarHBondContact O-N 3.48Å
1545D88.9Confident90.4Very high36 Ų3660.8 Ų60.819%0.19332%0.315CS..  trans-85.764.8176.9-170.8-5.6000110.1Y1510 I1541 P1542 N1543 Q1547 M1548 R1549Y1510-D1545 PolarHBondContact OH-OD2 3.43Å; I1541-D1545 HydrophobicContact CG2-CB 3.89Å; P1542-D1545 HydrophobicContact CB-CB 4.29Å; P1542-D1545 PolarHBondContact O-N 2.99Å; P1542-D1545 VanDerWaalsContact O-N 3.15Å; N1543-D1545 VanDerWaalsContact C-N 3.35Å; D1545-Q1547 PolarHBondContact O-N 2.89Å; D1545-M1548 VanDerWaalsContact CG-CB 3.49Å; D1545-M1548 VanDerWaalsContact CG-CG 3.48Å; D1545-M1548 PolarHBondContact O-N 3.39Å; D1545-M1548 VanDerWaalsContact OD1-CB 3.24Å; D1545-M1548 WeakPolarHBondContact OD1-CB 3.39Å; D1545-M1548 WeakPolarHBondContact OD1-CG 3.22Å; D1545-M1548 PolarHBondContact OD1-N 3.39Å; D1545-M1548 VanDerWaalsContact OD1-N 3.07Å; D1545-M1548 WeakPolarHBondContact OD2-CB 3.31Å; D1545-M1548 WeakPolarHBondContact OD2-CG 3.19Å; D1545-R1549 WeakPolarHBondContact O-CB 3.41Å; D1545-R1549 WeakPolarHBondContact O-CG 3.46Å; D1545-R1549 PolarHBondContact O-N 2.83Å; D1545-R1549 VanDerWaalsContact O-N 3.11Å
1546V89Confident90.2Very high59 Ų5960.8 Ų60.836%0.35832%0.315SS..Hα-helixtrans-62-35.7-177.5-176.70000110.8S1544 R1549 H1550S1544-V1546 PolarHBondContact O-N 3.48Å; V1546-R1549 PolarHBondContact O-N 2.79Å; V1546-H1550 WeakPolarHBondContact O-CB 3.49Å; V1546-H1550 PolarHBondContact O-N 2.99Å
1547Q88.5Confident90Very high165 Ų16564.5 Ų64.577%0.77134%0.335SS*.Hα-helixtrans-65-47.6-179.2-168.1-179.22100111.9D1545 K1551D1545-Q1547 PolarHBondContact O-N 2.89Å; Q1547-K1551 WeakPolarHBondContact O-CB 3.19Å; Q1547-K1551 PolarHBondContact O-N 3.16Å
1548M88.3Confident89.8Confident42 Ų4265.4 Ų65.421%0.20733%0.331CS..Hα-helixtrans-70.6-33.6177.6-65.2-66.1-146.200112.2L1507 Y1510 I1541 D1545 K1551 L1552L1507-M1548 HydrophobicContact CD2-CB 3.74Å; L1507-M1548 HydrophobicContact CD2-CE 4.28Å; L1507-M1548 HydrophobicContact CD2-CG 4Å; L1507-M1548 HydrophobicContact CD2-SD 3.43Å; L1507-M1548 WeakPolarHBondContact CD2-SD 3.36Å; Y1510-M1548 HydrophobicContact CE2-CB 4.37Å; Y1510-M1548 HydrophobicContact CE2-CG 4.21Å; I1541-M1548 HydrophobicContact CG2-CB 4.2Å; D1545-M1548 VanDerWaalsContact CG-CB 3.49Å; D1545-M1548 VanDerWaalsContact CG-CG 3.48Å; D1545-M1548 PolarHBondContact O-N 3.39Å; D1545-M1548 VanDerWaalsContact OD1-CB 3.24Å; D1545-M1548 WeakPolarHBondContact OD1-CB 3.39Å; D1545-M1548 WeakPolarHBondContact OD1-CG 3.22Å; D1545-M1548 PolarHBondContact OD1-N 3.39Å; D1545-M1548 VanDerWaalsContact OD1-N 3.07Å; D1545-M1548 WeakPolarHBondContact OD2-CB 3.31Å; D1545-M1548 WeakPolarHBondContact OD2-CG 3.19Å; M1548-K1551 PolarHBondContact O-N 2.88Å; M1548-L1552 WeakPolarHBondContact O-CB 3.44Å; M1548-L1552 PolarHBondContact O-N 3Å
1549R91.7Very high89.6Confident37 Ų3764 Ų6414%0.1432%0.324CS..Hα-helixtrans-63.1-49.9174.1-76.4179.3163.8-99.9-7.3112.4A1536 I1541 P1542 N1543 D1545 V1546 K1551 L1552 E1553A1536-R1549 HydrophobicContact CB-CG 4.12Å; I1541-R1549 HydrophobicContact CB-CG 4.32Å; I1541-R1549 HydrophobicContact CG2-CG 3.75Å; I1541-R1549 PolarHBondContact O-NE 3.28Å; I1541-R1549 PolarHBondContact O-NH2 3Å; P1542-R1549 WeakPolarHBondContact O-CD 3.47Å; P1542-R1549 PolarHBondContact O-NE 3.12Å; N1543-R1549 VanDerWaalsContact OD1-CZ 3.26Å; N1543-R1549 PolarHBondContact OD1-NH2 3.23Å; D1545-R1549 WeakPolarHBondContact O-CB 3.41Å; D1545-R1549 WeakPolarHBondContact O-CG 3.46Å; D1545-R1549 PolarHBondContact O-N 2.83Å; D1545-R1549 VanDerWaalsContact O-N 3.11Å; V1546-R1549 PolarHBondContact O-N 2.79Å; R1549-K1551 VanDerWaalsContact C-N 3.32Å; R1549-K1551 PolarHBondContact O-N 3.41Å; R1549-L1552 WeakPolarHBondContact O-CB 3.41Å; R1549-L1552 PolarHBondContact O-N 3.33Å; R1549-E1553 WeakPolarHBondContact O-CB 3.34Å; R1549-E1553 PolarHBondContact O-N 2.88Å
1550H89.6Confident89.3Confident108 Ų10864.2 Ų64.250%0.533%0.325SS..Hα-helixtrans-63.8-37.9177.3-176.655.8000111.9V1546 L1552 E1553 C1554V1546-H1550 WeakPolarHBondContact O-CB 3.49Å; V1546-H1550 PolarHBondContact O-N 2.99Å; H1550-L1552 PolarHBondContact O-N 3.4Å; H1550-E1553 IonicContact ND1-OE2 2.88Å; H1550-E1553 PolarHBondContact ND1-OE2 3.15Å; H1550-E1553 WeakPolarHBondContact O-CB 3.42Å; H1550-E1553 PolarHBondContact O-N 3.28Å; H1550-C1554 PolarHBondContact CE1-SG 2.82Å; H1550-C1554 PolarHBondContact O-N 3.05Å; H1550-C1554 PolarHBondContact O-SG 3.39Å
1551K89.9Confident88.6Confident95 Ų9563.6 Ų63.641%0.41332%0.322SS..Hα-helixtrans-63-41.3174.5-163.4-177.7-164.3-171.60112.7I1505 Q1547 M1548 R1549 E1555I1505-K1551 WeakPolarHBondContact O-CE 3.44Å; I1505-K1551 PolarHBondContact O-NZ 3.08Å; Q1547-K1551 WeakPolarHBondContact O-CB 3.19Å; Q1547-K1551 PolarHBondContact O-N 3.16Å; M1548-K1551 PolarHBondContact O-N 2.88Å; R1549-K1551 VanDerWaalsContact C-N 3.32Å; R1549-K1551 PolarHBondContact O-N 3.41Å; K1551-E1555 PolarHBondContact O-N 3.28Å
1552L93.3Very high88Confident0 Ų066.9 Ų66.90%034%0.343CS..Hα-helixtrans-61.7-46.9173.4178.967.6000111W1501 L1502 L1507 F1535 A1536 L1539 I1541 M1548 R1549 H1550 L1556W1501-L1552 HydrophobicContact CH2-CD1 4.19Å; W1501-L1552 HydrophobicContact CZ3-CD1 4.41Å; L1502-L1552 HydrophobicContact CD2-CD1 3.62Å; L1507-L1552 HydrophobicContact CD1-CB 3.95Å; L1507-L1552 HydrophobicContact CD1-CD1 3.81Å; L1507-L1552 HydrophobicContact CD1-CG 4.42Å; F1535-L1552 HydrophobicContact CB-CD2 4.3Å; F1535-L1552 HydrophobicContact CD1-CD1 3.88Å; F1535-L1552 HydrophobicContact CD1-CD2 4.15Å; F1535-L1552 HydrophobicContact CD1-CG 4.26Å; F1535-L1552 HydrophobicContact CE1-CD1 3.88Å; F1535-L1552 HydrophobicContact CG-CD2 4.24Å; A1536-L1552 HydrophobicContact CB-CD2 3.96Å; L1539-L1552 HydrophobicContact CD1-CD1 4.02Å; L1539-L1552 HydrophobicContact CD1-CD2 3.66Å; I1541-L1552 HydrophobicContact CD1-CD2 4.1Å; M1548-L1552 WeakPolarHBondContact O-CB 3.44Å; M1548-L1552 PolarHBondContact O-N 3Å; R1549-L1552 WeakPolarHBondContact O-CB 3.41Å; R1549-L1552 PolarHBondContact O-N 3.33Å; H1550-L1552 PolarHBondContact O-N 3.4Å; L1552-L1556 WeakPolarHBondContact O-CB 3.41Å; L1552-L1556 PolarHBondContact O-N 3.5Å
