A0A5K4F0U4_SCHMA Loading...

Liprin-alpha-1

AlphaFold DB , UniProt , Accession A0A5K4F0U4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,720 aa.

>A0A5K4F0U4_SCHMA|A0A5K4F0U4
MICDVMPTINEDIGSQGDRDSLVSADGTNVEDMLLSMLDERDRLMEGLRESQEQVNETRTRLSEVERERDKLHAQLSAKMPQDVVEMSKKLTEVEEQLIERCDEIDDLKAERNNMKILLEHLENLVARHEKSLRMTVVKRHTSTAMSNSTNSLIPGGTMADGETVCSEMDILNSSPNYSMNATTGSTSPSMAGLGSEVEVLKALKSLFEHHKVLDEKVHNRLRVSQNKVTDLENELFELKRSKINSSSTANICNDNNIHRTMISSETQVDKDFIKDVDTDIKNNPDQIQKLSLKETASLPKGSVEISKSSELLSSSPVLNASLSNLFYGSASAAALEAANRIKELQENLEQRASELLAARRQVIELTSRSRESSNSLSLAQSELNRANDQIERLTRELRESEQRRTDQESLATSLEQRYLVAQRELNTAQDMTDKLRAELAFKSTQLKQQEEKVRTLQIKLDTVEDDLLQSRSLSNHFLTKSLKTKYINDEVDIDDDEDEDEDDINAGTEYNEENACSDESNPELLNKQISEGELEQENDSITDLENKRIRKIKSIRSALKRNHYSRRIIQQEWNSYEDHVKELTDEIEEVRQELTRAKEREIINEEHITRLSGTVDKLLQESNERLQNHLQERMSALEQKQNLSNQVEQIKRALETAIREREANITESMLLRQKLSELAAAFRYSQAQLAIAHTSTSAAQATIMALAKASAEKVNMERLQQQHNTDISLQNSVCPSSVVEKYETEQSSPIDFISRLITNTWIHSQANNNSDQPIEMNLDGELNNIQSLPNTNNDNNNNNNMITLYQSNELQEMLTRQNLMNFNDPSLQLNHDTVNQLSLNDVFNFMKMKQLPNATSQHNIQESATDSTTDPQSLAYMLKNQLDAINNEIKLIQHEKATTEMLADELKGRFGTTDINVHNINNEFKTKNQYADSRPIGNDGNNNNQADRNGNLTLHDLLHSSEPSALASLSNFNYRTTTATTQMNTDIYQNPSVSYTQKFPTTYTLTPHPSYLGYDTRLHASIMNPMAIRQTGQSKLYSQGVIIPNPRYTSDHNVIFSTGTTQLPTLSNFHGVDYSMRRAQNDPSKTTYDNAVTTRTISGTQDDLGNTECTDSSQRENERKRSIFGTLGRMFKRPNPVNVTNSQNQVESTLKSVASSNQQPPLRFHSNQLTHPSCQYQVYNIPQSTSVHRSDERNRLANVVYSSQDSGFSNITHFNRLVYPNNFSQYHVQEGTSRYSPRPPSHHSYFGKAKSGIYSADVSANQEQSAIQQSAVSHTMNAQAALGPKQTLEDRQKSQKLLLEDAIRSNLPFTSWSSPILVSWLKLWVGMPAWYVAACEANIKSGAMLASLSEQDIQRELGIRNPLHRLKLRLAVHEMLAFTASLTGTTPNSTKNGETSTSMKQLHLASPLIKGELNHEWIGNVWLPSLGLARYRSSFMECLVDARMLSHLTKRDLRIHLKMVDQFHRLSLYYGIMCLKRLDYDRSEIERRREACQNSLNDLLVWSNDRVIAWLKSIGLNEYAKNLIDSGVHGALMVLDPDFDANSFALILQIPNSDVQMRHKLECELNRLLHPYRSVNQNTSVRPNDSIMNYDTAASWIASVERPEPAYYENQFETGDALGSDSSYRPSTQQHQRHGISRNIVPISESSNGAPPIPIRAQRNTERRYPTSTSQLTVNSQNQPPLNANLSRNLQYRNAGMCDDNYSFLHNEPSQLERRLKKN
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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
1M35.4Very low35.5Very low225 Ų225147.1 Ų147.1100%1.10880%0.795SS**  0125.30-68.4172.6-107.500106.3
2I35.9Very low35.4Very low159 Ų159147.9 Ų147.982%0.81580%0.799SS**  trans-145.826.8-161.3-162.3163.9000112.3
3C38Very low35.3Very low95 Ų95148.2 Ų148.264%0.64280%0.797SS**  trans-119.9-23.2-166.5-55.90000114.8V5C3-V5 PolarHBondContact O-N 3.29Å; C3-V5 VanDerWaalsContact O-N 3.08Å
4D36Very low35.1Very low152 Ų152140.6 Ų140.681%0.81377%0.771SS**SBendtrans-85.927-173.7-55-38.5000113.7
5V39Very low35.2Very low137 Ų137137 Ų13783%0.8376%0.76SS**  trans-124.662.8166.1-169.70000108.7C3C3-V5 PolarHBondContact O-N 3.29Å; C3-V5 VanDerWaalsContact O-N 3.08Å
6M32.6Very low35.2Very low155 Ų155133.8 Ų133.876%0.76474%0.738SS**  trans-95.5115153.1-95.4-152.57000108.6T8M6-T8 PolarHBondContact O-N 2.69Å; M6-T8 VanDerWaalsContact O-N 3.14Å
7P34Very low35.2Very low100 Ų100129.1 Ų129.165%0.64973%0.727SS**  trans-72.6104.316729.7-30.9000108.5I9P7-I9 VanDerWaalsContact C-N 3.28Å; P7-I9 PolarHBondContact O-N 2.97Å
8T34.8Very low35.2Very low129 Ų129127 Ų12779%0.79171%0.714SS**  trans-67.394.9159.9420000108.1M6M6-T8 PolarHBondContact O-N 2.69Å; M6-T8 VanDerWaalsContact O-N 3.14Å
9I36Very low35.2Very low140 Ų140129.6 Ų129.672%0.71871%0.711SS**  trans-52.3141172-65162.4000109.1P7 E11P7-I9 VanDerWaalsContact C-N 3.28Å; P7-I9 PolarHBondContact O-N 2.97Å; I9-E11 PolarHBondContact O-N 2.91Å
10N34.5Very low35.1Very low137 Ų137130 Ų13073%0.73371%0.712SS**  trans-65.196.3179.6-68.311.8000111.6D12N10-D12 VanDerWaalsContact C-N 3.3Å; N10-D12 PolarHBondContact O-N 3.14Å
11E34.7Very low35.2Very low189 Ų189127.6 Ų127.688%0.88371%0.705SS**  trans-89.662.8166.4-67.2-160.3151.100111.6I9I9-E11 PolarHBondContact O-N 2.91Å
12D33.9Very low35.2Very low157 Ų157124.1 Ų124.184%0.8469%0.69SS**  trans-151.957.1154.7-133.3-13.7000111.8N10N10-D12 VanDerWaalsContact C-N 3.3Å; N10-D12 PolarHBondContact O-N 3.14Å
13I33.7Very low35.2Very low152 Ų152122.4 Ų122.478%0.77969%0.687SS**  trans-108.2100.3164.3-62.8178.5000106.6
14G32.2Very low34.9Very low42 Ų42123.2 Ų123.243%0.43369%0.693SS.*  trans-153.54.1-16300000118.6
15S37.4Very low34.9Very low86 Ų86120.4 Ų120.460%0.60169%0.691SS**  trans-159.3140.4158.8-82.80000112A1080S15-A1080 WeakPolarHBondContact OG-CB 3.38Å
16Q35.4Very low34.7Very low86 Ų86121.1 Ų121.140%0.40269%0.691SS.*  cis168.374.219.1-27.8157.710.500116.6D1083Q16-D1083 VanDerWaalsContact CD-OD1 3.23Å; Q16-D1083 HydrophobicContact CG-CB 4.17Å; Q16-D1083 VanDerWaalsContact CG-OD1 3.24Å; Q16-D1083 WeakPolarHBondContact CG-OD1 3.47Å; Q16-D1083 PolarHBondContact NE2-OD1 3.35Å
17G34.5Very low35Very low54 Ų54117.6 Ų117.656%0.55769%0.694SS**  trans132.5142.3153.400000116.5N1082 D1083G17-N1082 WeakPolarHBondContact CA-O 3.4Å; G17-D1083 CarbonylContact C-O 3.6Å; G17-D1083 VanDerWaalsContact C-O 3.24Å; G17-D1083 WeakPolarHBondContact CA-O 3.33Å; G17-D1083 PolarHBondContact N-O 3.14Å
18D36Very low35.6Very low91 Ų91118.5 Ų118.549%0.48770%0.698SS.*  cis-160.6-177.8-22.8-156.7-2.5000110.2N1082 P1084D18-N1082 VanDerWaalsContact CG-O 3.28Å; D18-P1084 CarbonylContact C-O 3.52Å; D18-P1084 VanDerWaalsContact C-O 3.26Å
19R34.8Very low36.3Very low176 Ų176115.1 Ų115.166%0.66468%0.675SS**  trans-90.6158.6-155.5-58.9149.8171-170.3-2.6119.3P1084R19-P1084 WeakPolarHBondContact CA-O 3.47Å; R19-P1084 PolarHBondContact N-O 2.98Å
20D33.1Very low37.4Very low137 Ų137113.5 Ų113.573%0.73367%0.671SS**  -130.4132.2127-109.5-34.5000108.1
21S37Very low39.4Very low80 Ų80113 Ų11356%0.55967%0.665SS**  cis77.2137.926.3121.20000113.6
22L35.7Very low41.2Very low153 Ų153108.1 Ų108.180%0.80164%0.644SS**  cis-156.5169.28.4-159.870.5000111.6
23V36.1Very low43Very low122 Ų122106.7 Ų106.774%0.73963%0.634SS**  trans66.4101.8162.2-164.40000119.1
24S31.4Very low45.1Very low112 Ų112104 Ų10478%0.78362%0.621SS**  -171.8157.1116.9-80.70000111.4
25A35.2Very low47.3Very low93 Ų93106.3 Ų106.377%0.76962%0.623SS**  trans64.9103.2176.200000116.8
26D36.5Very low49.1Very low153 Ų153105.8 Ų105.882%0.81862%0.619SS**  trans-69.2148.7172.9-53-89.7000114T28D26-T28 VanDerWaalsContact C-N 3.32Å; D26-T28 PolarHBondContact O-N 3.42Å
27G37.1Very low50.6Low81 Ų81107.8 Ų107.884%0.83563%0.63SS**SBendtrans75.2-13.7137.900000120.2
28T47.9Very low52.8Low119 Ų119109.1 Ų109.173%0.7362%0.624SS**  trans-110127.9-176.856.70000113.1D26D26-T28 VanDerWaalsContact C-N 3.32Å; D26-T28 PolarHBondContact O-N 3.42Å
29N48.9Very low55Low58 Ų58109.9 Ų109.931%0.3163%0.628SS.*  cis-151.8139.2-24.6-172.7-4000105.8E31 D32 M33N29-E31 PolarHBondContact ND2-OE2 3.44Å; N29-E31 PolarHBondContact O-N 3.01Å; N29-E31 WeakPolarHBondContact OD1-CG 3.03Å; N29-E31 PolarHBondContact OD1-N 2.95Å; N29-E31 VanDerWaalsContact OD1-N 3.17Å; N29-D32 HydrophobicContact CB-CB 3.96Å; N29-D32 VanDerWaalsContact CB-CG 3.48Å; N29-D32 VanDerWaalsContact CB-OD2 3.26Å; N29-D32 WeakPolarHBondContact CB-OD2 3.31Å; N29-D32 PolarHBondContact O-N 2.91Å; N29-D32 VanDerWaalsContact O-N 3.15Å; N29-M33 PolarHBondContact O-N 2.93Å
30V59.6Low57.2Low105 Ų105105.5 Ų105.564%0.63662%0.615SS**Hα-helixtrans-66.3-30.1174.9-179.80000110D32 M33 L34V30-D32 VanDerWaalsContact C-N 3.35Å; V30-M33 PolarHBondContact O-N 3.25Å; V30-L34 HydrophobicContact CG1-CD1 4.08Å; V30-L34 HydrophobicContact CG1-CG 4.45Å; V30-L34 WeakPolarHBondContact O-CB 3.5Å; V30-L34 VanDerWaalsContact O-CG 3.31Å; V30-L34 WeakPolarHBondContact O-CG 3.41Å; V30-L34 PolarHBondContact O-N 3.1Å
31E75.4Confident59.7Low128 Ų128105.7 Ų105.760%0.59861%0.606SS**Hα-helixtrans-64.9-35.3173-50.2171143.600111.9N29 L34 L35N29-E31 PolarHBondContact ND2-OE2 3.44Å; N29-E31 PolarHBondContact O-N 3.01Å; N29-E31 WeakPolarHBondContact OD1-CG 3.03Å; N29-E31 PolarHBondContact OD1-N 2.95Å; N29-E31 VanDerWaalsContact OD1-N 3.17Å; E31-L34 CarbonylContact O-C 3.55Å; E31-L34 PolarHBondContact O-N 2.94Å; E31-L35 VanDerWaalsContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 WeakPolarHBondContact O-CD1 3.33Å; E31-L35 VanDerWaalsContact O-CG 3.24Å; E31-L35 WeakPolarHBondContact O-CG 3.4Å; E31-L35 PolarHBondContact O-N 3.33Å
32D74.3Confident62Low85 Ų85105.7 Ų105.746%0.45560%0.599SS.*Hα-helixtrans-70.2-36.7179.1-66.8-16.4000111.7N29 V30 L35 S36N29-D32 HydrophobicContact CB-CB 3.96Å; N29-D32 VanDerWaalsContact CB-CG 3.48Å; N29-D32 VanDerWaalsContact CB-OD2 3.26Å; N29-D32 WeakPolarHBondContact CB-OD2 3.31Å; N29-D32 PolarHBondContact O-N 2.91Å; N29-D32 VanDerWaalsContact O-N 3.15Å; V30-D32 VanDerWaalsContact C-N 3.35Å; D32-L35 PolarHBondContact O-N 3.35Å; D32-S36 WeakPolarHBondContact O-CB 3.39Å; D32-S36 PolarHBondContact O-N 3.1Å
33M71.8Confident64.4Low127 Ų127106.3 Ų106.363%0.62659%0.591SS**Hα-helixtrans-72.9-36.6174-171.5165.563.500111.6N29 V30 S36 M37N29-M33 PolarHBondContact O-N 2.93Å; V30-M33 PolarHBondContact O-N 3.25Å; M33-S36 PolarHBondContact O-N 2.97Å; M33-M37 WeakPolarHBondContact O-CB 3.43Å; M33-M37 WeakPolarHBondContact O-CG 3.37Å; M33-M37 PolarHBondContact O-N 2.93Å
34L76.5Confident66.6Low97 Ų97106.1 Ų106.151%0.50859%0.585SS.*Hα-helixtrans-65.8-38171.1-73.8169.9000111.8V30 E31 M37 L38V30-L34 HydrophobicContact CG1-CD1 4.08Å; V30-L34 HydrophobicContact CG1-CG 4.45Å; V30-L34 WeakPolarHBondContact O-CB 3.5Å; V30-L34 VanDerWaalsContact O-CG 3.31Å; V30-L34 WeakPolarHBondContact O-CG 3.41Å; V30-L34 PolarHBondContact O-N 3.1Å; E31-L34 CarbonylContact O-C 3.55Å; E31-L34 PolarHBondContact O-N 2.94Å; L34-M37 PolarHBondContact O-N 2.9Å; L34-L38 WeakPolarHBondContact O-CB 3.44Å; L34-L38 VanDerWaalsContact O-CG 3.23Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 3.42Å
35L78.4Confident68.9Low89 Ų89106 Ų10647%0.46657%0.574SS.*Hα-helixtrans-62.3-49.6172-81.8162.2000110.5E31 D32 M37 L38 D39E31-L35 VanDerWaalsContact O-CB 3.27Å; E31-L35 WeakPolarHBondContact O-CB 3.2Å; E31-L35 WeakPolarHBondContact O-CD1 3.33Å; E31-L35 VanDerWaalsContact O-CG 3.24Å; E31-L35 WeakPolarHBondContact O-CG 3.4Å; E31-L35 PolarHBondContact O-N 3.33Å; D32-L35 PolarHBondContact O-N 3.35Å; L35-M37 VanDerWaalsContact C-N 3.25Å; L35-M37 PolarHBondContact O-N 3.43Å; L35-L38 CarbonylContact O-C 3.59Å; L35-L38 WeakPolarHBondContact O-CA 3.41Å; L35-L38 PolarHBondContact O-N 3.36Å; L35-D39 WeakPolarHBondContact O-CB 3.32Å; L35-D39 PolarHBondContact O-N 2.89Å
36S76.1Confident71.3Confident75 Ų75105.5 Ų105.552%0.52456%0.555SS.*Hα-helixtrans-60.9-32.9175.8-177.10000113.1D32 M33 E40D32-S36 WeakPolarHBondContact O-CB 3.39Å; D32-S36 PolarHBondContact O-N 3.1Å; M33-S36 PolarHBondContact O-N 2.97Å; S36-E40 WeakPolarHBondContact O-CB 3.5Å; S36-E40 PolarHBondContact O-N 2.98Å; S36-E40 VanDerWaalsContact O-N 3.09Å
37M65.6Low73.4Confident128 Ų12899.8 Ų99.863%0.63153%0.532SS*.Hα-helixtrans-74.2-33173-74.2-176.570.600112.7M33 L34 L35 R41M33-M37 WeakPolarHBondContact O-CB 3.43Å; M33-M37 WeakPolarHBondContact O-CG 3.37Å; M33-M37 PolarHBondContact O-N 2.93Å; L34-M37 PolarHBondContact O-N 2.9Å; L35-M37 VanDerWaalsContact C-N 3.25Å; L35-M37 PolarHBondContact O-N 3.43Å; M37-R41 WeakPolarHBondContact O-CB 3.32Å; M37-R41 PolarHBondContact O-N 3.14Å
38L80.6Confident75.4Confident83 Ų83100.2 Ų100.244%0.43552%0.515SS..Hα-helixtrans-72.1-41.1173.7-74.7165.8000111.4L34 L35 R41 D42L34-L38 WeakPolarHBondContact O-CB 3.44Å; L34-L38 VanDerWaalsContact O-CG 3.23Å; L34-L38 WeakPolarHBondContact O-CG 3.37Å; L34-L38 PolarHBondContact O-N 3.42Å; L35-L38 CarbonylContact O-C 3.59Å; L35-L38 WeakPolarHBondContact O-CA 3.41Å; L35-L38 PolarHBondContact O-N 3.36Å; L38-R41 WeakPolarHBondContact O-CB 3.19Å; L38-R41 PolarHBondContact O-N 2.96Å; L38-D42 VanDerWaalsContact O-CB 3.3Å; L38-D42 WeakPolarHBondContact O-CB 3.48Å; L38-D42 VanDerWaalsContact O-CG 3.26Å; L38-D42 PolarHBondContact O-N 2.86Å
39D83.1Confident77.2Confident107 Ų107100.3 Ų100.357%0.57250%0.502SS*.Hα-helixtrans-63.3-46.7175.6-73.7-23.1000111L35 D42 R43L35-D39 WeakPolarHBondContact O-CB 3.32Å; L35-D39 PolarHBondContact O-N 2.89Å; D39-D42 PolarHBondContact O-N 3.44Å; D39-R43 WeakPolarHBondContact O-CB 3.26Å; D39-R43 PolarHBondContact O-N 3.5Å
40E81.1Confident78.9Confident83 Ų83102.8 Ų102.839%0.38851%0.512SS..Hα-helixtrans-70.6-33.2176.7-167.965.3-16800111.5S36 R43 L44S36-E40 WeakPolarHBondContact O-CB 3.5Å; S36-E40 PolarHBondContact O-N 2.98Å; S36-E40 VanDerWaalsContact O-N 3.09Å; E40-R43 VanDerWaalsContact CD-NH1 3.27Å; E40-R43 IonicContact OE1-CZ 3.52Å; E40-R43 IonicContact OE1-NH1 2.78Å; E40-R43 PolarHBondContact OE1-NH1 3.3Å; E40-R43 WeakPolarHBondContact OE2-CD 3.23Å; E40-R43 IonicContact OE2-CZ 3.79Å; E40-R43 IonicContact OE2-NH1 3.37Å; E40-R43 PolarHBondContact OE2-NH1 2.81Å; E40-L44 HydrophobicContact CG-CD1 4.41Å; E40-L44 WeakPolarHBondContact O-CB 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 3.14Å
41R84.4Confident79.6Confident142 Ų142100.8 Ų100.854%0.53650%0.503SS..Hα-helixtrans-61.4-45.4169.6-175-155.477.4147.3-0.5111.1M37 L38 R43 L44 M45M37-R41 WeakPolarHBondContact O-CB 3.32Å; M37-R41 PolarHBondContact O-N 3.14Å; L38-R41 WeakPolarHBondContact O-CB 3.19Å; L38-R41 PolarHBondContact O-N 2.96Å; R41-R43 VanDerWaalsContact C-N 3.35Å; R41-L44 CarbonylContact O-C 3.27Å; R41-L44 PolarHBondContact O-N 3.31Å; R41-M45 WeakPolarHBondContact O-CB 3.4Å; R41-M45 VanDerWaalsContact O-CG 3.28Å; R41-M45 WeakPolarHBondContact O-CG 3.39Å; R41-M45 PolarHBondContact O-N 3.18Å
42D86Confident79.8Confident79 Ų7999.6 Ų99.642%0.42250%0.497SS..Hα-helixtrans-72.9-32.7-176.5-74.513.2000110.8L38 D39 M45 E46L38-D42 VanDerWaalsContact O-CB 3.3Å; L38-D42 WeakPolarHBondContact O-CB 3.48Å; L38-D42 VanDerWaalsContact O-CG 3.26Å; L38-D42 PolarHBondContact O-N 2.86Å; D39-D42 PolarHBondContact O-N 3.44Å; D42-M45 PolarHBondContact O-N 3.45Å; D42-E46 WeakPolarHBondContact O-CB 3.32Å; D42-E46 PolarHBondContact O-N 3.19Å
43R86.4Confident80.3Confident166 Ų166101.1 Ų101.163%0.62650%0.501SS*.Hα-helixtrans-66.1-37.7168.1-176174.5172.1-125.1-3.9113D39 E40 R41 E46 G47D39-R43 WeakPolarHBondContact O-CB 3.26Å; D39-R43 PolarHBondContact O-N 3.5Å; E40-R43 VanDerWaalsContact CD-NH1 3.27Å; E40-R43 IonicContact OE1-CZ 3.52Å; E40-R43 IonicContact OE1-NH1 2.78Å; E40-R43 PolarHBondContact OE1-NH1 3.3Å; E40-R43 WeakPolarHBondContact OE2-CD 3.23Å; E40-R43 IonicContact OE2-CZ 3.79Å; E40-R43 IonicContact OE2-NH1 3.37Å; E40-R43 PolarHBondContact OE2-NH1 2.81Å; R41-R43 VanDerWaalsContact C-N 3.35Å; R43-E46 PolarHBondContact O-N 3.41Å; R43-G47 PolarHBondContact O-N 3.23Å
44L81.9Confident80.8Confident118 Ų118101.3 Ų101.362%0.61850%0.501SS*.Hα-helixtrans-70.1-34.3171.5-74.2167.6000112.1E40 R41 L48E40-L44 HydrophobicContact CG-CD1 4.41Å; E40-L44 WeakPolarHBondContact O-CB 3.29Å; E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 3.14Å; R41-L44 CarbonylContact O-C 3.27Å; R41-L44 PolarHBondContact O-N 3.31Å; L44-L48 VanDerWaalsContact O-CB 3.24Å; L44-L48 WeakPolarHBondContact O-CB 3.36Å; L44-L48 PolarHBondContact O-N 3.49Å
45M80.6Confident80.8Confident110 Ų11099.3 Ų99.354%0.54249%0.492SS..Hα-helixtrans-69.1-36.9172.2-73.1-68.4-62.800111.9R41 D42 L48 R49R41-M45 WeakPolarHBondContact O-CB 3.4Å; R41-M45 VanDerWaalsContact O-CG 3.28Å; R41-M45 WeakPolarHBondContact O-CG 3.39Å; R41-M45 PolarHBondContact O-N 3.18Å; D42-M45 PolarHBondContact O-N 3.45Å; M45-L48 PolarHBondContact O-N 3.39Å; M45-L48 HydrophobicContact SD-CD2 4.48Å; M45-R49 PolarHBondContact O-N 3.44Å
46E84.4Confident81Confident82 Ų8298.6 Ų98.638%0.38349%0.489SS..Hα-helixtrans-64.2-51172.8-16865.3-160.800110.1D42 R43 L48 R49 E50D42-E46 WeakPolarHBondContact O-CB 3.32Å; D42-E46 PolarHBondContact O-N 3.19Å; R43-E46 PolarHBondContact O-N 3.41Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 2.85Å; E46-R49 CarbonylContact O-C 3.6Å; E46-R49 WeakPolarHBondContact O-CA 3.5Å; E46-R49 PolarHBondContact O-N 2.98Å; E46-R49 IonicContact OE1-CZ 3.84Å; E46-R49 IonicContact OE1-NH1 3.44Å; E46-R49 PolarHBondContact OE1-NH1 2.85Å; E46-R49 IonicContact OE1-NH2 3.34Å; E46-R49 PolarHBondContact OE1-NH2 2.86Å; E46-R49 IonicContact OE2-CZ 3.67Å; E46-R49 IonicContact OE2-NH1 2.81Å; E46-R49 PolarHBondContact OE2-NH1 3.27Å; E46-E50 WeakPolarHBondContact O-CG 3.48Å; E46-E50 PolarHBondContact O-N 3.5Å
47G81.8Confident81.4Confident33 Ų3399.5 Ų99.534%0.3449%0.485SS..Hα-helixtrans-61.7-33.2175.400000113.6R43 S51R43-G47 PolarHBondContact O-N 3.23Å; G47-S51 VanDerWaalsContact O-CB 3.23Å; G47-S51 WeakPolarHBondContact O-CB 3.32Å; G47-S51 PolarHBondContact O-N 3.01Å
48L79.4Confident81.8Confident91 Ų9197.1 Ų97.148%0.47648%0.478SS..Hα-helixtrans-68.3-37.8170.9-178.262.1000111.5L44 M45 E46 Q52L44-L48 VanDerWaalsContact O-CB 3.24Å; L44-L48 WeakPolarHBondContact O-CB 3.36Å; L44-L48 PolarHBondContact O-N 3.49Å; M45-L48 PolarHBondContact O-N 3.39Å; M45-L48 HydrophobicContact SD-CD2 4.48Å; E46-L48 VanDerWaalsContact C-N 3.29Å; E46-L48 PolarHBondContact O-N 2.85Å; L48-Q52 VanDerWaalsContact O-CB 3.22Å; L48-Q52 WeakPolarHBondContact O-CB 3.4Å; L48-Q52 PolarHBondContact O-N 3.39Å
49R85Confident82Confident120 Ų120100.3 Ų100.345%0.45348%0.484SS..Hα-helixtrans-69-45.4174.7-159-161.970.9-109.4-11.2111.4M45 E46 S51 Q52 E53M45-R49 PolarHBondContact O-N 3.44Å; E46-R49 CarbonylContact O-C 3.6Å; E46-R49 WeakPolarHBondContact O-CA 3.5Å; E46-R49 PolarHBondContact O-N 2.98Å; E46-R49 IonicContact OE1-CZ 3.84Å; E46-R49 IonicContact OE1-NH1 3.44Å; E46-R49 PolarHBondContact OE1-NH1 2.85Å; E46-R49 IonicContact OE1-NH2 3.34Å; E46-R49 PolarHBondContact OE1-NH2 2.86Å; E46-R49 IonicContact OE2-CZ 3.67Å; E46-R49 IonicContact OE2-NH1 2.81Å; E46-R49 PolarHBondContact OE2-NH1 3.27Å; R49-S51 VanDerWaalsContact C-N 3.29Å; R49-S51 PolarHBondContact O-N 3.34Å; R49-Q52 CarbonylContact O-C 2.89Å; R49-Q52 PolarHBondContact O-N 2.91Å; R49-E53 IonicContact NE-OE2 3.66Å; R49-E53 WeakPolarHBondContact O-CB 3.45Å; R49-E53 PolarHBondContact O-N 3.4Å
50E84.3Confident82Confident110 Ų11099.2 Ų99.251%0.51448%0.482SS..Hα-helixtrans-57.3-42.4173.6-70.9-176.7163.500111.4E46 E53 Q54E46-E50 WeakPolarHBondContact O-CG 3.48Å; E46-E50 PolarHBondContact O-N 3.5Å; E50-E53 PolarHBondContact O-N 3.41Å; E50-Q54 WeakPolarHBondContact O-CG 3.24Å; E50-Q54 PolarHBondContact O-N 3.26Å
51S74.1Confident82.1Confident63 Ų63101.7 Ų101.744%0.44149%0.487SS..Hα-helixtrans-68.4-41.2176.5-168.80000112.3G47 R49 E53 Q54 V55G47-S51 VanDerWaalsContact O-CB 3.23Å; G47-S51 WeakPolarHBondContact O-CB 3.32Å; G47-S51 PolarHBondContact O-N 3.01Å; R49-S51 VanDerWaalsContact C-N 3.29Å; R49-S51 PolarHBondContact O-N 3.34Å; S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact O-N 2.9Å; S51-Q54 PolarHBondContact O-N 2.95Å; S51-V55 WeakPolarHBondContact O-CB 3.44Å; S51-V55 VanDerWaalsContact O-CG2 3.28Å; S51-V55 WeakPolarHBondContact O-CG2 3.49Å; S51-V55 PolarHBondContact O-N 2.86Å
52Q79.6Confident81.8Confident103 Ų10399.8 Ų99.848%0.48149%0.487SS..Hα-helixtrans-63.9-35.6173.5-171.178.1-15.600111.6L48 R49 V55 N56L48-Q52 VanDerWaalsContact O-CB 3.22Å; L48-Q52 WeakPolarHBondContact O-CB 3.4Å; L48-Q52 PolarHBondContact O-N 3.39Å; R49-Q52 CarbonylContact O-C 2.89Å; R49-Q52 PolarHBondContact O-N 2.91Å; Q52-V55 PolarHBondContact O-N 2.92Å; Q52-N56 WeakPolarHBondContact O-CB 3.42Å; Q52-N56 PolarHBondContact O-N 2.86Å; Q52-N56 PolarHBondContact O-ND2 2.86Å
53E85.8Confident81.5Confident117 Ų11798.8 Ų98.855%0.54749%0.486SS..Hα-helixtrans-70.5-43.7176.8-169.1160.5-171.700110.9R49 E50 S51 V55 N56 E57R49-E53 IonicContact NE-OE2 3.66Å; R49-E53 WeakPolarHBondContact O-CB 3.45Å; R49-E53 PolarHBondContact O-N 3.4Å; E50-E53 PolarHBondContact O-N 3.41Å; S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact O-N 2.9Å; E53-V55 PolarHBondContact O-N 3.21Å; E53-N56 PolarHBondContact O-N 2.78Å; E53-E57 WeakPolarHBondContact O-CB 3.24Å; E53-E57 PolarHBondContact O-N 2.81Å
54Q80.6Confident81.4Confident131 Ų13195.5 Ų95.561%0.61248%0.478SS*.Hα-helixtrans-62.1-38.8168.8-74.9-172.67.500112.8E50 S51 N56 E57 T58E50-Q54 WeakPolarHBondContact O-CG 3.24Å; E50-Q54 PolarHBondContact O-N 3.26Å; S51-Q54 PolarHBondContact O-N 2.95Å; Q54-N56 VanDerWaalsContact C-N 3.31Å; Q54-N56 PolarHBondContact O-N 3.46Å; Q54-E57 PolarHBondContact O-N 2.92Å; Q54-T58 WeakPolarHBondContact O-CB 2.79Å; Q54-T58 WeakPolarHBondContact O-CG2 3.39Å; Q54-T58 PolarHBondContact O-N 2.9Å; Q54-T58 PolarHBondContact O-OG1 3.32Å
55V77.9Confident81Confident55 Ų5594 Ų9433%0.33347%0.473SS..Hα-helixtrans-65-36174.7165.50000111.1S51 Q52 E53 T58 R59S51-V55 WeakPolarHBondContact O-CB 3.44Å; S51-V55 VanDerWaalsContact O-CG2 3.28Å; S51-V55 WeakPolarHBondContact O-CG2 3.49Å; S51-V55 PolarHBondContact O-N 2.86Å; Q52-V55 PolarHBondContact O-N 2.92Å; E53-V55 PolarHBondContact O-N 3.21Å; V55-T58 WeakPolarHBondContact CA-OG1 3.5Å; V55-T58 PolarHBondContact O-OG1 3.46Å; V55-R59 VanDerWaalsContact O-CB 3.29Å; V55-R59 WeakPolarHBondContact O-CB 3.49Å; V55-R59 WeakPolarHBondContact O-CD 3.45Å; V55-R59 WeakPolarHBondContact O-CG 3.25Å; V55-R59 PolarHBondContact O-N 3.22Å
56N83.1Confident80.7Confident75 Ų7591 Ų9140%0.40146%0.459SS..Hα-helixtrans-75.4-37.7175.2-71.5-21.4000112.6Q52 E53 Q54 R59 T60Q52-N56 WeakPolarHBondContact O-CB 3.42Å; Q52-N56 PolarHBondContact O-N 2.86Å; Q52-N56 PolarHBondContact O-ND2 2.86Å; E53-N56 PolarHBondContact O-N 2.78Å; Q54-N56 VanDerWaalsContact C-N 3.31Å; Q54-N56 PolarHBondContact O-N 3.46Å; N56-R59 PolarHBondContact O-N 3.25Å; N56-T60 WeakPolarHBondContact O-CB 3.37Å; N56-T60 PolarHBondContact O-N 3.09Å; N56-T60 PolarHBondContact O-OG1 2.56Å
57E83.5Confident80.6Confident93 Ų9393.3 Ų93.344%0.43546%0.463SS..Hα-helixtrans-66-43.4175.4-162.8-163.4-156.500110.8E53 Q54 T60 R61E53-E57 WeakPolarHBondContact O-CB 3.24Å; E53-E57 PolarHBondContact O-N 2.81Å; Q54-E57 PolarHBondContact O-N 2.92Å; E57-T60 PolarHBondContact O-N 3.39Å; E57-R61 VanDerWaalsContact CD-CZ 3.4Å; E57-R61 WeakPolarHBondContact O-CG 3.38Å; E57-R61 PolarHBondContact O-N 3.3Å; E57-R61 IonicContact OE1-CZ 3.68Å; E57-R61 IonicContact OE1-NH1 3.52Å; E57-R61 PolarHBondContact OE1-NH1 3.1Å; E57-R61 IonicContact OE1-NH2 3.95Å; E57-R61 PolarHBondContact OE1-NH2 3.44Å; E57-R61 IonicContact OE2-CZ 3.38Å; E57-R61 IonicContact OE2-NH1 2.69Å; E57-R61 PolarHBondContact OE2-NH1 3.42Å; E57-R61 IonicContact OE2-NH2 3.34Å; E57-R61 PolarHBondContact OE2-NH2 3.29Å
58T74.6Confident80.5Confident78 Ų7897.3 Ų97.348%0.47947%0.473SS..Hα-helixtrans-68.7-36.5174.951.70000112.7Q54 V55 T60 R61 L62Q54-T58 WeakPolarHBondContact O-CB 2.79Å; Q54-T58 WeakPolarHBondContact O-CG2 3.39Å; Q54-T58 PolarHBondContact O-N 2.9Å; Q54-T58 PolarHBondContact O-OG1 3.32Å; V55-T58 WeakPolarHBondContact CA-OG1 3.5Å; V55-T58 PolarHBondContact O-OG1 3.46Å; T58-T60 VanDerWaalsContact C-N 3.35Å; T58-R61 PolarHBondContact O-N 2.8Å; T58-L62 VanDerWaalsContact O-CB 3.3Å; T58-L62 WeakPolarHBondContact O-CB 3.41Å; T58-L62 PolarHBondContact O-N 3.47Å
59R83.5Confident80.4Confident150 Ų15094.1 Ų94.157%0.56646%0.455SS*.Hα-helixtrans-61.9-39.8168.2-81.3169169.9163.7-4.1112.7V55 N56 L62 S63V55-R59 VanDerWaalsContact O-CB 3.29Å; V55-R59 WeakPolarHBondContact O-CB 3.49Å; V55-R59 WeakPolarHBondContact O-CD 3.45Å; V55-R59 WeakPolarHBondContact O-CG 3.25Å; V55-R59 PolarHBondContact O-N 3.22Å; N56-R59 PolarHBondContact O-N 3.25Å; R59-L62 PolarHBondContact O-N 3.42Å; R59-S63 WeakPolarHBondContact O-CB 3.5Å; R59-S63 PolarHBondContact O-N 2.89Å
60T84.9Confident80Confident85 Ų8592 Ų9252%0.52145%0.453SS..Hα-helixtrans-66.2-47177.4-54.30000110.6N56 E57 T58 L62 S63 E64N56-T60 WeakPolarHBondContact O-CB 3.37Å; N56-T60 PolarHBondContact O-N 3.09Å; N56-T60 PolarHBondContact O-OG1 2.56Å; E57-T60 PolarHBondContact O-N 3.39Å; T58-T60 VanDerWaalsContact C-N 3.35Å; T60-L62 VanDerWaalsContact C-N 3.33Å; T60-L62 PolarHBondContact O-N 2.93Å; T60-S63 PolarHBondContact O-N 3.34Å; T60-E64 WeakPolarHBondContact O-CB 3.34Å; T60-E64 PolarHBondContact O-N 3.18Å
61R82.2Confident79.8Confident134 Ų13493.4 Ų93.451%0.50646%0.457SS..Hα-helixtrans-60-39.5172.3-72.7-176.2-179.6114.911.8112.5E57 T58 E64 V65E57-R61 VanDerWaalsContact CD-CZ 3.4Å; E57-R61 WeakPolarHBondContact O-CG 3.38Å; E57-R61 PolarHBondContact O-N 3.3Å; E57-R61 IonicContact OE1-CZ 3.68Å; E57-R61 IonicContact OE1-NH1 3.52Å; E57-R61 PolarHBondContact OE1-NH1 3.1Å; E57-R61 IonicContact OE1-NH2 3.95Å; E57-R61 PolarHBondContact OE1-NH2 3.44Å; E57-R61 IonicContact OE2-CZ 3.38Å; E57-R61 IonicContact OE2-NH1 2.69Å; E57-R61 PolarHBondContact OE2-NH1 3.42Å; E57-R61 IonicContact OE2-NH2 3.34Å; E57-R61 PolarHBondContact OE2-NH2 3.29Å; T58-R61 PolarHBondContact O-N 2.8Å; R61-E64 PolarHBondContact O-N 2.89Å; R61-V65 WeakPolarHBondContact O-CG2 3.29Å; R61-V65 PolarHBondContact O-N 3.02Å
62L77.4Confident79.6Confident103 Ų10395.8 Ų95.854%0.53946%0.464SS..Hα-helixtrans-61.4-52.1175.1-174.371.4000110.3T58 R59 T60 E64 V65 E66T58-L62 VanDerWaalsContact O-CB 3.3Å; T58-L62 WeakPolarHBondContact O-CB 3.41Å; T58-L62 PolarHBondContact O-N 3.47Å; R59-L62 PolarHBondContact O-N 3.42Å; T60-L62 VanDerWaalsContact C-N 3.33Å; T60-L62 PolarHBondContact O-N 2.93Å; L62-E64 PolarHBondContact O-N 2.87Å; L62-V65 PolarHBondContact O-N 3.22Å; L62-V65 VanDerWaalsContact O-N 3.16Å; L62-E66 HydrophobicContact CG-CG 4.42Å; L62-E66 WeakPolarHBondContact O-CB 3.45Å; L62-E66 VanDerWaalsContact O-CG 3.3Å; L62-E66 WeakPolarHBondContact O-CG 3.26Å; L62-E66 PolarHBondContact O-N 3.06Å
63S81.2Confident79.2Confident57 Ų5794.8 Ų94.840%0.39946%0.459SS..Hα-helixtrans-58-33.6176.9-179.20000112.8R59 T60 R67R59-S63 WeakPolarHBondContact O-CB 3.5Å; R59-S63 PolarHBondContact O-N 2.89Å; T60-S63 PolarHBondContact O-N 3.34Å; S63-R67 VanDerWaalsContact O-CB 3.29Å; S63-R67 WeakPolarHBondContact O-CB 3.41Å; S63-R67 PolarHBondContact O-N 2.87Å; S63-R67 PolarHBondContact O-NH2 3.45Å
64E83.4Confident78.8Confident97 Ų9792 Ų9245%0.45346%0.457SS..Hα-helixtrans-69.3-49.1174.9-166128.5-89.600112.2T60 R61 L62 E66 R67 E68T60-E64 WeakPolarHBondContact O-CB 3.34Å; T60-E64 PolarHBondContact O-N 3.18Å; R61-E64 PolarHBondContact O-N 2.89Å; L62-E64 PolarHBondContact O-N 2.87Å; E64-E66 VanDerWaalsContact C-N 3.29Å; E64-E66 PolarHBondContact O-N 3.44Å; E64-R67 WeakPolarHBondContact O-CB 3.3Å; E64-R67 PolarHBondContact O-N 3.43Å; E64-R67 VanDerWaalsContact O-N 3.08Å; E64-R67 IonicContact OE1-CZ 3.97Å; E64-R67 IonicContact OE1-NH1 2.69Å; E64-R67 PolarHBondContact OE1-NH1 2.96Å; E64-R67 IonicContact OE1-NH2 3.24Å; E64-E68 PolarHBondContact O-N 3.4Å
65V73.3Confident78.4Confident86 Ų8690.5 Ų90.552%0.52145%0.449SS..Hα-helixtrans-64-33.7175.6171.20000111.8R61 L62 E68 R69R61-V65 WeakPolarHBondContact O-CG2 3.29Å; R61-V65 PolarHBondContact O-N 3.02Å; L62-V65 PolarHBondContact O-N 3.22Å; L62-V65 VanDerWaalsContact O-N 3.16Å; V65-E68 PolarHBondContact O-N 2.91Å; V65-R69 WeakPolarHBondContact O-CB 3.46Å; V65-R69 PolarHBondContact O-N 2.67Å
66E74.5Confident77.8Confident49 Ų4992.2 Ų92.223%0.22946%0.457CS..Hα-helixtrans-67.2-36.6171.6-74-162.498.400112.5L62 E64 R69 D70 M1027L62-E66 HydrophobicContact CG-CG 4.42Å; L62-E66 WeakPolarHBondContact O-CB 3.45Å; L62-E66 VanDerWaalsContact O-CG 3.3Å; L62-E66 WeakPolarHBondContact O-CG 3.26Å; L62-E66 PolarHBondContact O-N 3.06Å; E64-E66 VanDerWaalsContact C-N 3.29Å; E64-E66 PolarHBondContact O-N 3.44Å; E66-R69 WeakPolarHBondContact O-CB 3.19Å; E66-R69 PolarHBondContact O-N 3.05Å; E66-R69 PolarHBondContact O-NE 3.47Å; E66-R69 PolarHBondContact O-NH2 3.03Å; E66-R69 IonicContact OE1-CZ 2.66Å; E66-R69 IonicContact OE1-NH1 3.57Å; E66-R69 PolarHBondContact OE1-NH1 2.92Å; E66-R69 IonicContact OE1-NH2 3.42Å; E66-D70 PolarHBondContact O-N 3.37Å; E66-M1027 HydrophobicContact CG-CE 4.4Å
67R83.5Confident77.1Confident129 Ų12991.9 Ų91.949%0.48746%0.46SS..Hα-helixtrans-71.7-36.8175.8-160.2-172.7-43.812110.9111.6S63 E64 D70 K71S63-R67 VanDerWaalsContact O-CB 3.29Å; S63-R67 WeakPolarHBondContact O-CB 3.41Å; S63-R67 PolarHBondContact O-N 2.87Å; S63-R67 PolarHBondContact O-NH2 3.45Å; E64-R67 WeakPolarHBondContact O-CB 3.3Å; E64-R67 PolarHBondContact O-N 3.43Å; E64-R67 VanDerWaalsContact O-N 3.08Å; E64-R67 IonicContact OE1-CZ 3.97Å; E64-R67 IonicContact OE1-NH1 2.69Å; E64-R67 PolarHBondContact OE1-NH1 2.96Å; E64-R67 IonicContact OE1-NH2 3.24Å; R67-D70 PolarHBondContact O-N 3.32Å; R67-K71 VanDerWaalsContact O-CB 3.27Å; R67-K71 WeakPolarHBondContact O-CB 3.43Å; R67-K71 PolarHBondContact O-N 2.83Å
68E78.6Confident76.6Confident117 Ų11791.7 Ų91.755%0.54747%0.474SS..Hα-helixtrans-67.8-41.4170.1-67.4-149.1129.900111.7E64 V65 K71 L72E64-E68 PolarHBondContact O-N 3.4Å; V65-E68 PolarHBondContact O-N 2.91Å; E68-K71 PolarHBondContact O-N 3.44Å; E68-L72 WeakPolarHBondContact O-CB 3.44Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.3Å
69R77.9Confident76.5Confident25 Ų2596.2 Ų96.29%0.09449%0.487CS..Hα-helixtrans-52.5-56.2168.3170.3-141.253.4-136.41.9109.9V65 E66 K71 L72 H73 P1026 M1027V65-R69 WeakPolarHBondContact O-CB 3.46Å; V65-R69 PolarHBondContact O-N 2.67Å; E66-R69 WeakPolarHBondContact O-CB 3.19Å; E66-R69 PolarHBondContact O-N 3.05Å; E66-R69 PolarHBondContact O-NE 3.47Å; E66-R69 PolarHBondContact O-NH2 3.03Å; E66-R69 IonicContact OE1-CZ 2.66Å; E66-R69 IonicContact OE1-NH1 3.57Å; E66-R69 PolarHBondContact OE1-NH1 2.92Å; E66-R69 IonicContact OE1-NH2 3.42Å; R69-K71 VanDerWaalsContact C-N 3.26Å; R69-K71 PolarHBondContact O-N 2.93Å; R69-L72 CarbonylContact O-C 3.59Å; R69-L72 PolarHBondContact O-N 2.83Å; R69-L72 VanDerWaalsContact O-N 3.09Å; R69-H73 VanDerWaalsContact O-CB 3.26Å; R69-H73 WeakPolarHBondContact O-CB 3.47Å; R69-H73 PolarHBondContact O-N 2.88Å; R69-P1026 WeakPolarHBondContact CD-O 3.31Å; R69-M1027 HydrophobicContact CB-CE 4.34Å; R69-M1027 VanDerWaalsContact CD-CB 3.45Å; R69-M1027 VanDerWaalsContact CD-CG 3.46Å; R69-M1027 HydrophobicContact CG-CE 4.26Å; R69-M1027 HydrophobicContact CG-CG 4.48Å; R69-M1027 PolarHBondContact NH1-SD 2.85Å
70D76.4Confident75.1Confident76 Ų7693 Ų9341%0.40648%0.48SS..Hα-helixtrans-61.1-38-176.4-74.1-23.7000111.9E66 R67 A74E66-D70 PolarHBondContact O-N 3.37Å; R67-D70 PolarHBondContact O-N 3.32Å; D70-A74 WeakPolarHBondContact O-CB 3.28Å; D70-A74 PolarHBondContact O-N 2.86Å
71K79.5Confident74.5Confident138 Ų13892.8 Ų92.860%0.648%0.48SS*.Hα-helixtrans-65.8-37175.4-172.1178.4179.4-174.50112.7R67 E68 R69 Q75R67-K71 VanDerWaalsContact O-CB 3.27Å; R67-K71 WeakPolarHBondContact O-CB 3.43Å; R67-K71 PolarHBondContact O-N 2.83Å; E68-K71 PolarHBondContact O-N 3.44Å; R69-K71 VanDerWaalsContact C-N 3.26Å; R69-K71 PolarHBondContact O-N 2.93Å; K71-Q75 WeakPolarHBondContact O-CB 3.49Å; K71-Q75 VanDerWaalsContact O-CG 3.26Å; K71-Q75 WeakPolarHBondContact O-CG 3.25Å; K71-Q75 PolarHBondContact O-N 3.39Å; K71-Q75 PolarHBondContact O-NE2 3.4Å
72L69.8Low74Confident114 Ų11493.8 Ų93.860%0.59749%0.49SS*.Hα-helixtrans-76.7-41.4175.4-71.8170.5000112E68 R69 Q75 L76E68-L72 WeakPolarHBondContact O-CB 3.44Å; E68-L72 VanDerWaalsContact O-CG 3.3Å; E68-L72 WeakPolarHBondContact O-CG 3.46Å; E68-L72 PolarHBondContact O-N 3.3Å; R69-L72 CarbonylContact O-C 3.59Å; R69-L72 PolarHBondContact O-N 2.83Å; R69-L72 VanDerWaalsContact O-N 3.09Å; L72-Q75 PolarHBondContact O-N 2.93Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.4Å
73H72.4Confident73.8Confident81 Ų8194.8 Ų94.838%0.37550%0.496SS..Hα-helixtrans-66-41.7177.8-164.1121.6000110.6R69 L76 S77 M1027R69-H73 VanDerWaalsContact O-CB 3.26Å; R69-H73 WeakPolarHBondContact O-CB 3.47Å; R69-H73 PolarHBondContact O-N 2.88Å; H73-L76 PolarHBondContact O-N 2.92Å; H73-S77 WeakPolarHBondContact O-CB 3.3Å; H73-S77 PolarHBondContact O-N 2.82Å; H73-M1027 PolarHBondContact ND1-O 2.56Å
74A76.8Confident73.4Confident59 Ų5993.5 Ų93.549%0.48849%0.486SS..Hα-helixtrans-62.8-41.4172.400000112D70 A78D70-A74 WeakPolarHBondContact O-CB 3.28Å; D70-A74 PolarHBondContact O-N 2.86Å; A74-A78 WeakPolarHBondContact O-CB 3.49Å; A74-A78 PolarHBondContact O-N 3.05Å
75Q72.9Confident73Confident99 Ų9991.4 Ų91.446%0.46348%0.479SS..Hα-helixtrans-67-35.5174.9-7917565.200113.3K71 L72 K79K71-Q75 WeakPolarHBondContact O-CB 3.49Å; K71-Q75 VanDerWaalsContact O-CG 3.26Å; K71-Q75 WeakPolarHBondContact O-CG 3.25Å; K71-Q75 PolarHBondContact O-N 3.39Å; K71-Q75 PolarHBondContact O-NE2 3.4Å; L72-Q75 PolarHBondContact O-N 2.93Å; Q75-K79 WeakPolarHBondContact O-CB 3.44Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.47Å
76L65.2Low73.2Confident92 Ų9292.2 Ų92.248%0.48248%0.477SS..Hα-helixtrans-71-46.3176.2-173.965.4000110.7L72 H73 K79 M80L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.4Å; H73-L76 PolarHBondContact O-N 2.92Å; L76-K79 CarbonylContact O-C 3.57Å; L76-K79 PolarHBondContact O-N 3.45Å; L76-K79 VanDerWaalsContact O-N 3.1Å; L76-M80 PolarHBondContact O-N 3.1Å
77S66.8Low73.2Confident67 Ų6791.9 Ų91.947%0.46948%0.477SS..Hα-helixtrans-59.4-46.9175.9-174.30000111.6H73 K79 M80H73-S77 WeakPolarHBondContact O-CB 3.3Å; H73-S77 PolarHBondContact O-N 2.82Å; S77-K79 PolarHBondContact O-N 3.31Å; S77-K79 VanDerWaalsContact O-N 3.13Å; S77-M80 PolarHBondContact O-N 2.83Å; S77-M80 VanDerWaalsContact O-N 3.14Å
78A73.9Confident72.8Confident90 Ų9087 Ų8774%0.74446%0.462SS*.THydrogen-bonded Turntrans-66.9-10176.300000114.5A74A74-A78 WeakPolarHBondContact O-CB 3.49Å; A74-A78 PolarHBondContact O-N 3.05Å
79K72.9Confident73.1Confident173 Ų17388.2 Ų88.275%0.75247%0.466SS*.THydrogen-bonded Turntrans-111.3-2.2174.4-73.6-176.4175.5-178.60113.8Q75 L76 S77Q75-K79 WeakPolarHBondContact O-CB 3.44Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.47Å; L76-K79 CarbonylContact O-C 3.57Å; L76-K79 PolarHBondContact O-N 3.45Å; L76-K79 VanDerWaalsContact O-N 3.1Å; S77-K79 PolarHBondContact O-N 3.31Å; S77-K79 VanDerWaalsContact O-N 3.13Å
80M54.9Low73.4Confident81 Ų8191 Ų9140%0.39948%0.479SS..SBendtrans-82.3125.1-177.9-174.3149.458.900110.4L76 S77 V84 V85L76-M80 PolarHBondContact O-N 3.1Å; S77-M80 PolarHBondContact O-N 2.83Å; S77-M80 VanDerWaalsContact O-N 3.14Å; M80-V84 HydrophobicContact CG-CB 4.11Å; M80-V84 HydrophobicContact CG-CG1 4.07Å; M80-V84 HydrophobicContact SD-CG1 3.95Å; M80-V85 HydrophobicContact CB-CG2 4.5Å; M80-V85 HydrophobicContact CE-CG2 4.2Å; M80-V85 HydrophobicContact CG-CG2 4.1Å
81P72.2Confident73.7Confident81 Ų8188.2 Ų88.253%0.52646%0.464SS..  trans-58.7140179.1-2534.5000112.2D83 V84 V85P81-D83 VanDerWaalsContact C-N 3.25Å; P81-D83 PolarHBondContact O-N 3.34Å; P81-V84 HydrophobicContact CB-CG2 4.19Å; P81-V84 HydrophobicContact CG-CG2 4.4Å; P81-V84 WeakPolarHBondContact O-CA 3.47Å; P81-V84 WeakPolarHBondContact O-CB 3.47Å; P81-V84 PolarHBondContact O-N 2.91Å; P81-V85 PolarHBondContact O-N 3.47Å
82Q71.9Confident73.9Confident156 Ų15685.6 Ų85.673%0.72946%0.459SS*.Hα-helixtrans-58.5-36.6-174-172.3169.3-17.900112.7V84 V85 E86Q82-V84 VanDerWaalsContact C-N 3.29Å; Q82-V84 PolarHBondContact O-N 3.31Å; Q82-V85 WeakPolarHBondContact O-CA 3.27Å; Q82-V85 WeakPolarHBondContact O-CB 3.12Å; Q82-V85 PolarHBondContact O-N 2.97Å; Q82-E86 PolarHBondContact O-N 2.93Å
83D72.9Confident74.8Confident124 Ų12485.4 Ų85.466%0.66346%0.455SS*.Hα-helixtrans-57.2-41173.7-53.89.1000111.8P81 V85 E86 M87P81-D83 VanDerWaalsContact C-N 3.25Å; P81-D83 PolarHBondContact O-N 3.34Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 3.44Å; D83-E86 PolarHBondContact O-N 2.9Å; D83-M87 VanDerWaalsContact O-CB 3.3Å; D83-M87 WeakPolarHBondContact O-CB 3.46Å; D83-M87 WeakPolarHBondContact O-CG 3.38Å; D83-M87 PolarHBondContact O-N 3.32Å
84V72.6Confident75.5Confident30 Ų3081.9 Ų81.918%0.18244%0.439CS..Hα-helixtrans-70.3-31.2177.8-178.30000110.8M80 P81 Q82 S88M80-V84 HydrophobicContact CG-CB 4.11Å; M80-V84 HydrophobicContact CG-CG1 4.07Å; M80-V84 HydrophobicContact SD-CG1 3.95Å; P81-V84 HydrophobicContact CB-CG2 4.19Å; P81-V84 HydrophobicContact CG-CG2 4.4Å; P81-V84 WeakPolarHBondContact O-CA 3.47Å; P81-V84 WeakPolarHBondContact O-CB 3.47Å; P81-V84 PolarHBondContact O-N 2.91Å; Q82-V84 VanDerWaalsContact C-N 3.29Å; Q82-V84 PolarHBondContact O-N 3.31Å; V84-S88 VanDerWaalsContact O-CB 3.23Å; V84-S88 WeakPolarHBondContact O-CB 3.35Å; V84-S88 PolarHBondContact O-N 3.33Å; V84-S88 PolarHBondContact O-OG 3.28Å
85V74.9Confident75.9Confident52 Ų5282 Ų8232%0.31543%0.43SS..Hα-helixtrans-67.8-48.2172.6-176.10000110.7M80 P81 Q82 D83 S88 K89M80-V85 HydrophobicContact CB-CG2 4.5Å; M80-V85 HydrophobicContact CE-CG2 4.2Å; M80-V85 HydrophobicContact CG-CG2 4.1Å; P81-V85 PolarHBondContact O-N 3.47Å; Q82-V85 WeakPolarHBondContact O-CA 3.27Å; Q82-V85 WeakPolarHBondContact O-CB 3.12Å; Q82-V85 PolarHBondContact O-N 2.97Å; D83-V85 VanDerWaalsContact C-N 3.32Å; D83-V85 PolarHBondContact O-N 3.44Å; V85-S88 PolarHBondContact O-N 3.31Å; V85-K89 PolarHBondContact O-N 3.49Å
86E77.4Confident76.6Confident103 Ų10384.3 Ų84.348%0.48144%0.441SS..Hα-helixtrans-66.9-42.8179.8-167.1-178.6137.500112.1Q82 D83 S88 K89 K90Q82-E86 PolarHBondContact O-N 2.93Å; D83-E86 PolarHBondContact O-N 2.9Å; E86-S88 VanDerWaalsContact C-N 3.25Å; E86-S88 PolarHBondContact O-N 3.37Å; E86-K89 PolarHBondContact O-N 3.25Å; E86-K89 VanDerWaalsContact O-N 3.16Å; E86-K90 PolarHBondContact O-N 2.88Å; E86-K90 VanDerWaalsContact O-N 3.09Å; E86-K90 WeakPolarHBondContact OE1-CE 3.26Å; E86-K90 IonicContact OE1-NZ 2.56Å; E86-K90 PolarHBondContact OE1-NZ 2.89Å
87M73Confident77.6Confident43 Ų4382.9 Ų82.921%0.21243%0.431CS..Hα-helixtrans-61.7-34.1173.3-72-60.4-61.100112.1D83 L91 L239 S242D83-M87 VanDerWaalsContact O-CB 3.3Å; D83-M87 WeakPolarHBondContact O-CB 3.46Å; D83-M87 WeakPolarHBondContact O-CG 3.38Å; D83-M87 PolarHBondContact O-N 3.32Å; M87-L91 WeakPolarHBondContact O-CB 3.48Å; M87-L91 PolarHBondContact O-N 3.22Å; M87-L239 HydrophobicContact CE-CD2 3.58Å; M87-L239 HydrophobicContact SD-CD2 4.49Å; M87-S242 WeakPolarHBondContact CE-OG 3.37Å
88S76.5Confident78.6Confident27 Ų2781.1 Ų81.119%0.18942%0.417CS..Hα-helixtrans-72.7-31.5175.3-590000112.9V84 V85 E86 L91 T92 K243V84-S88 VanDerWaalsContact O-CB 3.23Å; V84-S88 WeakPolarHBondContact O-CB 3.35Å; V84-S88 PolarHBondContact O-N 3.33Å; V84-S88 PolarHBondContact O-OG 3.28Å; V85-S88 PolarHBondContact O-N 3.31Å; E86-S88 VanDerWaalsContact C-N 3.25Å; E86-S88 PolarHBondContact O-N 3.37Å; S88-L91 WeakPolarHBondContact O-CB 3.19Å; S88-L91 PolarHBondContact O-N 3.49Å; S88-T92 PolarHBondContact O-N 2.98Å; S88-T92 PolarHBondContact O-OG1 2.94Å; S88-K243 PolarHBondContact OG-NZ 3.24Å
89K85Confident79.1Confident141 Ų14181.8 Ų81.861%0.61341%0.407SS*.Hα-helixtrans-65.7-47172.5-73.3-177.9176.6-173.40112.1V85 E86 L91 T92 E93V85-K89 PolarHBondContact O-N 3.49Å; E86-K89 PolarHBondContact O-N 3.25Å; E86-K89 VanDerWaalsContact O-N 3.16Å; K89-L91 VanDerWaalsContact C-N 3.26Å; K89-L91 PolarHBondContact O-N 3.46Å; K89-T92 WeakPolarHBondContact CA-OG1 3.42Å; K89-T92 PolarHBondContact O-N 2.8Å; K89-T92 PolarHBondContact O-OG1 2.79Å; K89-E93 WeakPolarHBondContact O-CB 3.42Å; K89-E93 PolarHBondContact O-N 2.95Å
90K84.3Confident79.8Confident84 Ų8478.8 Ų78.837%0.36540%0.395SS..Hα-helixtrans-62.8-36.3176-68174.8-172165.20111.5E86 E93 V94 L239E86-K90 PolarHBondContact O-N 2.88Å; E86-K90 VanDerWaalsContact O-N 3.09Å; E86-K90 WeakPolarHBondContact OE1-CE 3.26Å; E86-K90 IonicContact OE1-NZ 2.56Å; E86-K90 PolarHBondContact OE1-NZ 2.89Å; K90-E93 PolarHBondContact O-N 3.49Å; K90-V94 WeakPolarHBondContact O-CG2 3.49Å; K90-V94 PolarHBondContact O-N 2.93Å; K90-L239 HydrophobicContact CB-CD1 4.29Å; K90-L239 HydrophobicContact CB-CD2 4.22Å
91L81.9Confident81.4Confident18 Ų1877.7 Ų77.79%0.09439%0.387CS..Hα-helixtrans-58.9-51.8172.8-165.576.5000111.5M87 S88 K89 E93 V94 E95 L236 L239 K240 K243M87-L91 WeakPolarHBondContact O-CB 3.48Å; M87-L91 PolarHBondContact O-N 3.22Å; S88-L91 WeakPolarHBondContact O-CB 3.19Å; S88-L91 PolarHBondContact O-N 3.49Å; K89-L91 VanDerWaalsContact C-N 3.26Å; K89-L91 PolarHBondContact O-N 3.46Å; L91-E93 VanDerWaalsContact C-N 3.35Å; L91-E93 PolarHBondContact O-N 2.85Å; L91-V94 PolarHBondContact O-N 3.25Å; L91-E95 WeakPolarHBondContact O-CB 3.3Å; L91-E95 WeakPolarHBondContact O-CG 3.41Å; L91-E95 PolarHBondContact O-N 3.28Å; L91-L236 HydrophobicContact CD1-CD1 3.58Å; L91-L236 HydrophobicContact CG-CD1 4.26Å; L91-L239 HydrophobicContact CD1-CB 3.84Å; L91-K240 HydrophobicContact CD1-CD 4.41Å; L91-K240 HydrophobicContact CD1-CG 3.59Å; L91-K243 HydrophobicContact CD2-CD 4.38Å
92T83.5Confident82.1Confident82 Ų8276.4 Ų76.450%0.50338%0.379SS..Hα-helixtrans-65.5-35.3178.846.80000113.1S88 K89 E95 E96S88-T92 PolarHBondContact O-N 2.98Å; S88-T92 PolarHBondContact O-OG1 2.94Å; K89-T92 WeakPolarHBondContact CA-OG1 3.42Å; K89-T92 PolarHBondContact O-N 2.8Å; K89-T92 PolarHBondContact O-OG1 2.79Å; T92-E95 PolarHBondContact O-N 2.95Å; T92-E96 WeakPolarHBondContact O-CB 3.46Å; T92-E96 PolarHBondContact O-N 3.01Å
93E88.5Confident82.9Confident111 Ų11173.7 Ų73.752%0.51937%0.369SS..Hα-helixtrans-66.6-37.8177.8-175.5179.6174.600112.2K89 K90 L91 Q97K89-E93 WeakPolarHBondContact O-CB 3.42Å; K89-E93 PolarHBondContact O-N 2.95Å; K90-E93 PolarHBondContact O-N 3.49Å; L91-E93 VanDerWaalsContact C-N 3.35Å; L91-E93 PolarHBondContact O-N 2.85Å; E93-Q97 WeakPolarHBondContact O-CB 3.5Å; E93-Q97 WeakPolarHBondContact O-CG 3.48Å; E93-Q97 PolarHBondContact O-N 2.71Å; E93-Q97 VanDerWaalsContact O-N 3.07Å
94V87.6Confident83.7Confident7 Ų770.5 Ų70.54%0.04235%0.35CS..Hα-helixtrans-75.2-35174173.70000111.4K90 L91 L98 L232 E235 L236 L239K90-V94 WeakPolarHBondContact O-CG2 3.49Å; K90-V94 PolarHBondContact O-N 2.93Å; L91-V94 PolarHBondContact O-N 3.25Å; V94-L98 VanDerWaalsContact O-CB 3.29Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 PolarHBondContact O-N 3.18Å; V94-L232 HydrophobicContact CG1-CB 4.5Å; V94-L232 HydrophobicContact CG1-CD2 4.13Å; V94-E235 HydrophobicContact CG1-CB 4.41Å; V94-E235 HydrophobicContact CG1-CG 4.47Å; V94-E235 HydrophobicContact CG2-CG 4.11Å; V94-L236 HydrophobicContact CG1-CB 3.88Å; V94-L236 HydrophobicContact CG1-CD1 4.32Å; V94-L239 HydrophobicContact CB-CD1 4.13Å; V94-L239 HydrophobicContact CG2-CD1 3.72Å
95E85.2Confident84.5Confident62 Ų6269.6 Ų69.629%0.2935%0.345SS..Hα-helixtrans-66.7-38.8173.6-71.7176.9148.100112L91 T92 L98 I99 L236 K240L91-E95 WeakPolarHBondContact O-CB 3.3Å; L91-E95 WeakPolarHBondContact O-CG 3.41Å; L91-E95 PolarHBondContact O-N 3.28Å; T92-E95 PolarHBondContact O-N 2.95Å; E95-L98 PolarHBondContact O-N 2.81Å; E95-I99 WeakPolarHBondContact O-CG1 3.37Å; E95-I99 PolarHBondContact O-N 3.4Å; E95-I99 VanDerWaalsContact O-N 3.14Å; E95-L236 HydrophobicContact CG-CD1 3.48Å; E95-L236 VanDerWaalsContact CG-CD1 3.48Å; E95-L236 HydrophobicContact CG-CD2 3.93Å; E95-L236 HydrophobicContact CG-CG 4.37Å; E95-K240 WeakPolarHBondContact OE1-CE 3.4Å; E95-K240 IonicContact OE1-NZ 2.76Å; E95-K240 PolarHBondContact OE1-NZ 2.89Å
96E87.1Confident85.1Confident146 Ų14671.5 Ų71.568%0.68235%0.353SS*.Hα-helixtrans-65.9-46.3173.9-174.5172.5-164.500111.8T92 L98 I99 E100T92-E96 WeakPolarHBondContact O-CB 3.46Å; T92-E96 PolarHBondContact O-N 3.01Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 2.97Å; E96-I99 PolarHBondContact O-N 3.43Å; E96-E100 PolarHBondContact O-N 2.94Å; E96-E100 VanDerWaalsContact O-N 3.1Å
97Q87.5Confident85.7Confident62 Ų6272.5 Ų72.529%0.2936%0.362SS..Hα-helixtrans-63.8-30.7173.5-77.2-175.961.400113.3E93 R101 L232E93-Q97 WeakPolarHBondContact O-CB 3.5Å; E93-Q97 WeakPolarHBondContact O-CG 3.48Å; E93-Q97 PolarHBondContact O-N 2.71Å; E93-Q97 VanDerWaalsContact O-N 3.07Å; Q97-R101 VanDerWaalsContact O-CG 3.25Å; Q97-R101 WeakPolarHBondContact O-CG 3.41Å; Q97-R101 PolarHBondContact O-N 3.2Å; Q97-L232 HydrophobicContact CB-CD1 4.04Å; Q97-L232 HydrophobicContact CB-CD2 4.08Å
98L86.7Confident86.5Confident31 Ų3170.6 Ų70.616%0.16235%0.352CS..Hα-helixtrans-67.6-42.8176.1-173.669.8000110.7V94 E95 E96 R101 C102 V229 L232 E233 L236V94-L98 VanDerWaalsContact O-CB 3.29Å; V94-L98 WeakPolarHBondContact O-CB 3.42Å; V94-L98 PolarHBondContact O-N 3.18Å; E95-L98 PolarHBondContact O-N 2.81Å; E96-L98 VanDerWaalsContact C-N 3.28Å; E96-L98 PolarHBondContact O-N 2.97Å; L98-R101 PolarHBondContact O-N 2.93Å; L98-C102 PolarHBondContact O-N 2.98Å; L98-C102 PolarHBondContact O-SG 3.35Å; L98-C102 VanDerWaalsContact O-SG 3.32Å; L98-V229 HydrophobicContact CD1-CB 4.45Å; L98-V229 HydrophobicContact CD1-CG1 3.94Å; L98-V229 HydrophobicContact CD1-CG2 4.38Å; L98-L232 HydrophobicContact CD1-CB 3.88Å; L98-E233 HydrophobicContact CD1-CG 3.84Å; L98-L236 HydrophobicContact CD2-CD2 3.91Å
99I85.6Confident87.3Confident104 Ų10474.2 Ų74.253%0.53337%0.365SS..Hα-helixtrans-61.9-51.4177.1-66.7162.4000110.5E95 E96 R101 C102 D103E95-I99 WeakPolarHBondContact O-CG1 3.37Å; E95-I99 PolarHBondContact O-N 3.4Å; E95-I99 VanDerWaalsContact O-N 3.14Å; E96-I99 PolarHBondContact O-N 3.43Å; I99-R101 PolarHBondContact O-N 3.49Å; I99-R101 VanDerWaalsContact O-N 3.13Å; I99-C102 WeakPolarHBondContact O-CB 3.29Å; I99-C102 PolarHBondContact O-N 2.87Å; I99-D103 PolarHBondContact O-N 3.41Å
100E87Confident87.4Confident110 Ų11069.8 Ų69.851%0.51436%0.355SS..Hα-helixtrans-55.5-35.7179.9-169.4-159.6-139.400112.8E96 E104E96-E100 PolarHBondContact O-N 2.94Å; E96-E100 VanDerWaalsContact O-N 3.1Å; E100-E104 PolarHBondContact O-N 3.04Å
101R88.5Confident87.7Confident58 Ų5869.6 Ų69.622%0.21936%0.355CS..Hα-helixtrans-83.8-25.6179-56.2-64.5148.353.8-2113.3Q97 L98 I99 I105 V229 L232Q97-R101 VanDerWaalsContact O-CG 3.25Å; Q97-R101 WeakPolarHBondContact O-CG 3.41Å; Q97-R101 PolarHBondContact O-N 3.2Å; L98-R101 PolarHBondContact O-N 2.93Å; I99-R101 PolarHBondContact O-N 3.49Å; I99-R101 VanDerWaalsContact O-N 3.13Å; R101-I105 WeakPolarHBondContact O-CB 3.23Å; R101-I105 WeakPolarHBondContact O-CD1 3.3Å; R101-I105 WeakPolarHBondContact O-CG1 3.4Å; R101-I105 PolarHBondContact O-N 2.9Å; R101-V229 HydrophobicContact CB-CG2 3.55Å; R101-L232 HydrophobicContact CG-CD1 4.08Å
102C86.4Confident88.1Confident53 Ų5370.6 Ų70.636%0.35836%0.358SS..Hα-helixtrans-65.4-42.5167.1-74.80000110.8L98 I99 I105 D106L98-C102 PolarHBondContact O-N 2.98Å; L98-C102 PolarHBondContact O-SG 3.35Å; L98-C102 VanDerWaalsContact O-SG 3.32Å; I99-C102 WeakPolarHBondContact O-CB 3.29Å; I99-C102 PolarHBondContact O-N 2.87Å; C102-I105 WeakPolarHBondContact O-CB 3.33Å; C102-I105 PolarHBondContact O-N 3.45Å; C102-D106 PolarHBondContact O-N 3.49Å
103D88.3Confident88.4Confident99 Ų9971.2 Ų71.253%0.52936%0.358SS..Hα-helixtrans-63.5-46.5175.5-64.1-18.3000111.2I99 I105 D106 D107I99-D103 PolarHBondContact O-N 3.41Å; D103-I105 VanDerWaalsContact C-N 3.26Å; D103-I105 PolarHBondContact O-N 3.03Å; D103-D106 PolarHBondContact O-N 2.85Å; D103-D106 VanDerWaalsContact O-N 3.12Å; D103-D107 PolarHBondContact O-N 2.96Å
104E89.3Confident88.4Confident57 Ų5770.9 Ų70.927%0.26636%0.36SS..Hα-helixtrans-59.7-36.9174.6-160-154.3-178.200112.1E100 D106 L108 R221 S225E100-E104 PolarHBondContact O-N 3.04Å; E104-D106 VanDerWaalsContact C-N 3.35Å; E104-L108 HydrophobicContact CG-CD1 3.92Å; E104-L108 HydrophobicContact CG-CG 4.47Å; E104-L108 VanDerWaalsContact O-CB 3.23Å; E104-L108 WeakPolarHBondContact O-CB 3.35Å; E104-L108 WeakPolarHBondContact O-CD1 3.35Å; E104-L108 WeakPolarHBondContact O-CG 3.18Å; E104-L108 PolarHBondContact O-N 3.49Å; E104-R221 IonicContact OE1-CZ 2.74Å; E104-R221 IonicContact OE1-NE 2.73Å; E104-R221 IonicContact OE1-NH2 3.85Å; E104-R221 PolarHBondContact OE1-NH2 3.27Å; E104-S225 WeakPolarHBondContact OE2-CB 3.47Å; E104-S225 PolarHBondContact OE2-OG 3.26Å
105I90Very high88.5Confident12 Ų1271.6 Ų71.66%0.06236%0.363CS..Hα-helixtrans-64.6-38176.9-80.2168.7000111.6R101 C102 D103 L108 K109 L222 Q226 V229R101-I105 WeakPolarHBondContact O-CB 3.23Å; R101-I105 WeakPolarHBondContact O-CD1 3.3Å; R101-I105 WeakPolarHBondContact O-CG1 3.4Å; R101-I105 PolarHBondContact O-N 2.9Å; C102-I105 WeakPolarHBondContact O-CB 3.33Å; C102-I105 PolarHBondContact O-N 3.45Å; D103-I105 VanDerWaalsContact C-N 3.26Å; D103-I105 PolarHBondContact O-N 3.03Å; I105-L108 PolarHBondContact O-N 2.94Å; I105-K109 HydrophobicContact CG2-CD 4.29Å; I105-K109 VanDerWaalsContact CG2-CE 3.42Å; I105-K109 VanDerWaalsContact O-CG 3.26Å; I105-K109 WeakPolarHBondContact O-CG 3.38Å; I105-K109 PolarHBondContact O-N 3.36Å; I105-L222 HydrophobicContact CB-CD1 4.35Å; I105-L222 HydrophobicContact CG1-CD1 4.3Å; I105-L222 HydrophobicContact CG2-CD1 4Å; I105-Q226 HydrophobicContact CD1-CB 4.41Å; I105-Q226 HydrophobicContact CD1-CG 3.86Å; I105-Q226 HydrophobicContact CG1-CG 4.16Å; I105-V229 HydrophobicContact CD1-CB 4.02Å; I105-V229 HydrophobicContact CD1-CG2 3.48Å; I105-V229 VanDerWaalsContact CD1-CG2 3.48Å
106D88Confident88.6Confident91 Ų9172.9 Ų72.949%0.48737%0.367SS..Hα-helixtrans-76.1-38.1-179.6-78.6-2.7000112.1C102 D103 E104 L108 K109 A110C102-D106 PolarHBondContact O-N 3.49Å; D103-D106 PolarHBondContact O-N 2.85Å; D103-D106 VanDerWaalsContact O-N 3.12Å; E104-D106 VanDerWaalsContact C-N 3.35Å; D106-L108 VanDerWaalsContact C-N 3.34Å; D106-L108 PolarHBondContact O-N 3.13Å; D106-K109 PolarHBondContact O-N 2.72Å; D106-K109 WeakPolarHBondContact OD1-CD 3.39Å; D106-K109 WeakPolarHBondContact OD1-CE 3.34Å; D106-K109 IonicContact OD1-NZ 3.65Å; D106-K109 PolarHBondContact OD1-NZ 3.1Å; D106-A110 PolarHBondContact O-N 3.06Å
107D89.3Confident88.7Confident125 Ų12570.5 Ų70.567%0.66836%0.358SS*.Hα-helixtrans-57.7-45.2166.5-92.3-10.8000111.6D103 K109 A110 E111D103-D107 PolarHBondContact O-N 2.96Å; D107-K109 PolarHBondContact O-N 3.38Å; D107-A110 WeakPolarHBondContact O-CB 3.26Å; D107-A110 PolarHBondContact O-N 3.1Å; D107-E111 PolarHBondContact O-N 3.45Å
108L91.1Very high88.8Confident2 Ų270.8 Ų70.81%0.0136%0.361CS..Hα-helixtrans-68.5-31.7178.5-78.7167.1000113.3E104 I105 D106 R112 V218 R221 L222E104-L108 HydrophobicContact CG-CD1 3.92Å; E104-L108 HydrophobicContact CG-CG 4.47Å; E104-L108 VanDerWaalsContact O-CB 3.23Å; E104-L108 WeakPolarHBondContact O-CB 3.35Å; E104-L108 WeakPolarHBondContact O-CD1 3.35Å; E104-L108 WeakPolarHBondContact O-CG 3.18Å; E104-L108 PolarHBondContact O-N 3.49Å; I105-L108 PolarHBondContact O-N 2.94Å; D106-L108 VanDerWaalsContact C-N 3.34Å; D106-L108 PolarHBondContact O-N 3.13Å; L108-R112 WeakPolarHBondContact O-CB 3.48Å; L108-R112 PolarHBondContact O-N 2.82Å; L108-V218 HydrophobicContact CD2-CG1 4.09Å; L108-R221 HydrophobicContact CD1-CB 4.02Å; L108-R221 HydrophobicContact CD2-CB 3.73Å; L108-L222 HydrophobicContact CB-CB 4.16Å; L108-L222 HydrophobicContact CB-CD1 3.91Å
109K91.5Very high89Confident103 Ų10370.5 Ų70.545%0.44836%0.36SS..Hα-helixtrans-64.6-43169-75166.8-166.7158.40110.7I105 D106 D107 R112 N113 L222I105-K109 HydrophobicContact CG2-CD 4.29Å; I105-K109 VanDerWaalsContact CG2-CE 3.42Å; I105-K109 VanDerWaalsContact O-CG 3.26Å; I105-K109 WeakPolarHBondContact O-CG 3.38Å; I105-K109 PolarHBondContact O-N 3.36Å; D106-K109 PolarHBondContact O-N 2.72Å; D106-K109 WeakPolarHBondContact OD1-CD 3.39Å; D106-K109 WeakPolarHBondContact OD1-CE 3.34Å; D106-K109 IonicContact OD1-NZ 3.65Å; D106-K109 PolarHBondContact OD1-NZ 3.1Å; D107-K109 PolarHBondContact O-N 3.38Å; K109-R112 PolarHBondContact O-N 3.32Å; K109-N113 WeakPolarHBondContact O-CB 3.47Å; K109-N113 PolarHBondContact O-N 3.22Å; K109-L222 HydrophobicContact CG-CD1 4.27Å; K109-L222 HydrophobicContact CG-CD2 4.44Å
110A88.6Confident89.2Confident49 Ų4971 Ų7141%0.40536%0.36SS..Hα-helixtrans-66.3-45.8178.300000112D106 D107 R112 N113 N114D106-A110 PolarHBondContact O-N 3.06Å; D107-A110 WeakPolarHBondContact O-CB 3.26Å; D107-A110 PolarHBondContact O-N 3.1Å; A110-R112 VanDerWaalsContact C-N 3.3Å; A110-R112 PolarHBondContact O-N 3.43Å; A110-N113 PolarHBondContact O-N 3.29Å; A110-N114 PolarHBondContact O-N 2.9Å; A110-N114 PolarHBondContact O-ND2 2.92Å
111E89.8Confident89.2Confident80 Ų8071.5 Ų71.537%0.37436%0.362SS..Hα-helixtrans-56.2-44.9173.4-170.5-179.7-167.500110.8D107 N114 M115 V218 R221D107-E111 PolarHBondContact O-N 3.45Å; E111-N114 PolarHBondContact O-N 3.16Å; E111-M115 PolarHBondContact O-N 3.41Å; E111-V218 HydrophobicContact CB-CG1 4.05Å; E111-V218 VanDerWaalsContact CD-CG2 3.48Å; E111-V218 HydrophobicContact CG-CG1 4.03Å; E111-V218 HydrophobicContact CG-CG2 3.9Å; E111-R221 IonicContact OE2-NH1 2.83Å
112R90.5Very high89.4Confident39 Ų3969.1 Ų69.115%0.14735%0.353CS..Hα-helixtrans-66.5-40.5177.9-157.9-177-176.5176.66.7113L108 K109 A110 N114 M115 K116 D215 V218 H219L108-R112 WeakPolarHBondContact O-CB 3.48Å; L108-R112 PolarHBondContact O-N 2.82Å; K109-R112 PolarHBondContact O-N 3.32Å; A110-R112 VanDerWaalsContact C-N 3.3Å; A110-R112 PolarHBondContact O-N 3.43Å; R112-N114 VanDerWaalsContact C-N 3.32Å; R112-N114 PolarHBondContact O-N 3.4Å; R112-M115 PolarHBondContact O-N 2.89Å; R112-K116 PolarHBondContact O-N 3.35Å; R112-D215 WeakPolarHBondContact CG-OD1 3.44Å; R112-D215 IonicContact CZ-OD1 3.69Å; R112-D215 IonicContact CZ-OD2 3.13Å; R112-D215 IonicContact NE-OD1 3.96Å; R112-D215 PolarHBondContact NE-OD1 3.36Å; R112-D215 IonicContact NE-OD2 2.64Å; R112-D215 PolarHBondContact NE-OD2 3.22Å; R112-D215 IonicContact NH2-OD1 2.69Å; R112-D215 IonicContact NH2-OD2 3.22Å; R112-D215 PolarHBondContact NH2-OD2 2.86Å; R112-V218 HydrophobicContact CB-CG1 3.92Å; R112-V218 HydrophobicContact CG-CG1 4.41Å; R112-H219 VanDerWaalsContact CZ-CG 3.49Å; R112-H219 PolarHBondContact NH1-CD2 3.35Å; R112-H219 PolarHBondContact NH1-CE1 3.16Å; R112-H219 PolarHBondContact NH1-ND1 2.77Å; R112-H219 PolarHBondContact NH1-NE2 3.03Å; R112-H219 PolarHBondContact NH2-CD2 3.08Å
113N89.7Confident89.6Confident94 Ų9470.6 Ų70.650%0.50336%0.355SS..Hα-helixtrans-61.1-43.9178.1-168.651.3000111.2K109 A110 M115 K116 I117K109-N113 WeakPolarHBondContact O-CB 3.47Å; K109-N113 PolarHBondContact O-N 3.22Å; A110-N113 PolarHBondContact O-N 3.29Å; N113-M115 VanDerWaalsContact C-N 3.34Å; N113-M115 PolarHBondContact O-N 3.49Å; N113-K116 PolarHBondContact O-N 2.86Å; N113-I117 WeakPolarHBondContact O-CG1 3.35Å; N113-I117 PolarHBondContact O-N 3.5Å; N113-I117 VanDerWaalsContact O-N 3.15Å
114N88.4Confident89.6Confident105 Ų10569.2 Ų69.256%0.56135%0.348SS*.Hα-helixtrans-61.8-40.4174.7-67-26.8000112A110 E111 R112 I117 L118A110-N114 PolarHBondContact O-N 2.9Å; A110-N114 PolarHBondContact O-ND2 2.92Å; E111-N114 PolarHBondContact O-N 3.16Å; R112-N114 VanDerWaalsContact C-N 3.32Å; R112-N114 PolarHBondContact O-N 3.4Å; N114-I117 PolarHBondContact O-N 3.08Å; N114-L118 WeakPolarHBondContact O-CB 3.21Å; N114-L118 PolarHBondContact O-N 3.37Å; N114-L118 VanDerWaalsContact O-N 3.11Å
115M89.3Confident89.6Confident21 Ų2169.1 Ų69.110%0.10335%0.349CS..Hα-helixtrans-65-39176.7-1626562.400112.6E111 R112 N113 L118 L119 H211 L214 D215E111-M115 PolarHBondContact O-N 3.41Å; R112-M115 PolarHBondContact O-N 2.89Å; N113-M115 VanDerWaalsContact C-N 3.34Å; N113-M115 PolarHBondContact O-N 3.49Å; M115-L118 PolarHBondContact O-N 3.49Å; M115-L119 HydrophobicContact CG-CD1 4.39Å; M115-L119 WeakPolarHBondContact O-CB 3.29Å; M115-L119 WeakPolarHBondContact O-CG 3.5Å; M115-L119 PolarHBondContact O-N 2.94Å; M115-H211 HydrophobicContact SD-CB 4.05Å; M115-H211 PolarHBondContact SD-ND1 3.02Å; M115-L214 HydrophobicContact CE-CB 3.69Å; M115-L214 HydrophobicContact CE-CD1 4.27Å; M115-L214 HydrophobicContact SD-CB 3.96Å; M115-D215 HydrophobicContact CB-CB 4.49Å; M115-D215 HydrophobicContact CG-CB 3.71Å
116K88.8Confident89.6Confident89 Ų8969.4 Ų69.439%0.38735%0.351SS..Hα-helixtrans-62.6-47.3175.6-75.9-169.8173.4-158.70112.6R112 N113 L118 L119 E120R112-K116 PolarHBondContact O-N 3.35Å; N113-K116 PolarHBondContact O-N 2.86Å; K116-L118 VanDerWaalsContact C-N 3.28Å; K116-L118 PolarHBondContact O-N 2.94Å; K116-L119 PolarHBondContact O-N 3.33Å; K116-E120 PolarHBondContact O-N 2.98Å
117I87.7Confident89.6Confident97 Ų9766.6 Ų66.650%0.49734%0.34SS..Hα-helixtrans-60.5-40.7177.9-64.9164.5000110.5N113 N114 E120 H121N113-I117 WeakPolarHBondContact O-CG1 3.35Å; N113-I117 PolarHBondContact O-N 3.5Å; N113-I117 VanDerWaalsContact O-N 3.15Å; N114-I117 PolarHBondContact O-N 3.08Å; I117-E120 PolarHBondContact O-N 3.23Å; I117-H121 PolarHBondContact O-N 2.96Å
118L90.6Very high89.3Confident68 Ų6869.1 Ų69.136%0.35634%0.341SS..Hα-helixtrans-66.4-39.2176.1-178.456.1000112.6N114 M115 K116 H121 L122 H211N114-L118 WeakPolarHBondContact O-CB 3.21Å; N114-L118 PolarHBondContact O-N 3.37Å; N114-L118 VanDerWaalsContact O-N 3.11Å; M115-L118 PolarHBondContact O-N 3.49Å; K116-L118 VanDerWaalsContact C-N 3.28Å; K116-L118 PolarHBondContact O-N 2.94Å; L118-H121 PolarHBondContact O-N 3.36Å; L118-L122 HydrophobicContact CD1-CD1 4.19Å; L118-L122 HydrophobicContact CD1-CG 4.28Å; L118-L122 HydrophobicContact CG-CD1 4.1Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 VanDerWaalsContact O-CG 3.29Å; L118-L122 WeakPolarHBondContact O-CG 3.38Å; L118-L122 PolarHBondContact O-N 3Å; L118-H211 VanDerWaalsContact CD2-CE1 3.42Å; L118-H211 WeakPolarHBondContact CD2-CE1 3.39Å; L118-H211 WeakPolarHBondContact CD2-ND1 3.41Å
119L91.7Very high89.1Confident25 Ų2571.6 Ų71.613%0.13135%0.352CS..Hα-helixtrans-65.9-42.5175.2-79.1169.1000112.5M115 K116 H121 L122 E123 F208 H211 K212 D215M115-L119 HydrophobicContact CG-CD1 4.39Å; M115-L119 WeakPolarHBondContact O-CB 3.29Å; M115-L119 WeakPolarHBondContact O-CG 3.5Å; M115-L119 PolarHBondContact O-N 2.94Å; K116-L119 PolarHBondContact O-N 3.33Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.86Å; L119-L122 PolarHBondContact O-N 3.3Å; L119-E123 WeakPolarHBondContact O-CB 3.47Å; L119-E123 PolarHBondContact O-N 3.49Å; L119-F208 HydrophobicContact CD2-CD2 3.83Å; L119-F208 HydrophobicContact CD2-CE2 3.79Å; L119-F208 HydrophobicContact CD2-CZ 4.46Å; L119-H211 HydrophobicContact CD2-CB 3.89Å; L119-H211 HydrophobicContact CG-CB 4.37Å; L119-K212 HydrophobicContact CD2-CB 4.09Å; L119-D215 HydrophobicContact CD1-CB 3.89Å
120E88.7Confident88.9Confident115 Ų11569 Ų6954%0.53734%0.341SS..Hα-helixtrans-61-42.1174.7-164.8-155.914500111.3K116 I117 N124K116-E120 PolarHBondContact O-N 2.98Å; I117-E120 PolarHBondContact O-N 3.23Å; E120-N124 WeakPolarHBondContact O-CB 3.27Å; E120-N124 PolarHBondContact O-N 3.35Å; E120-N124 PolarHBondContact O-ND2 3.38Å
121H87.8Confident88.6Confident120 Ų12073.6 Ų73.656%0.55635%0.352SS*.Hα-helixtrans-64-44.4175.9-170.591.3000111.9I117 L118 L119 N124 L125I117-H121 PolarHBondContact O-N 2.96Å; L118-H121 PolarHBondContact O-N 3.36Å; L119-H121 VanDerWaalsContact C-N 3.32Å; L119-H121 PolarHBondContact O-N 2.86Å; H121-N124 PolarHBondContact O-N 3.43Å; H121-L125 WeakPolarHBondContact O-CB 3.35Å; H121-L125 PolarHBondContact O-N 3.3Å
122L92.2Very high88.2Confident7 Ų772.2 Ų72.24%0.03735%0.351CS..Hα-helixtrans-67.1-39.1178.2-73.7171000112.4L118 L119 L125 V126 L207 F208 H211L118-L122 HydrophobicContact CD1-CD1 4.19Å; L118-L122 HydrophobicContact CD1-CG 4.28Å; L118-L122 HydrophobicContact CG-CD1 4.1Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 VanDerWaalsContact O-CG 3.29Å; L118-L122 WeakPolarHBondContact O-CG 3.38Å; L118-L122 PolarHBondContact O-N 3Å; L119-L122 PolarHBondContact O-N 3.3Å; L122-L125 PolarHBondContact O-N 2.83Å; L122-V126 WeakPolarHBondContact O-CB 3.36Å; L122-V126 WeakPolarHBondContact O-CG2 3.5Å; L122-V126 PolarHBondContact O-N 3.09Å; L122-L207 HydrophobicContact CD1-CG 4.18Å; L122-L207 HydrophobicContact CD2-CD2 3.78Å; L122-L207 HydrophobicContact CD2-CG 4.14Å; L122-F208 HydrophobicContact CB-CB 4.39Å; L122-F208 HydrophobicContact CB-CD2 3.86Å; L122-H211 HydrophobicContact CD1-CB 4.21Å
123E90.7Very high87.8Confident84 Ų8471.1 Ų71.139%0.39335%0.349SS..Hα-helixtrans-61.8-47.7173.6-173.1179.716700110.8L119 L125 V126 A127 F208L119-E123 WeakPolarHBondContact O-CB 3.47Å; L119-E123 PolarHBondContact O-N 3.49Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 2.72Å; E123-V126 PolarHBondContact O-N 2.8Å; E123-A127 VanDerWaalsContact O-CB 3.27Å; E123-A127 WeakPolarHBondContact O-CB 3.43Å; E123-A127 PolarHBondContact O-N 2.86Å; E123-F208 HydrophobicContact CB-CE2 3.88Å
124N87.7Confident87.3Confident71 Ų7171.4 Ų71.438%0.3834%0.343SS..Hα-helixtrans-57.6-41174.6-88.7-74.5000112E120 H121 A127 R128E120-N124 WeakPolarHBondContact O-CB 3.27Å; E120-N124 PolarHBondContact O-N 3.35Å; E120-N124 PolarHBondContact O-ND2 3.38Å; H121-N124 PolarHBondContact O-N 3.43Å; N124-A127 PolarHBondContact O-N 3Å; N124-R128 WeakPolarHBondContact O-CB 3.3Å; N124-R128 VanDerWaalsContact O-CG 3.23Å; N124-R128 WeakPolarHBondContact O-CG 3.41Å; N124-R128 PolarHBondContact O-N 3.33Å
125L88.7Confident86.5Confident54 Ų5472 Ų7228%0.28334%0.343SS..Hα-helixtrans-70.3-41.3-179.7-16859.6000112.2H121 L122 E123 R128 H129 L204H121-L125 WeakPolarHBondContact O-CB 3.35Å; H121-L125 PolarHBondContact O-N 3.3Å; L122-L125 PolarHBondContact O-N 2.83Å; E123-L125 VanDerWaalsContact C-N 3.28Å; E123-L125 PolarHBondContact O-N 2.72Å; L125-R128 PolarHBondContact O-N 2.83Å; L125-H129 PolarHBondContact O-N 3.06Å; L125-H129 PolarHBondContact O-ND1 3.21Å; L125-L204 HydrophobicContact CD2-CD2 3.66Å; L125-L204 HydrophobicContact CG-CD1 4.16Å; L125-L204 HydrophobicContact CG-CD2 4.12Å
126V89.8Confident85.9Confident19 Ų1973 Ų7312%0.11535%0.35CS..Hα-helixtrans-62.1-45.9171.6168.80000110.6L122 E123 R128 H129 E130 L201 L204 K205L122-V126 WeakPolarHBondContact O-CB 3.36Å; L122-V126 WeakPolarHBondContact O-CG2 3.5Å; L122-V126 PolarHBondContact O-N 3.09Å; E123-V126 PolarHBondContact O-N 2.8Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 3.14Å; V126-H129 PolarHBondContact O-N 3.37Å; V126-E130 WeakPolarHBondContact O-CB 3.29Å; V126-E130 PolarHBondContact O-N 3.22Å; V126-L201 HydrophobicContact CG1-CD1 4.48Å; V126-L204 HydrophobicContact CG2-CB 3.76Å; V126-K205 HydrophobicContact CG1-CD 4.3Å; V126-K205 VanDerWaalsContact CG1-CE 3.47Å; V126-K205 HydrophobicContact CG1-CG 3.79Å; V126-K205 HydrophobicContact CG2-CG 4.15Å
127A88.3Confident85.1Confident31 Ų3171.4 Ų71.426%0.25635%0.348SS..Hα-helixtrans-64.1-36.9179.300000112.5E123 N124 K131E123-A127 VanDerWaalsContact O-CB 3.27Å; E123-A127 WeakPolarHBondContact O-CB 3.43Å; E123-A127 PolarHBondContact O-N 2.86Å; N124-A127 PolarHBondContact O-N 3Å; A127-K131 VanDerWaalsContact O-CB 3.27Å; A127-K131 WeakPolarHBondContact O-CB 3.34Å; A127-K131 PolarHBondContact O-N 3.1Å
128R83.8Confident84.4Confident179 Ų17970.5 Ų70.568%0.67535%0.347SS*.Hα-helixtrans-65.5-47.6172.9-74.9172.9-170.9-153.25.5111.8N124 L125 V126 K131 S132N124-R128 WeakPolarHBondContact O-CB 3.3Å; N124-R128 VanDerWaalsContact O-CG 3.23Å; N124-R128 WeakPolarHBondContact O-CG 3.41Å; N124-R128 PolarHBondContact O-N 3.33Å; L125-R128 PolarHBondContact O-N 2.83Å; V126-R128 VanDerWaalsContact C-N 3.34Å; V126-R128 PolarHBondContact O-N 3.14Å; R128-K131 PolarHBondContact O-N 2.93Å; R128-S132 PolarHBondContact O-N 2.72Å
129H87.9Confident83.3Confident53 Ų5374.4 Ų74.425%0.24536%0.361CS..Hα-helixtrans-65.9-39.4178.4-77.484.6000112.6L125 V126 K131 S132 L133 L201 L204L125-H129 PolarHBondContact O-N 3.06Å; L125-H129 PolarHBondContact O-ND1 3.21Å; V126-H129 PolarHBondContact O-N 3.37Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 PolarHBondContact O-N 2.92Å; H129-S132 WeakPolarHBondContact O-CB 3.42Å; H129-S132 PolarHBondContact O-N 3.31Å; H129-L133 PolarHBondContact O-N 3.42Å; H129-L201 HydrophobicContact CB-CD1 3.73Å; H129-L204 HydrophobicContact CB-CD1 4.23Å; H129-L204 VanDerWaalsContact ND1-CD1 3.35Å; H129-L204 WeakPolarHBondContact ND1-CD1 3.17Å
130E86.1Confident81.8Confident49 Ų4978.6 Ų78.623%0.22938%0.375CS..Hα-helixtrans-68.1-35.3176.4-154.5-174.7114.700111.7V126 R134 L201 K205V126-E130 WeakPolarHBondContact O-CB 3.29Å; V126-E130 PolarHBondContact O-N 3.22Å; E130-R134 WeakPolarHBondContact O-CB 3.37Å; E130-R134 VanDerWaalsContact O-CD 3.27Å; E130-R134 WeakPolarHBondContact O-CD 3.39Å; E130-R134 WeakPolarHBondContact O-CG 3.34Å; E130-R134 PolarHBondContact O-N 3.48Å; E130-R134 IonicContact OE1-CZ 3.97Å; E130-R134 IonicContact OE1-NE 2.73Å; E130-R134 PolarHBondContact OE1-NE 3.5Å; E130-R134 IonicContact OE1-NH2 3.74Å; E130-R134 PolarHBondContact OE1-NH2 3.17Å; E130-L201 HydrophobicContact CB-CD1 4.02Å; E130-L201 HydrophobicContact CG-CD2 4.27Å; E130-K205 IonicContact OE2-NZ 2.79Å; E130-K205 PolarHBondContact OE2-NZ 2.62Å
131K83.1Confident80.3Confident145 Ų14579.3 Ų79.363%0.6338%0.378SS*.Hα-helixtrans-65.6-38.3171-173.3177.9177.8-177.70111.9A127 R128 H129 M135A127-K131 VanDerWaalsContact O-CB 3.27Å; A127-K131 WeakPolarHBondContact O-CB 3.34Å; A127-K131 PolarHBondContact O-N 3.1Å; R128-K131 PolarHBondContact O-N 2.93Å; H129-K131 VanDerWaalsContact C-N 3.32Å; H129-K131 PolarHBondContact O-N 2.92Å; K131-M135 WeakPolarHBondContact O-CB 3.35Å; K131-M135 VanDerWaalsContact O-CG 3.31Å; K131-M135 WeakPolarHBondContact O-CG 3.37Å; K131-M135 PolarHBondContact O-N 2.83Å
132S80.1Confident78.6Confident51 Ų5177.2 Ų77.236%0.35737%0.374SS..Hα-helixtrans-58.2-58.7172.7-176.20000110.8R128 H129 R134 M135 T136 E197R128-S132 PolarHBondContact O-N 2.72Å; H129-S132 WeakPolarHBondContact O-CB 3.42Å; H129-S132 PolarHBondContact O-N 3.31Å; S132-R134 VanDerWaalsContact C-N 3.3Å; S132-R134 PolarHBondContact O-N 2.79Å; S132-M135 CarbonylContact O-C 3.47Å; S132-M135 WeakPolarHBondContact O-CA 3.32Å; S132-M135 PolarHBondContact O-N 2.69Å; S132-T136 PolarHBondContact O-N 3.26Å; S132-T136 PolarHBondContact O-OG1 2.98Å; S132-E197 VanDerWaalsContact CB-OE1 3.24Å; S132-E197 WeakPolarHBondContact CB-OE1 3.42Å; S132-E197 PolarHBondContact OG-OE1 2.92Å
133L82.9Confident76.6Confident17 Ų1780.8 Ų80.89%0.08940%0.4CS..Hα-helixtrans-51.5-47.3177.1-81.2162.9000112.4H129 M135 T136 V137 E197 V198 L201H129-L133 PolarHBondContact O-N 3.42Å; L133-M135 PolarHBondContact O-N 2.67Å; L133-T136 PolarHBondContact O-N 3.45Å; L133-V137 WeakPolarHBondContact O-CB 3.21Å; L133-V137 VanDerWaalsContact O-CG2 3.26Å; L133-V137 WeakPolarHBondContact O-CG2 3.49Å; L133-V137 PolarHBondContact O-N 2.88Å; L133-E197 HydrophobicContact CD1-CG 4.47Å; L133-E197 HydrophobicContact CD2-CB 3.78Å; L133-E197 HydrophobicContact CD2-CG 3.62Å; L133-E197 WeakPolarHBondContact CD2-OE2 3.49Å; L133-E197 HydrophobicContact CG-CB 4.41Å; L133-E197 HydrophobicContact CG-CG 3.75Å; L133-E197 PolarHBondContact N-OE1 3.07Å; L133-V198 HydrophobicContact CD1-CG2 4.38Å; L133-V198 HydrophobicContact CD2-CG2 3.79Å; L133-L201 HydrophobicContact CD1-CB 3.89Å; L133-L201 HydrophobicContact CD1-CD1 4.31Å; L133-L201 HydrophobicContact CD1-CD2 3.73Å; L133-L201 HydrophobicContact CD1-CG 4.17Å
134R78.7Confident74.7Confident100 Ų10081.8 Ų81.838%0.37741%0.412SS..Hα-helixtrans-61.1-41177.4-72.5163.3176.1-11910.7112E130 S132 V138E130-R134 WeakPolarHBondContact O-CB 3.37Å; E130-R134 VanDerWaalsContact O-CD 3.27Å; E130-R134 WeakPolarHBondContact O-CD 3.39Å; E130-R134 WeakPolarHBondContact O-CG 3.34Å; E130-R134 PolarHBondContact O-N 3.48Å; E130-R134 IonicContact OE1-CZ 3.97Å; E130-R134 IonicContact OE1-NE 2.73Å; E130-R134 PolarHBondContact OE1-NE 3.5Å; E130-R134 IonicContact OE1-NH2 3.74Å; E130-R134 PolarHBondContact OE1-NH2 3.17Å; S132-R134 VanDerWaalsContact C-N 3.3Å; S132-R134 PolarHBondContact O-N 2.79Å; R134-V138 WeakPolarHBondContact O-CB 3.47Å; R134-V138 VanDerWaalsContact O-CG2 3.24Å; R134-V138 WeakPolarHBondContact O-CG2 3.23Å; R134-V138 PolarHBondContact O-N 3.21Å
135M72.4Confident72.6Confident116 Ų11681.9 Ų81.957%0.57142%0.422SS*.Hα-helixtrans-70.2-40.3175.6-72-58-56.700112.6K131 S132 L133 V138 K139K131-M135 WeakPolarHBondContact O-CB 3.35Å; K131-M135 VanDerWaalsContact O-CG 3.31Å; K131-M135 WeakPolarHBondContact O-CG 3.37Å; K131-M135 PolarHBondContact O-N 2.83Å; S132-M135 CarbonylContact O-C 3.47Å; S132-M135 WeakPolarHBondContact O-CA 3.32Å; S132-M135 PolarHBondContact O-N 2.69Å; L133-M135 PolarHBondContact O-N 2.67Å; M135-V138 PolarHBondContact O-N 3.4Å; M135-K139 VanDerWaalsContact O-CB 3.26Å; M135-K139 WeakPolarHBondContact O-CB 3.49Å; M135-K139 PolarHBondContact O-N 2.87Å
136T76.8Confident70.3Confident42 Ų4287.5 Ų87.526%0.25845%0.449SS..Hα-helixtrans-62.5-42175.9-63.20000111.4S132 L133 R140S132-T136 PolarHBondContact O-N 3.26Å; S132-T136 PolarHBondContact O-OG1 2.98Å; L133-T136 PolarHBondContact O-N 3.45Å; T136-R140 PolarHBondContact O-N 2.9Å; T136-R140 VanDerWaalsContact O-N 3.16Å
137V72.1Confident67.9Low57 Ų5790.9 Ų90.935%0.34547%0.474SS..Hα-helixtrans-65.7-49.6174.2167.90000111.2L133 K139 R140 H141L133-V137 WeakPolarHBondContact O-CB 3.21Å; L133-V137 VanDerWaalsContact O-CG2 3.26Å; L133-V137 WeakPolarHBondContact O-CG2 3.49Å; L133-V137 PolarHBondContact O-N 2.88Å; V137-K139 VanDerWaalsContact C-N 3.34Å; V137-K139 PolarHBondContact O-N 3.08Å; V137-R140 PolarHBondContact O-N 3.37Å; V137-H141 WeakPolarHBondContact CG1-NE2 3.3Å; V137-H141 PolarHBondContact O-CD2 3.26Å; V137-H141 PolarHBondContact O-N 3.48Å
138V72.4Confident65.4Low78 Ų7896 Ų9647%0.47350%0.497SS..Hα-helixtrans-58.7-44.2176.4166.40000111.5R134 M135 R140 H141 T142R134-V138 WeakPolarHBondContact O-CB 3.47Å; R134-V138 VanDerWaalsContact O-CG2 3.24Å; R134-V138 WeakPolarHBondContact O-CG2 3.23Å; R134-V138 PolarHBondContact O-N 3.21Å; M135-V138 PolarHBondContact O-N 3.4Å; V138-R140 VanDerWaalsContact C-N 3.35Å; V138-R140 PolarHBondContact O-N 2.82Å; V138-H141 PolarHBondContact O-N 2.77Å; V138-H141 VanDerWaalsContact O-N 3.17Å; V138-T142 PolarHBondContact O-N 2.97Å; V138-T142 PolarHBondContact O-OG1 2.83Å
139K67.9Low62.9Low149 Ų14992.9 Ų92.965%0.64850%0.503SS*.Hα-helixtrans-61.5-41.7-179.7-167.2171.7-177.2179.90111.5M135 V137 T142 S143M135-K139 VanDerWaalsContact O-CB 3.26Å; M135-K139 WeakPolarHBondContact O-CB 3.49Å; M135-K139 PolarHBondContact O-N 2.87Å; V137-K139 VanDerWaalsContact C-N 3.34Å; V137-K139 PolarHBondContact O-N 3.08Å; K139-T142 WeakPolarHBondContact CA-OG1 3.48Å; K139-T142 PolarHBondContact O-N 3.38Å; K139-T142 PolarHBondContact O-OG1 3.45Å; K139-S143 PolarHBondContact O-N 3.4Å; K139-S143 PolarHBondContact O-OG 3.31Å
140R59.1Low60.5Low114 Ų11496.4 Ų96.443%0.4353%0.528SS..Hα-helixtrans-62.9-46.2172.3-72.2-166.2-175.2106.2-5.5112.3T136 V137 V138 T142 S143 T144 G193 L194T136-R140 PolarHBondContact O-N 2.9Å; T136-R140 VanDerWaalsContact O-N 3.16Å; V137-R140 PolarHBondContact O-N 3.37Å; V138-R140 VanDerWaalsContact C-N 3.35Å; V138-R140 PolarHBondContact O-N 2.82Å; R140-T142 VanDerWaalsContact C-N 3.31Å; R140-T142 PolarHBondContact O-N 2.92Å; R140-S143 PolarHBondContact O-N 3.18Å; R140-S143 VanDerWaalsContact O-N 3.1Å; R140-T144 PolarHBondContact O-N 2.85Å; R140-T144 PolarHBondContact O-OG1 3.18Å; R140-T144 VanDerWaalsContact O-OG1 3.14Å; R140-G193 PolarHBondContact NH2-O 2.8Å; R140-L194 VanDerWaalsContact NH1-CD2 3.25Å; R140-L194 VanDerWaalsContact NH1-CG 3.32Å
141H58.5Low58.1Low129 Ų129101.8 Ų101.860%0.59756%0.558SS**Hα-helixtrans-59.1-39.9176.3-70.7-57.4000112.6V137 V138 T144 A145V137-H141 WeakPolarHBondContact CG1-NE2 3.3Å; V137-H141 PolarHBondContact O-CD2 3.26Å; V137-H141 PolarHBondContact O-N 3.48Å; V138-H141 PolarHBondContact O-N 2.77Å; V138-H141 VanDerWaalsContact O-N 3.17Å; H141-T144 PolarHBondContact O-N 3.43Å; H141-A145 WeakPolarHBondContact O-CB 3.43Å; H141-A145 PolarHBondContact O-N 3.02Å; H141-A145 VanDerWaalsContact O-N 3.11Å
142T51.1Low55.8Low76 Ų7699.5 Ų99.547%0.46656%0.561SS.*Hα-helixtrans-66.1-37.417448.40000112.9V138 K139 R140 A145V138-T142 PolarHBondContact O-N 2.97Å; V138-T142 PolarHBondContact O-OG1 2.83Å; K139-T142 WeakPolarHBondContact CA-OG1 3.48Å; K139-T142 PolarHBondContact O-N 3.38Å; K139-T142 PolarHBondContact O-OG1 3.45Å; R140-T142 VanDerWaalsContact C-N 3.31Å; R140-T142 PolarHBondContact O-N 2.92Å; T142-A145 PolarHBondContact O-N 2.64Å
143S51.1Low53.7Low83 Ų83104.1 Ų104.158%0.5858%0.581SS**Hα-helixtrans-68.5-37176.4-66.10000113K139 R140 A145K139-S143 PolarHBondContact O-N 3.4Å; K139-S143 PolarHBondContact O-OG 3.31Å; R140-S143 PolarHBondContact O-N 3.18Å; R140-S143 VanDerWaalsContact O-N 3.1Å; S143-A145 VanDerWaalsContact C-N 3.31Å
144T50.9Low51.4Low105 Ų105110.5 Ų110.564%0.64461%0.613SS**Hα-helixtrans-72.7-23.2174.8-49.90000112.7R140 H141R140-T144 PolarHBondContact O-N 2.85Å; R140-T144 PolarHBondContact O-OG1 3.18Å; R140-T144 VanDerWaalsContact O-OG1 3.14Å; H141-T144 PolarHBondContact O-N 3.43Å
145A43.6Very low49.2Very low72 Ų72112 Ų11260%0.59564%0.636SS**Hα-helixtrans-79.4-15.9-179.500000114.6H141 T142 S143H141-A145 WeakPolarHBondContact O-CB 3.43Å; H141-A145 PolarHBondContact O-N 3.02Å; H141-A145 VanDerWaalsContact O-N 3.11Å; T142-A145 PolarHBondContact O-N 2.64Å; S143-A145 VanDerWaalsContact C-N 3.31Å
146M39Very low47.4Very low173 Ų173110.5 Ų110.585%0.85265%0.65SS**THydrogen-bonded Turntrans-99.36.5-173.6-72.7-163149.200115.5
147S41.1Very low45.4Very low90 Ų90112.3 Ų112.363%0.62968%0.677SS**SBendtrans-97.10179.466.90000115.4
148N35.9Very low43.5Very low138 Ų138115.8 Ų115.874%0.73870%0.699SS**  trans-130.396-177.9-76.6-28.6000110.7
149S30.8Very low41.6Very low114 Ų114120.5 Ų120.580%0.79772%0.718SS**  trans-156.371.9176.5-80.10000113.6
150T36.4Very low40.2Very low126 Ų126118.2 Ų118.277%0.77373%0.727SS**  trans-138.789.6164.9540000110.5
151N36.8Very low38.9Very low162 Ų162120.9 Ų120.987%0.86675%0.749SS**  trans163123.4130.2-81.6-23.7000114.5
152S35.2Very low37.8Very low98 Ų98118.4 Ų118.469%0.68576%0.759SS**  trans68.889.3132.9-165.80000122
153L34.4Very low36.9Very low148 Ų148124 Ų12478%0.77578%0.779SS**  84138.5122.9-96.566.4000123.4
154I35.2Very low36.2Very low151 Ų151127 Ų12777%0.77480%0.795SS**  trans77.3110.6153.3-60.6158.7000118.2
155P33.6Very low35.3Very low131 Ų131128.3 Ų128.385%0.85180%0.802SS**  trans-107.2153.9170.138.6-31.3000114.2
156G33.1Very low34.9Very low84 Ų84130.6 Ų130.687%0.86681%0.813SS**  trans147.9142.4164.400000113.7
157G34.4Very low34.6Very low81 Ų81126.8 Ų126.884%0.83580%0.803SS**  trans142.274.2175.200000116.1
158T33.7Very low34.2Very low130 Ų130129.9 Ų129.980%0.79881%0.808SS**  trans-34.7139.6168.645.80000119.5
159M32.5Very low34.2Very low177 Ų177130.9 Ų130.987%0.87281%0.809SS**  trans59.6113.3131.9-55.3-73-71.300120.8
160A37.5Very low34.3Very low101 Ų101129 Ų12984%0.83579%0.791SS**  trans-167.8151.1136.700000111.1
161D32Very low34.3Very low170 Ų170131.2 Ų131.291%0.90980%0.796SS**  trans-82.2157.3174.8-53.4-83.4000112.5
162G35Very low34.1Very low77 Ų77128.3 Ų128.379%0.79478%0.78SS**  trans-179114173.200000114.2
163E32.3Very low33.9Very low192 Ų192130.1 Ų130.190%0.89778%0.782SS**  trans-79145.5169-58.5173.1120.100110.7
164T36.9Very low33.9Very low147 Ų147129.2 Ų129.290%0.90279%0.788SS**  trans-159.7143.9147.3-9.40000112.1
165V32.4Very low33.8Very low132 Ų132127.8 Ų127.880%0.879%0.791SS**  trans-110.4149.3179.6171.70000109.4
166C34.6Very low34.1Very low121 Ų121126.9 Ų126.982%0.81879%0.785SS**  trans-160.3114.1151-109.10000112.2
167S33.5Very low34.2Very low93 Ų93130.4 Ų130.465%0.6579%0.785SS**  35148.8120-72.50000122.3
168E31.9Very low34Very low155 Ų155137 Ų13772%0.72479%0.786SS**  cis-178.5175.6-10.4-160.5160.414400110.8
169M36.3Very low34Very low158 Ų158136.3 Ų136.378%0.77879%0.786SS**  trans94.3121.1144.3-156.6153.6-76.100120.3
170D31.8Very low34Very low76 Ų76135.7 Ų135.741%0.40678%0.783SS.*  trans-86.9152.4176.6-35.5-112.9000113.5F1705 L1706D170-F1705 HydrophobicContact CB-CE1 4.27Å; D170-L1706 WeakPolarHBondContact OD2-CD2 3.17Å
171I36.9Very low33.9Very low171 Ų171138.9 Ų138.988%0.87779%0.786SS**  trans-139.3132.1144.3-60.9-172.4000111.7
172L32.6Very low33.9Very low102 Ų102135 Ų13553%0.53478%0.778SS.*  trans-51155.3-178.9-68.8158.4000120.2F1705L172-F1705 HydrophobicContact CD1-CE2 4.39Å; L172-F1705 HydrophobicContact CD1-CZ 4.02Å; L172-F1705 HydrophobicContact CD2-CE2 3.84Å; L172-F1705 HydrophobicContact CD2-CZ 3.64Å; L172-F1705 HydrophobicContact CG-CE2 4.39Å; L172-F1705 HydrophobicContact CG-CZ 3.81Å
173N30.7Very low33.9Very low136 Ų136137.5 Ų137.573%0.72778%0.778SS**  trans37121.9136.4-58.8-11.9000121.1
174S35.3Very low34.2Very low129 Ų129134.7 Ų134.790%0.90277%0.774SS**  -174.2165.7106.8-81.80000113
175S31.9Very low33.9Very low120 Ų120131.6 Ų131.684%0.83977%0.772SS**  trans-97179.8-172.2-121.30000113.6
176P41.3Very low34.1Very low112 Ų112131 Ų13173%0.72777%0.773SS**  trans-98.8176.7-13540.6-41.6000115.2
177N35Very low34.1Very low159 Ų159131.7 Ų131.785%0.8577%0.774SS**  trans-153.2161.2152.7-120.2-48.1000115.4
178Y30.2Very low34.1Very low219 Ų219132.9 Ų132.986%0.85978%0.782SS**  trans-71.4147.8-177.2-82.9-118.7000113.5
179S32.9Very low34.3Very low116 Ų116131.2 Ų131.281%0.81179%0.785SS**  -160.3141.5118.6-164.90000111.9
180M33.2Very low34.3Very low164 Ų164129 Ų12981%0.80879%0.785SS**  trans-85.6144.5167.9-72.3-92.1-85.500109.9
181N35.8Very low34.7Very low167 Ų167133.6 Ų133.689%0.89381%0.806SS**  trans-164.9128.9135.5-105.3-19.4000110.6
182A30.9Very low35.2Very low90 Ų90129.8 Ų129.874%0.74480%0.8SS**  trans-97.1153.3169.600000109.8
183T36.4Very low36.1Very low128 Ų128127.3 Ų127.379%0.78580%0.8SS**  trans-171.3128.2148.8-82.40000110.1
184T37.4Very low37.3Very low133 Ų133123.4 Ų123.482%0.81678%0.778SS**  trans35.5116.6164.559.40000120.2
185G31.7Very low38.5Very low83 Ų83118.9 Ų118.986%0.85675%0.752SS**  trans-88.8-174.4177.400000117.4
186S37Very low40.4Very low119 Ų119116.9 Ų116.983%0.83274%0.738SS**  trans-150.2157.2158.260.70000109.6
187T33Very low41.9Very low136 Ų136113.4 Ų113.483%0.83471%0.712SS**  trans-55.2129.3-170.6460000115.9
188S34.1Very low44Very low118 Ų118108.5 Ų108.583%0.82569%0.688SS**  trans-159141.4155.1-79.40000110.8
189P36.2Very low46.5Very low120 Ų120104 Ų10478%0.77967%0.674SS**  trans-86.3141.1-167.832.2-35.4000115.7
190S35.8Very low48.9Very low112 Ų112101.6 Ų101.678%0.78365%0.654SS**  trans49.382.8151.1640000119.7
191M40.4Very low51.4Low171 Ų17194.8 Ų94.884%0.84262%0.622SS**  trans-114.1-14.8155.5-83.7-72.5-75.600114.2G193M191-G193 PolarHBondContact O-N 2.79Å
192A47Very low53.8Low92 Ų9293.6 Ų93.676%0.7661%0.608SS**  trans-71.2-27.3-170.600000115.2L194 G195A192-L194 PolarHBondContact O-N 2.97Å; A192-G195 PolarHBondContact O-N 2.8Å; A192-G195 VanDerWaalsContact O-N 3.17Å
193G52.3Low56.5Low50 Ų5092.2 Ų92.252%0.51560%0.597SS.*THydrogen-bonded Turntrans-7431.8-173.600000116.2R140 M191R140-G193 PolarHBondContact NH2-O 2.8Å; M191-G193 PolarHBondContact O-N 2.79Å
194L55Low59Low54 Ų5487.1 Ų87.128%0.28357%0.565SS.*THydrogen-bonded Turntrans-126-16.9169.5-83.9170.9000112.5R140 A192 V198R140-L194 VanDerWaalsContact NH1-CD2 3.25Å; R140-L194 VanDerWaalsContact NH1-CG 3.32Å; A192-L194 PolarHBondContact O-N 2.97Å; L194-V198 WeakPolarHBondContact O-CG2 3.01Å; L194-V198 PolarHBondContact O-N 3.32Å
195G61.2Low61.5Low33 Ų3385 Ų8534%0.3454%0.544SS..Hα-helixtrans-62.2-54.2-176.800000112.5A192 E197 V198 E199A192-G195 PolarHBondContact O-N 2.8Å; A192-G195 VanDerWaalsContact O-N 3.17Å; G195-E197 PolarHBondContact O-N 2.88Å; G195-V198 CarbonylContact O-C 3.5Å; G195-V198 PolarHBondContact O-N 2.97Å; G195-E199 WeakPolarHBondContact O-CG 3.28Å; G195-E199 PolarHBondContact O-N 2.89Å
196S72.6Confident64.2Low79 Ų7985.1 Ų85.155%0.55253%0.532SS*.Hα-helixtrans-62.4-42.1-175.551.60000113.9V198 E199 V200S196-V198 VanDerWaalsContact C-N 3.29Å; S196-V198 PolarHBondContact O-N 3.24Å; S196-E199 PolarHBondContact O-N 3.21Å; S196-V200 WeakPolarHBondContact O-CG2 3.42Å; S196-V200 PolarHBondContact O-N 3.16Å
197E71.2Confident66.7Low39 Ų3983 Ų8318%0.18251%0.511CS..Hα-helixtrans-66.7-32.7178.2-160.7-174.2-178.700111.3S132 L133 G195 L201S132-E197 VanDerWaalsContact CB-OE1 3.24Å; S132-E197 WeakPolarHBondContact CB-OE1 3.42Å; S132-E197 PolarHBondContact OG-OE1 2.92Å; L133-E197 HydrophobicContact CD1-CG 4.47Å; L133-E197 HydrophobicContact CD2-CB 3.78Å; L133-E197 HydrophobicContact CD2-CG 3.62Å; L133-E197 WeakPolarHBondContact CD2-OE2 3.49Å; L133-E197 HydrophobicContact CG-CB 4.41Å; L133-E197 HydrophobicContact CG-CG 3.75Å; L133-E197 PolarHBondContact N-OE1 3.07Å; G195-E197 PolarHBondContact O-N 2.88Å; E197-L201 PolarHBondContact O-N 3.4Å; E197-L201 VanDerWaalsContact O-N 3.15Å
198V78.9Confident69.5Low56 Ų5678.9 Ų78.934%0.33948%0.481SS..Hα-helixtrans-75.5-35.3173.1171.70000112.2L133 L194 G195 S196 L201 K202L133-V198 HydrophobicContact CD1-CG2 4.38Å; L133-V198 HydrophobicContact CD2-CG2 3.79Å; L194-V198 WeakPolarHBondContact O-CG2 3.01Å; L194-V198 PolarHBondContact O-N 3.32Å; G195-V198 CarbonylContact O-C 3.5Å; G195-V198 PolarHBondContact O-N 2.97Å; S196-V198 VanDerWaalsContact C-N 3.29Å; S196-V198 PolarHBondContact O-N 3.24Å; V198-L201 PolarHBondContact O-N 3Å; V198-K202 WeakPolarHBondContact O-CG 3.45Å; V198-K202 PolarHBondContact O-N 3.5Å
199E83.6Confident72.2Confident124 Ų12477.5 Ų77.558%0.57946%0.462SS*.Hα-helixtrans-67-41.5174.7-76.4163.7-17000111.8G195 S196 L201 K202 A203G195-E199 WeakPolarHBondContact O-CG 3.28Å; G195-E199 PolarHBondContact O-N 2.89Å; S196-E199 PolarHBondContact O-N 3.21Å; E199-L201 VanDerWaalsContact C-N 3.35Å; E199-L201 PolarHBondContact O-N 3.16Å; E199-K202 WeakPolarHBondContact O-CB 3.22Å; E199-K202 PolarHBondContact O-N 3.36Å; E199-A203 WeakPolarHBondContact O-CB 3.49Å; E199-A203 PolarHBondContact O-N 3.09Å
200V82.3Confident74.7Confident65 Ų6576.8 Ų76.839%0.39445%0.448SS..Hα-helixtrans-60-43.9170.2170.70000110.8S196 K202 A203 L204S196-V200 WeakPolarHBondContact O-CG2 3.42Å; S196-V200 PolarHBondContact O-N 3.16Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 2.64Å; V200-A203 PolarHBondContact O-N 3.34Å; V200-L204 HydrophobicContact CG1-CD1 3.86Å; V200-L204 HydrophobicContact CG1-CG 4.3Å; V200-L204 WeakPolarHBondContact O-CB 3.35Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.42Å; V200-L204 PolarHBondContact O-N 2.81Å
201L86.6Confident77.3Confident22 Ų2273.1 Ų73.112%0.11542%0.418CS..Hα-helixtrans-61.9-40175.5-167.280.3000112.3V126 H129 E130 L133 E197 V198 E199 K205V126-L201 HydrophobicContact CG1-CD1 4.48Å; H129-L201 HydrophobicContact CB-CD1 3.73Å; E130-L201 HydrophobicContact CB-CD1 4.02Å; E130-L201 HydrophobicContact CG-CD2 4.27Å; L133-L201 HydrophobicContact CD1-CB 3.89Å; L133-L201 HydrophobicContact CD1-CD1 4.31Å; L133-L201 HydrophobicContact CD1-CD2 3.73Å; L133-L201 HydrophobicContact CD1-CG 4.17Å; E197-L201 PolarHBondContact O-N 3.4Å; E197-L201 VanDerWaalsContact O-N 3.15Å; V198-L201 PolarHBondContact O-N 3Å; E199-L201 VanDerWaalsContact C-N 3.35Å; E199-L201 PolarHBondContact O-N 3.16Å; L201-K205 HydrophobicContact CG-CD 4.39Å; L201-K205 WeakPolarHBondContact O-CB 3.4Å; L201-K205 WeakPolarHBondContact O-CG 3.34Å; L201-K205 PolarHBondContact O-N 3.24Å
202K86.3Confident79.8Confident141 Ų14169.5 Ų69.561%0.61340%0.398SS*.Hα-helixtrans-63.1-45.9175-74.4171.6179.61760111.6V198 E199 V200 K205 S206V198-K202 WeakPolarHBondContact O-CG 3.45Å; V198-K202 PolarHBondContact O-N 3.5Å; E199-K202 WeakPolarHBondContact O-CB 3.22Å; E199-K202 PolarHBondContact O-N 3.36Å; V200-K202 VanDerWaalsContact C-N 3.34Å; V200-K202 PolarHBondContact O-N 2.64Å; K202-K205 PolarHBondContact O-N 3.01Å; K202-S206 WeakPolarHBondContact O-CB 3.31Å; K202-S206 PolarHBondContact O-N 2.64Å
203A87.6Confident81.8Confident61 Ų6168.3 Ų68.350%0.50438%0.381SS..Hα-helixtrans-61.5-46177.600000111.6E199 V200 S206 L207E199-A203 WeakPolarHBondContact O-CB 3.49Å; E199-A203 PolarHBondContact O-N 3.09Å; V200-A203 PolarHBondContact O-N 3.34Å; A203-S206 PolarHBondContact O-N 3.15Å; A203-L207 WeakPolarHBondContact O-CB 3.3Å; A203-L207 PolarHBondContact O-N 3.37Å
204L89.9Confident83.5Confident21 Ų2168.1 Ų68.111%0.1137%0.368CS..Hα-helixtrans-63.2-42.4177-71172.7000112.6L125 V126 H129 V200 L207 F208L125-L204 HydrophobicContact CD2-CD2 3.66Å; L125-L204 HydrophobicContact CG-CD1 4.16Å; L125-L204 HydrophobicContact CG-CD2 4.12Å; V126-L204 HydrophobicContact CG2-CB 3.76Å; H129-L204 HydrophobicContact CB-CD1 4.23Å; H129-L204 VanDerWaalsContact ND1-CD1 3.35Å; H129-L204 WeakPolarHBondContact ND1-CD1 3.17Å; V200-L204 HydrophobicContact CG1-CD1 3.86Å; V200-L204 HydrophobicContact CG1-CG 4.3Å; V200-L204 WeakPolarHBondContact O-CB 3.35Å; V200-L204 VanDerWaalsContact O-CG 3.3Å; V200-L204 WeakPolarHBondContact O-CG 3.42Å; V200-L204 PolarHBondContact O-N 2.81Å; L204-L207 PolarHBondContact O-N 3.16Å; L204-F208 WeakPolarHBondContact O-CB 3.27Å; L204-F208 PolarHBondContact O-N 2.79Å
205K89.2Confident85.3Confident89 Ų8966.5 Ų66.539%0.38736%0.359SS..Hα-helixtrans-66.5-36175.3-72.8-172.9178.9-1670112.2V126 E130 L201 K202 E209V126-K205 HydrophobicContact CG1-CD 4.3Å; V126-K205 VanDerWaalsContact CG1-CE 3.47Å; V126-K205 HydrophobicContact CG1-CG 3.79Å; V126-K205 HydrophobicContact CG2-CG 4.15Å; E130-K205 IonicContact OE2-NZ 2.79Å; E130-K205 PolarHBondContact OE2-NZ 2.62Å; L201-K205 HydrophobicContact CG-CD 4.39Å; L201-K205 WeakPolarHBondContact O-CB 3.4Å; L201-K205 WeakPolarHBondContact O-CG 3.34Å; L201-K205 PolarHBondContact O-N 3.24Å; K202-K205 PolarHBondContact O-N 3.01Å; K205-E209 PolarHBondContact O-N 3.37Å; K205-E209 VanDerWaalsContact O-N 3.09Å
206S88.2Confident86.6Confident85 Ų8569 Ų6959%0.59436%0.363SS*.Hα-helixtrans-68.3-36.7173.6-167.60000112.8K202 A203 H210K202-S206 WeakPolarHBondContact O-CB 3.31Å; K202-S206 PolarHBondContact O-N 2.64Å; A203-S206 PolarHBondContact O-N 3.15Å; S206-H210 WeakPolarHBondContact O-CB 3.35Å; S206-H210 PolarHBondContact O-N 3.02Å
207L89.9Confident87.5Confident74 Ų7471.2 Ų71.239%0.38736%0.362SS..Hα-helixtrans-70.3-42.1177.2-178.161.5000111.5L122 A203 L204 H210 H211L122-L207 HydrophobicContact CD1-CG 4.18Å; L122-L207 HydrophobicContact CD2-CD2 3.78Å; L122-L207 HydrophobicContact CD2-CG 4.14Å; A203-L207 WeakPolarHBondContact O-CB 3.3Å; A203-L207 PolarHBondContact O-N 3.37Å; L204-L207 PolarHBondContact O-N 3.16Å; L207-H210 PolarHBondContact O-N 3.44Å; L207-H211 PolarHBondContact O-CD2 2.79Å; L207-H211 PolarHBondContact O-N 3.08Å
208F91.9Very high88.5Confident51 Ų5169.6 Ų69.622%0.22436%0.355CS..Hα-helixtrans-57.5-49.4172.5178.1-98.9000111.6L119 L122 E123 L204 H210 H211 K212L119-F208 HydrophobicContact CD2-CD2 3.83Å; L119-F208 HydrophobicContact CD2-CE2 3.79Å; L119-F208 HydrophobicContact CD2-CZ 4.46Å; L122-F208 HydrophobicContact CB-CB 4.39Å; L122-F208 HydrophobicContact CB-CD2 3.86Å; E123-F208 HydrophobicContact CB-CE2 3.88Å; L204-F208 WeakPolarHBondContact O-CB 3.27Å; L204-F208 PolarHBondContact O-N 2.79Å; F208-H210 VanDerWaalsContact C-N 3.33Å; F208-H210 PolarHBondContact O-N 3.19Å; F208-H211 PolarHBondContact O-N 3.44Å; F208-K212 HydrophobicContact CE1-CD 4.12Å; F208-K212 WeakPolarHBondContact O-CB 3.48Å; F208-K212 PolarHBondContact O-N 2.56Å
209E89.3Confident89Confident88 Ų8868.1 Ų68.141%0.41134%0.344SS..Hα-helixtrans-66.1-34.6179.2-164.360.4-147.900112.2K205 K212 V213K205-E209 PolarHBondContact O-N 3.37Å; K205-E209 VanDerWaalsContact O-N 3.09Å; E209-K212 PolarHBondContact O-N 2.72Å; E209-K212 IonicContact OE1-NZ 2.78Å; E209-K212 PolarHBondContact OE1-NZ 2.88Å; E209-K212 IonicContact OE2-NZ 3.69Å; E209-K212 PolarHBondContact OE2-NZ 2.98Å; E209-V213 WeakPolarHBondContact O-CG2 3.48Å; E209-V213 PolarHBondContact O-N 3.45Å
210H88.6Confident89.4Confident106 Ų10665.2 Ų65.249%0.49133%0.333SS..Hα-helixtrans-62.6-46.8172.7-178.1-102.3000112.4S206 L207 F208 K212 V213 L214S206-H210 WeakPolarHBondContact O-CB 3.35Å; S206-H210 PolarHBondContact O-N 3.02Å; L207-H210 PolarHBondContact O-N 3.44Å; F208-H210 VanDerWaalsContact C-N 3.33Å; F208-H210 PolarHBondContact O-N 3.19Å; H210-K212 VanDerWaalsContact C-N 3.3Å; H210-K212 PolarHBondContact O-N 2.82Å; H210-V213 PolarHBondContact O-N 3.2Å; H210-L214 WeakPolarHBondContact O-CG 3.37Å; H210-L214 PolarHBondContact O-N 3.26Å
211H91.5Very high89.7Confident35 Ų3567.8 Ų67.816%0.16234%0.335CS..Hα-helixtrans-68.3-28.9176.4-81.8-74.6000113.1M115 L118 L119 L122 L207 F208 L214 D215M115-H211 HydrophobicContact SD-CB 4.05Å; M115-H211 PolarHBondContact SD-ND1 3.02Å; L118-H211 VanDerWaalsContact CD2-CE1 3.42Å; L118-H211 WeakPolarHBondContact CD2-CE1 3.39Å; L118-H211 WeakPolarHBondContact CD2-ND1 3.41Å; L119-H211 HydrophobicContact CD2-CB 3.89Å; L119-H211 HydrophobicContact CG-CB 4.37Å; L122-H211 HydrophobicContact CD1-CB 4.21Å; L207-H211 PolarHBondContact O-CD2 2.79Å; L207-H211 PolarHBondContact O-N 3.08Å; F208-H211 PolarHBondContact O-N 3.44Å; H211-L214 CarbonylContact O-C 3.59Å; H211-L214 WeakPolarHBondContact O-CA 3.14Å; H211-L214 WeakPolarHBondContact O-CB 3.15Å; H211-L214 PolarHBondContact O-N 2.8Å; H211-L214 VanDerWaalsContact O-N 3.13Å; H211-D215 PolarHBondContact O-N 2.77Å
212K91.9Very high90Very high94 Ų9467.3 Ų67.341%0.40933%0.333SS..Hα-helixtrans-68.1-38173.1174162.8156.9-920111.8L119 F208 E209 H210 L214 D215 E216L119-K212 HydrophobicContact CD2-CB 4.09Å; F208-K212 HydrophobicContact CE1-CD 4.12Å; F208-K212 WeakPolarHBondContact O-CB 3.48Å; F208-K212 PolarHBondContact O-N 2.56Å; E209-K212 PolarHBondContact O-N 2.72Å; E209-K212 IonicContact OE1-NZ 2.78Å; E209-K212 PolarHBondContact OE1-NZ 2.88Å; E209-K212 IonicContact OE2-NZ 3.69Å; E209-K212 PolarHBondContact OE2-NZ 2.98Å; H210-K212 VanDerWaalsContact C-N 3.3Å; H210-K212 PolarHBondContact O-N 2.82Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.33Å; K212-D215 PolarHBondContact O-N 3.45Å; K212-E216 PolarHBondContact O-N 3.4Å
213V89.4Confident90.2Very high67 Ų6763.8 Ų63.841%0.40632%0.316SS..Hα-helixtrans-68.2-26169.1171.20000112.3E209 H210 K217E209-V213 WeakPolarHBondContact O-CG2 3.48Å; E209-V213 PolarHBondContact O-N 3.45Å; H210-V213 PolarHBondContact O-N 3.2Å; V213-K217 WeakPolarHBondContact O-CG 3.43Å; V213-K217 PolarHBondContact O-N 2.86Å
214L88.8Confident90.4Very high47 Ų4765.5 Ų65.525%0.24632%0.32CS..Hα-helixtrans-75.9-43.2171.7-68.6173.7000112.6M115 H210 H211 K212 E216 K217 V218M115-L214 HydrophobicContact CE-CB 3.69Å; M115-L214 HydrophobicContact CE-CD1 4.27Å; M115-L214 HydrophobicContact SD-CB 3.96Å; H210-L214 WeakPolarHBondContact O-CG 3.37Å; H210-L214 PolarHBondContact O-N 3.26Å; H211-L214 CarbonylContact O-C 3.59Å; H211-L214 WeakPolarHBondContact O-CA 3.14Å; H211-L214 WeakPolarHBondContact O-CB 3.15Å; H211-L214 PolarHBondContact O-N 2.8Å; H211-L214 VanDerWaalsContact O-N 3.13Å; K212-L214 VanDerWaalsContact C-N 3.28Å; K212-L214 PolarHBondContact O-N 3.33Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.92Å; L214-K217 HydrophobicContact CD2-CD 4.34Å; L214-K217 WeakPolarHBondContact O-CB 3.47Å; L214-K217 PolarHBondContact O-N 2.9Å; L214-K217 VanDerWaalsContact O-N 3.07Å; L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 2.85Å
215D91.7Very high90.4Very high19 Ų1964.9 Ų64.910%0.10232%0.317CS..Hα-helixtrans-57.7-42.4174.1-174.274.1000111.1R112 M115 L119 H211 K212 K217 V218 H219R112-D215 WeakPolarHBondContact CG-OD1 3.44Å; R112-D215 IonicContact CZ-OD1 3.69Å; R112-D215 IonicContact CZ-OD2 3.13Å; R112-D215 IonicContact NE-OD1 3.96Å; R112-D215 PolarHBondContact NE-OD1 3.36Å; R112-D215 IonicContact NE-OD2 2.64Å; R112-D215 PolarHBondContact NE-OD2 3.22Å; R112-D215 IonicContact NH2-OD1 2.69Å; R112-D215 IonicContact NH2-OD2 3.22Å; R112-D215 PolarHBondContact NH2-OD2 2.86Å; M115-D215 HydrophobicContact CB-CB 4.49Å; M115-D215 HydrophobicContact CG-CB 3.71Å; L119-D215 HydrophobicContact CD1-CB 3.89Å; H211-D215 PolarHBondContact O-N 2.77Å; K212-D215 PolarHBondContact O-N 3.45Å; D215-K217 VanDerWaalsContact C-N 3.32Å; D215-K217 PolarHBondContact O-N 3.49Å; D215-V218 PolarHBondContact O-N 2.71Å; D215-H219 VanDerWaalsContact O-CB 3.24Å; D215-H219 WeakPolarHBondContact O-CB 3.48Å; D215-H219 PolarHBondContact O-N 3.4Å
216E89.5Confident90.5Very high87 Ų8764.5 Ų64.541%0.40732%0.317SS..Hα-helixtrans-65.7-33.5176.9-173.855.8-154.500112.2K212 L214 H219 N220 R223K212-E216 PolarHBondContact O-N 3.4Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 2.92Å; E216-H219 IonicContact OE2-CD2 2.67Å; E216-N220 WeakPolarHBondContact O-CB 3.42Å; E216-N220 PolarHBondContact O-N 3.1Å; E216-N220 PolarHBondContact O-ND2 3.21Å; E216-N220 PolarHBondContact OE1-ND2 3.35Å; E216-R223 IonicContact OE1-NH1 3.34Å
217K91.3Very high90.5Very high124 Ų12464.9 Ų64.954%0.53931%0.312SS..Hα-helixtrans-67.8-45.5173-77.2171-179.4176.80112.3V213 L214 D215 H219 N220 R221V213-K217 WeakPolarHBondContact O-CG 3.43Å; V213-K217 PolarHBondContact O-N 2.86Å; L214-K217 HydrophobicContact CD2-CD 4.34Å; L214-K217 WeakPolarHBondContact O-CB 3.47Å; L214-K217 PolarHBondContact O-N 2.9Å; L214-K217 VanDerWaalsContact O-N 3.07Å; D215-K217 VanDerWaalsContact C-N 3.32Å; D215-K217 PolarHBondContact O-N 3.49Å; K217-H219 VanDerWaalsContact C-N 3.33Å; K217-N220 PolarHBondContact O-N 3.42Å; K217-R221 PolarHBondContact O-N 3.4Å
218V92.1Very high90.5Very high6 Ų664.5 Ų64.54%0.03631%0.307CS..Hα-helixtrans-64.6-40.3176.6178.30000110.2L108 E111 R112 L214 D215 N220 R221 L222L108-V218 HydrophobicContact CD2-CG1 4.09Å; E111-V218 HydrophobicContact CB-CG1 4.05Å; E111-V218 VanDerWaalsContact CD-CG2 3.48Å; E111-V218 HydrophobicContact CG-CG1 4.03Å; E111-V218 HydrophobicContact CG-CG2 3.9Å; R112-V218 HydrophobicContact CB-CG1 3.92Å; R112-V218 HydrophobicContact CG-CG1 4.41Å; L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 2.85Å; D215-V218 PolarHBondContact O-N 2.71Å; V218-N220 PolarHBondContact O-N 2.85Å; V218-R221 PolarHBondContact O-N 3.33Å; V218-L222 WeakPolarHBondContact O-CB 3.42Å; V218-L222 PolarHBondContact O-N 3.39Å
219H90.3Very high90.4Very high25 Ų2562.7 Ų62.712%0.11630%0.301CS..Hα-helixtrans-60.8-44.1174.2-173.311.3000112.2R112 D215 E216 K217 L222 R223R112-H219 VanDerWaalsContact CZ-CG 3.49Å; R112-H219 PolarHBondContact NH1-CD2 3.35Å; R112-H219 PolarHBondContact NH1-CE1 3.16Å; R112-H219 PolarHBondContact NH1-ND1 2.77Å; R112-H219 PolarHBondContact NH1-NE2 3.03Å; R112-H219 PolarHBondContact NH2-CD2 3.08Å; D215-H219 VanDerWaalsContact O-CB 3.24Å; D215-H219 WeakPolarHBondContact O-CB 3.48Å; D215-H219 PolarHBondContact O-N 3.4Å; E216-H219 IonicContact OE2-CD2 2.67Å; K217-H219 VanDerWaalsContact C-N 3.33Å; H219-L222 PolarHBondContact O-N 3.23Å; H219-R223 PolarHBondContact CD2-NH2 3.47Å; H219-R223 PolarHBondContact CE1-NH2 2.95Å; H219-R223 PolarHBondContact NE2-NH2 3.3Å; H219-R223 VanDerWaalsContact O-CB 3.28Å; H219-R223 WeakPolarHBondContact O-CB 3.22Å; H219-R223 PolarHBondContact O-N 3.01Å
220N90.4Very high90.3Very high62 Ų6261.5 Ų61.533%0.33230%0.299SS..Hα-helixtrans-68.3-36.8177.5-80.6-68.9000112.5E216 K217 V218 R223 V224E216-N220 WeakPolarHBondContact O-CB 3.42Å; E216-N220 PolarHBondContact O-N 3.1Å; E216-N220 PolarHBondContact O-ND2 3.21Å; E216-N220 PolarHBondContact OE1-ND2 3.35Å; K217-N220 PolarHBondContact O-N 3.42Å; V218-N220 PolarHBondContact O-N 2.85Å; N220-R223 PolarHBondContact O-N 3Å; N220-R223 PolarHBondContact OD1-NH1 3.21Å; N220-V224 VanDerWaalsContact O-CG2 3.32Å; N220-V224 WeakPolarHBondContact O-CG2 3.33Å; N220-V224 PolarHBondContact O-N 2.89Å
221R90.5Very high90.3Very high119 Ų11960.9 Ų60.945%0.44930%0.299SS..Hα-helixtrans-58.5-53.8169.1-76.1-174.565.4-150.4-3.5110.9E104 L108 E111 K217 V218 R223 V224 S225E104-R221 IonicContact OE1-CZ 2.74Å; E104-R221 IonicContact OE1-NE 2.73Å; E104-R221 IonicContact OE1-NH2 3.85Å; E104-R221 PolarHBondContact OE1-NH2 3.27Å; L108-R221 HydrophobicContact CD1-CB 4.02Å; L108-R221 HydrophobicContact CD2-CB 3.73Å; E111-R221 IonicContact OE2-NH1 2.83Å; K217-R221 PolarHBondContact O-N 3.4Å; V218-R221 PolarHBondContact O-N 3.33Å; R221-R223 VanDerWaalsContact C-N 3.28Å; R221-R223 PolarHBondContact O-N 2.76Å; R221-V224 WeakPolarHBondContact O-CA 3.49Å; R221-V224 WeakPolarHBondContact O-CB 3.41Å; R221-V224 PolarHBondContact O-N 2.6Å; R221-S225 PolarHBondContact O-N 2.97Å; R221-S225 PolarHBondContact O-OG 2.95Å
222L91.8Very high90.2Very high13 Ų1359.2 Ų59.27%0.06829%0.292CS..Hα-helixtrans-55.2-43178.7-179.860.1000112.1I105 L108 K109 V218 H219 V224 S225 Q226I105-L222 HydrophobicContact CB-CD1 4.35Å; I105-L222 HydrophobicContact CG1-CD1 4.3Å; I105-L222 HydrophobicContact CG2-CD1 4Å; L108-L222 HydrophobicContact CB-CB 4.16Å; L108-L222 HydrophobicContact CB-CD1 3.91Å; K109-L222 HydrophobicContact CG-CD1 4.27Å; K109-L222 HydrophobicContact CG-CD2 4.44Å; V218-L222 WeakPolarHBondContact O-CB 3.42Å; V218-L222 PolarHBondContact O-N 3.39Å; H219-L222 PolarHBondContact O-N 3.23Å; L222-V224 PolarHBondContact O-N 3.47Å; L222-S225 PolarHBondContact O-N 3.44Å; L222-Q226 HydrophobicContact CD1-CG 4.2Å; L222-Q226 HydrophobicContact CG-CG 4.49Å; L222-Q226 VanDerWaalsContact O-CB 3.23Å; L222-Q226 WeakPolarHBondContact O-CB 3.4Å; L222-Q226 WeakPolarHBondContact O-CG 3.41Å; L222-Q226 PolarHBondContact O-N 3.07Å
223R91.6Very high90Very high67 Ų6759.5 Ų59.525%0.25330%0.295SS..Hα-helixtrans-63.6-38176.4-172.2-173.9-71.7145.1-8.3112.1E216 H219 N220 R221 N227E216-R223 IonicContact OE1-NH1 3.34Å; H219-R223 PolarHBondContact CD2-NH2 3.47Å; H219-R223 PolarHBondContact CE1-NH2 2.95Å; H219-R223 PolarHBondContact NE2-NH2 3.3Å; H219-R223 VanDerWaalsContact O-CB 3.28Å; H219-R223 WeakPolarHBondContact O-CB 3.22Å; H219-R223 PolarHBondContact O-N 3.01Å; N220-R223 PolarHBondContact O-N 3Å; N220-R223 PolarHBondContact OD1-NH1 3.21Å; R221-R223 VanDerWaalsContact C-N 3.28Å; R221-R223 PolarHBondContact O-N 2.76Å; R223-N227 WeakPolarHBondContact O-CB 3.44Å; R223-N227 PolarHBondContact O-N 3.24Å; R223-N227 VanDerWaalsContact O-N 3.09Å; R223-N227 PolarHBondContact O-ND2 3.33Å; R223-N227 PolarHBondContact O-OD1 2.97Å
224V91Very high89.9Confident97 Ų9761.4 Ų61.459%0.58830%0.302SS*.Hα-helixtrans-69.9-46.5176.11680000111.4N220 R221 L222 N227 K228N220-V224 VanDerWaalsContact O-CG2 3.32Å; N220-V224 WeakPolarHBondContact O-CG2 3.33Å; N220-V224 PolarHBondContact O-N 2.89Å; R221-V224 WeakPolarHBondContact O-CA 3.49Å; R221-V224 WeakPolarHBondContact O-CB 3.41Å; R221-V224 PolarHBondContact O-N 2.6Å; L222-V224 PolarHBondContact O-N 3.47Å; V224-N227 PolarHBondContact O-N 3.5Å; V224-K228 PolarHBondContact O-N 2.91Å
225S89.2Confident89.8Confident7 Ų763.7 Ų63.75%0.04931%0.312CS..Hα-helixtrans-67-38.4179.1-50.70000111.5E104 R221 L222 K228 V229E104-S225 WeakPolarHBondContact OE2-CB 3.47Å; E104-S225 PolarHBondContact OE2-OG 3.26Å; R221-S225 PolarHBondContact O-N 2.97Å; R221-S225 PolarHBondContact O-OG 2.95Å; L222-S225 PolarHBondContact O-N 3.44Å; S225-K228 PolarHBondContact O-N 3.05Å; S225-V229 PolarHBondContact O-N 3.46Å
226Q91.2Very high89.5Confident81 Ų8163.6 Ų63.638%0.37931%0.311SS..Hα-helixtrans-58.8-47170.8-78175-31.700112.5I105 L222 K228 V229 T230I105-Q226 HydrophobicContact CD1-CB 4.41Å; I105-Q226 HydrophobicContact CD1-CG 3.86Å; I105-Q226 HydrophobicContact CG1-CG 4.16Å; L222-Q226 HydrophobicContact CD1-CG 4.2Å; L222-Q226 HydrophobicContact CG-CG 4.49Å; L222-Q226 VanDerWaalsContact O-CB 3.23Å; L222-Q226 WeakPolarHBondContact O-CB 3.4Å; L222-Q226 WeakPolarHBondContact O-CG 3.41Å; L222-Q226 PolarHBondContact O-N 3.07Å; Q226-K228 VanDerWaalsContact C-N 3.32Å; Q226-K228 PolarHBondContact O-N 3.15Å; Q226-V229 PolarHBondContact O-N 3.43Å; Q226-T230 PolarHBondContact O-N 2.83Å
227N89.2Confident89.2Confident94 Ų9465.8 Ų65.850%0.50332%0.32SS..Hα-helixtrans-60.4-43.1175-71.1-10.2000111.1R223 V224 V229 T230 D231R223-N227 WeakPolarHBondContact O-CB 3.44Å; R223-N227 PolarHBondContact O-N 3.24Å; R223-N227 VanDerWaalsContact O-N 3.09Å; R223-N227 PolarHBondContact O-ND2 3.33Å; R223-N227 PolarHBondContact O-OD1 2.97Å; V224-N227 PolarHBondContact O-N 3.5Å; N227-V229 VanDerWaalsContact C-N 3.33Å; N227-V229 PolarHBondContact O-N 2.82Å; N227-T230 WeakPolarHBondContact CA-OG1 3.08Å; N227-T230 PolarHBondContact O-N 3.44Å; N227-T230 VanDerWaalsContact O-N 3.12Å; N227-T230 PolarHBondContact O-OG1 2.9Å; N227-D231 PolarHBondContact O-N 3.41Å
228K89.6Confident88.8Confident65 Ų6564.3 Ų64.328%0.28332%0.315SS..Hα-helixtrans-67.7-30.5178.8-177.754.6-170152.90113V224 S225 Q226 D231 L232V224-K228 PolarHBondContact O-N 2.91Å; S225-K228 PolarHBondContact O-N 3.05Å; Q226-K228 VanDerWaalsContact C-N 3.32Å; Q226-K228 PolarHBondContact O-N 3.15Å; K228-D231 HydrophobicContact CD-CB 4.26Å; K228-D231 PolarHBondContact O-N 3.35Å; K228-L232 HydrophobicContact CD-CD1 4.45Å; K228-L232 HydrophobicContact CD-CG 4.33Å; K228-L232 HydrophobicContact CG-CD1 4.25Å; K228-L232 WeakPolarHBondContact O-CB 3.49Å; K228-L232 VanDerWaalsContact O-CG 3.28Å; K228-L232 WeakPolarHBondContact O-CG 3.24Å; K228-L232 PolarHBondContact O-N 2.81Å
229V89.2Confident88.4Confident14 Ų1465.1 Ų65.19%0.08532%0.319CS..Hα-helixtrans-62-49.9167.2160.40000110.2L98 R101 I105 S225 Q226 N227 D231 L232 E233L98-V229 HydrophobicContact CD1-CB 4.45Å; L98-V229 HydrophobicContact CD1-CG1 3.94Å; L98-V229 HydrophobicContact CD1-CG2 4.38Å; R101-V229 HydrophobicContact CB-CG2 3.55Å; I105-V229 HydrophobicContact CD1-CB 4.02Å; I105-V229 HydrophobicContact CD1-CG2 3.48Å; I105-V229 VanDerWaalsContact CD1-CG2 3.48Å; S225-V229 PolarHBondContact O-N 3.46Å; Q226-V229 PolarHBondContact O-N 3.43Å; N227-V229 VanDerWaalsContact C-N 3.33Å; N227-V229 PolarHBondContact O-N 2.82Å; V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.16Å; V229-L232 CarbonylContact O-C 3.17Å; V229-L232 PolarHBondContact O-N 3.46Å; V229-E233 HydrophobicContact CG1-CG 4.22Å; V229-E233 WeakPolarHBondContact O-CG 3.3Å; V229-E233 PolarHBondContact O-N 3.01Å
230T88.1Confident88Confident62 Ų6268 Ų6838%0.3833%0.331SS..Hα-helixtrans-62.6-32178570000113.2Q226 N227 N234Q226-T230 PolarHBondContact O-N 2.83Å; N227-T230 WeakPolarHBondContact CA-OG1 3.08Å; N227-T230 PolarHBondContact O-N 3.44Å; N227-T230 VanDerWaalsContact O-N 3.12Å; N227-T230 PolarHBondContact O-OG1 2.9Å; T230-N234 PolarHBondContact O-N 2.92Å; T230-N234 PolarHBondContact O-ND2 3.23Å
231D88.8Confident87.5Confident93 Ų9369.6 Ų69.650%0.49733%0.332SS..Hα-helixtrans-63.9-45.2171-68.6-29.5000111.5N227 K228 V229 N234 E235N227-D231 PolarHBondContact O-N 3.41Å; K228-D231 HydrophobicContact CD-CB 4.26Å; K228-D231 PolarHBondContact O-N 3.35Å; V229-D231 VanDerWaalsContact C-N 3.27Å; V229-D231 PolarHBondContact O-N 3.16Å; D231-N234 PolarHBondContact O-N 3.05Å; D231-E235 PolarHBondContact O-N 3.1Å
232L89.3Confident86.8Confident0 Ų066 Ų660%033%0.325CS..Hα-helixtrans-68.5-35.8179-71.8165.8000112.4V94 Q97 L98 R101 K228 V229 N234 E235 L236V94-L232 HydrophobicContact CG1-CB 4.5Å; V94-L232 HydrophobicContact CG1-CD2 4.13Å; Q97-L232 HydrophobicContact CB-CD1 4.04Å; Q97-L232 HydrophobicContact CB-CD2 4.08Å; L98-L232 HydrophobicContact CD1-CB 3.88Å; R101-L232 HydrophobicContact CG-CD1 4.08Å; K228-L232 HydrophobicContact CD-CD1 4.45Å; K228-L232 HydrophobicContact CD-CG 4.33Å; K228-L232 HydrophobicContact CG-CD1 4.25Å; K228-L232 WeakPolarHBondContact O-CB 3.49Å; K228-L232 VanDerWaalsContact O-CG 3.28Å; K228-L232 WeakPolarHBondContact O-CG 3.24Å; K228-L232 PolarHBondContact O-N 2.81Å; V229-L232 CarbonylContact O-C 3.17Å; V229-L232 PolarHBondContact O-N 3.46Å; L232-N234 VanDerWaalsContact C-N 3.35Å; L232-E235 PolarHBondContact O-N 3.38Å; L232-L236 WeakPolarHBondContact O-CB 3.21Å; L232-L236 PolarHBondContact O-N 3.04Å
233E87.1Confident85.8Confident101 Ų10168.6 Ų68.647%0.47234%0.336SS..Hα-helixtrans-62.6-41.3173.1-70.8179.8130.500111.6L98 V229 L236 F237L98-E233 HydrophobicContact CD1-CG 3.84Å; V229-E233 HydrophobicContact CG1-CG 4.22Å; V229-E233 WeakPolarHBondContact O-CG 3.3Å; V229-E233 PolarHBondContact O-N 3.01Å; E233-L236 PolarHBondContact O-N 3.32Å; E233-F237 WeakPolarHBondContact O-CB 3.28Å; E233-F237 PolarHBondContact O-N 3.1Å
234N86.7Confident84.7Confident106 Ų10670.2 Ų70.257%0.56735%0.349SS*.Hα-helixtrans-67.8-42.1175.5-77.1-62.2000112.1T230 D231 L232 F237 E238T230-N234 PolarHBondContact O-N 2.92Å; T230-N234 PolarHBondContact O-ND2 3.23Å; D231-N234 PolarHBondContact O-N 3.05Å; L232-N234 VanDerWaalsContact C-N 3.35Å; N234-F237 PolarHBondContact O-N 2.91Å; N234-E238 PolarHBondContact O-N 3.34Å; N234-E238 VanDerWaalsContact O-N 3.12Å
235E86.9Confident83.2Confident96 Ų9670.2 Ų70.245%0.44935%0.345SS..Hα-helixtrans-62.3-43.4174.5-172168.4-168.700111.2V94 D231 L232 F237 E238 L239V94-E235 HydrophobicContact CG1-CB 4.41Å; V94-E235 HydrophobicContact CG1-CG 4.47Å; V94-E235 HydrophobicContact CG2-CG 4.11Å; D231-E235 PolarHBondContact O-N 3.1Å; L232-E235 PolarHBondContact O-N 3.38Å; E235-F237 VanDerWaalsContact C-N 3.33Å; E235-F237 PolarHBondContact O-N 3.12Å; E235-E238 PolarHBondContact O-N 2.69Å; E235-L239 HydrophobicContact CG-CD1 4.31Å; E235-L239 WeakPolarHBondContact O-CB 3.47Å; E235-L239 VanDerWaalsContact O-CG 3.31Å; E235-L239 WeakPolarHBondContact O-CG 3.23Å; E235-L239 PolarHBondContact O-N 3.44Å
236L85.1Confident81.6Confident17 Ų1772 Ų729%0.08936%0.358CS..Hα-helixtrans-61.7-39.6175.2-174.357.5000112.3L91 V94 E95 L98 L232 E233 L239 K240L91-L236 HydrophobicContact CD1-CD1 3.58Å; L91-L236 HydrophobicContact CG-CD1 4.26Å; V94-L236 HydrophobicContact CG1-CB 3.88Å; V94-L236 HydrophobicContact CG1-CD1 4.32Å; E95-L236 HydrophobicContact CG-CD1 3.48Å; E95-L236 VanDerWaalsContact CG-CD1 3.48Å; E95-L236 HydrophobicContact CG-CD2 3.93Å; E95-L236 HydrophobicContact CG-CG 4.37Å; L98-L236 HydrophobicContact CD2-CD2 3.91Å; L232-L236 WeakPolarHBondContact O-CB 3.21Å; L232-L236 PolarHBondContact O-N 3.04Å; E233-L236 PolarHBondContact O-N 3.32Å; L236-L239 PolarHBondContact O-N 2.84Å; L236-K240 HydrophobicContact CD1-CD 4.3Å; L236-K240 HydrophobicContact CG-CD 4.22Å; L236-K240 WeakPolarHBondContact O-CB 3.33Å; L236-K240 VanDerWaalsContact O-CG 3.32Å; L236-K240 WeakPolarHBondContact O-CG 3.21Å; L236-K240 PolarHBondContact O-N 3.31Å
237F83.1Confident79.4Confident132 Ų13272.2 Ų72.258%0.57937%0.368SS*.Hα-helixtrans-63.7-47.4177.2-176.8-96.6000111.9E233 N234 E235 K240 R241E233-F237 WeakPolarHBondContact O-CB 3.28Å; E233-F237 PolarHBondContact O-N 3.1Å; N234-F237 PolarHBondContact O-N 2.91Å; E235-F237 VanDerWaalsContact C-N 3.33Å; E235-F237 PolarHBondContact O-N 3.12Å; F237-K240 PolarHBondContact O-N 3.24Å; F237-R241 WeakPolarHBondContact O-CB 3.49Å; F237-R241 PolarHBondContact O-N 3.46Å
238E83.6Confident77.2Confident94 Ų9470.2 Ų70.244%0.43936%0.362SS..Hα-helixtrans-69.9-32.4177.6-76.1-63.4157.200112.7N234 E235 R241 S242N234-E238 PolarHBondContact O-N 3.34Å; N234-E238 VanDerWaalsContact O-N 3.12Å; E235-E238 PolarHBondContact O-N 2.69Å; E238-R241 PolarHBondContact O-N 2.78Å; E238-R241 IonicContact OE1-NH1 3.6Å; E238-R241 PolarHBondContact OE1-NH1 2.8Å; E238-R241 WeakPolarHBondContact OE2-CD 3.24Å; E238-R241 IonicContact OE2-NH1 3.45Å; E238-S242 WeakPolarHBondContact O-CB 3.43Å; E238-S242 PolarHBondContact O-N 3.32Å; E238-S242 PolarHBondContact O-OG 2.81Å
239L83.4Confident74.9Confident22 Ų2271.5 Ų71.512%0.11538%0.375CS..Hα-helixtrans-64.2-40.7169.7-72.4174.3000112.2M87 K90 L91 V94 E235 L236 S242 K243M87-L239 HydrophobicContact CE-CD2 3.58Å; M87-L239 HydrophobicContact SD-CD2 4.49Å; K90-L239 HydrophobicContact CB-CD1 4.29Å; K90-L239 HydrophobicContact CB-CD2 4.22Å; L91-L239 HydrophobicContact CD1-CB 3.84Å; V94-L239 HydrophobicContact CB-CD1 4.13Å; V94-L239 HydrophobicContact CG2-CD1 3.72Å; E235-L239 HydrophobicContact CG-CD1 4.31Å; E235-L239 WeakPolarHBondContact O-CB 3.47Å; E235-L239 VanDerWaalsContact O-CG 3.31Å; E235-L239 WeakPolarHBondContact O-CG 3.23Å; E235-L239 PolarHBondContact O-N 3.44Å; L236-L239 PolarHBondContact O-N 2.84Å; L239-S242 WeakPolarHBondContact CA-OG 3.32Å; L239-S242 PolarHBondContact O-OG 2.96Å; L239-S242 VanDerWaalsContact O-OG 3.12Å; L239-K243 WeakPolarHBondContact O-CB 3.31Å; L239-K243 PolarHBondContact O-N 3.48Å; L239-K243 VanDerWaalsContact O-N 3.1Å
240K83.5Confident72.4Confident85 Ų8574.9 Ų74.937%0.3741%0.405SS..Hα-helixtrans-67.7-42.4174.8-72.4177.3178.2169.90111.6L91 E95 L236 F237 K243 I244L91-K240 HydrophobicContact CD1-CD 4.41Å; L91-K240 HydrophobicContact CD1-CG 3.59Å; E95-K240 WeakPolarHBondContact OE1-CE 3.4Å; E95-K240 IonicContact OE1-NZ 2.76Å; E95-K240 PolarHBondContact OE1-NZ 2.89Å; L236-K240 HydrophobicContact CD1-CD 4.3Å; L236-K240 HydrophobicContact CG-CD 4.22Å; L236-K240 WeakPolarHBondContact O-CB 3.33Å; L236-K240 VanDerWaalsContact O-CG 3.32Å; L236-K240 WeakPolarHBondContact O-CG 3.21Å; L236-K240 PolarHBondContact O-N 3.31Å; F237-K240 PolarHBondContact O-N 3.24Å; K240-K243 PolarHBondContact O-N 2.86Å; K240-I244 WeakPolarHBondContact O-CG1 3.33Å; K240-I244 PolarHBondContact O-N 2.86Å; K240-I244 VanDerWaalsContact O-N 3.1Å
241R79.1Confident69.8Low97 Ų9779.5 Ų79.537%0.36643%0.427SS..Hα-helixtrans-61.9-45.1177-167.9-175.7-172.1-1655.6112.5F237 E238 I244 N245 E266F237-R241 WeakPolarHBondContact O-CB 3.49Å; F237-R241 PolarHBondContact O-N 3.46Å; E238-R241 PolarHBondContact O-N 2.78Å; E238-R241 IonicContact OE1-NH1 3.6Å; E238-R241 PolarHBondContact OE1-NH1 2.8Å; E238-R241 WeakPolarHBondContact OE2-CD 3.24Å; E238-R241 IonicContact OE2-NH1 3.45Å; R241-I244 PolarHBondContact O-N 3.43Å; R241-N245 PolarHBondContact O-N 2.82Å; R241-N245 PolarHBondContact O-ND2 2.87Å; R241-E266 IonicContact NH2-OE1 2.82Å
242S75.7Confident67.1Low42 Ų4281.5 Ų81.529%0.29444%0.436SS..Hα-helixtrans-69.9-31.6178.551.80000113.3M87 E238 L239 N245 S246M87-S242 WeakPolarHBondContact CE-OG 3.37Å; E238-S242 WeakPolarHBondContact O-CB 3.43Å; E238-S242 PolarHBondContact O-N 3.32Å; E238-S242 PolarHBondContact O-OG 2.81Å; L239-S242 WeakPolarHBondContact CA-OG 3.32Å; L239-S242 PolarHBondContact O-OG 2.96Å; L239-S242 VanDerWaalsContact O-OG 3.12Å; S242-N245 PolarHBondContact O-N 3.12Å; S242-S246 PolarHBondContact O-N 3Å; S242-S246 PolarHBondContact O-OG 3.41Å
243K71.5Confident64.2Low69 Ų6986.9 Ų86.930%0.347%0.472SS..Hα-helixtrans-64.5-40.6169.6-173.6165.9174.7170.60112.5S88 L91 L239 K240 S246 S247S88-K243 PolarHBondContact OG-NZ 3.24Å; L91-K243 HydrophobicContact CD2-CD 4.38Å; L239-K243 WeakPolarHBondContact O-CB 3.31Å; L239-K243 PolarHBondContact O-N 3.48Å; L239-K243 VanDerWaalsContact O-N 3.1Å; K240-K243 PolarHBondContact O-N 2.86Å; K243-S246 WeakPolarHBondContact CA-OG 3.41Å; K243-S246 PolarHBondContact O-OG 3.43Å; K243-S247 PolarHBondContact O-N 3.12Å; K243-S247 VanDerWaalsContact O-N 3.15Å; K243-S247 PolarHBondContact O-OG 3.35Å
244I68.4Low61.6Low101 Ų10188.9 Ų88.952%0.51849%0.486SS..Hα-helixtrans-62.6-47.4173.4-67.3164.5000110.8K240 R241 S246 S247 S248K240-I244 WeakPolarHBondContact O-CG1 3.33Å; K240-I244 PolarHBondContact O-N 2.86Å; K240-I244 VanDerWaalsContact O-N 3.1Å; R241-I244 PolarHBondContact O-N 3.43Å; I244-S246 PolarHBondContact O-N 3.44Å; I244-S247 PolarHBondContact O-N 2.88Å; I244-S247 PolarHBondContact O-OG 2.84Å; I244-S248 WeakPolarHBondContact O-CB 3.47Å; I244-S248 PolarHBondContact O-N 3.44Å; I244-S248 PolarHBondContact O-OG 2.84Å
245N58.8Low59Low97 Ų9790.7 Ų90.752%0.51950%0.496SS..Hα-helixtrans-62.6-41.1-178.9-71.6-21.4000113.2R241 S242 S248R241-N245 PolarHBondContact O-N 2.82Å; R241-N245 PolarHBondContact O-ND2 2.87Å; S242-N245 PolarHBondContact O-N 3.12Å; N245-S248 WeakPolarHBondContact O-CB 3.3Å; N245-S248 PolarHBondContact O-N 3.3Å
246S55.2Low56.5Low45 Ų4593 Ų9332%0.31551%0.511SS..Hα-helixtrans-72.1-32.6178.746.30000113.5S242 K243 I244 S248 T249S242-S246 PolarHBondContact O-N 3Å; S242-S246 PolarHBondContact O-OG 3.41Å; K243-S246 WeakPolarHBondContact CA-OG 3.41Å; K243-S246 PolarHBondContact O-OG 3.43Å; I244-S246 PolarHBondContact O-N 3.44Å; S246-S248 PolarHBondContact O-N 3.05Å; S246-T249 PolarHBondContact O-OG1 3.15Å
247S45.5Very low53.9Low84 Ų8499.4 Ų99.459%0.58755%0.546SS*.Hα-helixtrans-68.1-20.6169.468.60000113.5K243 I244K243-S247 PolarHBondContact O-N 3.12Å; K243-S247 VanDerWaalsContact O-N 3.15Å; K243-S247 PolarHBondContact O-OG 3.35Å; I244-S247 PolarHBondContact O-N 2.88Å; I244-S247 PolarHBondContact O-OG 2.84Å
248S42.5Very low51.7Low53 Ų5399.7 Ų99.737%0.37155%0.552SS.*THydrogen-bonded Turntrans-90.40.9-175.1-60.90000115.2I244 N245 S246I244-S248 WeakPolarHBondContact O-CB 3.47Å; I244-S248 PolarHBondContact O-N 3.44Å; I244-S248 PolarHBondContact O-OG 2.84Å; N245-S248 WeakPolarHBondContact O-CB 3.3Å; N245-S248 PolarHBondContact O-N 3.3Å; S246-S248 PolarHBondContact O-N 3.05Å
249T41Very low49.2Very low91 Ų91104 Ų10456%0.55857%0.572SS**SBendtrans-113-9.6-175.447.60000114.9S246S246-T249 PolarHBondContact O-OG1 3.15Å