1553E92Very high87.4Confident74 Ų7467.7 Ų67.735%0.34634%0.339SS..Hα-helixtrans-59.2-51.7-180177.1177.7-138.500112.3A1532 R1549 H1550 E1555 L1556 N1557A1532-E1553 HydrophobicContact CB-CB 3.72Å; A1532-E1553 HydrophobicContact CB-CG 3.84Å; R1549-E1553 WeakPolarHBondContact O-CB 3.34Å; R1549-E1553 PolarHBondContact O-N 2.88Å; H1550-E1553 IonicContact ND1-OE2 2.88Å; H1550-E1553 PolarHBondContact ND1-OE2 3.15Å; H1550-E1553 WeakPolarHBondContact O-CB 3.42Å; H1550-E1553 PolarHBondContact O-N 3.28Å; E1553-E1555 PolarHBondContact O-N 2.88Å; E1553-L1556 PolarHBondContact O-N 3.33Å; E1553-N1557 WeakPolarHBondContact CG-ND2 3.25Å; E1553-N1557 VanDerWaalsContact O-CB 3.29Å; E1553-N1557 WeakPolarHBondContact O-CB 3.4Å; E1553-N1557 VanDerWaalsContact O-CG 3.32Å; E1553-N1557 PolarHBondContact O-N 3.4Å; E1553-N1557 PolarHBondContact O-ND2 3.24Å
1554C88.8Confident86.6Confident62 Ų6266.8 Ų66.842%0.41933%0.327SS..Hα-helixtrans-59.6-46.5179.4-72.70000112.4H1550 R1558H1550-C1554 PolarHBondContact CE1-SG 2.82Å; H1550-C1554 PolarHBondContact O-N 3.05Å; H1550-C1554 PolarHBondContact O-SG 3.39Å; C1554-R1558 VanDerWaalsContact O-CB 3.3Å; C1554-R1558 WeakPolarHBondContact O-CB 3.43Å; C1554-R1558 PolarHBondContact O-N 3.33Å
1555E90.1Very high84.5Confident42 Ų4265.7 Ų65.720%0.19632%0.319CS..Hα-helixtrans-72.6-33.9179.9-80.7-70.7122.200112.8W1501 I1505 K1551 E1553 R1558 L1559W1501-E1555 HydrophobicContact CZ2-CB 3.81Å; I1505-E1555 HydrophobicContact CB-CG 4.33Å; I1505-E1555 HydrophobicContact CD1-CB 3.9Å; I1505-E1555 HydrophobicContact CD1-CG 4.31Å; I1505-E1555 HydrophobicContact CG2-CB 4.25Å; I1505-E1555 HydrophobicContact CG2-CG 3.86Å; I1505-E1555 WeakPolarHBondContact CG2-OE2 3.29Å; K1551-E1555 PolarHBondContact O-N 3.28Å; E1553-E1555 PolarHBondContact O-N 2.88Å; E1555-R1558 VanDerWaalsContact CD-NH2 3.34Å; E1555-R1558 IonicContact OE1-CZ 3.45Å; E1555-R1558 IonicContact OE1-NE 2.67Å; E1555-R1558 PolarHBondContact OE1-NE 3.4Å; E1555-R1558 IonicContact OE1-NH2 3.76Å; E1555-R1558 PolarHBondContact OE1-NH2 2.89Å; E1555-R1558 VanDerWaalsContact OE1-NH2 3.16Å; E1555-R1558 IonicContact OE2-CZ 2.68Å; E1555-R1558 IonicContact OE2-NE 3.33Å; E1555-R1558 IonicContact OE2-NH2 2.97Å; E1555-R1558 PolarHBondContact OE2-NH2 2.85Å; E1555-L1559 PolarHBondContact O-N 2.84Å; E1555-L1559 VanDerWaalsContact O-N 3.13Å
1556L91.4Very high82.1Confident0 Ų069 Ų690%034%0.34CS..Hα-helixtrans-65.2-49.6173179.469.5000111W1501 M1524 A1532 F1535 L1552 E1553 R1558 L1559 L1560W1501-L1556 HydrophobicContact CH2-CB 4.43Å; M1524-L1556 HydrophobicContact CE-CD1 3.42Å; M1524-L1556 VanDerWaalsContact CE-CD1 3.42Å; A1532-L1556 HydrophobicContact CB-CD2 3.98Å; F1535-L1556 HydrophobicContact CD1-CD1 4Å; F1535-L1556 HydrophobicContact CD1-CD2 4.05Å; F1535-L1556 HydrophobicContact CE1-CD1 4.08Å; L1552-L1556 WeakPolarHBondContact O-CB 3.41Å; L1552-L1556 PolarHBondContact O-N 3.5Å; E1553-L1556 PolarHBondContact O-N 3.33Å; L1556-R1558 VanDerWaalsContact C-N 3.27Å; L1556-R1558 PolarHBondContact O-N 2.97Å; L1556-L1559 CarbonylContact O-C 3.55Å; L1556-L1559 WeakPolarHBondContact O-CB 3.46Å; L1556-L1559 PolarHBondContact O-N 3.43Å; L1556-L1560 HydrophobicContact CD1-CD1 3.9Å; L1556-L1560 HydrophobicContact CD1-CG 4.17Å; L1556-L1560 HydrophobicContact CD2-CD1 4.27Å; L1556-L1560 HydrophobicContact CG-CD1 3.78Å; L1556-L1560 HydrophobicContact CG-CG 4.3Å; L1556-L1560 WeakPolarHBondContact O-CG 3.43Å; L1556-L1560 PolarHBondContact O-N 2.95Å
1557N88.3Confident79.3Confident80 Ų8073.6 Ų73.643%0.42836%0.363SS..Hα-helixtrans-62.1-37.4178.9-74.6-28.9000110.9E1553 L1559 L1560 H1561E1553-N1557 WeakPolarHBondContact CG-ND2 3.25Å; E1553-N1557 VanDerWaalsContact O-CB 3.29Å; E1553-N1557 WeakPolarHBondContact O-CB 3.4Å; E1553-N1557 VanDerWaalsContact O-CG 3.32Å; E1553-N1557 PolarHBondContact O-N 3.4Å; E1553-N1557 PolarHBondContact O-ND2 3.24Å; N1557-L1559 VanDerWaalsContact C-N 3.31Å; N1557-L1559 PolarHBondContact O-N 3.45Å; N1557-L1560 PolarHBondContact O-N 3.02Å; N1557-H1561 WeakPolarHBondContact O-CB 3.49Å; N1557-H1561 PolarHBondContact O-N 3.22Å
1558R88.1Confident76.5Confident130 Ų13073.5 Ų73.549%0.49136%0.362SS..Hα-helixtrans-61.9-34.1172.6-166175.170.576.1-0.6113.2C1554 E1555 L1556C1554-R1558 VanDerWaalsContact O-CB 3.3Å; C1554-R1558 WeakPolarHBondContact O-CB 3.43Å; C1554-R1558 PolarHBondContact O-N 3.33Å; E1555-R1558 VanDerWaalsContact CD-NH2 3.34Å; E1555-R1558 IonicContact OE1-CZ 3.45Å; E1555-R1558 IonicContact OE1-NE 2.67Å; E1555-R1558 PolarHBondContact OE1-NE 3.4Å; E1555-R1558 IonicContact OE1-NH2 3.76Å; E1555-R1558 PolarHBondContact OE1-NH2 2.89Å; E1555-R1558 VanDerWaalsContact OE1-NH2 3.16Å; E1555-R1558 IonicContact OE2-CZ 2.68Å; E1555-R1558 IonicContact OE2-NE 3.33Å; E1555-R1558 IonicContact OE2-NH2 2.97Å; E1555-R1558 PolarHBondContact OE2-NH2 2.85Å; L1556-R1558 VanDerWaalsContact C-N 3.27Å; L1556-R1558 PolarHBondContact O-N 2.97Å