250A37.8Very low46.6Very low86 Ų86112.9 Ų112.971%0.71160%0.604SS**SBendtrans-76.1-18.9179.900000114.5
251N34Very low44.1Very low159 Ų159114.7 Ų114.785%0.8562%0.622SS**  trans-115.788.1179-77.3-26.5000110.7
252I30.9Very low41.9Very low134 Ų134118.9 Ų118.969%0.68765%0.648SS**  trans-132.286.7172.5-54.3179.5000109.8
253C28.6Very low39.7Very low113 Ų113124.1 Ų124.176%0.76467%0.671SS**  trans-163.9138.3147.4-139.70000111.9
254N31.7Very low37.7Very low143 Ų143125.4 Ų125.477%0.76569%0.689SS**SBendtrans69152.4173.6-60.70.7000118.4
255D34Very low35.9Very low145 Ų145126 Ų12678%0.77570%0.702SS**  trans59.560168.6-57.4-15.2000118.9
256N32.4Very low34.4Very low144 Ų144128.6 Ų128.677%0.7771%0.711SS**  24.5128.1122.1-61.7-49.3000119.4
257N32Very low33.1Very low152 Ų152133.2 Ų133.281%0.81374%0.738SS**SBendtrans59.7102.7159-65.9-18.5000117.6
258I35.8Very low32.2Very low138 Ų138137.6 Ų137.671%0.70875%0.749SS**SBend175.4-30.2122-90.1155.4000111.5
259H31.1Very low31.5Very low185 Ų185140.6 Ų140.686%0.85677%0.765SS**SBendtrans-108.666-166.8-68.5-72.1000115.7
260R28.6Very low31Very low207 Ų207142.2 Ų142.278%0.78177%0.77SS**SBendtrans-147.133.8172.9-145.2178.8-164.7156.311.4116
261T32.7Very low30.6Very low124 Ų124145.7 Ų145.776%0.76177%0.769SS**  trans-140.329-164.418.70000114.9
262M31Very low30.3Very low185 Ų185144.7 Ų144.791%0.91176%0.764SS**SBendtrans-130.5-1.5-177.4-74.2-66.9-113.500115.9
263I31.4Very low30.2Very low152 Ų152146.9 Ų146.978%0.77977%0.768SS**SBendtrans-139.1135.9175.9-54.3179.6000107.9
264S28.8Very low30.2Very low95 Ų95148.1 Ų148.166%0.66477%0.766SS**  trans67.473.3-178-61.20000116.8
265S29.4Very low30Very low115 Ų115149.3 Ų149.380%0.80477%0.765SS**  trans-148.774.9150.360.70000108
266E28.2Very low29.8Very low150 Ų150148.9 Ų148.970%0.70176%0.762SS**  64.2109.685.5-66.3-170154.600113.5R241 Q268R241-E266 IonicContact NH2-OE1 2.82Å; E266-Q268 PolarHBondContact O-N 2.95Å
267T27.2Very low29.6Very low142 Ų142147.8 Ų147.887%0.87176%0.76SS**SBendtrans-75.894.8164.646.50000110.3
268Q27.8Very low29.5Very low176 Ų176146 Ų14682%0.82275%0.751SS**  trans-171.7151.7153-112.6178.441.800114.1E266E266-Q268 PolarHBondContact O-N 2.95Å
269V28Very low29.4Very low117 Ų117143.6 Ų143.671%0.70974%0.743SS**  trans63.4127.8145.5167.30000118.6
270D29.4Very low29.5Very low125 Ų125137.8 Ų137.867%0.66872%0.718SS**  cis-162.8-172.5-23.8-141.6-49.8000109
271K29.6Very low29.7Very low159 Ų159135 Ų13569%0.69172%0.717SS**  trans-70.2135159.6-47.7125.9-174.3159.50109
272D28.7Very low29.6Very low138 Ų138137.5 Ų137.574%0.73872%0.717SS**  178.2143.4118.2-101.1-9.9000114.2
273F27.6Very low29.8Very low179 Ų179136.1 Ų136.179%0.78571%0.714SS**  trans59.3131.1167.4-74.6-117.7000117.7
274I28.4Very low29.8Very low139 Ų139135.9 Ų135.971%0.71371%0.714SS**  cis70.982.519.3-49.5177.4000114.8
275K27.9Very low30Very low169 Ų169136.1 Ų136.174%0.73571%0.713SS**  155.6138.9126.1-94.8169.1177.8-176.60116.4
276D29.7Very low30Very low135 Ų135137.7 Ų137.772%0.72271%0.713SS**  trans59.8146.9140.2-47.5-19.8000119.9
277V29.2Very low30.3Very low121 Ų121139.1 Ų139.173%0.73372%0.719SS**  cis-164.5162.2-12123.60000110.4
278D29.2Very low30.4Very low116 Ų116138.8 Ų138.862%0.6271%0.711SS**  trans-50.8162.2177.6-36-12.1000118.4
279T33.4Very low30.3Very low87 Ų87138.8 Ų138.853%0.53471%0.711SS.*  158.9126.6127400000115.9S1645 E1646T279-S1645 CarbonylContact O-C 3.6Å; T279-S1645 WeakPolarHBondContact O-CA 3.33Å; T279-S1645 WeakPolarHBondContact O-CB 3.45Å; T279-S1645 PolarHBondContact O-OG 3.03Å; T279-E1646 VanDerWaalsContact C-C 3.48Å; T279-E1646 CarbonylContact C-O 3.49Å; T279-E1646 VanDerWaalsContact C-O 3.27Å; T279-E1646 WeakPolarHBondContact CA-O 3.47Å; T279-E1646 PolarHBondContact N-O 3.18Å; T279-E1646 PolarHBondContact O-N 3.46Å; T279-E1646 VanDerWaalsContact O-N 3.08Å
280D32.7Very low30.4Very low62 Ų62142 Ų14233%0.33272%0.715SS.*  trans-48.8166.1-167.5-128.9-51.7000121.8E1646 S1647 S1648D280-E1646 VanDerWaalsContact N-C 3.35Å; D280-E1646 PolarHBondContact N-O 3.4Å; D280-S1647 WeakPolarHBondContact CB-OG 3.24Å; D280-S1647 WeakPolarHBondContact OD2-CB 3.35Å; D280-S1647 VanDerWaalsContact OD2-O 3.09Å; D280-S1647 PolarHBondContact OD2-OG 3.36Å; D280-S1648 PolarHBondContact OD2-N 2.99Å
281I33.9Very low30.4Very low148 Ų148143.5 Ų143.576%0.75972%0.722SS**  177.3137.6117.8-90.3158.1000114
282K30.7Very low30.3Very low177 Ų177140 Ų14077%0.7772%0.718SS**  trans-83.7159.5171.7-56.4167.4-177.6170.60112.7
283N33.9Very low30.2Very low156 Ų156140.9 Ų140.983%0.83472%0.722SS**  trans-168.5138135.5-102.8-36.9000117
284N31.9Very low30.3Very low147 Ų147140 Ų14079%0.78672%0.718SS**  trans49.6128.6155-110.520.8000123.8
285P34.4Very low30.3Very low100 Ų100139.7 Ų139.765%0.64971%0.713SS**  trans-91.8-169.416140.2-35.1000112.8
286D29.5Very low30.3Very low149 Ų149137.4 Ų137.480%0.79771%0.713SS**  trans61.3101.1167.6-66.4-18.7000119
287Q32.6Very low30.2Very low179 Ų179135.6 Ų135.684%0.83672%0.718SS**  trans-161.5125.5139.2-113.5167.894.300114.3
288I30.3Very low30.3Very low135 Ų135135.7 Ų135.769%0.69272%0.723SS**  trans5896.7139.9-63.5170000116.4
289Q25.8Very low30.2Very low177 Ų177137.2 Ų137.283%0.82773%0.731SS**  43108.487.2-68.6-170.9-500116.5
290K29.9Very low30.4Very low184 Ų184138.7 Ų138.780%0.874%0.742SS**  -179.5142.8121.9-108172.2-178.4174.80115.4
291L29.7Very low30.2Very low156 Ų156144.5 Ų144.582%0.81776%0.764SS**  trans67.4152.5153.8-59162.5000118.5
292S27.5Very low30Very low85 Ų85141.2 Ų141.259%0.59477%0.767SS**  cis173.4119.4-44158.60000110.9
293L26.2Very low29.9Very low157 Ų157137.8 Ų137.882%0.82277%0.765SS**  trans68.8155153-68.2169.7000120.9
294K29.2Very low29.7Very low160 Ų160137.4 Ų137.470%0.69677%0.768SS**  trans72.7143.2164.3-69167.5155.1-810117
295E28.7Very low29.4Very low134 Ų134138.3 Ų138.363%0.62677%0.768SS**  cis-151.5124-6.2-124.1153.3168.500114
296T27.9Very low29.2Very low120 Ų120141.7 Ų141.774%0.73678%0.778SS**  trans50.2119130.262.40000125
297A28.9Very low29.1Very low98 Ų98139 Ų13981%0.8177%0.771SS**  67.1126.6121.300000123.4
298S29.3Very low29Very low122 Ų122139.9 Ų139.985%0.85377%0.772SS**  -165136.311245.10000113.6
299L29Very low29.1Very low148 Ų148138.8 Ų138.878%0.77578%0.777SS**  trans-117.3162167.1-109.8101.2000107K301L299-K301 HydrophobicContact CD2-CG 4.07Å
300P36.5Very low29.3Very low119 Ų119136.2 Ų136.277%0.77378%0.778SS**  -141.3152.971.419.36.5000114.8
301K28.6Very low29.3Very low184 Ų184136.2 Ų136.280%0.878%0.781SS**  59.7123.976.8-61.3-166.4177.1-171.10117L299L299-K301 HydrophobicContact CD2-CG 4.07Å
302G29.1Very low29.4Very low79 Ų79136.2 Ų136.281%0.81478%0.781SS**  trans-153.4127.6151.700000107.5
303S29.6Very low29.5Very low105 Ų105139.5 Ų139.573%0.73479%0.791SS**  trans-162.6139.2-165.552.50000112
304V29.9Very low29.5Very low148 Ų148138 Ų13890%0.89779%0.794SS**  trans-134.9136.4170.8-179.10000109
305E25.6Very low29.6Very low165 Ų165135.3 Ų135.377%0.77180%0.795SS**  trans-111.7154.9-179.1-56.2168.6117.700110.3
306I29.2Very low29.6Very low171 Ų171134.4 Ų134.488%0.87780%0.804SS**  trans-135.8129146-61.9-174.8000108.3
307S28.1Very low30.1Very low92 Ų92134.1 Ų134.164%0.64380%0.804SS**  trans-117148.6178.8-45.50000112
308K30.8Very low30.2Very low198 Ų198135.3 Ų135.386%0.86180%0.801SS**  trans-176.2134.7160.4-100.4148.5-174.61760107.4
309S32.2Very low30.3Very low113 Ų113137 Ų13779%0.7980%0.8SS**  cis-146.11510.1-59.40000109.7
310S29.6Very low30.4Very low122 Ų122137.8 Ų137.885%0.85380%0.804SS**  trans-139.3107.7170.361.90000111.2
311E30.8Very low30.1Very low185 Ų185136.1 Ų136.186%0.86480%0.801SS**  trans-128.6118.2165.6-69.4-170.2150.100108.6
312L31.1Very low30.4Very low155 Ų155131.9 Ų131.981%0.81279%0.794SS**  173115.4123.6-89.4166.2000111.2
313L29.2Very low30.8Very low155 Ų155136.5 Ų136.581%0.81280%0.799SS**  trans67.886.6148-52.8178.7000119.5
314S25.8Very low31.3Very low125 Ų125136.7 Ų136.787%0.87480%0.801SS**  trans-95.5109.7155.357.80000112.1
315S32Very low31.7Very low104 Ų104136.6 Ų136.673%0.72780%0.795SS**  trans-178.1146.9166.257.30000109.3
316S29.2Very low32.2Very low114 Ų114136.6 Ų136.680%0.79780%0.8SS**  cis-160.8173.6-11.7-1160000108.3
317P37.2Very low32.4Very low115 Ų115136.4 Ų136.475%0.74779%0.793SS**  trans-102.3-168.9-163.536.8-31.1000115.7
318V32.4Very low32.6Very low123 Ų123142.8 Ų142.875%0.74580%0.804SS**  trans86.5110.8166-168.20000117.8
319L30.7Very low32.9Very low158 Ų158136.8 Ų136.883%0.82780%0.798SS**  trans-150.381.6132.7-85.9-165.9000110.6
320N30.7Very low33.5Very low163 Ų163135.3 Ų135.387%0.87279%0.788SS**  trans-109.243.3168.4-164.717.3000111.2
321A30.8Very low34Very low84 Ų84133.6 Ų133.669%0.69478%0.781SS**  trans-163.982.8-177.200000112.1
322S35.2Very low34.8Very low95 Ų95129.1 Ų129.166%0.66477%0.771SS**  trans-154.820.4170.7-1590000116.6S324S322-S324 VanDerWaalsContact C-N 3.32Å
323L36.1Very low36Very low176 Ų176124.6 Ų124.692%0.92176%0.755SS**SBendtrans-84.5-0.7175.1-72.4174.6000114.1
324S39.9Very low37.3Very low110 Ų110120.1 Ų120.177%0.76974%0.741SS**SBendtrans-104.6-18.8-165.9-510000115.6S322S322-S324 VanDerWaalsContact C-N 3.32Å
325N38.4Very low38.9Very low145 Ų145117.1 Ų117.178%0.77572%0.724SS**  trans-103.416.6-171.3-70.2-0.5000113.9F327N325-F327 PolarHBondContact O-N 3.31Å
326L35.9Very low40.8Very low165 Ų165117.6 Ų117.686%0.86472%0.717SS**  trans-81.541.8-176.9-154.488.5000113.6
327F35Very low42.8Very low168 Ų168117.5 Ų117.574%0.73770%0.704SS**SBendtrans-142.3135.7175-104.4-93.7000110.1N325N325-F327 PolarHBondContact O-N 3.31Å
328Y32.1Very low44.3Very low226 Ų226114.3 Ų114.389%0.88669%0.688SS**SBendtrans66.970178.8-50.2-76.8000117
329G36.2Very low46.2Very low71 Ų71110.8 Ų110.873%0.73267%0.672SS**SBendtrans-164124.2166.600000112.8A331G329-A331 PolarHBondContact O-N 2.98Å
330S45.1Very low48.5Very low83 Ų83107.9 Ų107.958%0.5866%0.657SS**  trans-32.1116.6-175.8-178.80000115.8S332 A333 A334S330-S332 PolarHBondContact O-N 2.9Å; S330-S332 VanDerWaalsContact O-N 3.1Å; S330-A333 WeakPolarHBondContact O-CB 3.23Å; S330-A333 PolarHBondContact O-N 3.11Å; S330-A334 PolarHBondContact O-N 2.93Å
331A40.4Very low50.7Low85 Ų85106.1 Ų106.170%0.70264%0.638SS**Hα-helixtrans-57.7-26.5177.100000113.5G329 A333 A335G329-A331 PolarHBondContact O-N 2.98Å; A331-A333 VanDerWaalsContact C-N 3.35Å; A331-A335 WeakPolarHBondContact O-CB 3.38Å; A331-A335 PolarHBondContact O-N 3.41Å
332S47.8Very low52.9Low92 Ų92107.2 Ų107.264%0.64363%0.631SS**Hα-helixtrans-71.2-27.6176-171.60000113.3S330 L336S330-S332 PolarHBondContact O-N 2.9Å; S330-S332 VanDerWaalsContact O-N 3.1Å; S332-L336 PolarHBondContact O-N 2.87Å
333A56.4Low55Low59 Ų59108 Ų10849%0.48862%0.622SS.*Hα-helixtrans-75.4-47.1176.400000110.3S330 A331 A335 L336 E337S330-A333 WeakPolarHBondContact O-CB 3.23Å; S330-A333 PolarHBondContact O-N 3.11Å; A331-A333 VanDerWaalsContact C-N 3.35Å; A333-A335 VanDerWaalsContact C-N 3.29Å; A333-A335 PolarHBondContact O-N 2.79Å; A333-L336 PolarHBondContact O-N 3.38Å; A333-L336 VanDerWaalsContact O-N 3.14Å; A333-E337 PolarHBondContact O-N 2.86Å
334A55.3Low57.2Low62 Ų62104.5 Ų104.551%0.51260%0.602SS.*Hα-helixtrans-58.8-38.8174.200000112.3S330 A338S330-A334 PolarHBondContact O-N 2.93Å; A334-A338 WeakPolarHBondContact O-CB 3.42Å; A334-A338 PolarHBondContact O-N 3.07Å
335A61Low58.9Low62 Ų62105 Ų10551%0.51260%0.595SS.*Hα-helixtrans-64.9-39.3175.100000113.1A331 A333 A339A331-A335 WeakPolarHBondContact O-CB 3.38Å; A331-A335 PolarHBondContact O-N 3.41Å; A333-A335 VanDerWaalsContact C-N 3.29Å; A333-A335 PolarHBondContact O-N 2.79Å; A335-A339 WeakPolarHBondContact O-CB 3.44Å; A335-A339 PolarHBondContact O-N 2.85Å
336L70.3Confident60.8Low113 Ų113103.2 Ų103.259%0.59258%0.582SS**Hα-helixtrans-73.7-38.9178.4-169.567.6000112S332 A333 A339 N340S332-L336 PolarHBondContact O-N 2.87Å; A333-L336 PolarHBondContact O-N 3.38Å; A333-L336 VanDerWaalsContact O-N 3.14Å; L336-A339 PolarHBondContact O-N 3.35Å; L336-N340 PolarHBondContact O-N 2.66Å
337E72Confident63Low113 Ų113100.3 Ų100.353%0.52856%0.564SS.*Hα-helixtrans-65.7-38.8173.8-171.7174.6-178.600111.6A333 N340 R341A333-E337 PolarHBondContact O-N 2.86Å; E337-N340 PolarHBondContact O-N 2.94Å; E337-R341 PolarHBondContact O-N 3.37Å; E337-R341 IonicContact OE1-CZ 2.7Å; E337-R341 IonicContact OE1-NH1 3.64Å; E337-R341 PolarHBondContact OE1-NH1 3.04Å
338A67.9Low65.3Low48 Ų4896.2 Ų96.240%0.39755%0.55SS..Hα-helixtrans-64.5-42.3171.800000112.2A334 N340 R341 I342A334-A338 WeakPolarHBondContact O-CB 3.42Å; A334-A338 PolarHBondContact O-N 3.07Å; A338-N340 PolarHBondContact O-N 3.29Å; A338-R341 PolarHBondContact O-N 2.95Å; A338-I342 VanDerWaalsContact O-CG1 3.29Å; A338-I342 WeakPolarHBondContact O-CG1 3.39Å; A338-I342 PolarHBondContact O-N 2.93Å
339A72.5Confident67.5Low49 Ų4991.4 Ų91.441%0.40554%0.538SS..Hα-helixtrans-62.3-41.4175.500000112.1A335 L336 I342 K343A335-A339 WeakPolarHBondContact O-CB 3.44Å; A335-A339 PolarHBondContact O-N 2.85Å; L336-A339 PolarHBondContact O-N 3.35Å; A339-I342 PolarHBondContact O-N 3.46Å; A339-K343 PolarHBondContact O-N 3.44Å
340N79.2Confident69.7Low97 Ų9793.5 Ų93.552%0.51953%0.529SS..Hα-helixtrans-64.8-41.6174-73.7-16.4000111.8L336 E337 A338 K343 E344L336-N340 PolarHBondContact O-N 2.66Å; E337-N340 PolarHBondContact O-N 2.94Å; A338-N340 PolarHBondContact O-N 3.29Å; N340-K343 PolarHBondContact O-N 3.43Å; N340-E344 WeakPolarHBondContact O-CB 3.38Å; N340-E344 PolarHBondContact O-N 3.46Å
341R78.1Confident71.5Confident125 Ų12595 Ų9547%0.47253%0.527SS..Hα-helixtrans-63.4-38173.3-106.756176.9-104.46113.1E337 A338 E344 L345E337-R341 PolarHBondContact O-N 3.37Å; E337-R341 IonicContact OE1-CZ 2.7Å; E337-R341 IonicContact OE1-NH1 3.64Å; E337-R341 PolarHBondContact OE1-NH1 3.04Å; A338-R341 PolarHBondContact O-N 2.95Å; R341-E344 WeakPolarHBondContact CD-OE2 3.36Å; R341-E344 IonicContact NE-OE2 3.8Å; R341-E344 PolarHBondContact NE-OE2 3.28Å; R341-E344 PolarHBondContact O-N 3.12Å; R341-L345 VanDerWaalsContact O-CB 3.26Å; R341-L345 WeakPolarHBondContact O-CB 3.46Å; R341-L345 WeakPolarHBondContact O-CD1 3.46Å; R341-L345 WeakPolarHBondContact O-CG 3.07Å; R341-L345 PolarHBondContact O-N 3.38Å
342I75.5Confident73.4Confident108 Ų10898.8 Ų98.855%0.55452%0.523SS*.Hα-helixtrans-63.6-44174.3-71163.3000110.1A338 A339 L345 Q346A338-I342 VanDerWaalsContact O-CG1 3.29Å; A338-I342 WeakPolarHBondContact O-CG1 3.39Å; A338-I342 PolarHBondContact O-N 2.93Å; A339-I342 PolarHBondContact O-N 3.46Å; I342-L345 PolarHBondContact O-N 2.87Å; I342-Q346 VanDerWaalsContact O-CB 3.24Å; I342-Q346 WeakPolarHBondContact O-CB 3.36Å; I342-Q346 PolarHBondContact O-N 2.81Å
343K80.4Confident75Confident110 Ų11096.7 Ų96.748%0.47851%0.511SS..Hα-helixtrans-64.2-45.3176.4-174.2174.7178.7-69.90112.5A339 N340 Q346 E347A339-K343 PolarHBondContact O-N 3.44Å; N340-K343 PolarHBondContact O-N 3.43Å; K343-Q346 PolarHBondContact O-N 3.49Å; K343-E347 WeakPolarHBondContact CE-OE1 3.48Å; K343-E347 VanDerWaalsContact NZ-CD 3.26Å; K343-E347 IonicContact NZ-OE1 3.23Å; K343-E347 PolarHBondContact NZ-OE1 2.74Å; K343-E347 IonicContact NZ-OE2 2.73Å; K343-E347 PolarHBondContact NZ-OE2 3.38Å; K343-E347 WeakPolarHBondContact O-CG 3.15Å; K343-E347 PolarHBondContact O-N 3.37Å
344E81.2Confident76.3Confident104 Ų10497.5 Ų97.549%0.48651%0.513SS..Hα-helixtrans-60.8-43.5176-179.2177.6-143.800111.6N340 R341 N348N340-E344 WeakPolarHBondContact O-CB 3.38Å; N340-E344 PolarHBondContact O-N 3.46Å; R341-E344 WeakPolarHBondContact CD-OE2 3.36Å; R341-E344 IonicContact NE-OE2 3.8Å; R341-E344 PolarHBondContact NE-OE2 3.28Å; R341-E344 PolarHBondContact O-N 3.12Å; E344-N348 WeakPolarHBondContact O-CB 3.47Å; E344-N348 PolarHBondContact O-N 2.88Å; E344-N348 PolarHBondContact O-ND2 3.02Å
345L77Confident77.6Confident119 Ų11998.2 Ų98.262%0.62351%0.506SS*.Hα-helixtrans-65.5-36.8173.5-74.6168.9000112.3R341 I342 N348 L349R341-L345 VanDerWaalsContact O-CB 3.26Å; R341-L345 WeakPolarHBondContact O-CB 3.46Å; R341-L345 WeakPolarHBondContact O-CD1 3.46Å; R341-L345 WeakPolarHBondContact O-CG 3.07Å; R341-L345 PolarHBondContact O-N 3.38Å; I342-L345 PolarHBondContact O-N 2.87Å; L345-N348 PolarHBondContact O-N 3.44Å; L345-L349 WeakPolarHBondContact O-CB 3.41Å; L345-L349 PolarHBondContact O-N 3.02Å
346Q77.3Confident78.5Confident108 Ų108101 Ų10151%0.50551%0.511SS..Hα-helixtrans-70.1-42.8179.1-173.4172.5-1500111.8I342 K343 N348 L349 E350I342-Q346 VanDerWaalsContact O-CB 3.24Å; I342-Q346 WeakPolarHBondContact O-CB 3.36Å; I342-Q346 PolarHBondContact O-N 2.81Å; K343-Q346 PolarHBondContact O-N 3.49Å; Q346-N348 VanDerWaalsContact C-N 3.35Å; Q346-L349 WeakPolarHBondContact O-CB 3.32Å; Q346-L349 PolarHBondContact O-N 3.17Å; Q346-L349 VanDerWaalsContact O-N 3.1Å; Q346-E350 PolarHBondContact O-N 2.75Å
347E82.7Confident79Confident104 Ų104100 Ų10049%0.48651%0.506SS..Hα-helixtrans-62.9-40.5172.6-73.2174163.200111.3K343 L349 E350 Q351K343-E347 WeakPolarHBondContact CE-OE1 3.48Å; K343-E347 VanDerWaalsContact NZ-CD 3.26Å; K343-E347 IonicContact NZ-OE1 3.23Å; K343-E347 PolarHBondContact NZ-OE1 2.74Å; K343-E347 IonicContact NZ-OE2 2.73Å; K343-E347 PolarHBondContact NZ-OE2 3.38Å; K343-E347 WeakPolarHBondContact O-CG 3.15Å; K343-E347 PolarHBondContact O-N 3.37Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 3.15Å; E347-E350 PolarHBondContact O-N 3.48Å; E347-Q351 PolarHBondContact O-N 3.34Å
348N82.3Confident79.6Confident83 Ų8397.1 Ų97.144%0.44450%0.502SS..Hα-helixtrans-62-37.7170.6-86.6-87.1000112.4E344 L345 Q346 Q351 R352E344-N348 WeakPolarHBondContact O-CB 3.47Å; E344-N348 PolarHBondContact O-N 2.88Å; E344-N348 PolarHBondContact O-ND2 3.02Å; L345-N348 PolarHBondContact O-N 3.44Å; Q346-N348 VanDerWaalsContact C-N 3.35Å; N348-Q351 PolarHBondContact O-N 2.97Å; N348-R352 WeakPolarHBondContact O-CB 3.32Å; N348-R352 VanDerWaalsContact O-CG 3.26Å; N348-R352 WeakPolarHBondContact O-CG 3.46Å; N348-R352 PolarHBondContact O-N 3.32Å
349L79.4Confident80.2Confident124 Ų12497.1 Ų97.165%0.64950%0.502SS*.Hα-helixtrans-68.8-40178.5-135.6167.6000111.4L345 Q346 E347 R352 A353L345-L349 WeakPolarHBondContact O-CB 3.41Å; L345-L349 PolarHBondContact O-N 3.02Å; Q346-L349 WeakPolarHBondContact O-CB 3.32Å; Q346-L349 PolarHBondContact O-N 3.17Å; Q346-L349 VanDerWaalsContact O-N 3.1Å; E347-L349 VanDerWaalsContact C-N 3.33Å; E347-L349 PolarHBondContact O-N 3.15Å; L349-R352 PolarHBondContact O-N 3Å; L349-A353 VanDerWaalsContact O-CB 3.3Å; L349-A353 WeakPolarHBondContact O-CB 3.4Å; L349-A353 PolarHBondContact O-N 3.26Å
350E82.1Confident80.8Confident116 Ų116102.8 Ų102.854%0.54251%0.513SS..Hα-helixtrans-67.4-38.3174.3-72177.3-169.200112.1Q346 E347 A353 S354Q346-E350 PolarHBondContact O-N 2.75Å; E347-E350 PolarHBondContact O-N 3.48Å; E350-A353 PolarHBondContact O-N 2.83Å; E350-S354 WeakPolarHBondContact O-CB 3.46Å; E350-S354 PolarHBondContact O-N 3.26Å; E350-S354 PolarHBondContact O-OG 2.97Å
351Q83.4Confident81.1Confident113 Ų113106.9 Ų106.953%0.52852%0.521SS..Hα-helixtrans-62.5-49.3170.4-174.6-177.6-36.400111.2E347 N348 A353 S354 E355E347-Q351 PolarHBondContact O-N 3.34Å; N348-Q351 PolarHBondContact O-N 2.97Å; Q351-A353 VanDerWaalsContact C-N 3.32Å; Q351-A353 PolarHBondContact O-N 3.09Å; Q351-S354 WeakPolarHBondContact O-CA 3.32Å; Q351-S354 WeakPolarHBondContact O-CB 3.4Å; Q351-S354 PolarHBondContact O-N 2.74Å; Q351-E355 PolarHBondContact NE2-OE1 3.13Å; Q351-E355 WeakPolarHBondContact O-CG 3.37Å; Q351-E355 PolarHBondContact O-N 2.98Å
352R79.7Confident81.3Confident166 Ų166107 Ų10763%0.62653%0.528SS*.Hα-helixtrans-63-35.6178-71.3-57-168.31694.2113N348 L349 S354 E355 L356N348-R352 WeakPolarHBondContact O-CB 3.32Å; N348-R352 VanDerWaalsContact O-CG 3.26Å; N348-R352 WeakPolarHBondContact O-CG 3.46Å; N348-R352 PolarHBondContact O-N 3.32Å; L349-R352 PolarHBondContact O-N 3Å; R352-S354 VanDerWaalsContact C-N 3.31Å; R352-E355 WeakPolarHBondContact CD-OE2 3.48Å; R352-E355 IonicContact CZ-OE2 3.41Å; R352-E355 IonicContact NE-OE2 3.04Å; R352-E355 IonicContact NH1-OE2 3.98Å; R352-E355 PolarHBondContact NH1-OE2 3.44Å; R352-L356 VanDerWaalsContact O-CB 3.25Å; R352-L356 WeakPolarHBondContact O-CB 3.47Å; R352-L356 PolarHBondContact O-N 3.01Å
353A80.7Confident81.5Confident47 Ų47106.2 Ų106.239%0.38853%0.527SS..Hα-helixtrans-65.4-36.1172.600000111.9L349 E350 Q351 L357L349-A353 VanDerWaalsContact O-CB 3.3Å; L349-A353 WeakPolarHBondContact O-CB 3.4Å; L349-A353 PolarHBondContact O-N 3.26Å; E350-A353 PolarHBondContact O-N 2.83Å; Q351-A353 VanDerWaalsContact C-N 3.32Å; Q351-A353 PolarHBondContact O-N 3.09Å; A353-L357 WeakPolarHBondContact O-CB 3.31Å; A353-L357 PolarHBondContact O-N 3.18Å
354S84Confident81.7Confident76 Ų76106 Ų10653%0.53153%0.53SS..Hα-helixtrans-70.1-44.3175.7-57.70000112.3E350 Q351 R352 L357 A358E350-S354 WeakPolarHBondContact O-CB 3.46Å; E350-S354 PolarHBondContact O-N 3.26Å; E350-S354 PolarHBondContact O-OG 2.97Å; Q351-S354 WeakPolarHBondContact O-CA 3.32Å; Q351-S354 WeakPolarHBondContact O-CB 3.4Å; Q351-S354 PolarHBondContact O-N 2.74Å; R352-S354 VanDerWaalsContact C-N 3.31Å; S354-L357 PolarHBondContact O-N 2.66Å; S354-A358 PolarHBondContact O-N 2.77Å
355E82.4Confident81.7Confident77 Ų77106.6 Ų106.636%0.3653%0.533SS..Hα-helixtrans-58.3-45.1171.6-72171.1-163.500111.4Q351 R352 L357 A358 A359Q351-E355 PolarHBondContact NE2-OE1 3.13Å; Q351-E355 WeakPolarHBondContact O-CG 3.37Å; Q351-E355 PolarHBondContact O-N 2.98Å; R352-E355 WeakPolarHBondContact CD-OE2 3.48Å; R352-E355 IonicContact CZ-OE2 3.41Å; R352-E355 IonicContact NE-OE2 3.04Å; R352-E355 IonicContact NH1-OE2 3.98Å; R352-E355 PolarHBondContact NH1-OE2 3.44Å; E355-L357 PolarHBondContact O-N 2.97Å; E355-A358 PolarHBondContact O-N 3.2Å; E355-A359 WeakPolarHBondContact O-CB 3.35Å; E355-A359 PolarHBondContact O-N 2.76Å
356L80.1Confident81.8Confident120 Ų120106 Ų10663%0.62853%0.53SS*.Hα-helixtrans-67.1-34.8177.9-170.8149.7000112.1R352 R360R352-L356 VanDerWaalsContact O-CB 3.25Å; R352-L356 WeakPolarHBondContact O-CB 3.47Å; R352-L356 PolarHBondContact O-N 3.01Å; L356-R360 VanDerWaalsContact O-CB 3.3Å; L356-R360 WeakPolarHBondContact O-CB 3.45Å; L356-R360 PolarHBondContact O-N 2.86Å
357L81.9Confident82.1Confident92 Ų92105.1 Ų105.148%0.48253%0.532SS..Hα-helixtrans-65.8-39.4171-97166.2000112.4A353 S354 E355 R360 R361A353-L357 WeakPolarHBondContact O-CB 3.31Å; A353-L357 PolarHBondContact O-N 3.18Å; S354-L357 PolarHBondContact O-N 2.66Å; E355-L357 PolarHBondContact O-N 2.97Å; L357-R360 PolarHBondContact O-N 3.4Å; L357-R361 WeakPolarHBondContact O-CG 3.26Å; L357-R361 PolarHBondContact O-N 3.49Å; L357-R361 VanDerWaalsContact O-N 3.1Å
358A83.5Confident82.1Confident54 Ų54102.6 Ų102.645%0.44653%0.526SS..Hα-helixtrans-65.8-47.2175.100000111.4S354 E355 R360 R361 Q362S354-A358 PolarHBondContact O-N 2.77Å; E355-A358 PolarHBondContact O-N 3.2Å; A358-R360 VanDerWaalsContact C-N 3.31Å; A358-R360 PolarHBondContact O-N 3.28Å; A358-R361 WeakPolarHBondContact O-CB 3.27Å; A358-R361 PolarHBondContact O-N 3.2Å; A358-R361 VanDerWaalsContact O-N 3.1Å; A358-Q362 PolarHBondContact O-N 2.97Å
359A81.4Confident82.1Confident48 Ų48106.7 Ų106.740%0.39754%0.535SS..Hα-helixtrans-59-40.9174.200000111.9E355 R361 Q362 V363E355-A359 WeakPolarHBondContact O-CB 3.35Å; E355-A359 PolarHBondContact O-N 2.76Å; A359-R361 VanDerWaalsContact C-N 3.32Å; A359-R361 PolarHBondContact O-N 3.33Å; A359-Q362 PolarHBondContact O-N 3.46Å; A359-V363 WeakPolarHBondContact O-CG2 3.5Å; A359-V363 PolarHBondContact O-N 2.89Å
360R84.5Confident82Confident168 Ų168104.3 Ų104.363%0.63453%0.529SS*.Hα-helixtrans-63.1-34.6175.5-172.7177.1179.3-164.8-0.7112.7L356 L357 A358 I364L356-R360 VanDerWaalsContact O-CB 3.3Å; L356-R360 WeakPolarHBondContact O-CB 3.45Å; L356-R360 PolarHBondContact O-N 2.86Å; L357-R360 PolarHBondContact O-N 3.4Å; A358-R360 VanDerWaalsContact C-N 3.31Å; A358-R360 PolarHBondContact O-N 3.28Å; R360-I364 HydrophobicContact CG-CD1 4.43Å; R360-I364 WeakPolarHBondContact O-CG1 3.39Å; R360-I364 PolarHBondContact O-N 3.15Å
361R84.9Confident82Confident182 Ų182107.5 Ų107.569%0.68754%0.536SS*.Hα-helixtrans-67-46.1173.2-69.4176.6-168.7-157.24.4111.3L357 A358 A359 V363 I364 E365L357-R361 WeakPolarHBondContact O-CG 3.26Å; L357-R361 PolarHBondContact O-N 3.49Å; L357-R361 VanDerWaalsContact O-N 3.1Å; A358-R361 WeakPolarHBondContact O-CB 3.27Å; A358-R361 PolarHBondContact O-N 3.2Å; A358-R361 VanDerWaalsContact O-N 3.1Å; A359-R361 VanDerWaalsContact C-N 3.32Å; A359-R361 PolarHBondContact O-N 3.33Å; R361-V363 VanDerWaalsContact C-N 3.31Å; R361-V363 PolarHBondContact O-N 3.43Å; R361-I364 WeakPolarHBondContact O-CB 3.23Å; R361-I364 PolarHBondContact O-N 2.87Å; R361-I364 VanDerWaalsContact O-N 3.08Å; R361-E365 PolarHBondContact O-N 2.9Å
362Q83.4Confident81.8Confident129 Ų129106.9 Ų106.960%0.60353%0.533SS*.Hα-helixtrans-59-40.2174.9-73.7-176-22.500112.3A358 A359 I364 E365 L366A358-Q362 PolarHBondContact O-N 2.97Å; A359-Q362 PolarHBondContact O-N 3.46Å; Q362-I364 VanDerWaalsContact C-N 3.32Å; Q362-I364 PolarHBondContact O-N 3.04Å; Q362-E365 PolarHBondContact O-N 2.92Å; Q362-L366 WeakPolarHBondContact O-CB 3.15Å; Q362-L366 VanDerWaalsContact O-CG 3.27Å; Q362-L366 WeakPolarHBondContact O-CG 3.46Å; Q362-L366 PolarHBondContact O-N 3.1Å
363V80.4Confident81.6Confident90 Ų90102.6 Ų102.655%0.54553%0.528SS..Hα-helixtrans-62.3-38.4174.9170.20000111.7A359 R361 T367A359-V363 WeakPolarHBondContact O-CG2 3.5Å; A359-V363 PolarHBondContact O-N 2.89Å; R361-V363 VanDerWaalsContact C-N 3.31Å; R361-V363 PolarHBondContact O-N 3.43Å; V363-T367 VanDerWaalsContact O-CB 3.29Å; V363-T367 WeakPolarHBondContact O-CB 3.48Å; V363-T367 PolarHBondContact O-N 3.47Å; V363-T367 PolarHBondContact O-OG1 3.36Å
364I83.3Confident81.6Confident106 Ų106103.8 Ų103.854%0.54453%0.534SS..Hα-helixtrans-66.9-44.9176-68.2163.8000110.9R360 R361 Q362 T367 S368R360-I364 HydrophobicContact CG-CD1 4.43Å; R360-I364 WeakPolarHBondContact O-CG1 3.39Å; R360-I364 PolarHBondContact O-N 3.15Å; R361-I364 WeakPolarHBondContact O-CB 3.23Å; R361-I364 PolarHBondContact O-N 2.87Å; R361-I364 VanDerWaalsContact O-N 3.08Å; Q362-I364 VanDerWaalsContact C-N 3.32Å; Q362-I364 PolarHBondContact O-N 3.04Å; I364-T367 WeakPolarHBondContact O-CB 3.21Å; I364-T367 PolarHBondContact O-N 3.27Å; I364-T367 VanDerWaalsContact O-N 3.15Å; I364-S368 PolarHBondContact O-N 3.14Å
365E82.2Confident81.4Confident116 Ų116104.5 Ų104.554%0.54253%0.532SS..Hα-helixtrans-64.9-43178.6-171.3-176.8158.400112.3R361 Q362 T367 S368 R369R361-E365 PolarHBondContact O-N 2.9Å; Q362-E365 PolarHBondContact O-N 2.92Å; E365-T367 VanDerWaalsContact C-N 3.26Å; E365-T367 PolarHBondContact O-N 3.35Å; E365-S368 PolarHBondContact O-N 3.02Å; E365-S368 PolarHBondContact O-OG 3.36Å; E365-S368 VanDerWaalsContact O-OG 3.1Å; E365-R369 VanDerWaalsContact O-CB 3.31Å; E365-R369 WeakPolarHBondContact O-CB 3.32Å; E365-R369 PolarHBondContact O-N 3.27Å
366L79.2Confident81.4Confident107 Ų107104.3 Ų104.356%0.5654%0.539SS*.Hα-helixtrans-65.6-30.3172.5-68.7172.2000111.9Q362 S370Q362-L366 WeakPolarHBondContact O-CB 3.15Å; Q362-L366 VanDerWaalsContact O-CG 3.27Å; Q362-L366 WeakPolarHBondContact O-CG 3.46Å; Q362-L366 PolarHBondContact O-N 3.1Å; L366-S370 WeakPolarHBondContact O-CB 3.43Å; L366-S370 PolarHBondContact O-N 2.9Å
367T82.8Confident81.4Confident90 Ų90103.8 Ų103.855%0.55254%0.536SS*.Hα-helixtrans-72.3-40.4175-590000111.9V363 I364 E365 R371V363-T367 VanDerWaalsContact O-CB 3.29Å; V363-T367 WeakPolarHBondContact O-CB 3.48Å; V363-T367 PolarHBondContact O-N 3.47Å; V363-T367 PolarHBondContact O-OG1 3.36Å; I364-T367 WeakPolarHBondContact O-CB 3.21Å; I364-T367 PolarHBondContact O-N 3.27Å; I364-T367 VanDerWaalsContact O-N 3.15Å; E365-T367 VanDerWaalsContact C-N 3.26Å; E365-T367 PolarHBondContact O-N 3.35Å; T367-R371 WeakPolarHBondContact O-CB 3.34Å; T367-R371 PolarHBondContact O-N 3.37Å
368S82.9Confident81.2Confident51 Ų51103.3 Ų103.336%0.35754%0.54SS..Hα-helixtrans-66.3-47174.375.60000110.6I364 E365 S370 R371 E372I364-S368 PolarHBondContact O-N 3.14Å; E365-S368 PolarHBondContact O-N 3.02Å; E365-S368 PolarHBondContact O-OG 3.36Å; E365-S368 VanDerWaalsContact O-OG 3.1Å; S368-S370 VanDerWaalsContact C-N 3.31Å; S368-S370 PolarHBondContact O-N 2.83Å; S368-R371 CarbonylContact O-C 3.41Å; S368-R371 WeakPolarHBondContact O-CA 3.05Å; S368-R371 WeakPolarHBondContact O-CB 3.48Å; S368-R371 PolarHBondContact O-N 3.49Å; S368-E372 WeakPolarHBondContact CB-OE1 3.48Å; S368-E372 WeakPolarHBondContact O-CG 3.31Å; S368-E372 PolarHBondContact O-N 2.94Å; S368-E372 PolarHBondContact OG-OE1 2.95Å
369R82.3Confident81.2Confident169 Ų169106.2 Ų106.264%0.63855%0.548SS*.Hα-helixtrans-63.5-33.8178.6-159.9167.8-176.7158-0.1113.2E365 S373E365-R369 VanDerWaalsContact O-CB 3.31Å; E365-R369 WeakPolarHBondContact O-CB 3.32Å; E365-R369 PolarHBondContact O-N 3.27Å; R369-S373 WeakPolarHBondContact O-CB 3.36Å; R369-S373 PolarHBondContact O-N 3.42Å
370S77.5Confident81.1Confident74 Ų74106.3 Ų106.352%0.51755%0.549SS..Hα-helixtrans-66.9-37.2169.7-1760000112.3L366 S368 S374L366-S370 WeakPolarHBondContact O-CB 3.43Å; L366-S370 PolarHBondContact O-N 2.9Å; S368-S370 VanDerWaalsContact C-N 3.31Å; S368-S370 PolarHBondContact O-N 2.83Å; S370-S374 WeakPolarHBondContact O-CB 3.5Å; S370-S374 PolarHBondContact O-N 2.99Å
371R82.3Confident80.9Confident182 Ų182102.3 Ų102.369%0.68754%0.537SS*.Hα-helixtrans-71.7-39.8176.2-171.8177-174.1168.11.7111.9T367 S368 S374 N375T367-R371 WeakPolarHBondContact O-CB 3.34Å; T367-R371 PolarHBondContact O-N 3.37Å; S368-R371 CarbonylContact O-C 3.41Å; S368-R371 WeakPolarHBondContact O-CA 3.05Å; S368-R371 WeakPolarHBondContact O-CB 3.48Å; S368-R371 PolarHBondContact O-N 3.49Å; R371-S374 PolarHBondContact O-N 3.47Å; R371-N375 WeakPolarHBondContact O-CB 3.06Å; R371-N375 PolarHBondContact O-N 3.4Å; R371-N375 PolarHBondContact O-OD1 2.98Å
372E79.5Confident80.7Confident100 Ų10097.3 Ų97.347%0.46753%0.53SS..Hα-helixtrans-58.7-51.5172.3-69.5149.3-142.500110.2S368 S374 N375 S376S368-E372 WeakPolarHBondContact CB-OE1 3.48Å; S368-E372 WeakPolarHBondContact O-CG 3.31Å; S368-E372 PolarHBondContact O-N 2.94Å; S368-E372 PolarHBondContact OG-OE1 2.95Å; E372-S374 VanDerWaalsContact C-N 3.33Å; E372-S374 PolarHBondContact O-N 3.34Å; E372-N375 WeakPolarHBondContact O-CB 3.41Å; E372-N375 PolarHBondContact O-N 3.31Å; E372-N375 VanDerWaalsContact O-N 3.11Å; E372-S376 PolarHBondContact O-N 3.33Å; E372-S376 PolarHBondContact O-OG 2.72Å
373S75.1Confident80.6Confident76 Ų7697.6 Ų97.653%0.53153%0.532SS..Hα-helixtrans-58.6-40.7174.9-1790000112.8R369 S376 L377R369-S373 WeakPolarHBondContact O-CB 3.36Å; R369-S373 PolarHBondContact O-N 3.42Å; S373-S376 PolarHBondContact O-N 3.28Å; S373-L377 WeakPolarHBondContact O-CB 3.41Å; S373-L377 PolarHBondContact O-N 2.92Å
374S79.4Confident80.5Confident72 Ų7295.3 Ų95.350%0.50352%0.516SS..Hα-helixtrans-66.3-36175.2-168.90000112.9S370 R371 E372 S378S370-S374 WeakPolarHBondContact O-CB 3.5Å; S370-S374 PolarHBondContact O-N 2.99Å; R371-S374 PolarHBondContact O-N 3.47Å; E372-S374 VanDerWaalsContact C-N 3.33Å; E372-S374 PolarHBondContact O-N 3.34Å; S374-S378 PolarHBondContact O-N 2.84Å
375N80.8Confident80.3Confident92 Ų9294.3 Ų94.349%0.49251%0.512SS..Hα-helixtrans-69.1-43.8174.7-70.9-8.7000110.8R371 E372 L377 S378 L379R371-N375 WeakPolarHBondContact O-CB 3.06Å; R371-N375 PolarHBondContact O-N 3.4Å; R371-N375 PolarHBondContact O-OD1 2.98Å; E372-N375 WeakPolarHBondContact O-CB 3.41Å; E372-N375 PolarHBondContact O-N 3.31Å; E372-N375 VanDerWaalsContact O-N 3.11Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.1Å; N375-S378 WeakPolarHBondContact O-CB 3.49Å; N375-S378 PolarHBondContact O-N 3.39Å; N375-S378 VanDerWaalsContact O-N 3.15Å; N375-L379 WeakPolarHBondContact O-CG 3.38Å; N375-L379 PolarHBondContact O-N 2.94Å
376S82.2Confident80.3Confident73 Ų7398.2 Ų98.251%0.5152%0.522SS..Hα-helixtrans-60.8-40.6174.5-61.80000112E372 S373 S378 L379 A380E372-S376 PolarHBondContact O-N 3.33Å; E372-S376 PolarHBondContact O-OG 2.72Å; S373-S376 PolarHBondContact O-N 3.28Å; S376-S378 VanDerWaalsContact C-N 3.34Å; S376-L379 PolarHBondContact O-N 3.08Å; S376-A380 WeakPolarHBondContact O-CB 3.16Å; S376-A380 PolarHBondContact O-N 3Å
377L79.6Confident80.2Confident109 Ų10995 Ų9557%0.57151%0.51SS*.Hα-helixtrans-63.4-39.5173.3-178.362.4000111.8S373 N375 A380 Q381S373-L377 WeakPolarHBondContact O-CB 3.41Å; S373-L377 PolarHBondContact O-N 2.92Å; N375-L377 VanDerWaalsContact C-N 3.33Å; N375-L377 PolarHBondContact O-N 3.1Å; L377-A380 PolarHBondContact O-N 3.32Å; L377-Q381 VanDerWaalsContact O-CB 3.26Å; L377-Q381 WeakPolarHBondContact O-CB 3.49Å; L377-Q381 PolarHBondContact O-N 2.87Å
378S78.8Confident80.1Confident81 Ų8194.1 Ų94.157%0.56650%0.502SS*.Hα-helixtrans-64.4-41.2175.6-167.60000112.3S374 N375 S376 Q381 S382S374-S378 PolarHBondContact O-N 2.84Å; N375-S378 WeakPolarHBondContact O-CB 3.49Å; N375-S378 PolarHBondContact O-N 3.39Å; N375-S378 VanDerWaalsContact O-N 3.15Å; S376-S378 VanDerWaalsContact C-N 3.34Å; S378-Q381 PolarHBondContact O-N 2.78Å; S378-S382 PolarHBondContact O-N 3.07Å
379L82.9Confident79.9Confident116 Ų11693.7 Ų93.761%0.60750%0.496SS*.Hα-helixtrans-64.2-48.9173.8-70.4170.7000111.5N375 S376 Q381 S382 E383N375-L379 WeakPolarHBondContact O-CG 3.38Å; N375-L379 PolarHBondContact O-N 2.94Å; S376-L379 PolarHBondContact O-N 3.08Å; L379-Q381 VanDerWaalsContact C-N 3.28Å; L379-Q381 PolarHBondContact O-N 3.43Å; L379-S382 CarbonylContact O-C 3.58Å; L379-S382 WeakPolarHBondContact O-CA 3.26Å; L379-S382 WeakPolarHBondContact O-CB 3.29Å; L379-S382 PolarHBondContact O-N 3.5Å; L379-E383 PolarHBondContact O-N 2.89Å
380A78.3Confident79.9Confident50 Ų5090.6 Ų90.641%0.41349%0.489SS..Hα-helixtrans-61.9-34176.800000112.8S376 L377 L384S376-A380 WeakPolarHBondContact O-CB 3.16Å; S376-A380 PolarHBondContact O-N 3Å; L377-A380 PolarHBondContact O-N 3.32Å; A380-L384 VanDerWaalsContact O-CB 3.25Å; A380-L384 WeakPolarHBondContact O-CB 3.34Å; A380-L384 PolarHBondContact O-N 3.43Å
381Q80.8Confident79.8Confident84 Ų8489 Ų8939%0.39347%0.474SS..Hα-helixtrans-67.8-36.9172.8-167.183.67.300111.4L377 S378 L379 N385L377-Q381 VanDerWaalsContact O-CB 3.26Å; L377-Q381 WeakPolarHBondContact O-CB 3.49Å; L377-Q381 PolarHBondContact O-N 2.87Å; S378-Q381 PolarHBondContact O-N 2.78Å; L379-Q381 VanDerWaalsContact C-N 3.28Å; L379-Q381 PolarHBondContact O-N 3.43Å; Q381-N385 WeakPolarHBondContact O-CB 3.43Å; Q381-N385 PolarHBondContact O-N 2.82Å; Q381-N385 PolarHBondContact O-OD1 2.86Å
382S82.1Confident79.5Confident76 Ų7681.9 Ų81.953%0.53145%0.448SS..Hα-helixtrans-68.5-41.5174.4-168.80000112.2S378 L379 N385 R386S378-S382 PolarHBondContact O-N 3.07Å; L379-S382 CarbonylContact O-C 3.58Å; L379-S382 WeakPolarHBondContact O-CA 3.26Å; L379-S382 WeakPolarHBondContact O-CB 3.29Å; L379-S382 PolarHBondContact O-N 3.5Å; S382-N385 PolarHBondContact O-N 2.85Å; S382-R386 WeakPolarHBondContact O-CB 3.41Å; S382-R386 PolarHBondContact O-N 3.04Å
383E80.3Confident79.5Confident136 Ų13683.4 Ų83.464%0.63645%0.45SS*.Hα-helixtrans-66.9-40.5174.7-70.4-179.7155.200112L379 R386 A387L379-E383 PolarHBondContact O-N 2.89Å; E383-R386 PolarHBondContact O-N 3.22Å; E383-A387 WeakPolarHBondContact O-CB 3.28Å; E383-A387 PolarHBondContact O-N 3.31Å
384L77.8Confident79.5Confident41 Ų4181.7 Ų81.722%0.21543%0.434CS..Hα-helixtrans-61.1-43.9171.5178.865.6000111.7A380 R386 A387 N388 R662A380-L384 VanDerWaalsContact O-CB 3.25Å; A380-L384 WeakPolarHBondContact O-CB 3.34Å; A380-L384 PolarHBondContact O-N 3.43Å; L384-R386 VanDerWaalsContact C-N 3.32Å; L384-R386 PolarHBondContact O-N 2.88Å; L384-A387 PolarHBondContact O-N 3.41Å; L384-N388 WeakPolarHBondContact O-CB 3.5Å; L384-N388 PolarHBondContact O-N 3.23Å; L384-N388 PolarHBondContact O-ND2 2.99Å; L384-R662 VanDerWaalsContact CD2-CZ 3.42Å
385N79.9Confident79.6Confident86 Ų8680.1 Ų80.146%0.4642%0.422SS..Hα-helixtrans-62.2-41.4175-74.3-7.7000111.1Q381 S382 N388 D389Q381-N385 WeakPolarHBondContact O-CB 3.43Å; Q381-N385 PolarHBondContact O-N 2.82Å; Q381-N385 PolarHBondContact O-OD1 2.86Å; S382-N385 PolarHBondContact O-N 2.85Å; N385-N388 PolarHBondContact O-N 3.44Å; N385-D389 WeakPolarHBondContact O-CB 3.18Å; N385-D389 PolarHBondContact O-N 3.07Å
386R81Confident79.5Confident198 Ų19878.1 Ų78.175%0.74741%0.408SS*.Hα-helixtrans-66-35.7176.2-173175-177.9153.3-0.6112.8S382 E383 L384 Q390S382-R386 WeakPolarHBondContact O-CB 3.41Å; S382-R386 PolarHBondContact O-N 3.04Å; E383-R386 PolarHBondContact O-N 3.22Å; L384-R386 VanDerWaalsContact C-N 3.32Å; L384-R386 PolarHBondContact O-N 2.88Å; R386-Q390 PolarHBondContact O-N 3.02Å; R386-Q390 VanDerWaalsContact O-N 3.15Å
387A78.9Confident79.2Confident38 Ų3879.9 Ų79.931%0.31441%0.408SS..Hα-helixtrans-68.9-42.4173.200000111.5E383 L384 Q390 I391E383-A387 WeakPolarHBondContact O-CB 3.28Å; E383-A387 PolarHBondContact O-N 3.31Å; L384-A387 PolarHBondContact O-N 3.41Å; A387-Q390 PolarHBondContact O-N 2.88Å; A387-Q390 VanDerWaalsContact O-N 3.12Å; A387-I391 VanDerWaalsContact O-CG1 3.31Å; A387-I391 WeakPolarHBondContact O-CG1 3.34Å; A387-I391 PolarHBondContact O-N 3.48Å
388N79.6Confident79.1Confident73 Ų7379 Ų7939%0.3940%0.403SS..Hα-helixtrans-60.6-47.6172.3-74.1-26.4000111.4L384 N385 Q390 I391 E392L384-N388 WeakPolarHBondContact O-CB 3.5Å; L384-N388 PolarHBondContact O-N 3.23Å; L384-N388 PolarHBondContact O-ND2 2.99Å; N385-N388 PolarHBondContact O-N 3.44Å; N388-Q390 PolarHBondContact O-N 2.95Å; N388-Q390 VanDerWaalsContact O-N 3.12Å; N388-I391 PolarHBondContact O-N 3.45Å; N388-E392 VanDerWaalsContact O-CB 3.3Å; N388-E392 WeakPolarHBondContact O-CB 3.31Å; N388-E392 PolarHBondContact O-N 3.08Å
389D79.5Confident79.2Confident42 Ų4278.6 Ų78.623%0.22539%0.389CS..Hα-helixtrans-55.7-26173.7-118.167.6000112.5N385 R393 R1603N385-D389 WeakPolarHBondContact O-CB 3.18Å; N385-D389 PolarHBondContact O-N 3.07Å; D389-R393 WeakPolarHBondContact O-CD 3.44Å; D389-R393 WeakPolarHBondContact O-CG 2.95Å; D389-R393 PolarHBondContact O-NE 3.02Å; D389-R393 IonicContact OD2-CZ 3.89Å; D389-R393 IonicContact OD2-NH2 3.19Å; D389-R393 PolarHBondContact OD2-NH2 3.19Å; D389-R1603 IonicContact OD1-CZ 3.17Å; D389-R1603 IonicContact OD1-NH1 2.94Å; D389-R1603 PolarHBondContact OD1-NH1 3.19Å
390Q82Confident78.9Confident104 Ų10475.7 Ų75.749%0.48637%0.373SS..Hα-helixtrans-89.8-42.7176.5179.6173.4-15.600112.8R386 A387 N388 E392 R393 L394R386-Q390 PolarHBondContact O-N 3.02Å; R386-Q390 VanDerWaalsContact O-N 3.15Å; A387-Q390 PolarHBondContact O-N 2.88Å; A387-Q390 VanDerWaalsContact O-N 3.12Å; N388-Q390 PolarHBondContact O-N 2.95Å; N388-Q390 VanDerWaalsContact O-N 3.12Å; Q390-E392 VanDerWaalsContact C-N 3.29Å; Q390-E392 PolarHBondContact O-N 3.33Å; Q390-R393 PolarHBondContact O-N 3.01Å; Q390-L394 HydrophobicContact CG-CD1 4.35Å; Q390-L394 WeakPolarHBondContact O-CG 3.12Å; Q390-L394 PolarHBondContact O-N 3.4Å
391I74.7Confident78.6Confident41 Ų4176 Ų7621%0.2137%0.372CS..Hα-helixtrans-57.7-47.3173.2-69.8161.5000109.2A387 N388 R393 L394 T395 L655A387-I391 VanDerWaalsContact O-CG1 3.31Å; A387-I391 WeakPolarHBondContact O-CG1 3.34Å; A387-I391 PolarHBondContact O-N 3.48Å; N388-I391 PolarHBondContact O-N 3.45Å; I391-R393 PolarHBondContact O-N 3.27Å; I391-L394 PolarHBondContact O-N 2.97Å; I391-T395 PolarHBondContact O-N 3.13Å; I391-T395 PolarHBondContact O-OG1 3.33Å; I391-T395 VanDerWaalsContact O-OG1 3.12Å; I391-L655 HydrophobicContact CD1-CD1 4.22Å; I391-L655 HydrophobicContact CD1-CD2 3.82Å
392E76.8Confident78.4Confident31 Ų3176.5 Ų76.515%0.14537%0.374CS..Hα-helixtrans-55.5-52.6176.6-160.6-135.5-171.100109.9N388 Q390 L394 T395 R396 E1605 Y1608N388-E392 VanDerWaalsContact O-CB 3.3Å; N388-E392 WeakPolarHBondContact O-CB 3.31Å; N388-E392 PolarHBondContact O-N 3.08Å; Q390-E392 VanDerWaalsContact C-N 3.29Å; Q390-E392 PolarHBondContact O-N 3.33Å; E392-L394 VanDerWaalsContact C-N 3.33Å; E392-L394 PolarHBondContact O-N 3.04Å; E392-T395 CarbonylContact O-C 3.49Å; E392-T395 WeakPolarHBondContact O-CA 3.5Å; E392-T395 VanDerWaalsContact O-CB 3.26Å; E392-T395 WeakPolarHBondContact O-CB 3.46Å; E392-T395 PolarHBondContact O-N 2.8Å; E392-R396 PolarHBondContact O-N 3.45Å; E392-R396 VanDerWaalsContact O-N 3.09Å; E392-E1605 VanDerWaalsContact OE1-CB 3.29Å; E392-E1605 WeakPolarHBondContact OE1-CB 3.22Å; E392-E1605 VanDerWaalsContact OE1-CD 3.31Å; E392-Y1608 VanDerWaalsContact C-OH 3.31Å; E392-Y1608 HydrophobicContact CG-CE1 4.11Å; E392-Y1608 HydrophobicContact CG-CE2 4.01Å; E392-Y1608 WeakPolarHBondContact O-CE1 3.48Å; E392-Y1608 PolarHBondContact O-OH 3.11Å; E392-Y1608 WeakPolarHBondContact OE1-CE2 3.39Å; E392-Y1608 VanDerWaalsContact OE2-CE2 3.24Å; E392-Y1608 WeakPolarHBondContact OE2-CE2 3.19Å; E392-Y1608 PolarHBondContact OE2-OH 2.85Å
393R78.8Confident78.1Confident132 Ų13274.4 Ų74.450%0.49836%0.356SS..Hα-helixtrans-54.7-43.6177.3-72.6167.8-148.2-163.95.2113.4D389 Q390 I391 T395 R396 E397 Y1608D389-R393 WeakPolarHBondContact O-CD 3.44Å; D389-R393 WeakPolarHBondContact O-CG 2.95Å; D389-R393 PolarHBondContact O-NE 3.02Å; D389-R393 IonicContact OD2-CZ 3.89Å; D389-R393 IonicContact OD2-NH2 3.19Å; D389-R393 PolarHBondContact OD2-NH2 3.19Å; Q390-R393 PolarHBondContact O-N 3.01Å; I391-R393 PolarHBondContact O-N 3.27Å; R393-T395 VanDerWaalsContact C-N 3.29Å; R393-T395 PolarHBondContact O-N 3.08Å; R393-R396 WeakPolarHBondContact O-CA 3.34Å; R393-R396 WeakPolarHBondContact O-CB 3.49Å; R393-R396 PolarHBondContact O-N 2.92Å; R393-E397 PolarHBondContact O-N 2.99Å; R393-E397 VanDerWaalsContact O-N 3.13Å; R393-Y1608 WeakPolarHBondContact CA-OH 3.42Å; R393-Y1608 PolarHBondContact N-OH 2.97Å
394L76.5Confident77.7Confident40 Ų4074 Ų7421%0.20935%0.348CS..Hα-helixtrans-65.4-33176.8-68.7170.7000111.8Q390 I391 E392 R396 E397 L398 I651Q390-L394 HydrophobicContact CG-CD1 4.35Å; Q390-L394 WeakPolarHBondContact O-CG 3.12Å; Q390-L394 PolarHBondContact O-N 3.4Å; I391-L394 PolarHBondContact O-N 2.97Å; E392-L394 VanDerWaalsContact C-N 3.33Å; E392-L394 PolarHBondContact O-N 3.04Å; L394-R396 VanDerWaalsContact C-N 3.27Å; L394-R396 PolarHBondContact O-N 3.17Å; L394-E397 PolarHBondContact O-N 2.96Å; L394-L398 WeakPolarHBondContact O-CB 3.32Å; L394-L398 PolarHBondContact O-N 3.03Å; L394-I651 HydrophobicContact CD1-CD1 3.64Å
395T80.2Confident77.5Confident39 Ų3976.8 Ų76.824%0.23936%0.356CS..Hα-helixtrans-65.1-25.3168-50.30000112.7I391 E392 R393 R399I391-T395 PolarHBondContact O-N 3.13Å; I391-T395 PolarHBondContact O-OG1 3.33Å; I391-T395 VanDerWaalsContact O-OG1 3.12Å; E392-T395 CarbonylContact O-C 3.49Å; E392-T395 WeakPolarHBondContact O-CA 3.5Å; E392-T395 VanDerWaalsContact O-CB 3.26Å; E392-T395 WeakPolarHBondContact O-CB 3.46Å; E392-T395 PolarHBondContact O-N 2.8Å; R393-T395 VanDerWaalsContact C-N 3.29Å; R393-T395 PolarHBondContact O-N 3.08Å; T395-R399 WeakPolarHBondContact O-CB 3.4Å; T395-R399 PolarHBondContact O-N 3.07Å; T395-R399 VanDerWaalsContact O-N 3.12Å
396R79.1Confident77.3Confident51 Ų5175.1 Ų75.119%0.19235%0.349CS..Hα-helixtrans-66.4-51.1168.4-141.1-176.5-56.1-100.81.2109.8E392 R393 L394 L398 R399 E400 P1606 Y1608E392-R396 PolarHBondContact O-N 3.45Å; E392-R396 VanDerWaalsContact O-N 3.09Å; R393-R396 WeakPolarHBondContact O-CA 3.34Å; R393-R396 WeakPolarHBondContact O-CB 3.49Å; R393-R396 PolarHBondContact O-N 2.92Å; L394-R396 VanDerWaalsContact C-N 3.27Å; L394-R396 PolarHBondContact O-N 3.17Å; R396-L398 VanDerWaalsContact C-N 3.33Å; R396-L398 PolarHBondContact O-N 3.32Å; R396-R399 PolarHBondContact O-N 3.04Å; R396-E400 VanDerWaalsContact CD-OE1 3.29Å; R396-E400 WeakPolarHBondContact CD-OE1 3.25Å; R396-E400 HydrophobicContact CG-CG 4.39Å; R396-E400 WeakPolarHBondContact CG-OE1 3.41Å; R396-E400 VanDerWaalsContact O-CB 3.29Å; R396-E400 WeakPolarHBondContact O-CB 3.42Å; R396-E400 WeakPolarHBondContact O-CG 3.48Å; R396-E400 PolarHBondContact O-N 3.4Å; R396-P1606 PolarHBondContact NH1-O 3.33Å; R396-Y1608 VanDerWaalsContact CA-CE1 3.49Å; R396-Y1608 HydrophobicContact CB-CD1 3.52Å; R396-Y1608 HydrophobicContact CB-CE1 3.18Å; R396-Y1608 HydrophobicContact CG-CD1 3.43Å; R396-Y1608 VanDerWaalsContact CG-CD1 3.43Å; R396-Y1608 HydrophobicContact CG-CE1 3.49Å; R396-Y1608 VanDerWaalsContact CG-CE1 3.49Å; R396-Y1608 HydrophobicContact CG-CG 4.08Å; R396-Y1608 VanDerWaalsContact NH1-CD2 3.31Å; R396-Y1608 PolarHBondContact NH2-OH 3.15Å
397E76.6Confident77Confident109 Ų10967.8 Ų67.851%0.50933%0.325SS..Hα-helixtrans-71.1-34.7-168.6-69.2169.9-167.200110.4R393 L394 S401R393-E397 PolarHBondContact O-N 2.99Å; R393-E397 VanDerWaalsContact O-N 3.13Å; L394-E397 PolarHBondContact O-N 2.96Å; E397-S401 WeakPolarHBondContact O-CB 3.48Å; E397-S401 PolarHBondContact O-N 3.27Å
398L76.9Confident76.8Confident92 Ų9271.5 Ų71.548%0.48234%0.336SS..Hα-helixtrans-62.2-57166.4-176.262.8000111.7L394 R396 E400 S401 E402L394-L398 WeakPolarHBondContact O-CB 3.32Å; L394-L398 PolarHBondContact O-N 3.03Å; R396-L398 VanDerWaalsContact C-N 3.33Å; R396-L398 PolarHBondContact O-N 3.32Å; L398-E400 PolarHBondContact O-N 2.81Å; L398-S401 CarbonylContact O-C 3.56Å; L398-S401 WeakPolarHBondContact O-CA 3.41Å; L398-S401 WeakPolarHBondContact O-CB 3.44Å; L398-S401 PolarHBondContact O-N 3.48Å; L398-E402 HydrophobicContact CD1-CG 4.28Å; L398-E402 HydrophobicContact CG-CG 4.5Å; L398-E402 WeakPolarHBondContact O-CG 3.49Å; L398-E402 PolarHBondContact O-N 2.82Å
399R79.5Confident76.8Confident72 Ų7272.3 Ų72.327%0.27234%0.337SS..Hα-helixtrans-59.7-40.8-178.1-179.5178.9-70.6-1751.1113.2T395 R396 E402 Q403 Y1608 Y1609T395-R399 WeakPolarHBondContact O-CB 3.4Å; T395-R399 PolarHBondContact O-N 3.07Å; T395-R399 VanDerWaalsContact O-N 3.12Å; R396-R399 PolarHBondContact O-N 3.04Å; R399-E402 PolarHBondContact O-N 3.02Å; R399-Q403 VanDerWaalsContact O-CB 3.31Å; R399-Q403 WeakPolarHBondContact O-CB 3.44Å; R399-Q403 PolarHBondContact O-N 3.05Å; R399-Y1608 VanDerWaalsContact CD-O 3.31Å; R399-Y1608 WeakPolarHBondContact CD-O 3.49Å; R399-Y1608 PolarHBondContact NH1-O 2.87Å; R399-Y1609 HydrophobicContact CG-CD1 4.36Å; R399-Y1609 HydrophobicContact CG-CE1 3.82Å; R399-Y1609 VanDerWaalsContact NH1-CE2 3.29Å
400E77.4Confident76.6Confident55 Ų5573.9 Ų73.926%0.25735%0.352SS..Hα-helixtrans-69.1-32.9173.3-73.9-175.8-157.400111.9R396 L398 R404R396-E400 VanDerWaalsContact CD-OE1 3.29Å; R396-E400 WeakPolarHBondContact CD-OE1 3.25Å; R396-E400 HydrophobicContact CG-CG 4.39Å; R396-E400 WeakPolarHBondContact CG-OE1 3.41Å; R396-E400 VanDerWaalsContact O-CB 3.29Å; R396-E400 WeakPolarHBondContact O-CB 3.42Å; R396-E400 WeakPolarHBondContact O-CG 3.48Å; R396-E400 PolarHBondContact O-N 3.4Å; L398-E400 PolarHBondContact O-N 2.81Å; E400-R404 WeakPolarHBondContact O-CB 3.34Å; E400-R404 WeakPolarHBondContact O-CD 3.25Å; E400-R404 WeakPolarHBondContact O-CG 3.38Å; E400-R404 PolarHBondContact O-N 3.43Å; E400-R404 IonicContact OE2-CZ 3.73Å; E400-R404 IonicContact OE2-NH1 2.8Å; E400-R404 IonicContact OE2-NH2 3.7Å; E400-R404 PolarHBondContact OE2-NH2 3.26Å
401S72.6Confident76.5Confident57 Ų5773.3 Ų73.340%0.39935%0.351SS..Hα-helixtrans-73.3-34.7174.8-172.70000112.3E397 L398 R405E397-S401 WeakPolarHBondContact O-CB 3.48Å; E397-S401 PolarHBondContact O-N 3.27Å; L398-S401 CarbonylContact O-C 3.56Å; L398-S401 WeakPolarHBondContact O-CA 3.41Å; L398-S401 WeakPolarHBondContact O-CB 3.44Å; L398-S401 PolarHBondContact O-N 3.48Å; S401-R405 WeakPolarHBondContact O-CB 3.19Å; S401-R405 PolarHBondContact O-N 3.04Å
402E76.1Confident76.6Confident93 Ų9373 Ų7344%0.43536%0.355SS..Hα-helixtrans-70.6-39.2173.8-72.1177.2146.200111.2L398 R399 R405 T406L398-E402 HydrophobicContact CD1-CG 4.28Å; L398-E402 HydrophobicContact CG-CG 4.5Å; L398-E402 WeakPolarHBondContact O-CG 3.49Å; L398-E402 PolarHBondContact O-N 2.82Å; R399-E402 PolarHBondContact O-N 3.02Å; E402-R405 CarbonylContact O-C 3.57Å; E402-R405 WeakPolarHBondContact O-CA 3.19Å; E402-R405 WeakPolarHBondContact O-CB 3.2Å; E402-R405 PolarHBondContact O-N 3.37Å; E402-R405 VanDerWaalsContact O-N 3.13Å; E402-T406 PolarHBondContact O-N 2.75Å; E402-T406 PolarHBondContact O-OG1 3.18Å
403Q75.8Confident76.8Confident33 Ų3374.8 Ų74.815%0.15437%0.368CS..Hα-helixtrans-63.9-42.3172.7-169.759.971.800112.1R399 R405 T406 D407 N1611 Q1612R399-Q403 VanDerWaalsContact O-CB 3.31Å; R399-Q403 WeakPolarHBondContact O-CB 3.44Å; R399-Q403 PolarHBondContact O-N 3.05Å; Q403-R405 VanDerWaalsContact C-N 3.26Å; Q403-R405 PolarHBondContact O-N 2.9Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.49Å; Q403-T406 PolarHBondContact NE2-OG1 3.47Å; Q403-T406 VanDerWaalsContact NE2-OG1 3.12Å; Q403-T406 PolarHBondContact O-N 3Å; Q403-T406 PolarHBondContact O-OG1 3.2Å; Q403-D407 PolarHBondContact NE2-OD1 3.41Å; Q403-D407 WeakPolarHBondContact O-CB 3.36Å; Q403-D407 PolarHBondContact O-N 2.96Å; Q403-N1611 VanDerWaalsContact CD-O 3.23Å; Q403-N1611 HydrophobicContact CG-CB 4.45Å; Q403-N1611 WeakPolarHBondContact CG-O 3.25Å; Q403-Q1612 VanDerWaalsContact NE2-CD 3.35Å
404R72.5Confident76.8Confident126 Ų12670.7 Ų70.748%0.47536%0.359SS..Hα-helixtrans-61.3-35.8171.4-73.5166.3-165.6126.813.4111.7E400 Q408E400-R404 WeakPolarHBondContact O-CB 3.34Å; E400-R404 WeakPolarHBondContact O-CD 3.25Å; E400-R404 WeakPolarHBondContact O-CG 3.38Å; E400-R404 PolarHBondContact O-N 3.43Å; E400-R404 IonicContact OE2-CZ 3.73Å; E400-R404 IonicContact OE2-NH1 2.8Å; E400-R404 IonicContact OE2-NH2 3.7Å; E400-R404 PolarHBondContact OE2-NH2 3.26Å; R404-Q408 VanDerWaalsContact O-CB 3.27Å; R404-Q408 WeakPolarHBondContact O-CB 3.41Å; R404-Q408 WeakPolarHBondContact O-CG 3.5Å; R404-Q408 PolarHBondContact O-N 3.12Å
405R73.5Confident76.9Confident101 Ų10173.2 Ų73.238%0.38137%0.373SS..Hα-helixtrans-67.1-48.3176-178.8-171.668.381.36111.7S401 E402 Q403 D407 Q408 E409S401-R405 WeakPolarHBondContact O-CB 3.19Å; S401-R405 PolarHBondContact O-N 3.04Å; E402-R405 CarbonylContact O-C 3.57Å; E402-R405 WeakPolarHBondContact O-CA 3.19Å; E402-R405 WeakPolarHBondContact O-CB 3.2Å; E402-R405 PolarHBondContact O-N 3.37Å; E402-R405 VanDerWaalsContact O-N 3.13Å; Q403-R405 VanDerWaalsContact C-N 3.26Å; Q403-R405 PolarHBondContact O-N 2.9Å; R405-D407 VanDerWaalsContact C-N 3.35Å; R405-Q408 PolarHBondContact O-N 2.94Å; R405-E409 WeakPolarHBondContact CD-OE1 3.39Å; R405-E409 HydrophobicContact CG-CG 4.43Å; R405-E409 WeakPolarHBondContact CG-OE1 3.24Å; R405-E409 IonicContact CZ-OE1 2.86Å; R405-E409 IonicContact CZ-OE2 3.5Å; R405-E409 IonicContact NE-OE1 2.83Å; R405-E409 IonicContact NH1-OE1 3.26Å; R405-E409 PolarHBondContact NH1-OE1 3.5Å; R405-E409 IonicContact NH1-OE2 2.69Å; R405-E409 PolarHBondContact NH1-OE2 2.97Å; R405-E409 WeakPolarHBondContact O-CB 3.4Å; R405-E409 VanDerWaalsContact O-CG 3.32Å; R405-E409 WeakPolarHBondContact O-CG 3.26Å; R405-E409 PolarHBondContact O-N 2.84Å
406T74.5Confident77Confident51 Ų5177.2 Ų77.231%0.31339%0.389SS..Hα-helixtrans-65.7-38.6178.449.40000111.8E402 Q403 E409 S410E402-T406 PolarHBondContact O-N 2.75Å; E402-T406 PolarHBondContact O-OG1 3.18Å; Q403-T406 WeakPolarHBondContact CA-OG1 3.49Å; Q403-T406 PolarHBondContact NE2-OG1 3.47Å; Q403-T406 VanDerWaalsContact NE2-OG1 3.12Å; Q403-T406 PolarHBondContact O-N 3Å; Q403-T406 PolarHBondContact O-OG1 3.2Å; T406-E409 PolarHBondContact O-N 3.48Å; T406-S410 WeakPolarHBondContact O-CB 3.21Å; T406-S410 PolarHBondContact O-N 3.34Å
407D76.1Confident77.1Confident44 Ų4480.7 Ų80.724%0.23541%0.407CS..Hα-helixtrans-64-43174.2-65.2-4000110.5Q403 R405 S410 L411 Q1612Q403-D407 PolarHBondContact NE2-OD1 3.41Å; Q403-D407 WeakPolarHBondContact O-CB 3.36Å; Q403-D407 PolarHBondContact O-N 2.96Å; R405-D407 VanDerWaalsContact C-N 3.35Å; D407-S410 PolarHBondContact O-N 2.96Å; D407-S410 PolarHBondContact O-OG 3.48Å; D407-L411 PolarHBondContact O-N 2.85Å; D407-Q1612 PolarHBondContact OD1-NE2 3.44Å
408Q73.8Confident77.2Confident116 Ų11682.1 Ų82.154%0.54241%0.408SS..Hα-helixtrans-64.2-38.2172.9-79.9178-9.100113.6R404 R405 L411 A412R404-Q408 VanDerWaalsContact O-CB 3.27Å; R404-Q408 WeakPolarHBondContact O-CB 3.41Å; R404-Q408 WeakPolarHBondContact O-CG 3.5Å; R404-Q408 PolarHBondContact O-N 3.12Å; R405-Q408 PolarHBondContact O-N 2.94Å; Q408-L411 PolarHBondContact O-N 2.89Å; Q408-A412 WeakPolarHBondContact O-CB 3.31Å; Q408-A412 PolarHBondContact O-N 3.05Å
409E79.4Confident77.3Confident89 Ų8985.1 Ų85.142%0.41641%0.414SS..Hα-helixtrans-70.5-36177.3-76.2166.3-172.800111.6R405 T406 A412 T413R405-E409 WeakPolarHBondContact CD-OE1 3.39Å; R405-E409 HydrophobicContact CG-CG 4.43Å; R405-E409 WeakPolarHBondContact CG-OE1 3.24Å; R405-E409 IonicContact CZ-OE1 2.86Å; R405-E409 IonicContact CZ-OE2 3.5Å; R405-E409 IonicContact NE-OE1 2.83Å; R405-E409 IonicContact NH1-OE1 3.26Å; R405-E409 PolarHBondContact NH1-OE1 3.5Å; R405-E409 IonicContact NH1-OE2 2.69Å; R405-E409 PolarHBondContact NH1-OE2 2.97Å; R405-E409 WeakPolarHBondContact O-CB 3.4Å; R405-E409 VanDerWaalsContact O-CG 3.32Å; R405-E409 WeakPolarHBondContact O-CG 3.26Å; R405-E409 PolarHBondContact O-N 2.84Å; T406-E409 PolarHBondContact O-N 3.48Å; E409-A412 PolarHBondContact O-N 3.38Å; E409-T413 WeakPolarHBondContact O-CB 3.5Å; E409-T413 PolarHBondContact O-N 2.87Å; E409-T413 PolarHBondContact O-OG1 3.15Å
410S76.4Confident77.4Confident76 Ų7685.5 Ų85.553%0.53142%0.421SS..Hα-helixtrans-64.3-40.317181.80000111.7T406 D407 S414T406-S410 WeakPolarHBondContact O-CB 3.21Å; T406-S410 PolarHBondContact O-N 3.34Å; D407-S410 PolarHBondContact O-N 2.96Å; D407-S410 PolarHBondContact O-OG 3.48Å; S410-S414 VanDerWaalsContact O-CB 3.26Å; S410-S414 WeakPolarHBondContact O-CB 3.36Å; S410-S414 PolarHBondContact O-N 2.88Å
411L79.9Confident77.6Confident91 Ų9186.2 Ų86.248%0.47643%0.429SS..Hα-helixtrans-67.5-42.9175.5179.259.9000111.6D407 Q408 S414 L415D407-L411 PolarHBondContact O-N 2.85Å; Q408-L411 PolarHBondContact O-N 2.89Å; L411-S414 PolarHBondContact O-N 3.35Å; L411-L415 HydrophobicContact CD1-CD1 4.18Å; L411-L415 HydrophobicContact CD1-CG 4.23Å; L411-L415 HydrophobicContact CG-CD1 4.06Å; L411-L415 WeakPolarHBondContact O-CB 3.48Å; L411-L415 VanDerWaalsContact O-CG 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 3.12Å
412A76.8Confident78Confident36 Ų3685.9 Ų85.930%0.29843%0.43SS..Hα-helixtrans-59.4-50.6175.200000110.9Q408 E409 S414 L415 E416Q408-A412 WeakPolarHBondContact O-CB 3.31Å; Q408-A412 PolarHBondContact O-N 3.05Å; E409-A412 PolarHBondContact O-N 3.38Å; A412-S414 VanDerWaalsContact C-N 3.28Å; A412-S414 PolarHBondContact O-N 2.83Å; A412-L415 CarbonylContact O-C 3.57Å; A412-L415 PolarHBondContact O-N 2.82Å; A412-E416 WeakPolarHBondContact O-CG 3.48Å; A412-E416 PolarHBondContact O-N 3.23Å
413T80.3Confident78.1Confident68 Ų6885.2 Ų85.242%0.41743%0.427SS..Hα-helixtrans-57.4-41.4175.5-520000111.5E409 L415 E416 Q417E409-T413 WeakPolarHBondContact O-CB 3.5Å; E409-T413 PolarHBondContact O-N 2.87Å; E409-T413 PolarHBondContact O-OG1 3.15Å; T413-L415 VanDerWaalsContact C-N 3.34Å; T413-L415 PolarHBondContact O-N 3.31Å; T413-E416 PolarHBondContact O-N 2.86Å; T413-Q417 WeakPolarHBondContact O-CB 3.38Å; T413-Q417 VanDerWaalsContact O-CG 3.31Å; T413-Q417 WeakPolarHBondContact O-CG 3.3Å; T413-Q417 PolarHBondContact O-N 3.12Å
414S79.1Confident78.5Confident45 Ų4591.7 Ų91.732%0.31545%0.45SS..Hα-helixtrans-68.6-29177.2-172.40000113.5S410 L411 A412 R418S410-S414 VanDerWaalsContact O-CB 3.26Å; S410-S414 WeakPolarHBondContact O-CB 3.36Å; S410-S414 PolarHBondContact O-N 2.88Å; L411-S414 PolarHBondContact O-N 3.35Å; A412-S414 VanDerWaalsContact C-N 3.28Å; A412-S414 PolarHBondContact O-N 2.83Å; S414-R418 WeakPolarHBondContact O-CB 3.4Å; S414-R418 WeakPolarHBondContact O-CG 3.5Å; S414-R418 PolarHBondContact O-N 3.34Å; S414-R418 PolarHBondContact O-NE 2.98Å; S414-R418 PolarHBondContact OG-NH2 3.32Å
415L78.5Confident78.9Confident93 Ų9391.6 Ų91.649%0.48746%0.455SS..Hα-helixtrans-79.6-40.4174.4-72.5170.3000111.5L411 A412 T413 R418 Y419L411-L415 HydrophobicContact CD1-CD1 4.18Å; L411-L415 HydrophobicContact CD1-CG 4.23Å; L411-L415 HydrophobicContact CG-CD1 4.06Å; L411-L415 WeakPolarHBondContact O-CB 3.48Å; L411-L415 VanDerWaalsContact O-CG 3.3Å; L411-L415 WeakPolarHBondContact O-CG 3.27Å; L411-L415 PolarHBondContact O-N 3.12Å; A412-L415 CarbonylContact O-C 3.57Å; A412-L415 PolarHBondContact O-N 2.82Å; T413-L415 VanDerWaalsContact C-N 3.34Å; T413-L415 PolarHBondContact O-N 3.31Å; L415-R418 PolarHBondContact O-N 2.82Å; L415-Y419 WeakPolarHBondContact O-CB 3.35Å; L415-Y419 PolarHBondContact O-N 2.8Å
416E81.7Confident79.3Confident124 Ų12492.2 Ų92.258%0.57947%0.465SS*.Hα-helixtrans-61.7-45.1173-73.7175.3-175.900111.6A412 T413 R418 Y419 L420A412-E416 WeakPolarHBondContact O-CG 3.48Å; A412-E416 PolarHBondContact O-N 3.23Å; T413-E416 PolarHBondContact O-N 2.86Å; E416-R418 VanDerWaalsContact C-N 3.35Å; E416-R418 PolarHBondContact O-N 3.43Å; E416-Y419 PolarHBondContact O-N 3Å; E416-L420 WeakPolarHBondContact O-CB 3.35Å; E416-L420 WeakPolarHBondContact O-CG 3.37Å; E416-L420 PolarHBondContact O-N 2.93Å
417Q81.4Confident79.8Confident124 Ų12494.2 Ų94.258%0.57947%0.474SS*.Hα-helixtrans-61.6-41.5173.8-74.1-179.49.800112T413 L420 V421T413-Q417 WeakPolarHBondContact O-CB 3.38Å; T413-Q417 VanDerWaalsContact O-CG 3.31Å; T413-Q417 WeakPolarHBondContact O-CG 3.3Å; T413-Q417 PolarHBondContact O-N 3.12Å; Q417-L420 PolarHBondContact O-N 3.47Å; Q417-V421 WeakPolarHBondContact O-CG2 3.43Å; Q417-V421 PolarHBondContact O-N 2.94Å
418R79.1Confident80.1Confident139 Ų13996.3 Ų96.353%0.52549%0.488SS..Hα-helixtrans-66.9-37.7175.3-83.4179-84.1179.1-10.2112.6S414 L415 E416 V421 A422S414-R418 WeakPolarHBondContact O-CB 3.4Å; S414-R418 WeakPolarHBondContact O-CG 3.5Å; S414-R418 PolarHBondContact O-N 3.34Å; S414-R418 PolarHBondContact O-NE 2.98Å; S414-R418 PolarHBondContact OG-NH2 3.32Å; L415-R418 PolarHBondContact O-N 2.82Å; E416-R418 VanDerWaalsContact C-N 3.35Å; E416-R418 PolarHBondContact O-N 3.43Å; R418-V421 PolarHBondContact O-N 3.42Å; R418-A422 VanDerWaalsContact O-CB 3.31Å; R418-A422 WeakPolarHBondContact O-CB 3.27Å; R418-A422 PolarHBondContact O-N 2.89Å
419Y79.2Confident80.4Confident155 Ų15593 Ų9361%0.60848%0.481SS*.Hα-helixtrans-64.8-45.9173.9-178.3-94.1000111.1L415 E416 V421 A422 Q423L415-Y419 WeakPolarHBondContact O-CB 3.35Å; L415-Y419 PolarHBondContact O-N 2.8Å; E416-Y419 PolarHBondContact O-N 3Å; Y419-V421 VanDerWaalsContact C-N 3.34Å; Y419-V421 PolarHBondContact O-N 2.76Å; Y419-A422 PolarHBondContact O-N 2.96Å; Y419-Q423 VanDerWaalsContact O-CB 3.25Å; Y419-Q423 WeakPolarHBondContact O-CB 3.47Å; Y419-Q423 PolarHBondContact O-N 3.45Å
420L82.1Confident80.7Confident80 Ų8092.8 Ų92.842%0.41948%0.48SS..Hα-helixtrans-63.2-35.7175.9-76.8164.9000112.9E416 Q417 R424E416-L420 WeakPolarHBondContact O-CB 3.35Å; E416-L420 WeakPolarHBondContact O-CG 3.37Å; E416-L420 PolarHBondContact O-N 2.93Å; Q417-L420 PolarHBondContact O-N 3.47Å; L420-R424 WeakPolarHBondContact O-CB 3.43Å; L420-R424 WeakPolarHBondContact O-CD 3.23Å; L420-R424 WeakPolarHBondContact O-CG 3.37Å; L420-R424 PolarHBondContact O-N 3.22Å; L420-R424 VanDerWaalsContact O-N 3.08Å
421V81.7Confident81Confident69 Ų6993.8 Ų93.842%0.41848%0.479SS..Hα-helixtrans-68.5-49.4172170.20000110.6Q417 R418 Y419 Q423 R424 E425Q417-V421 WeakPolarHBondContact O-CG2 3.43Å; Q417-V421 PolarHBondContact O-N 2.94Å; R418-V421 PolarHBondContact O-N 3.42Å; Y419-V421 VanDerWaalsContact C-N 3.34Å; Y419-V421 PolarHBondContact O-N 2.76Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 3.3Å; V421-R424 WeakPolarHBondContact O-CB 3.38Å; V421-R424 PolarHBondContact O-N 3.42Å; V421-R424 VanDerWaalsContact O-N 3.1Å; V421-E425 HydrophobicContact CG1-CG 4.44Å; V421-E425 WeakPolarHBondContact O-CG 3.48Å; V421-E425 PolarHBondContact O-N 3.08Å
422A80.5Confident81.1Confident51 Ų5195.2 Ų95.242%0.42149%0.485SS..Hα-helixtrans-60.8-35.6177.900000112.6R418 Y419 E425 L426R418-A422 VanDerWaalsContact O-CB 3.31Å; R418-A422 WeakPolarHBondContact O-CB 3.27Å; R418-A422 PolarHBondContact O-N 2.89Å; Y419-A422 PolarHBondContact O-N 2.96Å; A422-E425 PolarHBondContact O-N 3.34Å; A422-L426 WeakPolarHBondContact O-CB 3.34Å; A422-L426 PolarHBondContact O-N 3.42Å
423Q78.5Confident81.4Confident79 Ų7996.1 Ų96.137%0.36949%0.487SS..Hα-helixtrans-70.3-36.4175.4-167.6-179.325.500111.7Y419 V421 N427Y419-Q423 VanDerWaalsContact O-CB 3.25Å; Y419-Q423 WeakPolarHBondContact O-CB 3.47Å; Y419-Q423 PolarHBondContact O-N 3.45Å; V421-Q423 VanDerWaalsContact C-N 3.28Å; V421-Q423 PolarHBondContact O-N 3.3Å; Q423-N427 WeakPolarHBondContact O-CB 3.47Å; Q423-N427 PolarHBondContact O-N 3.06Å; Q423-N427 PolarHBondContact O-ND2 3.25Å; Q423-N427 PolarHBondContact O-OD1 3.11Å
424R82.7Confident81.6Confident168 Ų16896.2 Ų96.263%0.63449%0.485SS*.Hα-helixtrans-66.3-44.6171.2-73.1165.6-174.4176.33.2111.4L420 V421 N427 T428L420-R424 WeakPolarHBondContact O-CB 3.43Å; L420-R424 WeakPolarHBondContact O-CD 3.23Å; L420-R424 WeakPolarHBondContact O-CG 3.37Å; L420-R424 PolarHBondContact O-N 3.22Å; L420-R424 VanDerWaalsContact O-N 3.08Å; V421-R424 WeakPolarHBondContact O-CB 3.38Å; V421-R424 PolarHBondContact O-N 3.42Å; V421-R424 VanDerWaalsContact O-N 3.1Å; R424-N427 PolarHBondContact O-N 3.03Å; R424-T428 WeakPolarHBondContact O-CG2 3.36Å; R424-T428 PolarHBondContact O-N 3.35Å; R424-T428 PolarHBondContact O-OG1 2.88Å
425E81.9Confident82Confident125 Ų125100.6 Ų100.658%0.58450%0.498SS*.Hα-helixtrans-61.8-47176.3-71.9-179.6167.500111V421 A422 N427 T428 A429V421-E425 HydrophobicContact CG1-CG 4.44Å; V421-E425 WeakPolarHBondContact O-CG 3.48Å; V421-E425 PolarHBondContact O-N 3.08Å; A422-E425 PolarHBondContact O-N 3.34Å; E425-N427 PolarHBondContact O-N 3.3Å; E425-T428 WeakPolarHBondContact CA-OG1 3.16Å; E425-T428 PolarHBondContact O-N 2.79Å; E425-T428 VanDerWaalsContact O-N 3.15Å; E425-T428 PolarHBondContact O-OG1 3.01Å; E425-A429 WeakPolarHBondContact O-CB 3.44Å; E425-A429 PolarHBondContact O-N 2.59Å
426L82.5Confident82.3Confident114 Ų114101 Ų10160%0.59750%0.5SS*.Hα-helixtrans-56.8-46.5173.5179.362.5000111.9A422 T428 A429 Q430A422-L426 WeakPolarHBondContact O-CB 3.34Å; A422-L426 PolarHBondContact O-N 3.42Å; L426-T428 PolarHBondContact O-N 3.04Å; L426-A429 PolarHBondContact O-N 3.28Å; L426-Q430 WeakPolarHBondContact O-CB 3.37Å; L426-Q430 PolarHBondContact O-N 3.22Å
427N83.5Confident82.4Confident93 Ų93101.5 Ų101.550%0.49750%0.497SS..Hα-helixtrans-62.8-40.1176.3-71.8-8000111.7Q423 R424 E425 A429 Q430 D431Q423-N427 WeakPolarHBondContact O-CB 3.47Å; Q423-N427 PolarHBondContact O-N 3.06Å; Q423-N427 PolarHBondContact O-ND2 3.25Å; Q423-N427 PolarHBondContact O-OD1 3.11Å; R424-N427 PolarHBondContact O-N 3.03Å; E425-N427 PolarHBondContact O-N 3.3Å; N427-A429 VanDerWaalsContact C-N 3.35Å; N427-Q430 PolarHBondContact O-N 3.12Å; N427-D431 WeakPolarHBondContact O-CB 3.5Å; N427-D431 PolarHBondContact O-N 3.06Å
428T82.4Confident82.6Confident88 Ų8898.6 Ų98.654%0.5449%0.494SS..Hα-helixtrans-69.4-30.5175.357.20000113.4R424 E425 L426 M432R424-T428 WeakPolarHBondContact O-CG2 3.36Å; R424-T428 PolarHBondContact O-N 3.35Å; R424-T428 PolarHBondContact O-OG1 2.88Å; E425-T428 WeakPolarHBondContact CA-OG1 3.16Å; E425-T428 PolarHBondContact O-N 2.79Å; E425-T428 VanDerWaalsContact O-N 3.15Å; E425-T428 PolarHBondContact O-OG1 3.01Å; L426-T428 PolarHBondContact O-N 3.04Å; T428-M432 WeakPolarHBondContact O-CB 3.41Å; T428-M432 PolarHBondContact O-N 3.3Å; T428-M432 VanDerWaalsContact O-N 3.12Å
429A81.1Confident82.8Confident47 Ų4797.6 Ų97.639%0.38850%0.495SS..Hα-helixtrans-73.1-38.1173.400000112E425 L426 N427 M432 T433E425-A429 WeakPolarHBondContact O-CB 3.44Å; E425-A429 PolarHBondContact O-N 2.59Å; L426-A429 PolarHBondContact O-N 3.28Å; N427-A429 VanDerWaalsContact C-N 3.35Å; A429-M432 PolarHBondContact O-N 3.09Å; A429-T433 WeakPolarHBondContact O-CB 3.43Å; A429-T433 PolarHBondContact O-N 2.91Å; A429-T433 PolarHBondContact O-OG1 3.46Å
430Q84.6Confident83Confident84 Ų8496.1 Ų96.139%0.39350%0.497SS..Hα-helixtrans-64.3-48.6170.9-178.667.124.200110.8L426 N427 M432 T433 D434 R437L426-Q430 WeakPolarHBondContact O-CB 3.37Å; L426-Q430 PolarHBondContact O-N 3.22Å; N427-Q430 PolarHBondContact O-N 3.12Å; Q430-M432 PolarHBondContact O-N 2.88Å; Q430-M432 VanDerWaalsContact O-N 3.14Å; Q430-T433 CarbonylContact O-C 3.54Å; Q430-T433 WeakPolarHBondContact O-CA 3.29Å; Q430-T433 PolarHBondContact O-N 2.95Å; Q430-D434 PolarHBondContact NE2-OD1 2.74Å; Q430-D434 PolarHBondContact NE2-OD2 3.26Å; Q430-D434 PolarHBondContact O-N 3.41Å; Q430-R437 VanDerWaalsContact NE2-NH1 3.11Å
431D83.5Confident83.1Confident96 Ų9694.8 Ų94.851%0.51350%0.498SS..Hα-helixtrans-52.9-34.7172.8-98.610.4000112.7N427 K435N427-D431 WeakPolarHBondContact O-CB 3.5Å; N427-D431 PolarHBondContact O-N 3.06Å; D431-K435 VanDerWaalsContact O-CD 3.24Å; D431-K435 WeakPolarHBondContact O-CD 3.32Å; D431-K435 VanDerWaalsContact O-CG 3.24Å; D431-K435 WeakPolarHBondContact O-CG 3.44Å; D431-K435 PolarHBondContact O-N 3.44Å
432M82.1Confident83.3Confident121 Ų12197.7 Ų97.760%0.59651%0.505SS*.Hα-helixtrans-78.5-38.8176.5-169.1178.8-60.200111.5T428 A429 Q430 K435 L436T428-M432 WeakPolarHBondContact O-CB 3.41Å; T428-M432 PolarHBondContact O-N 3.3Å; T428-M432 VanDerWaalsContact O-N 3.12Å; A429-M432 PolarHBondContact O-N 3.09Å; Q430-M432 PolarHBondContact O-N 2.88Å; Q430-M432 VanDerWaalsContact O-N 3.14Å; M432-K435 PolarHBondContact O-N 2.93Å; M432-L436 HydrophobicContact CG-CD1 4.39Å; M432-L436 VanDerWaalsContact O-CG 3.32Å; M432-L436 WeakPolarHBondContact O-CG 3.4Å; M432-L436 PolarHBondContact O-N 3.14Å
433T83.6Confident83.5Confident56 Ų56100.2 Ų100.234%0.34451%0.506SS..Hα-helixtrans-66.7-38.7177.1-56.50000111A429 Q430 L436 R437A429-T433 WeakPolarHBondContact O-CB 3.43Å; A429-T433 PolarHBondContact O-N 2.91Å; A429-T433 PolarHBondContact O-OG1 3.46Å; Q430-T433 CarbonylContact O-C 3.54Å; Q430-T433 WeakPolarHBondContact O-CA 3.29Å; Q430-T433 PolarHBondContact O-N 2.95Å; T433-L436 CarbonylContact O-C 3.6Å; T433-L436 PolarHBondContact O-N 3.39Å; T433-R437 WeakPolarHBondContact O-CG 3.35Å; T433-R437 PolarHBondContact O-N 3.24Å
434D84.6Confident83.8Confident69 Ų6999.7 Ų99.737%0.36951%0.511SS..Hα-helixtrans-71.9-32.6176.2-72.2-36000112.4Q430 R437 A438Q430-D434 PolarHBondContact NE2-OD1 2.74Å; Q430-D434 PolarHBondContact NE2-OD2 3.26Å; Q430-D434 PolarHBondContact O-N 3.41Å; D434-R437 PolarHBondContact O-N 2.78Å; D434-R437 WeakPolarHBondContact OD1-CD 3.5Å; D434-R437 IonicContact OD1-CZ 3.77Å; D434-R437 IonicContact OD1-NE 3.31Å; D434-R437 IonicContact OD1-NH1 2.69Å; D434-R437 PolarHBondContact OD1-NH1 3.2Å; D434-A438 WeakPolarHBondContact O-CB 3.31Å; D434-A438 PolarHBondContact O-N 3.31Å
435K86.5Confident83.9Confident138 Ų13895.5 Ų95.560%0.651%0.505SS*.Hα-helixtrans-63.3-43166.9-73.7162.9-168.7144.70111.8D431 M432 A438 E439D431-K435 VanDerWaalsContact O-CD 3.24Å; D431-K435 WeakPolarHBondContact O-CD 3.32Å; D431-K435 VanDerWaalsContact O-CG 3.24Å; D431-K435 WeakPolarHBondContact O-CG 3.44Å; D431-K435 PolarHBondContact O-N 3.44Å; M432-K435 PolarHBondContact O-N 2.93Å; K435-A438 PolarHBondContact O-N 3.02Å; K435-E439 PolarHBondContact O-N 3.27Å
436L84.3Confident83.9Confident101 Ų10193.5 Ų93.553%0.52950%0.495SS..Hα-helixtrans-68.1-37.2176.5-71.1169.3000112.2M432 T433 E439 L440M432-L436 HydrophobicContact CG-CD1 4.39Å; M432-L436 VanDerWaalsContact O-CG 3.32Å; M432-L436 WeakPolarHBondContact O-CG 3.4Å; M432-L436 PolarHBondContact O-N 3.14Å; T433-L436 CarbonylContact O-C 3.6Å; T433-L436 PolarHBondContact O-N 3.39Å; L436-E439 PolarHBondContact O-N 3.44Å; L436-L440 WeakPolarHBondContact O-CB 3.21Å; L436-L440 PolarHBondContact O-N 2.87Å
437R84.9Confident84Confident135 Ų13593 Ų9351%0.50949%0.493SS..Hα-helixtrans-61.3-44.2170.3-75.1176.2-177.6120.13.4111.1Q430 T433 D434 L440 A441Q430-R437 VanDerWaalsContact NE2-NH1 3.11Å; T433-R437 WeakPolarHBondContact O-CG 3.35Å; T433-R437 PolarHBondContact O-N 3.24Å; D434-R437 PolarHBondContact O-N 2.78Å; D434-R437 WeakPolarHBondContact OD1-CD 3.5Å; D434-R437 IonicContact OD1-CZ 3.77Å; D434-R437 IonicContact OD1-NE 3.31Å; D434-R437 IonicContact OD1-NH1 2.69Å; D434-R437 PolarHBondContact OD1-NH1 3.2Å; R437-L440 PolarHBondContact O-N 3.39Å; R437-A441 VanDerWaalsContact O-CB 3.24Å; R437-A441 WeakPolarHBondContact O-CB 3.26Å; R437-A441 PolarHBondContact O-N 2.83Å
438A85Confident84.1Confident62 Ų6294.9 Ų94.951%0.51250%0.496SS..Hα-helixtrans-65.8-42.1177.900000112.3D434 K435 A441 F442D434-A438 WeakPolarHBondContact O-CB 3.31Å; D434-A438 PolarHBondContact O-N 3.31Å; K435-A438 PolarHBondContact O-N 3.02Å; A438-A441 PolarHBondContact O-N 3.44Å; A438-F442 WeakPolarHBondContact O-CB 3.38Å; A438-F442 PolarHBondContact O-N 2.86Å
439E84.5Confident84Confident118 Ų11896 Ų9655%0.55150%0.495SS*.Hα-helixtrans-67.4-40.6175.1-173.2167.9-167.100111.8K435 L436 F442 K443K435-E439 PolarHBondContact O-N 3.27Å; L436-E439 PolarHBondContact O-N 3.44Å; E439-F442 PolarHBondContact O-N 3.49Å; E439-K443 HydrophobicContact CG-CG 4.5Å; E439-K443 WeakPolarHBondContact O-CB 3.05Å; E439-K443 VanDerWaalsContact O-CG 3.23Å; E439-K443 WeakPolarHBondContact O-CG 3.15Å; E439-K443 PolarHBondContact O-N 3.24Å
440L83Confident84.1Confident125 Ų12598.6 Ų98.665%0.65450%0.499SS*.Hα-helixtrans-65.6-40.4175.2-168.8155.3000111.6L436 R437 K443 S444L436-L440 WeakPolarHBondContact O-CB 3.21Å; L436-L440 PolarHBondContact O-N 2.87Å; R437-L440 PolarHBondContact O-N 3.39Å; L440-K443 CarbonylContact O-C 3.44Å; L440-K443 PolarHBondContact O-N 3.25Å; L440-S444 WeakPolarHBondContact O-CB 3.28Å; L440-S444 PolarHBondContact O-N 3.03Å
441A84.4Confident84Confident52 Ų5298.4 Ų98.443%0.4350%0.498SS..Hα-helixtrans-64.4-41173.800000111.9R437 A438 S444 T445R437-A441 VanDerWaalsContact O-CB 3.24Å; R437-A441 WeakPolarHBondContact O-CB 3.26Å; R437-A441 PolarHBondContact O-N 2.83Å; A438-A441 PolarHBondContact O-N 3.44Å; A441-S444 PolarHBondContact O-N 3.45Å; A441-T445 WeakPolarHBondContact O-CB 3.44Å; A441-T445 PolarHBondContact O-N 3.32Å; A441-T445 PolarHBondContact O-OG1 3.01Å
442F84.4Confident84Confident129 Ų12999.1 Ų99.157%0.56650%0.499SS*.Hα-helixtrans-62.4-42.8172179.1-98.8000111.5A438 E439 T445 Q446A438-F442 WeakPolarHBondContact O-CB 3.38Å; A438-F442 PolarHBondContact O-N 2.86Å; E439-F442 PolarHBondContact O-N 3.49Å; F442-T445 PolarHBondContact O-N 2.89Å; F442-Q446 VanDerWaalsContact O-CB 3.31Å; F442-Q446 WeakPolarHBondContact O-CB 3.25Å; F442-Q446 PolarHBondContact O-N 3Å
443K86.3Confident84.1Confident105 Ų10598.7 Ų98.746%0.45749%0.494SS..Hα-helixtrans-65.8-40.2176.2-73-74168.4-168.70112.9E439 L440 Q446 L447E439-K443 HydrophobicContact CG-CG 4.5Å; E439-K443 WeakPolarHBondContact O-CB 3.05Å; E439-K443 VanDerWaalsContact O-CG 3.23Å; E439-K443 WeakPolarHBondContact O-CG 3.15Å; E439-K443 PolarHBondContact O-N 3.24Å; L440-K443 CarbonylContact O-C 3.44Å; L440-K443 PolarHBondContact O-N 3.25Å; K443-Q446 PolarHBondContact O-N 3.27Å; K443-L447 WeakPolarHBondContact O-CB 3.25Å; K443-L447 PolarHBondContact O-N 3.41Å
444S83.4Confident84.2Confident68 Ų68100.3 Ų100.348%0.47650%0.503SS..Hα-helixtrans-64.3-42.3173.6179.10000111.4L440 A441 Q446 L447 K448L440-S444 WeakPolarHBondContact O-CB 3.28Å; L440-S444 PolarHBondContact O-N 3.03Å; A441-S444 PolarHBondContact O-N 3.45Å; S444-Q446 PolarHBondContact O-N 3.48Å; S444-L447 WeakPolarHBondContact O-CB 3.48Å; S444-L447 PolarHBondContact O-N 2.92Å; S444-K448 WeakPolarHBondContact O-CB 3.32Å; S444-K448 PolarHBondContact O-N 3.09Å
445T84.7Confident84.3Confident80 Ų80103 Ų10349%0.49151%0.508SS..Hα-helixtrans-64.3-41.7174.5-51.60000111.4A441 F442 K448 Q449A441-T445 WeakPolarHBondContact O-CB 3.44Å; A441-T445 PolarHBondContact O-N 3.32Å; A441-T445 PolarHBondContact O-OG1 3.01Å; F442-T445 PolarHBondContact O-N 2.89Å; T445-K448 PolarHBondContact O-N 3.12Å; T445-Q449 WeakPolarHBondContact O-CG 3.24Å; T445-Q449 PolarHBondContact O-N 3.44Å
446Q83.8Confident84.1Confident82 Ų8299.6 Ų99.638%0.38350%0.499SS..Hα-helixtrans-63.1-41.4173.7171.8164.382.500111.9F442 K443 S444 Q450F442-Q446 VanDerWaalsContact O-CB 3.31Å; F442-Q446 WeakPolarHBondContact O-CB 3.25Å; F442-Q446 PolarHBondContact O-N 3Å; K443-Q446 PolarHBondContact O-N 3.27Å; S444-Q446 PolarHBondContact O-N 3.48Å; Q446-Q450 WeakPolarHBondContact O-CG 3.29Å; Q446-Q450 PolarHBondContact O-N 3.32Å
447L83.7Confident84.1Confident104 Ų104100.3 Ų100.355%0.54550%0.503SS..Hα-helixtrans-61.6-52174.7-169.185.8000110.5K443 S444 Q449 Q450 E451K443-L447 WeakPolarHBondContact O-CB 3.25Å; K443-L447 PolarHBondContact O-N 3.41Å; S444-L447 WeakPolarHBondContact O-CB 3.48Å; S444-L447 PolarHBondContact O-N 2.92Å; L447-Q449 VanDerWaalsContact C-N 3.28Å; L447-Q449 PolarHBondContact O-N 2.94Å; L447-Q450 CarbonylContact O-C 3.51Å; L447-Q450 WeakPolarHBondContact O-CA 2.82Å; L447-Q450 WeakPolarHBondContact O-CB 3.29Å; L447-Q450 PolarHBondContact O-N 2.97Å; L447-E451 WeakPolarHBondContact CD2-OE1 3.11Å; L447-E451 PolarHBondContact O-N 3.21Å
448K84.9Confident84Confident133 Ų13398 Ų9858%0.57850%0.498SS*.Hα-helixtrans-59.5-35.9-179.4-162.7169.1-173.6172.50112.6S444 T445 Q450 E452S444-K448 WeakPolarHBondContact O-CB 3.32Å; S444-K448 PolarHBondContact O-N 3.09Å; T445-K448 PolarHBondContact O-N 3.12Å; K448-Q450 VanDerWaalsContact C-N 3.34Å; K448-E452 VanDerWaalsContact O-CB 3.26Å; K448-E452 WeakPolarHBondContact O-CB 3.17Å; K448-E452 PolarHBondContact O-N 3.21Å
449Q81.2Confident84Confident110 Ų110100 Ų10051%0.51450%0.499SS..Hα-helixtrans-68.7-25.8171.2-76.3-177.23.100114.2T445 L447 K453T445-Q449 WeakPolarHBondContact O-CG 3.24Å; T445-Q449 PolarHBondContact O-N 3.44Å; L447-Q449 VanDerWaalsContact C-N 3.28Å; L447-Q449 PolarHBondContact O-N 2.94Å; Q449-K453 WeakPolarHBondContact O-CD 3.39Å; Q449-K453 WeakPolarHBondContact O-CE 3.1Å; Q449-K453 VanDerWaalsContact O-CG 3.28Å; Q449-K453 WeakPolarHBondContact O-CG 3.34Å; Q449-K453 PolarHBondContact O-N 3.44Å
450Q82.8Confident84Confident102 Ų102100.4 Ų100.448%0.47750%0.499SS..Hα-helixtrans-82.7-41.1172.5-59.5-71.748.700110.6Q446 L447 K448 E452 K453 V454Q446-Q450 WeakPolarHBondContact O-CG 3.29Å; Q446-Q450 PolarHBondContact O-N 3.32Å; L447-Q450 CarbonylContact O-C 3.51Å; L447-Q450 WeakPolarHBondContact O-CA 2.82Å; L447-Q450 WeakPolarHBondContact O-CB 3.29Å; L447-Q450 PolarHBondContact O-N 2.97Å; K448-Q450 VanDerWaalsContact C-N 3.34Å; Q450-E452 VanDerWaalsContact C-N 3.28Å; Q450-E452 PolarHBondContact O-N 3.45Å; Q450-K453 WeakPolarHBondContact O-CB 3.2Å; Q450-K453 PolarHBondContact O-N 2.87Å; Q450-V454 WeakPolarHBondContact O-CG2 3.25Å; Q450-V454 PolarHBondContact O-N 2.89Å
451E83.7Confident83.9Confident80 Ų8098.2 Ų98.237%0.37449%0.487SS..Hα-helixtrans-57.1-40.1171.1-68.8171.9-175.500112.5L447 V454 R455L447-E451 WeakPolarHBondContact CD2-OE1 3.11Å; L447-E451 PolarHBondContact O-N 3.21Å; E451-V454 PolarHBondContact O-N 3.28Å; E451-R455 WeakPolarHBondContact O-CB 3.18Å; E451-R455 PolarHBondContact O-N 2.79Å; E451-R455 IonicContact OE2-NH2 3.75Å
452E82.5Confident83.9Confident112 Ų11298.8 Ų98.852%0.52348%0.483SS..Hα-helixtrans-71.5-32.9178.2-173.7162.9-136.500112K448 Q450 T456K448-E452 VanDerWaalsContact O-CB 3.26Å; K448-E452 WeakPolarHBondContact O-CB 3.17Å; K448-E452 PolarHBondContact O-N 3.21Å; Q450-E452 VanDerWaalsContact C-N 3.28Å; Q450-E452 PolarHBondContact O-N 3.45Å; E452-T456 VanDerWaalsContact O-CB 3.29Å; E452-T456 WeakPolarHBondContact O-CB 3.11Å; E452-T456 PolarHBondContact O-N 3.28Å; E452-T456 PolarHBondContact O-OG1 2.96Å
453K85Confident83.8Confident111 Ų11196.1 Ų96.148%0.48348%0.477SS..Hα-helixtrans-67.8-40.9167.7-71.4170-154.4161.60111.8Q449 Q450 T456 L457Q449-K453 WeakPolarHBondContact O-CD 3.39Å; Q449-K453 WeakPolarHBondContact O-CE 3.1Å; Q449-K453 VanDerWaalsContact O-CG 3.28Å; Q449-K453 WeakPolarHBondContact O-CG 3.34Å; Q449-K453 PolarHBondContact O-N 3.44Å; Q450-K453 WeakPolarHBondContact O-CB 3.2Å; Q450-K453 PolarHBondContact O-N 2.87Å; K453-T456 CarbonylContact O-C 3.59Å; K453-T456 PolarHBondContact O-N 2.6Å; K453-L457 WeakPolarHBondContact O-CB 3.31Å; K453-L457 VanDerWaalsContact O-CG 3.3Å; K453-L457 WeakPolarHBondContact O-CG 3.35Å; K453-L457 PolarHBondContact O-N 2.91Å
454V85.3Confident83.5Confident91 Ų9195.2 Ų95.255%0.55248%0.48SS*.Hα-helixtrans-62.4-47.21751700000109.9Q450 E451 T456 L457 Q458Q450-V454 WeakPolarHBondContact O-CG2 3.25Å; Q450-V454 PolarHBondContact O-N 2.89Å; E451-V454 PolarHBondContact O-N 3.28Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.25Å; V454-L457 CarbonylContact O-C 3.26Å; V454-L457 PolarHBondContact O-N 2.79Å; V454-L457 VanDerWaalsContact O-N 3.12Å; V454-Q458 WeakPolarHBondContact O-CB 3.2Å; V454-Q458 PolarHBondContact O-N 2.84Å
455R85.3Confident83.4Confident125 Ų12596.7 Ų96.747%0.47248%0.48SS..Hα-helixtrans-61-37.6172.6-80.1-177.6-89.6128.7-4.8112.8E451 L457 Q458 I459E451-R455 WeakPolarHBondContact O-CB 3.18Å; E451-R455 PolarHBondContact O-N 2.79Å; E451-R455 IonicContact OE2-NH2 3.75Å; R455-L457 VanDerWaalsContact C-N 3.33Å; R455-Q458 PolarHBondContact O-N 2.76Å; R455-I459 WeakPolarHBondContact O-CB 3.38Å; R455-I459 WeakPolarHBondContact O-CD1 3.2Å; R455-I459 VanDerWaalsContact O-CG1 3.27Å; R455-I459 WeakPolarHBondContact O-CG1 3.4Å; R455-I459 PolarHBondContact O-N 2.95Å
456T82.5Confident83.1Confident67 Ų6797.9 Ų97.941%0.41148%0.483SS..Hα-helixtrans-68.2-31.7174.4-58.20000112.6E452 K453 V454 K460E452-T456 VanDerWaalsContact O-CB 3.29Å; E452-T456 WeakPolarHBondContact O-CB 3.11Å; E452-T456 PolarHBondContact O-N 3.28Å; E452-T456 PolarHBondContact O-OG1 2.96Å; K453-T456 CarbonylContact O-C 3.59Å; K453-T456 PolarHBondContact O-N 2.6Å; V454-T456 VanDerWaalsContact C-N 3.33Å; V454-T456 PolarHBondContact O-N 3.25Å; T456-K460 WeakPolarHBondContact O-CD 3.49Å; T456-K460 VanDerWaalsContact O-CG 3.23Å; T456-K460 WeakPolarHBondContact O-CG 3.44Å; T456-K460 PolarHBondContact O-N 3.46Å
457L84.3Confident82.9Confident115 Ų11599.3 Ų99.360%0.60249%0.494SS*.Hα-helixtrans-77.7-36.4173.5-72.7169.4000111.4K453 V454 R455 K460 L461K453-L457 WeakPolarHBondContact O-CB 3.31Å; K453-L457 VanDerWaalsContact O-CG 3.3Å; K453-L457 WeakPolarHBondContact O-CG 3.35Å; K453-L457 PolarHBondContact O-N 2.91Å; V454-L457 CarbonylContact O-C 3.26Å; V454-L457 PolarHBondContact O-N 2.79Å; V454-L457 VanDerWaalsContact O-N 3.12Å; R455-L457 VanDerWaalsContact C-N 3.33Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 WeakPolarHBondContact O-CB 3.23Å; L457-K460 PolarHBondContact O-N 3.27Å; L457-L461 PolarHBondContact O-N 2.81Å
458Q83.8Confident82.4Confident88 Ų8899.4 Ų99.441%0.41149%0.494SS..Hα-helixtrans-63.5-53.6174.6-167.16251.400110.1V454 R455 K460 L461 D462V454-Q458 WeakPolarHBondContact O-CB 3.2Å; V454-Q458 PolarHBondContact O-N 2.84Å; R455-Q458 PolarHBondContact O-N 2.76Å; Q458-K460 PolarHBondContact O-N 3.44Å; Q458-L461 CarbonylContact O-C 3.24Å; Q458-L461 WeakPolarHBondContact O-CA 3.41Å; Q458-L461 WeakPolarHBondContact O-CB 3.35Å; Q458-L461 PolarHBondContact O-N 2.5Å; Q458-D462 PolarHBondContact NE2-OD1 3.38Å; Q458-D462 WeakPolarHBondContact O-CB 3.17Å; Q458-D462 PolarHBondContact O-N 2.92Å
459I84.9Confident81.7Confident104 Ų10497.4 Ų97.453%0.53349%0.489SS..Hα-helixtrans-56.7-29.9175.9-67.1163.5000112.1R455 T463R455-I459 WeakPolarHBondContact O-CB 3.38Å; R455-I459 WeakPolarHBondContact O-CD1 3.2Å; R455-I459 VanDerWaalsContact O-CG1 3.27Å; R455-I459 WeakPolarHBondContact O-CG1 3.4Å; R455-I459 PolarHBondContact O-N 2.95Å; I459-T463 WeakPolarHBondContact O-CB 3.23Å; I459-T463 WeakPolarHBondContact O-CG2 3.26Å; I459-T463 PolarHBondContact O-N 3.32Å; I459-T463 PolarHBondContact O-OG1 3.07Å
460K84.7Confident81.2Confident126 Ų12698.2 Ų98.255%0.54849%0.493SS..Hα-helixtrans-77.8-31.8172.9-76.3173.6-177177.90113.8T456 L457 Q458 T463 V464T456-K460 WeakPolarHBondContact O-CD 3.49Å; T456-K460 VanDerWaalsContact O-CG 3.23Å; T456-K460 WeakPolarHBondContact O-CG 3.44Å; T456-K460 PolarHBondContact O-N 3.46Å; L457-K460 CarbonylContact O-C 3.48Å; L457-K460 WeakPolarHBondContact O-CB 3.23Å; L457-K460 PolarHBondContact O-N 3.27Å; Q458-K460 PolarHBondContact O-N 3.44Å; K460-T463 WeakPolarHBondContact CA-OG1 3.49Å; K460-T463 PolarHBondContact O-OG1 3.16Å; K460-V464 WeakPolarHBondContact O-CB 3.26Å; K460-V464 WeakPolarHBondContact O-CG2 3.38Å; K460-V464 PolarHBondContact O-N 3.02Å
461L81.4Confident80.4Confident79 Ų7996.6 Ų96.641%0.41449%0.493SS..Hα-helixtrans-68.8-53.2169.9-177.560.6000108.9L457 Q458 T463 V464 E465L457-L461 PolarHBondContact O-N 2.81Å; Q458-L461 CarbonylContact O-C 3.24Å; Q458-L461 WeakPolarHBondContact O-CA 3.41Å; Q458-L461 WeakPolarHBondContact O-CB 3.35Å; Q458-L461 PolarHBondContact O-N 2.5Å; L461-T463 VanDerWaalsContact C-N 3.33Å; L461-T463 PolarHBondContact O-N 3.14Å; L461-V464 CarbonylContact O-C 3.56Å; L461-V464 WeakPolarHBondContact O-CA 3.27Å; L461-V464 PolarHBondContact O-N 3.13Å; L461-E465 HydrophobicContact CD1-CG 4.15Å; L461-E465 HydrophobicContact CG-CG 4.33Å; L461-E465 WeakPolarHBondContact O-CB 3.49Å; L461-E465 WeakPolarHBondContact O-CG 3.49Å; L461-E465 PolarHBondContact O-N 3.44Å
462D83.3Confident79.2Confident64 Ų6499.8 Ų99.834%0.34250%0.502SS..Hα-helixtrans-52.6-45.5176.8-51.4-21.8000111.8Q458 E465 D466Q458-D462 PolarHBondContact NE2-OD1 3.38Å; Q458-D462 WeakPolarHBondContact O-CB 3.17Å; Q458-D462 PolarHBondContact O-N 2.92Å; D462-E465 CarbonylContact O-C 3.6Å; D462-E465 PolarHBondContact O-N 3.44Å; D462-D466 WeakPolarHBondContact O-CB 3.46Å; D462-D466 PolarHBondContact O-N 2.9Å
463T82.5Confident78.1Confident72 Ų7297.4 Ų97.444%0.44250%0.497SS..Hα-helixtrans-72.1-32.1176.943.80000113.7I459 K460 L461 D467I459-T463 WeakPolarHBondContact O-CB 3.23Å; I459-T463 WeakPolarHBondContact O-CG2 3.26Å; I459-T463 PolarHBondContact O-N 3.32Å; I459-T463 PolarHBondContact O-OG1 3.07Å; K460-T463 WeakPolarHBondContact CA-OG1 3.49Å; K460-T463 PolarHBondContact O-OG1 3.16Å; L461-T463 VanDerWaalsContact C-N 3.33Å; L461-T463 PolarHBondContact O-N 3.14Å; T463-D467 WeakPolarHBondContact O-CB 3.26Å; T463-D467 PolarHBondContact O-N 3.03Å
464V80.4Confident76.7Confident86 Ų8698 Ų9852%0.52151%0.505SS..Hα-helixtrans-71.8-34.9171.4167.10000111K460 L461 L468K460-V464 WeakPolarHBondContact O-CB 3.26Å; K460-V464 WeakPolarHBondContact O-CG2 3.38Å; K460-V464 PolarHBondContact O-N 3.02Å; L461-V464 CarbonylContact O-C 3.56Å; L461-V464 WeakPolarHBondContact O-CA 3.27Å; L461-V464 PolarHBondContact O-N 3.13Å; V464-L468 WeakPolarHBondContact O-CB 3.32Å; V464-L468 PolarHBondContact O-N 2.83Å
465E80.3Confident75.1Confident99 Ų9996.7 Ų96.746%0.46350%0.5SS..Hα-helixtrans-71.3-36.9174-73.7-170.3-175.500111.2L461 D462 L468 L469L461-E465 HydrophobicContact CD1-CG 4.15Å; L461-E465 HydrophobicContact CG-CG 4.33Å; L461-E465 WeakPolarHBondContact O-CB 3.49Å; L461-E465 WeakPolarHBondContact O-CG 3.49Å; L461-E465 PolarHBondContact O-N 3.44Å; D462-E465 CarbonylContact O-C 3.6Å; D462-E465 PolarHBondContact O-N 3.44Å; E465-L468 CarbonylContact O-C 3.53Å; E465-L468 PolarHBondContact O-N 3.19Å; E465-L469 WeakPolarHBondContact O-CA 3.47Å; E465-L469 WeakPolarHBondContact O-CB 3.27Å; E465-L469 WeakPolarHBondContact O-CG 3.46Å; E465-L469 PolarHBondContact O-N 3.07Å
466D79.8Confident73.4Confident105 Ų10594 Ų9456%0.56150%0.495SS*.Hα-helixtrans-67.5-42.2171.1-95.6-21.3000111.8D462 L468 L469 Q470D462-D466 WeakPolarHBondContact O-CB 3.46Å; D462-D466 PolarHBondContact O-N 2.9Å; D466-L468 VanDerWaalsContact C-N 3.27Å; D466-L468 PolarHBondContact O-N 2.69Å; D466-L469 CarbonylContact O-C 3.57Å; D466-L469 PolarHBondContact O-N 2.79Å; D466-Q470 WeakPolarHBondContact O-CA 3.38Å; D466-Q470 WeakPolarHBondContact O-CB 3.4Å; D466-Q470 PolarHBondContact O-N 2.85Å
467D79.4Confident71.9Confident112 Ų11296.3 Ų96.360%0.59950%0.501SS*.Hα-helixtrans-60.1-39.7171.2-87.5-16.9000111T463 S471T463-D467 WeakPolarHBondContact O-CB 3.26Å; T463-D467 PolarHBondContact O-N 3.03Å; D467-S471 WeakPolarHBondContact O-CB 3.48Å; D467-S471 PolarHBondContact O-N 3.4Å; D467-S471 PolarHBondContact O-OG 3.44Å
468L72.2Confident70Confident106 Ų10699.2 Ų99.256%0.55551%0.509SS*.Hα-helixtrans-76.7-30.3179.6-159.5143.3000112.2V464 E465 D466 S471 R472V464-L468 WeakPolarHBondContact O-CB 3.32Å; V464-L468 PolarHBondContact O-N 2.83Å; E465-L468 CarbonylContact O-C 3.53Å; E465-L468 PolarHBondContact O-N 3.19Å; D466-L468 VanDerWaalsContact C-N 3.27Å; D466-L468 PolarHBondContact O-N 2.69Å; L468-S471 WeakPolarHBondContact CA-OG 3.36Å; L468-S471 PolarHBondContact O-OG 3.18Å; L468-R472 WeakPolarHBondContact O-CA 3.45Å; L468-R472 WeakPolarHBondContact O-CB 3.4Å; L468-R472 PolarHBondContact O-N 3.23Å
469L69.9Low68.4Low91 Ų9199.6 Ų99.648%0.47651%0.513SS..Hα-helixtrans-79.8-29.3172.7-76.3169.7000111.8E465 D466 R472 S473E465-L469 WeakPolarHBondContact O-CA 3.47Å; E465-L469 WeakPolarHBondContact O-CB 3.27Å; E465-L469 WeakPolarHBondContact O-CG 3.46Å; E465-L469 PolarHBondContact O-N 3.07Å; D466-L469 CarbonylContact O-C 3.57Å; D466-L469 PolarHBondContact O-N 2.79Å; L469-R472 CarbonylContact O-C 3.56Å; L469-S473 WeakPolarHBondContact O-CA 3.14Å; L469-S473 WeakPolarHBondContact O-CB 3.34Å; L469-S473 PolarHBondContact O-N 3.32Å; L469-S473 PolarHBondContact O-OG 3.18Å; L469-S473 VanDerWaalsContact O-OG 3.04Å
470Q70.7Confident66.8Low128 Ų12898 Ų9860%0.59851%0.508SS*.Hα-helixtrans-74-44173.6-168.5173.899.200110.1D466 S473 L474D466-Q470 WeakPolarHBondContact O-CA 3.38Å; D466-Q470 WeakPolarHBondContact O-CB 3.4Å; D466-Q470 PolarHBondContact O-N 2.85Å; Q470-S473 WeakPolarHBondContact CA-OG 3.43Å; Q470-S473 PolarHBondContact O-N 2.89Å; Q470-S473 PolarHBondContact O-OG 3.49Å; Q470-L474 WeakPolarHBondContact O-CG 3.41Å; Q470-L474 PolarHBondContact O-N 2.99Å
471S67.6Low65.1Low67 Ų6799.7 Ų99.747%0.46952%0.516SS..Hα-helixtrans-67.7-37.4170.356.80000112.7D467 L468 S475D467-S471 WeakPolarHBondContact O-CB 3.48Å; D467-S471 PolarHBondContact O-N 3.4Å; D467-S471 PolarHBondContact O-OG 3.44Å; L468-S471 WeakPolarHBondContact CA-OG 3.36Å; L468-S471 PolarHBondContact O-OG 3.18Å; S471-S475 WeakPolarHBondContact O-CB 3.31Å; S471-S475 PolarHBondContact O-N 3.13Å
472R58.8Low63.4Low148 Ų148100.4 Ų100.456%0.55853%0.527SS*.Hα-helixtrans-70.3-26.7171.5-170177.4-168.9-172.73.6112.8L468 L469 N476L468-R472 WeakPolarHBondContact O-CA 3.45Å; L468-R472 WeakPolarHBondContact O-CB 3.4Å; L468-R472 PolarHBondContact O-N 3.23Å; L469-R472 CarbonylContact O-C 3.56Å; R472-N476 WeakPolarHBondContact O-CA 3.41Å; R472-N476 WeakPolarHBondContact O-CB 3.11Å; R472-N476 PolarHBondContact O-N 3.3Å
473S58.5Low61.6Low62 Ų62103.9 Ų103.943%0.43455%0.545SS..Hα-helixtrans-80.6-34.2173.968.40000111.9L469 Q470 S475 N476 H477L469-S473 WeakPolarHBondContact O-CA 3.14Å; L469-S473 WeakPolarHBondContact O-CB 3.34Å; L469-S473 PolarHBondContact O-N 3.32Å; L469-S473 PolarHBondContact O-OG 3.18Å; L469-S473 VanDerWaalsContact O-OG 3.04Å; Q470-S473 WeakPolarHBondContact CA-OG 3.43Å; Q470-S473 PolarHBondContact O-N 2.89Å; Q470-S473 PolarHBondContact O-OG 3.49Å; S473-S475 VanDerWaalsContact C-N 3.28Å; S473-S475 PolarHBondContact O-N 3.49Å; S473-N476 PolarHBondContact O-N 2.85Å; S473-H477 WeakPolarHBondContact O-CA 3.36Å; S473-H477 WeakPolarHBondContact O-CB 3.39Å; S473-H477 PolarHBondContact O-N 2.89Å
474L55.1Low59.9Low123 Ų123109.1 Ų109.164%0.64456%0.562SS**Hα-helixtrans-59.2-41166.8-74.7164.9000111.2Q470Q470-L474 WeakPolarHBondContact O-CG 3.41Å; Q470-L474 PolarHBondContact O-N 2.99Å
475S51.4Low58Low64 Ų64110.9 Ų110.945%0.44857%0.573SS.*Hα-helixtrans-70-49.7174-169.40000112.9S471 S473 H477 F478 L479S471-S475 WeakPolarHBondContact O-CB 3.31Å; S471-S475 PolarHBondContact O-N 3.13Å; S473-S475 VanDerWaalsContact C-N 3.28Å; S473-S475 PolarHBondContact O-N 3.49Å; S475-H477 PolarHBondContact O-N 3.12Å; S475-F478 VanDerWaalsContact O-CB 3.24Å; S475-F478 WeakPolarHBondContact O-CB 3.16Å; S475-F478 PolarHBondContact O-N 3.21Å; S475-F478 VanDerWaalsContact O-N 3.13Å; S475-L479 PolarHBondContact O-N 3.43Å; S475-L479 VanDerWaalsContact O-N 3.14Å
476N50.7Low56.2Low67 Ų67114 Ų11436%0.35859%0.585SS.*Hα-helixtrans-71.5-28.3-178.5-78.2-11.2000113R472 S473 F478 L479 T480R472-N476 WeakPolarHBondContact O-CA 3.41Å; R472-N476 WeakPolarHBondContact O-CB 3.11Å; R472-N476 PolarHBondContact O-N 3.3Å; S473-N476 PolarHBondContact O-N 2.85Å; N476-F478 PolarHBondContact O-N 3.12Å; N476-L479 PolarHBondContact O-N 3.47Å; N476-T480 VanDerWaalsContact O-CB 3.28Å; N476-T480 WeakPolarHBondContact O-CB 3.42Å; N476-T480 VanDerWaalsContact O-CG2 3.3Å; N476-T480 WeakPolarHBondContact O-CG2 3.29Å; N476-T480 PolarHBondContact O-N 2.6Å; N476-T480 PolarHBondContact O-OG1 3.36Å
477H50.5Low54.2Low116 Ų116119.1 Ų119.154%0.53760%0.598SS.*Hα-helixtrans-68-28.7172-179.4-97.8000110.8S473 S475S473-H477 WeakPolarHBondContact O-CA 3.36Å; S473-H477 WeakPolarHBondContact O-CB 3.39Å; S473-H477 PolarHBondContact O-N 2.89Å; S475-H477 PolarHBondContact O-N 3.12Å
478F45Very low52.2Low176 Ų176120.4 Ų120.477%0.77260%0.603SS**Hα-helixtrans-70.6-38169.6-128.1-84.9000112.6S475 N476S475-F478 VanDerWaalsContact O-CB 3.24Å; S475-F478 WeakPolarHBondContact O-CB 3.16Å; S475-F478 PolarHBondContact O-N 3.21Å; S475-F478 VanDerWaalsContact O-N 3.13Å; N476-F478 PolarHBondContact O-N 3.12Å
479L49.4Very low50.4Low97 Ų97122 Ų12251%0.50861%0.612SS.*Hα-helixtrans-85.7-41.8-176.8-66.8171.4000114.2S475 N476 S482 L483S475-L479 PolarHBondContact O-N 3.43Å; S475-L479 VanDerWaalsContact O-N 3.14Å; N476-L479 PolarHBondContact O-N 3.47Å; L479-S482 WeakPolarHBondContact O-CA 3.33Å; L479-S482 WeakPolarHBondContact O-CB 3.48Å; L479-S482 PolarHBondContact O-N 2.95Å; L479-L483 PolarHBondContact O-N 3.36Å
480T51Low48.9Very low70 Ų70125.7 Ų125.743%0.42963%0.633SS.*Hα-helixtrans-71.3-33.2-176.2550000112.6N476 S482 L483 K484N476-T480 VanDerWaalsContact O-CB 3.28Å; N476-T480 WeakPolarHBondContact O-CB 3.42Å; N476-T480 VanDerWaalsContact O-CG2 3.3Å; N476-T480 WeakPolarHBondContact O-CG2 3.29Å; N476-T480 PolarHBondContact O-N 2.6Å; N476-T480 PolarHBondContact O-OG1 3.36Å; T480-S482 PolarHBondContact O-N 3.39Å; T480-S482 VanDerWaalsContact O-N 3.13Å; T480-L483 PolarHBondContact O-N 3.45Å; T480-K484 PolarHBondContact O-N 2.76Å
481K48.3Very low47.3Very low162 Ų162128.3 Ų128.370%0.70465%0.645SS**THydrogen-bonded Turntrans-58.1-21.3167.6-105.1-175.2174.31790113.2
482S47.2Very low46.2Very low94 Ų94131.1 Ų131.166%0.65766%0.659SS**THydrogen-bonded Turntrans-96.1-0.8176.6-169.60000114.3L479 T480L479-S482 WeakPolarHBondContact O-CA 3.33Å; L479-S482 WeakPolarHBondContact O-CB 3.48Å; L479-S482 PolarHBondContact O-N 2.95Å; T480-S482 PolarHBondContact O-N 3.39Å; T480-S482 VanDerWaalsContact O-N 3.13Å
483L45.7Very low45.2Very low136 Ų136131 Ų13171%0.71267%0.669SS**THydrogen-bonded Turntrans-131.1-27.4-173.4-77.6170.8000115.2L479 T480 T485L479-L483 PolarHBondContact O-N 3.36Å; T480-L483 PolarHBondContact O-N 3.45Å; L483-T485 PolarHBondContact O-N 2.92Å
484K45.2Very low44.6Very low183 Ų183134.4 Ų134.480%0.79668%0.681SS**THydrogen-bonded Turntrans-74.113.6-174.7-134.6175-174.5-178.50115T480T480-K484 PolarHBondContact O-N 2.76Å
485T41.5Very low43.9Very low122 Ų122135.6 Ų135.675%0.74869%0.688SS**THydrogen-bonded Turntrans-97.111.4-174.6-17.40000114.1L483L483-T485 PolarHBondContact O-N 2.92Å
486K42.4Very low43.5Very low166 Ų166139.9 Ų139.972%0.72271%0.706SS**SBendtrans-148.5118.9-178.4-108.6-175.3179.5-173.60114.5
487Y36.7Very low43.2Very low212 Ų212143.7 Ų143.783%0.83173%0.726SS**  trans66.8121.8172.8-61.5-81.9000115.5
488I38.1Very low42.8Very low138 Ų138147 Ų14771%0.70874%0.742SS**  trans-143.4143.2-178.5-77.5174.3000104.1
489N34.6Very low42.7Very low139 Ų139145 Ų14574%0.74374%0.739SS**  trans66124.8-175.3-55.92.3000115.2
490D38.5Very low42.3Very low170 Ų170148.6 Ų148.691%0.90975%0.754SS**  -152.3162.2101.7-87.3-25.7000108
491E36.9Very low41.8Very low182 Ų182152.3 Ų152.385%0.8577%0.771SS**  trans-140.4126.6-153.5178.9173.5-122.600108.7
492V44.5Very low41Very low127 Ų127153.9 Ų153.977%0.7778%0.781SS**  trans-150.4110.5-177.9-176.90000110.3I494V492-I494 HydrophobicContact CG1-CG1 4.15Å
493D38.3Very low40.3Very low144 Ų144157.1 Ų157.177%0.7779%0.791SS**  trans-75.8150.3161-59.2-63.9000110.4
494I45.9Very low39.9Very low134 Ų134158 Ų15869%0.68780%0.796SS**  trans-137.5102.3164.8-57.5-179.4000107.8V492V492-I494 HydrophobicContact CG1-CG1 4.15Å
495D39.8Very low39.5Very low148 Ų148157.6 Ų157.679%0.79180%0.801SS**  trans-75.7141.5154.6-53.8-66.2000108.4
496D43.6Very low38.9Very low155 Ų155158.4 Ų158.483%0.82980%0.801SS**  trans-140.5124.7161.9-92.4-47.5000106.8
497D43.4Very low38.4Very low146 Ų146154.4 Ų154.478%0.78180%0.799SS**  trans-78.4164.3-177.3-50.4-85000112.9
498E42.3Very low38.1Very low185 Ų185147.5 Ų147.586%0.86479%0.792SS**  trans175.793.2131.5-97.2176.1-163.700111.5
499D43.3Very low37.8Very low134 Ų134146.6 Ų146.672%0.71779%0.793SS**  52.7141.9124.4-60.8-25.5000124.7
500E40.3Very low37.8Very low174 Ų174147.6 Ų147.681%0.81379%0.793SS**  trans63.5128.4150.3-65.7169.6-176.900118.4
501D40.6Very low37.4Very low148 Ų148149.8 Ų149.879%0.79179%0.79SS**  cis-146.1170.315.2-111.3-31.1000112.2D503D501-D503 PolarHBondContact O-N 3.46Å
502E32.9Very low37Very low195 Ų195147 Ų14791%0.91178%0.781SS**  trans-66.2111.3-171.2-61.3-176.1162.600116
503D31.6Very low36.3Very low161 Ų161147.8 Ų147.886%0.86178%0.777SS**  trans-138.9163.8159.3-102.4-43.7000110.3D501D501-D503 PolarHBondContact O-N 3.46Å
504D37.5Very low35.9Very low155 Ų155150.4 Ų150.483%0.82978%0.784SS**  trans54.791.1-177.8-80.7-28.5000117.7N506D504-N506 PolarHBondContact O-N 2.89Å
505I37.5Very low35.1Very low175 Ų175150.2 Ų150.290%0.89779%0.785SS**  trans-74.975.4169.4-47.8177.8000111.1
506N28.6Very low34.5Very low139 Ų139147.3 Ų147.374%0.74378%0.781SS**  31.5141.2119-161.913.6000120D504D504-N506 PolarHBondContact O-N 2.89Å
507A30.8Very low33.6Very low82 Ų82145.6 Ų145.668%0.67878%0.78SS**  trans69.8142.6157.800000117.8
508G32.2Very low32.9Very low67 Ų67143.1 Ų143.169%0.69177%0.774SS**  cis103.5101.710.300000110.7
509T31.8Very low32.3Very low118 Ų118140.6 Ų140.672%0.72477%0.766SS**  trans-159.392.5170.3-19.90000102.7
510E34.2Very low31.7Very low161 Ų161142.3 Ų142.375%0.75277%0.77SS**  71.4100.1102.7-70.9170.4151.700108.9
511Y29.7Very low31.4Very low215 Ų215139.2 Ų139.284%0.84377%0.768SS**  cis44.9101.549-90.2-74.1000111
512N28.8Very low30.8Very low123 Ų123139.3 Ų139.366%0.65877%0.768SS**  trans69.6160.5171-36.7-15.2000113.7
513E30Very low31.1Very low145 Ų145134.4 Ų134.468%0.67875%0.753SS**  cis-138.3129.92.7-115.3120.3-123.600109.8N515E513-N515 PolarHBondContact O-ND2 3.27Å
514E28.7Very low31Very low198 Ų198135 Ų13593%0.92575%0.751SS**  trans-110.795.1136.2-72.5-160.7152.700106.4
515N28.8Very low30.7Very low131 Ų131134.8 Ų134.870%0.70175%0.749SS**  67.7108.282.3-86.5-64.1000115.2E513E513-N515 PolarHBondContact O-ND2 3.27Å
516A27.2Very low30.3Very low86 Ų86133.5 Ų133.571%0.71174%0.743SS**  52.988.1128.700000119.5
517C26Very low30.7Very low120 Ų120133.7 Ų133.781%0.81174%0.744SS**  -132.2124.7112.8-79.90000106.4
518S28.8Very low30.8Very low93 Ų93137.8 Ų137.865%0.6575%0.746SS**  71.1140.673102.50000111.6
519D28.5Very low31Very low132 Ų132141.3 Ų141.371%0.70675%0.745SS**  cis-153.3166.819.4-104.7-50.5000113.5
520E32.2Very low31.2Very low171 Ų171142.7 Ų142.780%0.79975%0.746SS**  trans55.8151.8148.2-67.8-177.7153.600123.4
521S33.4Very low31.5Very low109 Ų109138.7 Ų138.776%0.76274%0.736SS**  trans70.5113.1161.6-55.10000117.7
522N27.9Very low31.9Very low150 Ų150137.4 Ų137.480%0.80274%0.738SS**  cis65.2148.422.1-142.434.2000113.8
523P39.9Very low32.3Very low91 Ų91134.9 Ų134.959%0.59174%0.741SS**  -129.3-170.2-7039.7-25.8000113.5
524E28.5Very low32.7Very low174 Ų174136.1 Ų136.181%0.81375%0.747SS**  trans72158.7159.1-63.1-174.112100121.4
525L32.1Very low33.1Very low150 Ų150132.8 Ų132.879%0.78574%0.735SS**  trans86.8144.4161-51.3-173.1000121.1
526L29.3Very low33.5Very low148 Ų148132.8 Ų132.878%0.77573%0.731SS**  trans55.8106.9-179.7-83.867.1000115.7
527N36.1Very low34Very low144 Ų144135.6 Ų135.677%0.7773%0.729SS**  cis57.1103.213.2-168.81.4000116.3
528K33.4Very low34.6Very low167 Ų167137 Ų13773%0.72672%0.724SS**  trans-138.8111.3148-103.6-167.4171.3179.50111.3
529Q35.5Very low35.2Very low141 Ų141138.2 Ų138.266%0.65972%0.723SS**  60.8118.9124-71.2178.3-43.400117
530I35.8Very low35.7Very low148 Ų148138 Ų13876%0.75972%0.722SS**  cis-155.7145.830.6-91.4134.6000112.6
531S40.9Very low36.3Very low77 Ų77134.8 Ų134.854%0.53872%0.718SS.*  trans25.5135.6149.6-60.70000125
532E37.1Very low37.2Very low187 Ų187135.5 Ų135.587%0.87471%0.712SS**  54.2142122.8-57.4139.4-125.200119
533G38.9Very low38.4Very low71 Ų71134.4 Ų134.473%0.73271%0.711SS**  cis147.7166.526.500000105.8
534E36.7Very low39Very low171 Ų171136 Ų13680%0.79972%0.715SS**  cis-165.3149.8-1.1-105.2-169.7149.600108.1
535L38.8Very low40.1Very low127 Ų127131 Ų13167%0.66569%0.693SS**  trans54.7158.1139.9-51.8178.8000120.9
536E36Very low41.2Very low132 Ų132130 Ų13062%0.61768%0.684SS**  cis-166.9166.2-11.6-109.8176.8156.900112.5
537Q37.8Very low42.5Very low145 Ų145127.6 Ų127.668%0.67867%0.672SS**  trans34.1159.1136.8-58.8175.430.600123.1
538E38.2Very low43.8Very low150 Ų150127.4 Ų127.470%0.70167%0.665SS**  cis-167165.9-20-108.8-162.1147.500112.7
539N42.2Very low45.1Very low117 Ų117127.7 Ų127.763%0.62666%0.661SS**  trans48.4112.5142.6-60.1-23.9000125.7
540D38.6Very low46.7Very low128 Ų128125.9 Ų125.968%0.68466%0.655SS**  51.3132.2126-77.2-0.2000126.3
541S46.2Very low48.2Very low104 Ų104128.1 Ų128.173%0.72765%0.654SS**  trans-153.4151.4138.4-165.90000111.4L545S541-L545 VanDerWaalsContact O-CD1 3.26Å; S541-L545 WeakPolarHBondContact O-CD1 3.49Å; S541-L545 WeakPolarHBondContact O-CG 3.32Å
542I50.3Low49.3Very low123 Ų123131.2 Ų131.263%0.63166%0.658SS**  trans-104.4-27-133.8-77.1170.2000117.7L545I542-L545 WeakPolarHBondContact O-CB 3.41Å; I542-L545 PolarHBondContact O-N 3.47Å
543T53.1Low50.8Low127 Ų127126.2 Ų126.278%0.77964%0.636SS**Hα-helixtrans-76.5-41.4-170.547.60000114.1L545 E546T543-L545 PolarHBondContact O-N 3.39Å; T543-E546 PolarHBondContact O-N 3.36Å
544D53.4Low52.3Low126 Ų126130.8 Ų130.867%0.67464%0.636SS**Hα-helixtrans-69.7-26.3175.3-129.2-16.3000111.5E546 K548D544-E546 PolarHBondContact O-N 3.1Å; D544-K548 WeakPolarHBondContact O-CB 3.37Å; D544-K548 PolarHBondContact O-N 3.37Å; D544-K548 VanDerWaalsContact O-N 3.08Å
545L52Low53.8Low67 Ų67126.2 Ų126.235%0.35162%0.623SS.*Hα-helixtrans-61.4-24.4175-75.9177.5000112.9S541 I542 T543 R549S541-L545 VanDerWaalsContact O-CD1 3.26Å; S541-L545 WeakPolarHBondContact O-CD1 3.49Å; S541-L545 WeakPolarHBondContact O-CG 3.32Å; I542-L545 WeakPolarHBondContact O-CB 3.41Å; I542-L545 PolarHBondContact O-N 3.47Å; T543-L545 PolarHBondContact O-N 3.39Å; L545-R549 WeakPolarHBondContact O-CA 3.38Å; L545-R549 WeakPolarHBondContact O-CB 3.46Å; L545-R549 VanDerWaalsContact O-CG 3.3Å; L545-R549 WeakPolarHBondContact O-CG 3.31Å; L545-R549 PolarHBondContact O-N 2.76Å
546E54.3Low54.8Low129 Ų129124.6 Ų124.660%0.60361%0.614SS**Hα-helixtrans-77.8-47.3-178.8-169.9151-121.400112.8T543 D544 K548 R549 I550T543-E546 PolarHBondContact O-N 3.36Å; D544-E546 PolarHBondContact O-N 3.1Å; E546-K548 VanDerWaalsContact C-N 3.26Å; E546-K548 PolarHBondContact O-N 2.73Å; E546-R549 CarbonylContact O-C 3.49Å; E546-R549 WeakPolarHBondContact O-CA 3.31Å; E546-R549 WeakPolarHBondContact O-CB 3.04Å; E546-R549 PolarHBondContact O-N 3.11Å; E546-R549 VanDerWaalsContact O-N 3.15Å; E546-I550 WeakPolarHBondContact O-CG1 3.24Å; E546-I550 PolarHBondContact O-N 3.04Å
547N57.6Low56.3Low99 Ų99126.8 Ų126.853%0.52962%0.616SS.*Hα-helixtrans-65.8-31.6172.2-85.9-56.9000112.2R551N547-R551 PolarHBondContact O-N 2.89Å
548K63.9Low57.7Low140 Ų140122.5 Ų122.561%0.60960%0.602SS**Hα-helixtrans-72.2-35.1172.7-151167-170.9173.60111.1D544 E546 K552D544-K548 WeakPolarHBondContact O-CB 3.37Å; D544-K548 PolarHBondContact O-N 3.37Å; D544-K548 VanDerWaalsContact O-N 3.08Å; E546-K548 VanDerWaalsContact C-N 3.26Å; E546-K548 PolarHBondContact O-N 2.73Å; K548-K552 WeakPolarHBondContact O-CB 3.42Å; K548-K552 PolarHBondContact O-N 2.97Å
549R60.4Low58.8Low172 Ų172116.8 Ų116.865%0.64958%0.581SS**Hα-helixtrans-61.8-50168.2-94.4-179169.4-167.8-1.3111L545 E546 R551 K552 I553L545-R549 WeakPolarHBondContact O-CA 3.38Å; L545-R549 WeakPolarHBondContact O-CB 3.46Å; L545-R549 VanDerWaalsContact O-CG 3.3Å; L545-R549 WeakPolarHBondContact O-CG 3.31Å; L545-R549 PolarHBondContact O-N 2.76Å; E546-R549 CarbonylContact O-C 3.49Å; E546-R549 WeakPolarHBondContact O-CA 3.31Å; E546-R549 WeakPolarHBondContact O-CB 3.04Å; E546-R549 PolarHBondContact O-N 3.11Å; E546-R549 VanDerWaalsContact O-N 3.15Å; R549-R551 PolarHBondContact O-N 3Å; R549-K552 CarbonylContact O-C 3.57Å; R549-K552 WeakPolarHBondContact O-CA 3.29Å; R549-K552 PolarHBondContact O-N 2.86Å; R549-K552 VanDerWaalsContact O-N 3.15Å; R549-I553 HydrophobicContact CB-CD1 4.35Å; R549-I553 WeakPolarHBondContact O-CB 3.38Å; R549-I553 VanDerWaalsContact O-CG1 3.22Å; R549-I553 WeakPolarHBondContact O-CG1 3.27Å; R549-I553 PolarHBondContact O-N 2.9Å
550I69.3Low59.6Low103 Ų103116.1 Ų116.153%0.52858%0.577SS.*Hα-helixtrans-61.6-43.2-178.2-67.8169.2000111.2E546 I553 K554E546-I550 WeakPolarHBondContact O-CG1 3.24Å; E546-I550 PolarHBondContact O-N 3.04Å; I550-I553 PolarHBondContact O-N 2.89Å; I550-K554 PolarHBondContact O-N 3.39Å
551R66.8Low60.8Low195 Ų195118 Ų11874%0.73658%0.579SS**Hα-helixtrans-65.7-41.8172.9-86-173.7-85.1-166-4.6112.6N547 R549 K554 S555N547-R551 PolarHBondContact O-N 2.89Å; R549-R551 PolarHBondContact O-N 3Å; R551-K554 PolarHBondContact O-N 3.27Å; R551-S555 WeakPolarHBondContact O-CB 3.44Å; R551-S555 PolarHBondContact O-N 3.32Å
552K63.6Low61.5Low143 Ų143120.7 Ų120.762%0.62257%0.573SS**Hα-helixtrans-57.7-47.4169.9-92.9-172.8172-178.30111.3K548 R549 K554 S555 I556K548-K552 WeakPolarHBondContact O-CB 3.42Å; K548-K552 PolarHBondContact O-N 2.97Å; R549-K552 CarbonylContact O-C 3.57Å; R549-K552 WeakPolarHBondContact O-CA 3.29Å; R549-K552 PolarHBondContact O-N 2.86Å; R549-K552 VanDerWaalsContact O-N 3.15Å; K552-K554 PolarHBondContact O-N 3.45Å; K552-S555 CarbonylContact O-C 3.55Å; K552-S555 WeakPolarHBondContact O-CB 3.35Å; K552-S555 PolarHBondContact O-N 3.5Å; K552-I556 HydrophobicContact CB-CD1 4.1Å; K552-I556 VanDerWaalsContact O-CB 3.24Å; K552-I556 WeakPolarHBondContact O-CB 3.43Å; K552-I556 WeakPolarHBondContact O-CD1 3.45Å; K552-I556 WeakPolarHBondContact O-CG1 3.44Å; K552-I556 PolarHBondContact O-N 2.72Å
553I68.7Low61.9Low82 Ų82119.9 Ų119.942%0.42157%0.57SS.*Hα-helixtrans-63.8-39.4-177.8-70.6162.2000111.4R549 I550 R557R549-I553 HydrophobicContact CB-CD1 4.35Å; R549-I553 WeakPolarHBondContact O-CB 3.38Å; R549-I553 VanDerWaalsContact O-CG1 3.22Å; R549-I553 WeakPolarHBondContact O-CG1 3.27Å; R549-I553 PolarHBondContact O-N 2.9Å; I550-I553 PolarHBondContact O-N 2.89Å; I553-R557 WeakPolarHBondContact O-CB 3.3Å; I553-R557 PolarHBondContact O-N 3.4Å
554K71.3Confident62.1Low167 Ų167120.4 Ų120.473%0.72656%0.563SS**Hα-helixtrans-71-35.2175.8-159.9172.3-176178.30112.3I550 R551 K552 S558I550-K554 PolarHBondContact O-N 3.39Å; R551-K554 PolarHBondContact O-N 3.27Å; K552-K554 PolarHBondContact O-N 3.45Å; K554-S558 PolarHBondContact O-N 3.28Å; K554-S558 PolarHBondContact O-OG 3Å
555S66.9Low62.6Low75 Ų75123 Ų12352%0.52457%0.565SS.*Hα-helixtrans-67.3-47.9171.4-1740000111.7R551 K552 R557 S558 A559R551-S555 WeakPolarHBondContact O-CB 3.44Å; R551-S555 PolarHBondContact O-N 3.32Å; K552-S555 CarbonylContact O-C 3.55Å; K552-S555 WeakPolarHBondContact O-CB 3.35Å; K552-S555 PolarHBondContact O-N 3.5Å; S555-R557 PolarHBondContact O-N 3.46Å; S555-S558 PolarHBondContact O-N 2.78Å; S555-S558 PolarHBondContact O-OG 3.4Å; S555-A559 WeakPolarHBondContact O-CB 3.45Å; S555-A559 PolarHBondContact O-N 2.91Å
556I60.6Low63.2Low92 Ų92122.4 Ų122.447%0.47257%0.566SS.*Hα-helixtrans-61.1-39.8175.7-70.6163.9000110.8K552 A559 L560K552-I556 HydrophobicContact CB-CD1 4.1Å; K552-I556 VanDerWaalsContact O-CB 3.24Å; K552-I556 WeakPolarHBondContact O-CB 3.43Å; K552-I556 WeakPolarHBondContact O-CD1 3.45Å; K552-I556 WeakPolarHBondContact O-CG1 3.44Å; K552-I556 PolarHBondContact O-N 2.72Å; I556-A559 CarbonylContact O-C 3.49Å; I556-A559 PolarHBondContact O-N 3.08Å; I556-L560 HydrophobicContact CG2-CD1 3.97Å; I556-L560 WeakPolarHBondContact O-CB 3.45Å; I556-L560 WeakPolarHBondContact O-CD1 3.5Å; I556-L560 PolarHBondContact O-N 2.97Å
557R68Low63.7Low179 Ų179124.4 Ų124.468%0.67557%0.568SS**Hα-helixtrans-69.2-33.1177.6-170.8177.7-66.3169.8-0.5112.8I553 S555 K561I553-R557 WeakPolarHBondContact O-CB 3.3Å; I553-R557 PolarHBondContact O-N 3.4Å; S555-R557 PolarHBondContact O-N 3.46Å; R557-K561 PolarHBondContact O-N 3.3Å; R557-K561 VanDerWaalsContact O-N 3.16Å
558S66.2Low64.4Low54 Ų54128 Ų12838%0.37857%0.574SS.*Hα-helixtrans-80.2-31.6174.247.70000112.5K554 S555 R562K554-S558 PolarHBondContact O-N 3.28Å; K554-S558 PolarHBondContact O-OG 3Å; S555-S558 PolarHBondContact O-N 2.78Å; S555-S558 PolarHBondContact O-OG 3.4Å; S558-R562 PolarHBondContact O-N 3.33Å
559A61.8Low64.9Low31 Ų31125.6 Ų125.626%0.25657%0.567SS.*Hα-helixtrans-64.6-41.5165.500000111.6S555 I556 K561 R562 N563S555-A559 WeakPolarHBondContact O-CB 3.45Å; S555-A559 PolarHBondContact O-N 2.91Å; I556-A559 CarbonylContact O-C 3.49Å; I556-A559 PolarHBondContact O-N 3.08Å; A559-K561 PolarHBondContact O-N 2.8Å; A559-R562 CarbonylContact O-C 3.16Å; A559-R562 PolarHBondContact O-N 3.38Å; A559-R562 VanDerWaalsContact O-N 3.12Å; A559-N563 WeakPolarHBondContact O-CB 3.15Å; A559-N563 PolarHBondContact O-N 3.06Å
560L58Low65.3Low102 Ų102122 Ų12253%0.53456%0.56SS.*Hα-helixtrans-60.7-42.1175.4-114.272.8000111.4I556 R562 N563 H564I556-L560 HydrophobicContact CG2-CD1 3.97Å; I556-L560 WeakPolarHBondContact O-CB 3.45Å; I556-L560 WeakPolarHBondContact O-CD1 3.5Å; I556-L560 PolarHBondContact O-N 2.97Å; L560-R562 VanDerWaalsContact C-N 3.34Å; L560-R562 PolarHBondContact O-N 2.9Å; L560-N563 CarbonylContact O-C 3.56Å; L560-N563 PolarHBondContact O-N 2.89Å; L560-H564 WeakPolarHBondContact O-CB 3.41Å; L560-H564 PolarHBondContact O-N 3.37Å
561K65.4Low65.3Low167 Ų167122.1 Ų122.173%0.72656%0.558SS**Hα-helixtrans-64.3-36174.2-85.8-159.7170-166.40113R557 A559 H564 Y565R557-K561 PolarHBondContact O-N 3.3Å; R557-K561 VanDerWaalsContact O-N 3.16Å; A559-K561 PolarHBondContact O-N 2.8Å; K561-H564 PolarHBondContact O-N 3.48Å; K561-Y565 PolarHBondContact O-N 2.9Å
562R60.5Low65.6Low161 Ų161119 Ų11961%0.60855%0.552SS**Hα-helixtrans-69.7-41172-83.2-172.4-104.198.1-2.2112.4S558 A559 L560 H564 Y565 S566S558-R562 PolarHBondContact O-N 3.33Å; A559-R562 CarbonylContact O-C 3.16Å; A559-R562 PolarHBondContact O-N 3.38Å; A559-R562 VanDerWaalsContact O-N 3.12Å; L560-R562 VanDerWaalsContact C-N 3.34Å; L560-R562 PolarHBondContact O-N 2.9Å; R562-H564 VanDerWaalsContact C-N 3.27Å; R562-H564 PolarHBondContact O-N 2.96Å; R562-Y565 PolarHBondContact O-N 3.18Å; R562-S566 WeakPolarHBondContact O-CB 3.49Å; R562-S566 PolarHBondContact O-N 2.78Å; R562-S566 PolarHBondContact O-OG 3.08Å
563N58.4Low66.2Low106 Ų106117 Ų11757%0.56755%0.545SS*.Hα-helixtrans-64.3-29.9171.9-79.65.4000112.2A559 L560 R567A559-N563 WeakPolarHBondContact O-CB 3.15Å; A559-N563 PolarHBondContact O-N 3.06Å; L560-N563 CarbonylContact O-C 3.56Å; L560-N563 PolarHBondContact O-N 2.89Å; N563-R567 WeakPolarHBondContact O-CA 3.45Å; N563-R567 WeakPolarHBondContact O-CB 3.42Å; N563-R567 PolarHBondContact O-N 3.24Å
564H57.7Low66.4Low139 Ų139120.7 Ų120.764%0.64455%0.554SS**Hα-helixtrans-72.3-34.2175.8-128.9-55.8000112.4L560 K561 R562 R568L560-H564 WeakPolarHBondContact O-CB 3.41Å; L560-H564 PolarHBondContact O-N 3.37Å; K561-H564 PolarHBondContact O-N 3.48Å; R562-H564 VanDerWaalsContact C-N 3.27Å; R562-H564 PolarHBondContact O-N 2.96Å; H564-R568 WeakPolarHBondContact O-CB 3.46Å; H564-R568 PolarHBondContact O-N 3.43Å; H564-R568 VanDerWaalsContact O-N 3.13Å
565Y62.7Low66.7Low179 Ų179116.1 Ų116.170%0.70254%0.537SS*.Hα-helixtrans-73.7-44.5171.9-111.9-85.7000111.6K561 R562 R568 I569K561-Y565 PolarHBondContact O-N 2.9Å; R562-Y565 PolarHBondContact O-N 3.18Å; Y565-R568 PolarHBondContact O-N 3.25Å; Y565-R568 VanDerWaalsContact O-N 3.11Å; Y565-I569 PolarHBondContact O-N 3.09Å
566S64.5Low67.2Low55 Ų55116.1 Ų116.139%0.38554%0.537SS..Hα-helixtrans-65-43177.4-49.80000111R562 R568 I569 I570R562-S566 WeakPolarHBondContact O-CB 3.49Å; R562-S566 PolarHBondContact O-N 2.78Å; R562-S566 PolarHBondContact O-OG 3.08Å; S566-R568 VanDerWaalsContact C-N 3.28Å; S566-R568 PolarHBondContact O-N 3.1Å; S566-I569 PolarHBondContact O-N 3.31Å; S566-I570 VanDerWaalsContact O-CB 3.29Å; S566-I570 WeakPolarHBondContact O-CB 3.47Å; S566-I570 WeakPolarHBondContact O-CG1 3.3Å; S566-I570 PolarHBondContact O-N 3.06Å
567R66.3Low68.1Low171 Ų171119.2 Ų119.265%0.64554%0.544SS*.Hα-helixtrans-59.9-36.9170.7178.7178.7-94.2-130.9-0.7111.3N563 Q571N563-R567 WeakPolarHBondContact O-CA 3.45Å; N563-R567 WeakPolarHBondContact O-CB 3.42Å; N563-R567 PolarHBondContact O-N 3.24Å; R567-Q571 WeakPolarHBondContact O-CA 3.41Å; R567-Q571 WeakPolarHBondContact O-CB 3.36Å; R567-Q571 PolarHBondContact O-N 2.73Å
568R71.4Confident68.6Low174 Ų174115.3 Ų115.366%0.65753%0.534SS*.Hα-helixtrans-68.9-39177.4-169173.3-173.4160.45.8112.6H564 Y565 S566 Q572H564-R568 WeakPolarHBondContact O-CB 3.46Å; H564-R568 PolarHBondContact O-N 3.43Å; H564-R568 VanDerWaalsContact O-N 3.13Å; Y565-R568 PolarHBondContact O-N 3.25Å; Y565-R568 VanDerWaalsContact O-N 3.11Å; S566-R568 VanDerWaalsContact C-N 3.28Å; S566-R568 PolarHBondContact O-N 3.1Å; R568-Q572 WeakPolarHBondContact O-CG 3.38Å; R568-Q572 PolarHBondContact O-N 2.78Å
569I74Confident69.4Low90 Ų90117.9 Ų117.946%0.46254%0.543SS..Hα-helixtrans-68.4-51.8174-65.5173.3000109.9Y565 S566 Q571 Q572 E573Y565-I569 PolarHBondContact O-N 3.09Å; S566-I569 PolarHBondContact O-N 3.31Å; I569-Q571 PolarHBondContact O-N 2.71Å; I569-Q571 VanDerWaalsContact O-N 3.17Å; I569-Q572 WeakPolarHBondContact O-CA 3.46Å; I569-Q572 PolarHBondContact O-N 3.06Å; I569-E573 HydrophobicContact CG2-CG 4.49Å; I569-E573 WeakPolarHBondContact O-CG 3.32Å; I569-E573 PolarHBondContact O-N 3.5Å
570I69.7Low70.5Confident96 Ų96120.6 Ų120.649%0.49255%0.551SS.*Hα-helixtrans-56-34.9176.1-68.9165.7000111.1S566 E573 W574S566-I570 VanDerWaalsContact O-CB 3.29Å; S566-I570 WeakPolarHBondContact O-CB 3.47Å; S566-I570 WeakPolarHBondContact O-CG1 3.3Å; S566-I570 PolarHBondContact O-N 3.06Å; I570-E573 PolarHBondContact O-N 2.98Å; I570-W574 VanDerWaalsContact O-CB 3.29Å; I570-W574 WeakPolarHBondContact O-CB 3.4Å; I570-W574 PolarHBondContact O-N 2.97Å
571Q68.9Low71.6Confident106 Ų106120 Ų12050%0.49555%0.551SS.*Hα-helixtrans-79-28.9177.6-168.7161.110.500112.6R567 I569 W574 N575R567-Q571 WeakPolarHBondContact O-CA 3.41Å; R567-Q571 WeakPolarHBondContact O-CB 3.36Å; R567-Q571 PolarHBondContact O-N 2.73Å; I569-Q571 PolarHBondContact O-N 2.71Å; I569-Q571 VanDerWaalsContact O-N 3.17Å; Q571-W574 PolarHBondContact O-N 3.36Å; Q571-N575 WeakPolarHBondContact O-CB 3.29Å; Q571-N575 PolarHBondContact O-N 3.12Å; Q571-N575 PolarHBondContact O-OD1 3.48Å
572Q72.6Confident72.6Confident131 Ų131117.8 Ų117.861%0.61254%0.541SS*.Hα-helixtrans-69.3-36.3166.8-72.5-175.8-90.200111.8R568 I569 S576R568-Q572 WeakPolarHBondContact O-CG 3.38Å; R568-Q572 PolarHBondContact O-N 2.78Å; I569-Q572 WeakPolarHBondContact O-CA 3.46Å; I569-Q572 PolarHBondContact O-N 3.06Å; Q572-S576 WeakPolarHBondContact O-CB 3.28Å; Q572-S576 PolarHBondContact O-N 3.13Å