1559L87.9Confident73.4Confident10 Ų1078.8 Ų78.85%0.05239%0.391CS..Hα-helixtrans-77.9-32.6173.2-75.3-173.5000113.8L1487 L1490 W1493 W1501 E1555 L1556 N1557 P1562L1487-L1559 HydrophobicContact CB-CD2 4.03Å; L1487-L1559 HydrophobicContact CD2-CD2 4.36Å; L1490-L1559 HydrophobicContact CD2-CB 4.19Å; W1493-L1559 HydrophobicContact CH2-CD1 3.74Å; W1493-L1559 HydrophobicContact CH2-CD2 4.16Å; W1493-L1559 HydrophobicContact CZ3-CD1 3.91Å; W1501-L1559 HydrophobicContact CD2-CD1 3.87Å; W1501-L1559 HydrophobicContact CE3-CD1 4.46Å; W1501-L1559 HydrophobicContact CG-CD1 4.32Å; W1501-L1559 HydrophobicContact CH2-CD1 4.19Å; W1501-L1559 HydrophobicContact CZ2-CD1 3.54Å; W1501-L1559 HydrophobicContact CZ2-CG 4.24Å; E1555-L1559 PolarHBondContact O-N 2.84Å; E1555-L1559 VanDerWaalsContact O-N 3.13Å; L1556-L1559 CarbonylContact O-C 3.55Å; L1556-L1559 WeakPolarHBondContact O-CB 3.46Å; L1556-L1559 PolarHBondContact O-N 3.43Å; N1557-L1559 VanDerWaalsContact C-N 3.31Å; N1557-L1559 PolarHBondContact O-N 3.45Å; L1559-P1562 WeakPolarHBondContact O-CD 3.37Å
1560L86.7Confident70.4Confident4 Ų484 Ų842%0.02143%0.428CS..Hα-helixtrans-86.9-21-176.7-67.9-179.7000114L1490 M1524 V1525 L1556 N1557 P1562 Y1563 R1564L1490-L1560 HydrophobicContact CD2-CD2 3.66Å; M1524-L1560 HydrophobicContact CB-CD2 4.29Å; M1524-L1560 WeakPolarHBondContact O-CD2 3.49Å; V1525-L1560 HydrophobicContact CG2-CD2 4.34Å; L1556-L1560 HydrophobicContact CD1-CD1 3.9Å; L1556-L1560 HydrophobicContact CD1-CG 4.17Å; L1556-L1560 HydrophobicContact CD2-CD1 4.27Å; L1556-L1560 HydrophobicContact CG-CD1 3.78Å; L1556-L1560 HydrophobicContact CG-CG 4.3Å; L1556-L1560 WeakPolarHBondContact O-CG 3.43Å; L1556-L1560 PolarHBondContact O-N 2.95Å; N1557-L1560 PolarHBondContact O-N 3.02Å; L1560-P1562 VanDerWaalsContact C-CD 3.48Å; L1560-Y1563 WeakPolarHBondContact O-CA 3.47Å; L1560-Y1563 PolarHBondContact O-N 3.38Å; L1560-R1564 HydrophobicContact CB-CG 4.49Å; L1560-R1564 PolarHBondContact O-N 3.22Å
1561H78.4Confident67.3Low124 Ų12482.4 Ų82.457%0.57443%0.429SS*.Hα-helixtrans-52-44.4-179.3-165.391.1000113.9N1557 Y1563 R1564 S1565N1557-H1561 WeakPolarHBondContact O-CB 3.49Å; N1557-H1561 PolarHBondContact O-N 3.22Å; H1561-Y1563 PolarHBondContact O-N 3.42Å; H1561-Y1563 VanDerWaalsContact O-N 3.09Å; H1561-R1564 PolarHBondContact O-N 2.94Å; H1561-S1565 PolarHBondContact CD2-OG 3.33Å; H1561-S1565 PolarHBondContact CE1-OG 2.9Å; H1561-S1565 PolarHBondContact ND1-OG 3.44Å; H1561-S1565 PolarHBondContact NE2-OG 2.86Å; H1561-S1565 VanDerWaalsContact NE2-OG 3.1Å; H1561-S1565 VanDerWaalsContact O-CB 3.27Å; H1561-S1565 WeakPolarHBondContact O-CB 3.3Å; H1561-S1565 PolarHBondContact O-N 2.9Å; H1561-S1565 VanDerWaalsContact O-N 3.13Å; H1561-S1565 PolarHBondContact O-OG 3.2Å
1562P76.2Confident64.2Low73 Ų7382.5 Ų82.547%0.47444%0.437SS..Hα-helixtrans-63.8-15.7176.7-21.334.7000114.9L1559 L1560L1559-P1562 WeakPolarHBondContact O-CD 3.37Å; L1560-P1562 VanDerWaalsContact C-CD 3.48Å
1563Y75Confident60.9Low76 Ų7693.3 Ų93.330%0.29848%0.478SS..Hα-helixtrans-105.1-33.2-177.6-63.4-79.4000113D1489 L1490 V1525 L1560 H1561D1489-Y1563 VanDerWaalsContact CA-OH 3.29Å; D1489-Y1563 WeakPolarHBondContact CA-OH 3.08Å; D1489-Y1563 PolarHBondContact N-OH 3.33Å; L1490-Y1563 HydrophobicContact CB-CD2 4.49Å; L1490-Y1563 HydrophobicContact CB-CE2 3.71Å; L1490-Y1563 PolarHBondContact N-OH 2.78Å; V1525-Y1563 HydrophobicContact CG1-CD1 3.64Å; V1525-Y1563 HydrophobicContact CG1-CE1 4.23Å; V1525-Y1563 HydrophobicContact CG1-CG 3.88Å; V1525-Y1563 HydrophobicContact CG2-CD1 4.4Å; V1525-Y1563 HydrophobicContact CG2-CD2 4.12Å; V1525-Y1563 HydrophobicContact CG2-CE2 4.37Å; V1525-Y1563 HydrophobicContact CG2-CG 4.14Å; L1560-Y1563 WeakPolarHBondContact O-CA 3.47Å; L1560-Y1563 PolarHBondContact O-N 3.38Å; H1561-Y1563 PolarHBondContact O-N 3.42Å; H1561-Y1563 VanDerWaalsContact O-N 3.09Å
1564R69.3Low58.3Low99 Ų9995.4 Ų95.437%0.37450%0.498SS..Hα-helixtrans-90-25.6-179-64.1-169.6-179.6-136.10.3113.8D1527 P1528 F1530 L1560 H1561 V1566D1527-R1564 PolarHBondContact O-NH2 3.4Å; P1528-R1564 PolarHBondContact O-NH1 3.06Å; F1530-R1564 PolarHBondContact O-NH2 2.96Å; L1560-R1564 HydrophobicContact CB-CG 4.49Å; L1560-R1564 PolarHBondContact O-N 3.22Å; H1561-R1564 PolarHBondContact O-N 2.94Å; R1564-V1566 PolarHBondContact O-N 2.99Å; R1564-V1566 VanDerWaalsContact O-N 3.09Å
1565S43.9Very low55.2Low64 Ų6497.9 Ų97.945%0.44851%0.507SS..G310 helixtrans-76.310.9-175.3-60.10000116.2H1561H1561-S1565 PolarHBondContact CD2-OG 3.33Å; H1561-S1565 PolarHBondContact CE1-OG 2.9Å; H1561-S1565 PolarHBondContact ND1-OG 3.44Å; H1561-S1565 PolarHBondContact NE2-OG 2.86Å; H1561-S1565 VanDerWaalsContact NE2-OG 3.1Å; H1561-S1565 VanDerWaalsContact O-CB 3.27Å; H1561-S1565 WeakPolarHBondContact O-CB 3.3Å; H1561-S1565 PolarHBondContact O-N 2.9Å; H1561-S1565 VanDerWaalsContact O-N 3.13Å; H1561-S1565 PolarHBondContact O-OG 3.2Å
1566V38.1Very low52.2Low105 Ų105102.7 Ų102.764%0.63653%0.534SS*.G310 helixtrans-78.4-19.6-176.2-178.90000113R1564 Q1568R1564-V1566 PolarHBondContact O-N 2.99Å; R1564-V1566 VanDerWaalsContact O-N 3.09Å; V1566-Q1568 PolarHBondContact O-N 2.77Å
1567N30.5Very low49.2Very low155 Ų155108.4 Ų108.483%0.82957%0.574SS**G310 helixtrans-89.210.8-167.4-79.77.8000116.8
1568Q28.5Very low46.4Very low164 Ų164112 Ų11277%0.76659%0.592SS**G310 helixtrans-117-6.4-176-70.3-166.64.200116.7V1566V1566-Q1568 PolarHBondContact O-N 2.77Å
1569N24.6Very low43.7Very low152 Ų152111 Ų11181%0.81359%0.594SS**SBendtrans-150.585.3179.4-90.1-57.2000114.1
1570T27.4Very low41.1Very low147 Ų147114.7 Ų114.790%0.90261%0.613SS**  trans-171.7134.5139.89.70000111.2
1571S24.3Very low38.6Very low75 Ų75119.6 Ų119.652%0.52463%0.632SS.*  trans-97.3162.6176.3-168.80000111.7
1572V24.5Very low36.6Very low97 Ų97119 Ų11959%0.58863%0.634SS**SBendtrans7173.6167.7-165.50000117.3
1573R25.7Very low35Very low226 Ų226119 Ų11985%0.85363%0.632SS**  173.4117.9113.6-96.2170.5-174-152.4-0.3112.1N1575R1573-N1575 PolarHBondContact O-N 3.32Å