573E76.3Confident73.7Confident101 Ų101115.3 Ų115.347%0.47254%0.537SS..Hα-helixtrans-64.9-43.5169.6-67.6167173.500110.5I569 I570 S576 Y577I569-E573 HydrophobicContact CG2-CG 4.49Å; I569-E573 WeakPolarHBondContact O-CG 3.32Å; I569-E573 PolarHBondContact O-N 3.5Å; I570-E573 PolarHBondContact O-N 2.98Å; E573-S576 CarbonylContact O-C 3.58Å; E573-S576 WeakPolarHBondContact O-CB 3.44Å; E573-S576 PolarHBondContact O-N 2.97Å; E573-S576 VanDerWaalsContact O-N 3.13Å; E573-Y577 HydrophobicContact CB-CE2 4.33Å; E573-Y577 WeakPolarHBondContact O-CD2 3.36Å; E573-Y577 PolarHBondContact O-N 2.99Å
574W74.1Confident75Confident159 Ų159113.7 Ų113.760%0.60253%0.528SS*.Hα-helixtrans-63.8-46.7178.4-140.588.5000111.8I570 Q571 S576 Y577 E578I570-W574 VanDerWaalsContact O-CB 3.29Å; I570-W574 WeakPolarHBondContact O-CB 3.4Å; I570-W574 PolarHBondContact O-N 2.97Å; Q571-W574 PolarHBondContact O-N 3.36Å; W574-S576 VanDerWaalsContact C-N 3.26Å; W574-S576 PolarHBondContact O-N 3.27Å; W574-Y577 CarbonylContact O-C 3.56Å; W574-Y577 PolarHBondContact O-N 3.26Å; W574-E578 HydrophobicContact CE3-CB 4.14Å; W574-E578 HydrophobicContact CZ3-CB 4.24Å; W574-E578 HydrophobicContact CZ3-CG 4.21Å; W574-E578 VanDerWaalsContact O-CB 3.27Å; W574-E578 WeakPolarHBondContact O-CB 3.19Å; W574-E578 PolarHBondContact O-N 3.44Å
575N76.4Confident76.3Confident71 Ų71110.9 Ų110.938%0.3852%0.52SS..Hα-helixtrans-57.2-39.2171.4-83.794.1000111.4Q571 Y577 E578 D579Q571-N575 WeakPolarHBondContact O-CB 3.29Å; Q571-N575 PolarHBondContact O-N 3.12Å; Q571-N575 PolarHBondContact O-OD1 3.48Å; N575-Y577 VanDerWaalsContact C-N 3.35Å; N575-Y577 PolarHBondContact O-N 2.95Å; N575-E578 PolarHBondContact O-N 3.19Å; N575-D579 WeakPolarHBondContact O-CB 3.48Å; N575-D579 VanDerWaalsContact O-CG 3.24Å; N575-D579 PolarHBondContact O-N 2.97Å
576S77.2Confident77.5Confident75 Ų75106.5 Ų106.552%0.52451%0.509SS..Hα-helixtrans-69.6-27.7175.3-170.90000113.9Q572 E573 W574 H580Q572-S576 WeakPolarHBondContact O-CB 3.28Å; Q572-S576 PolarHBondContact O-N 3.13Å; E573-S576 CarbonylContact O-C 3.58Å; E573-S576 WeakPolarHBondContact O-CB 3.44Å; E573-S576 PolarHBondContact O-N 2.97Å; E573-S576 VanDerWaalsContact O-N 3.13Å; W574-S576 VanDerWaalsContact C-N 3.26Å; W574-S576 PolarHBondContact O-N 3.27Å; S576-H580 WeakPolarHBondContact O-CB 3.24Å; S576-H580 PolarHBondContact O-N 2.77Å
577Y79.6Confident78.6Confident157 Ų157109.2 Ų109.262%0.61652%0.515SS*.Hα-helixtrans-79.8-31.6170.6-70.9-64.2000112E573 W574 N575 H580 V581E573-Y577 HydrophobicContact CB-CE2 4.33Å; E573-Y577 WeakPolarHBondContact O-CD2 3.36Å; E573-Y577 PolarHBondContact O-N 2.99Å; W574-Y577 CarbonylContact O-C 3.56Å; W574-Y577 PolarHBondContact O-N 3.26Å; N575-Y577 VanDerWaalsContact C-N 3.35Å; N575-Y577 PolarHBondContact O-N 2.95Å; Y577-H580 PolarHBondContact O-N 3.26Å; Y577-V581 VanDerWaalsContact O-CB 3.3Å; Y577-V581 WeakPolarHBondContact O-CB 3.34Å; Y577-V581 WeakPolarHBondContact O-CG2 3.47Å; Y577-V581 PolarHBondContact O-N 3.45Å
578E79.7Confident79.4Confident96 Ų96106 Ų10645%0.44951%0.51SS..Hα-helixtrans-70.2-44.7176.2-173.1171.8-14400110.7W574 N575 H580 V581 K582W574-E578 HydrophobicContact CE3-CB 4.14Å; W574-E578 HydrophobicContact CZ3-CB 4.24Å; W574-E578 HydrophobicContact CZ3-CG 4.21Å; W574-E578 VanDerWaalsContact O-CB 3.27Å; W574-E578 WeakPolarHBondContact O-CB 3.19Å; W574-E578 PolarHBondContact O-N 3.44Å; N575-E578 PolarHBondContact O-N 3.19Å; E578-H580 VanDerWaalsContact C-N 3.33Å; E578-H580 PolarHBondContact O-N 3.46Å; E578-V581 PolarHBondContact O-N 2.99Å; E578-K582 WeakPolarHBondContact O-CB 3.33Å; E578-K582 PolarHBondContact O-N 3.27Å
579D82.4Confident80Confident109 Ų109101 Ų10158%0.58349%0.494SS*.Hα-helixtrans-58.1-43169.5-73.2-32.9000111.1N575 K582 E583N575-D579 WeakPolarHBondContact O-CB 3.48Å; N575-D579 VanDerWaalsContact O-CG 3.24Å; N575-D579 PolarHBondContact O-N 2.97Å; D579-K582 PolarHBondContact O-N 2.87Å; D579-E583 WeakPolarHBondContact O-CB 3.45Å; D579-E583 PolarHBondContact O-N 2.93Å
580H83.9Confident80.6Confident88 Ų88103.2 Ų103.241%0.40750%0.502SS..Hα-helixtrans-76.2-33.3179.8-172.752.5000113.6S576 Y577 E578 K582 E583 L584S576-H580 WeakPolarHBondContact O-CB 3.24Å; S576-H580 PolarHBondContact O-N 2.77Å; Y577-H580 PolarHBondContact O-N 3.26Å; E578-H580 VanDerWaalsContact C-N 3.33Å; E578-H580 PolarHBondContact O-N 3.46Å; H580-K582 VanDerWaalsContact C-N 3.3Å; H580-E583 IonicContact CE1-OE2 3.92Å; H580-E583 IonicContact CG-OE2 3.92Å; H580-E583 IonicContact ND1-OE2 2.84Å; H580-E583 PolarHBondContact ND1-OE2 3.35Å; H580-E583 PolarHBondContact O-N 2.92Å; H580-L584 WeakPolarHBondContact O-CB 3.45Å; H580-L584 VanDerWaalsContact O-CG 3.31Å; H580-L584 WeakPolarHBondContact O-CG 3.38Å; H580-L584 PolarHBondContact O-N 2.93Å
581V83Confident81.4Confident90 Ų90103.3 Ų103.355%0.54551%0.508SS..Hα-helixtrans-65.3-37.7169.5163.60000110Y577 E578 T585Y577-V581 VanDerWaalsContact O-CB 3.3Å; Y577-V581 WeakPolarHBondContact O-CB 3.34Å; Y577-V581 WeakPolarHBondContact O-CG2 3.47Å; Y577-V581 PolarHBondContact O-N 3.45Å; E578-V581 PolarHBondContact O-N 2.99Å; V581-T585 WeakPolarHBondContact O-CB 3Å; V581-T585 PolarHBondContact O-N 2.81Å; V581-T585 PolarHBondContact O-OG1 3.19Å
582K85Confident82.2Confident120 Ų120105.3 Ų105.352%0.52251%0.51SS..Hα-helixtrans-66.1-46.1172.3-170-173.2179-67.90111.6E578 D579 H580 L584 T585 D586E578-K582 WeakPolarHBondContact O-CB 3.33Å; E578-K582 PolarHBondContact O-N 3.27Å; D579-K582 PolarHBondContact O-N 2.87Å; H580-K582 VanDerWaalsContact C-N 3.3Å; K582-L584 VanDerWaalsContact C-N 3.35Å; K582-L584 PolarHBondContact O-N 2.72Å; K582-T585 CarbonylContact O-C 3.55Å; K582-T585 WeakPolarHBondContact O-CA 3.49Å; K582-T585 WeakPolarHBondContact O-CB 3.41Å; K582-T585 PolarHBondContact O-N 3.19Å; K582-D586 IonicContact NZ-OD1 3.39Å; K582-D586 PolarHBondContact NZ-OD1 3.48Å; K582-D586 IonicContact NZ-OD2 2.66Å; K582-D586 PolarHBondContact NZ-OD2 2.85Å; K582-D586 PolarHBondContact O-N 3.45Å
583E84.7Confident82.9Confident109 Ų109103 Ų10351%0.50950%0.499SS..Hα-helixtrans-55.1-48.1175-175.7177.2-129.100111.4D579 H580 T585 D586 E587D579-E583 WeakPolarHBondContact O-CB 3.45Å; D579-E583 PolarHBondContact O-N 2.93Å; H580-E583 IonicContact CE1-OE2 3.92Å; H580-E583 IonicContact CG-OE2 3.92Å; H580-E583 IonicContact ND1-OE2 2.84Å; H580-E583 PolarHBondContact ND1-OE2 3.35Å; H580-E583 PolarHBondContact O-N 2.92Å; E583-T585 VanDerWaalsContact C-N 3.31Å; E583-T585 PolarHBondContact O-N 3.29Å; E583-D586 PolarHBondContact O-N 3.02Å; E583-E587 WeakPolarHBondContact O-CG 3.14Å; E583-E587 PolarHBondContact O-N 2.88Å
584L84.8Confident83.1Confident72 Ų72102.1 Ų102.138%0.37750%0.495SS..Hα-helixtrans-65.2-30.2174.1-71.1169.5000113.3H580 K582 I588H580-L584 WeakPolarHBondContact O-CB 3.45Å; H580-L584 VanDerWaalsContact O-CG 3.31Å; H580-L584 WeakPolarHBondContact O-CG 3.38Å; H580-L584 PolarHBondContact O-N 2.93Å; K582-L584 VanDerWaalsContact C-N 3.35Å; K582-L584 PolarHBondContact O-N 2.72Å; L584-I588 VanDerWaalsContact O-CB 3.28Å; L584-I588 WeakPolarHBondContact O-CB 3.24Å; L584-I588 WeakPolarHBondContact O-CD1 3.47Å; L584-I588 WeakPolarHBondContact O-CG1 3.4Å; L584-I588 PolarHBondContact O-N 3.01Å
585T84.9Confident83.5Confident79 Ų7999 Ų9949%0.48549%0.49SS..Hα-helixtrans-73.4-41.8175.6-57.60000111.1V581 K582 E583 I588 E589V581-T585 WeakPolarHBondContact O-CB 3Å; V581-T585 PolarHBondContact O-N 2.81Å; V581-T585 PolarHBondContact O-OG1 3.19Å; K582-T585 CarbonylContact O-C 3.55Å; K582-T585 WeakPolarHBondContact O-CA 3.49Å; K582-T585 WeakPolarHBondContact O-CB 3.41Å; K582-T585 PolarHBondContact O-N 3.19Å; E583-T585 VanDerWaalsContact C-N 3.31Å; E583-T585 PolarHBondContact O-N 3.29Å; T585-I588 PolarHBondContact O-N 3.46Å; T585-E589 WeakPolarHBondContact O-CB 3.27Å; T585-E589 PolarHBondContact O-N 3.46Å
586D87.8Confident83.9Confident87 Ų8799.4 Ų99.447%0.46550%0.495SS..Hα-helixtrans-64.1-42.3174.5-66.3-23.5000110.1K582 E583 E589 E590K582-D586 IonicContact NZ-OD1 3.39Å; K582-D586 PolarHBondContact NZ-OD1 3.48Å; K582-D586 IonicContact NZ-OD2 2.66Å; K582-D586 PolarHBondContact NZ-OD2 2.85Å; K582-D586 PolarHBondContact O-N 3.45Å; E583-D586 PolarHBondContact O-N 3.02Å; D586-E589 PolarHBondContact O-N 2.95Å; D586-E590 PolarHBondContact O-N 3.09Å
587E87.1Confident84.3Confident112 Ų112100.4 Ų100.452%0.52349%0.488SS..Hα-helixtrans-62.9-45.4172.3-77.4-168.4160.300112.6E583 E589 E590 V591E583-E587 WeakPolarHBondContact O-CG 3.14Å; E583-E587 PolarHBondContact O-N 2.88Å; E587-E589 VanDerWaalsContact C-N 3.29Å; E587-E589 PolarHBondContact O-N 3.4Å; E587-E590 PolarHBondContact O-N 3.22Å; E587-V591 WeakPolarHBondContact O-CB 3.29Å; E587-V591 WeakPolarHBondContact O-CG2 3.33Å; E587-V591 PolarHBondContact O-N 3.47Å
588I83.8Confident84.4Confident105 Ų10595 Ų9554%0.53848%0.475SS..Hα-helixtrans-61.5-39.7177.3-77.9167.1000110.6L584 T585 V591 R592L584-I588 VanDerWaalsContact O-CB 3.28Å; L584-I588 WeakPolarHBondContact O-CB 3.24Å; L584-I588 WeakPolarHBondContact O-CD1 3.47Å; L584-I588 WeakPolarHBondContact O-CG1 3.4Å; L584-I588 PolarHBondContact O-N 3.01Å; T585-I588 PolarHBondContact O-N 3.46Å; I588-V591 PolarHBondContact O-N 3.46Å; I588-R592 HydrophobicContact CG2-CG 4.42Å; I588-R592 WeakPolarHBondContact O-CB 3.33Å; I588-R592 WeakPolarHBondContact O-CG 3.41Å; I588-R592 PolarHBondContact O-N 3.22Å
589E84.3Confident84.6Confident69 Ų6996 Ų9632%0.32248%0.478SS..Hα-helixtrans-73.6-36.5179.1-173.949.2-145.800112.3T585 D586 E587 V591 R592 Q593T585-E589 WeakPolarHBondContact O-CB 3.27Å; T585-E589 PolarHBondContact O-N 3.46Å; D586-E589 PolarHBondContact O-N 2.95Å; E587-E589 VanDerWaalsContact C-N 3.29Å; E587-E589 PolarHBondContact O-N 3.4Å; E589-V591 VanDerWaalsContact C-N 3.35Å; E589-V591 PolarHBondContact O-N 3.26Å; E589-R592 PolarHBondContact O-N 3.34Å; E589-R592 IonicContact OE2-CZ 3.66Å; E589-R592 IonicContact OE2-NH1 2.71Å; E589-R592 PolarHBondContact OE2-NH1 3.17Å; E589-Q593 WeakPolarHBondContact O-CG 3.4Å; E589-Q593 PolarHBondContact O-N 2.97Å; E589-Q593 WeakPolarHBondContact OE1-CG 3.36Å; E589-Q593 PolarHBondContact OE1-NE2 2.88Å
590E86.3Confident84.6Confident135 Ų13596 Ų9663%0.63147%0.474SS*.Hα-helixtrans-60.6-43.9169.2-176.6169.7-160.600111.4D586 E587 R592 Q593 E594D586-E590 PolarHBondContact O-N 3.09Å; E587-E590 PolarHBondContact O-N 3.22Å; E590-R592 PolarHBondContact O-N 3.33Å; E590-Q593 PolarHBondContact O-N 2.67Å; E590-E594 PolarHBondContact O-N 3.44Å
591V86.1Confident84.5Confident99 Ų9998.2 Ų98.260%0.648%0.479SS*.Hα-helixtrans-64.7-38.2175.9169.90000111.9E587 I588 E589 L595E587-V591 WeakPolarHBondContact O-CB 3.29Å; E587-V591 WeakPolarHBondContact O-CG2 3.33Å; E587-V591 PolarHBondContact O-N 3.47Å; I588-V591 PolarHBondContact O-N 3.46Å; E589-V591 VanDerWaalsContact C-N 3.35Å; E589-V591 PolarHBondContact O-N 3.26Å; V591-L595 VanDerWaalsContact O-CB 3.24Å; V591-L595 WeakPolarHBondContact O-CB 3.43Å; V591-L595 PolarHBondContact O-N 2.96Å
592R86.9Confident84.3Confident147 Ų14799.8 Ų99.856%0.55548%0.481SS*.Hα-helixtrans-65.1-42.7174.7-73.9166.694.1-134.29.9111.4I588 E589 E590 L595 T596I588-R592 HydrophobicContact CG2-CG 4.42Å; I588-R592 WeakPolarHBondContact O-CB 3.33Å; I588-R592 WeakPolarHBondContact O-CG 3.41Å; I588-R592 PolarHBondContact O-N 3.22Å; E589-R592 PolarHBondContact O-N 3.34Å; E589-R592 IonicContact OE2-CZ 3.66Å; E589-R592 IonicContact OE2-NH1 2.71Å; E589-R592 PolarHBondContact OE2-NH1 3.17Å; E590-R592 PolarHBondContact O-N 3.33Å; R592-L595 PolarHBondContact O-N 2.89Å; R592-T596 PolarHBondContact O-N 3.06Å; R592-T596 PolarHBondContact O-OG1 3.27Å
593Q87Confident84.2Confident82 Ų8299.3 Ų99.338%0.38348%0.483SS..Hα-helixtrans-67-41.5176.5-69.7176.225.700112.4E589 E590 L595 T596 R597E589-Q593 WeakPolarHBondContact O-CG 3.4Å; E589-Q593 PolarHBondContact O-N 2.97Å; E589-Q593 WeakPolarHBondContact OE1-CG 3.36Å; E589-Q593 PolarHBondContact OE1-NE2 2.88Å; E590-Q593 PolarHBondContact O-N 2.67Å; Q593-L595 VanDerWaalsContact C-N 3.32Å; Q593-L595 PolarHBondContact O-N 2.97Å; Q593-T596 PolarHBondContact O-N 3.23Å; Q593-R597 WeakPolarHBondContact O-CG 3.43Å; Q593-R597 PolarHBondContact O-N 2.91Å
594E81Confident84.1Confident83 Ų8399.5 Ų99.539%0.38849%0.486SS..Hα-helixtrans-70.3-30177.3-16459.1-156.900112E590 R597 A598 R601E590-E594 PolarHBondContact O-N 3.44Å; E594-R597 PolarHBondContact O-N 3.4Å; E594-R597 WeakPolarHBondContact OE2-CD 3.4Å; E594-R597 IonicContact OE2-CZ 3.68Å; E594-R597 IonicContact OE2-NE 3.95Å; E594-R597 IonicContact OE2-NH1 2.73Å; E594-R597 PolarHBondContact OE2-NH1 3.42Å; E594-A598 WeakPolarHBondContact O-CB 3.48Å; E594-A598 PolarHBondContact O-N 3.3Å; E594-R601 IonicContact OE1-CZ 3.99Å; E594-R601 IonicContact OE1-NH1 3.21Å; E594-R601 PolarHBondContact OE1-NH1 3.3Å; E594-R601 IonicContact OE1-NH2 3.75Å; E594-R601 PolarHBondContact OE1-NH2 2.8Å
595L82.7Confident83.9Confident95 Ų95100.3 Ų100.350%0.49749%0.491SS..Hα-helixtrans-64.9-41.1168.1179.464.4000112.1V591 R592 Q593 A598 K599V591-L595 VanDerWaalsContact O-CB 3.24Å; V591-L595 WeakPolarHBondContact O-CB 3.43Å; V591-L595 PolarHBondContact O-N 2.96Å; R592-L595 PolarHBondContact O-N 2.89Å; Q593-L595 VanDerWaalsContact C-N 3.32Å; Q593-L595 PolarHBondContact O-N 2.97Å; L595-A598 WeakPolarHBondContact O-CB 3.32Å; L595-A598 PolarHBondContact O-N 2.99Å; L595-K599 PolarHBondContact O-N 3.22Å
596T83.7Confident83.9Confident79 Ų79102.1 Ų102.149%0.48549%0.494SS..Hα-helixtrans-62.4-48.2173.2-61.60000110.8R592 Q593 A598 K599 E600R592-T596 PolarHBondContact O-N 3.06Å; R592-T596 PolarHBondContact O-OG1 3.27Å; Q593-T596 PolarHBondContact O-N 3.23Å; T596-A598 PolarHBondContact O-N 3.38Å; T596-K599 PolarHBondContact O-N 3.14Å; T596-K599 VanDerWaalsContact O-N 3.12Å; T596-E600 WeakPolarHBondContact O-CG 3.46Å; T596-E600 PolarHBondContact O-N 3.33Å
597R85.8Confident83.6Confident96 Ų96102.5 Ų102.536%0.36249%0.493SS..Hα-helixtrans-61.2-29.4173.7-64.5175.2-155.4119.76.6112.4Q593 E594 R601Q593-R597 WeakPolarHBondContact O-CG 3.43Å; Q593-R597 PolarHBondContact O-N 2.91Å; E594-R597 PolarHBondContact O-N 3.4Å; E594-R597 WeakPolarHBondContact OE2-CD 3.4Å; E594-R597 IonicContact OE2-CZ 3.68Å; E594-R597 IonicContact OE2-NE 3.95Å; E594-R597 IonicContact OE2-NH1 2.73Å; E594-R597 PolarHBondContact OE2-NH1 3.42Å; R597-R601 WeakPolarHBondContact O-CB 3.49Å; R597-R601 WeakPolarHBondContact O-CG 3.41Å; R597-R601 PolarHBondContact O-N 3.4Å; R597-R601 PolarHBondContact O-NE 3.43Å; R597-R601 PolarHBondContact O-NH2 3.03Å
598A82Confident83.4Confident42 Ų42102 Ų10235%0.34749%0.49SS..Hα-helixtrans-69.9-46173.600000111.4E594 L595 T596 E600 R601 E602E594-A598 WeakPolarHBondContact O-CB 3.48Å; E594-A598 PolarHBondContact O-N 3.3Å; L595-A598 WeakPolarHBondContact O-CB 3.32Å; L595-A598 PolarHBondContact O-N 2.99Å; T596-A598 PolarHBondContact O-N 3.38Å; A598-E600 PolarHBondContact O-N 2.91Å; A598-R601 WeakPolarHBondContact O-CB 3.22Å; A598-R601 PolarHBondContact O-N 3.31Å; A598-E602 WeakPolarHBondContact O-CB 3.45Å; A598-E602 PolarHBondContact O-N 2.91Å
599K83.9Confident83.4Confident117 Ų117101 Ų10151%0.50949%0.485SS..Hα-helixtrans-61.5-39.6174.4-72.6-179.4176.2-175.90112.8L595 T596 E602 I603L595-K599 PolarHBondContact O-N 3.22Å; T596-K599 PolarHBondContact O-N 3.14Å; T596-K599 VanDerWaalsContact O-N 3.12Å; K599-E602 WeakPolarHBondContact O-CB 3.48Å; K599-E602 PolarHBondContact O-N 2.99Å; K599-I603 WeakPolarHBondContact O-CB 3.34Å; K599-I603 VanDerWaalsContact O-CG1 3.29Å; K599-I603 WeakPolarHBondContact O-CG1 3.09Å; K599-I603 PolarHBondContact O-N 3.39Å
600E82Confident83.4Confident109 Ų109102.4 Ų102.451%0.50950%0.499SS..Hα-helixtrans-61-44.6172.7-71176.2158.500111.8T596 A598 E602 I603 I604T596-E600 WeakPolarHBondContact O-CG 3.46Å; T596-E600 PolarHBondContact O-N 3.33Å; A598-E600 PolarHBondContact O-N 2.91Å; E600-E602 VanDerWaalsContact C-N 3.29Å; E600-E602 PolarHBondContact O-N 3.31Å; E600-I603 PolarHBondContact O-N 3.28Å; E600-I604 WeakPolarHBondContact O-CB 3.27Å; E600-I604 WeakPolarHBondContact O-CD1 3.2Å; E600-I604 WeakPolarHBondContact O-CG1 3.45Å; E600-I604 PolarHBondContact O-N 2.92Å
601R81.6Confident83.2Confident136 Ų136102.9 Ų102.951%0.51349%0.494SS..Hα-helixtrans-63.9-33.5175.3-77.5173.5-73.7-164.1-0.2112.1E594 R597 A598 N605E594-R601 IonicContact OE1-CZ 3.99Å; E594-R601 IonicContact OE1-NH1 3.21Å; E594-R601 PolarHBondContact OE1-NH1 3.3Å; E594-R601 IonicContact OE1-NH2 3.75Å; E594-R601 PolarHBondContact OE1-NH2 2.8Å; R597-R601 WeakPolarHBondContact O-CB 3.49Å; R597-R601 WeakPolarHBondContact O-CG 3.41Å; R597-R601 PolarHBondContact O-N 3.4Å; R597-R601 PolarHBondContact O-NE 3.43Å; R597-R601 PolarHBondContact O-NH2 3.03Å; A598-R601 WeakPolarHBondContact O-CB 3.22Å; A598-R601 PolarHBondContact O-N 3.31Å; R601-N605 VanDerWaalsContact O-CB 3.28Å; R601-N605 WeakPolarHBondContact O-CB 3.42Å; R601-N605 PolarHBondContact O-N 3.3Å; R601-N605 VanDerWaalsContact O-N 3.16Å
602E80.1Confident83Confident122 Ų122102.3 Ų102.357%0.5749%0.488SS*.Hα-helixtrans-68.8-53.1174.4-172.4163.8-130.800111.5A598 K599 E600 I604 N605 E606A598-E602 WeakPolarHBondContact O-CB 3.45Å; A598-E602 PolarHBondContact O-N 2.91Å; K599-E602 WeakPolarHBondContact O-CB 3.48Å; K599-E602 PolarHBondContact O-N 2.99Å; E600-E602 VanDerWaalsContact C-N 3.29Å; E600-E602 PolarHBondContact O-N 3.31Å; E602-I604 VanDerWaalsContact C-N 3.34Å; E602-I604 PolarHBondContact O-N 3.1Å; E602-N605 CarbonylContact O-C 3.58Å; E602-N605 WeakPolarHBondContact O-CA 3.49Å; E602-N605 WeakPolarHBondContact O-CB 3.23Å; E602-N605 PolarHBondContact O-N 3.28Å; E602-E606 PolarHBondContact O-N 3.08Å
603I82.8Confident82.8Confident111 Ų11198.1 Ų98.157%0.56948%0.481SS*.Hα-helixtrans-58.2-43.7177.5-67.7163.9000111.4K599 E600 N605 E606 E607K599-I603 WeakPolarHBondContact O-CB 3.34Å; K599-I603 VanDerWaalsContact O-CG1 3.29Å; K599-I603 WeakPolarHBondContact O-CG1 3.09Å; K599-I603 PolarHBondContact O-N 3.39Å; E600-I603 PolarHBondContact O-N 3.28Å; I603-N605 VanDerWaalsContact C-N 3.26Å; I603-N605 PolarHBondContact O-N 3.46Å; I603-E606 PolarHBondContact O-N 3.45Å; I603-E607 WeakPolarHBondContact O-CB 3.42Å; I603-E607 PolarHBondContact O-N 3.23Å
604I81.6Confident82.6Confident113 Ų11395.8 Ų95.858%0.57948%0.478SS*.Hα-helixtrans-63.2-35.2176-70.6166.9000111E600 E602 H608E600-I604 WeakPolarHBondContact O-CB 3.27Å; E600-I604 WeakPolarHBondContact O-CD1 3.2Å; E600-I604 WeakPolarHBondContact O-CG1 3.45Å; E600-I604 PolarHBondContact O-N 2.92Å; E602-I604 VanDerWaalsContact C-N 3.34Å; E602-I604 PolarHBondContact O-N 3.1Å; I604-H608 WeakPolarHBondContact O-CB 3.41Å; I604-H608 PolarHBondContact O-N 3.31Å
605N81.7Confident82.7Confident88 Ų8895.6 Ų95.647%0.47148%0.483SS..Hα-helixtrans-74.4-40.4177.1-171.952.4000112.1R601 E602 I603 H608 I609R601-N605 VanDerWaalsContact O-CB 3.28Å; R601-N605 WeakPolarHBondContact O-CB 3.42Å; R601-N605 PolarHBondContact O-N 3.3Å; R601-N605 VanDerWaalsContact O-N 3.16Å; E602-N605 CarbonylContact O-C 3.58Å; E602-N605 WeakPolarHBondContact O-CA 3.49Å; E602-N605 WeakPolarHBondContact O-CB 3.23Å; E602-N605 PolarHBondContact O-N 3.28Å; I603-N605 VanDerWaalsContact C-N 3.26Å; I603-N605 PolarHBondContact O-N 3.46Å; N605-H608 PolarHBondContact O-N 3.07Å; N605-I609 WeakPolarHBondContact O-CB 3.49Å; N605-I609 WeakPolarHBondContact O-CD1 3.49Å; N605-I609 VanDerWaalsContact O-CG1 3.22Å; N605-I609 WeakPolarHBondContact O-CG1 3.21Å; N605-I609 PolarHBondContact O-N 3.41Å
606E83.4Confident82.8Confident118 Ų11894.4 Ų94.455%0.55148%0.48SS*.Hα-helixtrans-62.4-43.5172.3-70.9-165138.600112E602 I603 H608 I609 T610E602-E606 PolarHBondContact O-N 3.08Å; I603-E606 PolarHBondContact O-N 3.45Å; E606-H608 VanDerWaalsContact C-N 3.33Å; E606-H608 PolarHBondContact O-N 3.29Å; E606-I609 PolarHBondContact O-N 3.2Å; E606-T610 WeakPolarHBondContact O-CB 3.41Å; E606-T610 PolarHBondContact O-N 3.48Å; E606-T610 PolarHBondContact O-OG1 3.27Å
607E82Confident82.9Confident95 Ų9595.3 Ų95.344%0.44448%0.481SS..Hα-helixtrans-66.1-38.4176.1-152.2-148.1160.100110.9I603 T610 R611I603-E607 WeakPolarHBondContact O-CB 3.42Å; I603-E607 PolarHBondContact O-N 3.23Å; E607-T610 PolarHBondContact O-N 3.42Å; E607-R611 VanDerWaalsContact CD-NE 3.27Å; E607-R611 WeakPolarHBondContact O-CB 3.41Å; E607-R611 WeakPolarHBondContact O-CD 3.23Å; E607-R611 WeakPolarHBondContact O-CG 3.38Å; E607-R611 PolarHBondContact O-N 2.83Å; E607-R611 IonicContact OE1-CZ 2.71Å; E607-R611 IonicContact OE1-NE 3.92Å; E607-R611 PolarHBondContact OE1-NE 2.92Å; E607-R611 IonicContact OE1-NH2 3.67Å; E607-R611 PolarHBondContact OE1-NH2 3.31Å; E607-R611 IonicContact OE2-CZ 2.76Å; E607-R611 IonicContact OE2-NE 2.9Å; E607-R611 IonicContact OE2-NH1 2.72Å; E607-R611 IonicContact OE2-NH2 3.92Å; E607-R611 PolarHBondContact OE2-NH2 3.23Å
608H84Confident82.9Confident101 Ų10197.9 Ų97.947%0.46850%0.495SS..Hα-helixtrans-64.3-44174.3-177.2-117.6000112.1I604 N605 E606 R611 L612I604-H608 WeakPolarHBondContact O-CB 3.41Å; I604-H608 PolarHBondContact O-N 3.31Å; N605-H608 PolarHBondContact O-N 3.07Å; E606-H608 VanDerWaalsContact C-N 3.33Å; E606-H608 PolarHBondContact O-N 3.29Å; H608-R611 PolarHBondContact O-N 2.98Å; H608-L612 WeakPolarHBondContact CE1-CD1 3.34Å; H608-L612 WeakPolarHBondContact O-CB 3.3Å; H608-L612 PolarHBondContact O-N 3.27Å
609I82.7Confident83Confident85 Ų85100.9 Ų100.944%0.43651%0.505SS..Hα-helixtrans-61.6-44.8174-72.2163.5000110.4N605 E606 L612 S613N605-I609 WeakPolarHBondContact O-CB 3.49Å; N605-I609 WeakPolarHBondContact O-CD1 3.49Å; N605-I609 VanDerWaalsContact O-CG1 3.22Å; N605-I609 WeakPolarHBondContact O-CG1 3.21Å; N605-I609 PolarHBondContact O-N 3.41Å; E606-I609 PolarHBondContact O-N 3.2Å; I609-L612 WeakPolarHBondContact O-CB 3.35Å; I609-L612 PolarHBondContact O-N 2.76Å; I609-L612 VanDerWaalsContact O-N 3.15Å; I609-S613 PolarHBondContact O-N 2.88Å; I609-S613 PolarHBondContact O-OG 2.86Å
610T84Confident83Confident98 Ų9899.9 Ų99.960%0.60151%0.505SS*.Hα-helixtrans-62.7-44.6178.4-57.90000111.8E606 E607 L612 S613 G614E606-T610 WeakPolarHBondContact O-CB 3.41Å; E606-T610 PolarHBondContact O-N 3.48Å; E606-T610 PolarHBondContact O-OG1 3.27Å; E607-T610 PolarHBondContact O-N 3.42Å; T610-L612 VanDerWaalsContact C-N 3.32Å; T610-L612 PolarHBondContact O-N 3.5Å; T610-S613 PolarHBondContact O-N 3.24Å; T610-G614 PolarHBondContact O-N 3.42Å
611R83.2Confident83.1Confident144 Ų144100.1 Ų100.154%0.54351%0.506SS..Hα-helixtrans-62.5-36.6173.2-70.7163.8178.5-179.60112.1E607 H608 T615E607-R611 VanDerWaalsContact CD-NE 3.27Å; E607-R611 WeakPolarHBondContact O-CB 3.41Å; E607-R611 WeakPolarHBondContact O-CD 3.23Å; E607-R611 WeakPolarHBondContact O-CG 3.38Å; E607-R611 PolarHBondContact O-N 2.83Å; E607-R611 IonicContact OE1-CZ 2.71Å; E607-R611 IonicContact OE1-NE 3.92Å; E607-R611 PolarHBondContact OE1-NE 2.92Å; E607-R611 IonicContact OE1-NH2 3.67Å; E607-R611 PolarHBondContact OE1-NH2 3.31Å; E607-R611 IonicContact OE2-CZ 2.76Å; E607-R611 IonicContact OE2-NE 2.9Å; E607-R611 IonicContact OE2-NH1 2.72Å; E607-R611 IonicContact OE2-NH2 3.92Å; E607-R611 PolarHBondContact OE2-NH2 3.23Å; H608-R611 PolarHBondContact O-N 2.98Å; R611-T615 WeakPolarHBondContact O-CB 3.27Å; R611-T615 PolarHBondContact O-N 3.42Å; R611-T615 PolarHBondContact O-OG1 2.8Å
612L80.6Confident83Confident88 Ų8897.9 Ų97.946%0.46150%0.501SS..Hα-helixtrans-66.5-51.1175-105.7143.9000111.4H608 I609 T610 G614 T615 V616H608-L612 WeakPolarHBondContact CE1-CD1 3.34Å; H608-L612 WeakPolarHBondContact O-CB 3.3Å; H608-L612 PolarHBondContact O-N 3.27Å; I609-L612 WeakPolarHBondContact O-CB 3.35Å; I609-L612 PolarHBondContact O-N 2.76Å; I609-L612 VanDerWaalsContact O-N 3.15Å; T610-L612 VanDerWaalsContact C-N 3.32Å; T610-L612 PolarHBondContact O-N 3.5Å; L612-G614 PolarHBondContact O-N 3.13Å; L612-T615 CarbonylContact O-C 3.58Å; L612-T615 WeakPolarHBondContact O-CA 3.27Å; L612-T615 WeakPolarHBondContact O-CB 3.42Å; L612-T615 PolarHBondContact O-N 3Å; L612-V616 WeakPolarHBondContact O-CG2 3.29Å; L612-V616 PolarHBondContact O-N 2.76Å
613S83Confident83Confident59 Ų5995.3 Ų95.341%0.41350%0.497SS..Hα-helixtrans-56.4-53.4178.3-570000111I609 T610 T615 V616 D617I609-S613 PolarHBondContact O-N 2.88Å; I609-S613 PolarHBondContact O-OG 2.86Å; T610-S613 PolarHBondContact O-N 3.24Å; S613-T615 PolarHBondContact O-N 3.49Å; S613-V616 WeakPolarHBondContact O-CA 3.32Å; S613-V616 PolarHBondContact O-N 3.49Å; S613-D617 VanDerWaalsContact O-CG 3.29Å; S613-D617 PolarHBondContact O-N 2.95Å
614G83.7Confident82.9Confident32 Ų3294.5 Ų94.533%0.3349%0.494SS..Hα-helixtrans-66.3-7.1176.300000115.4T610 L612 K618T610-G614 PolarHBondContact O-N 3.42Å; L612-G614 PolarHBondContact O-N 3.13Å; G614-K618 WeakPolarHBondContact O-CD 3.42Å; G614-K618 WeakPolarHBondContact O-CG 3.31Å
615T83Confident83Confident80 Ų8093.5 Ų93.549%0.49149%0.486SS..Hα-helixtrans-92.2-40.4167.6-59.30000111.3R611 L612 S613 K618 L619R611-T615 WeakPolarHBondContact O-CB 3.27Å; R611-T615 PolarHBondContact O-N 3.42Å; R611-T615 PolarHBondContact O-OG1 2.8Å; L612-T615 CarbonylContact O-C 3.58Å; L612-T615 WeakPolarHBondContact O-CA 3.27Å; L612-T615 WeakPolarHBondContact O-CB 3.42Å; L612-T615 PolarHBondContact O-N 3Å; S613-T615 PolarHBondContact O-N 3.49Å; T615-K618 PolarHBondContact O-N 3.47Å; T615-L619 HydrophobicContact CG2-CD1 4.27Å; T615-L619 WeakPolarHBondContact O-CG 3.48Å; T615-L619 PolarHBondContact O-N 2.76Å
616V84Confident83Confident69 Ų6997.2 Ų97.242%0.41849%0.494SS..Hα-helixtrans-62-45.6173.3171.60000110.6L612 S613 K618 L619 L620L612-V616 WeakPolarHBondContact O-CG2 3.29Å; L612-V616 PolarHBondContact O-N 2.76Å; S613-V616 WeakPolarHBondContact O-CA 3.32Å; S613-V616 PolarHBondContact O-N 3.49Å; V616-K618 VanDerWaalsContact C-N 3.29Å; V616-K618 PolarHBondContact O-N 3.34Å; V616-L619 CarbonylContact O-C 3.58Å; V616-L619 PolarHBondContact O-N 2.72Å; V616-L620 HydrophobicContact CG1-CD1 3.9Å; V616-L620 HydrophobicContact CG1-CG 4.27Å; V616-L620 WeakPolarHBondContact O-CG 3.37Å; V616-L620 PolarHBondContact O-N 2.7Å
617D85.8Confident83Confident98 Ų9896.8 Ų96.852%0.52450%0.495SS..Hα-helixtrans-59.1-40.1177.9-63.4-34000111.9S613 L620 Q621S613-D617 VanDerWaalsContact O-CG 3.29Å; S613-D617 PolarHBondContact O-N 2.95Å; D617-L620 PolarHBondContact O-N 3.01Å; D617-Q621 WeakPolarHBondContact O-CB 3.48Å; D617-Q621 PolarHBondContact O-N 3.1Å
618K86.4Confident83.1Confident150 Ų15098.7 Ų98.765%0.65250%0.504SS*.Hα-helixtrans-68.1-36.4174.8-76.5176.6-178.7165.60112.9G614 T615 V616 E622G614-K618 WeakPolarHBondContact O-CD 3.42Å; G614-K618 WeakPolarHBondContact O-CG 3.31Å; T615-K618 PolarHBondContact O-N 3.47Å; V616-K618 VanDerWaalsContact C-N 3.29Å; V616-K618 PolarHBondContact O-N 3.34Å; K618-E622 WeakPolarHBondContact O-CB 3.46Å; K618-E622 PolarHBondContact O-N 2.98Å
619L83.3Confident83.1Confident105 Ų10598.8 Ų98.855%0.5551%0.507SS..Hα-helixtrans-70.2-36.1174.8-71.4168.5000111.6T615 V616 S623T615-L619 HydrophobicContact CG2-CD1 4.27Å; T615-L619 WeakPolarHBondContact O-CG 3.48Å; T615-L619 PolarHBondContact O-N 2.76Å; V616-L619 CarbonylContact O-C 3.58Å; V616-L619 PolarHBondContact O-N 2.72Å; L619-S623 WeakPolarHBondContact O-CB 3.09Å; L619-S623 PolarHBondContact O-N 3.06Å
620L83.5Confident83Confident96 Ų9699.5 Ų99.550%0.50351%0.509SS..Hα-helixtrans-67.3-42.7172.8-70.4172.3000111.4V616 D617 S623 N624V616-L620 HydrophobicContact CG1-CD1 3.9Å; V616-L620 HydrophobicContact CG1-CG 4.27Å; V616-L620 WeakPolarHBondContact O-CG 3.37Å; V616-L620 PolarHBondContact O-N 2.7Å; D617-L620 PolarHBondContact O-N 3.01Å; L620-S623 PolarHBondContact O-N 3.12Å; L620-N624 WeakPolarHBondContact O-CB 3.49Å; L620-N624 PolarHBondContact O-N 3.21Å; L620-N624 PolarHBondContact O-ND2 3.4Å
621Q85.2Confident82.8Confident114 Ų11499.9 Ų99.953%0.53351%0.507SS..Hα-helixtrans-63.3-48.9173.8-176.9174.5-9.800111.5D617 S623 N624 E625D617-Q621 WeakPolarHBondContact O-CB 3.48Å; D617-Q621 PolarHBondContact O-N 3.1Å; Q621-S623 VanDerWaalsContact C-N 3.27Å; Q621-S623 PolarHBondContact O-N 2.64Å; Q621-N624 PolarHBondContact O-N 3.34Å; Q621-E625 HydrophobicContact CG-CG 4.38Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.48Å; Q621-E625 PolarHBondContact NE2-OE1 2.7Å; Q621-E625 WeakPolarHBondContact O-CB 3.42Å; Q621-E625 WeakPolarHBondContact O-CG 3.45Å; Q621-E625 PolarHBondContact O-N 3.34Å
622E79.4Confident82.8Confident89 Ų8998.9 Ų98.942%0.41651%0.508SS..Hα-helixtrans-62-36.4177.4-166.3-174.5162.200111.5K618 R626K618-E622 WeakPolarHBondContact O-CB 3.46Å; K618-E622 PolarHBondContact O-N 2.98Å; E622-R626 WeakPolarHBondContact O-CB 3.19Å; E622-R626 WeakPolarHBondContact O-CG 3.43Å; E622-R626 PolarHBondContact O-N 3.47Å; E622-R626 IonicContact OE1-CZ 3.98Å; E622-R626 VanDerWaalsContact OE1-CZ 3.22Å; E622-R626 IonicContact OE1-NE 2.6Å; E622-R626 PolarHBondContact OE1-NE 2.71Å; E622-R626 VanDerWaalsContact OE1-NE 3.13Å; E622-R626 IonicContact OE1-NH2 3.64Å; E622-R626 PolarHBondContact OE1-NH2 2.72Å
623S79.1Confident82.8Confident68 Ų68101.3 Ų101.348%0.47652%0.517SS..Hα-helixtrans-64.9-43.8174.2-171.90000111.9L619 L620 Q621 R626 L627L619-S623 WeakPolarHBondContact O-CB 3.09Å; L619-S623 PolarHBondContact O-N 3.06Å; L620-S623 PolarHBondContact O-N 3.12Å; Q621-S623 VanDerWaalsContact C-N 3.27Å; Q621-S623 PolarHBondContact O-N 2.64Å; S623-R626 PolarHBondContact O-N 3.5Å; S623-L627 WeakPolarHBondContact O-CB 3.39Å; S623-L627 PolarHBondContact O-N 3.04Å
624N81.8Confident82.6Confident95 Ų95105.6 Ų105.651%0.50852%0.524SS..Hα-helixtrans-69-41.8178.4-77.1-21000112.1L620 Q621 R626 L627 Q628L620-N624 WeakPolarHBondContact O-CB 3.49Å; L620-N624 PolarHBondContact O-N 3.21Å; L620-N624 PolarHBondContact O-ND2 3.4Å; Q621-N624 PolarHBondContact O-N 3.34Å; N624-R626 VanDerWaalsContact C-N 3.35Å; N624-R626 PolarHBondContact O-N 2.91Å; N624-L627 PolarHBondContact O-N 3.48Å; N624-Q628 WeakPolarHBondContact O-CB 3.08Å; N624-Q628 WeakPolarHBondContact O-CG 3.16Å; N624-Q628 PolarHBondContact O-N 3.38Å
625E82.9Confident82.3Confident91 Ų91108.7 Ų108.743%0.42553%0.531SS..Hα-helixtrans-62.9-41174.2-73.4178.2-163.800111.2Q621 Q628 N629Q621-E625 HydrophobicContact CG-CG 4.38Å; Q621-E625 WeakPolarHBondContact CG-OE1 3.48Å; Q621-E625 PolarHBondContact NE2-OE1 2.7Å; Q621-E625 WeakPolarHBondContact O-CB 3.42Å; Q621-E625 WeakPolarHBondContact O-CG 3.45Å; Q621-E625 PolarHBondContact O-N 3.34Å; E625-Q628 PolarHBondContact O-N 3.09Å; E625-N629 WeakPolarHBondContact O-CB 3.49Å; E625-N629 PolarHBondContact O-N 3.31Å; E625-N629 PolarHBondContact O-ND2 3.22Å
626R81.5Confident82.2Confident167 Ų167107.3 Ų107.363%0.6353%0.525SS*.Hα-helixtrans-62.9-41.9172.4-75.5171.9-179.1-149.84.1112.2E622 S623 N624 N629 H630E622-R626 WeakPolarHBondContact O-CB 3.19Å; E622-R626 WeakPolarHBondContact O-CG 3.43Å; E622-R626 PolarHBondContact O-N 3.47Å; E622-R626 IonicContact OE1-CZ 3.98Å; E622-R626 VanDerWaalsContact OE1-CZ 3.22Å; E622-R626 IonicContact OE1-NE 2.6Å; E622-R626 PolarHBondContact OE1-NE 2.71Å; E622-R626 VanDerWaalsContact OE1-NE 3.13Å; E622-R626 IonicContact OE1-NH2 3.64Å; E622-R626 PolarHBondContact OE1-NH2 2.72Å; S623-R626 PolarHBondContact O-N 3.5Å; N624-R626 VanDerWaalsContact C-N 3.35Å; N624-R626 PolarHBondContact O-N 2.91Å; R626-N629 PolarHBondContact O-N 3.39Å; R626-H630 WeakPolarHBondContact O-CB 3.49Å; R626-H630 PolarHBondContact O-N 3.04Å
627L85Confident81.9Confident109 Ų109106.5 Ų106.557%0.57153%0.526SS*.Hα-helixtrans-64.5-43.3178-176.562.4000111.7S623 N624 H630 L631S623-L627 WeakPolarHBondContact O-CB 3.39Å; S623-L627 PolarHBondContact O-N 3.04Å; N624-L627 PolarHBondContact O-N 3.48Å; L627-H630 PolarHBondContact O-N 2.91Å; L627-L631 WeakPolarHBondContact O-CB 3.36Å; L627-L631 PolarHBondContact O-N 2.92Å
628Q82.9Confident81.4Confident135 Ų135106.5 Ų106.563%0.63153%0.525SS*.Hα-helixtrans-63-45.5175.4-74.7179.4-7.100112N624 E625 L631 Q632N624-Q628 WeakPolarHBondContact O-CB 3.08Å; N624-Q628 WeakPolarHBondContact O-CG 3.16Å; N624-Q628 PolarHBondContact O-N 3.38Å; E625-Q628 PolarHBondContact O-N 3.09Å; Q628-L631 PolarHBondContact O-N 2.82Å; Q628-Q632 WeakPolarHBondContact O-CB 3.29Å; Q628-Q632 PolarHBondContact O-N 3.04Å
629N83.6Confident81.1Confident102 Ų102105.6 Ų105.655%0.54552%0.523SS..Hα-helixtrans-61.2-45.5175.8-78.5-69000111.6E625 R626 L631 Q632 E633E625-N629 WeakPolarHBondContact O-CB 3.49Å; E625-N629 PolarHBondContact O-N 3.31Å; E625-N629 PolarHBondContact O-ND2 3.22Å; R626-N629 PolarHBondContact O-N 3.39Å; N629-L631 VanDerWaalsContact C-N 3.33Å; N629-L631 PolarHBondContact O-N 3.41Å; N629-Q632 PolarHBondContact O-N 3.02Å; N629-E633 WeakPolarHBondContact O-CG 3.38Å; N629-E633 PolarHBondContact O-N 3.23Å
630H80.6Confident81Confident101 Ų101106.6 Ų106.647%0.46853%0.525SS..Hα-helixtrans-64.4-35.8177.3-175.4-105.4000112.7R626 L627 R634R626-H630 WeakPolarHBondContact O-CB 3.49Å; R626-H630 PolarHBondContact O-N 3.04Å; L627-H630 PolarHBondContact O-N 2.91Å; H630-R634 VanDerWaalsContact O-CB 3.31Å; H630-R634 WeakPolarHBondContact O-CB 3.41Å; H630-R634 PolarHBondContact O-N 3.27Å
631L81Confident80.9Confident106 Ų106108.1 Ų108.156%0.55553%0.528SS*.Hα-helixtrans-67-43.5173.9-166.872.4000111.4L627 Q628 N629 R634 M635L627-L631 WeakPolarHBondContact O-CB 3.36Å; L627-L631 PolarHBondContact O-N 2.92Å; Q628-L631 PolarHBondContact O-N 2.82Å; N629-L631 VanDerWaalsContact C-N 3.33Å; N629-L631 PolarHBondContact O-N 3.41Å; L631-R634 PolarHBondContact O-N 3.12Å; L631-M635 WeakPolarHBondContact O-CG 3.46Å; L631-M635 PolarHBondContact O-N 3.42Å
632Q83.4Confident80.7Confident123 Ų123109 Ų10958%0.57553%0.531SS*.Hα-helixtrans-64.4-42.2177.5-172.66517.100112.1Q628 N629 R634 M635 S636Q628-Q632 WeakPolarHBondContact O-CB 3.29Å; Q628-Q632 PolarHBondContact O-N 3.04Å; N629-Q632 PolarHBondContact O-N 3.02Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; Q632-M635 PolarHBondContact O-N 3.4Å; Q632-S636 PolarHBondContact O-N 2.9Å
633E80.9Confident81Confident139 Ų139109.1 Ų109.165%0.6554%0.535SS*.Hα-helixtrans-62.8-40.3172.5-73.5-176.6169.400111.4N629 S636 A637N629-E633 WeakPolarHBondContact O-CG 3.38Å; N629-E633 PolarHBondContact O-N 3.23Å; E633-S636 PolarHBondContact O-N 3.44Å; E633-A637 WeakPolarHBondContact O-CB 3.4Å; E633-A637 PolarHBondContact O-N 2.98Å
634R78.3Confident80.9Confident149 Ų149109.5 Ų109.556%0.56253%0.531SS*.Hα-helixtrans-64.7-39.9175-174.6174.2175.9126.9-5.1112.5H630 L631 Q632 A637 L638H630-R634 VanDerWaalsContact O-CB 3.31Å; H630-R634 WeakPolarHBondContact O-CB 3.41Å; H630-R634 PolarHBondContact O-N 3.27Å; L631-R634 PolarHBondContact O-N 3.12Å; Q632-R634 VanDerWaalsContact C-N 3.34Å; R634-A637 PolarHBondContact O-N 2.81Å; R634-L638 HydrophobicContact CG-CD1 4.3Å; R634-L638 VanDerWaalsContact O-CG 3.29Å; R634-L638 WeakPolarHBondContact O-CG 3.37Å; R634-L638 PolarHBondContact O-N 3.39Å
635M77Confident80.8Confident97 Ų97108.5 Ų108.548%0.47853%0.532SS..Hα-helixtrans-65.2-48.6174.3-62.8-145.8-54.500111.3L631 Q632 A637 L638 E639L631-M635 WeakPolarHBondContact O-CG 3.46Å; L631-M635 PolarHBondContact O-N 3.42Å; Q632-M635 PolarHBondContact O-N 3.4Å; M635-A637 PolarHBondContact O-N 3.27Å; M635-L638 PolarHBondContact O-N 3.13Å; M635-E639 PolarHBondContact O-N 2.71Å
636S80.8Confident80.7Confident50 Ų50109.1 Ų109.135%0.3554%0.538SS..Hα-helixtrans-59.1-32.6175.7175.20000112.8Q632 E633 Q640Q632-S636 PolarHBondContact O-N 2.9Å; E633-S636 PolarHBondContact O-N 3.44Å; S636-Q640 WeakPolarHBondContact O-CG 3.41Å; S636-Q640 PolarHBondContact O-N 3.29Å
637A77Confident80.7Confident53 Ų53105.2 Ų105.244%0.43853%0.527SS..Hα-helixtrans-73.9-34.2175.700000112.4E633 R634 M635 K641E633-A637 WeakPolarHBondContact O-CB 3.4Å; E633-A637 PolarHBondContact O-N 2.98Å; R634-A637 PolarHBondContact O-N 2.81Å; M635-A637 PolarHBondContact O-N 3.27Å; A637-K641 WeakPolarHBondContact O-CB 3.27Å; A637-K641 PolarHBondContact O-N 2.83Å
638L76.8Confident80.4Confident97 Ų97103.7 Ų103.751%0.50852%0.522SS..Hα-helixtrans-69.3-42.2175-73.4167.5000112R634 M635 K641 Q642R634-L638 HydrophobicContact CG-CD1 4.3Å; R634-L638 VanDerWaalsContact O-CG 3.29Å; R634-L638 WeakPolarHBondContact O-CG 3.37Å; R634-L638 PolarHBondContact O-N 3.39Å; M635-L638 PolarHBondContact O-N 3.13Å; L638-K641 PolarHBondContact O-N 2.94Å; L638-Q642 PolarHBondContact O-N 2.99Å
639E79.9Confident80.1Confident131 Ų131100.6 Ų100.661%0.61251%0.507SS*.Hα-helixtrans-59.6-45.1172.4-69.8176.1167.200111.6M635 Q642 N643M635-E639 PolarHBondContact O-N 2.71Å; E639-Q642 PolarHBondContact O-N 3.34Å; E639-N643 WeakPolarHBondContact O-CB 3.41Å; E639-N643 PolarHBondContact O-N 2.98Å
640Q80.4Confident80Confident126 Ų126102.5 Ų102.559%0.58951%0.513SS*.Hα-helixtrans-63.1-41.7174.9-75.9-178.50.700112S636 Q642 N643 L644S636-Q640 WeakPolarHBondContact O-CG 3.41Å; S636-Q640 PolarHBondContact O-N 3.29Å; Q640-Q642 PolarHBondContact O-N 3.36Å; Q640-N643 PolarHBondContact O-N 3.42Å; Q640-L644 WeakPolarHBondContact O-CB 2.94Å; Q640-L644 VanDerWaalsContact O-CG 3.31Å; Q640-L644 WeakPolarHBondContact O-CG 3.38Å; Q640-L644 PolarHBondContact O-N 2.92Å
641K81.1Confident79.9Confident129 Ų129100.2 Ų100.256%0.56150%0.504SS*.Hα-helixtrans-60.6-42.7174.4-175.8-176.4176.8-174.70111.7A637 L638 L644 S645A637-K641 WeakPolarHBondContact O-CB 3.27Å; A637-K641 PolarHBondContact O-N 2.83Å; L638-K641 PolarHBondContact O-N 2.94Å; K641-L644 PolarHBondContact O-N 3.43Å; K641-S645 WeakPolarHBondContact O-CB 3.32Å; K641-S645 PolarHBondContact O-N 2.88Å
642Q81.9Confident79.9Confident131 Ų131100.2 Ų100.261%0.61250%0.499SS*.Hα-helixtrans-64.5-44.1178.1-171178.88.200111.5L638 E639 Q640 S645 N646L638-Q642 PolarHBondContact O-N 2.99Å; E639-Q642 PolarHBondContact O-N 3.34Å; Q640-Q642 PolarHBondContact O-N 3.36Å; Q642-S645 PolarHBondContact O-N 3.43Å; Q642-N646 PolarHBondContact O-N 2.95Å
643N84.7Confident79.8Confident92 Ų92101.5 Ų101.549%0.49250%0.499SS..Hα-helixtrans-63.5-45.9176.7-167.3-14.4000111.7E639 Q640 S645 N646 Q647E639-N643 WeakPolarHBondContact O-CB 3.41Å; E639-N643 PolarHBondContact O-N 2.98Å; Q640-N643 PolarHBondContact O-N 3.42Å; N643-S645 VanDerWaalsContact C-N 3.35Å; N643-S645 PolarHBondContact O-N 3.33Å; N643-N646 PolarHBondContact O-N 3Å; N643-Q647 WeakPolarHBondContact O-CG 3.5Å; N643-Q647 PolarHBondContact O-N 2.76Å; N643-Q647 PolarHBondContact OD1-NE2 2.76Å
644L76.4Confident79.8Confident76 Ų7697.5 Ų97.540%0.39849%0.49SS..Hα-helixtrans-61.9-40174.4-72.2170.1000112.1Q640 K641 N646 Q647 V648Q640-L644 WeakPolarHBondContact O-CB 2.94Å; Q640-L644 VanDerWaalsContact O-CG 3.31Å; Q640-L644 WeakPolarHBondContact O-CG 3.38Å; Q640-L644 PolarHBondContact O-N 2.92Å; K641-L644 PolarHBondContact O-N 3.43Å; L644-N646 VanDerWaalsContact C-N 3.33Å; L644-N646 PolarHBondContact O-N 3.12Å; L644-Q647 PolarHBondContact O-N 3.4Å; L644-V648 WeakPolarHBondContact O-CB 3.43Å; L644-V648 VanDerWaalsContact O-CG2 3.31Å; L644-V648 WeakPolarHBondContact O-CG2 3.41Å; L644-V648 PolarHBondContact O-N 3Å
645S79.8Confident79.7Confident75 Ų7593.1 Ų93.152%0.52448%0.477SS..Hα-helixtrans-61.3-40.5175.7-166.30000112.2K641 Q642 N643 V648 E649K641-S645 WeakPolarHBondContact O-CB 3.32Å; K641-S645 PolarHBondContact O-N 2.88Å; Q642-S645 PolarHBondContact O-N 3.43Å; N643-S645 VanDerWaalsContact C-N 3.35Å; N643-S645 PolarHBondContact O-N 3.33Å; S645-V648 PolarHBondContact O-N 2.99Å; S645-E649 WeakPolarHBondContact O-CB 3.33Å; S645-E649 PolarHBondContact O-N 2.86Å
646N82.3Confident79.7Confident103 Ų10392.7 Ų92.755%0.55147%0.474SS*.Hα-helixtrans-66.7-40.2175.5-69.7-14.8000111.8Q642 N643 L644 E649 Q650Q642-N646 PolarHBondContact O-N 2.95Å; N643-N646 PolarHBondContact O-N 3Å; L644-N646 VanDerWaalsContact C-N 3.33Å; L644-N646 PolarHBondContact O-N 3.12Å; N646-E649 PolarHBondContact O-N 3.23Å; N646-Q650 WeakPolarHBondContact O-CB 3.31Å; N646-Q650 PolarHBondContact O-N 3.31Å
647Q81.6Confident79.7Confident86 Ų8693.2 Ų93.240%0.40248%0.475SS..Hα-helixtrans-66.6-40.1175.7-69.9176.444.500112.2N643 L644 Q650 I651N643-Q647 WeakPolarHBondContact O-CG 3.5Å; N643-Q647 PolarHBondContact O-N 2.76Å; N643-Q647 PolarHBondContact OD1-NE2 2.76Å; L644-Q647 PolarHBondContact O-N 3.4Å; Q647-Q650 PolarHBondContact O-N 2.98Å; Q647-I651 WeakPolarHBondContact O-CB 3.24Å; Q647-I651 VanDerWaalsContact O-CG1 3.24Å; Q647-I651 WeakPolarHBondContact O-CG1 3.44Å; Q647-I651 PolarHBondContact O-N 3.32Å
648V77.2Confident79.7Confident76 Ų7693.1 Ų93.146%0.46147%0.474SS..Hα-helixtrans-62.1-45.6175.2167.80000111L644 S645 Q650 I651 K652L644-V648 WeakPolarHBondContact O-CB 3.43Å; L644-V648 VanDerWaalsContact O-CG2 3.31Å; L644-V648 WeakPolarHBondContact O-CG2 3.41Å; L644-V648 PolarHBondContact O-N 3Å; S645-V648 PolarHBondContact O-N 2.99Å; V648-Q650 PolarHBondContact O-N 3.05Å; V648-I651 PolarHBondContact O-N 2.92Å; V648-K652 VanDerWaalsContact O-CB 3.26Å; V648-K652 WeakPolarHBondContact O-CB 3.44Å; V648-K652 PolarHBondContact O-N 3.27Å
649E77Confident79.8Confident70 Ų7092.2 Ų92.233%0.32747%0.469SS..Hα-helixtrans-64.8-38176.5178.361.3-170.100112.1S645 N646 R653S645-E649 WeakPolarHBondContact O-CB 3.33Å; S645-E649 PolarHBondContact O-N 2.86Å; N646-E649 PolarHBondContact O-N 3.23Å; E649-R653 WeakPolarHBondContact O-CG 3.37Å; E649-R653 PolarHBondContact O-N 2.84Å; E649-R653 IonicContact OE1-CZ 3.72Å; E649-R653 IonicContact OE1-NE 3.74Å; E649-R653 PolarHBondContact OE1-NE 3.35Å; E649-R653 IonicContact OE1-NH2 2.71Å; E649-R653 PolarHBondContact OE1-NH2 3Å
650Q82.3Confident79.8Confident143 Ų14393.2 Ų93.267%0.66847%0.467SS*.Hα-helixtrans-65.1-45.2174.3-171.7177.813.600112.2N646 Q647 V648 R653 A654N646-Q650 WeakPolarHBondContact O-CB 3.31Å; N646-Q650 PolarHBondContact O-N 3.31Å; Q647-Q650 PolarHBondContact O-N 2.98Å; V648-Q650 PolarHBondContact O-N 3.05Å; Q650-R653 PolarHBondContact O-N 3.19Å; Q650-A654 WeakPolarHBondContact O-CB 3.36Å; Q650-A654 PolarHBondContact O-N 2.87Å
651I79Confident79.8Confident53 Ų5393.1 Ų93.127%0.27247%0.467SS..Hα-helixtrans-65.6-39.8177.7-70.9169.2000110.8L394 Q647 V648 A654 L655L394-I651 HydrophobicContact CD1-CD1 3.64Å; Q647-I651 WeakPolarHBondContact O-CB 3.24Å; Q647-I651 VanDerWaalsContact O-CG1 3.24Å; Q647-I651 WeakPolarHBondContact O-CG1 3.44Å; Q647-I651 PolarHBondContact O-N 3.32Å; V648-I651 PolarHBondContact O-N 2.92Å; I651-A654 PolarHBondContact O-N 2.84Å; I651-L655 WeakPolarHBondContact O-CB 3.46Å; I651-L655 PolarHBondContact O-N 3.39Å
652K79.3Confident79.6Confident105 Ų10592.6 Ų92.646%0.45746%0.461SS..Hα-helixtrans-60.1-48.5175.4-179.4-175.2166.9-163.40111.5V648 A654 L655 E656V648-K652 VanDerWaalsContact O-CB 3.26Å; V648-K652 WeakPolarHBondContact O-CB 3.44Å; V648-K652 PolarHBondContact O-N 3.27Å; K652-A654 VanDerWaalsContact C-N 3.34Å; K652-A654 PolarHBondContact O-N 2.83Å; K652-L655 WeakPolarHBondContact O-CB 3.38Å; K652-L655 PolarHBondContact O-N 3.16Å; K652-E656 WeakPolarHBondContact CE-OE1 3.41Å; K652-E656 WeakPolarHBondContact O-CG 3.31Å; K652-E656 PolarHBondContact O-N 3.45Å
653R82.7Confident79.4Confident150 Ų15091.9 Ų91.957%0.56646%0.458SS*.Hα-helixtrans-60.8-41.7175.9-69.5174.4-167.3-175.46.3112.2E649 Q650 L655 E656 T657E649-R653 WeakPolarHBondContact O-CG 3.37Å; E649-R653 PolarHBondContact O-N 2.84Å; E649-R653 IonicContact OE1-CZ 3.72Å; E649-R653 IonicContact OE1-NE 3.74Å; E649-R653 PolarHBondContact OE1-NE 3.35Å; E649-R653 IonicContact OE1-NH2 2.71Å; E649-R653 PolarHBondContact OE1-NH2 3Å; Q650-R653 PolarHBondContact O-N 3.19Å; R653-L655 VanDerWaalsContact C-N 3.34Å; R653-L655 PolarHBondContact O-N 2.94Å; R653-E656 PolarHBondContact O-N 3.34Å; R653-T657 PolarHBondContact O-N 3.33Å; R653-T657 PolarHBondContact O-OG1 3.42Å; R653-T657 VanDerWaalsContact O-OG1 3.13Å
654A81.1Confident79.2Confident55 Ų5590 Ų9046%0.45546%0.455SS..Hα-helixtrans-63-39.1176.300000112.4Q650 I651 K652 T657 A658Q650-A654 WeakPolarHBondContact O-CB 3.36Å; Q650-A654 PolarHBondContact O-N 2.87Å; I651-A654 PolarHBondContact O-N 2.84Å; K652-A654 VanDerWaalsContact C-N 3.34Å; K652-A654 PolarHBondContact O-N 2.83Å; A654-T657 WeakPolarHBondContact CA-OG1 3.36Å; A654-T657 PolarHBondContact O-N 3.08Å; A654-T657 PolarHBondContact O-OG1 2.82Å; A654-A658 WeakPolarHBondContact O-CB 3.26Å; A654-A658 PolarHBondContact O-N 3.18Å
655L74.5Confident79.4Confident57 Ų5791 Ų9130%0.29846%0.461SS..Hα-helixtrans-67-42173.9-174.867.1000111.7I391 I651 K652 R653 T657 A658 I659I391-L655 HydrophobicContact CD1-CD1 4.22Å; I391-L655 HydrophobicContact CD1-CD2 3.82Å; I651-L655 WeakPolarHBondContact O-CB 3.46Å; I651-L655 PolarHBondContact O-N 3.39Å; K652-L655 WeakPolarHBondContact O-CB 3.38Å; K652-L655 PolarHBondContact O-N 3.16Å; R653-L655 VanDerWaalsContact C-N 3.34Å; R653-L655 PolarHBondContact O-N 2.94Å; L655-T657 VanDerWaalsContact C-N 3.29Å; L655-T657 PolarHBondContact O-N 3.41Å; L655-A658 PolarHBondContact O-N 3.01Å; L655-I659 HydrophobicContact CD1-CD1 4.33Å; L655-I659 HydrophobicContact CD1-CG1 4.45Å; L655-I659 HydrophobicContact CG-CD1 3.92Å; L655-I659 HydrophobicContact CG-CG1 4.44Å; L655-I659 WeakPolarHBondContact O-CB 3.44Å; L655-I659 VanDerWaalsContact O-CG1 3.31Å; L655-I659 WeakPolarHBondContact O-CG1 3.22Å; L655-I659 PolarHBondContact O-N 2.66Å
656E78Confident79.3Confident89 Ų8991.1 Ų91.142%0.41646%0.455SS..Hα-helixtrans-64.7-28.9175.9-73.9173.2-173.100113K652 R653 R660K652-E656 WeakPolarHBondContact CE-OE1 3.41Å; K652-E656 WeakPolarHBondContact O-CG 3.31Å; K652-E656 PolarHBondContact O-N 3.45Å; R653-E656 PolarHBondContact O-N 3.34Å; E656-R660 PolarHBondContact O-NE 3.33Å; E656-R660 PolarHBondContact O-NH2 3.31Å
657T80.9Confident79.2Confident61 Ų6190.8 Ų90.837%0.37446%0.457SS..Hα-helixtrans-72.7-48.2166.435.80000112.2R653 A654 L655 I659 R660 E661R653-T657 PolarHBondContact O-N 3.33Å; R653-T657 PolarHBondContact O-OG1 3.42Å; R653-T657 VanDerWaalsContact O-OG1 3.13Å; A654-T657 WeakPolarHBondContact CA-OG1 3.36Å; A654-T657 PolarHBondContact O-N 3.08Å; A654-T657 PolarHBondContact O-OG1 2.82Å; L655-T657 VanDerWaalsContact C-N 3.29Å; L655-T657 PolarHBondContact O-N 3.41Å; T657-I659 VanDerWaalsContact C-N 3.29Å; T657-I659 PolarHBondContact O-N 2.88Å; T657-R660 PolarHBondContact O-N 3.47Å; T657-R660 VanDerWaalsContact O-N 3.12Å; T657-E661 PolarHBondContact O-N 3.2Å
658A77.2Confident79.2Confident50 Ų5092.2 Ų92.241%0.41346%0.463SS..Hα-helixtrans-62.9-33.2-177.600000113.1A654 L655 R662A654-A658 WeakPolarHBondContact O-CB 3.26Å; A654-A658 PolarHBondContact O-N 3.18Å; L655-A658 PolarHBondContact O-N 3.01Å; A658-R662 VanDerWaalsContact O-CB 3.24Å; A658-R662 WeakPolarHBondContact O-CB 3.42Å; A658-R662 PolarHBondContact O-N 2.86Å
659I78.2Confident79Confident79 Ų7990.4 Ų90.441%0.40545%0.454SS..Hα-helixtrans-65-48173.2-71.3168.4000110.6L655 T657 E661 R662 E663L655-I659 HydrophobicContact CD1-CD1 4.33Å; L655-I659 HydrophobicContact CD1-CG1 4.45Å; L655-I659 HydrophobicContact CG-CD1 3.92Å; L655-I659 HydrophobicContact CG-CG1 4.44Å; L655-I659 WeakPolarHBondContact O-CB 3.44Å; L655-I659 VanDerWaalsContact O-CG1 3.31Å; L655-I659 WeakPolarHBondContact O-CG1 3.22Å; L655-I659 PolarHBondContact O-N 2.66Å; T657-I659 VanDerWaalsContact C-N 3.29Å; T657-I659 PolarHBondContact O-N 2.88Å; I659-E661 PolarHBondContact O-N 2.86Å; I659-R662 WeakPolarHBondContact O-CB 3.4Å; I659-R662 PolarHBondContact O-N 2.97Å; I659-R662 VanDerWaalsContact O-N 3.15Å; I659-E663 HydrophobicContact CG2-CG 4.39Å; I659-E663 WeakPolarHBondContact O-CG 3.34Å; I659-E663 PolarHBondContact O-N 3.4Å
660R80.5Confident78.9Confident151 Ų15192.8 Ų92.857%0.5747%0.467SS*.Hα-helixtrans-61.7-41.7178.5-77.7177.5-75.8156.1-7.7112.5E656 T657 E663 A664E656-R660 PolarHBondContact O-NE 3.33Å; E656-R660 PolarHBondContact O-NH2 3.31Å; T657-R660 PolarHBondContact O-N 3.47Å; T657-R660 VanDerWaalsContact O-N 3.12Å; R660-E663 PolarHBondContact O-N 3.49Å; R660-A664 WeakPolarHBondContact O-CB 3.34Å; R660-A664 PolarHBondContact O-N 3.2Å
661E80.6Confident78.8Confident125 Ų12590 Ų9058%0.58446%0.456SS*.Hα-helixtrans-64-41.3174.1-70.7176.8-172.800111.7T657 I659 A664 N665T657-E661 PolarHBondContact O-N 3.2Å; I659-E661 PolarHBondContact O-N 2.86Å; E661-A664 PolarHBondContact O-N 3.45Å; E661-N665 WeakPolarHBondContact O-CB 3.34Å; E661-N665 PolarHBondContact O-N 3.49Å; E661-N665 PolarHBondContact O-ND2 3.15Å
662R75.4Confident78.9Confident117 Ų11792 Ų9244%0.44247%0.467SS..Hα-helixtrans-64.4-41.7176-171.6-177.7-173.8-146.65.3112.2L384 A658 I659 N665 I666L384-R662 VanDerWaalsContact CD2-CZ 3.42Å; A658-R662 VanDerWaalsContact O-CB 3.24Å; A658-R662 WeakPolarHBondContact O-CB 3.42Å; A658-R662 PolarHBondContact O-N 2.86Å; I659-R662 WeakPolarHBondContact O-CB 3.4Å; I659-R662 PolarHBondContact O-N 2.97Å; I659-R662 VanDerWaalsContact O-N 3.15Å; R662-N665 PolarHBondContact O-N 3.46Å; R662-I666 HydrophobicContact CG-CD1 4.01Å; R662-I666 WeakPolarHBondContact O-CB 3.43Å; R662-I666 VanDerWaalsContact O-CG1 3.23Å; R662-I666 WeakPolarHBondContact O-CG1 3.37Å; R662-I666 PolarHBondContact O-N 3.28Å
663E79.3Confident78.7Confident116 Ų11694.1 Ų94.154%0.54247%0.472SS..Hα-helixtrans-63.8-46.2176.6-73.5175.5158.200111.2I659 R660 N665 I666 T667I659-E663 HydrophobicContact CG2-CG 4.39Å; I659-E663 WeakPolarHBondContact O-CG 3.34Å; I659-E663 PolarHBondContact O-N 3.4Å; R660-E663 PolarHBondContact O-N 3.49Å; E663-N665 PolarHBondContact O-N 2.83Å; E663-I666 PolarHBondContact O-N 3.37Å; E663-T667 WeakPolarHBondContact O-CG2 3.41Å; E663-T667 PolarHBondContact O-N 3.03Å
664A79.9Confident78.5Confident52 Ų5292.3 Ų92.343%0.4347%0.47SS..Hα-helixtrans-56-51.817300000111.6R660 E661 I666 T667 E668R660-A664 WeakPolarHBondContact O-CB 3.34Å; R660-A664 PolarHBondContact O-N 3.2Å; E661-A664 PolarHBondContact O-N 3.45Å; A664-I666 VanDerWaalsContact C-N 3.29Å; A664-I666 PolarHBondContact O-N 3.17Å; A664-T667 PolarHBondContact O-N 3.11Å; A664-T667 PolarHBondContact O-OG1 3.18Å; A664-E668 PolarHBondContact O-N 2.98Å
665N79.7Confident78.6Confident99 Ų9995.1 Ų95.153%0.52947%0.472SS..Hα-helixtrans-61-33.4178.3-72.4-32.4000113E661 R662 E663 S669E661-N665 WeakPolarHBondContact O-CB 3.34Å; E661-N665 PolarHBondContact O-N 3.49Å; E661-N665 PolarHBondContact O-ND2 3.15Å; R662-N665 PolarHBondContact O-N 3.46Å; E663-N665 PolarHBondContact O-N 2.83Å; N665-S669 WeakPolarHBondContact O-CB 3.18Å; N665-S669 PolarHBondContact O-N 3.44Å
666I79.1Confident78.7Confident77 Ų7797.9 Ų97.940%0.39549%0.486SS..Hα-helixtrans-66.2-45.3172.9-74.3165.6000110.5R662 E663 A664 S669 M670R662-I666 HydrophobicContact CG-CD1 4.01Å; R662-I666 WeakPolarHBondContact O-CB 3.43Å; R662-I666 VanDerWaalsContact O-CG1 3.23Å; R662-I666 WeakPolarHBondContact O-CG1 3.37Å; R662-I666 PolarHBondContact O-N 3.28Å; E663-I666 PolarHBondContact O-N 3.37Å; A664-I666 VanDerWaalsContact C-N 3.29Å; A664-I666 PolarHBondContact O-N 3.17Å; I666-S669 CarbonylContact O-C 3.58Å; I666-S669 PolarHBondContact O-N 3.24Å; I666-M670 HydrophobicContact CG2-CG 4.49Å; I666-M670 HydrophobicContact CG2-SD 4.06Å; I666-M670 WeakPolarHBondContact O-CG 3.48Å; I666-M670 PolarHBondContact O-N 3.32Å
667T79.6Confident78.7Confident96 Ų9697 Ų9759%0.58949%0.49SS*.Hα-helixtrans-63.9-42.1178.964.60000112.5E663 A664 S669 M670 L671E663-T667 WeakPolarHBondContact O-CG2 3.41Å; E663-T667 PolarHBondContact O-N 3.03Å; A664-T667 PolarHBondContact O-N 3.11Å; A664-T667 PolarHBondContact O-OG1 3.18Å; T667-S669 PolarHBondContact O-N 3.29Å; T667-M670 PolarHBondContact O-N 2.88Å; T667-L671 PolarHBondContact O-N 3.37Å
668E81.5Confident78.5Confident115 Ų11599 Ų9954%0.53750%0.495SS..Hα-helixtrans-62.9-43.4173.5-170.8-177.2-168.400111.1A664 M670 L671 L672A664-E668 PolarHBondContact O-N 2.98Å; E668-M670 VanDerWaalsContact C-N 3.26Å; E668-M670 PolarHBondContact O-N 2.98Å; E668-L671 WeakPolarHBondContact O-CB 3.48Å; E668-L671 PolarHBondContact O-N 2.69Å; E668-L672 HydrophobicContact CG-CD1 4.01Å; E668-L672 HydrophobicContact CG-CG 4.39Å; E668-L672 WeakPolarHBondContact O-CB 3.3Å; E668-L672 WeakPolarHBondContact O-CG 3.4Å; E668-L672 PolarHBondContact O-N 3.25Å
669S73.4Confident78.8Confident38 Ų38102.3 Ų102.327%0.26651%0.505SS..Hα-helixtrans-63.9-28.5177-1720000113.3N665 I666 T667 R673N665-S669 WeakPolarHBondContact O-CB 3.18Å; N665-S669 PolarHBondContact O-N 3.44Å; I666-S669 CarbonylContact O-C 3.58Å; I666-S669 PolarHBondContact O-N 3.24Å; T667-S669 PolarHBondContact O-N 3.29Å; S669-R673 WeakPolarHBondContact O-CB 3.34Å; S669-R673 WeakPolarHBondContact O-CG 3.33Å; S669-R673 PolarHBondContact O-N 3.03Å; S669-R673 VanDerWaalsContact O-N 3.16Å; S669-R673 PolarHBondContact O-NE 2.95Å; S669-R673 PolarHBondContact OG-NE 3.36Å; S669-R673 PolarHBondContact OG-NH2 3.19Å
670M75.1Confident78.8Confident120 Ų120100.1 Ų100.159%0.59150%0.499SS*.Hα-helixtrans-74.6-43.8171.5-70.3178.17900111.4I666 T667 E668 L672 R673 Q674I666-M670 HydrophobicContact CG2-CG 4.49Å; I666-M670 HydrophobicContact CG2-SD 4.06Å; I666-M670 WeakPolarHBondContact O-CG 3.48Å; I666-M670 PolarHBondContact O-N 3.32Å; T667-M670 PolarHBondContact O-N 2.88Å; E668-M670 VanDerWaalsContact C-N 3.26Å; E668-M670 PolarHBondContact O-N 2.98Å; M670-L672 VanDerWaalsContact C-N 3.35Å; M670-L672 PolarHBondContact O-N 3.45Å; M670-R673 PolarHBondContact O-N 3.29Å; M670-Q674 PolarHBondContact O-N 3.48Å
671L79.9Confident78.5Confident85 Ų8595.1 Ų95.145%0.44549%0.49SS..Hα-helixtrans-60.3-42.2175-171.875.2000112.1T667 E668 Q674 K675T667-L671 PolarHBondContact O-N 3.37Å; E668-L671 WeakPolarHBondContact O-CB 3.48Å; E668-L671 PolarHBondContact O-N 2.69Å; L671-Q674 PolarHBondContact O-N 2.87Å; L671-K675 WeakPolarHBondContact O-CG 3.45Å; L671-K675 PolarHBondContact O-N 2.98Å; L671-K675 VanDerWaalsContact O-N 3.08Å
672L79.9Confident78.5Confident95 Ų9591.6 Ų91.650%0.49748%0.482SS..Hα-helixtrans-63.6-43.5174.7-75.1167.4000111.5E668 M670 Q674 K675 L676E668-L672 HydrophobicContact CG-CD1 4.01Å; E668-L672 HydrophobicContact CG-CG 4.39Å; E668-L672 WeakPolarHBondContact O-CB 3.3Å; E668-L672 WeakPolarHBondContact O-CG 3.4Å; E668-L672 PolarHBondContact O-N 3.25Å; M670-L672 VanDerWaalsContact C-N 3.35Å; M670-L672 PolarHBondContact O-N 3.45Å; L672-Q674 PolarHBondContact O-N 3.48Å; L672-K675 PolarHBondContact O-N 2.73Å; L672-L676 WeakPolarHBondContact O-CB 3.47Å; L672-L676 PolarHBondContact O-N 3.04Å
673R76.8Confident78.6Confident150 Ų15092.6 Ų92.657%0.56649%0.49SS*.Hα-helixtrans-65.3-35.3176.1-82.5177.7-86.2-174.1-6112.9S669 M670 S677S669-R673 WeakPolarHBondContact O-CB 3.34Å; S669-R673 WeakPolarHBondContact O-CG 3.33Å; S669-R673 PolarHBondContact O-N 3.03Å; S669-R673 VanDerWaalsContact O-N 3.16Å; S669-R673 PolarHBondContact O-NE 2.95Å; S669-R673 PolarHBondContact OG-NE 3.36Å; S669-R673 PolarHBondContact OG-NH2 3.19Å; M670-R673 PolarHBondContact O-N 3.29Å; R673-S677 WeakPolarHBondContact O-CB 3.42Å; R673-S677 PolarHBondContact O-N 3.46Å
674Q78.5Confident78.2Confident111 Ų11193.8 Ų93.852%0.51949%0.489SS..Hα-helixtrans-61.1-55171.3-180-177.7-19.200111M670 L671 L672 L676 S677 E678M670-Q674 PolarHBondContact O-N 3.48Å; L671-Q674 PolarHBondContact O-N 2.87Å; L672-Q674 PolarHBondContact O-N 3.48Å; Q674-L676 PolarHBondContact O-N 3.38Å; Q674-S677 WeakPolarHBondContact O-CA 3.43Å; Q674-S677 WeakPolarHBondContact O-CB 3.5Å; Q674-S677 PolarHBondContact O-N 3.35Å; Q674-E678 VanDerWaalsContact CG-OE1 3.3Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.41Å; Q674-E678 PolarHBondContact NE2-OE1 3.39Å; Q674-E678 WeakPolarHBondContact O-CG 3.32Å; Q674-E678 PolarHBondContact O-N 3.13Å
675K82.7Confident78Confident114 Ų11498.6 Ų98.650%0.49650%0.497SS..Hα-helixtrans-56.2-38.4178.8-71.1172.3179.2175.90112.5L671 L672 E678 L679L671-K675 WeakPolarHBondContact O-CG 3.45Å; L671-K675 PolarHBondContact O-N 2.98Å; L671-K675 VanDerWaalsContact O-N 3.08Å; L672-K675 PolarHBondContact O-N 2.73Å; K675-E678 PolarHBondContact O-N 3.23Å; K675-L679 WeakPolarHBondContact O-CB 3.49Å; K675-L679 PolarHBondContact O-N 3.37Å
676L76.5Confident77.9Confident115 Ų11597 Ų9760%0.60249%0.494SS*.Hα-helixtrans-71.6-34.4178.2-146.2157.5000111.7L672 Q674 A680L672-L676 WeakPolarHBondContact O-CB 3.47Å; L672-L676 PolarHBondContact O-N 3.04Å; Q674-L676 PolarHBondContact O-N 3.38Å; L676-A680 VanDerWaalsContact O-CB 3.23Å; L676-A680 WeakPolarHBondContact O-CB 3.44Å; L676-A680 PolarHBondContact O-N 2.88Å
677S78.1Confident77.6Confident72 Ų7299.1 Ų99.150%0.50350%0.503SS..Hα-helixtrans-65.6-44.3171.8-1690000112.3R673 Q674 A680 A681R673-S677 WeakPolarHBondContact O-CB 3.42Å; R673-S677 PolarHBondContact O-N 3.46Å; Q674-S677 WeakPolarHBondContact O-CA 3.43Å; Q674-S677 WeakPolarHBondContact O-CB 3.5Å; Q674-S677 PolarHBondContact O-N 3.35Å; S677-A680 PolarHBondContact O-N 2.98Å; S677-A681 WeakPolarHBondContact O-CB 3.46Å; S677-A681 PolarHBondContact O-N 3.36Å
678E77.1Confident77.2Confident103 Ų10397 Ų9748%0.48149%0.494SS..Hα-helixtrans-61-48175.4-70.6167-175.600111.3Q674 K675 A680 A681 A682Q674-E678 VanDerWaalsContact CG-OE1 3.3Å; Q674-E678 WeakPolarHBondContact CG-OE1 3.41Å; Q674-E678 PolarHBondContact NE2-OE1 3.39Å; Q674-E678 WeakPolarHBondContact O-CG 3.32Å; Q674-E678 PolarHBondContact O-N 3.13Å; K675-E678 PolarHBondContact O-N 3.23Å; E678-A680 VanDerWaalsContact C-N 3.34Å; E678-A680 PolarHBondContact O-N 3.33Å; E678-A681 WeakPolarHBondContact O-CB 3.42Å; E678-A681 PolarHBondContact O-N 3.08Å; E678-A682 PolarHBondContact O-N 3.03Å
679L82.5Confident76.9Confident119 Ų11996.2 Ų96.262%0.62349%0.491SS*.Hα-helixtrans-63.2-38.7176.7-160.477.8000112K675 A682 F683K675-L679 WeakPolarHBondContact O-CB 3.49Å; K675-L679 PolarHBondContact O-N 3.37Å; L679-A682 PolarHBondContact O-N 3.47Å; L679-F683 WeakPolarHBondContact O-CB 3.48Å; L679-F683 PolarHBondContact O-N 3.44Å
680A77.6Confident77Confident32 Ų3299.6 Ų99.626%0.26451%0.505SS..Hα-helixtrans-69.6-31.3175.600000112.6L676 S677 E678 R684L676-A680 VanDerWaalsContact O-CB 3.23Å; L676-A680 WeakPolarHBondContact O-CB 3.44Å; L676-A680 PolarHBondContact O-N 2.88Å; S677-A680 PolarHBondContact O-N 2.98Å; E678-A680 VanDerWaalsContact C-N 3.34Å; E678-A680 PolarHBondContact O-N 3.33Å; A680-R684 WeakPolarHBondContact O-CG 3.34Å; A680-R684 PolarHBondContact O-N 3.48Å; A680-R684 PolarHBondContact O-NH1 3.24Å
681A76.3Confident76.8Confident46 Ų4696.4 Ų96.438%0.3850%0.498SS..Hα-helixtrans-68-44.9171.800000111.2S677 E678 F683 R684 Y685S677-A681 WeakPolarHBondContact O-CB 3.46Å; S677-A681 PolarHBondContact O-N 3.36Å; E678-A681 WeakPolarHBondContact O-CB 3.42Å; E678-A681 PolarHBondContact O-N 3.08Å; A681-F683 PolarHBondContact O-N 2.97Å; A681-R684 PolarHBondContact O-N 3.49Å; A681-Y685 WeakPolarHBondContact O-CB 3.49Å; A681-Y685 PolarHBondContact O-N 2.92Å
682A80.1Confident76.4Confident51 Ų5197.8 Ų97.842%0.42150%0.504SS..Hα-helixtrans-59.4-45.1173.300000111.9E678 L679 R684 Y685 S686E678-A682 PolarHBondContact O-N 3.03Å; L679-A682 PolarHBondContact O-N 3.47Å; A682-R684 PolarHBondContact O-N 2.94Å; A682-Y685 WeakPolarHBondContact O-CB 3.46Å; A682-Y685 PolarHBondContact O-N 3.26Å; A682-S686 PolarHBondContact O-N 2.99Å; A682-S686 PolarHBondContact O-OG 3.42Å
683F77.2Confident76.1Confident138 Ų13895.5 Ų95.561%0.60550%0.5SS*.Hα-helixtrans-61.9-44.5177-175-91.1000112.5L679 A681 Y685 S686 Q687L679-F683 WeakPolarHBondContact O-CB 3.48Å; L679-F683 PolarHBondContact O-N 3.44Å; A681-F683 PolarHBondContact O-N 2.97Å; F683-Y685 VanDerWaalsContact C-N 3.29Å; F683-Y685 PolarHBondContact O-N 3.35Å; F683-S686 PolarHBondContact O-N 3.43Å; F683-Q687 WeakPolarHBondContact O-CB 3.49Å; F683-Q687 PolarHBondContact O-N 3.4Å
684R71.2Confident76Confident141 Ų14194.3 Ų94.353%0.53250%0.5SS..Hα-helixtrans-60.4-39.4174.5-75.4-175-61.3-91.22.1111.9A680 A681 A682 Q687 A688A680-R684 WeakPolarHBondContact O-CG 3.34Å; A680-R684 PolarHBondContact O-N 3.48Å; A680-R684 PolarHBondContact O-NH1 3.24Å; A681-R684 PolarHBondContact O-N 3.49Å; A682-R684 PolarHBondContact O-N 2.94Å; R684-Q687 PolarHBondContact O-N 3.46Å; R684-A688 WeakPolarHBondContact O-CB 3.28Å; R684-A688 PolarHBondContact O-N 3.33Å
685Y74.7Confident75.7Confident153 Ų15393.5 Ų93.560%0.650%0.503SS*.Hα-helixtrans-64.6-47.3176.4-177.6-105.6000111.9A681 A682 F683 Q687 A688 Q689A681-Y685 WeakPolarHBondContact O-CB 3.49Å; A681-Y685 PolarHBondContact O-N 2.92Å; A682-Y685 WeakPolarHBondContact O-CB 3.46Å; A682-Y685 PolarHBondContact O-N 3.26Å; F683-Y685 VanDerWaalsContact C-N 3.29Å; F683-Y685 PolarHBondContact O-N 3.35Å; Y685-Q687 PolarHBondContact O-N 3.28Å; Y685-A688 PolarHBondContact O-N 3.21Å; Y685-Q689 HydrophobicContact CE1-CG 4.47Å; Y685-Q689 VanDerWaalsContact CZ-NE2 3.34Å; Y685-Q689 PolarHBondContact O-N 2.87Å; Y685-Q689 PolarHBondContact OH-NE2 3.23Å
686S78.8Confident75.1Confident67 Ų6791.4 Ų91.447%0.46950%0.502SS..Hα-helixtrans-63.1-38.8174.3-61.50000112.9A682 F683 Q689 L690A682-S686 PolarHBondContact O-N 2.99Å; A682-S686 PolarHBondContact O-OG 3.42Å; F683-S686 PolarHBondContact O-N 3.43Å; S686-Q689 PolarHBondContact O-N 2.83Å; S686-L690 PolarHBondContact O-N 2.9Å
687Q72.2Confident75Confident121 Ų12189.9 Ų89.957%0.56550%0.498SS*.Hα-helixtrans-66.2-38.9176.3-169.6177.634.300111.9F683 R684 Y685 L690 A691F683-Q687 WeakPolarHBondContact O-CB 3.49Å; F683-Q687 PolarHBondContact O-N 3.4Å; R684-Q687 PolarHBondContact O-N 3.46Å; Y685-Q687 PolarHBondContact O-N 3.28Å; Q687-L690 PolarHBondContact O-N 3.26Å; Q687-A691 PolarHBondContact O-N 2.81Å
688A70.9Confident74.6Confident50 Ų5090 Ų9041%0.41350%0.499SS..Hα-helixtrans-64.4-43.8173.400000111.8R684 Y685 L690 A691 I692R684-A688 WeakPolarHBondContact O-CB 3.28Å; R684-A688 PolarHBondContact O-N 3.33Å; Y685-A688 PolarHBondContact O-N 3.21Å; A688-L690 VanDerWaalsContact C-N 3.33Å; A688-L690 PolarHBondContact O-N 2.88Å; A688-A691 PolarHBondContact O-N 2.87Å; A688-I692 VanDerWaalsContact O-CG1 3.31Å; A688-I692 WeakPolarHBondContact O-CG1 3.33Å; A688-I692 PolarHBondContact O-N 3.43Å
689Q76.4Confident74.1Confident100 Ų10087.7 Ų87.747%0.46750%0.498SS..Hα-helixtrans-58.6-43172.3-73.2-172.4-9.400112Y685 S686 A691 I692 A693Y685-Q689 HydrophobicContact CE1-CG 4.47Å; Y685-Q689 VanDerWaalsContact CZ-NE2 3.34Å; Y685-Q689 PolarHBondContact O-N 2.87Å; Y685-Q689 PolarHBondContact OH-NE2 3.23Å; S686-Q689 PolarHBondContact O-N 2.83Å; Q689-A691 PolarHBondContact O-N 3.15Å; Q689-I692 PolarHBondContact O-N 3.3Å; Q689-A693 WeakPolarHBondContact O-CB 3.37Å; Q689-A693 PolarHBondContact O-N 2.78Å
690L74.6Confident73.6Confident108 Ų10884.3 Ų84.357%0.56549%0.487SS*.Hα-helixtrans-64.5-39.6178.2-145.395.5000111.8S686 Q687 A688 A693 H694S686-L690 PolarHBondContact O-N 2.9Å; Q687-L690 PolarHBondContact O-N 3.26Å; A688-L690 VanDerWaalsContact C-N 3.33Å; A688-L690 PolarHBondContact O-N 2.88Å; L690-A693 PolarHBondContact O-N 3.22Å; L690-H694 PolarHBondContact O-CD2 3.3Å; L690-H694 VanDerWaalsContact O-CD2 3.25Å; L690-H694 PolarHBondContact O-N 2.97Å
691A70.4Confident73.3Confident53 Ų5388.2 Ų88.244%0.43850%0.499SS..Hα-helixtrans-65.7-38.7175.800000112.3Q687 A688 Q689 H694 T695Q687-A691 PolarHBondContact O-N 2.81Å; A688-A691 PolarHBondContact O-N 2.87Å; Q689-A691 PolarHBondContact O-N 3.15Å; A691-H694 PolarHBondContact O-N 2.82Å; A691-T695 WeakPolarHBondContact O-CB 3.38Å; A691-T695 WeakPolarHBondContact O-CG2 3.46Å; A691-T695 PolarHBondContact O-N 3.37Å; A691-T695 PolarHBondContact O-OG1 2.89Å
692I71.1Confident72.9Confident114 Ų11488.7 Ų88.759%0.58550%0.504SS*.Hα-helixtrans-63.7-45172.6-67.6163.6000110.1A688 Q689 H694 T695 S696A688-I692 VanDerWaalsContact O-CG1 3.31Å; A688-I692 WeakPolarHBondContact O-CG1 3.33Å; A688-I692 PolarHBondContact O-N 3.43Å; Q689-I692 PolarHBondContact O-N 3.3Å; I692-H694 PolarHBondContact O-N 2.83Å; I692-T695 WeakPolarHBondContact CA-OG1 3.44Å; I692-T695 PolarHBondContact O-N 3.37Å; I692-T695 PolarHBondContact O-OG1 2.93Å; I692-S696 WeakPolarHBondContact O-CB 3.36Å; I692-S696 PolarHBondContact O-N 3.48Å; I692-S696 PolarHBondContact O-OG 3.48Å; I692-S696 VanDerWaalsContact O-OG 3.06Å
693A74.9Confident72.5Confident48 Ų4890.2 Ų90.240%0.39751%0.508SS..Hα-helixtrans-62.4-41.1176.300000112.9Q689 L690 S696 T697Q689-A693 WeakPolarHBondContact O-CB 3.37Å; Q689-A693 PolarHBondContact O-N 2.78Å; L690-A693 PolarHBondContact O-N 3.22Å; A693-S696 PolarHBondContact O-OG 3.03Å; A693-S696 VanDerWaalsContact O-OG 3.05Å; A693-T697 VanDerWaalsContact O-CB 3.25Å; A693-T697 WeakPolarHBondContact O-CB 3.09Å; A693-T697 PolarHBondContact O-N 2.88Å; A693-T697 PolarHBondContact O-OG1 2.76Å
694H73.7Confident72.2Confident125 Ų12589 Ų8958%0.57951%0.507SS*.Hα-helixtrans-67.7-41.8176.2-86.4-69.1000112.6L690 A691 I692 T697 S698L690-H694 PolarHBondContact O-CD2 3.3Å; L690-H694 VanDerWaalsContact O-CD2 3.25Å; L690-H694 PolarHBondContact O-N 2.97Å; A691-H694 PolarHBondContact O-N 2.82Å; I692-H694 PolarHBondContact O-N 2.83Å; H694-T697 PolarHBondContact O-N 3.03Å; H694-S698 VanDerWaalsContact O-CB 3.28Å; H694-S698 WeakPolarHBondContact O-CB 3.38Å; H694-S698 PolarHBondContact O-N 2.89Å
695T72.6Confident72.2Confident94 Ų9488.3 Ų88.358%0.57751%0.511SS*.Hα-helixtrans-68.8-40.5178.6470000111.9A691 I692 S698 A699A691-T695 WeakPolarHBondContact O-CB 3.38Å; A691-T695 WeakPolarHBondContact O-CG2 3.46Å; A691-T695 PolarHBondContact O-N 3.37Å; A691-T695 PolarHBondContact O-OG1 2.89Å; I692-T695 WeakPolarHBondContact CA-OG1 3.44Å; I692-T695 PolarHBondContact O-N 3.37Å; I692-T695 PolarHBondContact O-OG1 2.93Å; T695-S698 PolarHBondContact O-N 2.74Å; T695-A699 WeakPolarHBondContact O-CB 3.3Å; T695-A699 PolarHBondContact O-N 3.12Å
696S70.5Confident71.8Confident69 Ų6983.8 Ų83.848%0.48351%0.505SS..Hα-helixtrans-66-39.8173.163.40000112.5I692 A693 A699 A700I692-S696 WeakPolarHBondContact O-CB 3.36Å; I692-S696 PolarHBondContact O-N 3.48Å; I692-S696 PolarHBondContact O-OG 3.48Å; I692-S696 VanDerWaalsContact O-OG 3.06Å; A693-S696 PolarHBondContact O-OG 3.03Å; A693-S696 VanDerWaalsContact O-OG 3.05Å; S696-A699 PolarHBondContact O-N 3.25Å; S696-A700 WeakPolarHBondContact O-CB 3.41Å; S696-A700 PolarHBondContact O-N 2.93Å
697T74.5Confident71.5Confident83 Ų8386.6 Ų86.651%0.50951%0.514SS..Hα-helixtrans-64.9-42.5175.4-57.30000111.3A693 H694 A700 Q701A693-T697 VanDerWaalsContact O-CB 3.25Å; A693-T697 WeakPolarHBondContact O-CB 3.09Å; A693-T697 PolarHBondContact O-N 2.88Å; A693-T697 PolarHBondContact O-OG1 2.76Å; H694-T697 PolarHBondContact O-N 3.03Å; T697-A700 PolarHBondContact O-N 2.97Å; T697-Q701 WeakPolarHBondContact O-CB 3.38Å; T697-Q701 PolarHBondContact O-N 3.08Å
698S68.9Low71.5Confident75 Ų7583.7 Ų83.752%0.52451%0.511SS..Hα-helixtrans-62.5-43.4175.3-174.60000111.8H694 T695 Q701 A702H694-S698 VanDerWaalsContact O-CB 3.28Å; H694-S698 WeakPolarHBondContact O-CB 3.38Å; H694-S698 PolarHBondContact O-N 2.89Å; T695-S698 PolarHBondContact O-N 2.74Å; S698-Q701 PolarHBondContact O-N 3.36Å; S698-A702 VanDerWaalsContact O-CB 3.29Å; S698-A702 WeakPolarHBondContact O-CB 3.36Å; S698-A702 PolarHBondContact O-N 2.8Å
699A66.7Low71.5Confident55 Ų5587.6 Ų87.646%0.45552%0.518SS..Hα-helixtrans-64.2-39.617500000112.8T695 S696 T703T695-A699 WeakPolarHBondContact O-CB 3.3Å; T695-A699 PolarHBondContact O-N 3.12Å; S696-A699 PolarHBondContact O-N 3.25Å; A699-T703 WeakPolarHBondContact O-CB 2.99Å; A699-T703 PolarHBondContact O-N 3.27Å; A699-T703 PolarHBondContact O-OG1 2.69Å
700A73.3Confident71Confident47 Ų4785.3 Ų85.339%0.38852%0.517SS..Hα-helixtrans-64.4-43.3173.100000111.6S696 T697 T703 I704S696-A700 WeakPolarHBondContact O-CB 3.41Å; S696-A700 PolarHBondContact O-N 2.93Å; T697-A700 PolarHBondContact O-N 2.97Å; A700-T703 WeakPolarHBondContact CA-OG1 3.33Å; A700-T703 PolarHBondContact O-N 3.35Å; A700-T703 PolarHBondContact O-OG1 3.38Å; A700-I704 WeakPolarHBondContact O-CB 3.23Å; A700-I704 WeakPolarHBondContact O-CD1 3.41Å; A700-I704 VanDerWaalsContact O-CG1 3.23Å; A700-I704 WeakPolarHBondContact O-CG1 3.34Å; A700-I704 PolarHBondContact O-N 3.34Å
701Q70.3Confident70.4Confident114 Ų11483.8 Ų83.853%0.53352%0.515SS..Hα-helixtrans-67.3-39.7178.2-166172.613.800111.8T697 S698 I704 M705T697-Q701 WeakPolarHBondContact O-CB 3.38Å; T697-Q701 PolarHBondContact O-N 3.08Å; S698-Q701 PolarHBondContact O-N 3.36Å; Q701-I704 PolarHBondContact O-N 2.87Å; Q701-M705 HydrophobicContact CG-CE 4.27Å; Q701-M705 WeakPolarHBondContact O-CG 3.3Å; Q701-M705 PolarHBondContact O-N 3.13Å
702A67.9Low70Confident57 Ų5783.9 Ų83.947%0.47152%0.516SS..Hα-helixtrans-65.4-40174.600000112.5S698 M705 A706S698-A702 VanDerWaalsContact O-CB 3.29Å; S698-A702 WeakPolarHBondContact O-CB 3.36Å; S698-A702 PolarHBondContact O-N 2.8Å; A702-M705 PolarHBondContact O-N 3.03Å; A702-A706 WeakPolarHBondContact O-CB 3.37Å; A702-A706 PolarHBondContact O-N 2.85Å
703T71.3Confident69.3Low82 Ų8283.2 Ų83.250%0.50351%0.51SS..Hα-helixtrans-70.7-36.5175.343.90000112.4A699 A700 A706 L707A699-T703 WeakPolarHBondContact O-CB 2.99Å; A699-T703 PolarHBondContact O-N 3.27Å; A699-T703 PolarHBondContact O-OG1 2.69Å; A700-T703 WeakPolarHBondContact CA-OG1 3.33Å; A700-T703 PolarHBondContact O-N 3.35Å; A700-T703 PolarHBondContact O-OG1 3.38Å; T703-A706 PolarHBondContact O-N 3.25Å; T703-L707 WeakPolarHBondContact O-CB 3.47Å; T703-L707 VanDerWaalsContact O-CG 3.31Å; T703-L707 WeakPolarHBondContact O-CG 3.07Å; T703-L707 PolarHBondContact O-N 3.19Å
704I71.4Confident68.5Low114 Ų11487.3 Ų87.359%0.58552%0.519SS*.Hα-helixtrans-61-45.4169.9-70.8164.7000110.8A700 Q701 L707 A708A700-I704 WeakPolarHBondContact O-CB 3.23Å; A700-I704 WeakPolarHBondContact O-CD1 3.41Å; A700-I704 VanDerWaalsContact O-CG1 3.23Å; A700-I704 WeakPolarHBondContact O-CG1 3.34Å; A700-I704 PolarHBondContact O-N 3.34Å; Q701-I704 PolarHBondContact O-N 2.87Å; I704-L707 PolarHBondContact O-N 3.46Å; I704-A708 VanDerWaalsContact O-CB 3.32Å; I704-A708 WeakPolarHBondContact O-CB 3.41Å; I704-A708 PolarHBondContact O-N 2.98Å
705M71Confident67.6Low125 Ų12585 Ų8562%0.61651%0.513SS*.Hα-helixtrans-63.1-40.6175-74-174.2-174.700112.4Q701 A702 A708 K709Q701-M705 HydrophobicContact CG-CE 4.27Å; Q701-M705 WeakPolarHBondContact O-CG 3.3Å; Q701-M705 PolarHBondContact O-N 3.13Å; A702-M705 PolarHBondContact O-N 3.03Å; M705-A708 PolarHBondContact O-N 2.76Å; M705-K709 VanDerWaalsContact O-CB 3.24Å; M705-K709 WeakPolarHBondContact O-CB 3.34Å; M705-K709 PolarHBondContact O-N 3.16Å
706A67.7Low66.7Low58 Ų5885 Ų8548%0.47951%0.51SS..Hα-helixtrans-64.9-41.7177.300000112.1A702 T703 K709 A710A702-A706 WeakPolarHBondContact O-CB 3.37Å; A702-A706 PolarHBondContact O-N 2.85Å; T703-A706 PolarHBondContact O-N 3.25Å; A706-K709 PolarHBondContact O-N 2.85Å; A706-A710 WeakPolarHBondContact O-CB 3.35Å; A706-A710 PolarHBondContact O-N 3.13Å
707L71.8Confident65.6Low126 Ų12688.6 Ų88.666%0.6652%0.521SS*.Hα-helixtrans-68.1-41.9175.6-71.6169.4000112T703 I704 K709 A710 S711T703-L707 WeakPolarHBondContact O-CB 3.47Å; T703-L707 VanDerWaalsContact O-CG 3.31Å; T703-L707 WeakPolarHBondContact O-CG 3.07Å; T703-L707 PolarHBondContact O-N 3.19Å; I704-L707 PolarHBondContact O-N 3.46Å; L707-K709 VanDerWaalsContact C-N 3.35Å; L707-A710 PolarHBondContact O-N 3.35Å; L707-S711 WeakPolarHBondContact O-CB 3.49Å; L707-S711 PolarHBondContact O-N 3.26Å
708A71.3Confident64.4Low61 Ų6190.6 Ų90.650%0.50453%0.525SS..Hα-helixtrans-62.1-42.6174.300000111.6I704 M705 S711 A712I704-A708 VanDerWaalsContact O-CB 3.32Å; I704-A708 WeakPolarHBondContact O-CB 3.41Å; I704-A708 PolarHBondContact O-N 2.98Å; M705-A708 PolarHBondContact O-N 2.76Å; A708-S711 PolarHBondContact O-N 3.18Å; A708-A712 WeakPolarHBondContact O-CB 3.32Å; A708-A712 PolarHBondContact O-N 3.27Å
709K71.7Confident63.4Low131 Ų13196.1 Ų96.157%0.5753%0.534SS*.Hα-helixtrans-63.8-48.6175.2-179174.6170.8179.70111.7M705 A706 L707 S711 A712 E713M705-K709 VanDerWaalsContact O-CB 3.24Å; M705-K709 WeakPolarHBondContact O-CB 3.34Å; M705-K709 PolarHBondContact O-N 3.16Å; A706-K709 PolarHBondContact O-N 2.85Å; L707-K709 VanDerWaalsContact C-N 3.35Å; K709-S711 VanDerWaalsContact C-N 3.28Å; K709-S711 PolarHBondContact O-N 3.07Å; K709-A712 PolarHBondContact O-N 2.95Å; K709-A712 VanDerWaalsContact O-N 3.1Å; K709-E713 VanDerWaalsContact CE-CD 3.5Å; K709-E713 WeakPolarHBondContact CE-OE1 3.5Å; K709-E713 HydrophobicContact CG-CG 4.33Å; K709-E713 IonicContact NZ-OE1 3.78Å; K709-E713 WeakPolarHBondContact O-CB 3.34Å; K709-E713 WeakPolarHBondContact O-CG 3.14Å; K709-E713 PolarHBondContact O-N 3.21Å
710A64.6Low62.3Low53 Ų53100.3 Ų100.344%0.43855%0.548SS..Hα-helixtrans-61.2-36.617700000112.4A706 L707 K714A706-A710 WeakPolarHBondContact O-CB 3.35Å; A706-A710 PolarHBondContact O-N 3.13Å; L707-A710 PolarHBondContact O-N 3.35Å; A710-K714 WeakPolarHBondContact O-CB 3.4Å; A710-K714 PolarHBondContact O-N 2.89Å
711S64Low60.7Low76 Ų76106.8 Ų106.853%0.53157%0.57SS.*Hα-helixtrans-66.2-40.7173.3-169.20000112.2L707 A708 K709 V715L707-S711 WeakPolarHBondContact O-CB 3.49Å; L707-S711 PolarHBondContact O-N 3.26Å; A708-S711 PolarHBondContact O-N 3.18Å; K709-S711 VanDerWaalsContact C-N 3.28Å; K709-S711 PolarHBondContact O-N 3.07Å; S711-V715 WeakPolarHBondContact O-CG2 3.46Å; S711-V715 PolarHBondContact O-N 3.3Å; S711-V715 VanDerWaalsContact O-N 3.14Å
712A61.3Low59.2Low54 Ų54108.6 Ų108.645%0.44658%0.579SS.*Hα-helixtrans-68.7-40.7176.100000112.1A708 K709 V715 N716A708-A712 WeakPolarHBondContact O-CB 3.32Å; A708-A712 PolarHBondContact O-N 3.27Å; K709-A712 PolarHBondContact O-N 2.95Å; K709-A712 VanDerWaalsContact O-N 3.1Å; A712-V715 PolarHBondContact O-N 3.33Å; A712-N716 WeakPolarHBondContact O-CB 3.3Å; A712-N716 PolarHBondContact O-N 3.47Å
713E57Low57.6Low101 Ų101115.4 Ų115.447%0.47260%0.601SS.*Hα-helixtrans-65.5-37.7176.6-74.1174.515900111.6K709 N716 M717K709-E713 VanDerWaalsContact CE-CD 3.5Å; K709-E713 WeakPolarHBondContact CE-OE1 3.5Å; K709-E713 HydrophobicContact CG-CG 4.33Å; K709-E713 IonicContact NZ-OE1 3.78Å; K709-E713 WeakPolarHBondContact O-CB 3.34Å; K709-E713 WeakPolarHBondContact O-CG 3.14Å; K709-E713 PolarHBondContact O-N 3.21Å; E713-N716 PolarHBondContact O-N 2.98Å; E713-M717 WeakPolarHBondContact O-CB 3.43Å; E713-M717 VanDerWaalsContact O-CG 3.32Å; E713-M717 WeakPolarHBondContact O-CG 3.39Å; E713-M717 PolarHBondContact O-N 2.59Å
714K56.5Low55.8Low133 Ų133119.5 Ų119.558%0.57861%0.614SS**Hα-helixtrans-65.5-44.7173.1-168.3178.1175.9-171.40112.5A710 N716 M717 E718A710-K714 WeakPolarHBondContact O-CB 3.4Å; A710-K714 PolarHBondContact O-N 2.89Å; K714-N716 VanDerWaalsContact C-N 3.32Å; K714-N716 PolarHBondContact O-N 2.92Å; K714-M717 PolarHBondContact O-N 3.39Å; K714-E718 WeakPolarHBondContact CE-OE1 3.44Å; K714-E718 IonicContact NZ-OE1 2.71Å; K714-E718 WeakPolarHBondContact O-CG 3.36Å; K714-E718 PolarHBondContact O-N 2.88Å
715V56.2Low54Low76 Ų76120.1 Ų120.146%0.46162%0.618SS.*Hα-helixtrans-65.9-33.9176.8171.30000112S711 A712 R719S711-V715 WeakPolarHBondContact O-CG2 3.46Å; S711-V715 PolarHBondContact O-N 3.3Å; S711-V715 VanDerWaalsContact O-N 3.14Å; A712-V715 PolarHBondContact O-N 3.33Å; V715-R719 PolarHBondContact O-N 3.33Å
716N53.2Low52.2Low94 Ų94119.5 Ų119.550%0.50362%0.622SS.*Hα-helixtrans-71.8-40.1172.8-88.2-10.2000112.5A712 E713 K714 E718 R719 L720A712-N716 WeakPolarHBondContact O-CB 3.3Å; A712-N716 PolarHBondContact O-N 3.47Å; E713-N716 PolarHBondContact O-N 2.98Å; K714-N716 VanDerWaalsContact C-N 3.32Å; K714-N716 PolarHBondContact O-N 2.92Å; N716-E718 PolarHBondContact O-N 3.21Å; N716-R719 PolarHBondContact O-N 3.17Å; N716-L720 HydrophobicContact CB-CD1 4.48Å; N716-L720 WeakPolarHBondContact O-CB 3.39Å; N716-L720 PolarHBondContact O-N 3.43Å
717M47.2Very low50.5Low145 Ų145123.2 Ų123.271%0.71463%0.633SS**Hα-helixtrans-58.2-46.3172.8-81.7-80-72.600111.8E713 K714 R719 L720E713-M717 WeakPolarHBondContact O-CB 3.43Å; E713-M717 VanDerWaalsContact O-CG 3.32Å; E713-M717 WeakPolarHBondContact O-CG 3.39Å; E713-M717 PolarHBondContact O-N 2.59Å; K714-M717 PolarHBondContact O-N 3.39Å; M717-R719 PolarHBondContact O-N 3.39Å; M717-L720 PolarHBondContact O-N 3.49Å
718E48.7Very low48.6Very low125 Ų125124.9 Ų124.958%0.58464%0.641SS**Hα-helixtrans-69.4-18.3178.7-71174.2-179.300113.1K714 N716K714-E718 WeakPolarHBondContact CE-OE1 3.44Å; K714-E718 IonicContact NZ-OE1 2.71Å; K714-E718 WeakPolarHBondContact O-CG 3.36Å; K714-E718 PolarHBondContact O-N 2.88Å; N716-E718 PolarHBondContact O-N 3.21Å
719R48.2Very low46.6Very low191 Ų191126.6 Ų126.672%0.72165%0.65SS**Hα-helixtrans-90.8-36.7171.4-81.8-176.6161.1-174.6-5.5114.2V715 N716 M717 Q721 Q722V715-R719 PolarHBondContact O-N 3.33Å; N716-R719 PolarHBondContact O-N 3.17Å; M717-R719 PolarHBondContact O-N 3.39Å; R719-Q721 PolarHBondContact O-N 3.39Å; R719-Q722 PolarHBondContact O-N 3.05Å; R719-Q722 VanDerWaalsContact O-N 3.14Å
720L44.4Very low44.8Very low144 Ų144126.7 Ų126.775%0.75466%0.656SS**Hα-helixtrans-74.1-5-175.9-86.1158.8000114.4N716 M717 Q722N716-L720 HydrophobicContact CB-CD1 4.48Å; N716-L720 WeakPolarHBondContact O-CB 3.39Å; N716-L720 PolarHBondContact O-N 3.43Å; M717-L720 PolarHBondContact O-N 3.49Å; L720-Q722 VanDerWaalsContact C-N 3.28Å
721Q38.7Very low43Very low183 Ų183131.4 Ų131.486%0.85567%0.669SS**THydrogen-bonded Turntrans-887.7169-156.1153.835.500113.4R719R719-Q721 PolarHBondContact O-N 3.39Å
722Q40Very low41.4Very low151 Ų151135.1 Ų135.171%0.70668%0.683SS**SBendtrans-129.6136.5169.7-62-173.913.400111.5R719 L720R719-Q722 PolarHBondContact O-N 3.05Å; R719-Q722 VanDerWaalsContact O-N 3.14Å; L720-Q722 VanDerWaalsContact C-N 3.28Å
723Q34.4Very low40Very low200 Ų200137.4 Ų137.494%0.93570%0.695SS**  trans75.3117.3174.6-56.5-171.1-15.300117.4
724H31.9Very low38.7Very low169 Ų169139.1 Ų139.178%0.78271%0.712SS**  trans-87168.7-179.7-150.4-97.8000110.8
725N33.3Very low37.3Very low126 Ų126138.6 Ų138.667%0.67472%0.724SS**  trans101.4109.1157.8-56.6-36.9000121.1
726T35Very low36.4Very low112 Ų112141.2 Ų141.269%0.68774%0.743SS**  69.1102.6125.763.80000122.5
727D31.5Very low35.3Very low136 Ų136141.9 Ų141.973%0.72776%0.755SS**  87.4135.3112-68.6-45000124.8
728I32.6Very low34.5Very low161 Ų161139.1 Ų139.183%0.82675%0.75SS**  trans72.8139.4147.8-69.7161.5000118.6
729S28.8Very low33.6Very low97 Ų97139.8 Ų139.868%0.67876%0.762SS**  cis-172.7176.3-23.3-169.50000110.7
730L33.2Very low32.7Very low134 Ų134135.8 Ų135.870%0.70276%0.758SS**  trans86.3109.5159.3-55.2179.5000122.3
731Q27.8Very low31.8Very low152 Ų152135.7 Ų135.771%0.7175%0.754SS**  61.4109.9123.8-65.5177.1-21.500121.7
732N30.4Very low31.4Very low154 Ų154135.7 Ų135.782%0.82475%0.751SS**  172.6163.885.5-96.9-37.3000116
733S31.2Very low30.8Very low102 Ų102137.8 Ų137.871%0.71375%0.754SS**  trans78.281.8153.8-162.90000122.4
734V30.5Very low30.5Very low136 Ų136137.7 Ų137.782%0.82475%0.754SS**  50.7121.6128.9-175.90000120.8
735C27.1Very low30.4Very low122 Ų122135 Ų13582%0.82475%0.749SS**  trans-137.5151.4153.8-82.10000110.2
736P37Very low30.2Very low132 Ų132138.4 Ų138.486%0.85776%0.761SS**  trans-83.6113.9175.9-8.827.2000113.3
737S30Very low29.9Very low108 Ų108142 Ų14276%0.75577%0.77SS**  trans-68.8170.6150.6-119.80000110
738S29.8Very low29.8Very low87 Ų87141.2 Ų141.261%0.60878%0.776SS**  cis169.9158.3-24.752.50000107.8
739V29.7Very low29.9Very low139 Ų139136.5 Ų136.584%0.84276%0.757SS**  trans176.9109.1154.3136.20000104.9
740V28.7Very low30.1Very low106 Ų106137 Ų13764%0.64276%0.758SS**  cis63.8110.338.1-166.70000109.4
741E26.2Very low30.2Very low142 Ų142136.4 Ų136.466%0.66475%0.754SS**  cis-151.7172.425.8-125158.8-140.500107.9
742K31Very low30.6Very low183 Ų183134.2 Ų134.280%0.79675%0.747SS**  cis-164162.247.9-137.2158.1-163.3176.10112.4
743Y26.3Very low30.8Very low195 Ų195134.2 Ų134.277%0.76574%0.74SS**  trans-82.1153.9178.1-59.8-101.3000111.6
744E29.3Very low31.1Very low198 Ų198134.3 Ų134.393%0.92573%0.731SS**  -158.4139.1103-108.2165.4-16100112.8
745T27.9Very low31.5Very low112 Ų112131.1 Ų131.169%0.68772%0.715SS**  trans-87141.4-17634.20000112.6
746E30.5Very low31.9Very low199 Ų199135.5 Ų135.593%0.9371%0.714SS**  trans-125.3156.2137.9-75.2-151.6142.400110.6
747Q28.9Very low31.8Very low187 Ų187134.9 Ų134.987%0.87470%0.703SS**  trans-110.6126.7-163.7-59.6173.27.600111.3
748S29.8Very low32.2Very low120 Ų120135.4 Ų135.484%0.83970%0.696SS**  trans-145156159.758.70000110.4
749S32.8Very low32.5Very low61 Ų61136.2 Ų136.243%0.42770%0.698SS.*  trans-79.6149-159.782.70000113.9I751S749-I751 PolarHBondContact O-N 2.66Å
750P33.2Very low32.5Very low108 Ų108136.7 Ų136.770%0.70170%0.696SS**THydrogen-bonded Turntrans-63.3-1177.8-24.535.2000116.4
751I36.3Very low32.6Very low121 Ų121137.2 Ų137.262%0.62170%0.699SS**THydrogen-bonded Turntrans-85.7-40.6-172.5-61.1177.5000111.2S749 F753 I754 S755S749-I751 PolarHBondContact O-N 2.66Å; I751-F753 VanDerWaalsContact C-N 3.33Å; I751-F753 PolarHBondContact O-N 3.48Å; I751-I754 PolarHBondContact O-N 3.43Å; I751-S755 PolarHBondContact O-N 2.97Å; I751-S755 PolarHBondContact O-OG 3.37Å
752D36.6Very low32.6Very low106 Ų106142.1 Ų142.157%0.56771%0.712SS**Hα-helixtrans-71-26.8-176.8-69.2-49.3000113.6I754 S755 R756D752-I754 VanDerWaalsContact C-N 3.28Å; D752-I754 PolarHBondContact O-N 2.94Å; D752-S755 PolarHBondContact O-N 3.11Å; D752-R756 WeakPolarHBondContact O-CB 3.25Å; D752-R756 PolarHBondContact O-N 2.92Å; D752-R756 VanDerWaalsContact O-N 3.09Å
753F33.9Very low32.6Very low155 Ų155139.4 Ų139.468%0.6871%0.705SS**Hα-helixtrans-64.8-33.4175.2-167.2-100.6000112I751 L757I751-F753 VanDerWaalsContact C-N 3.33Å; I751-F753 PolarHBondContact O-N 3.48Å; F753-L757 HydrophobicContact CD1-CD1 4.01Å; F753-L757 HydrophobicContact CE1-CD1 3.58Å; F753-L757 HydrophobicContact CZ-CD1 4.12Å; F753-L757 PolarHBondContact O-N 3.17Å
754I38.4Very low32.9Very low103 Ų103137.5 Ų137.553%0.52870%0.702SS.*Hα-helixtrans-75.1-45.8176.7-61.7176.1000110.1I751 D752 R756 L757 I758I751-I754 PolarHBondContact O-N 3.43Å; D752-I754 VanDerWaalsContact C-N 3.28Å; D752-I754 PolarHBondContact O-N 2.94Å; I754-R756 PolarHBondContact O-N 3.07Å; I754-L757 PolarHBondContact O-N 2.93Å; I754-L757 VanDerWaalsContact O-N 3.1Å; I754-I758 HydrophobicContact CG2-CD1 3.83Å; I754-I758 PolarHBondContact O-N 3.32Å
755S38.3Very low32.8Very low70 Ų70133.1 Ų133.149%0.4969%0.694SS.*Hα-helixtrans-54.4-38.8176.5-60.40000112.9I751 D752 T759I751-S755 PolarHBondContact O-N 2.97Å; I751-S755 PolarHBondContact O-OG 3.37Å; D752-S755 PolarHBondContact O-N 3.11Å; S755-T759 PolarHBondContact O-OG1 3.37Å
756R34.4Very low32.9Very low213 Ų213136 Ų13680%0.80470%0.7SS**Hα-helixtrans-81.4-12.4-178-161.1169-178.4169.9-0.6114.3D752 I754D752-R756 WeakPolarHBondContact O-CB 3.25Å; D752-R756 PolarHBondContact O-N 2.92Å; D752-R756 VanDerWaalsContact O-N 3.09Å; I754-R756 PolarHBondContact O-N 3.07Å
757L36.1Very low32.9Very low120 Ų120130.1 Ų130.163%0.62869%0.685SS**Hα-helixtrans-91.5-21.6174.3-108155.4000112.9F753 I754F753-L757 HydrophobicContact CD1-CD1 4.01Å; F753-L757 HydrophobicContact CE1-CD1 3.58Å; F753-L757 HydrophobicContact CZ-CD1 4.12Å; F753-L757 PolarHBondContact O-N 3.17Å; I754-L757 PolarHBondContact O-N 2.93Å; I754-L757 VanDerWaalsContact O-N 3.1Å
758I38.3Very low33Very low118 Ų118127.8 Ų127.861%0.60568%0.679SS**Hα-helixtrans-86.5-18.3-178.8-68170.9000112.3I754 N760I754-I758 HydrophobicContact CG2-CD1 3.83Å; I754-I758 PolarHBondContact O-N 3.32Å; I758-N760 VanDerWaalsContact C-N 3.3Å; I758-N760 PolarHBondContact O-N 2.92Å
759T36Very low33Very low105 Ų105128 Ų12864%0.64467%0.67SS**THydrogen-bonded Turntrans-74.4-9.1-168.1-13.70000115.9S755S755-T759 PolarHBondContact O-OG1 3.37Å
760N29.8Very low32.9Very low148 Ų148131.8 Ų131.879%0.79169%0.686SS**THydrogen-bonded Turntrans-103.210.5-169.9-78.2-20.5000115.3I758I758-N760 VanDerWaalsContact C-N 3.3Å; I758-N760 PolarHBondContact O-N 2.92Å
761T31.3Very low32.9Very low118 Ų118131.5 Ų131.572%0.72469%0.686SS**SBendtrans-143.5131.1175.247.20000113.9
762W25.8Very low32.7Very low245 Ų245132 Ų13293%0.92869%0.69SS**  trans87.9166.7164.8-151.162.4000118.3
763I31.7Very low32.4Very low126 Ų126135.5 Ų135.565%0.64670%0.703SS**  trans77.4133.4-173.8-52.6177.6000113
764H31.3Very low32.1Very low154 Ų154133.5 Ų133.571%0.71371%0.705SS**  cis-135.1158.512.4-135.9-60.4000113.4
765S27.1Very low31.7Very low107 Ų107136.7 Ų136.775%0.74872%0.722SS**  trans-132.9149.9160.6173.50000109.7
766Q30.7Very low31Very low172 Ų172141 Ų14180%0.80473%0.734SS**  trans163.1155.2165.8-95.7168.118.100108.8
767A29.4Very low30.6Very low75 Ų75138.8 Ų138.862%0.6274%0.735SS**  cis-172.8174.3-23.800000109.7
768N30.9Very low30.2Very low139 Ų139140.2 Ų140.274%0.74374%0.743SS**  trans74.7142.3166.6-59.4-9.7000118.1
769N30.5Very low29.6Very low123 Ų123140.8 Ų140.866%0.65875%0.747SS**  cis-167159.3-16.8-109.5-12.2000111.6
770N32Very low29Very low142 Ų142143.1 Ų143.176%0.75976%0.755SS**  trans70.8121158.5-58.1-6.8000116.2
771S31.7Very low28.9Very low101 Ų101139.3 Ų139.371%0.70675%0.751SS**  88.9128.675.6-172.90000111
772D32.7Very low28.6Very low133 Ų133141.9 Ų141.971%0.71176%0.755SS**  cis-163.1170.2-1.3-121.8-63.4000112.8
773Q30.1Very low28.7Very low179 Ų179136.2 Ų136.284%0.83674%0.742SS**  trans70.9159.2159.3-73.4-179.714.100121.4
774P27.8Very low28.4Very low112 Ų112136.4 Ų136.473%0.72774%0.744SS**  trans-121.3176.5-159.943.8-31.7000115.5
775I29.6Very low28.2Very low170 Ų170135.5 Ų135.587%0.87275%0.745SS**  trans-160.8153.1150.8-102.5147000109.5
776E24.2Very low28.1Very low161 Ų161136.2 Ų136.275%0.75274%0.739SS**  trans-101.3159.6-178.2-55.6179.8119.900112.8
777M25.1Very low27.9Very low167 Ų167136.7 Ų136.782%0.82374%0.741SS**  trans57126161.5-60.3177-71.100118.6
778N27.4Very low27.9Very low149 Ų149138.5 Ų138.580%0.79775%0.75SS**  -175.7-175.586.7-156.56.6000111.5
779L26.4Very low27.7Very low130 Ų130139 Ų13968%0.68175%0.751SS**  trans-61.4161173.6-91.968.9000115.2
780D23.2Very low27.7Very low154 Ų154138.2 Ų138.282%0.82475%0.753SS**  trans61.2147.7152.2-59.9-28.4000119.8
781G27.9Very low27.5Very low68 Ų68137.8 Ų137.870%0.70175%0.751SS**  trans111.7121.9159.900000116.3
782E25.6Very low27.5Very low173 Ų173138.2 Ų138.281%0.80875%0.749SS**  72144.7113.6-103.8-173.8-161.400122.6
783L27.2Very low27.3Very low126 Ų126138.1 Ų138.166%0.6675%0.749SS**  trans63.9110.9154.5-56.4172.2000117.6
784N26.6Very low27.3Very low129 Ų129135.9 Ų135.969%0.6974%0.742SS**  70130.368.7-71.8-26.9000115.1
785N25.7Very low27.5Very low135 Ų135136 Ų13672%0.72274%0.737SS**  trans72.3153.2139.7-72.1-5.9000119.4
786I25Very low27.6Very low122 Ų122133.5 Ų133.563%0.62673%0.726SS**  cis-169.1171.3-28.4-129.1172.5000107.6
787Q26.4Very low27.9Very low183 Ų183132.2 Ų132.286%0.85572%0.724SS**  trans67164.2168.7-80.114712.900115.9
788S30.3Very low28.3Very low113 Ų113130 Ų13079%0.7972%0.715SS**  cis-137.1157.912.2610000115.9
789L26Very low28.6Very low148 Ų148128.2 Ų128.278%0.77571%0.706SS**  trans-61.4171.9174.5-126.875.1000114.2
790P30.7Very low28.7Very low107 Ų107128 Ų12870%0.69571%0.705SS**  -155.9155.268.741.1-20.1000120.8
791N28.9Very low29.2Very low133 Ų133127.1 Ų127.171%0.71170%0.701SS**  trans62.3149.2140.5-64.4-1000120.2
792T30Very low29.1Very low111 Ų111131.8 Ų131.868%0.68171%0.706SS**  cis-168.3155.6-0.817.10000106.2
793N29.7Very low29.3Very low131 Ų131128.8 Ų128.870%0.70169%0.694SS**  cis-154.8165.928.2-80.9-53000110.2
794N29.5Very low29.4Very low131 Ų131128.4 Ų128.470%0.70170%0.697SS**  trans48.7137.7149.4-74.144.8000121
795D32.8Very low29.5Very low115 Ų115128.6 Ų128.662%0.61570%0.698SS**  cis-145.5136.814.9-102.1-47.8000113.6
796N30.8Very low29.6Very low118 Ų118131.3 Ų131.363%0.63170%0.699SS**  trans56.1119.8142.4-57.6-44.6000123.2
797N31.8Very low29.7Very low133 Ų133133.2 Ų133.271%0.71171%0.705SS**  trans71.1144.5134.4-57.5-11.5000118.1
798N33Very low29.7Very low120 Ų120129.2 Ų129.264%0.64270%0.698SS**  cis-165.7156.6-1-101.1-2.9000107.9
799N32.3Very low29.7Very low112 Ų112129.8 Ų129.860%0.59969%0.692SS**  cis-165.7125.6-22.2-118-1000111.7
800N30.3Very low29.9Very low125 Ų125131.4 Ų131.467%0.66870%0.696SS**  trans71.7153.5140.2-54.2-25.2000123.6
801N33.8Very low29.8Very low137 Ų137133 Ų13373%0.73370%0.698SS**  trans68.5104.2162.4-56.6-14.6000116.4
802M24.7Very low29.8Very low165 Ų165132 Ų13281%0.81369%0.689SS**  cis70.8155.523.8-141.5-83.3-76.500113.9
803I30.4Very low30.1Very low110 Ų110134.3 Ų134.356%0.56469%0.692SS**  trans99.4126.4166.2-57.9175.6000117.6
804T29.7Very low30.4Very low118 Ų118135.5 Ų135.572%0.72470%0.695SS**  trans69.7153.1157.558.90000120.6
805L28.2Very low30.4Very low133 Ų133136.3 Ų136.370%0.69670%0.699SS**  cis-165.1151.9-16.9-97162.2000108.9
806Y27.3Very low30.6Very low192 Ų192134.9 Ų134.975%0.75369%0.694SS**  trans41.9134.9139.6-72.1-131.7000119.8
807Q27.9Very low30.4Very low162 Ų162139.7 Ų139.776%0.75770%0.703SS**  65.2131.562.2-159.2-179.928.900114.3
808S26.6Very low30.3Very low100 Ų100137.6 Ų137.670%0.69969%0.689SS**  trans71.6101.7175.3-54.90000118
809N28.9Very low30.1Very low124 Ų124138.4 Ų138.466%0.66369%0.694SS**  -178.493.1118.1-92.7-5.5000111.8Q812N809-Q812 HydrophobicContact CB-CB 4.27Å
810E30.7Very low30Very low183 Ų183139.9 Ų139.986%0.85570%0.701SS**SBendtrans-62.4167.8154.2-65169.6114.800110Q812E810-Q812 PolarHBondContact O-N 3.38Å
811L28.7Very low29.9Very low140 Ų140140.8 Ų140.873%0.73370%0.703SS**SBendtrans65.3-29.3175.9-55.9170.8000117.8
812Q28.9Very low29.6Very low112 Ų112139.9 Ų139.952%0.52370%0.698SS.*SBendtrans-71.1-41-175.6-167.774.568.500113.4N809 E810 M814 L815 T816N809-Q812 HydrophobicContact CB-CB 4.27Å; E810-Q812 PolarHBondContact O-N 3.38Å; Q812-M814 PolarHBondContact O-N 2.99Å; Q812-L815 PolarHBondContact O-N 3.19Å; Q812-T816 PolarHBondContact NE2-OG1 3.08Å; Q812-T816 PolarHBondContact O-OG1 3.26Å
813E37.4Very low29.9Very low159 Ų159140.9 Ų140.974%0.74370%0.698SS**THydrogen-bonded Turntrans-74.9-13.6-177.7-164.3150.9-132.900112.7L815E813-L815 VanDerWaalsContact C-N 3.34Å
814M34.5Very low29.8Very low156 Ų156142.1 Ų142.177%0.76871%0.706SS**THydrogen-bonded Turntrans-80.4-10.6175.3-155.3-174.2-62.200113.5Q812Q812-M814 PolarHBondContact O-N 2.99Å
815L30.9Very low29.8Very low149 Ų149144.4 Ų144.478%0.7871%0.713SS**THydrogen-bonded Turntrans-125.8-7.8-169.4-121.980.3000116.3Q812 E813Q812-L815 PolarHBondContact O-N 3.19Å; E813-L815 VanDerWaalsContact C-N 3.34Å
816T35.1Very low29.8Very low84 Ų84143 Ų14352%0.51571%0.712SS.*  trans-132.529.7-158.1-220000116.4Q812Q812-T816 PolarHBondContact NE2-OG1 3.08Å; Q812-T816 PolarHBondContact O-OG1 3.26Å
817R27.8Very low30Very low220 Ų220139.1 Ų139.183%0.8371%0.714SS**  trans-123.114.3170.6-76.3-164.4-175.6-128.55.4116.2
818Q29.2Very low30.1Very low88 Ų88138.3 Ų138.341%0.41171%0.714SS.*SBendtrans-75153.3145.8-77.2-164.1-17.200109.6
819N29.9Very low30Very low138 Ų138141.5 Ų141.574%0.73872%0.717SS**  trans80.2127.2166.8-71.9-58.8000120.8
820L29.5Very low30.1Very low143 Ų143142.3 Ų142.375%0.74972%0.721SS**  trans68.1148.3149.3-8677.1000119.1
821M27.9Very low30Very low144 Ų144139.6 Ų139.671%0.70971%0.712SS**  cis-169.6160.5-24.1-132.7179.1-16700109.9
822N27.5Very low30Very low117 Ų117140.5 Ų140.563%0.62671%0.712SS**  trans60.7135.4162.7-61-15.9000117.2
823F31.3Very low30Very low186 Ų186140.6 Ų140.682%0.81672%0.716SS**  -155134.167.4-94.3-81.8000114.4
824N29.1Very low29.8Very low137 Ų137139.1 Ų139.173%0.73372%0.718SS**  trans-9.5133.1153.6-49.9-24.8000119.5
825D28.7Very low29.6Very low165 Ų165136.8 Ų136.888%0.88271%0.713SS**  trans-138.6140.3131.6-154.423.8000107.8
826P29.1Very low29.6Very low103 Ų103136.5 Ų136.567%0.66971%0.712SS**  trans-106.6171.6-160.139.6-34.3000115.6
827S31.2Very low29.5Very low112 Ų112140.7 Ų140.778%0.78373%0.726SS**  trans82.4119-179.8-31.80000113.2
828L29.5Very low29.6Very low145 Ų145135 Ų13576%0.75971%0.711SS**  cis-133.1132.52.4-69.5162.6000107.6
829Q25.1Very low30.1Very low166 Ų166133.3 Ų133.378%0.77671%0.709SS**  42.311698.4-58.5-179.42.800112.8
830L29.2Very low30.1Very low142 Ų142129.9 Ų129.974%0.74369%0.691SS**  cis-142.1132.536.7-70.8160.1000114.8
831N30.1Very low30.5Very low126 Ų126128.2 Ų128.267%0.67468%0.682SS**  trans60.3118135.8-52.20.9000120.1
832H27.4Very low31.2Very low158 Ų158123.8 Ų123.873%0.73166%0.662SS**  66.312565.1-72.8-82.9000112.7
833D30.9Very low31.8Very low114 Ų114121.1 Ų121.161%0.6165%0.65SS**  cis-151.9178.25.9-110.7-43.8000110.1
834T32.1Very low32Very low128 Ų128118.8 Ų118.879%0.78564%0.639SS**  cis-157.5112.639.4-450000114.6
835V30.7Very low32.7Very low108 Ų108117 Ų11766%0.65563%0.63SS**  trans34.3121.6130.2-172.90000122.8
836N31Very low33.1Very low143 Ų143116 Ų11677%0.76562%0.618SS**  trans-25.2140.2156.2-43.1-24.4000120
837Q32.5Very low33.6Very low171 Ų171118 Ų11880%0.79962%0.62SS**  176.9132.7121.8-104.1170.58600114.7H859Q837-H859 PolarHBondContact O-CE1 3.42Å
838L29.9Very low33.8Very low100 Ų100121.2 Ų121.252%0.52462%0.62SS.*  trans179.8-176.7139.8-99.9159.4000106.8D842 H859 I861L838-D842 HydrophobicContact CB-CB 4.42Å; L838-D842 VanDerWaalsContact CD2-OD2 3.3Å; L838-D842 WeakPolarHBondContact CD2-OD2 3.39Å; L838-H859 WeakPolarHBondContact CD1-ND1 3.36Å; L838-I861 HydrophobicContact CB-CD1 3.3Å
839S39Very low33.8Very low53 Ų53121.8 Ų121.837%0.37162%0.621SS.*  trans-107166.2-164.280.60000115.4N841 D842 I861S839-N841 PolarHBondContact O-N 2.94Å; S839-N841 PolarHBondContact OG-N 2.98Å; S839-D842 WeakPolarHBondContact CA-OD2 3.4Å; S839-D842 VanDerWaalsContact CB-OD2 3.27Å; S839-D842 WeakPolarHBondContact CB-OD2 3.37Å; S839-D842 PolarHBondContact N-OD2 3.41Å; S839-D842 VanDerWaalsContact O-CB 3.31Å; S839-D842 WeakPolarHBondContact O-CB 3.47Å; S839-D842 PolarHBondContact O-N 3.28Å; S839-D842 PolarHBondContact OG-OD2 2.91Å; S839-I861 WeakPolarHBondContact O-CB 3.3Å; S839-I861 VanDerWaalsContact O-CG2 3.32Å; S839-I861 WeakPolarHBondContact O-CG2 3.19Å
840L30.3Very low34Very low67 Ų67121.5 Ų121.535%0.35162%0.617SS.*Hα-helixtrans-58.5-30.4175.5-137.4176.3000112.3D842 F844 Q862L840-D842 PolarHBondContact O-N 3.32Å; L840-F844 PolarHBondContact O-N 3Å; L840-Q862 VanDerWaalsContact CD2-O 3.22Å; L840-Q862 WeakPolarHBondContact CD2-O 3.19Å; L840-Q862 WeakPolarHBondContact CG-O 3.47Å
841N39Very low34.2Very low107 Ų107121.2 Ų121.257%0.57261%0.612SS**Hα-helixtrans-70.6-14.9172.8-102.3-5.7000113S839 F844 N845S839-N841 PolarHBondContact O-N 2.94Å; S839-N841 PolarHBondContact OG-N 2.98Å; N841-F844 PolarHBondContact O-N 3.38Å; N841-N845 WeakPolarHBondContact O-CB 3.42Å; N841-N845 PolarHBondContact O-N 3.49Å; N841-N845 PolarHBondContact O-ND2 3.5Å
842D42Very low34.2Very low51 Ų51120.1 Ų120.127%0.27361%0.605SS.*Hα-helixtrans-81.6-29.2-179.9-62.2-68.9000112.2L838 S839 L840 F846L838-D842 HydrophobicContact CB-CB 4.42Å; L838-D842 VanDerWaalsContact CD2-OD2 3.3Å; L838-D842 WeakPolarHBondContact CD2-OD2 3.39Å; S839-D842 WeakPolarHBondContact CA-OD2 3.4Å; S839-D842 VanDerWaalsContact CB-OD2 3.27Å; S839-D842 WeakPolarHBondContact CB-OD2 3.37Å; S839-D842 PolarHBondContact N-OD2 3.41Å; S839-D842 VanDerWaalsContact O-CB 3.31Å; S839-D842 WeakPolarHBondContact O-CB 3.47Å; S839-D842 PolarHBondContact O-N 3.28Å; S839-D842 PolarHBondContact OG-OD2 2.91Å; L840-D842 PolarHBondContact O-N 3.32Å; D842-F846 WeakPolarHBondContact O-CB 3.49Å; D842-F846 PolarHBondContact O-N 3.02Å
843V40.5Very low34.6Very low62 Ų62116.6 Ų116.638%0.37660%0.596SS.*Hα-helixtrans-66.7-43.7160.6158.60000110.9N845 F846 M847 N860 I861V843-N845 PolarHBondContact O-N 2.94Å; V843-F846 WeakPolarHBondContact O-CB 3.34Å; V843-F846 PolarHBondContact O-N 3.35Å; V843-F846 VanDerWaalsContact O-N 3.12Å; V843-M847 PolarHBondContact O-N 3.46Å; V843-N860 VanDerWaalsContact CG2-C 3.47Å; V843-N860 WeakPolarHBondContact CG2-O 3.42Å; V843-I861 VanDerWaalsContact CB-O 3.3Å; V843-I861 WeakPolarHBondContact CB-O 3.41Å; V843-I861 WeakPolarHBondContact CG2-O 3.27Å
844F35.3Very low35.1Very low136 Ų136117.5 Ų117.560%0.59660%0.601SS**Hα-helixtrans-67.9-21.5-178.7-140.1-94.8000113.1L840 N841 M847L840-F844 PolarHBondContact O-N 3Å; N841-F844 PolarHBondContact O-N 3.38Å; F844-M847 HydrophobicContact CZ-SD 4.45Å; F844-M847 WeakPolarHBondContact O-CB 3.46Å
845N43.5Very low35.5Very low100 Ų100114.9 Ų114.954%0.53559%0.593SS.*Hα-helixtrans-93.4-20.3170.4-74.9-67.9000114N841 V843 M847 K848N841-N845 WeakPolarHBondContact O-CB 3.42Å; N841-N845 PolarHBondContact O-N 3.49Å; N841-N845 PolarHBondContact O-ND2 3.5Å; V843-N845 PolarHBondContact O-N 2.94Å; N845-M847 PolarHBondContact O-N 3.1Å; N845-K848 PolarHBondContact O-N 3.34Å
846F36Very low35.5Very low143 Ų143113 Ų11363%0.62758%0.581SS**Hα-helixtrans-58.5-21.4161-156.1-98.9000111.2D842 V843 K848 H859D842-F846 WeakPolarHBondContact O-CB 3.49Å; D842-F846 PolarHBondContact O-N 3.02Å; V843-F846 WeakPolarHBondContact O-CB 3.34Å; V843-F846 PolarHBondContact O-N 3.35Å; V843-F846 VanDerWaalsContact O-N 3.12Å; F846-K848 VanDerWaalsContact C-N 3.27Å; F846-K848 PolarHBondContact O-N 2.96Å; F846-H859 WeakPolarHBondContact CD2-O 3.37Å; F846-H859 WeakPolarHBondContact CE2-O 3.47Å; F846-H859 WeakPolarHBondContact CG-O 3.43Å
847M40.2Very low35.3Very low145 Ų145110 Ų11071%0.71457%0.571SS**THydrogen-bonded Turntrans-72-0.7170.9-145.6-175.5-163.300115.3V843 F844 N845V843-M847 PolarHBondContact O-N 3.46Å; F844-M847 HydrophobicContact CZ-SD 4.45Å; F844-M847 WeakPolarHBondContact O-CB 3.46Å; N845-M847 PolarHBondContact O-N 3.1Å
848K35.3Very low35Very low181 Ų181109.7 Ų109.779%0.78757%0.57SS**THydrogen-bonded Turntrans-144-34.3-173.5-128.4160.9-171.1167.10122.8N845 F846N845-K848 PolarHBondContact O-N 3.34Å; F846-K848 VanDerWaalsContact C-N 3.27Å; F846-K848 PolarHBondContact O-N 2.96Å
849M30.7Very low35.1Very low156 Ų156108 Ų10877%0.76856%0.56SS**  trans-156.169.3-177.6-126.2175.298.600119.7
850K28.6Very low34.6Very low161 Ų161110.8 Ų110.870%0.757%0.57SS**  trans-156.7110143.2-114.4-178.1-179.4-177.10107.9
851Q33.3Very low34.6Very low135 Ų135108.2 Ų108.263%0.63156%0.556SS**  cis68.5155.731.1-140-169.18600113.9
852L31.3Very low34.2Very low103 Ų103108 Ų10854%0.53955%0.552SS.*THydrogen-bonded Turntrans-60.9136-162.4-78.843.6000113.2N854L852-N854 VanDerWaalsContact CA-C 3.46Å; L852-N854 WeakPolarHBondContact CA-O 3.48Å; L852-N854 HydrophobicContact CB-CB 4.06Å; L852-N854 WeakPolarHBondContact CD1-O 3.13Å; L852-N854 WeakPolarHBondContact CD2-ND2 3.42Å; L852-N854 HydrophobicContact CG-CB 3.87Å; L852-N854 VanDerWaalsContact CG-O 3.25Å; L852-N854 WeakPolarHBondContact CG-O 3.48Å
853P35.3Very low33.6Very low84 Ų84112.6 Ų112.655%0.54557%0.572SS.*THydrogen-bonded Turn-145.964.5105.938.2-19.9000112.9T856P853-T856 WeakPolarHBondContact CD-OG1 3.14Å; P853-T856 WeakPolarHBondContact CG-OG1 3.49Å
854N41.4Very low33.1Very low134 Ų134114.8 Ų114.872%0.71759%0.59SS**THydrogen-bonded Turncis-103.916.2-2.1-78.348.2000113.9L852L852-N854 VanDerWaalsContact CA-C 3.46Å; L852-N854 WeakPolarHBondContact CA-O 3.48Å; L852-N854 HydrophobicContact CB-CB 4.06Å; L852-N854 WeakPolarHBondContact CD1-O 3.13Å; L852-N854 WeakPolarHBondContact CD2-ND2 3.42Å; L852-N854 HydrophobicContact CG-CB 3.87Å; L852-N854 VanDerWaalsContact CG-O 3.25Å; L852-N854 WeakPolarHBondContact CG-O 3.48Å
855A40.4Very low32.9Very low73 Ų73113.3 Ų113.360%0.60360%0.603SS**THydrogen-bonded Turn-170.3134.7127.300000109
856T29.4Very low32.4Very low67 Ų67115 Ų11541%0.41162%0.617SS.*  trans-86.2137.4-171.8-54.20000113P853P853-T856 WeakPolarHBondContact CD-OG1 3.14Å; P853-T856 WeakPolarHBondContact CG-OG1 3.49Å
857S27.6Very low32Very low80 Ų80115.3 Ų115.356%0.55963%0.625SS**  trans-22.9156152-58.50000118.6
858Q26.5Very low31.6Very low166 Ų166113.5 Ų113.578%0.77663%0.627SS**  trans6197.7141.7-67.5155.5-22.200117.8
859H32.3Very low31.6Very low65 Ų65110.4 Ų110.430%0.30162%0.623SS.*  178.2127.1109.6-102.8-103.4000107.5Q837 L838 F846 I861Q837-H859 PolarHBondContact O-CE1 3.42Å; L838-H859 WeakPolarHBondContact CD1-ND1 3.36Å; F846-H859 WeakPolarHBondContact CD2-O 3.37Å; F846-H859 WeakPolarHBondContact CE2-O 3.47Å; F846-H859 WeakPolarHBondContact CG-O 3.43Å; H859-I861 WeakPolarHBondContact ND1-CD1 3.4Å
860N27.6Very low31.9Very low110 Ų110108.1 Ų108.159%0.58862%0.618SS**  cis80.1146.548.1-171.928.3000113.2V843V843-N860 VanDerWaalsContact CG2-C 3.47Å; V843-N860 WeakPolarHBondContact CG2-O 3.42Å
861I31.2Very low32.7Very low13 Ų13103.4 Ų103.47%0.06760%0.601CS.*  trans96.878.6171.7-53.1109.1000119.5L838 S839 V843 H859L838-I861 HydrophobicContact CB-CD1 3.3Å; S839-I861 WeakPolarHBondContact O-CB 3.3Å; S839-I861 VanDerWaalsContact O-CG2 3.32Å; S839-I861 WeakPolarHBondContact O-CG2 3.19Å; V843-I861 VanDerWaalsContact CB-O 3.3Å; V843-I861 WeakPolarHBondContact CB-O 3.41Å; V843-I861 WeakPolarHBondContact CG2-O 3.27Å; H859-I861 WeakPolarHBondContact ND1-CD1 3.4Å
862Q30.4Very low33.7Very low102 Ų102100.4 Ų100.448%0.47759%0.593SS.*  83.9121110.9-159.9163.27.200122L840L840-Q862 VanDerWaalsContact CD2-O 3.22Å; L840-Q862 WeakPolarHBondContact CD2-O 3.19Å; L840-Q862 WeakPolarHBondContact CG-O 3.47Å
863E29.3Very low35.3Very low148 Ų148102.4 Ų102.469%0.69260%0.599SS**  trans30.9119.5140.7-53.8169.8124.900121.5
864S29.8Very low36.9Very low109 Ų109101.6 Ų101.676%0.76260%0.596SS**  trans-149128.1132.463.10000109.7
865A31.6Very low38.2Very low104 Ų10499.2 Ų99.286%0.8658%0.583SS**  trans-90.3137.1-17800000112.3
866T33.3Very low39.7Very low135 Ų13598.4 Ų98.483%0.82858%0.576SS**  trans-139.8124.3162.451.50000109.3
867D26.8Very low41.8Very low150 Ų150102.9 Ų102.980%0.80259%0.587SS**  trans-64.7175.8161.8-68-64.4000111.2
868S31.5Very low44.1Very low107 Ų107103.3 Ų103.375%0.74858%0.581SS**SBendtrans81.9135.417178.90000118
869T35Very low46.1Very low117 Ų11799.8 Ų99.872%0.71857%0.567SS**  trans46.3103164.154.30000117.8D871T869-D871 PolarHBondContact O-N 2.81Å
870T36.6Very low48.3Very low108 Ų108102.6 Ų102.666%0.66358%0.578SS**  trans-58.2105.7152.5-51.40000108.4
871D45.8Very low50.6Low61 Ų61101.1 Ų101.133%0.32657%0.57SS.*  trans-59.9128.6-178.4157.348.6000111.4T869 Q873 S874 L875T869-D871 PolarHBondContact O-N 2.81Å; D871-Q873 PolarHBondContact O-N 3.17Å; D871-Q873 WeakPolarHBondContact OD1-CB 3.42Å; D871-Q873 PolarHBondContact OD1-N 3.31Å; D871-Q873 VanDerWaalsContact OD2-CB 3.22Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.49Å; D871-S874 WeakPolarHBondContact O-CB 3.35Å; D871-S874 PolarHBondContact O-N 3.1Å; D871-S874 VanDerWaalsContact O-N 3.1Å; D871-S874 WeakPolarHBondContact OD2-CB 3.29Å; D871-S874 PolarHBondContact OD2-N 2.76Å; D871-S874 PolarHBondContact OD2-OG 3.45Å; D871-L875 PolarHBondContact O-N 3.1Å
872P54Low52.4Low73 Ų73105.9 Ų105.947%0.47459%0.592SS.*Hα-helixtrans-62.7-28.4177.825.7-34.6000112.9L875 A876P872-L875 PolarHBondContact O-N 2.64Å; P872-A876 WeakPolarHBondContact O-CB 3.44Å; P872-A876 PolarHBondContact O-N 3.15Å
873Q64.7Low54.7Low144 Ų144105.8 Ų105.867%0.67359%0.594SS**Hα-helixtrans-63.2-43.1172.5-113.474.5900111.2D871 A876 Y877D871-Q873 PolarHBondContact O-N 3.17Å; D871-Q873 WeakPolarHBondContact OD1-CB 3.42Å; D871-Q873 PolarHBondContact OD1-N 3.31Å; D871-Q873 VanDerWaalsContact OD2-CB 3.22Å; D871-Q873 WeakPolarHBondContact OD2-CB 3.49Å; Q873-A876 PolarHBondContact O-N 3.13Å; Q873-Y877 WeakPolarHBondContact O-CB 3.49Å; Q873-Y877 PolarHBondContact O-N 2.78Å
874S69Low57.1Low67 Ų67102 Ų10247%0.46958%0.579SS.*Hα-helixtrans-68.2-39.8178.4-62.80000112.3D871 Y877 M878D871-S874 WeakPolarHBondContact O-CB 3.35Å; D871-S874 PolarHBondContact O-N 3.1Å; D871-S874 VanDerWaalsContact O-N 3.1Å; D871-S874 WeakPolarHBondContact OD2-CB 3.29Å; D871-S874 PolarHBondContact OD2-N 2.76Å; D871-S874 PolarHBondContact OD2-OG 3.45Å; S874-Y877 PolarHBondContact O-N 3.29Å; S874-M878 PolarHBondContact O-N 3.29Å
875L69.3Low59.5Low85 Ų8599.4 Ų99.445%0.44556%0.564SS.*Hα-helixtrans-64.8-44172-169.673.8000111.3D871 P872 Y877 M878 L879D871-L875 PolarHBondContact O-N 3.1Å; P872-L875 PolarHBondContact O-N 2.64Å; L875-Y877 VanDerWaalsContact C-N 3.32Å; L875-Y877 PolarHBondContact O-N 3.05Å; L875-M878 PolarHBondContact O-N 3.09Å; L875-L879 HydrophobicContact CG-CD1 4.24Å; L875-L879 WeakPolarHBondContact O-CB 3.3Å; L875-L879 PolarHBondContact O-N 2.74Å
876A71.6Confident61.7Low56 Ų5698.5 Ų98.546%0.46354%0.544SS..Hα-helixtrans-63.2-36.3176.100000112.2P872 Q873 K880P872-A876 WeakPolarHBondContact O-CB 3.44Å; P872-A876 PolarHBondContact O-N 3.15Å; Q873-A876 PolarHBondContact O-N 3.13Å; A876-K880 WeakPolarHBondContact O-CB 3.5Å; A876-K880 PolarHBondContact O-N 2.93Å
877Y75.1Confident63.9Low161 Ų16195.8 Ų95.863%0.63153%0.525SS*.Hα-helixtrans-68.1-37.4174.1-162-97.5000111.9Q873 S874 L875 K880 N881Q873-Y877 WeakPolarHBondContact O-CB 3.49Å; Q873-Y877 PolarHBondContact O-N 2.78Å; S874-Y877 PolarHBondContact O-N 3.29Å; L875-Y877 VanDerWaalsContact C-N 3.32Å; L875-Y877 PolarHBondContact O-N 3.05Å; Y877-K880 PolarHBondContact O-N 3.4Å; Y877-N881 WeakPolarHBondContact CD1-ND2 3.43Å; Y877-N881 WeakPolarHBondContact CE1-ND2 3.41Å; Y877-N881 PolarHBondContact O-N 3.09Å; Y877-N881 PolarHBondContact O-ND2 3.32Å
878M74.5Confident66.4Low89 Ų8993.3 Ų93.344%0.43851%0.511SS..Hα-helixtrans-67.3-47.4175.3-159.8-169-50.300111.8S874 L875 K880 N881 Q882S874-M878 PolarHBondContact O-N 3.29Å; L875-M878 PolarHBondContact O-N 3.09Å; M878-K880 VanDerWaalsContact C-N 3.31Å; M878-K880 PolarHBondContact O-N 3.04Å; M878-N881 PolarHBondContact O-N 3.14Å; M878-Q882 PolarHBondContact O-N 3.18Å
879L68Low68.8Low91 Ų9194.1 Ų94.148%0.47650%0.503SS..Hα-helixtrans-60.5-39.4173.4-78.5166.7000111.8L875 Q882 L883L875-L879 HydrophobicContact CG-CD1 4.24Å; L875-L879 WeakPolarHBondContact O-CB 3.3Å; L875-L879 PolarHBondContact O-N 2.74Å; L879-Q882 PolarHBondContact O-N 3.08Å; L879-L883 WeakPolarHBondContact O-CB 3.1Å; L879-L883 PolarHBondContact O-N 2.79Å
880K80Confident70.8Confident124 Ų12492 Ų9254%0.53949%0.487SS..Hα-helixtrans-64.8-44175.3-178.3161.6-176.5168.20112.1A876 Y877 M878 Q882 L883 D884A876-K880 WeakPolarHBondContact O-CB 3.5Å; A876-K880 PolarHBondContact O-N 2.93Å; Y877-K880 PolarHBondContact O-N 3.4Å; M878-K880 VanDerWaalsContact C-N 3.31Å; M878-K880 PolarHBondContact O-N 3.04Å; K880-Q882 VanDerWaalsContact C-N 3.29Å; K880-Q882 PolarHBondContact O-N 2.86Å; K880-L883 PolarHBondContact O-N 2.88Å; K880-D884 WeakPolarHBondContact CE-OD2 3.31Å; K880-D884 WeakPolarHBondContact CG-OD2 3.14Å; K880-D884 WeakPolarHBondContact O-CB 3.43Å; K880-D884 PolarHBondContact O-N 3.41Å
881N76.3Confident72.9Confident80 Ų8093.4 Ų93.443%0.42848%0.484SS..Hα-helixtrans-62.9-34.8174.8-72.8-46.8000112.4Y877 M878 A885Y877-N881 WeakPolarHBondContact CD1-ND2 3.43Å; Y877-N881 WeakPolarHBondContact CE1-ND2 3.41Å; Y877-N881 PolarHBondContact O-N 3.09Å; Y877-N881 PolarHBondContact O-ND2 3.32Å; M878-N881 PolarHBondContact O-N 3.14Å; N881-A885 VanDerWaalsContact O-CB 3.29Å; N881-A885 WeakPolarHBondContact O-CB 3.22Å; N881-A885 PolarHBondContact O-N 3.07Å
882Q67.2Low74.7Confident112 Ų11296.5 Ų96.552%0.52350%0.499SS..Hα-helixtrans-68.3-43.5172.9-74.7-175.7-26.500112.2M878 L879 K880 A885 I886M878-Q882 PolarHBondContact O-N 3.18Å; L879-Q882 PolarHBondContact O-N 3.08Å; K880-Q882 VanDerWaalsContact C-N 3.29Å; K880-Q882 PolarHBondContact O-N 2.86Å; Q882-A885 PolarHBondContact O-N 2.79Å; Q882-I886 WeakPolarHBondContact O-CB 3.38Å; Q882-I886 VanDerWaalsContact O-CG1 3.27Å; Q882-I886 WeakPolarHBondContact O-CG1 3.4Å; Q882-I886 PolarHBondContact O-N 2.7Å
883L78.9Confident75.7Confident100 Ų10097.8 Ų97.852%0.52450%0.501SS..Hα-helixtrans-61.5-43.5173.4-82.3163.8000112L879 K880 A885 I886 N887L879-L883 WeakPolarHBondContact O-CB 3.1Å; L879-L883 PolarHBondContact O-N 2.79Å; K880-L883 PolarHBondContact O-N 2.88Å; L883-A885 VanDerWaalsContact C-N 3.35Å; L883-I886 PolarHBondContact O-N 2.99Å; L883-N887 VanDerWaalsContact O-CB 3.26Å; L883-N887 WeakPolarHBondContact O-CB 3.41Å; L883-N887 PolarHBondContact O-N 3.1Å; L883-N887 PolarHBondContact O-ND2 2.67Å
884D80.1Confident76.2Confident68 Ų6896.7 Ų96.736%0.36450%0.496SS..Hα-helixtrans-68.7-33177.8-71.9-26.3000111.4K880 N888K880-D884 WeakPolarHBondContact CE-OD2 3.31Å; K880-D884 WeakPolarHBondContact CG-OD2 3.14Å; K880-D884 WeakPolarHBondContact O-CB 3.43Å; K880-D884 PolarHBondContact O-N 3.41Å; D884-N888 WeakPolarHBondContact O-CB 3.3Å; D884-N888 PolarHBondContact O-N 3.25Å; D884-N888 VanDerWaalsContact O-N 3.08Å; D884-N888 PolarHBondContact O-ND2 2.85Å
885A80.9Confident76.7Confident55 Ų5599.8 Ų99.846%0.45550%0.503SS..Hα-helixtrans-65.2-49.9170.100000111.9N881 Q882 L883 N887 N888 E889N881-A885 VanDerWaalsContact O-CB 3.29Å; N881-A885 WeakPolarHBondContact O-CB 3.22Å; N881-A885 PolarHBondContact O-N 3.07Å; Q882-A885 PolarHBondContact O-N 2.79Å; L883-A885 VanDerWaalsContact C-N 3.35Å; A885-N887 VanDerWaalsContact C-N 3.33Å; A885-N887 PolarHBondContact O-N 2.82Å; A885-N888 PolarHBondContact O-N 3.38Å; A885-N888 VanDerWaalsContact O-N 3.12Å; A885-E889 PolarHBondContact O-N 2.76Å
886I76.4Confident77.3Confident85 Ų85102 Ų10244%0.43651%0.511SS..Hα-helixtrans-60.9-41.3177.4-69.6164.3000110.9Q882 L883 N888 E889 I890Q882-I886 WeakPolarHBondContact O-CB 3.38Å; Q882-I886 VanDerWaalsContact O-CG1 3.27Å; Q882-I886 WeakPolarHBondContact O-CG1 3.4Å; Q882-I886 PolarHBondContact O-N 2.7Å; L883-I886 PolarHBondContact O-N 2.99Å; I886-N888 VanDerWaalsContact C-N 3.31Å; I886-N888 PolarHBondContact O-N 3.28Å; I886-E889 PolarHBondContact O-N 2.86Å; I886-I890 HydrophobicContact CG2-CD1 3.74Å; I886-I890 HydrophobicContact CG2-CG1 4.35Å; I886-I890 WeakPolarHBondContact O-CB 3.37Å; I886-I890 VanDerWaalsContact O-CG1 3.27Å; I886-I890 WeakPolarHBondContact O-CG1 3.44Å; I886-I890 PolarHBondContact O-N 3.49Å
887N80.5Confident77.7Confident79 Ų79104.5 Ų104.542%0.42251%0.512SS..Hα-helixtrans-65-32.8176.1-75.6-34.6000112.6L883 A885 K891L883-N887 VanDerWaalsContact O-CB 3.26Å; L883-N887 WeakPolarHBondContact O-CB 3.41Å; L883-N887 PolarHBondContact O-N 3.1Å; L883-N887 PolarHBondContact O-ND2 2.67Å; A885-N887 VanDerWaalsContact C-N 3.33Å; A885-N887 PolarHBondContact O-N 2.82Å; N887-K891 WeakPolarHBondContact O-CB 3.4Å; N887-K891 WeakPolarHBondContact O-CG 3.34Å; N887-K891 PolarHBondContact O-N 2.81Å
888N79.3Confident78Confident97 Ų9799.4 Ų99.452%0.51950%0.503SS..Hα-helixtrans-74.9-36.9173.6-76.5-51000112.2D884 A885 I886 K891 L892D884-N888 WeakPolarHBondContact O-CB 3.3Å; D884-N888 PolarHBondContact O-N 3.25Å; D884-N888 VanDerWaalsContact O-N 3.08Å; D884-N888 PolarHBondContact O-ND2 2.85Å; A885-N888 PolarHBondContact O-N 3.38Å; A885-N888 VanDerWaalsContact O-N 3.12Å; I886-N888 VanDerWaalsContact C-N 3.31Å; I886-N888 PolarHBondContact O-N 3.28Å; N888-K891 PolarHBondContact O-N 3.43Å; N888-L892 PolarHBondContact O-N 3.34Å
889E81.8Confident78.2Confident124 Ų12498.1 Ų98.158%0.57950%0.5SS*.Hα-helixtrans-66-43.6173.2-171.5167.7-155.600111.3A885 I886 K891 L892 I893A885-E889 PolarHBondContact O-N 2.76Å; I886-E889 PolarHBondContact O-N 2.86Å; E889-K891 VanDerWaalsContact C-N 3.31Å; E889-K891 PolarHBondContact O-N 3.29Å; E889-L892 WeakPolarHBondContact O-CB 3.48Å; E889-L892 PolarHBondContact O-N 3.31Å; E889-L892 VanDerWaalsContact O-N 3.15Å; E889-I893 HydrophobicContact CG-CD1 4.09Å; E889-I893 WeakPolarHBondContact O-CG1 3.46Å; E889-I893 PolarHBondContact O-N 3.43Å
890I76.4Confident78.5Confident73 Ų7397.6 Ų97.637%0.37450%0.5SS..Hα-helixtrans-59.1-40.7171.4-70.6168.9000111.1I886 I893 Q894I886-I890 HydrophobicContact CG2-CD1 3.74Å; I886-I890 HydrophobicContact CG2-CG1 4.35Å; I886-I890 WeakPolarHBondContact O-CB 3.37Å; I886-I890 VanDerWaalsContact O-CG1 3.27Å; I886-I890 WeakPolarHBondContact O-CG1 3.44Å; I886-I890 PolarHBondContact O-N 3.49Å; I890-I893 PolarHBondContact O-N 3.43Å; I890-Q894 HydrophobicContact CG2-CG 4.35Å; I890-Q894 WeakPolarHBondContact O-CB 3.39Å; I890-Q894 VanDerWaalsContact O-CG 3.24Å; I890-Q894 WeakPolarHBondContact O-CG 3.26Å; I890-Q894 PolarHBondContact O-N 2.95Å
891K82.2Confident78.3Confident138 Ų13896.3 Ų96.360%0.650%0.496SS*.Hα-helixtrans-65.2-38.7174.1-84.2179.8175.8178.90113.2N887 N888 E889 Q894 H895N887-K891 WeakPolarHBondContact O-CB 3.4Å; N887-K891 WeakPolarHBondContact O-CG 3.34Å; N887-K891 PolarHBondContact O-N 2.81Å; N888-K891 PolarHBondContact O-N 3.43Å; E889-K891 VanDerWaalsContact C-N 3.31Å; E889-K891 PolarHBondContact O-N 3.29Å; K891-Q894 PolarHBondContact O-N 3.46Å; K891-H895 WeakPolarHBondContact O-CB 3.4Å; K891-H895 PolarHBondContact O-N 3.48Å