1574P36.7Very low33.1Very low119 Ų119115.8 Ų115.877%0.77362%0.622SS**  trans-82.6110173.931.9-30.5000110.2
1575N24.7Very low31.7Very low113 Ų113113.9 Ų113.960%0.60463%0.627SS**  trans172.373.5151.7-95.8-47.1000111.3R1573 R1684R1573-N1575 PolarHBondContact O-N 3.32Å; N1575-R1684 PolarHBondContact OD1-NH1 3.07Å; N1575-R1684 PolarHBondContact OD1-NH2 3.36Å
1576D26.1Very low31.5Very low143 Ų143113.5 Ų113.577%0.76563%0.625SS**SBendtrans-167.8118142.1-98.2-21.1000111.2I1578D1576-I1578 PolarHBondContact O-N 3.16Å
1577S28.9Very low31.6Very low120 Ų120110.9 Ų110.984%0.83960%0.603SS**  trans33.569.7163.3-150.60000117.5M1579S1577-M1579 PolarHBondContact O-N 2.67Å
1578I29.8Very low32.2Very low156 Ų156105.3 Ų105.380%0.857%0.573SS**  trans-53.7138.2157.7-69.7175.2000107.9D1576 N1580D1576-I1578 PolarHBondContact O-N 3.16Å; I1578-N1580 VanDerWaalsContact C-N 3.27Å; I1578-N1580 PolarHBondContact O-N 3.13Å
1579M31Very low32.8Very low110 Ų110100 Ų10054%0.54256%0.557SS.*  trans-61.386.2179.3-70.4-80.7-133.500110.5R1468 L1526 S1577 Y1581R1468-M1579 PolarHBondContact NH2-SD 2.86Å; L1526-M1579 HydrophobicContact CD2-CE 4.12Å; S1577-M1579 PolarHBondContact O-N 2.67Å; M1579-Y1581 PolarHBondContact O-N 3.29Å; M1579-Y1581 VanDerWaalsContact O-N 3.11Å
1580N33.2Very low33.7Very low86 Ų8695.7 Ų95.746%0.4654%0.539SS..  trans-75.2106.8-173.8-167.911.1000109.3I1578 D1582 T1583I1578-N1580 VanDerWaalsContact C-N 3.27Å; I1578-N1580 PolarHBondContact O-N 3.13Å; N1580-D1582 PolarHBondContact O-N 2.87Å; N1580-D1582 WeakPolarHBondContact OD1-CB 3.34Å; N1580-D1582 PolarHBondContact OD1-N 2.76Å; N1580-T1583 PolarHBondContact ND2-OG1 3.38Å; N1580-T1583 WeakPolarHBondContact O-CA 3.33Å; N1580-T1583 VanDerWaalsContact O-CB 3.28Å; N1580-T1583 WeakPolarHBondContact O-CB 3.5Å; N1580-T1583 PolarHBondContact O-N 3.06Å
1581Y33Very low34.6Very low107 Ų10789.4 Ų89.442%0.4250%0.5SS..Hα-helixtrans-55.5-37172.3-103.2-93.6000111.2P1528 D1529 M1579 T1583 A1584 A1585P1528-Y1581 HydrophobicContact CB-CE2 4.07Å; P1528-Y1581 VanDerWaalsContact CB-OH 3.25Å; P1528-Y1581 WeakPolarHBondContact CB-OH 3.36Å; P1528-Y1581 HydrophobicContact CG-CE2 3.62Å; D1529-Y1581 PolarHBondContact N-OH 2.98Å; D1529-Y1581 WeakPolarHBondContact OD1-CE1 3.46Å; D1529-Y1581 PolarHBondContact OD1-OH 2.98Å; M1579-Y1581 PolarHBondContact O-N 3.29Å; M1579-Y1581 VanDerWaalsContact O-N 3.11Å; Y1581-T1583 PolarHBondContact O-N 2.88Å; Y1581-T1583 VanDerWaalsContact O-N 3.12Å; Y1581-A1584 PolarHBondContact O-N 2.89Å; Y1581-A1585 PolarHBondContact O-N 2.74Å
1582D36.7Very low34.8Very low112 Ų11291.1 Ų91.160%0.59950%0.5SS*.Hα-helixtrans-60.7-21.4172.9-64.4-27.9000111.7N1580 S1586N1580-D1582 PolarHBondContact O-N 2.87Å; N1580-D1582 WeakPolarHBondContact OD1-CB 3.34Å; N1580-D1582 PolarHBondContact OD1-N 2.76Å; D1582-S1586 WeakPolarHBondContact O-CA 3.4Å; D1582-S1586 WeakPolarHBondContact O-CB 3.5Å; D1582-S1586 PolarHBondContact O-N 2.86Å
1583T42.7Very low35.1Very low72 Ų7295.4 Ų95.444%0.44251%0.506SS..Hα-helixtrans-80.3-21.7172.2-60.10000113Y1460 N1580 Y1581 W1587Y1460-T1583 PolarHBondContact OH-O 2.86Å; N1580-T1583 PolarHBondContact ND2-OG1 3.38Å; N1580-T1583 WeakPolarHBondContact O-CA 3.33Å; N1580-T1583 VanDerWaalsContact O-CB 3.28Å; N1580-T1583 WeakPolarHBondContact O-CB 3.5Å; N1580-T1583 PolarHBondContact O-N 3.06Å; Y1581-T1583 PolarHBondContact O-N 2.88Å; Y1581-T1583 VanDerWaalsContact O-N 3.12Å; T1583-W1587 VanDerWaalsContact O-CB 3.26Å; T1583-W1587 WeakPolarHBondContact O-CB 3.39Å; T1583-W1587 PolarHBondContact O-N 3.36Å
1584A35.5Very low35.3Very low10 Ų1090 Ų908%0.08350%0.5CS..Hα-helixtrans-79.2-48.5168.400000110.9Y1460 Y1581 W1587 I1588Y1460-A1584 HydrophobicContact CE1-CB 3.72Å; Y1581-A1584 PolarHBondContact O-N 2.89Å; A1584-W1587 PolarHBondContact O-N 2.97Å; A1584-W1587 VanDerWaalsContact O-N 3.15Å; A1584-I1588 PolarHBondContact O-N 3.38Å
1585A40Very low34.7Very low58 Ų5893.2 Ų93.248%0.47950%0.504SS..Hα-helixtrans-62.9-45.2175.300000111.9Y1581 I1588 A1589Y1581-A1585 PolarHBondContact O-N 2.74Å; A1585-I1588 CarbonylContact O-C 3.58Å; A1585-I1588 WeakPolarHBondContact O-CA 3.31Å; A1585-I1588 WeakPolarHBondContact O-CB 3.3Å; A1585-I1588 PolarHBondContact O-N 3.49Å; A1585-A1589 WeakPolarHBondContact O-CB 3.41Å; A1585-A1589 PolarHBondContact O-N 3.31Å
1586S40.1Very low34.8Very low57 Ų5791.6 Ų91.640%0.39950%0.5SS..Hα-helixtrans-79-9172.3-163.30000113.5D1582 S1590D1582-S1586 WeakPolarHBondContact O-CA 3.4Å; D1582-S1586 WeakPolarHBondContact O-CB 3.5Å; D1582-S1586 PolarHBondContact O-N 2.86Å; S1586-S1590 WeakPolarHBondContact O-CA 3.46Å; S1586-S1590 WeakPolarHBondContact O-CB 3.41Å; S1586-S1590 PolarHBondContact O-N 3.18Å; S1586-S1590 PolarHBondContact O-OG 3.08Å; S1586-S1590 PolarHBondContact OG-OG 3.4Å; S1586-S1590 VanDerWaalsContact OG-OG 3.13Å
1587W40.4Very low34.8Very low50 Ų5089.1 Ų89.119%0.18950%0.499CS..Hα-helixtrans-67.7-57155.8-143.564.7000107.7L1436 Y1460 I1463 T1583 A1584 A1589 S1590 V1591L1436-W1587 WeakPolarHBondContact O-CH2 3.48Å; Y1460-W1587 HydrophobicContact CD2-CB 4.07Å; Y1460-W1587 AromaticContact CD2-CD2 3.67Å; Y1460-W1587 HydrophobicContact CD2-CD2 3.67Å; Y1460-W1587 AromaticContact CD2-CE3 3.39Å; Y1460-W1587 HydrophobicContact CD2-CE3 3.39Å; Y1460-W1587 AromaticContact CD2-CG 3.96Å; Y1460-W1587 HydrophobicContact CD2-CG 3.96Å; Y1460-W1587 HydrophobicContact CD2-CZ3 4.1Å; Y1460-W1587 HydrophobicContact CE2-CB 3.59Å; Y1460-W1587 AromaticContact CE2-CD2 3.79Å; Y1460-W1587 HydrophobicContact CE2-CD2 3.79Å; Y1460-W1587 HydrophobicContact CE2-CE3 4.01Å; Y1460-W1587 AromaticContact CE2-CG 3.6Å; Y1460-W1587 HydrophobicContact CE2-CG 3.6Å; Y1460-W1587 HydrophobicContact CG-CE3 4.3Å; I1463-W1587 HydrophobicContact CD1-CH2 4.3Å; T1583-W1587 VanDerWaalsContact O-CB 3.26Å; T1583-W1587 WeakPolarHBondContact O-CB 3.39Å; T1583-W1587 PolarHBondContact O-N 3.36Å; A1584-W1587 PolarHBondContact O-N 2.97Å; A1584-W1587 VanDerWaalsContact O-N 3.15Å; W1587-A1589 PolarHBondContact O-N 3.14Å; W1587-S1590 PolarHBondContact O-N 2.9Å; W1587-V1591 HydrophobicContact CD2-CG2 3.71Å; W1587-V1591 HydrophobicContact CE3-CG2 3.78Å; W1587-V1591 HydrophobicContact CG-CG2 4.19Å; W1587-V1591 HydrophobicContact CH2-CG2 4.31Å; W1587-V1591 HydrophobicContact CZ2-CG2 4.23Å; W1587-V1591 HydrophobicContact CZ3-CG2 4.09Å; W1587-V1591 WeakPolarHBondContact O-CB 3.45Å; W1587-V1591 WeakPolarHBondContact O-CG2 3.29Å; W1587-V1591 PolarHBondContact O-N 3.05Å