892L82.5Confident78.3Confident125 Ų12598.9 Ų98.965%0.65451%0.507SS*.Hα-helixtrans-62.7-47.8173.5-94.8157.2000111N888 E889 Q894 H895 E896N888-L892 PolarHBondContact O-N 3.34Å; E889-L892 WeakPolarHBondContact O-CB 3.48Å; E889-L892 PolarHBondContact O-N 3.31Å; E889-L892 VanDerWaalsContact O-N 3.15Å; L892-Q894 VanDerWaalsContact C-N 3.33Å; L892-Q894 PolarHBondContact O-N 2.98Å; L892-H895 PolarHBondContact O-N 2.87Å; L892-E896 WeakPolarHBondContact O-CB 3.38Å; L892-E896 PolarHBondContact O-N 2.9Å
893I74.2Confident78.5Confident100 Ų10098 Ų9851%0.51351%0.506SS..Hα-helixtrans-62.1-39.2175.7-66.7164.6000111.3E889 I890 E896 K897E889-I893 HydrophobicContact CG-CD1 4.09Å; E889-I893 WeakPolarHBondContact O-CG1 3.46Å; E889-I893 PolarHBondContact O-N 3.43Å; I890-I893 PolarHBondContact O-N 3.43Å; I893-E896 PolarHBondContact O-N 2.94Å; I893-K897 VanDerWaalsContact O-CB 3.3Å; I893-K897 WeakPolarHBondContact O-CB 3.48Å; I893-K897 PolarHBondContact O-N 2.83Å
894Q76.6Confident78.1Confident122 Ų12295.7 Ų95.757%0.5750%0.501SS*.Hα-helixtrans-68.1-37.4175.2-77.1175.4-2.100112.5I890 K891 L892 A898I890-Q894 HydrophobicContact CG2-CG 4.35Å; I890-Q894 WeakPolarHBondContact O-CB 3.39Å; I890-Q894 VanDerWaalsContact O-CG 3.24Å; I890-Q894 WeakPolarHBondContact O-CG 3.26Å; I890-Q894 PolarHBondContact O-N 2.95Å; K891-Q894 PolarHBondContact O-N 3.46Å; L892-Q894 VanDerWaalsContact C-N 3.33Å; L892-Q894 PolarHBondContact O-N 2.98Å; Q894-A898 WeakPolarHBondContact O-CB 3.2Å; Q894-A898 PolarHBondContact O-N 3.27Å
895H79.7Confident77.8Confident132 Ų13297 Ų9761%0.61151%0.509SS*.Hα-helixtrans-69.1-41.7174-174.2-71.6000111.4K891 L892 A898 T899K891-H895 WeakPolarHBondContact O-CB 3.4Å; K891-H895 PolarHBondContact O-N 3.48Å; L892-H895 PolarHBondContact O-N 2.87Å; H895-A898 PolarHBondContact O-N 3.44Å; H895-T899 PolarHBondContact CE1-OG1 3.45Å; H895-T899 PolarHBondContact ND1-OG1 3.42Å; H895-T899 WeakPolarHBondContact O-CB 3.4Å; H895-T899 PolarHBondContact O-N 2.78Å; H895-T899 PolarHBondContact O-OG1 3.24Å
896E80.3Confident77.2Confident130 Ų13097.2 Ų97.261%0.60750%0.5SS*.Hα-helixtrans-65.8-39.4175.2-171.7168.3-151.100111.3L892 I893 T899 T900L892-E896 WeakPolarHBondContact O-CB 3.38Å; L892-E896 PolarHBondContact O-N 2.9Å; I893-E896 PolarHBondContact O-N 2.94Å; E896-T899 PolarHBondContact O-N 3.46Å; E896-T900 WeakPolarHBondContact O-CB 3.14Å; E896-T900 WeakPolarHBondContact O-CG2 3.28Å; E896-T900 PolarHBondContact O-N 3.08Å; E896-T900 PolarHBondContact O-OG1 3.45Å
897K80.7Confident76.6Confident110 Ų11097.5 Ų97.548%0.47850%0.502SS..Hα-helixtrans-59-53.3168.6-175.9-178.5180-77.10110.9I893 T899 T900 E901I893-K897 VanDerWaalsContact O-CB 3.3Å; I893-K897 WeakPolarHBondContact O-CB 3.48Å; I893-K897 PolarHBondContact O-N 2.83Å; K897-T899 PolarHBondContact O-N 3.27Å; K897-T900 WeakPolarHBondContact CA-OG1 3.42Å; K897-T900 PolarHBondContact O-N 2.77Å; K897-T900 PolarHBondContact O-OG1 3.27Å; K897-T900 VanDerWaalsContact O-OG1 3.05Å; K897-E901 IonicContact NZ-OE1 3.8Å; K897-E901 PolarHBondContact NZ-OE1 2.9Å; K897-E901 IonicContact NZ-OE2 2.72Å; K897-E901 PolarHBondContact NZ-OE2 2.74Å; K897-E901 WeakPolarHBondContact O-CB 3.45Å; K897-E901 PolarHBondContact O-N 2.82Å
898A81Confident75.3Confident54 Ų54101 Ų10145%0.44651%0.513SS..Hα-helixtrans-60.4-35.8179.900000112.2Q894 H895 M902Q894-A898 WeakPolarHBondContact O-CB 3.2Å; Q894-A898 PolarHBondContact O-N 3.27Å; H895-A898 PolarHBondContact O-N 3.44Å; A898-M902 VanDerWaalsContact O-CB 3.26Å; A898-M902 WeakPolarHBondContact O-CB 3.47Å; A898-M902 PolarHBondContact O-N 2.98Å
899T79.8Confident74.4Confident61 Ų6198.9 Ų98.937%0.37451%0.514SS..Hα-helixtrans-68.5-43.8176.1-53.50000111.3H895 E896 K897 L903H895-T899 PolarHBondContact CE1-OG1 3.45Å; H895-T899 PolarHBondContact ND1-OG1 3.42Å; H895-T899 WeakPolarHBondContact O-CB 3.4Å; H895-T899 PolarHBondContact O-N 2.78Å; H895-T899 PolarHBondContact O-OG1 3.24Å; E896-T899 PolarHBondContact O-N 3.46Å; K897-T899 PolarHBondContact O-N 3.27Å; T899-L903 WeakPolarHBondContact O-CB 3.32Å; T899-L903 PolarHBondContact O-N 3.13Å
900T74Confident73.1Confident80 Ų8099.9 Ų99.949%0.49151%0.513SS..Hα-helixtrans-73.8-30.217846.90000113.1E896 K897 L903 A904E896-T900 WeakPolarHBondContact O-CB 3.14Å; E896-T900 WeakPolarHBondContact O-CG2 3.28Å; E896-T900 PolarHBondContact O-N 3.08Å; E896-T900 PolarHBondContact O-OG1 3.45Å; K897-T900 WeakPolarHBondContact CA-OG1 3.42Å; K897-T900 PolarHBondContact O-N 2.77Å; K897-T900 PolarHBondContact O-OG1 3.27Å; K897-T900 VanDerWaalsContact O-OG1 3.05Å; T900-L903 PolarHBondContact O-N 2.74Å; T900-A904 VanDerWaalsContact O-CB 3.28Å; T900-A904 WeakPolarHBondContact O-CB 3.45Å; T900-A904 PolarHBondContact O-N 3.43Å
901E75.7Confident71.5Confident97 Ų97103.9 Ų103.945%0.45353%0.528SS..Hα-helixtrans-69.9-42.6172.5-165.4157.7-126.900110.4K897 L903 A904 D905K897-E901 IonicContact NZ-OE1 3.8Å; K897-E901 PolarHBondContact NZ-OE1 2.9Å; K897-E901 IonicContact NZ-OE2 2.72Å; K897-E901 PolarHBondContact NZ-OE2 2.74Å; K897-E901 WeakPolarHBondContact O-CB 3.45Å; K897-E901 PolarHBondContact O-N 2.82Å; E901-L903 PolarHBondContact O-N 2.86Å; E901-A904 WeakPolarHBondContact O-CB 3.31Å; E901-A904 PolarHBondContact O-N 3.03Å; E901-D905 PolarHBondContact O-N 3.05Å
902M75.8Confident69.5Low134 Ų13499 Ų9966%0.6652%0.517SS*.Hα-helixtrans-68.5-31.4171.7-163.9-17676.700112.9A898 D905 E906A898-M902 VanDerWaalsContact O-CB 3.26Å; A898-M902 WeakPolarHBondContact O-CB 3.47Å; A898-M902 PolarHBondContact O-N 2.98Å; M902-D905 PolarHBondContact O-N 3.13Å; M902-E906 PolarHBondContact O-N 3.47Å
903L72.8Confident67.4Low93 Ų9398.6 Ų98.649%0.48752%0.52SS..Hα-helixtrans-71.8-35.5171.4-121.5169.3000111.9T899 T900 E901 E906 L907T899-L903 WeakPolarHBondContact O-CB 3.32Å; T899-L903 PolarHBondContact O-N 3.13Å; T900-L903 PolarHBondContact O-N 2.74Å; E901-L903 PolarHBondContact O-N 2.86Å; L903-E906 PolarHBondContact O-N 2.92Å; L903-L907 WeakPolarHBondContact O-CB 3.41Å; L903-L907 WeakPolarHBondContact O-CG 3.29Å; L903-L907 PolarHBondContact O-N 3.14Å
904A70.4Confident65.5Low52 Ų5299.4 Ų99.443%0.4353%0.53SS..Hα-helixtrans-65.6-40.1171.900000110.7T900 E901 L907 K908T900-A904 VanDerWaalsContact O-CB 3.28Å; T900-A904 WeakPolarHBondContact O-CB 3.45Å; T900-A904 PolarHBondContact O-N 3.43Å; E901-A904 WeakPolarHBondContact O-CB 3.31Å; E901-A904 PolarHBondContact O-N 3.03Å; A904-L907 PolarHBondContact O-N 3.13Å; A904-K908 WeakPolarHBondContact O-CB 3.14Å; A904-K908 PolarHBondContact O-N 2.96Å
905D72.1Confident63.4Low97 Ų97100.3 Ų100.352%0.51954%0.538SS..Hα-helixtrans-72.1-33.4173.8-80.1-24.4000113.1E901 M902 K908 G909E901-D905 PolarHBondContact O-N 3.05Å; M902-D905 PolarHBondContact O-N 3.13Å; D905-K908 PolarHBondContact O-N 3.21Å; D905-G909 PolarHBondContact O-N 2.94Å
906E69.6Low61.4Low59 Ų59101.4 Ų101.428%0.27655%0.547SS..Hα-helixtrans-65.6-39.8169-178.3169.1-165.600111M902 L903 G909 R910 A968M902-E906 PolarHBondContact O-N 3.47Å; L903-E906 PolarHBondContact O-N 2.92Å; E906-G909 PolarHBondContact O-N 2.81Å; E906-R910 HydrophobicContact CG-CG 4.39Å; E906-R910 WeakPolarHBondContact O-CB 3.38Å; E906-R910 VanDerWaalsContact O-CG 3.25Å; E906-R910 WeakPolarHBondContact O-CG 3.27Å; E906-R910 PolarHBondContact O-N 3.11Å; E906-R910 IonicContact OE1-CZ 3.6Å; E906-R910 VanDerWaalsContact OE1-CZ 3.26Å; E906-R910 IonicContact OE1-NE 3.48Å; E906-R910 PolarHBondContact OE1-NE 3.45Å; E906-R910 IonicContact OE1-NH2 2.85Å; E906-R910 PolarHBondContact OE1-NH2 3.04Å; E906-A968 WeakPolarHBondContact OE1-CB 3.29Å; E906-A968 PolarHBondContact OE1-N 3.14Å
907L63Low58.9Low91 Ų91101.2 Ų101.248%0.47655%0.55SS.*Hα-helixtrans-64.9-41172.4-77.9165000111.8L903 A904 G909 R910 F911L903-L907 WeakPolarHBondContact O-CB 3.41Å; L903-L907 WeakPolarHBondContact O-CG 3.29Å; L903-L907 PolarHBondContact O-N 3.14Å; A904-L907 PolarHBondContact O-N 3.13Å; L907-G909 VanDerWaalsContact C-N 3.34Å; L907-G909 PolarHBondContact O-N 2.86Å; L907-R910 CarbonylContact O-C 3.39Å; L907-R910 PolarHBondContact O-N 3.34Å; L907-F911 HydrophobicContact CD2-CE2 4.38Å; L907-F911 WeakPolarHBondContact O-CD2 3.33Å; L907-F911 PolarHBondContact O-N 3.42Å
908K54.2Low56.6Low152 Ų152102.1 Ų102.166%0.66156%0.564SS**Hα-helixtrans-66.9-34.5177.3-162.9174.5-177.6-176.80111.9A904 D905 G912A904-K908 WeakPolarHBondContact O-CB 3.14Å; A904-K908 PolarHBondContact O-N 2.96Å; D905-K908 PolarHBondContact O-N 3.21Å; K908-G912 VanDerWaalsContact O-CA 3.29Å; K908-G912 WeakPolarHBondContact O-CA 3.48Å; K908-G912 PolarHBondContact O-N 2.73Å
909G59.8Low54.3Low52 Ų52108.5 Ų108.554%0.53659%0.585SS.*Hα-helixtrans-70.6-36.3169.400000113.3D905 E906 L907D905-G909 PolarHBondContact O-N 2.94Å; E906-G909 PolarHBondContact O-N 2.81Å; L907-G909 VanDerWaalsContact C-N 3.34Å; L907-G909 PolarHBondContact O-N 2.86Å
910R53.6Low52.3Low145 Ų145112.4 Ų112.455%0.54760%0.603SS.*Hα-helixtrans-77.3-18.5177.5-74.4174.5179.6-82.4-16.9114.5E906 L907 A968E906-R910 HydrophobicContact CG-CG 4.39Å; E906-R910 WeakPolarHBondContact O-CB 3.38Å; E906-R910 VanDerWaalsContact O-CG 3.25Å; E906-R910 WeakPolarHBondContact O-CG 3.27Å; E906-R910 PolarHBondContact O-N 3.11Å; E906-R910 IonicContact OE1-CZ 3.6Å; E906-R910 VanDerWaalsContact OE1-CZ 3.26Å; E906-R910 IonicContact OE1-NE 3.48Å; E906-R910 PolarHBondContact OE1-NE 3.45Å; E906-R910 IonicContact OE1-NH2 2.85Å; E906-R910 PolarHBondContact OE1-NH2 3.04Å; L907-R910 CarbonylContact O-C 3.39Å; L907-R910 PolarHBondContact O-N 3.34Å; R910-A968 VanDerWaalsContact CZ-CB 3.46Å
911F43.4Very low50.3Low157 Ų157115.8 Ų115.869%0.68962%0.617SS**Hα-helixtrans-105.2-11.9171.3-80-84.9000113.5L907 T913L907-F911 HydrophobicContact CD2-CE2 4.38Å; L907-F911 WeakPolarHBondContact O-CD2 3.33Å; L907-F911 PolarHBondContact O-N 3.42Å; F911-T913 PolarHBondContact O-N 2.98Å; F911-T913 VanDerWaalsContact O-N 3.08Å
912G40.5Very low48.2Very low37 Ų37118.5 Ų118.538%0.38164%0.635SS.*THydrogen-bonded Turntrans-79.729.3-17900000115.6K908K908-G912 VanDerWaalsContact O-CA 3.29Å; K908-G912 WeakPolarHBondContact O-CA 3.48Å; K908-G912 PolarHBondContact O-N 2.73Å
913T38.3Very low46Very low116 Ų116120.3 Ų120.371%0.71265%0.647SS**THydrogen-bonded Turntrans-134.433.3174.867.20000112.8F911F911-T913 PolarHBondContact O-N 2.98Å; F911-T913 VanDerWaalsContact O-N 3.08Å
914T34.9Very low43.9Very low117 Ų117123.2 Ų123.272%0.71866%0.658SS**  trans-14557.2162.421.90000109.5I916T914-I916 PolarHBondContact O-N 3.09Å
915D31Very low42.1Very low140 Ų140127.2 Ų127.275%0.74967%0.666SS**  trans-68.589.9176.9-75.6-56.5000111.8N917D915-N917 PolarHBondContact O-N 3.28Å; D915-N917 VanDerWaalsContact O-N 3.1Å
916I38.3Very low40Very low156 Ų156132.8 Ų132.880%0.869%0.686SS**  trans-84.965.5159.7-53.6-174.9000108.6T914 V918T914-I916 PolarHBondContact O-N 3.09Å; I916-V918 WeakPolarHBondContact O-CG2 3.48Å; I916-V918 PolarHBondContact O-N 3.12Å
917N28.8Very low38.1Very low126 Ų126136 Ų13667%0.67471%0.709SS**  trans32.171.7144.5-165.313000118.1D915D915-N917 PolarHBondContact O-N 3.28Å; D915-N917 VanDerWaalsContact O-N 3.1Å
918V31.4Very low36.4Very low128 Ų128139.8 Ų139.878%0.77672%0.722SS**  trans-12441.9161.7-160.10000110.8I916I916-V918 WeakPolarHBondContact O-CG2 3.48Å; I916-V918 PolarHBondContact O-N 3.12Å
919H32.6Very low35.2Very low189 Ų189140 Ų14088%0.87573%0.73SS**SBendtrans-138.729.9175.7-103.957.7000113.3
920N37.9Very low33.7Very low143 Ų143146.3 Ų146.377%0.76575%0.746SS**SBendtrans-135.621.3166.7-153.222.5000114.5
921I32.8Very low32.5Very low150 Ų150149.2 Ų149.277%0.76976%0.758SS**SBendtrans-130.5110.3169.6-56.4177.7000107.3
922N31.1Very low32.1Very low155 Ų155145.6 Ų145.683%0.82976%0.758SS**SBendtrans145.9-10.5165.9-82.8-38.6000113.4
923N29.9Very low31.7Very low172 Ų172151.3 Ų151.392%0.9278%0.779SS**SBendtrans-112.316.5176.1-115.7-1.8000114.6
924E29Very low31.4Very low153 Ų153151 Ų15172%0.71578%0.782SS**SBendtrans-145.2160.4157.8-127.3171-158.800109.9
925F31.2Very low31Very low137 Ų137156.1 Ų156.160%0.60179%0.788SS**SBendtrans48.272.1-173.4-63.2-85.8000114.6K928F925-K928 HydrophobicContact CD1-CG 3.84Å; F925-K928 HydrophobicContact CE1-CG 3.94Å
926K28.7Very low31.1Very low214 Ų214155 Ų15593%0.9379%0.789SS**SBend-135.732.689.3-137.9166.7-170.7166.40116.9
927T29.1Very low30.7Very low125 Ų125155 Ų15577%0.76779%0.789SS**  trans-98.976.9148.143.30000110.7N929T927-N929 VanDerWaalsContact C-N 3.25Å; T927-N929 PolarHBondContact O-N 2.96Å
928K28.4Very low30.8Very low172 Ų172152.2 Ų152.275%0.74879%0.789SS**  trans-65.691.7157.1-88.4-169.1175.3-179.80108.2F925F925-K928 HydrophobicContact CD1-CG 3.84Å; F925-K928 HydrophobicContact CE1-CG 3.94Å
929N27.6Very low30.7Very low156 Ų156152.6 Ų152.683%0.83479%0.787SS**  trans-156.2101.8145.4-101.6-27.4000108.5T927T927-N929 VanDerWaalsContact C-N 3.25Å; T927-N929 PolarHBondContact O-N 2.96Å
930Q29.2Very low30.7Very low185 Ų185150.7 Ų150.786%0.86478%0.783SS**PPolyproline II helixtrans-59.1139.7176.1-68155.4-30.100109.9
931Y28.7Very low30.5Very low205 Ų205147.2 Ų147.280%0.80478%0.781SS**PPolyproline II helixtrans-67.4142.1158.3-99.5-97.1000109.3
932A34.3Very low30.5Very low82 Ų82146.8 Ų146.868%0.67878%0.78SS**PPolyproline II helixtrans-86.2140.8163.800000109.9
933D31.6Very low30.7Very low157 Ų157145.1 Ų145.184%0.8477%0.771SS**  trans73.1148.6152.3-103.5-44.5000122.5
934S32.8Very low30.7Very low110 Ų110142.8 Ų142.877%0.76976%0.759SS**  trans81.4118.8158.5-59.60000121.3
935R26.8Very low31Very low224 Ų224142.1 Ų142.185%0.84576%0.76SS**  trans-75.1162.3169.5-53.7169.2176.8179.2-4.9111.5
936P32.8Very low30.9Very low117 Ų117144.6 Ų144.676%0.7677%0.774SS**  -119.2152.987-425.6000111.8
937I29.6Very low31.2Very low156 Ų156138.6 Ų138.680%0.876%0.764SS**  63.5120.155.9-53.5168.8000113.3
938G30.5Very low31.5Very low66 Ų66138.4 Ų138.468%0.6876%0.758SS**  trans127.679.7141.200000118.6
939N31.1Very low31.8Very low136 Ų136139.2 Ų139.273%0.72776%0.757SS**  48.7144.5122.9-10151.5000123.5
940D32.5Very low32Very low149 Ų149139 Ų13980%0.79776%0.756SS**  trans67.8127.5148.7-53.4-35.6000119.6
941G32.2Very low32.3Very low70 Ų70133.7 Ų133.772%0.72275%0.75SS**  cis154.7-158.4-4.700000113.9
942N33.3Very low32.4Very low141 Ų141131.5 Ų131.575%0.75475%0.752SS**  trans68.799.3171.1-77.2-25.5000119
943N35Very low32.2Very low120 Ų120134.5 Ų134.564%0.64276%0.756SS**  91.4144.4111.8-65.4-15.8000120.8
944N31Very low32.1Very low123 Ų123132.7 Ų132.766%0.65875%0.751SS**  cis-174.8174.5-30.2-115.21.4000109.3
945N34.4Very low31.9Very low140 Ų140135.5 Ų135.575%0.74976%0.757SS**  trans75.6101.4166-47-42.5000114.4
946Q29.4Very low32.2Very low189 Ų189132.2 Ų132.288%0.88375%0.751SS**  cis86.695.535.4-159.8-177.916.400114.3
947A34.2Very low32Very low88 Ų88132.6 Ų132.673%0.72775%0.746SS**  trans-150.4125.4157.600000105.5
948D35.5Very low32.1Very low121 Ų121132.2 Ų132.265%0.64775%0.745SS**  51.8129.594.4-81.1-5.9000114
949R35.1Very low32.1Very low189 Ų189135.7 Ų135.771%0.71375%0.747SS**  cis-170.7159.4-1-123.5174.9-132.5178.616.1111.8
950N32.3Very low32.1Very low151 Ų151137.1 Ų137.181%0.80775%0.749SS**  trans30.5133.5142.7-53.1-7.7000122.4
951G36.3Very low32Very low73 Ų73135.2 Ų135.275%0.75375%0.747SS**  trans131.8115.6151.700000112.9
952N30Very low32.1Very low159 Ų159137.3 Ų137.385%0.8575%0.751SS**  cis74.4140.939.2-139.111.2000113.4
953L29.1Very low31.9Very low145 Ų145139.4 Ų139.476%0.75976%0.757SS**  trans76.197.9-178.3-56168.7000114.9
954T31.1Very low31.8Very low119 Ų119139.1 Ų139.173%0.7376%0.761SS**  82.4138.18454.70000116.1H956T954-H956 PolarHBondContact O-N 3.34Å
955L28.7Very low31.7Very low170 Ų170138.7 Ų138.789%0.8977%0.768SS**SBendtrans-66.590.4176.3-167.9175.5000111.2
956H32.2Very low31.5Very low154 Ų154136.5 Ų136.571%0.71377%0.769SS**  trans-163.6133.2169-126.6-89.4000113T954T954-H956 PolarHBondContact O-N 3.34Å
957D29.2Very low31.4Very low125 Ų125134.2 Ų134.267%0.66876%0.762SS**  trans49.5150.6155.9-63.9-30.5000124
958L30.2Very low31.4Very low149 Ų149132.4 Ų132.478%0.7875%0.747SS**  trans69.2111.4162.5-61.8141.4000116.1
959L31.1Very low31.4Very low138 Ų138131.6 Ų131.672%0.72375%0.751SS**  cis74.1126.345.5-56164.3000115.2
960H31.3Very low30.9Very low167 Ų167131.7 Ų131.777%0.77377%0.765SS**  trans69.4103164.6-52.2-64.5000119.3
961S31.5Very low30.8Very low108 Ų108128.9 Ų128.976%0.75576%0.757SS**  149.7162.897.464.70000114.5
962S34.1Very low30.4Very low115 Ų115132.1 Ų132.180%0.80476%0.757SS**  trans83.8100.7154.8-47.80000119.1
963E28.2Very low30.4Very low185 Ų185132 Ų13286%0.86475%0.75SS**  trans-50.3164.1161.2-91.7177.1163.100115
964P32.4Very low30.1Very low113 Ų113133.2 Ų133.273%0.73476%0.756SS**  cis-150.3160.545.542.3-21.9000121.3
965S30.3Very low29.9Very low115 Ų115135.1 Ų135.180%0.80475%0.751SS**  trans62.5130.1144-63.70000122.4
966A29.5Very low29.6Very low94 Ų94137.3 Ų137.378%0.77775%0.748SS**  trans83.9139.7155.700000119.9
967L27.5Very low29.3Very low141 Ų141134.8 Ų134.874%0.73874%0.744SS**SBendtrans70.2152.7175.9-51-177.4000116.5
968A34.9Very low29Very low50 Ų50133.4 Ų133.441%0.41374%0.739SS.*SBendtrans42.958.1-158.800000116.4E906 R910E906-A968 WeakPolarHBondContact OE1-CB 3.29Å; E906-A968 PolarHBondContact OE1-N 3.14Å; R910-A968 VanDerWaalsContact CZ-CB 3.46Å
969S35.4Very low28.8Very low104 Ų104132 Ų13273%0.72774%0.737SS**  trans-149.980.5161-79.30000112.3
970L24.6Very low28.6Very low190 Ų190129.3 Ų129.3100%0.99574%0.735SS**  trans-126.141.3151.9-95.1175.2000110.9
971S29.1Very low28.4Very low92 Ų92127.4 Ų127.464%0.64374%0.735SS**SBendtrans-124.4149.2158.469.30000108.4
972N28.3Very low28.3Very low142 Ų142127 Ų12776%0.75973%0.728SS**SBendtrans69.4143.9-180-71.5-33.6000118.8
973F28.9Very low28.1Very low157 Ų157129.2 Ų129.269%0.68973%0.726SS**  trans64.595.8154.8-74.2-147000117.9Y975F973-Y975 AromaticContact CD1-CD2 3.59Å; F973-Y975 HydrophobicContact CD1-CD2 3.59Å; F973-Y975 HydrophobicContact CD1-CE2 4.32Å; F973-Y975 HydrophobicContact CD1-CG 4.37Å; F973-Y975 AromaticContact CD2-CD2 3.87Å; F973-Y975 HydrophobicContact CD2-CD2 3.87Å; F973-Y975 HydrophobicContact CD2-CE2 4.28Å; F973-Y975 AromaticContact CE1-CD2 3.46Å; F973-Y975 HydrophobicContact CE1-CD2 3.46Å; F973-Y975 VanDerWaalsContact CE1-CD2 3.46Å; F973-Y975 AromaticContact CE1-CE2 3.75Å; F973-Y975 HydrophobicContact CE1-CE2 3.75Å; F973-Y975 HydrophobicContact CE1-CG 4.41Å; F973-Y975 AromaticContact CE2-CD2 3.77Å; F973-Y975 HydrophobicContact CE2-CD2 3.77Å; F973-Y975 AromaticContact CE2-CE2 3.73Å; F973-Y975 HydrophobicContact CE2-CE2 3.73Å; F973-Y975 AromaticContact CG-CD2 3.81Å; F973-Y975 HydrophobicContact CG-CD2 3.81Å; F973-Y975 AromaticContact CZ-CD2 3.57Å; F973-Y975 HydrophobicContact CZ-CD2 3.57Å; F973-Y975 AromaticContact CZ-CE2 3.43Å; F973-Y975 HydrophobicContact CZ-CE2 3.43Å; F973-Y975 VanDerWaalsContact CZ-CE2 3.43Å
974N24.5Very low28Very low169 Ų169128.1 Ų128.190%0.90472%0.723SS**  -111.479.1126.9-154-22.2000109.1R976N974-R976 PolarHBondContact O-N 2.99Å
975Y26.4Very low27.8Very low159 Ų159129.3 Ų129.362%0.62472%0.723SS**  trans-70.6107.5174.4-122.6-84.2000108.4F973 T977F973-Y975 AromaticContact CD1-CD2 3.59Å; F973-Y975 HydrophobicContact CD1-CD2 3.59Å; F973-Y975 HydrophobicContact CD1-CE2 4.32Å; F973-Y975 HydrophobicContact CD1-CG 4.37Å; F973-Y975 AromaticContact CD2-CD2 3.87Å; F973-Y975 HydrophobicContact CD2-CD2 3.87Å; F973-Y975 HydrophobicContact CD2-CE2 4.28Å; F973-Y975 AromaticContact CE1-CD2 3.46Å; F973-Y975 HydrophobicContact CE1-CD2 3.46Å; F973-Y975 VanDerWaalsContact CE1-CD2 3.46Å; F973-Y975 AromaticContact CE1-CE2 3.75Å; F973-Y975 HydrophobicContact CE1-CE2 3.75Å; F973-Y975 HydrophobicContact CE1-CG 4.41Å; F973-Y975 AromaticContact CE2-CD2 3.77Å; F973-Y975 HydrophobicContact CE2-CD2 3.77Å; F973-Y975 AromaticContact CE2-CE2 3.73Å; F973-Y975 HydrophobicContact CE2-CE2 3.73Å; F973-Y975 AromaticContact CG-CD2 3.81Å; F973-Y975 HydrophobicContact CG-CD2 3.81Å; F973-Y975 AromaticContact CZ-CD2 3.57Å; F973-Y975 HydrophobicContact CZ-CD2 3.57Å; F973-Y975 AromaticContact CZ-CE2 3.43Å; F973-Y975 HydrophobicContact CZ-CE2 3.43Å; F973-Y975 VanDerWaalsContact CZ-CE2 3.43Å; Y975-T977 WeakPolarHBondContact CD1-OG1 3.35Å; Y975-T977 PolarHBondContact O-N 3.46Å
976R21.8Very low27.8Very low217 Ų217128.9 Ų128.982%0.81972%0.716SS**  trans-7779.8158.2-168.1179-175.9171.16.6108.6N974 T978N974-R976 PolarHBondContact O-N 2.99Å; R976-T978 PolarHBondContact O-N 2.84Å
977T25.7Very low27.8Very low101 Ų101130.9 Ų130.962%0.6271%0.714SS**  trans-71.870.9170.9-490000110.9Y975Y975-T977 WeakPolarHBondContact CD1-OG1 3.35Å; Y975-T977 PolarHBondContact O-N 3.46Å
978T23.6Very low27.7Very low95 Ų95132.5 Ų132.558%0.58372%0.721SS**  trans-132.9105145.451.10000106.4R976R976-T978 PolarHBondContact O-N 2.84Å
979T26.4Very low27.4Very low120 Ų120139.5 Ų139.574%0.73674%0.738SS**SBendcis-163.6154.53.531.90000108.5
980A26.8Very low27.2Very low82 Ų82141.9 Ų141.968%0.67874%0.738SS**  trans68.1147.2176.300000114.4
981T26.8Very low27.3Very low126 Ų126140 Ų14077%0.77373%0.729SS**  55.2125.165.2-13.40000110.5
982T29.8Very low27.5Very low100 Ų100141.2 Ų141.261%0.61374%0.735SS**  cis-166156.940.1-41.40000110.9
983Q28.7Very low27.4Very low161 Ų161140.1 Ų140.175%0.75274%0.738SS**  trans58.9122156.2-83.3147.62.300118.4
984M26.4Very low27.4Very low163 Ų163138.7 Ų138.780%0.80374%0.742SS**  98.6153.450.3-83.9175.2168.100112.8
985N29.3Very low27.4Very low137 Ų137135.9 Ų135.973%0.73374%0.735SS**  trans70.7105.9175.4-570000114.3
986T28.6Very low27.3Very low107 Ų107138.4 Ų138.466%0.65675%0.745SS**  89.8156.750.567.20000114
987D29.2Very low27.6Very low136 Ų136134.8 Ų134.873%0.72775%0.747SS**  trans72.263.2161.8-47.2-51.4000117.7
988I26.5Very low27.6Very low175 Ų175138.9 Ų138.990%0.89776%0.76SS**  trans-97.3111.9156.6-61.3178.8000108.9
989Y28.7Very low27.7Very low196 Ų196142.9 Ų142.977%0.76977%0.769SS**  trans-134.2153.1177.3-110.2-67.9000110.2
990Q30.6Very low27.7Very low154 Ų154146 Ų14672%0.7277%0.772SS**  trans66.8101154.7-64.3166.313.700119.7
991N27.4Very low27.6Very low151 Ų151147.6 Ų147.681%0.80778%0.776SS**  trans69.5165.8135-56.9-37.6000119.6
992P32.6Very low27.7Very low118 Ų118148 Ų14877%0.76678%0.779SS**  cis-115166.8-17.136.8-23.9000113.3
993S25.9Very low27.5Very low119 Ų119148.3 Ų148.383%0.83278%0.78SS**  trans-79.3117.9178.353.50000113.8
994V28.8Very low27.3Very low126 Ų126150.7 Ų150.776%0.76478%0.784SS**  trans-133.3126.2154.2-179.20000107.6Y996V994-Y996 PolarHBondContact O-N 3.28Å
995S25.5Very low27.2Very low110 Ų110149.2 Ų149.277%0.76978%0.784SS**  trans-90.7106.8-162.4540000114
996Y23.6Very low26.9Very low212 Ų212150.6 Ų150.683%0.83179%0.791SS**  trans-125.989.3166.8-89.8-86.5000110.9V994 Q998V994-Y996 PolarHBondContact O-N 3.28Å; Y996-Q998 PolarHBondContact O-N 2.93Å
997T29.4Very low26.8Very low141 Ų141151.3 Ų151.387%0.86580%0.795SS**  trans-83.269.3177.749.70000112.2K999T997-K999 PolarHBondContact O-N 3.01Å
998Q24Very low26.6Very low187 Ų187150.6 Ų150.687%0.87480%0.798SS**  trans-32.2110.3157.8177-174.411.800114Y996Y996-Q998 PolarHBondContact O-N 2.93Å
999K27.3Very low26.6Very low180 Ų180150 Ų15078%0.78379%0.791SS**  trans-144.3117162.6-79.6-164.1177.2-178.60112T997T997-K999 PolarHBondContact O-N 3.01Å
1000F26.8Very low26.4Very low184 Ų184144.9 Ų144.981%0.80778%0.782SS**  trans47.7108.5158.6-60.7-76.4000120.9
1001P24Very low26.1Very low117 Ų117142.4 Ų142.476%0.7678%0.781SS**  trans-97.5114.1168.135-28.2000113.2T1003P1001-T1003 PolarHBondContact O-OG1 3.34Å
1002T28.8Very low26.1Very low135 Ų135146.5 Ų146.583%0.82879%0.787SS**  trans-123.787.2170-49.60000107.5
1003T25.9Very low25.7Very low105 Ų105148.6 Ų148.664%0.64479%0.791SS**  63.2104.772.2-53.90000112.2P1001P1001-T1003 PolarHBondContact O-OG1 3.34Å
1004Y23.9Very low25.8Very low212 Ų212146.1 Ų146.183%0.83178%0.784SS**  trans-5.8129.4163.8-56.6-96.6000118.6
1005T24.1Very low25.6Very low131 Ų131150.4 Ų150.480%0.80479%0.788SS**  -152.8137.9110.8-13.40000111.8
1006L24.3Very low25.7Very low167 Ų167150.5 Ų150.587%0.87478%0.78SS**  trans-84.4120.9161.5-78.3137000108.2
1007T25.1Very low25.9Very low121 Ų121145 Ų14574%0.74277%0.769SS**  trans-149.2125.9156.3280000108
1008P25.6Very low25.9Very low121 Ų121148.7 Ų148.779%0.78677%0.767SS**  trans-76.5150.1-176.732.1-35000111.2
1009H25.3Very low26.1Very low163 Ų163148 Ų14876%0.75577%0.768SS**  trans-118.6144.2160.3-114.2-104.3000109.7
1010P25Very low26.1Very low88 Ų88147.7 Ų147.757%0.57177%0.769SS**  trans-99.4160.7-148.737.5-37000115
1011S24.3Very low26Very low102 Ų102143.3 Ų143.371%0.71377%0.767SS**  trans13.9112.9143.7-49.90000118.1
1012Y27.3Very low26.1Very low238 Ų238143.3 Ų143.393%0.93377%0.77SS**  trans-113.694.8140.1-116.2-89.4000109.4G1014Y1012-G1014 PolarHBondContact O-N 3.36Å
1013L25.5Very low26.2Very low162 Ų162144.7 Ų144.785%0.84877%0.771SS**  trans-65124.4166.3-82.8159000108.5
1014G26.4Very low26.4Very low67 Ų67147.7 Ų147.769%0.69178%0.779SS**  trans-146.7108.4-177.300000111.1Y1012Y1012-G1014 PolarHBondContact O-N 3.36Å
1015Y25.4Very low26.7Very low216 Ų216143.7 Ų143.785%0.84777%0.772SS**  trans-28148.8167.1-52.5-83.6000114.7
1016D27.9Very low27Very low112 Ų112141 Ų14160%0.59976%0.757SS**  -151165.760.9-158.23.3000116.2
1017T27.8Very low27.2Very low97 Ų97137.2 Ų137.260%0.59574%0.736SS**  trans-62.9167.9177.663.20000113.5
1018R28.4Very low27.4Very low218 Ų218135.3 Ų135.382%0.82373%0.733SS**  cis-144.9140.725.8-59.2170.3178.9178.9-1.3112
1019L28.9Very low27.6Very low171 Ų171135.8 Ų135.890%0.89573%0.727SS**  trans-100.1152.5158.7-101.5170.2000110A1021L1019-A1021 PolarHBondContact O-N 3.08Å
1020H27.4Very low27.7Very low174 Ų174139.6 Ų139.681%0.80674%0.735SS**  trans-58.6127.9170.9-91.9-81.2000110.5
1021A25.6Very low27.9Very low93 Ų93144 Ų14477%0.76975%0.748SS**  trans-122115.717500000111.2L1019L1019-A1021 PolarHBondContact O-N 3.08Å
1022S25.7Very low28.1Very low117 Ų117145.8 Ų145.882%0.81876%0.755SS**  trans-157150.2158.3-81.50000108.1
1023I30.4Very low28.2Very low164 Ų164138.3 Ų138.384%0.84175%0.749SS**SBendtrans77.482.1-178.3-45.3173.4000115.2
1024M29.6Very low28.3Very low168 Ų168139.3 Ų139.383%0.82875%0.75SS**  trans27.4109.8131-62.7177.2164.700120.2
1025N29.5Very low28.3Very low128 Ų128141.1 Ų141.168%0.68475%0.752SS**  175.6136.898.4-96.6-40.3000111.5
1026P31.4Very low28.6Very low73 Ų73140.3 Ų140.347%0.47475%0.753SS.*  trans-112.5158.3-167.443.5-37000116.1R69R69-P1026 WeakPolarHBondContact CD-O 3.31Å
1027M27.9Very low28.6Very low88 Ų88142.6 Ų142.643%0.43376%0.764SS.*  trans61.7137.8158.1-2.6-177.3-136.200120.6E66 R69 H73E66-M1027 HydrophobicContact CG-CE 4.4Å; R69-M1027 HydrophobicContact CB-CE 4.34Å; R69-M1027 VanDerWaalsContact CD-CB 3.45Å; R69-M1027 VanDerWaalsContact CD-CG 3.46Å; R69-M1027 HydrophobicContact CG-CE 4.26Å; R69-M1027 HydrophobicContact CG-CG 4.48Å; R69-M1027 PolarHBondContact NH1-SD 2.85Å; H73-M1027 PolarHBondContact ND1-O 2.56Å
1028A30.7Very low28.7Very low82 Ų82148.7 Ų148.768%0.67878%0.778SS**  trans-151.7121.814300000108.4
1029I28.1Very low28.6Very low130 Ų130142.6 Ų142.667%0.66777%0.769SS**  trans-82.9133.1173.9-63.1166.9000108.5
1030R28.8Very low28.7Very low244 Ų244144.1 Ų144.192%0.92177%0.771SS**  trans-159.7146.6160.3-113.6161.8-143.4-84.9-3.4113.4
1031Q29.7Very low28.7Very low181 Ų181138.3 Ų138.385%0.84676%0.758SS**  trans-76.7157.5-179.1-67.6158.8-6600113
1032T27.7Very low28.9Very low139 Ų139140.6 Ų140.685%0.85376%0.763SS**  trans-4.1132.6156.250.20000119.3
1033G29.3Very low29.1Very low80 Ų80141.7 Ų141.783%0.82576%0.758SS**  trans-153.9117.5165.900000111.8
1034Q27.8Very low29Very low183 Ų183141.2 Ų141.286%0.85576%0.756SS**  trans-89.4159.6-176.5-63.8175.2-28.300113.4
1035S27.3Very low29Very low106 Ų106138.8 Ų138.874%0.74175%0.752SS**  trans78.1146159.6-36.10000116.2
1036K30.5Very low28.8Very low198 Ų198139.7 Ų139.786%0.86176%0.757SS**  cis-148.9163.730.9-77.3-178.6175.9178.50114.6
1037L27.6Very low29.1Very low160 Ų160140.2 Ų140.284%0.83876%0.761SS**  trans-73.7147.7170.8-66.7153000114.3
1038Y30.4Very low29.1Very low225 Ų225145.7 Ų145.788%0.88278%0.776SS**  trans-161.7108.4145.1-94.8-81000106.6
1039S26.8Very low29.1Very low90 Ų90150.9 Ų150.963%0.62978%0.78SS**  cis96.38239.380.90000115.1
1040Q30.6Very low29.4Very low203 Ų203149.8 Ų149.895%0.94978%0.779SS**  trans-160136.6164.3-148.5100.421.200109.4
1041G28Very low29.5Very low52 Ų52143 Ų14354%0.53677%0.769SS.*  cis163.437-9.400000118
1042V30Very low29.6Very low141 Ų141140 Ų14086%0.85576%0.759SS**  trans-147.2112.8175.2-171.40000107.8
1043I28.2Very low29.9Very low140 Ų140141.1 Ų141.172%0.71875%0.754SS**  cis87.7138.532.9-43.2167.5000113.9
1044I29.5Very low29.9Very low155 Ų155143.6 Ų143.680%0.79575%0.748SS**  trans77.7149.3170.327.3-174.3000119.2
1045P28.6Very low30Very low117 Ų117139.9 Ų139.976%0.7674%0.738SS**  -138.9179.9-96.145.6-28.5000119.3
1046N26.5Very low30Very low146 Ų146140.8 Ų140.878%0.78173%0.733SS**  trans-49.3174.3155.8-142.717.9000113
1047P36.7Very low29.9Very low85 Ų85140 Ų14055%0.55273%0.73SS**  cis-159.7-171.228.448.4-25.6000121.4
1048R28.1Very low30Very low203 Ų203136.7 Ų136.777%0.76672%0.72SS**  trans78.4148.7158.4-63.8164-167.5175.73.1116.5
1049Y31.9Very low30Very low190 Ų190132.6 Ų132.675%0.74572%0.719SS**  cis-140.5137.529.6-103-92000114.4
1050T32.6Very low30.2Very low107 Ų107131.6 Ų131.666%0.65672%0.723SS**  trans40.4147.9134.659.60000121.8
1051S31.6Very low30.2Very low101 Ų101128.4 Ų128.471%0.70672%0.718SS**  cis180169.27.537.70000109.9
1052D32.4Very low30.5Very low120 Ų120131.9 Ų131.964%0.64273%0.729SS**  cis-176.4171.4-29.7-92.7-57.8000107.5
1053H33.1Very low30.5Very low161 Ų161134.5 Ų134.575%0.74573%0.732SS**  trans71.4155.4163.1-57.1-35.6000118.6
1054N30.5Very low30.7Very low132 Ų132135.3 Ų135.371%0.70674%0.737SS**  cis-171.5161.5-16.8-95.1-6.5000107
1055V30Very low30.9Very low106 Ų106132.9 Ų132.964%0.64273%0.731SS**  cis-161.2139.8-14.4128.30000110.1
1056I27Very low31Very low124 Ų124132.4 Ų132.464%0.63673%0.726SS**  trans15.1147.9147.4-28.3170.1000122.2
1057F29Very low31.1Very low182 Ų182132.4 Ų132.480%0.79873%0.725SS**  trans91.4146.8157.5-60.2-66.6000118.5
1058S28.4Very low30.7Very low90 Ų90132.2 Ų132.263%0.62973%0.726SS**  cis-174.2153.9-31.1-142.40000111.2
1059T30.1Very low30.7Very low139 Ų139128.9 Ų128.985%0.85372%0.723SS**  trans58.7148.5168.6550000115.8
1060G31.5Very low30.5Very low70 Ų70127.5 Ų127.572%0.72272%0.722SS**  cis128152.130.600000107
1061T31.4Very low30.4Very low136 Ų136130.2 Ų130.283%0.83473%0.726SS**  cis-151.4164.1546.30000111.7
1062T33.5Very low30.2Very low124 Ų124128.3 Ų128.376%0.76172%0.723SS**  trans-48.6157.6172.243.20000117.6
1063Q29.8Very low30Very low197 Ų197129.7 Ų129.792%0.92174%0.736SS**  -159.4131124-114.1160.66800115.8
1064L32.4Very low29.7Very low157 Ų157127.2 Ų127.282%0.82273%0.728SS**  trans-75.6-171157.4-90.2159.2000108.6
1065P34.3Very low29.6Very low103 Ų103130.3 Ų130.367%0.66973%0.731SS**  cis-161.1-167.332.933.7-4.1000120.4
1066T29.7Very low29.5Very low107 Ų107129.1 Ų129.166%0.65673%0.727SS**  102.9144.6127.815.70000124.5
1067L29.8Very low29.5Very low146 Ų146130.1 Ų130.176%0.76473%0.731SS**  trans70.5124.6159.5-57.1159.9000115.9
1068S26.9Very low29.6Very low82 Ų82130.8 Ų130.857%0.57373%0.728SS**  cis90.714526.384.20000116
1069N29Very low29.5Very low132 Ų132136.3 Ų136.371%0.70674%0.735SS**  trans91.2148.7175.5-50.7-26.3000114.9
1070F28.4Very low29.6Very low162 Ų162133 Ų13371%0.71172%0.722SS**  cis-151.9-153.7-8.7-131.7-136.2000109.5
1071H29.6Very low29.4Very low163 Ų163135.4 Ų135.476%0.75571%0.714SS**  trans-32.4152.5173-50.7-19.1000116.3
1072G28.3Very low29.4Very low62 Ų62132.9 Ų132.964%0.63970%0.696SS**  cis110.2160.725.100000110.5
1073V28.7Very low29.4Very low149 Ų149129.7 Ų129.790%0.90367%0.674SS**  trans58.4153.3-178-800000116
1074D25.8Very low29.9Very low109 Ų109122.5 Ų122.558%0.58364%0.644SS**  cis-168179.8-20.7-167.8-4.2000106.8
1075Y28.6Very low29.9Very low197 Ų197119.2 Ų119.277%0.77363%0.634SS**  trans69.7151.7164.3-57.4-59.2000118.6
1076S28.4Very low29.9Very low80 Ų80122.8 Ų122.856%0.55964%0.639SS**  cis-176.4154.4-33.2-1330000110.7
1077M27Very low30.1Very low145 Ų145123 Ų12371%0.71464%0.641SS**  trans66.2154.6151.7-66178.7-153.500117.8
1078R31Very low30.2Very low197 Ų197121 Ų12174%0.74364%0.635SS**  cis-156.5133-0.4-112.2160.6-149.5-142.77.4107.1
1079R26.3Very low30.3Very low206 Ų206127.2 Ų127.278%0.77765%0.647SS**  80.5115.585.3-173.8-168.7-76.7-147.4-2.9115.8
1080A30.5Very low30.4Very low70 Ų70126.8 Ų126.858%0.57965%0.645SS**  trans-119-174.3163.100000111.5S15S15-A1080 WeakPolarHBondContact OG-CB 3.38Å
1081Q29.2Very low30.5Very low119 Ų119125.1 Ų125.156%0.55664%0.644SS**  trans-174.3162.6-167.2-110.2173.1-117.200110.6
1082N30.5Very low30.4Very low84 Ų84120.7 Ų120.745%0.44964%0.635SS.*  cis-149.4113.2-9.724.1-120.9000113.2G17 D18G17-N1082 WeakPolarHBondContact CA-O 3.4Å; D18-N1082 VanDerWaalsContact CG-O 3.28Å
1083D33.2Very low30.3Very low56 Ų56124.1 Ų124.130%0.29964%0.643SS.*  trans103179.3140.9-108.240.9000119.3Q16 G17Q16-D1083 VanDerWaalsContact CD-OD1 3.23Å; Q16-D1083 HydrophobicContact CG-CB 4.17Å; Q16-D1083 VanDerWaalsContact CG-OD1 3.24Å; Q16-D1083 WeakPolarHBondContact CG-OD1 3.47Å; Q16-D1083 PolarHBondContact NE2-OD1 3.35Å; G17-D1083 CarbonylContact C-O 3.6Å; G17-D1083 VanDerWaalsContact C-O 3.24Å; G17-D1083 WeakPolarHBondContact CA-O 3.33Å; G17-D1083 PolarHBondContact N-O 3.14Å
1084P40.4Very low30.4Very low46 Ų46123 Ų12330%0.29964%0.637SS.*  trans-141-168.7-162.747.3-28.6000116.5D18 R19D18-P1084 CarbonylContact C-O 3.52Å; D18-P1084 VanDerWaalsContact C-O 3.26Å; R19-P1084 WeakPolarHBondContact CA-O 3.47Å; R19-P1084 PolarHBondContact N-O 2.98Å
1085S33Very low30.5Very low88 Ų88122.8 Ų122.862%0.61564%0.639SS**  trans-162.9138.1138.158.80000111.8
1086K34.4Very low30.5Very low178 Ų178124 Ų12477%0.77464%0.643SS**  cis66.715149.4-77.8-168165.2-170.30113.4
1087T32.6Very low30.4Very low112 Ų112126.2 Ų126.269%0.68765%0.653SS**  cis-166.4164911.50000108
1088T31.9Very low30.6Very low103 Ų103127 Ų12763%0.63266%0.658SS**  cis179.9128.1-22.1-95.60000110.5
1089Y29.4Very low30.4Very low213 Ų213123.2 Ų123.284%0.83566%0.662SS**  trans61-176.4159-70.7-139.8000115.3
1090D31Very low30.6Very low123 Ų123116.6 Ų116.666%0.65866%0.658SS**  cis-151.4-168.95.3-150.311.3000109.2
1091N31.2Very low30.5Very low128 Ų128119.7 Ų119.768%0.68467%0.67SS**  cis-158.2123.35.3-172.4-114.8000105.4
1092A27.4Very low30.5Very low69 Ų69121.7 Ų121.757%0.5768%0.679SS**  65.6117.170.900000116.4
1093V26.8Very low30.5Very low134 Ų134123.7 Ų123.781%0.81269%0.69SS**  trans28.7128.1150.1-174.30000120.9
1094T30.2Very low30.5Very low126 Ų126127.9 Ų127.977%0.77371%0.712SS**  trans-165.2112.7136.9-82.60000114.8
1095T28.4Very low30.1Very low104 Ų104132.5 Ų132.564%0.63873%0.733SS**  trans31142.5148.173.20000126.1
1096R28.6Very low30.1Very low224 Ų224131.5 Ų131.585%0.84574%0.737SS**  trans66.8112.3133.5-74.7171.2-177.21771.9121.2
1097T25.8Very low29.9Very low126 Ų126131.1 Ų131.177%0.77374%0.743SS**  35.2110.7114.8-36.30000119.4
1098I30.3Very low29.8Very low161 Ų161132 Ų13283%0.82675%0.749SS**  -170.8151.9119.5-97.1156.3000110.6
1099S27.3Very low29.7Very low118 Ų118136.6 Ų136.683%0.82576%0.763SS**  trans-54.3148.9-178.7-40.40000115.7
1100G30.3Very low29.5Very low66 Ų66131.5 Ų131.568%0.6876%0.758SS**  trans162.181.2162.400000117.5
1101T29.6Very low29.5Very low135 Ų135132.6 Ų132.683%0.82877%0.769SS**  trans21.8121.6138.752.60000120.8
1102Q28.9Very low29.2Very low162 Ų162131 Ų13176%0.75776%0.76SS**  108.7122.4120.1-164168.7-3.600120.7
1103D30.9Very low29.2Very low125 Ų125132.7 Ų132.767%0.66877%0.768SS**  trans58.5122.9152.5-54.2-12.1000124.3
1104D31.2Very low29.3Very low145 Ų145131.9 Ų131.978%0.77577%0.768SS**  trans38.3115.1137.2-64.8-8.4000121.8
1105L32.6Very low29.5Very low142 Ų142134.1 Ų134.174%0.74377%0.77SS**  -177.713796.3-95170.6000110.8
1106G33Very low29.5Very low67 Ų67138 Ų13869%0.69177%0.773SS**  trans-108.5157.5171.500000112.3
1107N31.6Very low29.6Very low170 Ų170134.9 Ų134.991%0.90977%0.768SS**  trans-154.9156146.7-128.3-1.5000111.9
1108T29.7Very low30Very low130 Ų130136.1 Ų136.180%0.79877%0.77SS**  trans-97146.9-169.753.50000113.2
1109E29.5Very low30.1Very low201 Ų201135.6 Ų135.694%0.93976%0.764SS**  trans-144.5163.7138-151.1157.9-136.200110.6
1110C25.2Very low30.2Very low106 Ų106139.2 Ų139.272%0.71676%0.759SS**  trans-127.2141.4-162.8176.60000111.7
1111T30Very low30.3Very low145 Ų145146 Ų14689%0.8977%0.77SS**  trans-148.699.3157.5-1.40000111.9S1113T1111-S1113 PolarHBondContact O-N 2.87Å
1112D26.8Very low30.5Very low94 Ų94150.7 Ų150.750%0.50377%0.773SS.*  trans-38.2119.2161.3166.431.7000113.7
1113S26.4Very low30.7Very low105 Ų105147.8 Ų147.873%0.73477%0.77SS**  trans-166.877.8156.6-840000113T1111T1111-S1113 PolarHBondContact O-N 2.87Å
1114S29.1Very low30.8Very low117 Ų117147.9 Ų147.982%0.81877%0.769SS**SBendtrans-159.7-12.6157.1-83.50000114.6R1116S1114-R1116 PolarHBondContact O-N 3.13Å; S1114-R1116 VanDerWaalsContact O-N 3.09Å
1115Q34.4Very low30.9Very low174 Ų174149.9 Ų149.981%0.81377%0.771SS**THydrogen-bonded Turntrans-80.631.5175.8-74-169.1-109.900114.4
1116R29Very low31Very low186 Ų186146.7 Ų146.770%0.70277%0.773SS**THydrogen-bonded Turntrans-119.5-0.9-171.9-77.5-168.5178-152.7-1.1117.9S1114S1114-R1116 PolarHBondContact O-N 3.13Å; S1114-R1116 VanDerWaalsContact O-N 3.09Å
1117E30.4Very low31Very low158 Ų158149.3 Ų149.374%0.73878%0.776SS**SBendtrans-80.7-44.7178.5-15158.8-131.600112.5E1119E1117-E1119 PolarHBondContact O-N 3.4Å
1118N32.9Very low31Very low151 Ų151147.5 Ų147.581%0.80777%0.765SS**THydrogen-bonded Turntrans-80.3-5.3-167.2-78.4-35.1000116.1
1119E32.5Very low31.2Very low150 Ų150144.4 Ų144.470%0.70176%0.759SS**THydrogen-bonded Turntrans-98.9-12.6180-69.5-173.4134.700114.1E1117 K1121 R1122E1117-E1119 PolarHBondContact O-N 3.4Å; E1119-K1121 VanDerWaalsContact C-N 3.33Å; E1119-K1121 PolarHBondContact O-N 2.83Å; E1119-R1122 PolarHBondContact O-N 3.34Å
1120R29.6Very low31.3Very low195 Ų195146.5 Ų146.574%0.73676%0.759SS**G310 helixtrans-69.9-26.5174.9-73.5-169.7171.9-140-2.1113.6R1122R1120-R1122 PolarHBondContact O-N 3.17Å
1121K33.1Very low31.5Very low207 Ų207148.7 Ų148.790%0.976%0.76SS**G310 helixtrans-79.76.7175-68.8-173.2177.9-179.80114.6E1119E1119-K1121 VanDerWaalsContact C-N 3.33Å; E1119-K1121 PolarHBondContact O-N 2.83Å
1122R34.4Very low31.7Very low235 Ų235151.9 Ų151.989%0.88776%0.762SS**G310 helixtrans-116.44171.4-79.8-177.3171.7-102.3-3.8115E1119 R1120E1119-R1122 PolarHBondContact O-N 3.34Å; R1120-R1122 PolarHBondContact O-N 3.17Å
1123S32.9Very low32Very low100 Ų100157 Ų15770%0.69978%0.78SS**SBendtrans-132.843-173.6-153.80000114.8
1124I33.2Very low32.3Very low127 Ų127163.5 Ų163.565%0.65179%0.788SS**SBendtrans-121.3-22.6173.3-63.4-177.8000112.8G1126I1124-G1126 PolarHBondContact O-N 2.69Å
1125F33.2Very low32.4Very low187 Ų187163.9 Ų163.982%0.8279%0.788SS**THydrogen-bonded Turntrans-83.416174.8-104.7-85.4000115.4
1126G33.2Very low32.1Very low76 Ų76163 Ų16378%0.78479%0.789SS**THydrogen-bonded Turntrans-77.3-17.3173.400000115I1124I1124-G1126 PolarHBondContact O-N 2.69Å
1127T34.8Very low32.2Very low122 Ų122159.4 Ų159.475%0.74879%0.79SS**SBendtrans-114.8-24.4-160-46.90000114.8
1128L31.4Very low32.3Very low131 Ų131158.1 Ų158.169%0.68679%0.792SS**SBendtrans-101.30.8-171.6-77.9164.6000115.8R1130L1128-R1130 VanDerWaalsContact C-N 3.3Å; L1128-R1130 PolarHBondContact O-N 3.34Å
1129G33.1Very low32.2Very low65 Ų65157.7 Ų157.767%0.6779%0.79SS**THydrogen-bonded Turntrans-81.418.9-178.500000116.9
1130R32.6Very low32Very low246 Ų246156.3 Ų156.393%0.92879%0.792SS**THydrogen-bonded Turntrans-112-1.4-176.2-66.9-165.4-174.3-144.95.7115.5L1128L1128-R1130 VanDerWaalsContact C-N 3.3Å; L1128-R1130 PolarHBondContact O-N 3.34Å
1131M29.1Very low32.1Very low152 Ų152152.9 Ų152.975%0.74979%0.792SS**SBendtrans-109.6158.6175.1-68.3165.767.900109.8
1132F32.8Very low32Very low212 Ų212149.9 Ų149.993%0.9379%0.786SS**  trans74.853.2-168.8-55.9-67.3000117.4
1133K33.6Very low31.7Very low201 Ų201142.5 Ų142.587%0.87477%0.77SS**  trans-90.2102.4158.5-171.6-177.6-178.4-170.70109.2
1134R32.1Very low31.6Very low241 Ų241145.1 Ų145.191%0.90977%0.772SS**  trans-60.7133.4175.5-71.3-169.9-180-1480.5110.3
1135P32.5Very low31.5Very low125 Ų125145.5 Ų145.581%0.81278%0.775SS**  trans-79.5158.7175.733.3-34.9000111.8
1136N28.2Very low31.5Very low157 Ų157145.5 Ų145.584%0.8478%0.778SS**  trans-129.5139.4160.9-155.340.3000106.3
1137P31.1Very low31.3Very low110 Ų110148.1 Ų148.171%0.71478%0.778SS**  trans-88.5144.1-158.633.4-35.7000114.1
1138V32.9Very low31.2Very low131 Ų131151 Ų15179%0.79478%0.783SS**  trans-157.6131.3145.5166.30000108.4
1139N30.8Very low31.4Very low142 Ų142149.3 Ų149.376%0.75978%0.782SS**  trans20.7116.3153-59.77.3000119.1
1140V28.5Very low31.3Very low121 Ų121152.7 Ų152.773%0.73379%0.79SS**  89.9129.470.3161.40000113.1
1141T30.9Very low31.2Very low122 Ų122147.9 Ų147.975%0.74878%0.782SS**  trans62.4144.7-17960.70000116.6
1142N30.5Very low31.3Very low145 Ų145149.3 Ų149.378%0.77578%0.784SS**  cis-148.7178.1-4.8-121.62000112.6
1143S28.4Very low31.1Very low79 Ų79143.9 Ų143.955%0.55277%0.772SS**  trans-47.6168.7173.245.40000116.3
1144Q31.6Very low31Very low155 Ų155139.4 Ų139.472%0.72476%0.762SS**  cis-167.3139.944.8-133.9124.4-2200116
1145N30.5Very low30.9Very low136 Ų136131.7 Ų131.773%0.72775%0.749SS**  trans67.8160.8133.6-66.311.7000125.8
1146Q32.7Very low30.6Very low187 Ų187131.1 Ų131.187%0.87475%0.749SS**  trans77.5102.4-172-57.8-177.229.100114.1
1147V28.9Very low30.5Very low131 Ų131128.3 Ų128.379%0.79474%0.741SS**  cis77.4100.812.4-168.50000116.8
1148E33.8Very low30.3Very low181 Ų181130 Ų13085%0.84674%0.744SS**  trans-177.6103.6143.5-102.4173.3-172.100108
1149S35.3Very low30.2Very low96 Ų96133 Ų13367%0.67175%0.75SS**  74.395.894.470.10000115
1150T30.9Very low30Very low137 Ų137135.3 Ų135.384%0.8476%0.756SS**  81.911880.8-65.40000114.5
1151L30.9Very low30.6Very low145 Ų145135.1 Ų135.176%0.75976%0.757SS**  trans-176.7130.7143.4-101.9170.2000112.6
1152K31.7Very low30.7Very low181 Ų181134.7 Ų134.779%0.78776%0.757SS**  trans31128.2151.1-61.9174.8-172-178.70120.7
1153S28.4Very low30.6Very low98 Ų98135 Ų13569%0.68576%0.757SS**  cis88.1143.733.879.70000116.7
1154V29.6Very low30.9Very low107 Ų107142.8 Ų142.865%0.64878%0.775SS**  trans92.1136.1162.6-178.90000118.6
1155A30.1Very low30.7Very low79 Ų79143.8 Ų143.865%0.65378%0.777SS**  trans60136.1166.700000118.2
1156S26.7Very low30.9Very low114 Ų114145.4 Ų145.480%0.79778%0.78SS**  cis79.7140.929.7-560000116.4
1157S26.5Very low30.8Very low98 Ų98140.7 Ų140.769%0.68577%0.767SS**  trans70.3114167.969.40000120
1158N26.6Very low30.9Very low144 Ų144140.1 Ų140.177%0.7776%0.76SS**  74148.9124.4-59.2-13000123.1
1159Q31.6Very low30.6Very low195 Ų195138.7 Ų138.791%0.91175%0.753SS**  trans89.5155.2160.1-68.3164.52200119.4
1160Q26.7Very low30.3Very low191 Ų191140.8 Ų140.889%0.89376%0.756SS**  trans-111.7170.6-152.9-103.9177-28.100113.3
1161P39.4Very low30.4Very low116 Ų116139.4 Ų139.475%0.75375%0.748SS**  trans-87.9177.6-170.137.6-38.7000114.3
1162P34.8Very low30.2Very low114 Ų114141 Ų14174%0.7475%0.751SS**  trans-147.8143.9132.335.2-18.3000118.1
1163L27.9Very low30.3Very low151 Ų151137.3 Ų137.379%0.79175%0.746SS**  trans49.1129.4133.9-56.5171.1000123.1
1164R34.2Very low30.4Very low243 Ų243137.5 Ų137.592%0.91775%0.747SS**  -173.3154.4107.5-104177.5178-173.5-0.6115.6
1165F27.5Very low30.2Very low176 Ų176137.7 Ų137.777%0.77275%0.751SS**  trans-96.9169.2177.7-78.1-106.7000112.7
1166H34.7Very low30Very low169 Ų169142 Ų14278%0.78276%0.758SS**  164.8133.7113.4-90.3-63.3000117.1
1167S31.2Very low29.9Very low88 Ų88144.8 Ų144.862%0.61575%0.753SS**  trans69155.5133-58.80000121.1
1168N30.8Very low30Very low120 Ų120149.5 Ų149.564%0.64276%0.763SS**  cis-164.4138-12.6-109.7-18.1000112.6
1169Q26.1Very low29.9Very low150 Ų150148.2 Ų148.270%0.70176%0.761SS**  trans45.5155.9131.9-55.2176.448.700125.4
1170L29.2Very low29.6Very low141 Ų141148.3 Ų148.374%0.73875%0.754SS**  trans119.8111.2141.7-69.9130.2000120.7
1171T32.9Very low29.5Very low108 Ų108145.1 Ų145.166%0.66374%0.743SS**  trans65.7111.4138.155.10000124.4
1172H27.6Very low28.9Very low178 Ų178146.7 Ų146.782%0.82474%0.744SS**  32.4157.6108.6-67.1-64.5000122.2
1173P34.6Very low28.7Very low104 Ų104147.1 Ų147.168%0.67575%0.746SS**  cis-146.2-171.8-30.141.6-22.6000115.4
1174S29Very low28.7Very low101 Ų101148.7 Ų148.771%0.70675%0.75SS**  trans75.3115.4141.8-70.20000124.1
1175C25.3Very low28.3Very low111 Ų111142 Ų14275%0.7574%0.74SS**  88.5129.1119.1-67.60000124.2
1176Q26.2Very low28.4Very low171 Ų171140.2 Ų140.280%0.79974%0.744SS**  trans90.1129.6138.7-74.3-179.5-16.200123.1
1177Y24.8Very low28.1Very low172 Ų172137.2 Ų137.268%0.67574%0.742SS**  trans-4.6139.5161.7-52.4-91.4000120.9
1178Q28.9Very low28.2Very low196 Ų196139.3 Ų139.392%0.91675%0.751SS**  -166.5172.498.1-102.7173.116.400113.9
1179V24.6Very low28.3Very low117 Ų117141.6 Ų141.671%0.70976%0.757SS**  trans-109.1156.7-170.5-179.20000110.7
1180Y25.5Very low28.4Very low198 Ų198145.3 Ų145.378%0.77677%0.765SS**  trans114.1126.6158.2-72.1-75.7000119.1
1181N24.2Very low28.5Very low123 Ų123142.6 Ų142.666%0.65876%0.758SS**  trans66.9115.9138.5-65.5-12000122.6
1182I26.2Very low28.4Very low150 Ų150144.1 Ų144.177%0.76976%0.761SS**  51.8131.5110.3-61.9162.6000117.4
1183P30.7Very low28.5Very low122 Ų122141.8 Ų141.879%0.79275%0.751SS**  cis-141.5-166.533.731.2-5.9000117.2
1184Q28.6Very low28.4Very low185 Ų185145.7 Ų145.786%0.86475%0.752SS**  trans-69.4152174.3-53.4161.6-19.400115.2
1185S26.8Very low28.4Very low103 Ų103146.9 Ų146.972%0.7275%0.751SS**  trans176.8124.6140.3210000110.2
1186T28Very low28.6Very low137 Ų137151.2 Ų151.284%0.8475%0.751SS**  56.1144.481.265.30000115.5
1187S29.9Very low28.8Very low107 Ų107150.4 Ų150.475%0.74875%0.752SS**  cis-179.8153.3-8.3168.40000108.8
1188V33.2Very low29Very low131 Ų131146.4 Ų146.479%0.79475%0.754SS**  trans-145115.1162.2-177.10000112.5
1189H32.1Very low28.9Very low169 Ų169144.5 Ų144.578%0.78275%0.75SS**  trans26.7145.2151.6-72-87.1000122.5
1190R28.4Very low29.1Very low228 Ų228145.8 Ų145.886%0.8676%0.758SS**  cis-142.4132.734.6-85.6-170.3174.7-170.5-1.4115
1191S31.1Very low29.2Very low84 Ų84141.6 Ų141.659%0.58775%0.753SS**  trans37.8139.4136.862.40000122.3
1192D30.8Very low29.3Very low139 Ų139146.3 Ų146.374%0.74376%0.763SS**  cis-169.9153.8-5.9-105.6-37.4000112.1
1193E29.8Very low29.2Very low130 Ų130143.3 Ų143.361%0.60776%0.755SS**  trans59148.9148.5-67.2-165.1125.100121.1
1194R32.2Very low29.1Very low185 Ų185142.7 Ų142.770%0.69875%0.754SS**  cis-154.4137.54.4-109.8153.5-166.5166.113.1107.9
1195N30.1Very low28.9Very low126 Ų126141.7 Ų141.767%0.67475%0.749SS**  56.2137.899.9-80.7-33.5000116.7
1196R28.5Very low28.9Very low202 Ų202142.7 Ų142.776%0.76275%0.746SS**  cis-177.1169-2.4-135.7176.4-148.9-150.30.1112.8
1197L30.2Very low28.8Very low155 Ų155142.3 Ų142.381%0.81275%0.749SS**  trans71.9149.8154.9-63.9164.6000118.4
1198A30.2Very low28.6Very low88 Ų88140.7 Ų140.773%0.72775%0.75SS**  cis-160.5166.4-1200000113.1
1199N27Very low28.3Very low155 Ų155144 Ų14483%0.82975%0.754SS**  trans-79.2157175.4-53.2-28.2000113.6
1200V27.4Very low27.9Very low144 Ų144140.1 Ų140.187%0.87375%0.745SS**  trans-145.9152.4133.6171.40000108.9
1201V28Very low27.8Very low110 Ų110136.2 Ų136.267%0.66774%0.742SS**  trans-123.1150.8-179.8167.30000108.7
1202Y26.4Very low27.5Very low222 Ų222140.3 Ų140.387%0.87176%0.755SS**  trans-179.8165130.3-107.1-77.9000115
1203S23.9Very low27.3Very low87 Ų87139.6 Ų139.661%0.60876%0.756SS**  trans-80.7159.1-154-38.60000119.8
1204S28.6Very low27.1Very low109 Ų109142 Ų14276%0.76277%0.767SS**  82.5147.4126-75.10000124.5
1205Q25.2Very low26.7Very low164 Ų164141.7 Ų141.777%0.76677%0.771SS**  trans92.5118.7147.3-82.7-178.8-68.900122.8
1206D25.7Very low26.5Very low124 Ų124142.9 Ų142.966%0.66378%0.777SS**  trans74.3111.1132-59.4-18.9000123.6
1207S25.4Very low26.3Very low129 Ų129144.5 Ų144.590%0.90278%0.784SS**  trans84.5148.213179.80000119.9
1208G26.8Very low26Very low73 Ų73144.1 Ų144.175%0.75378%0.782SS**  trans141.6101.8163.900000116.6
1209F26Very low25.9Very low201 Ų201146 Ų14688%0.88278%0.783SS**  trans-51.1162.7160.8-63.5-103.6000113.1
1210S25Very low25.9Very low87 Ų87147.8 Ų147.861%0.60878%0.78SS**  cis-175.1159-17.5-93.80000108.5
1211N25Very low25.8Very low146 Ų146145.9 Ų145.978%0.78177%0.771SS**  trans44.8117155.2-61.5-13.5000120.2
1212I26Very low25.8Very low171 Ų171148.7 Ų148.788%0.87778%0.782SS**  -155.4142.9106.1-103.9159.5000109.6
1213T25.6Very low25.7Very low123 Ų123145 Ų14576%0.75578%0.777SS**  trans-95.9116.1-167.747.70000112.9
1214H25.1Very low25.9Very low180 Ų180150.6 Ų150.683%0.83379%0.791SS**  trans-174.7175.6140.8-109.5-80000109.5
1215F23.8Very low25.8Very low180 Ų180149.3 Ų149.379%0.78978%0.782SS**  trans76.1115.5179.8-71.3-90.1000118.5
1216N25.9Very low25.8Very low151 Ų151150.2 Ų150.281%0.80779%0.786SS**  16.7113.2125.9-56.7-11.7000116.2
1217R25.2Very low25.8Very low236 Ų236154.6 Ų154.689%0.89180%0.795SS**  trans-119.2109.8159.9-169.9159.2-68.4-117.1-0.4110.9
1218L24.6Very low25.8Very low147 Ų147155.4 Ų155.477%0.7778%0.784SS**PPolyproline II helixtrans-56.2135.8168.7-66.7141.3000110
1219V27.9Very low25.9Very low126 Ų126158 Ų15876%0.76479%0.785SS**PPolyproline II helixtrans-80.9125.4158.6179.40000106.9
1220Y26.1Very low25.9Very low193 Ų193156.3 Ų156.376%0.75778%0.78SS**PPolyproline II helixtrans-73.8144.7-175.5-81-105.9000111.7N1222Y1220-N1222 PolarHBondContact O-N 3.25Å
1221P25.3Very low26Very low104 Ų104161.5 Ų161.568%0.67579%0.794SS**PPolyproline II helixtrans-77.5119.6172.831.1-32.4000110.9N1223P1221-N1223 PolarHBondContact O-N 3Å; P1221-N1223 VanDerWaalsContact O-N 3.12Å
1222N28.6Very low26.2Very low169 Ų169158 Ų15890%0.90479%0.793SS**  trans-7695.2166.6-87.7-15.3000110Y1220Y1220-N1222 PolarHBondContact O-N 3.25Å
1223N24.3Very low26.3Very low144 Ų144157 Ų15777%0.7780%0.795SS**  trans-72.8121.3162.3-78.1-22000109.5P1221P1221-N1223 PolarHBondContact O-N 3Å; P1221-N1223 VanDerWaalsContact O-N 3.12Å
1224F27.7Very low26.5Very low206 Ų206156.9 Ų156.990%0.90480%0.799SS**  trans-155.7139.7151.8-114.2-72.3000113.3
1225S26.7Very low26.5Very low81 Ų81158.6 Ų158.657%0.56680%0.798SS**  trans40.784.6164.4-620000119.8Y1227S1225-Y1227 PolarHBondContact O-N 2.99Å
1226Q24.2Very low26.8Very low183 Ų183160.4 Ų160.486%0.85580%0.801SS**  3.8110.9113.4-179.9179.8-2.200115.9
1227Y27Very low27.1Very low216 Ų216158 Ų15885%0.84780%0.796SS**  trans-118.1122.2154.9-85.8-87.5000108.9S1225S1225-Y1227 PolarHBondContact O-N 2.99Å
1228H25Very low27.4Very low147 Ų147152.5 Ų152.568%0.68179%0.791SS**  trans-94.5116.9171.8-175.92.7000108.6
1229V29.7Very low27.5Very low126 Ų126156.1 Ų156.176%0.76480%0.795SS**  trans-114.7153.4162.4-1780000107.4
1230Q25.1Very low27.7Very low166 Ų166153.3 Ų153.378%0.77678%0.779SS**  trans-135.979.4-155.7-173.2-176.9-5.400112.4
1231E27.3Very low28Very low196 Ų196150.3 Ų150.392%0.91678%0.783SS**  trans-156.8155.5175-97.4160.5-152.700107.4
1232G28.9Very low28.1Very low73 Ų73150 Ų15075%0.75378%0.784SS**  cis-164.6156.4-6.400000107.8
1233T27.5Very low28.4Very low150 Ų150149.9 Ų149.992%0.9278%0.777SS**  trans-86137.3-163.552.10000115.7
1234S30.5Very low28.7Very low120 Ų120151.1 Ų151.184%0.83978%0.778SS**  trans-149.9167152.2-1650000111.1
1235R25.9Very low28.7Very low216 Ų216145 Ų14582%0.81576%0.761SS**  trans-139.9177.5-169.4-63.3-176.2-178.9177.10.5112.1
1236Y30.2Very low29Very low218 Ų218152.7 Ų152.786%0.85578%0.779SS**  trans74.5140.9-176.9-62.6-90.5000113.5
1237S31.3Very low29.3Very low101 Ų101152 Ų15271%0.70677%0.774SS**  cis-166.3-179.9-12.1-144.10000108.5
1238P32.1Very low29.5Very low120 Ų120145.5 Ų145.578%0.77977%0.772SS**  cis-117.3178-40.222.3-0.9000112.3
1239R25.7Very low29.7Very low223 Ų223147.2 Ų147.284%0.84278%0.778SS**  trans-104.7129.9176.3-170.3-174-161.7-116.310.7111
1240P32.7Very low29.5Very low68 Ų68145.5 Ų145.544%0.44278%0.777SS.*  trans-68.7156.8174.5-2234.8000113.8
1241P31.8Very low29.7Very low129 Ų129147.5 Ų147.584%0.83878%0.784SS**  trans-76.2164.1-177-12.629.7000113.7
1242S27.8Very low29.7Very low98 Ų98144.3 Ų144.369%0.68578%0.783SS**  trans-124.1105.3179.556.60000112.7
1243H34.7Very low29.7Very low166 Ų166143.8 Ų143.877%0.76978%0.778SS**  trans-141.3143.6163.8-80.9-105.4000106.8
1244H31.7Very low29.6Very low171 Ų171143.6 Ų143.679%0.79277%0.769SS**  cis-131.7159.52.1-117.7-79000111.5
1245S27.3Very low29.5Very low78 Ų78147.5 Ų147.555%0.54577%0.767SS.*  trans-73.9139.3174.9146.50000112.8
1246Y33.1Very low29.4Very low241 Ų241143.2 Ų143.295%0.94577%0.77SS**  trans-130.2147.4141.2-106.8-88.6000110.7
1247F29.4Very low29.3Very low168 Ų168136.2 Ų136.274%0.73776%0.757SS**  trans-89.2138.4-161.5-113.8-114.1000113.9K1249F1247-K1249 HydrophobicContact CD1-CG 4.39Å
1248G31.2Very low29.1Very low80 Ų80139.3 Ų139.383%0.82577%0.766SS**  trans-152.591174.100000112.9
1249K29.6Very low28.9Very low183 Ų183140.1 Ų140.180%0.79677%0.769SS**  trans-78.7149174.1-66.3178.1-174.2176.70109.3F1247F1247-K1249 HydrophobicContact CD1-CG 4.39Å
1250A26.8Very low28.9Very low91 Ų91135 Ų13575%0.75277%0.766SS**  cis-165.6-172.2-1.800000110.6
1251K28.9Very low28.7Very low208 Ų208135.8 Ų135.890%0.90478%0.779SS**  trans99.394.8168.5-61.6-172.1176.1-178.30116.7
1252S27.4Very low28.5Very low128 Ų128136.5 Ų136.590%0.89578%0.776SS**  trans-66.6145.5156.150.90000112.1
1253G27.5Very low28.5Very low63 Ų63140.5 Ų140.565%0.64978%0.784SS**  trans166.7104.2160.500000115.5
1254I25.9Very low28.4Very low145 Ų145141.7 Ų141.774%0.74479%0.79SS**  trans66.7125144.8-49.4163.7000113.6
1255Y28.7Very low28.2Very low203 Ų203141.9 Ų141.980%0.79679%0.791SS**  -151.512566.4-85.5-88.2000113.2A1257Y1255-A1257 HydrophobicContact CD1-CB 3.95Å
1256S24.2Very low28.3Very low125 Ų125143.3 Ų143.387%0.87480%0.801SS**  trans-111.8131.9131.3-63.20000106.1
1257A27.2Very low28.1Very low71 Ų71136.1 Ų136.159%0.58779%0.791SS**  trans-162.498.817600000110.5Y1255Y1255-A1257 HydrophobicContact CD1-CB 3.95Å
1258D26.8Very low28Very low167 Ų167134.7 Ų134.789%0.89379%0.79SS**  trans-71.1135.7159.7-58.5-78.2000109.4
1259V29.2Very low27.9Very low137 Ų137138.4 Ų138.483%0.8379%0.786SS**  trans-138.8125.4168.6-177.40000109.1
1260S24.2Very low27.8Very low114 Ų114137.2 Ų137.280%0.79778%0.783SS**  trans-101.1177.7174.8-66.80000111.6
1261A29.9Very low27.9Very low86 Ų86138.2 Ų138.271%0.71178%0.784SS**  trans90.699.2166.700000118.7
1262N27.7Very low27.9Very low143 Ų143132.5 Ų132.577%0.76578%0.776SS**  41132.7114.7-57.3-3.2000121.9
1263Q28.1Very low28.1Very low182 Ų182132 Ų13285%0.8577%0.768SS**  trans67.7155.6154.9-65.7169.9-3700114.9
1264E31.6Very low28.2Very low192 Ų192133.8 Ų133.890%0.89777%0.77SS**  cis-125.6-16013.4-71.4-176.9118.300114
1265Q28.7Very low28.4Very low175 Ų175134.3 Ų134.382%0.81877%0.769SS**  trans-115.4141.4-156.9-55.1167.2-20.300114.3
1266S28.3Very low28.5Very low108 Ų108131.6 Ų131.676%0.75577%0.774SS**  trans64.7164.3137.272.10000122.5
1267A28.1Very low28.7Very low89 Ų89134.4 Ų134.474%0.73678%0.775SS**  trans72.8150.9167.300000118.8
1268I28.6Very low28.7Very low139 Ų139139 Ų13971%0.71379%0.79SS**  cis-173.2138.2-38.9-113.8159.2000108.2
1269Q28.7Very low28.8Very low158 Ų158135.5 Ų135.574%0.73878%0.784SS**  trans57.7174.1164.4-70169.7-30.400117
1270Q28.3Very low28.8Very low157 Ų157138.3 Ų138.373%0.73479%0.788SS**  cis-153.6165.3-38-107.7168.9-3.100108.4
1271S27.9Very low29.1Very low112 Ų112138.1 Ų138.178%0.78379%0.794SS**  trans29133.9154.164.30000120.6
1272A29.4Very low29.1Very low89 Ų89138.7 Ų138.774%0.73680%0.798SS**  cis-172165.844.100000114.5