1588I42.1Very low34.6Very low38 Ų3890.2 Ų90.220%0.19549%0.486CS..Hα-helixtrans-55.5-26.9-180-65.8169000113.6L1457 A1584 A1585L1457-I1588 HydrophobicContact CD1-CD1 4.16Å; A1584-I1588 PolarHBondContact O-N 3.38Å; A1585-I1588 CarbonylContact O-C 3.58Å; A1585-I1588 WeakPolarHBondContact O-CA 3.31Å; A1585-I1588 WeakPolarHBondContact O-CB 3.3Å; A1585-I1588 PolarHBondContact O-N 3.49Å
1589A41.1Very low34.3Very low51 Ų5193.2 Ų93.242%0.42149%0.489SS..Hα-helixtrans-98.8-30.1175.400000115.4A1585 W1587 V1591 E1592A1585-A1589 WeakPolarHBondContact O-CB 3.41Å; A1585-A1589 PolarHBondContact O-N 3.31Å; W1587-A1589 PolarHBondContact O-N 3.14Å; A1589-V1591 PolarHBondContact O-N 2.95Å; A1589-E1592 WeakPolarHBondContact O-CA 3.3Å; A1589-E1592 WeakPolarHBondContact O-CB 3.24Å; A1589-E1592 PolarHBondContact O-N 2.9Å
1590S44.2Very low34Very low62 Ų6294.5 Ų94.543%0.43449%0.493SS..Hα-helixtrans-73.3-23.6169.3-63.40000111.8S1586 W1587 E1592 R1593S1586-S1590 WeakPolarHBondContact O-CA 3.46Å; S1586-S1590 WeakPolarHBondContact O-CB 3.41Å; S1586-S1590 PolarHBondContact O-N 3.18Å; S1586-S1590 PolarHBondContact O-OG 3.08Å; S1586-S1590 PolarHBondContact OG-OG 3.4Å; S1586-S1590 VanDerWaalsContact OG-OG 3.13Å; W1587-S1590 PolarHBondContact O-N 2.9Å; S1590-E1592 PolarHBondContact O-N 3.37Å; S1590-R1593 WeakPolarHBondContact O-CB 3.36Å; S1590-R1593 PolarHBondContact O-N 2.85Å
1591V45.5Very low33.7Very low15 Ų1596.6 Ų96.69%0.09150%0.504CS..THydrogen-bonded Turntrans-66.1-5.4165.1164.90000110.4T1440 K1441 W1587 A1589T1440-V1591 VanDerWaalsContact C-CG1 3.41Å; T1440-V1591 WeakPolarHBondContact CB-O 3.45Å; K1441-V1591 HydrophobicContact CB-CG1 3.81Å; K1441-V1591 VanDerWaalsContact CB-O 3.29Å; K1441-V1591 WeakPolarHBondContact CB-O 3.23Å; K1441-V1591 HydrophobicContact CG-CG1 4.43Å; K1441-V1591 PolarHBondContact N-O 3Å; W1587-V1591 HydrophobicContact CD2-CG2 3.71Å; W1587-V1591 HydrophobicContact CE3-CG2 3.78Å; W1587-V1591 HydrophobicContact CG-CG2 4.19Å; W1587-V1591 HydrophobicContact CH2-CG2 4.31Å; W1587-V1591 HydrophobicContact CZ2-CG2 4.23Å; W1587-V1591 HydrophobicContact CZ3-CG2 4.09Å; W1587-V1591 WeakPolarHBondContact O-CB 3.45Å; W1587-V1591 WeakPolarHBondContact O-CG2 3.29Å; W1587-V1591 PolarHBondContact O-N 3.05Å; A1589-V1591 PolarHBondContact O-N 2.95Å
1592E29.6Very low33.3Very low112 Ų112100.2 Ų100.252%0.52353%0.525SS..THydrogen-bonded Turntrans-101.718.1167.6-149.7150.9-131.100113.2K1441 A1589 S1590K1441-E1592 HydrophobicContact CD-CB 4.14Å; K1441-E1592 HydrophobicContact CD-CG 4.06Å; K1441-E1592 WeakPolarHBondContact CD-OE1 3.48Å; K1441-E1592 WeakPolarHBondContact CE-OE1 3.33Å; K1441-E1592 IonicContact NZ-OE1 3.49Å; K1441-E1592 PolarHBondContact NZ-OE1 3.19Å; K1441-E1592 IonicContact NZ-OE2 2.74Å; K1441-E1592 PolarHBondContact NZ-OE2 3.17Å; A1589-E1592 WeakPolarHBondContact O-CA 3.3Å; A1589-E1592 WeakPolarHBondContact O-CB 3.24Å; A1589-E1592 PolarHBondContact O-N 2.9Å; S1590-E1592 PolarHBondContact O-N 3.37Å
1593R30.2Very low32.7Very low187 Ų187102.5 Ų102.571%0.70653%0.53SS*.PPolyproline II helixtrans-49.5132.5174.2-110.9-169.8-174.1-142.22.2111.8S1590S1590-R1593 WeakPolarHBondContact O-CB 3.36Å; S1590-R1593 PolarHBondContact O-N 2.85Å
1594P29.7Very low31.9Very low112 Ų112108.4 Ų108.473%0.72755%0.553SS**PPolyproline II helixtrans-57.5158.4161.1-22.134000111.3P1596P1594-P1596 WeakPolarHBondContact O-CD 3.5Å
1595E23.7Very low31.5Very low187 Ų187114.4 Ų114.487%0.87459%0.588SS**PPolyproline II helixtrans-58.2120.2-179.7-70.6-167150.100111.2A1597E1595-A1597 PolarHBondContact O-N 3.08Å
1596P28.1Very low30.9Very low79 Ų79115.4 Ų115.451%0.51360%0.604SS.*PPolyproline II helixtrans-71.3126.516829.9-31.4000108.4P1594 Y1598P1594-P1596 WeakPolarHBondContact O-CD 3.5Å; P1596-Y1598 PolarHBondContact O-N 3.24Å
1597A25.1Very low30.1Very low90 Ų90120.4 Ų120.474%0.74463%0.627SS**PPolyproline II helixtrans-56.3122.5170.100000109.1E1595 Y1599E1595-A1597 PolarHBondContact O-N 3.08Å; A1597-Y1599 PolarHBondContact O-N 3.32Å
1598Y25.7Very low29.5Very low144 Ų144122.1 Ų122.157%0.56565%0.652SS**  trans-70.6114.6-179.5-84.4-110.7000109.1E1341 R1360 P1596 E1600E1341-Y1598 HydrophobicContact CB-CD1 4.28Å; E1341-Y1598 HydrophobicContact CB-CE1 4.14Å; E1341-Y1598 HydrophobicContact CG-CE1 4.33Å; R1360-Y1598 PolarHBondContact NH2-OH 2.96Å; P1596-Y1598 PolarHBondContact O-N 3.24Å; Y1598-E1600 PolarHBondContact O-N 2.81Å
1599Y22.3Very low28.6Very low219 Ų219128.9 Ų128.986%0.85969%0.687SS**  trans-66.6129.8167.3-96.9-98.2000109.9A1597A1597-Y1599 PolarHBondContact O-N 3.32Å
1600E25.9Very low27.9Very low137 Ų137129.7 Ų129.764%0.6470%0.701SS**  trans-99.1105.9-175.8-171.2159.8-144.600109.3Y1598 Q1602Y1598-E1600 PolarHBondContact O-N 2.81Å; E1600-Q1602 PolarHBondContact O-N 3.44Å; E1600-Q1602 VanDerWaalsContact O-N 3.16Å
1601N25.8Very low27Very low129 Ų129132 Ų13269%0.6972%0.716SS**  trans-76100.7-177.2-72.8-22.1000111F1603N1601-F1603 HydrophobicContact CB-CD2 4.25Å; N1601-F1603 HydrophobicContact CB-CE2 4.01Å; N1601-F1603 PolarHBondContact O-N 3.11Å
1602Q24.8Very low26Very low183 Ų183138.9 Ų138.986%0.85575%0.753SS**  trans-82104.5165.5-69.3-171.6-10.400110E1600E1600-Q1602 PolarHBondContact O-N 3.44Å; E1600-Q1602 VanDerWaalsContact O-N 3.16Å
1603F24Very low25.8Very low160 Ų160139.2 Ų139.270%0.70277%0.768SS**  trans-87.1120.4166-74.3-92.2000109.4N1601N1601-F1603 HydrophobicContact CB-CD2 4.25Å; N1601-F1603 HydrophobicContact CB-CE2 4.01Å; N1601-F1603 PolarHBondContact O-N 3.11Å
1604E25.3Very low25.5Very low197 Ų197135.1 Ų135.192%0.92177%0.768SS**  trans-109.6137.9155.4-70-154.9144.400109.9
1605T28.6Very low25.2Very low135 Ų135140.8 Ų140.883%0.82878%0.776SS**  trans-105.3129.5-171.651.40000111.3
1606G26.3Very low25.6Very low79 Ų79142.2 Ų142.281%0.81477%0.774SS**  trans-142.4107.5172.800000112.3
1607D24.8Very low25.6Very low163 Ų163143.5 Ų143.587%0.87278%0.782SS**  trans-74.1147.5172.6-60.7-77.3000112.1
1608A25.9Very low25.5Very low86 Ų86143.6 Ų143.671%0.71178%0.777SS**  171.8112117.200000116.1
1609L25.1Very low25.4Very low179 Ų179142.1 Ų142.194%0.93778%0.783SS**  57.6112.9126.3-57.9171.9000122.9
1610G24.8Very low25.5Very low69 Ų69139.4 Ų139.471%0.71178%0.779SS**  trans99.4154.7134.800000118
1611S25Very low25.3Very low109 Ų109141.3 Ų141.376%0.76279%0.787SS**  cis-167.6149.9-11.453.20000111.2
1612D24.5Very low25.5Very low160 Ų160144.6 Ų144.686%0.85680%0.798SS**  trans36.9125.1156.9-63.8-20.3000121.3
1613S26.2Very low25.4Very low120 Ų120144 Ų14484%0.83980%0.796SS**  -171.4162.491.9-165.40000112.5
1614S23.6Very low25.5Very low101 Ų101148.3 Ų148.371%0.70681%0.807SS**  trans-117.7151.9-173.869.40000112.6
1615Y23.7Very low25.5Very low230 Ų230147.7 Ų147.790%0.90280%0.804SS**  trans-143.6143.4156.8-112.8-80.9000113.1
1616R32.4Very low25.4Very low218 Ų218144.6 Ų144.682%0.82380%0.798SS**  trans-155.6123-176.4175.7-156.6173-162.90.2111.4
1617P28.9Very low25.4Very low106 Ų106148.9 Ų148.969%0.68880%0.801SS**  trans-124.6147.2140.63.719.3000110.7
1618S22.1Very low25.3Very low91 Ų91146 Ų14664%0.63679%0.794SS**  74.8136.858.4-53.30000112.1
1619T24Very low25.3Very low113 Ų113153.2 Ų153.269%0.69380%0.802SS**  cis-164.4167.79-4.80000112.3
1620Q22.9Very low25.3Very low163 Ų163151.7 Ų151.776%0.76280%0.795SS**  trans59.2115.9153.4-70.1158.1-11.900118.6
1621Q22.3Very low25.4Very low177 Ų177155.3 Ų155.383%0.82780%0.797SS**  65.3112.769.9-71.8-169-13.400116
1622H29.6Very low25.7Very low197 Ų197156 Ų15691%0.91280%0.796SS**  trans-150.6157.1139-102.6-70.1000110.8
1623Q23.3Very low26.5Very low172 Ų172151.7 Ų151.780%0.80478%0.777SS**  trans-104155.3-170.5-57.4161.5-28.200112.4
1624R26.9Very low26.4Very low249 Ų249153.9 Ų153.994%0.9478%0.777SS**  trans-166.1169.6134.8-110166.3-170.5-147.30.1113.9
1625H24.2Very low26.5Very low185 Ų185154.2 Ų154.286%0.85678%0.779SS**  trans-120.3164.7-170.8-58-65.8000112.8
1626G26.7Very low26.7Very low69 Ų69151.7 Ų151.771%0.71178%0.776SS**  trans146.475.9169.900000112.1
1627I25.8Very low26.4Very low169 Ų169146.8 Ų146.887%0.86778%0.775SS**  76.9125.483.8-64.4176.2000113.9
1628S24.4Very low26.4Very low103 Ų103147 Ų14772%0.7278%0.779SS**  trans-73.1164.6-165-34.30000117.1
1629R25.5Very low26.6Very low238 Ų238151 Ų15190%0.89879%0.793SS**  trans-132.5140.1141.4-81.4-171.3169.9171.2-2.5110.9
1630N24.2Very low26.7Very low146 Ų146148.4 Ų148.478%0.78179%0.789SS**  trans-99.5142.6172.3-61.3-27.8000109.7
1631I28Very low27.1Very low146 Ų146144.1 Ų144.175%0.74978%0.781SS**  trans-138.2147.2147.8-62.5-172.9000108
1632V30.6Very low27.3Very low124 Ų124140.9 Ų140.975%0.75278%0.776SS**  trans-141.7134.1-176.5168.40000104.1
1633P41.6Very low27.2Very low68 Ų68137 Ų13744%0.44277%0.768SS.*  -161158.790.542.2-21.1000120.7M262M262-P1633 HydrophobicContact CE-CG 3.52Å
1634I24.7Very low27.5Very low167 Ų167134 Ų13486%0.85676%0.756SS**  trans72.8161138.9-70.8167.1000118.7
1635S25.5Very low27.3Very low107 Ų107127.2 Ų127.275%0.74875%0.745SS**  trans-135.9150.4-15354.20000112.2
1636E26.1Very low27.5Very low178 Ų178126 Ų12683%0.83274%0.743SS**  trans-138.9160.1163.8-143.5168.6-125.800111.4
1637S27.9Very low27.4Very low115 Ų115130.6 Ų130.680%0.80474%0.739SS**  trans-98.4134.8-16356.80000113.9
1638S27.4Very low27.4Very low110 Ų110126.6 Ų126.677%0.76973%0.731SS**  trans-135.1127.9164.3510000111.4G1640S1638-G1640 PolarHBondContact O-N 3.35Å
1639N27.9Very low27.6Very low175 Ų175128.6 Ų128.694%0.93673%0.729SS**  trans-81.851.6-179.3-74-36.9000111.9
1640G26.1Very low27.7Very low59 Ų59126.8 Ų126.861%0.60872%0.722SS**PPolyproline II helixtrans-73.4134.7168.800000110.5S1638S1638-G1640 PolarHBondContact O-N 3.35Å
1641A30.7Very low27.8Very low72 Ų72127.2 Ų127.260%0.59573%0.725SS**PPolyproline II helixtrans-58.6129.6166.900000108.6
1642P26.6Very low27.9Very low109 Ų109126.1 Ų126.171%0.70873%0.725SS**PPolyproline II helixtrans-63128-173.124.1-33.2000109.8I1644P1642-I1644 PolarHBondContact O-N 3.14Å
1643P27.8Very low27.8Very low116 Ų116128.5 Ų128.575%0.75373%0.728SS**PPolyproline II helixtrans-59139.2-178.724.2-33.7000109.8P1645P1643-P1645 WeakPolarHBondContact O-CD 3.35Å
1644I28.3Very low27Very low108 Ų108136.5 Ų136.555%0.55475%0.749SS**  trans-50.4115-172.9-61.2174.1000109.1P1642 I1646P1642-I1644 PolarHBondContact O-N 3.14Å; I1644-I1646 PolarHBondContact O-N 2.8Å
1645P24.3Very low27.3Very low108 Ų108140.3 Ų140.370%0.70175%0.753SS**  trans-70.291.7-173.7-2335.4000111.9P1643 R1647P1643-P1645 WeakPolarHBondContact O-CD 3.35Å; P1645-R1647 PolarHBondContact O-N 2.93Å
1646I26.3Very low27.2Very low160 Ų160145.5 Ų145.582%0.82176%0.757SS**  trans-52.8130163.2-59.8176.3000107I1644 A1648I1644-I1646 PolarHBondContact O-N 2.8Å; I1646-A1648 VanDerWaalsContact C-N 3.28Å; I1646-A1648 PolarHBondContact O-N 3.47Å
1647R25Very low27.4Very low164 Ų164142.8 Ų142.862%0.61976%0.755SS**  trans-66.873.2-161.4-169.9177.4179131.7-2.9113.5D1472 P1645 Q1649D1472-R1647 IonicContact OD2-CZ 2.67Å; D1472-R1647 IonicContact OD2-NH1 3.71Å; D1472-R1647 PolarHBondContact OD2-NH1 2.96Å; D1472-R1647 IonicContact OD2-NH2 3.86Å; P1645-R1647 PolarHBondContact O-N 2.93Å; R1647-Q1649 PolarHBondContact O-N 3.23Å
1648A27.1Very low27.4Very low85 Ų85143.6 Ų143.670%0.70276%0.755SS**  trans-54.1128165.700000109I1646 R1650I1646-A1648 VanDerWaalsContact C-N 3.28Å; I1646-A1648 PolarHBondContact O-N 3.47Å; A1648-R1650 PolarHBondContact O-N 2.95Å
1649Q27.9Very low27.1Very low146 Ų146143.2 Ų143.268%0.68275%0.752SS**  trans-60.4111.7-169.2-68.2177.7-18.600110.7R1647 N1651R1647-Q1649 PolarHBondContact O-N 3.23Å; Q1649-N1651 PolarHBondContact O-N 2.94Å
1650R27.8Very low27Very low199 Ų199140.8 Ų140.875%0.75174%0.744SS**  trans-67.999177.3-77.3-172.3178.7167.43.7110.1A1648 T1652A1648-R1650 PolarHBondContact O-N 2.95Å; R1650-T1652 HydrophobicContact CB-CG2 4.12Å; R1650-T1652 PolarHBondContact O-N 3.04Å
1651N27Very low27Very low156 Ų156142.9 Ų142.983%0.83475%0.749SS**  trans-65.696.3158.2-84.1-23.7000108.6Q1649 E1653Q1649-N1651 PolarHBondContact O-N 2.94Å; N1651-E1653 PolarHBondContact O-N 3.43Å
1652T29.6Very low26.7Very low122 Ų122148.2 Ų148.275%0.74876%0.762SS**  trans-78.860.3-174.956.70000112.7R1650R1650-T1652 HydrophobicContact CB-CG2 4.12Å; R1650-T1652 PolarHBondContact O-N 3.04Å
1653E27.3Very low26.7Very low175 Ų175150.8 Ų150.882%0.81877%0.769SS**  trans-116.485.1174.9-70-161.5169.900112.3N1651N1651-E1653 PolarHBondContact O-N 3.43Å
1654R26.5Very low26.6Very low236 Ų236150.8 Ų150.889%0.89177%0.767SS**  trans-16789.5150.7-105156.8-157.5-117.73109.9
1655R29.5Very low26.4Very low247 Ų247151.3 Ų151.393%0.93278%0.775SS**PPolyproline II helixtrans-70.8127.2158-77.4-178.9174.4166-1.1107.7
1656Y24.2Very low26.6Very low216 Ų216152.9 Ų152.985%0.84778%0.778SS**PPolyproline II helixtrans-69.7124.4161.1-74.8-94.3000108.1
1657P30Very low26.6Very low121 Ų121150.3 Ų150.379%0.78677%0.774SS**PPolyproline II helixtrans-79.5126.4-174.130.3-33.5000111.4S1659P1657-S1659 PolarHBondContact O-N 3.05Å
1658T27.4Very low26.7Very low132 Ų132151.1 Ų151.181%0.8179%0.785SS**PPolyproline II helixtrans-72.5123.9172.8-46.30000110.2T1660T1658-T1660 PolarHBondContact O-N 2.92Å
1659S22.5Very low26.8Very low101 Ų101154.8 Ų154.871%0.70679%0.793SS**PPolyproline II helixtrans-61.3128.9170.6-48.60000111.6P1657P1657-S1659 PolarHBondContact O-N 3.05Å
1660T24.8Very low26.7Very low125 Ų125157 Ų15777%0.76780%0.803SS**  163.9157.2104.9-70.20000110.5T1658T1658-T1660 PolarHBondContact O-N 2.92Å
1661S25.8Very low26.9Very low102 Ų102153.1 Ų153.171%0.71380%0.804SS**  trans82.885.1170.9-56.40000118.5
1662Q24.1Very low27.1Very low184 Ų184151.6 Ų151.686%0.8680%0.802SS**  42111.6128.6-59.6175.2-100119.5
1663L28.4Very low26.9Very low163 Ų163154.4 Ų154.485%0.85381%0.812SS**  -17397.8114.5-98.5162.2000112.6
1664T24.2Very low27Very low116 Ų116153.3 Ų153.371%0.71281%0.811SS**  46.4103.8127.4-46.40000121
1665V24.3Very low27Very low120 Ų120146 Ų14673%0.72780%0.802SS**  trans90.6143.4134.8168.40000121.6
1666N29.6Very low26.9Very low141 Ų141142 Ų14275%0.75480%0.799SS**  trans73.183.8166-73.1-11.1000120.9
1667S25Very low27Very low106 Ų106138.8 Ų138.874%0.74180%0.795SS**  35.7141.6105.7-53.20000121.9
1668Q26.7Very low26.8Very low180 Ų180138.4 Ų138.484%0.84180%0.796SS**  trans68.692.3163.2-66.6178.6-28.800117.5
1669N30.8Very low26.7Very low163 Ų163143.4 Ų143.487%0.87280%0.8SS**  -172.5130.8110.7-92.3-36.2000112.1
1670Q25.7Very low26.9Very low193 Ų193145.9 Ų145.990%0.90281%0.805SS**PPolyproline II helixtrans-101.1129.6164.8-76.8-178.2-29.400109.5
1671P31.8Very low26.9Very low117 Ų117146.8 Ų146.876%0.7680%0.804SS**PPolyproline II helixtrans-96.1147.815133.8-27.8000110.5
1672P30.7Very low27Very low124 Ų124150.7 Ų150.781%0.80581%0.811SS**PPolyproline II helixtrans-84.3150-169.432.8-36000114.2N1674P1672-N1674 PolarHBondContact O-N 3.36Å
1673L25.5Very low27.2Very low181 Ų181151.5 Ų151.595%0.94881%0.808SS**PPolyproline II helixtrans-61125.1161.5-70.7160.6000109.6
1674N28.6Very low27Very low151 Ų151151.6 Ų151.681%0.80780%0.797SS**  trans-107.3104.3165.6-167.31.7000109.1P1672P1672-N1674 PolarHBondContact O-N 3.36Å
1675A27.6Very low27.1Very low84 Ų84153.1 Ų153.169%0.69480%0.801SS**  trans-90.1111.1179.500000110.1
1676N28Very low27.1Very low162 Ų162152.2 Ų152.287%0.86681%0.806SS**  trans-157.175.1158.5-100.7-35.3000110.2
1677L26.5Very low27Very low148 Ų148148.9 Ų148.978%0.77581%0.805SS**  trans-150.168.3176.5-141.5176.7000110.2
1678S24.6Very low26.9Very low114 Ų114152.3 Ų152.380%0.79781%0.811SS**  trans-17080.1167.2-84.90000113.1
1679R24.9Very low26.9Very low237 Ų237148.8 Ų148.889%0.89481%0.805SS**  168.2102.9127.7-94.3174.9175.9173.5-1.1111.5
1680N27.7Very low26.8Very low152 Ų152149 Ų14981%0.81381%0.807SS**  -15597.3102.2-99.8-17.8000110.3
1681L25.5Very low27Very low145 Ų145145.4 Ų145.476%0.75979%0.793SS**  trans-116.897.6153.3-90.9171.5000105.7
1682Q27.3Very low26.8Very low183 Ų183144.9 Ų144.986%0.85578%0.784SS**  trans-137.1112.7160.3-126.9174.8-10.600106.8
1683Y28.4Very low26.6Very low202 Ų202150.3 Ų150.379%0.79279%0.79SS**  trans-64.8137.1175.6-85.9-109.2000109.3
1684R24.1Very low26.5Very low165 Ų165145.9 Ų145.962%0.62378%0.775SS**  trans-149.5142.1136.5-122.1173.9-174-132.6-17.2111.4N1575N1575-R1684 PolarHBondContact OD1-NH1 3.07Å; N1575-R1684 PolarHBondContact OD1-NH2 3.36Å
1685N25.8Very low26.4Very low148 Ų148146.1 Ų146.179%0.79177%0.769SS**  trans-89127.8-174.9-46.9-51.3000110
1686A25.3Very low26.3Very low100 Ų100149.2 Ų149.283%0.82677%0.773SS**  trans178.2154.8138.800000109.2M1688A1686-M1688 PolarHBondContact O-N 2.76Å
1687G25.6Very low26.3Very low71 Ų71148.4 Ų148.473%0.73276%0.763SS**  trans69.231.6147.400000119.2C1689G1687-C1689 PolarHBondContact O-N 3.47Å
1688M24.6Very low26.4Very low178 Ų178148.1 Ų148.188%0.87776%0.763SS**  trans-81.874.7145.8-76.1-99.565.300107.8A1686A1686-M1688 PolarHBondContact O-N 2.76Å
1689C25.6Very low26.6Very low107 Ų107149.5 Ų149.572%0.72376%0.756SS**  trans-67.7144.5145-74.80000107G1687 D1691G1687-C1689 PolarHBondContact O-N 3.47Å; C1689-D1691 PolarHBondContact O-N 3.21Å
1690D29.3Very low26.9Very low168 Ų168144.1 Ų144.190%0.89875%0.752SS**  trans-62.7124.8168.4-56.1-88.1000109.1
1691D30Very low27.6Very low116 Ų116139.9 Ų139.962%0.6273%0.734SS**  trans-136.3126.4152.2-145.1-7.4000108.9C1689C1689-D1691 PolarHBondContact O-N 3.21Å
1692N26.5Very low28.2Very low107 Ų107140.2 Ų140.257%0.57273%0.732SS**  trans62.2120.1173.1-52.9-65.4000116.2
1693Y26.3Very low28.5Very low238 Ų238137 Ų13793%0.93372%0.72SS**  cis54.324.219.9-97.7-68.2000115.8
1694S24.5Very low29.1Very low88 Ų88134.2 Ų134.262%0.61572%0.715SS**  trans-109122.9153.263.50000107.2
1695F25.4Very low30.1Very low156 Ų156135.9 Ų135.968%0.68472%0.721SS**  cis-114.2160.814.5-106.6-128.9000110.4H1697F1695-H1697 HydrophobicContact CD1-CB 4.36Å; F1695-H1697 HydrophobicContact CE1-CB 4.02Å; F1695-H1697 HydrophobicContact CZ-CB 4.45Å
1696L26.4Very low30.8Very low148 Ų148137.9 Ų137.978%0.77572%0.717SS**  cis-122.7119.546.5-68.3167000114.6N1698L1696-N1698 PolarHBondContact O-N 3.16Å
1697H27.1Very low31.5Very low145 Ų145139.2 Ų139.267%0.67171%0.71SS**  trans-61.2125.9134.1-99.5-93.7000108.5F1695F1695-H1697 HydrophobicContact CD1-CB 4.36Å; F1695-H1697 HydrophobicContact CE1-CB 4.02Å; F1695-H1697 HydrophobicContact CZ-CB 4.45Å
1698N29.3Very low32.4Very low143 Ų143144.2 Ų144.277%0.76571%0.712SS**  trans-176.7112.7132.8-91.6-25.1000111.8L1696L1696-N1698 PolarHBondContact O-N 3.16Å
1699E30Very low33Very low142 Ų142144.7 Ų144.766%0.66471%0.709SS**  trans47.282.8148.9-77.4-70.3122.500118.5S1701E1699-S1701 PolarHBondContact O-N 3.37Å; E1699-S1701 VanDerWaalsContact OE2-CB 3.3Å; E1699-S1701 WeakPolarHBondContact OE2-CB 3.42Å; E1699-S1701 PolarHBondContact OE2-OG 3.49Å
1700P30Very low33.3Very low125 Ų125149 Ų14981%0.81273%0.725SS**  trans-72.131.8170.232.3-35.8000114.4Q1702P1700-Q1702 PolarHBondContact O-N 3.15Å
1701S41.7Very low33.5Very low62 Ų62148.1 Ų148.143%0.43472%0.716SS.*THydrogen-bonded Turntrans-89.52.6-166.1-58.10000115.6E1699E1699-S1701 PolarHBondContact O-N 3.37Å; E1699-S1701 VanDerWaalsContact OE2-CB 3.3Å; E1699-S1701 WeakPolarHBondContact OE2-CB 3.42Å; E1699-S1701 PolarHBondContact OE2-OG 3.49Å
1702Q39.7Very low33.6Very low152 Ų152149.8 Ų149.871%0.7172%0.721SS**THydrogen-bonded Turntrans-108.7-33-173.3-73.2-85.8-4.300114.4P1700 R1705P1700-Q1702 PolarHBondContact O-N 3.15Å; Q1702-R1705 PolarHBondContact O-N 3.03Å
1703L33.6Very low34Very low116 Ų116152.2 Ų152.261%0.60773%0.729SS**THydrogen-bonded Turntrans-78.1-31.9-172.6-164.167000112.9R1705 R1706 L1707L1703-R1705 PolarHBondContact O-N 3.07Å; L1703-R1706 HydrophobicContact CD1-CB 4.45Å; L1703-R1706 WeakPolarHBondContact O-CA 3.49Å; L1703-R1706 WeakPolarHBondContact O-CB 3.45Å; L1703-R1706 PolarHBondContact O-N 3.49Å; L1703-L1707 PolarHBondContact O-N 3.21Å; L1703-L1707 VanDerWaalsContact O-N 3.08Å
1704E41.2Very low34.5Very low144 Ų144147.1 Ų147.167%0.67372%0.717SS**THydrogen-bonded Turntrans-62.4-28.7175.1-157.5-175.5-150.100112.1R1706 L1707 K1708E1704-R1706 VanDerWaalsContact C-N 3.28Å; E1704-R1706 PolarHBondContact O-N 3.37Å; E1704-L1707 PolarHBondContact O-N 3.27Å; E1704-K1708 PolarHBondContact O-N 3.48Å
1705R44Very low35.1Very low199 Ų199150.8 Ų150.875%0.75172%0.724SS**THydrogen-bonded Turntrans-72-16.3170.9-66.6-172.3179.9-167.40.7114Q1702 L1703Q1702-R1705 PolarHBondContact O-N 3.03Å; L1703-R1705 PolarHBondContact O-N 3.07Å
1706R40.9Very low35.8Very low190 Ų190150.5 Ų150.572%0.71773%0.726SS**THydrogen-bonded Turntrans-90.7-33.5171.8-81.4-175.3161.8-179.6-5.2112.6L1703 E1704 K1708 K1709 N1710L1703-R1706 HydrophobicContact CD1-CB 4.45Å; L1703-R1706 WeakPolarHBondContact O-CA 3.49Å; L1703-R1706 WeakPolarHBondContact O-CB 3.45Å; L1703-R1706 PolarHBondContact O-N 3.49Å; E1704-R1706 VanDerWaalsContact C-N 3.28Å; E1704-R1706 PolarHBondContact O-N 3.37Å; R1706-K1708 PolarHBondContact O-N 2.95Å; R1706-K1709 PolarHBondContact O-N 3.31Å; R1706-N1710 PolarHBondContact O-N 3.47Å; R1706-N1710 VanDerWaalsContact O-N 3.17Å
1707L39.6Very low36.4Very low129 Ų129150.6 Ų150.668%0.67572%0.723SS**THydrogen-bonded Turntrans-776171.6-74168.4000114.4L1703 E1704L1703-L1707 PolarHBondContact O-N 3.21Å; L1703-L1707 VanDerWaalsContact O-N 3.08Å; E1704-L1707 PolarHBondContact O-N 3.27Å
1708K44.4Very low37.1Very low176 Ų176151.1 Ų151.177%0.76573%0.727SS**THydrogen-bonded Turntrans-112.319.6160.7-77.4-178.9174.7168.20112.7E1704 R1706E1704-K1708 PolarHBondContact O-N 3.48Å; R1706-K1708 PolarHBondContact O-N 2.95Å
1709K38.3Very low37.8Very low187 Ų187151.8 Ų151.881%0.81372%0.724SS**THydrogen-bonded Turntrans-139.6-4.2176.6-124-177.2-177.6-175.70115.7R1706R1706-K1709 PolarHBondContact O-N 3.31Å
1710N30.5Very low38.5Very low199 Ų199152.6 Ų152.6100%1.06473%0.729SS**  trans-111.90148.5-69.5-6.5000107.4R1706R1706-N1710 PolarHBondContact O-N 3.47Å; R1706-N1710 VanDerWaalsContact O-N 3.17Å

Retrieved 1,710 of 1,710 residues in 241.4 ms (Link to these results)