1273V31.8Very low29.3Very low118 Ų118139.8 Ų139.872%0.71580%0.803SS**  trans-26.7142.4157.7-133.10000114
1274S29.7Very low29.4Very low99 Ų99133.4 Ų133.469%0.69279%0.787SS**  cis-165.6144.449-57.40000118.1
1275H30.6Very low29.9Very low156 Ų156129.8 Ų129.872%0.72278%0.78SS**  trans44.3112.1134-65.563.6000121.1
1276T29Very low30.4Very low147 Ų147130 Ų13090%0.90278%0.778SS**  -162.4157.7111.211.10000110.3N1278T1276-N1278 PolarHBondContact O-N 3.14Å
1277M29Very low30.9Very low184 Ų184131.2 Ų131.291%0.90677%0.772SS**  trans-92.1104.5-165.4-63.9-177.9-178.300113.1
1278N28.1Very low32.1Very low167 Ų167131.6 Ų131.689%0.89377%0.765SS**  trans-163.9169.2153.8-121.6-36.4000111.5T1276T1276-N1278 PolarHBondContact O-N 3.14Å
1279A28.7Very low33.5Very low94 Ų94129.4 Ų129.478%0.77775%0.754SS**  trans67.7116.3-178.200000116.7
1280Q29.2Very low35.4Very low195 Ų195126.9 Ų126.991%0.91174%0.743SS**  trans-135.6167.9163.5-74.4-172.6-18.300109.2
1281A29.8Very low37.5Very low111 Ų111123.5 Ų123.592%0.91773%0.729SS**SBendtrans68.446.9-178.300000116.7
1282A30Very low39.6Very low97 Ų97124.5 Ų124.580%0.80272%0.716SS**  trans-139.555.1169.700000113.2
1283L32Very low41.8Very low166 Ų166124.6 Ų124.687%0.86970%0.701SS**SBendtrans-127.1140171.4-79.2167.8000110.5
1284G29.4Very low44.1Very low49 Ų49123.7 Ų123.751%0.50569%0.688SS.*  trans-71157.8-153.400000117.4K1286G1284-K1286 PolarHBondContact O-N 2.95Å
1285P42.4Very low46.5Very low116 Ų116122 Ų12275%0.75368%0.676SS**THydrogen-bonded Turntrans-76.831-166.634.2-39.7000115.6
1286K39.8Very low49.1Very low179 Ų179115.3 Ų115.378%0.77865%0.645SS**THydrogen-bonded Turntrans-95-44.8177.5-75.4-169.9174.3-176.50113.3G1284 T1288 L1289G1284-K1286 PolarHBondContact O-N 2.95Å; K1286-T1288 VanDerWaalsContact C-N 3.32Å; K1286-T1288 PolarHBondContact O-N 2.83Å; K1286-L1289 PolarHBondContact O-N 2.89Å; K1286-L1289 VanDerWaalsContact O-N 3.15Å
1287Q38.3Very low51.6Low133 Ų133113.8 Ų113.862%0.62163%0.626SS**Hα-helixtrans-61-41.5179.8-73.9176.8-57.700111.8L1289 E1290 D1291Q1287-L1289 PolarHBondContact O-N 2.84Å; Q1287-L1289 VanDerWaalsContact O-N 3.16Å; Q1287-E1290 PolarHBondContact O-N 3.27Å; Q1287-D1291 PolarHBondContact O-N 2.91Å
1288T53.2Low54.2Low97 Ų97109 Ų10960%0.59560%0.603SS**Hα-helixtrans-61-24.3177.752.40000114.2K1286 R1292K1286-T1288 VanDerWaalsContact C-N 3.32Å; K1286-T1288 PolarHBondContact O-N 2.83Å; T1288-R1292 VanDerWaalsContact O-CB 3.23Å; T1288-R1292 WeakPolarHBondContact O-CB 3.35Å; T1288-R1292 PolarHBondContact O-N 3.09Å
1289L57.7Low57Low93 Ų93104.2 Ų104.249%0.48758%0.577SS.*Hα-helixtrans-75.6-47.2175.9-169.477.6000111.4K1286 Q1287 R1292 Q1293K1286-L1289 PolarHBondContact O-N 2.89Å; K1286-L1289 VanDerWaalsContact O-N 3.15Å; Q1287-L1289 PolarHBondContact O-N 2.84Å; Q1287-L1289 VanDerWaalsContact O-N 3.16Å; L1289-R1292 PolarHBondContact O-N 2.87Å; L1289-Q1293 PolarHBondContact O-N 3.34Å
1290E69.2Low59.8Low106 Ų10699.7 Ų99.750%0.49554%0.54SS..Hα-helixtrans-64.9-44.2177.4-69.1-172.7-168.700111.5Q1287 R1292 Q1293 K1294Q1287-E1290 PolarHBondContact O-N 3.27Å; E1290-R1292 VanDerWaalsContact C-N 3.28Å; E1290-R1292 PolarHBondContact O-N 2.93Å; E1290-Q1293 CarbonylContact O-C 3.54Å; E1290-Q1293 WeakPolarHBondContact O-CA 3.43Å; E1290-Q1293 WeakPolarHBondContact O-CB 3.27Å; E1290-Q1293 PolarHBondContact O-N 3.37Å; E1290-K1294 VanDerWaalsContact O-CG 3.3Å; E1290-K1294 WeakPolarHBondContact O-CG 3.33Å; E1290-K1294 PolarHBondContact O-N 3.13Å; E1290-K1294 IonicContact OE2-NZ 3.04Å; E1290-K1294 PolarHBondContact OE2-NZ 2.87Å
1291D72.8Confident62.4Low85 Ų8593.3 Ų93.346%0.45551%0.51SS..Hα-helixtrans-68.7-31.5-178.1-62.8-24.7000111.2Q1287 K1294 S1295Q1287-D1291 PolarHBondContact O-N 2.91Å; D1291-K1294 PolarHBondContact O-N 3.35Å; D1291-K1294 WeakPolarHBondContact OD1-CD 3.26Å; D1291-K1294 IonicContact OD1-NZ 3.29Å; D1291-K1294 PolarHBondContact OD1-NZ 2.97Å; D1291-S1295 WeakPolarHBondContact O-CB 3.3Å; D1291-S1295 PolarHBondContact O-N 3.08Å
1292R72.6Confident65.1Low133 Ų13391.5 Ų91.550%0.50249%0.486SS..Hα-helixtrans-66.1-39.6166.9-169.5171.875.3115.5-9.7112.4T1288 L1289 E1290 S1295 Q1296T1288-R1292 VanDerWaalsContact O-CB 3.23Å; T1288-R1292 WeakPolarHBondContact O-CB 3.35Å; T1288-R1292 PolarHBondContact O-N 3.09Å; L1289-R1292 PolarHBondContact O-N 2.87Å; E1290-R1292 VanDerWaalsContact C-N 3.28Å; E1290-R1292 PolarHBondContact O-N 2.93Å; R1292-S1295 PolarHBondContact O-N 3.26Å; R1292-Q1296 WeakPolarHBondContact O-CB 3.33Å; R1292-Q1296 VanDerWaalsContact O-CG 3.27Å; R1292-Q1296 WeakPolarHBondContact O-CG 3.48Å; R1292-Q1296 PolarHBondContact O-N 3.09Å
1293Q74.3Confident67.7Low91 Ų9187.1 Ų87.143%0.42545%0.449SS..Hα-helixtrans-65.6-41.7173.9-77.6178-2800112.3L1289 E1290 Q1296 K1297L1289-Q1293 PolarHBondContact O-N 3.34Å; E1290-Q1293 CarbonylContact O-C 3.54Å; E1290-Q1293 WeakPolarHBondContact O-CA 3.43Å; E1290-Q1293 WeakPolarHBondContact O-CB 3.27Å; E1290-Q1293 PolarHBondContact O-N 3.37Å; Q1293-Q1296 PolarHBondContact O-N 3.46Å; Q1293-K1297 WeakPolarHBondContact O-CB 3.43Å; Q1293-K1297 PolarHBondContact O-N 3.28Å
1294K79.8Confident70.2Confident99 Ų9980.5 Ų80.543%0.4341%0.414SS..Hα-helixtrans-59.9-47.6174.5-66.5162.6-155.9156.20110.5E1290 D1291 K1297 L1298E1290-K1294 VanDerWaalsContact O-CG 3.3Å; E1290-K1294 WeakPolarHBondContact O-CG 3.33Å; E1290-K1294 PolarHBondContact O-N 3.13Å; E1290-K1294 IonicContact OE2-NZ 3.04Å; E1290-K1294 PolarHBondContact OE2-NZ 2.87Å; D1291-K1294 PolarHBondContact O-N 3.35Å; D1291-K1294 WeakPolarHBondContact OD1-CD 3.26Å; D1291-K1294 IonicContact OD1-NZ 3.29Å; D1291-K1294 PolarHBondContact OD1-NZ 2.97Å; K1294-K1297 PolarHBondContact O-N 3.46Å; K1294-L1298 WeakPolarHBondContact O-CG 3.47Å; K1294-L1298 PolarHBondContact O-N 3.37Å
1295S81Confident72.7Confident64 Ų6485.4 Ų85.445%0.44842%0.418SS..Hα-helixtrans-59.7-46.7174.9173.40000112.6D1291 R1292 K1297 L1298 L1299D1291-S1295 WeakPolarHBondContact O-CB 3.3Å; D1291-S1295 PolarHBondContact O-N 3.08Å; R1292-S1295 PolarHBondContact O-N 3.26Å; S1295-K1297 VanDerWaalsContact C-N 3.32Å; S1295-K1297 PolarHBondContact O-N 2.86Å; S1295-L1298 PolarHBondContact O-N 3.3Å; S1295-L1299 WeakPolarHBondContact O-CG 3.38Å; S1295-L1299 PolarHBondContact O-N 3.1Å
1296Q84Confident74.6Confident15 Ų1583.6 Ų83.67%0.0741%0.408CS..Hα-helixtrans-64.8-33.3176.9-71.8-171.8-62.100113R1292 Q1293 L1300 S1320 L1324R1292-Q1296 WeakPolarHBondContact O-CB 3.33Å; R1292-Q1296 VanDerWaalsContact O-CG 3.27Å; R1292-Q1296 WeakPolarHBondContact O-CG 3.48Å; R1292-Q1296 PolarHBondContact O-N 3.09Å; Q1293-Q1296 PolarHBondContact O-N 3.46Å; Q1296-L1300 PolarHBondContact O-N 3.35Å; Q1296-S1320 WeakPolarHBondContact CG-OG 3.24Å; Q1296-S1320 WeakPolarHBondContact O-CB 3.43Å; Q1296-L1324 HydrophobicContact CB-CD1 3.77Å
1297K82.2Confident76.7Confident115 Ų11578.5 Ų78.550%0.539%0.389SS..Hα-helixtrans-69.4-41.4173.3-173172.1-174.6-78.50111.7Q1293 K1294 S1295 L1300 E1301 L1324Q1293-K1297 WeakPolarHBondContact O-CB 3.43Å; Q1293-K1297 PolarHBondContact O-N 3.28Å; K1294-K1297 PolarHBondContact O-N 3.46Å; S1295-K1297 VanDerWaalsContact C-N 3.32Å; S1295-K1297 PolarHBondContact O-N 2.86Å; K1297-L1300 PolarHBondContact O-N 3.3Å; K1297-E1301 IonicContact NZ-OE1 3.15Å; K1297-E1301 PolarHBondContact NZ-OE1 3.03Å; K1297-E1301 PolarHBondContact O-N 2.89Å; K1297-L1324 HydrophobicContact CB-CD1 4.31Å
1298L84.3Confident78.9Confident83 Ų8374.6 Ų74.644%0.43537%0.372SS..Hα-helixtrans-61.3-43.7175-73.3167.8000111.8K1294 S1295 L1300 E1301 D1302K1294-L1298 WeakPolarHBondContact O-CG 3.47Å; K1294-L1298 PolarHBondContact O-N 3.37Å; S1295-L1298 PolarHBondContact O-N 3.3Å; L1298-L1300 PolarHBondContact O-N 3.5Å; L1298-E1301 PolarHBondContact O-N 2.83Å; L1298-E1301 VanDerWaalsContact O-N 3.14Å; L1298-D1302 WeakPolarHBondContact O-CB 3.33Å; L1298-D1302 PolarHBondContact O-N 3.18Å
1299L86.9Confident80.6Confident67 Ų6772 Ų7235%0.35136%0.357SS..Hα-helixtrans-55.5-37.1175.7-72.4173.8000113.3S1295 A1303S1295-L1299 WeakPolarHBondContact O-CG 3.38Å; S1295-L1299 PolarHBondContact O-N 3.1Å; L1299-A1303 WeakPolarHBondContact O-CB 3.49Å; L1299-A1303 PolarHBondContact O-N 2.86Å; L1299-A1303 VanDerWaalsContact O-N 3.14Å
1300L86.9Confident82.3Confident0 Ų067.7 Ų67.70%033%0.334CS..Hα-helixtrans-75.1-43.1176.4-64175000112.2Q1296 K1297 L1298 D1302 A1303 I1304 W1313 I1317 W1321 L1324 W1325Q1296-L1300 PolarHBondContact O-N 3.35Å; K1297-L1300 PolarHBondContact O-N 3.3Å; L1298-L1300 PolarHBondContact O-N 3.5Å; L1300-D1302 VanDerWaalsContact C-N 3.32Å; L1300-D1302 PolarHBondContact O-N 3.16Å; L1300-A1303 PolarHBondContact O-N 3.35Å; L1300-I1304 WeakPolarHBondContact O-CG1 3.49Å; L1300-I1304 PolarHBondContact O-N 3.14Å; L1300-I1304 VanDerWaalsContact O-N 3.14Å; L1300-W1313 HydrophobicContact CD2-CZ3 4.22Å; L1300-I1317 HydrophobicContact CD2-CG2 3.97Å; L1300-W1321 HydrophobicContact CD2-CB 3.64Å; L1300-L1324 HydrophobicContact CD1-CB 4.18Å; L1300-L1324 HydrophobicContact CD1-CD1 4.05Å; L1300-W1325 HydrophobicContact CD1-CD2 4.36Å; L1300-W1325 HydrophobicContact CD1-CG 4.27Å
1301E84.1Confident83.3Confident60 Ų6065.5 Ų65.528%0.2833%0.328SS..Hα-helixtrans-62.7-40.3175.7-72.4-178.1-147.100111.5K1297 L1298 I1304 R1305K1297-E1301 IonicContact NZ-OE1 3.15Å; K1297-E1301 PolarHBondContact NZ-OE1 3.03Å; K1297-E1301 PolarHBondContact O-N 2.89Å; L1298-E1301 PolarHBondContact O-N 2.83Å; L1298-E1301 VanDerWaalsContact O-N 3.14Å; E1301-I1304 PolarHBondContact O-N 3.01Å; E1301-R1305 VanDerWaalsContact O-CB 3.32Å; E1301-R1305 WeakPolarHBondContact O-CB 3.38Å; E1301-R1305 WeakPolarHBondContact O-CD 3.49Å; E1301-R1305 WeakPolarHBondContact O-CG 3.43Å; E1301-R1305 PolarHBondContact O-N 3.48Å; E1301-R1305 IonicContact OE2-CZ 3.96Å; E1301-R1305 IonicContact OE2-NH2 2.79Å; E1301-R1305 PolarHBondContact OE2-NH2 3.27Å
1302D86.2Confident84.2Confident74 Ų7464.8 Ų64.840%0.39633%0.33SS..Hα-helixtrans-71-36.7178.9-69.7-35.5000112.7L1298 L1300 I1304 R1305 S1306L1298-D1302 WeakPolarHBondContact O-CB 3.33Å; L1298-D1302 PolarHBondContact O-N 3.18Å; L1300-D1302 VanDerWaalsContact C-N 3.32Å; L1300-D1302 PolarHBondContact O-N 3.16Å; D1302-I1304 VanDerWaalsContact C-N 3.28Å; D1302-I1304 PolarHBondContact O-N 3.14Å; D1302-R1305 WeakPolarHBondContact OD1-CD 3.37Å; D1302-R1305 IonicContact OD1-CZ 2.79Å; D1302-R1305 IonicContact OD1-NE 2.82Å; D1302-R1305 IonicContact OD1-NH1 3.84Å; D1302-R1305 PolarHBondContact OD1-NH1 3.46Å; D1302-S1306 WeakPolarHBondContact O-CB 3.48Å; D1302-S1306 PolarHBondContact O-N 3.48Å; D1302-S1306 PolarHBondContact O-OG 2.62Å
1303A85.1Confident85.2Confident4 Ų458.5 Ų58.53%0.03331%0.306CS..Hα-helixtrans-61.2-36.3171.100000112.4L1299 L1300 S1306 L1308 W1313 I1317L1299-A1303 WeakPolarHBondContact O-CB 3.49Å; L1299-A1303 PolarHBondContact O-N 2.86Å; L1299-A1303 VanDerWaalsContact O-N 3.14Å; L1300-A1303 PolarHBondContact O-N 3.35Å; A1303-S1306 PolarHBondContact O-OG 2.65Å; A1303-S1306 VanDerWaalsContact O-OG 3.1Å; A1303-L1308 VanDerWaalsContact O-CB 3.3Å; A1303-L1308 WeakPolarHBondContact O-CB 3.37Å; A1303-L1308 PolarHBondContact O-N 2.9Å; A1303-L1308 VanDerWaalsContact O-N 3.08Å; A1303-W1313 HydrophobicContact CB-CZ2 4.38Å; A1303-I1317 HydrophobicContact CB-CD1 4.25Å; A1303-I1317 HydrophobicContact CB-CG2 3.92Å
1304I83.2Confident86.1Confident28 Ų2856.8 Ų56.814%0.14431%0.305CS..Hα-helixtrans-82.9-39.8-180-68.1168.5000111.6L1300 E1301 D1302 S1306 N1307 W1313 W1325 F1379 L1383L1300-I1304 WeakPolarHBondContact O-CG1 3.49Å; L1300-I1304 PolarHBondContact O-N 3.14Å; L1300-I1304 VanDerWaalsContact O-N 3.14Å; E1301-I1304 PolarHBondContact O-N 3.01Å; D1302-I1304 VanDerWaalsContact C-N 3.28Å; D1302-I1304 PolarHBondContact O-N 3.14Å; I1304-S1306 PolarHBondContact O-N 3.21Å; I1304-N1307 PolarHBondContact O-N 2.79Å; I1304-N1307 PolarHBondContact O-OD1 2.68Å; I1304-W1313 HydrophobicContact CG1-CH2 4.47Å; I1304-W1313 HydrophobicContact CG1-CZ2 4.14Å; I1304-W1325 HydrophobicContact CD1-CH2 3.24Å; I1304-W1325 HydrophobicContact CD1-CZ2 4.18Å; I1304-W1325 HydrophobicContact CD1-CZ3 3.64Å; I1304-F1379 HydrophobicContact CD1-CE1 4.13Å; I1304-F1379 HydrophobicContact CG1-CE1 4.38Å; I1304-F1379 HydrophobicContact CG2-CE1 4.39Å; I1304-F1379 HydrophobicContact CG2-CZ 4.35Å; I1304-L1383 HydrophobicContact CG2-CD1 4.1Å
1305R82.8Confident86.7Confident152 Ų15253.1 Ų53.157%0.57429%0.291SS*.Hα-helixtrans-60-28.2172.8-71.2161.3-166.4177.50.9112.5E1301 D1302 N1307E1301-R1305 VanDerWaalsContact O-CB 3.32Å; E1301-R1305 WeakPolarHBondContact O-CB 3.38Å; E1301-R1305 WeakPolarHBondContact O-CD 3.49Å; E1301-R1305 WeakPolarHBondContact O-CG 3.43Å; E1301-R1305 PolarHBondContact O-N 3.48Å; E1301-R1305 IonicContact OE2-CZ 3.96Å; E1301-R1305 IonicContact OE2-NH2 2.79Å; E1301-R1305 PolarHBondContact OE2-NH2 3.27Å; D1302-R1305 WeakPolarHBondContact OD1-CD 3.37Å; D1302-R1305 IonicContact OD1-CZ 2.79Å; D1302-R1305 IonicContact OD1-NE 2.82Å; D1302-R1305 IonicContact OD1-NH1 3.84Å; D1302-R1305 PolarHBondContact OD1-NH1 3.46Å; R1305-N1307 VanDerWaalsContact C-N 3.34Å
1306S82.7Confident87.2Confident78 Ų7853.7 Ų53.755%0.54529%0.294SS..THydrogen-bonded Turntrans-88.54.2175.654.10000114D1302 A1303 I1304 L1308D1302-S1306 WeakPolarHBondContact O-CB 3.48Å; D1302-S1306 PolarHBondContact O-N 3.48Å; D1302-S1306 PolarHBondContact O-OG 2.62Å; A1303-S1306 PolarHBondContact O-OG 2.65Å; A1303-S1306 VanDerWaalsContact O-OG 3.1Å; I1304-S1306 PolarHBondContact O-N 3.21Å; S1306-L1308 PolarHBondContact O-N 3.5Å
1307N83.6Confident87.7Confident71 Ų7154 Ų5438%0.3830%0.295SS..THydrogen-bonded Turntrans50.433.8-175.6-65.2-19.1000113.2I1304 R1305 P1309 L1383I1304-N1307 PolarHBondContact O-N 2.79Å; I1304-N1307 PolarHBondContact O-OD1 2.68Å; R1305-N1307 VanDerWaalsContact C-N 3.34Å; N1307-P1309 WeakPolarHBondContact O-CD 3.3Å; N1307-L1383 HydrophobicContact CB-CB 4.32Å
1308L85.5Confident88.2Confident52 Ų5248.7 Ų48.727%0.27227%0.272SS..  trans-69.8119.2-176.6-170.270.9000109.6A1303 S1306 W1313 I1317A1303-L1308 VanDerWaalsContact O-CB 3.3Å; A1303-L1308 WeakPolarHBondContact O-CB 3.37Å; A1303-L1308 PolarHBondContact O-N 2.9Å; A1303-L1308 VanDerWaalsContact O-N 3.08Å; S1306-L1308 PolarHBondContact O-N 3.5Å; L1308-W1313 HydrophobicContact CD2-CG 4.49Å; L1308-W1313 PolarHBondContact O-NE1 2.67Å; L1308-I1317 HydrophobicContact CD2-CD1 4.44Å
1309P88.6Confident88.6Confident43 Ų4345.2 Ų45.228%0.27926%0.255SS..  trans-61.9143.6177.425.9-34.3000110.4N1307 T1311 S1312 W1313 T1384N1307-P1309 WeakPolarHBondContact O-CD 3.3Å; P1309-T1311 PolarHBondContact O-N 2.65Å; P1309-T1311 VanDerWaalsContact O-N 3.09Å; P1309-S1312 PolarHBondContact O-N 3.45Å; P1309-W1313 VanDerWaalsContact O-CD1 3.24Å; P1309-T1384 HydrophobicContact CB-CG2 4.47Å
1310F91.6Very high88.9Confident1 Ų142.1 Ų42.10%0.00424%0.238CC..G310 helixtrans-53.8-36-173.6178.1-104.6000113.4S1312 W1313 L1318 W1321 G1343 L1346 A1347 V1373 M1376 L1377 T1380F1310-S1312 PolarHBondContact O-N 2.92Å; F1310-W1313 AromaticContact CD2-CD2 3.86Å; F1310-W1313 HydrophobicContact CD2-CD2 3.86Å; F1310-W1313 AromaticContact CD2-CE3 3.69Å; F1310-W1313 HydrophobicContact CD2-CE3 3.69Å; F1310-W1313 HydrophobicContact CD2-CG 4.34Å; F1310-W1313 HydrophobicContact CD2-CZ3 4.06Å; F1310-W1313 AromaticContact CE2-CE3 3.96Å; F1310-W1313 HydrophobicContact CE2-CE3 3.96Å; F1310-W1313 HydrophobicContact CE2-CZ3 4.3Å; F1310-W1313 WeakPolarHBondContact O-CB 3.26Å; F1310-W1313 PolarHBondContact O-N 2.77Å; F1310-L1318 HydrophobicContact CE2-CD2 3.68Å; F1310-L1318 HydrophobicContact CZ-CD2 3.87Å; F1310-W1321 HydrophobicContact CE2-CD2 4.29Å; F1310-W1321 AromaticContact CE2-CE3 3.95Å; F1310-W1321 HydrophobicContact CE2-CE3 3.95Å; F1310-W1321 HydrophobicContact CE2-CH2 4.12Å; F1310-W1321 HydrophobicContact CE2-CZ2 4.44Å; F1310-W1321 AromaticContact CE2-CZ3 3.87Å; F1310-W1321 HydrophobicContact CE2-CZ3 3.87Å; F1310-W1321 HydrophobicContact CZ-CE3 4.26Å; F1310-W1321 HydrophobicContact CZ-CH2 4Å; F1310-W1321 AromaticContact CZ-CZ3 3.76Å; F1310-W1321 HydrophobicContact CZ-CZ3 3.76Å; F1310-G1343 WeakPolarHBondContact O-CA 3.45Å; F1310-L1346 HydrophobicContact CZ-CD2 4.13Å; F1310-L1346 HydrophobicContact CZ-CG 4.49Å; F1310-A1347 HydrophobicContact CE1-CB 4.48Å; F1310-V1373 HydrophobicContact CE1-CG1 4.03Å; F1310-V1373 HydrophobicContact CE1-CG2 4.45Å; F1310-V1373 HydrophobicContact CZ-CG2 4.32Å; F1310-M1376 HydrophobicContact CB-CG 4.1Å; F1310-M1376 HydrophobicContact CD2-CB 4.07Å; F1310-M1376 HydrophobicContact CD2-CG 3.23Å; F1310-M1376 HydrophobicContact CE2-CB 4.3Å; F1310-M1376 HydrophobicContact CE2-CG 3.75Å; F1310-M1376 HydrophobicContact CG-CB 4.39Å; F1310-M1376 HydrophobicContact CG-CG 3.8Å; F1310-L1377 HydrophobicContact CB-CD2 4.25Å; F1310-L1377 HydrophobicContact CD1-CD2 3.88Å; F1310-L1377 HydrophobicContact CD1-CG 4Å; F1310-T1380 HydrophobicContact CB-CG2 4.2Å; F1310-T1380 WeakPolarHBondContact CB-OG1 3.34Å; F1310-T1380 PolarHBondContact N-OG1 3.37Å
1311T91.6Very high89.2Confident61 Ų6142.1 Ų42.137%0.37424%0.239SC..G310 helixtrans-55.7-31.9175.747.70000113.6P1309 A1344 L1377P1309-T1311 PolarHBondContact O-N 2.65Å; P1309-T1311 VanDerWaalsContact O-N 3.09Å; T1311-A1344 WeakPolarHBondContact O-CB 3.39Å; T1311-A1344 PolarHBondContact O-N 3Å; T1311-L1377 HydrophobicContact CG2-CD2 4.09Å
1312S90.7Very high89.6Confident70 Ų7039.3 Ų39.349%0.4923%0.225SC..G310 helixtrans-89.31.5179.4-60.50000114.2P1309 F1310P1309-S1312 PolarHBondContact O-N 3.45Å; F1310-S1312 PolarHBondContact O-N 2.92Å
1313W93.7Very high89.8Confident0 Ų038.6 Ų38.60%022%0.219CC..  trans-70.4135.5178.9-70.819.8000110.9L1300 A1303 I1304 L1308 P1309 F1310 I1317 L1318 W1321 S1342 G1343 M1376 T1380L1300-W1313 HydrophobicContact CD2-CZ3 4.22Å; A1303-W1313 HydrophobicContact CB-CZ2 4.38Å; I1304-W1313 HydrophobicContact CG1-CH2 4.47Å; I1304-W1313 HydrophobicContact CG1-CZ2 4.14Å; L1308-W1313 HydrophobicContact CD2-CG 4.49Å; L1308-W1313 PolarHBondContact O-NE1 2.67Å; P1309-W1313 VanDerWaalsContact O-CD1 3.24Å; F1310-W1313 AromaticContact CD2-CD2 3.86Å; F1310-W1313 HydrophobicContact CD2-CD2 3.86Å; F1310-W1313 AromaticContact CD2-CE3 3.69Å; F1310-W1313 HydrophobicContact CD2-CE3 3.69Å; F1310-W1313 HydrophobicContact CD2-CG 4.34Å; F1310-W1313 HydrophobicContact CD2-CZ3 4.06Å; F1310-W1313 AromaticContact CE2-CE3 3.96Å; F1310-W1313 HydrophobicContact CE2-CE3 3.96Å; F1310-W1313 HydrophobicContact CE2-CZ3 4.3Å; F1310-W1313 WeakPolarHBondContact O-CB 3.26Å; F1310-W1313 PolarHBondContact O-N 2.77Å; W1313-I1317 HydrophobicContact CB-CB 4.42Å; W1313-I1317 HydrophobicContact CB-CG2 4.29Å; W1313-I1317 HydrophobicContact CD2-CG2 3.79Å; W1313-I1317 HydrophobicContact CE3-CG2 3.6Å; W1313-I1317 HydrophobicContact CG-CG2 4.12Å; W1313-I1317 HydrophobicContact CZ3-CG2 4.21Å; W1313-L1318 HydrophobicContact CB-CD2 4.06Å; W1313-L1318 HydrophobicContact CB-CG 4.48Å; W1313-L1318 HydrophobicContact CE3-CD2 4.33Å; W1313-W1321 HydrophobicContact CZ3-CB 3.99Å; W1313-W1321 AromaticContact CZ3-CG 3.93Å; W1313-W1321 HydrophobicContact CZ3-CG 3.93Å; W1313-S1342 CarbonylContact O-C 3.53Å; W1313-S1342 VanDerWaalsContact O-CA 3.32Å; W1313-S1342 WeakPolarHBondContact O-CA 3.35Å; W1313-G1343 PolarHBondContact O-N 3.08Å; W1313-M1376 HydrophobicContact CH2-CE 4.01Å; W1313-M1376 HydrophobicContact CH2-CG 4.14Å; W1313-M1376 HydrophobicContact CH2-SD 3.58Å; W1313-M1376 VanDerWaalsContact CH2-SD 3.58Å; W1313-M1376 HydrophobicContact CZ2-SD 4.02Å; W1313-M1376 HydrophobicContact CZ3-CG 4.36Å; W1313-M1376 HydrophobicContact CZ3-SD 4.31Å; W1313-T1380 HydrophobicContact CZ2-CG2 3.97Å
1314S93.3Very high89.9Confident56 Ų5641.2 Ų41.239%0.39223%0.232SC..BIsolated β-bridgetrans-85.4158.7178.763.10000112.2I1317 L1318S1314-I1317 WeakPolarHBondContact O-CA 3.36Å; S1314-I1317 WeakPolarHBondContact O-CB 3.16Å; S1314-I1317 PolarHBondContact O-N 3.05Å; S1314-I1317 WeakPolarHBondContact OG-CD1 3.42Å; S1314-L1318 PolarHBondContact O-N 2.85Å
1315S92.4Very high90.1Very high21 Ų2141.7 Ų41.715%0.14723%0.232CC..Hα-helixtrans-48.7-43-178.2-163.70000114.9I1317 L1318 V1319 I1340 K1341S1315-I1317 VanDerWaalsContact C-N 3.3Å; S1315-I1317 PolarHBondContact O-N 3.18Å; S1315-L1318 PolarHBondContact O-N 3.31Å; S1315-V1319 WeakPolarHBondContact O-CB 3.32Å; S1315-V1319 WeakPolarHBondContact O-CG2 3.33Å; S1315-V1319 PolarHBondContact O-N 3.49Å; S1315-I1340 WeakPolarHBondContact CB-O 3.21Å; S1315-I1340 PolarHBondContact OG-O 2.94Å; S1315-K1341 PolarHBondContact N-O 3.25Å; S1315-K1341 VanDerWaalsContact N-O 3.13Å
1316P92.8Very high90.5Very high77 Ų7734.5 Ų34.550%0.521%0.205SC..Hα-helixtrans-62.7-30.3175.3-24.435.9000114.8S1320P1316-S1320 WeakPolarHBondContact O-CB 3.31Å; P1316-S1320 PolarHBondContact O-N 3.5Å; P1316-S1320 VanDerWaalsContact O-N 3.17Å; P1316-S1320 PolarHBondContact O-OG 2.91Å
1317I93.1Very high90.8Very high20 Ų2031.4 Ų31.410%0.10319%0.185CC..Hα-helixtrans-73.9-45.5174.9-55.5172.5000108.9L1300 A1303 L1308 W1313 S1314 S1315 V1319 S1320 W1321L1300-I1317 HydrophobicContact CD2-CG2 3.97Å; A1303-I1317 HydrophobicContact CB-CD1 4.25Å; A1303-I1317 HydrophobicContact CB-CG2 3.92Å; L1308-I1317 HydrophobicContact CD2-CD1 4.44Å; W1313-I1317 HydrophobicContact CB-CB 4.42Å; W1313-I1317 HydrophobicContact CB-CG2 4.29Å; W1313-I1317 HydrophobicContact CD2-CG2 3.79Å; W1313-I1317 HydrophobicContact CE3-CG2 3.6Å; W1313-I1317 HydrophobicContact CG-CG2 4.12Å; W1313-I1317 HydrophobicContact CZ3-CG2 4.21Å; S1314-I1317 WeakPolarHBondContact O-CA 3.36Å; S1314-I1317 WeakPolarHBondContact O-CB 3.16Å; S1314-I1317 PolarHBondContact O-N 3.05Å; S1314-I1317 WeakPolarHBondContact OG-CD1 3.42Å; S1315-I1317 VanDerWaalsContact C-N 3.3Å; S1315-I1317 PolarHBondContact O-N 3.18Å; I1317-V1319 PolarHBondContact O-N 3.23Å; I1317-S1320 WeakPolarHBondContact O-CB 3.4Å; I1317-S1320 PolarHBondContact O-N 3.17Å; I1317-S1320 VanDerWaalsContact O-N 3.16Å; I1317-W1321 WeakPolarHBondContact O-CB 3.5Å; I1317-W1321 PolarHBondContact O-N 3.45Å
1318L93.9Very high91.2Very high4 Ų428.4 Ų28.42%0.02117%0.169CC..Hα-helixtrans-59.3-45.9174.6-64.2-179.3000112.6F1310 W1313 S1314 S1315 S1320 W1321 L1322 I1340 L1346F1310-L1318 HydrophobicContact CE2-CD2 3.68Å; F1310-L1318 HydrophobicContact CZ-CD2 3.87Å; W1313-L1318 HydrophobicContact CB-CD2 4.06Å; W1313-L1318 HydrophobicContact CB-CG 4.48Å; W1313-L1318 HydrophobicContact CE3-CD2 4.33Å; S1314-L1318 PolarHBondContact O-N 2.85Å; S1315-L1318 PolarHBondContact O-N 3.31Å; L1318-S1320 PolarHBondContact O-N 2.9Å; L1318-W1321 HydrophobicContact CD2-CE3 4.46Å; L1318-W1321 PolarHBondContact O-N 2.95Å; L1318-W1321 VanDerWaalsContact O-N 3.14Å; L1318-L1322 WeakPolarHBondContact O-CB 3.42Å; L1318-L1322 VanDerWaalsContact O-CG 3.26Å; L1318-L1322 WeakPolarHBondContact O-CG 3.47Å; L1318-L1322 PolarHBondContact O-N 3.46Å; L1318-I1340 HydrophobicContact CD1-CG2 3.7Å; L1318-L1346 HydrophobicContact CD1-CD2 4.45Å; L1318-L1346 HydrophobicContact CD2-CD2 4.34Å
1319V93Very high91.5Very high11 Ų1127.6 Ų27.67%0.06717%0.167CC..Hα-helixtrans-59.1-38.2175.7163.10000111.2S1315 I1317 K1323 V1333 E1337S1315-V1319 WeakPolarHBondContact O-CB 3.32Å; S1315-V1319 WeakPolarHBondContact O-CG2 3.33Å; S1315-V1319 PolarHBondContact O-N 3.49Å; I1317-V1319 PolarHBondContact O-N 3.23Å; V1319-K1323 WeakPolarHBondContact O-CB 3.39Å; V1319-K1323 PolarHBondContact O-N 3.15Å; V1319-V1333 HydrophobicContact CB-CG1 4.31Å; V1319-V1333 HydrophobicContact CG1-CG1 3.79Å; V1319-V1333 HydrophobicContact CG2-CG1 4.31Å; V1319-E1337 HydrophobicContact CG2-CB 3.68Å; V1319-E1337 HydrophobicContact CG2-CG 3.82Å
1320S91.1Very high91.6Very high1 Ų129.4 Ų29.41%0.00719%0.186CC..Hα-helixtrans-68.7-42.8174.7-58.20000111.6Q1296 P1316 I1317 L1318 L1324Q1296-S1320 WeakPolarHBondContact CG-OG 3.24Å; Q1296-S1320 WeakPolarHBondContact O-CB 3.43Å; P1316-S1320 WeakPolarHBondContact O-CB 3.31Å; P1316-S1320 PolarHBondContact O-N 3.5Å; P1316-S1320 VanDerWaalsContact O-N 3.17Å; P1316-S1320 PolarHBondContact O-OG 2.91Å; I1317-S1320 WeakPolarHBondContact O-CB 3.4Å; I1317-S1320 PolarHBondContact O-N 3.17Å; I1317-S1320 VanDerWaalsContact O-N 3.16Å; L1318-S1320 PolarHBondContact O-N 2.9Å; S1320-L1324 VanDerWaalsContact O-CB 3.24Å; S1320-L1324 WeakPolarHBondContact O-CB 3.45Å; S1320-L1324 VanDerWaalsContact O-CG 3.31Å; S1320-L1324 WeakPolarHBondContact O-CG 3.47Å; S1320-L1324 PolarHBondContact O-N 2.92Å
1321W93.4Very high91.5Very high1 Ų136.9 Ų36.90%0.00421%0.214CC..Hα-helixtrans-67.1-51.3-179.9171.366.6000112.6L1300 F1310 W1313 I1317 L1318 K1323 L1324 W1325 V1326 L1346 A1372 V1373 M1376L1300-W1321 HydrophobicContact CD2-CB 3.64Å; F1310-W1321 HydrophobicContact CE2-CD2 4.29Å; F1310-W1321 AromaticContact CE2-CE3 3.95Å; F1310-W1321 HydrophobicContact CE2-CE3 3.95Å; F1310-W1321 HydrophobicContact CE2-CH2 4.12Å; F1310-W1321 HydrophobicContact CE2-CZ2 4.44Å; F1310-W1321 AromaticContact CE2-CZ3 3.87Å; F1310-W1321 HydrophobicContact CE2-CZ3 3.87Å; F1310-W1321 HydrophobicContact CZ-CE3 4.26Å; F1310-W1321 HydrophobicContact CZ-CH2 4Å; F1310-W1321 AromaticContact CZ-CZ3 3.76Å; F1310-W1321 HydrophobicContact CZ-CZ3 3.76Å; W1313-W1321 HydrophobicContact CZ3-CB 3.99Å; W1313-W1321 AromaticContact CZ3-CG 3.93Å; W1313-W1321 HydrophobicContact CZ3-CG 3.93Å; I1317-W1321 WeakPolarHBondContact O-CB 3.5Å; I1317-W1321 PolarHBondContact O-N 3.45Å; L1318-W1321 HydrophobicContact CD2-CE3 4.46Å; L1318-W1321 PolarHBondContact O-N 2.95Å; L1318-W1321 VanDerWaalsContact O-N 3.14Å; W1321-K1323 PolarHBondContact O-N 2.77Å; W1321-L1324 PolarHBondContact O-N 3.38Å; W1321-W1325 AromaticContact CD1-CE3 3.97Å; W1321-W1325 PolarHBondContact O-N 2.87Å; W1321-V1326 HydrophobicContact CD2-CG2 3.75Å; W1321-V1326 HydrophobicContact CE3-CG2 4.08Å; W1321-V1326 HydrophobicContact CG-CG2 4.4Å; W1321-V1326 HydrophobicContact CH2-CG2 3.81Å; W1321-V1326 HydrophobicContact CZ2-CG2 3.45Å; W1321-V1326 VanDerWaalsContact CZ2-CG2 3.45Å; W1321-V1326 HydrophobicContact CZ3-CG2 4.1Å; W1321-V1326 PolarHBondContact O-N 3.42Å; W1321-V1326 VanDerWaalsContact O-N 3.1Å; W1321-L1346 HydrophobicContact CZ3-CD2 3.9Å; W1321-A1372 HydrophobicContact CH2-CB 4.08Å; W1321-A1372 HydrophobicContact CZ2-CB 3.89Å; W1321-A1372 WeakPolarHBondContact CZ2-O 3.25Å; W1321-V1373 HydrophobicContact CH2-CG2 3.83Å; W1321-V1373 HydrophobicContact CZ3-CG2 4.27Å; W1321-M1376 HydrophobicContact CZ2-CB 3.99Å; W1321-M1376 HydrophobicContact CZ2-CG 4.4Å; W1321-M1376 VanDerWaalsContact NE1-CE 3.31Å
1322L93Very high91.6Very high0 Ų034.5 Ų34.50%020%0.198CC..Iπ-helixtrans-55.8-42.6177.2-70.8168.1000110.9L1318 V1326 G1327 M1328 V1333 C1336 L1369L1318-L1322 WeakPolarHBondContact O-CB 3.42Å; L1318-L1322 VanDerWaalsContact O-CG 3.26Å; L1318-L1322 WeakPolarHBondContact O-CG 3.47Å; L1318-L1322 PolarHBondContact O-N 3.46Å; L1322-V1326 HydrophobicContact CD2-CG2 4.33Å; L1322-G1327 PolarHBondContact O-N 3.34Å; L1322-M1328 HydrophobicContact CB-CB 4.37Å; L1322-M1328 HydrophobicContact CB-CG 4.38Å; L1322-M1328 HydrophobicContact CD2-CG 4.08Å; L1322-M1328 PolarHBondContact O-N 2.92Å; L1322-V1333 HydrophobicContact CB-CG2 4.15Å; L1322-C1336 HydrophobicContact CD1-CB 3.56Å; L1322-L1369 HydrophobicContact CD2-CD1 3.68Å
1323K90.4Very high91.7Very high60 Ų6031.6 Ų31.626%0.26118%0.178SC..Iπ-helixtrans-74.1-43.8-179.8-177.2-173.3166.6-164.90113.5V1319 W1321 V1333V1319-K1323 WeakPolarHBondContact O-CB 3.39Å; V1319-K1323 PolarHBondContact O-N 3.15Å; W1321-K1323 PolarHBondContact O-N 2.77Å; K1323-V1333 HydrophobicContact CB-CG2 4.28Å
1324L86.6Confident91.5Very high58 Ų5834 Ų3430%0.30420%0.197SC..Iπ-helixtrans-94.6-35.5-169.7-63.3179.4000114.3Q1296 K1297 L1300 S1320 W1321Q1296-L1324 HydrophobicContact CB-CD1 3.77Å; K1297-L1324 HydrophobicContact CB-CD1 4.31Å; L1300-L1324 HydrophobicContact CD1-CB 4.18Å; L1300-L1324 HydrophobicContact CD1-CD1 4.05Å; S1320-L1324 VanDerWaalsContact O-CB 3.24Å; S1320-L1324 WeakPolarHBondContact O-CB 3.45Å; S1320-L1324 VanDerWaalsContact O-CG 3.31Å; S1320-L1324 WeakPolarHBondContact O-CG 3.47Å; S1320-L1324 PolarHBondContact O-N 2.92Å; W1321-L1324 PolarHBondContact O-N 3.38Å
1325W89.4Confident91.4Very high39 Ų3932.5 Ų32.515%0.14819%0.188CC..Iπ-helixtrans-110.8-37.4-172.2-69.714.3000112.5L1300 I1304 W1321 M1376 I1410 K1411 G1412L1300-W1325 HydrophobicContact CD1-CD2 4.36Å; L1300-W1325 HydrophobicContact CD1-CG 4.27Å; I1304-W1325 HydrophobicContact CD1-CH2 3.24Å; I1304-W1325 HydrophobicContact CD1-CZ2 4.18Å; I1304-W1325 HydrophobicContact CD1-CZ3 3.64Å; W1321-W1325 AromaticContact CD1-CE3 3.97Å; W1321-W1325 PolarHBondContact O-N 2.87Å; W1325-M1376 HydrophobicContact CE3-CE 3.74Å; W1325-M1376 HydrophobicContact CZ3-CE 3.82Å; W1325-I1410 HydrophobicContact CE3-CG2 4.23Å; W1325-I1410 VanDerWaalsContact CE3-O 3.26Å; W1325-I1410 HydrophobicContact CZ3-CG2 3.82Å; W1325-K1411 HydrophobicContact CH2-CG 4.42Å; W1325-G1412 VanDerWaalsContact O-CA 3.23Å; W1325-G1412 WeakPolarHBondContact O-CA 3.31Å
1326V90.4Very high91.3Very high0 Ų031.8 Ų31.80%018%0.183CC..Iπ-helixtrans-80.6-29.4173.4-167.80000111.2W1321 L1322 M1328 K1368 A1372W1321-V1326 HydrophobicContact CD2-CG2 3.75Å; W1321-V1326 HydrophobicContact CE3-CG2 4.08Å; W1321-V1326 HydrophobicContact CG-CG2 4.4Å; W1321-V1326 HydrophobicContact CH2-CG2 3.81Å; W1321-V1326 HydrophobicContact CZ2-CG2 3.45Å; W1321-V1326 VanDerWaalsContact CZ2-CG2 3.45Å; W1321-V1326 HydrophobicContact CZ3-CG2 4.1Å; W1321-V1326 PolarHBondContact O-N 3.42Å; W1321-V1326 VanDerWaalsContact O-N 3.1Å; L1322-V1326 HydrophobicContact CD2-CG2 4.33Å; V1326-M1328 HydrophobicContact CB-CG 4.04Å; V1326-M1328 HydrophobicContact CG1-CG 3.72Å; V1326-M1328 HydrophobicContact CG1-SD 4.06Å; V1326-K1368 HydrophobicContact CG1-CG 4.39Å; V1326-K1368 WeakPolarHBondContact O-CE 3.42Å; V1326-K1368 PolarHBondContact O-NZ 3.36Å; V1326-A1372 HydrophobicContact CG1-CB 3.92Å; V1326-A1372 HydrophobicContact CG2-CB 3.97Å
1327G89.7Confident91.3Very high14 Ų1433.6 Ų33.614%0.14419%0.185CC..  trans69.639.1-176.700000112.4L1322 H1416L1322-G1327 PolarHBondContact O-N 3.34Å; G1327-H1416 PolarHBondContact O-CE1 3.23Å
1328M91.4Very high91.1Very high8 Ų835.9 Ų35.94%0.03921%0.207CC..  trans-74.3133.5176.3-67.1-64.7-92.200110.7L1322 V1326 Y1332 V1333 I1360 K1368 L1369L1322-M1328 HydrophobicContact CB-CB 4.37Å; L1322-M1328 HydrophobicContact CB-CG 4.38Å; L1322-M1328 HydrophobicContact CD2-CG 4.08Å; L1322-M1328 PolarHBondContact O-N 2.92Å; V1326-M1328 HydrophobicContact CB-CG 4.04Å; V1326-M1328 HydrophobicContact CG1-CG 3.72Å; V1326-M1328 HydrophobicContact CG1-SD 4.06Å; M1328-Y1332 HydrophobicContact CE-CD2 3.81Å; M1328-Y1332 HydrophobicContact CE-CG 4.14Å; M1328-V1333 HydrophobicContact CB-CG2 3.93Å; M1328-V1333 WeakPolarHBondContact O-CG2 3.43Å; M1328-I1360 HydrophobicContact CE-CD1 4.17Å; M1328-K1368 HydrophobicContact SD-CD 3.9Å; M1328-L1369 HydrophobicContact CE-CB 4.43Å
1329P91.7Very high90.9Very high34 Ų3439.2 Ų39.222%0.22123%0.225CC..  trans-52.8145.9171.9-30.135.4000113.5W1331 Y1332 V1333 L1440P1329-W1331 HydrophobicContact CB-CD2 4.43Å; P1329-W1331 HydrophobicContact CB-CG 4.38Å; P1329-W1331 HydrophobicContact CB-CZ2 4.34Å; P1329-W1331 VanDerWaalsContact CB-NE1 3.26Å; P1329-W1331 PolarHBondContact O-N 3.44Å; P1329-Y1332 PolarHBondContact O-N 3.46Å; P1329-V1333 PolarHBondContact O-N 3.32Å; P1329-L1440 HydrophobicContact CG-CD1 3.83Å; P1329-L1440 HydrophobicContact CG-CD2 3.82Å; P1329-L1440 HydrophobicContact CG-CG 4.47Å
1330A90.7Very high90.8Very high82 Ų8238.9 Ų38.968%0.67822%0.223SC*.Hα-helixtrans-55.3-27.3-172.800000114.8V1333 A1334A1330-V1333 PolarHBondContact O-N 2.88Å; A1330-A1334 WeakPolarHBondContact O-CB 3.42Å; A1330-A1334 PolarHBondContact O-N 2.82Å
1331W88.7Confident90.8Very high158 Ų15846.4 Ų46.460%0.59826%0.255SS*.Hα-helixtrans-76.3-32.3177.250.9-87.1000113.4P1329 A1335P1329-W1331 HydrophobicContact CB-CD2 4.43Å; P1329-W1331 HydrophobicContact CB-CG 4.38Å; P1329-W1331 HydrophobicContact CB-CZ2 4.34Å; P1329-W1331 VanDerWaalsContact CB-NE1 3.26Å; P1329-W1331 PolarHBondContact O-N 3.44Å; W1331-A1335 PolarHBondContact O-N 3.3Å; W1331-A1335 VanDerWaalsContact O-N 3.13Å
1332Y93.5Very high90.7Very high11 Ų1148.1 Ų48.14%0.04327%0.268CS..Hα-helixtrans-72.6-37.7166.6-75.1-39.8000111.7M1328 P1329 A1334 A1335 C1336 I1360 H1365 L1440M1328-Y1332 HydrophobicContact CE-CD2 3.81Å; M1328-Y1332 HydrophobicContact CE-CG 4.14Å; P1329-Y1332 PolarHBondContact O-N 3.46Å; Y1332-A1334 VanDerWaalsContact C-N 3.31Å; Y1332-A1334 PolarHBondContact O-N 2.86Å; Y1332-A1335 PolarHBondContact O-N 3.3Å; Y1332-C1336 PolarHBondContact O-N 3.1Å; Y1332-C1336 PolarHBondContact O-SG 2.99Å; Y1332-I1360 HydrophobicContact CD1-CD1 3.96Å; Y1332-I1360 HydrophobicContact CD1-CG1 3.83Å; Y1332-I1360 HydrophobicContact CE1-CB 4.05Å; Y1332-I1360 HydrophobicContact CE1-CD1 4.05Å; Y1332-I1360 HydrophobicContact CE1-CG1 3.56Å; Y1332-I1360 HydrophobicContact CE1-CG2 4.06Å; Y1332-I1360 HydrophobicContact CE2-CG2 4.49Å; Y1332-I1360 HydrophobicContact CG-CD1 4.36Å; Y1332-H1365 HydrophobicContact CE2-CB 4.07Å; Y1332-H1365 AromaticContact CE2-CG 3.96Å; Y1332-H1365 AromaticContact CE2-ND1 3.38Å; Y1332-H1365 WeakPolarHBondContact CE2-ND1 3.36Å; Y1332-H1365 AromaticContact CZ-ND1 3.56Å; Y1332-H1365 PolarHBondContact OH-ND1 3.36Å; Y1332-L1440 HydrophobicContact CD2-CD1 4.45Å; Y1332-L1440 HydrophobicContact CE2-CD1 4.21Å
1333V92.7Very high90.6Very high9 Ų948.1 Ų48.16%0.05527%0.268CS..Hα-helixtrans-60-44175.1178.80000110.3V1319 L1322 K1323 M1328 P1329 A1330 C1336 E1337V1319-V1333 HydrophobicContact CB-CG1 4.31Å; V1319-V1333 HydrophobicContact CG1-CG1 3.79Å; V1319-V1333 HydrophobicContact CG2-CG1 4.31Å; L1322-V1333 HydrophobicContact CB-CG2 4.15Å; K1323-V1333 HydrophobicContact CB-CG2 4.28Å; M1328-V1333 HydrophobicContact CB-CG2 3.93Å; M1328-V1333 WeakPolarHBondContact O-CG2 3.43Å; P1329-V1333 PolarHBondContact O-N 3.32Å; A1330-V1333 PolarHBondContact O-N 2.88Å; V1333-C1336 PolarHBondContact O-N 2.91Å; V1333-E1337 WeakPolarHBondContact O-CB 3.36Å; V1333-E1337 PolarHBondContact O-N 3.4Å
1334A91.4Very high90.7Very high49 Ų4947.4 Ų47.441%0.40527%0.273SS..Hα-helixtrans-65.5-36.1175.400000113.5A1330 Y1332 E1337 A1338A1330-A1334 WeakPolarHBondContact O-CB 3.42Å; A1330-A1334 PolarHBondContact O-N 2.82Å; Y1332-A1334 VanDerWaalsContact C-N 3.31Å; Y1332-A1334 PolarHBondContact O-N 2.86Å; A1334-E1337 PolarHBondContact O-N 2.86Å; A1334-A1338 WeakPolarHBondContact O-CB 3.3Å; A1334-A1338 PolarHBondContact O-N 2.9Å
1335A90.8Very high90.9Very high26 Ų2648.1 Ų48.122%0.21528%0.275CS..Hα-helixtrans-65-39.9173.200000111.9W1331 Y1332 N1339W1331-A1335 PolarHBondContact O-N 3.3Å; W1331-A1335 VanDerWaalsContact O-N 3.13Å; Y1332-A1335 PolarHBondContact O-N 3.3Å; A1335-N1339 WeakPolarHBondContact O-CB 3.44Å; A1335-N1339 PolarHBondContact O-N 3.42Å; A1335-N1339 VanDerWaalsContact O-N 3.15Å
1336C90.2Very high91Very high5 Ų546.4 Ų46.43%0.03427%0.269CS..Hα-helixtrans-66.8-42.7173.1-60.20000111.4L1322 Y1332 V1333 A1338 N1339 I1340 L1358L1322-C1336 HydrophobicContact CD1-CB 3.56Å; Y1332-C1336 PolarHBondContact O-N 3.1Å; Y1332-C1336 PolarHBondContact O-SG 2.99Å; V1333-C1336 PolarHBondContact O-N 2.91Å; C1336-A1338 VanDerWaalsContact C-N 3.3Å; C1336-A1338 PolarHBondContact O-N 3.39Å; C1336-N1339 PolarHBondContact O-N 2.89Å; C1336-I1340 HydrophobicContact CB-CD1 4.45Å; C1336-I1340 WeakPolarHBondContact O-CA 3.36Å; C1336-I1340 VanDerWaalsContact O-CB 3.3Å; C1336-I1340 WeakPolarHBondContact O-CB 3.4Å; C1336-I1340 PolarHBondContact O-N 3.02Å; C1336-L1358 HydrophobicContact CB-CD2 4.36Å
1337E91.9Very high91.1Very high115 Ų11548.2 Ų48.254%0.53728%0.284SS..Hα-helixtrans-61.3-35.6178-171166.1-161.700112.6V1319 V1333 A1334V1319-E1337 HydrophobicContact CG2-CB 3.68Å; V1319-E1337 HydrophobicContact CG2-CG 3.82Å; V1333-E1337 WeakPolarHBondContact O-CB 3.36Å; V1333-E1337 PolarHBondContact O-N 3.4Å; A1334-E1337 PolarHBondContact O-N 2.86Å
1338A90.4Very high91.1Very high69 Ų6951.9 Ų51.957%0.5731%0.307SS*.Hα-helixtrans-73.7-42.3176.200000113.4A1334 C1336A1334-A1338 WeakPolarHBondContact O-CB 3.3Å; A1334-A1338 PolarHBondContact O-N 2.9Å; C1336-A1338 VanDerWaalsContact C-N 3.3Å; C1336-A1338 PolarHBondContact O-N 3.39Å
1339N89.1Confident91Very high74 Ų7452.8 Ų52.840%0.39631%0.312SS..Hα-helixtrans-104.3-23.4-165.5-62-14.9000113.8A1335 C1336 E1357 L1358A1335-N1339 WeakPolarHBondContact O-CB 3.44Å; A1335-N1339 PolarHBondContact O-N 3.42Å; A1335-N1339 VanDerWaalsContact O-N 3.15Å; C1336-N1339 PolarHBondContact O-N 2.89Å; N1339-E1357 PolarHBondContact ND2-O 2.96Å; N1339-L1358 HydrophobicContact CB-CD2 4.45Å
1340I90.2Very high90.8Very high3 Ų353 Ų532%0.01531%0.314CS..  trans-113.9121.7-173.8-58.7-176.4000110.9S1315 L1318 C1336 S1342 M1345 L1346 L1349 L1358S1315-I1340 WeakPolarHBondContact CB-O 3.21Å; S1315-I1340 PolarHBondContact OG-O 2.94Å; L1318-I1340 HydrophobicContact CD1-CG2 3.7Å; C1336-I1340 HydrophobicContact CB-CD1 4.45Å; C1336-I1340 WeakPolarHBondContact O-CA 3.36Å; C1336-I1340 VanDerWaalsContact O-CB 3.3Å; C1336-I1340 WeakPolarHBondContact O-CB 3.4Å; C1336-I1340 PolarHBondContact O-N 3.02Å; I1340-S1342 WeakPolarHBondContact CG2-O 3.46Å; I1340-M1345 HydrophobicContact CG2-CB 4.18Å; I1340-L1346 HydrophobicContact CD1-CB 4.02Å; I1340-L1346 HydrophobicContact CD1-CD1 3.66Å; I1340-L1346 HydrophobicContact CD1-CG 4.26Å; I1340-L1346 HydrophobicContact CG2-CB 3.94Å; I1340-L1349 HydrophobicContact CD1-CD1 3.87Å; I1340-L1358 HydrophobicContact CD1-CD1 4.03Å; I1340-L1358 HydrophobicContact CD1-CD2 3.91Å; I1340-L1358 HydrophobicContact CD1-CG 4.37Å; I1340-L1358 HydrophobicContact CG1-CD2 4.19Å
1341K90.9Very high90.5Very high159 Ų15951.8 Ų51.869%0.69130%0.295SS*.  trans-102.7-25.5-177.1-60.4-167.6177.5-175.30114.4S1315 M1345S1315-K1341 PolarHBondContact N-O 3.25Å; S1315-K1341 VanDerWaalsContact N-O 3.13Å; K1341-M1345 HydrophobicContact CB-SD 3.99Å
1342S91.9Very high90.5Very high38 Ų3847.1 Ų47.127%0.26628%0.28SS..BIsolated β-bridgetrans-141.9159.1178.665.60000112.6W1313 I1340 A1344 M1345 L1346W1313-S1342 CarbonylContact O-C 3.53Å; W1313-S1342 VanDerWaalsContact O-CA 3.32Å; W1313-S1342 WeakPolarHBondContact O-CA 3.35Å; I1340-S1342 WeakPolarHBondContact CG2-O 3.46Å; S1342-A1344 PolarHBondContact O-N 3.45Å; S1342-M1345 WeakPolarHBondContact O-CB 3.48Å; S1342-M1345 PolarHBondContact O-N 3.05Å; S1342-M1345 VanDerWaalsContact O-N 3.16Å; S1342-M1345 PolarHBondContact OG-N 3.34Å; S1342-L1346 PolarHBondContact O-N 3.45Å
1343G91.3Very high90.3Very high0 Ų048.2 Ų48.20%029%0.286CS..Hα-helixtrans-64.5-27.2176.800000112.9F1310 W1313 L1346 A1347F1310-G1343 WeakPolarHBondContact O-CA 3.45Å; W1313-G1343 PolarHBondContact O-N 3.08Å; G1343-L1346 PolarHBondContact O-N 2.76Å; G1343-A1347 VanDerWaalsContact O-CB 3.3Å; G1343-A1347 WeakPolarHBondContact O-CB 3.41Å; G1343-A1347 PolarHBondContact O-N 2.83Å
1344A91Very high90.1Very high44 Ų4448 Ų4836%0.36429%0.285SS..Hα-helixtrans-59.7-44.917100000111.9T1311 S1342 L1346 A1347 S1348T1311-A1344 WeakPolarHBondContact O-CB 3.39Å; T1311-A1344 PolarHBondContact O-N 3Å; S1342-A1344 PolarHBondContact O-N 3.45Å; A1344-L1346 PolarHBondContact O-N 2.9Å; A1344-A1347 PolarHBondContact O-N 3.32Å; A1344-S1348 PolarHBondContact O-N 3.47Å; A1344-S1348 VanDerWaalsContact O-N 3.09Å; A1344-S1348 PolarHBondContact O-OG 2.87Å; A1344-S1348 VanDerWaalsContact O-OG 3.08Å
1345M91.3Very high90Very high73 Ų7350.2 Ų50.236%0.3629%0.287SS..Hα-helixtrans-60.1-45.4175.4-67.9178.571.600111.5I1340 K1341 S1342 A1347 S1348 L1349I1340-M1345 HydrophobicContact CG2-CB 4.18Å; K1341-M1345 HydrophobicContact CB-SD 3.99Å; S1342-M1345 WeakPolarHBondContact O-CB 3.48Å; S1342-M1345 PolarHBondContact O-N 3.05Å; S1342-M1345 VanDerWaalsContact O-N 3.16Å; S1342-M1345 PolarHBondContact OG-N 3.34Å; M1345-A1347 VanDerWaalsContact C-N 3.32Å; M1345-A1347 PolarHBondContact O-N 2.96Å; M1345-S1348 PolarHBondContact O-N 3.34Å; M1345-S1348 PolarHBondContact O-OG 3.36Å; M1345-L1349 WeakPolarHBondContact O-CG 3.19Å; M1345-L1349 PolarHBondContact O-N 3.26Å
1346L92.4Very high89.7Confident4 Ų456.1 Ų56.12%0.02130%0.303CS..Hα-helixtrans-67-32.6179.2-178.850.9000112.8F1310 L1318 W1321 I1340 S1342 G1343 A1344 S1348 L1349 L1369 V1373F1310-L1346 HydrophobicContact CZ-CD2 4.13Å; F1310-L1346 HydrophobicContact CZ-CG 4.49Å; L1318-L1346 HydrophobicContact CD1-CD2 4.45Å; L1318-L1346 HydrophobicContact CD2-CD2 4.34Å; W1321-L1346 HydrophobicContact CZ3-CD2 3.9Å; I1340-L1346 HydrophobicContact CD1-CB 4.02Å; I1340-L1346 HydrophobicContact CD1-CD1 3.66Å; I1340-L1346 HydrophobicContact CD1-CG 4.26Å; I1340-L1346 HydrophobicContact CG2-CB 3.94Å; S1342-L1346 PolarHBondContact O-N 3.45Å; G1343-L1346 PolarHBondContact O-N 2.76Å; A1344-L1346 PolarHBondContact O-N 2.9Å; L1346-S1348 VanDerWaalsContact C-N 3.33Å; L1346-L1349 HydrophobicContact CD1-CD1 4.37Å; L1346-L1369 HydrophobicContact CD1-CD1 4.25Å; L1346-L1369 HydrophobicContact CD1-CD2 4.13Å; L1346-L1369 HydrophobicContact CD1-CG 4.34Å; L1346-V1373 HydrophobicContact CD1-CG2 4.2Å; L1346-V1373 HydrophobicContact CD2-CG2 4.2Å; L1346-V1373 HydrophobicContact CG-CG2 3.84Å
1347A91.4Very high89.2Confident37 Ų3760.2 Ų60.231%0.30632%0.322SS..Hα-helixtrans-72.2-24.7175.700000113.2F1310 G1343 A1344 M1345 V1373 L1377F1310-A1347 HydrophobicContact CE1-CB 4.48Å; G1343-A1347 VanDerWaalsContact O-CB 3.3Å; G1343-A1347 WeakPolarHBondContact O-CB 3.41Å; G1343-A1347 PolarHBondContact O-N 2.83Å; A1344-A1347 PolarHBondContact O-N 3.32Å; M1345-A1347 VanDerWaalsContact C-N 3.32Å; M1345-A1347 PolarHBondContact O-N 2.96Å; A1347-V1373 HydrophobicContact CB-CG1 4.42Å; A1347-L1377 HydrophobicContact CB-CD1 4.1Å; A1347-L1377 HydrophobicContact CB-CD2 4.3Å
1348S90.7Very high88.9Confident92 Ų9255 Ų5564%0.64330%0.298SS*.Hα-helixtrans-95-6.6-179.157.30000115.4A1344 M1345 L1346 S1350A1344-S1348 PolarHBondContact O-N 3.47Å; A1344-S1348 VanDerWaalsContact O-N 3.09Å; A1344-S1348 PolarHBondContact O-OG 2.87Å; A1344-S1348 VanDerWaalsContact O-OG 3.08Å; M1345-S1348 PolarHBondContact O-N 3.34Å; M1345-S1348 PolarHBondContact O-OG 3.36Å; L1346-S1348 VanDerWaalsContact C-N 3.33Å; S1348-S1350 PolarHBondContact O-N 2.83Å
1349L89.2Confident88.7Confident26 Ų2653.7 Ų53.714%0.13629%0.291CS..  trans-66.6126.6-179.5-62.5-171000111.6I1340 M1345 L1346 D1353 I1354 E1357 L1358I1340-L1349 HydrophobicContact CD1-CD1 3.87Å; M1345-L1349 WeakPolarHBondContact O-CG 3.19Å; M1345-L1349 PolarHBondContact O-N 3.26Å; L1346-L1349 HydrophobicContact CD1-CD1 4.37Å; L1349-D1353 HydrophobicContact CB-CB 4.18Å; L1349-D1353 HydrophobicContact CD2-CB 4.05Å; L1349-I1354 HydrophobicContact CB-CD1 4.39Å; L1349-I1354 HydrophobicContact CB-CG1 3.77Å; L1349-I1354 HydrophobicContact CD1-CG1 4.08Å; L1349-E1357 WeakPolarHBondContact CD2-OE2 3.32Å; L1349-L1358 HydrophobicContact CD1-CD1 3.87Å; L1349-L1358 HydrophobicContact CD1-CG 4.18Å
1350S87.8Confident88.8Confident38 Ų3850.1 Ų50.127%0.26627%0.272SS..  trans-68.6170168.373.10000111.4S1348 Q1352 D1353 I1354S1348-S1350 PolarHBondContact O-N 2.83Å; S1350-Q1352 PolarHBondContact O-N 3.1Å; S1350-Q1352 WeakPolarHBondContact OG-CB 3.42Å; S1350-Q1352 PolarHBondContact OG-N 3.23Å; S1350-D1353 VanDerWaalsContact CB-OD2 3.3Å; S1350-D1353 WeakPolarHBondContact CB-OD2 3.18Å; S1350-D1353 PolarHBondContact N-OD2 2.7Å; S1350-D1353 VanDerWaalsContact N-OD2 3.13Å; S1350-D1353 PolarHBondContact O-N 3.4Å; S1350-D1353 VanDerWaalsContact O-N 3.14Å; S1350-D1353 PolarHBondContact OG-N 2.77Å; S1350-D1353 VanDerWaalsContact OG-N 3.08Å; S1350-D1353 PolarHBondContact OG-OD2 3.26Å; S1350-I1354 WeakPolarHBondContact O-CG1 3.45Å; S1350-I1354 PolarHBondContact O-N 3.49Å
1351E84.1Confident88.8Confident57 Ų5758.5 Ų58.527%0.26630%0.303SS..Hα-helixtrans-62.4-34.6172.5179151.3162.500111.9D1353 Q1355 R1366 R1370E1351-D1353 VanDerWaalsContact C-N 3.32Å; E1351-D1353 PolarHBondContact O-N 3.49Å; E1351-Q1355 WeakPolarHBondContact O-CB 3.23Å; E1351-Q1355 PolarHBondContact O-N 3.29Å; E1351-R1366 VanDerWaalsContact CD-NE 3.34Å; E1351-R1366 VanDerWaalsContact CG-NE 3.29Å; E1351-R1366 IonicContact OE1-CZ 2.87Å; E1351-R1366 IonicContact OE1-NE 3.68Å; E1351-R1366 PolarHBondContact OE1-NE 3.26Å; E1351-R1366 IonicContact OE1-NH2 3.87Å; E1351-R1366 PolarHBondContact OE1-NH2 3.41Å; E1351-R1370 IonicContact OE2-CZ 3.07Å; E1351-R1370 IonicContact OE2-NE 2.66Å; E1351-R1370 PolarHBondContact OE2-NE 3Å; E1351-R1370 IonicContact OE2-NH2 2.66Å; E1351-R1370 PolarHBondContact OE2-NH2 2.86Å
1352Q87.5Confident88.9Confident61 Ų6152.5 Ų52.529%0.28528%0.278SS..Hα-helixtrans-61.2-40.2173.5-64.984.7-41.500110.9S1350 Q1355 R1356S1350-Q1352 PolarHBondContact O-N 3.1Å; S1350-Q1352 WeakPolarHBondContact OG-CB 3.42Å; S1350-Q1352 PolarHBondContact OG-N 3.23Å; Q1352-Q1355 CarbonylContact O-C 3.56Å; Q1352-Q1355 PolarHBondContact O-N 2.76Å; Q1352-R1356 WeakPolarHBondContact O-CB 3.24Å; Q1352-R1356 VanDerWaalsContact O-CG 3.26Å; Q1352-R1356 WeakPolarHBondContact O-CG 3.24Å; Q1352-R1356 PolarHBondContact O-N 3.17Å
1353D89.9Confident88.9Confident34 Ų3452.6 Ų52.618%0.18228%0.278CS..Hα-helixtrans-77.1-37.4-179-52.9-41.6000112.2L1349 S1350 E1351 Q1355 R1356 E1357L1349-D1353 HydrophobicContact CB-CB 4.18Å; L1349-D1353 HydrophobicContact CD2-CB 4.05Å; S1350-D1353 VanDerWaalsContact CB-OD2 3.3Å; S1350-D1353 WeakPolarHBondContact CB-OD2 3.18Å; S1350-D1353 PolarHBondContact N-OD2 2.7Å; S1350-D1353 VanDerWaalsContact N-OD2 3.13Å; S1350-D1353 PolarHBondContact O-N 3.4Å; S1350-D1353 VanDerWaalsContact O-N 3.14Å; S1350-D1353 PolarHBondContact OG-N 2.77Å; S1350-D1353 VanDerWaalsContact OG-N 3.08Å; S1350-D1353 PolarHBondContact OG-OD2 3.26Å; E1351-D1353 VanDerWaalsContact C-N 3.32Å; E1351-D1353 PolarHBondContact O-N 3.49Å; D1353-Q1355 PolarHBondContact O-N 3.4Å; D1353-R1356 PolarHBondContact O-N 2.89Å; D1353-R1356 IonicContact OD1-CZ 2.84Å; D1353-R1356 IonicContact OD1-NE 2.79Å; D1353-R1356 PolarHBondContact OD1-NE 3.42Å; D1353-R1356 IonicContact OD1-NH2 3.26Å; D1353-R1356 PolarHBondContact OD1-NH2 2.93Å; D1353-E1357 HydrophobicContact CB-CG 4.35Å; D1353-E1357 WeakPolarHBondContact O-CB 3.47Å; D1353-E1357 PolarHBondContact O-N 3.22Å
1354I88.7Confident89.1Confident4 Ų452.7 Ų52.72%0.02128%0.279CS..Hα-helixtrans-59.6-32.5168.9-63.2170.6000110.4L1349 S1350 L1358 I1360 R1366 L1369 R1370L1349-I1354 HydrophobicContact CB-CD1 4.39Å; L1349-I1354 HydrophobicContact CB-CG1 3.77Å; L1349-I1354 HydrophobicContact CD1-CG1 4.08Å; S1350-I1354 WeakPolarHBondContact O-CG1 3.45Å; S1350-I1354 PolarHBondContact O-N 3.49Å; I1354-L1358 HydrophobicContact CG2-CD1 4.46Å; I1354-L1358 WeakPolarHBondContact O-CB 3.48Å; I1354-I1360 HydrophobicContact CG2-CB 3.96Å; I1354-I1360 HydrophobicContact CG2-CD1 3.89Å; I1354-I1360 HydrophobicContact CG2-CG1 4.05Å; I1354-I1360 WeakPolarHBondContact O-CB 3.46Å; I1354-I1360 PolarHBondContact O-N 2.89Å; I1354-I1360 VanDerWaalsContact O-N 3.1Å; I1354-R1366 HydrophobicContact CG2-CB 4.12Å; I1354-R1366 HydrophobicContact CG2-CG 3.7Å; I1354-L1369 HydrophobicContact CD1-CD2 4.45Å; I1354-L1369 HydrophobicContact CG2-CD2 4.09Å; I1354-R1370 HydrophobicContact CD1-CG 3.76Å
1355Q88.5Confident89.3Confident96 Ų9651.2 Ų51.245%0.44926%0.264SS..Hα-helixtrans-78.4-41.4173.3-173.4169.5-67.500113.6E1351 Q1352 D1353 G1359 R1366E1351-Q1355 WeakPolarHBondContact O-CB 3.23Å; E1351-Q1355 PolarHBondContact O-N 3.29Å; Q1352-Q1355 CarbonylContact O-C 3.56Å; Q1352-Q1355 PolarHBondContact O-N 2.76Å; D1353-Q1355 PolarHBondContact O-N 3.4Å; Q1355-G1359 VanDerWaalsContact O-CA 3.31Å; Q1355-G1359 WeakPolarHBondContact O-CA 3.43Å; Q1355-G1359 PolarHBondContact O-N 3.16Å; Q1355-R1366 VanDerWaalsContact OE1-CZ 3.29Å
1356R86.1Confident89.5Confident150 Ų15048.7 Ų48.757%0.56625%0.251SS*.Hα-helixtrans-77.9-58.9-176.7-73.4-173.8-67.8-153.3-1.6112.5Q1352 D1353Q1352-R1356 WeakPolarHBondContact O-CB 3.24Å; Q1352-R1356 VanDerWaalsContact O-CG 3.26Å; Q1352-R1356 WeakPolarHBondContact O-CG 3.24Å; Q1352-R1356 PolarHBondContact O-N 3.17Å; D1353-R1356 PolarHBondContact O-N 2.89Å; D1353-R1356 IonicContact OD1-CZ 2.84Å; D1353-R1356 IonicContact OD1-NE 2.79Å; D1353-R1356 PolarHBondContact OD1-NE 3.42Å; D1353-R1356 IonicContact OD1-NH2 3.26Å; D1353-R1356 PolarHBondContact OD1-NH2 2.93Å
1357E79.8Confident89.6Confident90 Ų9049.6 Ų49.642%0.42126%0.255SS..THydrogen-bonded Turntrans-79.6-47.1-171.6-54.7-164.8146.100112.1N1339 L1349 D1353N1339-E1357 PolarHBondContact ND2-O 2.96Å; L1349-E1357 WeakPolarHBondContact CD2-OE2 3.32Å; D1353-E1357 HydrophobicContact CB-CG 4.35Å; D1353-E1357 WeakPolarHBondContact O-CB 3.47Å; D1353-E1357 PolarHBondContact O-N 3.22Å
1358L85Confident89.7Confident7 Ų747.9 Ų47.94%0.03724%0.241CC..SBendtrans-86.7-6.3179.4-63.5-179.3000113.4C1336 N1339 I1340 L1349 I1354 I1360 L1369C1336-L1358 HydrophobicContact CB-CD2 4.36Å; N1339-L1358 HydrophobicContact CB-CD2 4.45Å; I1340-L1358 HydrophobicContact CD1-CD1 4.03Å; I1340-L1358 HydrophobicContact CD1-CD2 3.91Å; I1340-L1358 HydrophobicContact CD1-CG 4.37Å; I1340-L1358 HydrophobicContact CG1-CD2 4.19Å; L1349-L1358 HydrophobicContact CD1-CD1 3.87Å; L1349-L1358 HydrophobicContact CD1-CG 4.18Å; I1354-L1358 HydrophobicContact CG2-CD1 4.46Å; I1354-L1358 WeakPolarHBondContact O-CB 3.48Å; L1358-I1360 VanDerWaalsContact C-N 3.25Å; L1358-I1360 HydrophobicContact CB-CD1 4.03Å; L1358-I1360 HydrophobicContact CB-CG1 3.69Å; L1358-I1360 HydrophobicContact CD1-CD1 4.2Å; L1358-I1360 PolarHBondContact O-N 2.84Å; L1358-L1369 HydrophobicContact CD1-CD2 3.79Å
1359G86.1Confident89.9Confident40 Ų4043.5 Ų43.541%0.41221%0.211SC..  trans67.118.6178.600000114.9Q1355 R1361Q1355-G1359 VanDerWaalsContact O-CA 3.31Å; Q1355-G1359 WeakPolarHBondContact O-CA 3.43Å; Q1355-G1359 PolarHBondContact O-N 3.16Å; G1359-R1361 PolarHBondContact O-N 3.04Å
1360I90.4Very high90.1Very high0 Ų047.4 Ų47.40%022%0.224CC..  trans-8185.5-171.7-48.2-162.4000110.8M1328 Y1332 I1354 L1358 H1365 R1366 L1369M1328-I1360 HydrophobicContact CE-CD1 4.17Å; Y1332-I1360 HydrophobicContact CD1-CD1 3.96Å; Y1332-I1360 HydrophobicContact CD1-CG1 3.83Å; Y1332-I1360 HydrophobicContact CE1-CB 4.05Å; Y1332-I1360 HydrophobicContact CE1-CD1 4.05Å; Y1332-I1360 HydrophobicContact CE1-CG1 3.56Å; Y1332-I1360 HydrophobicContact CE1-CG2 4.06Å; Y1332-I1360 HydrophobicContact CE2-CG2 4.49Å; Y1332-I1360 HydrophobicContact CG-CD1 4.36Å; I1354-I1360 HydrophobicContact CG2-CB 3.96Å; I1354-I1360 HydrophobicContact CG2-CD1 3.89Å; I1354-I1360 HydrophobicContact CG2-CG1 4.05Å; I1354-I1360 WeakPolarHBondContact O-CB 3.46Å; I1354-I1360 PolarHBondContact O-N 2.89Å; I1354-I1360 VanDerWaalsContact O-N 3.1Å; L1358-I1360 VanDerWaalsContact C-N 3.25Å; L1358-I1360 HydrophobicContact CB-CD1 4.03Å; L1358-I1360 HydrophobicContact CB-CG1 3.69Å; L1358-I1360 HydrophobicContact CD1-CD1 4.2Å; L1358-I1360 PolarHBondContact O-N 2.84Å; I1360-H1365 HydrophobicContact CG2-CB 3.4Å; I1360-H1365 VanDerWaalsContact CG2-CB 3.4Å; I1360-R1366 HydrophobicContact CB-CG 3.92Å; I1360-R1366 HydrophobicContact CG2-CG 3.61Å; I1360-R1366 VanDerWaalsContact O-CD 3.27Å; I1360-R1366 WeakPolarHBondContact O-CD 3.39Å; I1360-R1366 VanDerWaalsContact O-CG 3.29Å; I1360-R1366 WeakPolarHBondContact O-CG 3.37Å; I1360-R1366 PolarHBondContact O-NH1 3.24Å; I1360-L1369 HydrophobicContact CD1-CD2 3.97Å
1361R91.2Very high90.3Very high178 Ų17847.1 Ų47.167%0.67222%0.219SC*.  trans-73.2-32-175.9-60.5-174.3-170.7178.24.1115.2G1359 R1366G1359-R1361 PolarHBondContact O-N 3.04Å; R1361-R1366 PolarHBondContact O-NH1 2.92Å
1362N91.8Very high90.7Very high33 Ų3344.4 Ų44.418%0.17621%0.206CC..SBendtrans-74.7120.7179-177.9-5.6000109.5L1364 H1365 R1366N1362-L1364 VanDerWaalsContact C-N 3.25Å; N1362-L1364 PolarHBondContact O-N 3.29Å; N1362-L1364 PolarHBondContact OD1-N 2.82Å; N1362-L1364 VanDerWaalsContact OD1-N 3.09Å; N1362-H1365 HydrophobicContact CB-CB 4.15Å; N1362-H1365 PolarHBondContact ND2-CD2 2.74Å; N1362-H1365 VanDerWaalsContact ND2-CD2 3.32Å; N1362-H1365 PolarHBondContact ND2-NE2 3.17Å; N1362-H1365 WeakPolarHBondContact O-CB 3.27Å; N1362-H1365 PolarHBondContact O-N 3.14Å; N1362-R1366 PolarHBondContact O-N 2.81Å
1363P93.2Very high90.9Very high41 Ų4142.1 Ų42.127%0.26620%0.196SC..Hα-helixtrans-58-36.2179.523.5-34.4000112.7H1365 R1366 L1367 H1457P1363-H1365 VanDerWaalsContact C-N 3.28Å; P1363-H1365 PolarHBondContact O-N 2.89Å; P1363-R1366 WeakPolarHBondContact O-CB 3.47Å; P1363-R1366 PolarHBondContact O-N 3.26Å; P1363-R1366 VanDerWaalsContact O-N 3.11Å; P1363-L1367 WeakPolarHBondContact O-CB 3.42Å; P1363-L1367 PolarHBondContact O-N 3.13Å; P1363-H1457 WeakPolarHBondContact CG-NE2 3.35Å
1364L94.8Very high90.9Very high1 Ų147.1 Ų47.11%0.00522%0.218CC..Hα-helixtrans-66.2-29.8177.7-68.5-179.1000112.6N1362 L1367 K1368 C1439 M1445 L1449 D1453 H1457 L1458N1362-L1364 VanDerWaalsContact C-N 3.25Å; N1362-L1364 PolarHBondContact O-N 3.29Å; N1362-L1364 PolarHBondContact OD1-N 2.82Å; N1362-L1364 VanDerWaalsContact OD1-N 3.09Å; L1364-L1367 HydrophobicContact CD2-CD2 4.07Å; L1364-K1368 WeakPolarHBondContact O-CB 3.31Å; L1364-K1368 PolarHBondContact O-N 3.19Å; L1364-C1439 HydrophobicContact CB-CB 4.15Å; L1364-C1439 HydrophobicContact CD1-CB 3.66Å; L1364-M1445 HydrophobicContact CB-CE 3.91Å; L1364-M1445 HydrophobicContact CD2-CE 4.24Å; L1364-M1445 WeakPolarHBondContact O-CE 3.22Å; L1364-L1449 HydrophobicContact CD2-CD2 3.82Å; L1364-D1453 HydrophobicContact CD2-CB 4.19Å; L1364-H1457 HydrophobicContact CD1-CB 3.67Å; L1364-H1457 HydrophobicContact CG-CB 4.49Å; L1364-L1458 HydrophobicContact CD1-CD1 4.38Å; L1364-L1458 HydrophobicContact CD1-CD2 4.05Å; L1364-L1458 HydrophobicContact CD1-CG 4.1Å
1365H95.8Very high90.8Very high13 Ų1348.3 Ų48.36%0.0622%0.224CC..Hα-helixtrans-73.8-30.8174-61.8177.9000112Y1332 I1360 N1362 P1363 L1369 E1438 C1439Y1332-H1365 HydrophobicContact CE2-CB 4.07Å; Y1332-H1365 AromaticContact CE2-CG 3.96Å; Y1332-H1365 AromaticContact CE2-ND1 3.38Å; Y1332-H1365 WeakPolarHBondContact CE2-ND1 3.36Å; Y1332-H1365 AromaticContact CZ-ND1 3.56Å; Y1332-H1365 PolarHBondContact OH-ND1 3.36Å; I1360-H1365 HydrophobicContact CG2-CB 3.4Å; I1360-H1365 VanDerWaalsContact CG2-CB 3.4Å; N1362-H1365 HydrophobicContact CB-CB 4.15Å; N1362-H1365 PolarHBondContact ND2-CD2 2.74Å; N1362-H1365 VanDerWaalsContact ND2-CD2 3.32Å; N1362-H1365 PolarHBondContact ND2-NE2 3.17Å; N1362-H1365 WeakPolarHBondContact O-CB 3.27Å; N1362-H1365 PolarHBondContact O-N 3.14Å; P1363-H1365 VanDerWaalsContact C-N 3.28Å; P1363-H1365 PolarHBondContact O-N 2.89Å; H1365-L1369 PolarHBondContact O-N 2.86Å; H1365-E1438 PolarHBondContact CE1-O 3.16Å; H1365-E1438 PolarHBondContact NE2-O 3.48Å; H1365-C1439 PolarHBondContact CD2-O 3.32Å; H1365-C1439 WeakPolarHBondContact NE2-CA 3.38Å
1366R94.5Very high90.7Very high20 Ų2043.8 Ų43.88%0.07520%0.203CC..Hα-helixtrans-70.8-45.8171.6-58.9-161.8-66.3-89.46.2111.1E1351 I1354 Q1355 I1360 R1361 N1362 P1363 K1368 L1369 R1370E1351-R1366 VanDerWaalsContact CD-NE 3.34Å; E1351-R1366 VanDerWaalsContact CG-NE 3.29Å; E1351-R1366 IonicContact OE1-CZ 2.87Å; E1351-R1366 IonicContact OE1-NE 3.68Å; E1351-R1366 PolarHBondContact OE1-NE 3.26Å; E1351-R1366 IonicContact OE1-NH2 3.87Å; E1351-R1366 PolarHBondContact OE1-NH2 3.41Å; I1354-R1366 HydrophobicContact CG2-CB 4.12Å; I1354-R1366 HydrophobicContact CG2-CG 3.7Å; Q1355-R1366 VanDerWaalsContact OE1-CZ 3.29Å; I1360-R1366 HydrophobicContact CB-CG 3.92Å; I1360-R1366 HydrophobicContact CG2-CG 3.61Å; I1360-R1366 VanDerWaalsContact O-CD 3.27Å; I1360-R1366 WeakPolarHBondContact O-CD 3.39Å; I1360-R1366 VanDerWaalsContact O-CG 3.29Å; I1360-R1366 WeakPolarHBondContact O-CG 3.37Å; I1360-R1366 PolarHBondContact O-NH1 3.24Å; R1361-R1366 PolarHBondContact O-NH1 2.92Å; N1362-R1366 PolarHBondContact O-N 2.81Å; P1363-R1366 WeakPolarHBondContact O-CB 3.47Å; P1363-R1366 PolarHBondContact O-N 3.26Å; P1363-R1366 VanDerWaalsContact O-N 3.11Å; R1366-K1368 VanDerWaalsContact C-N 3.32Å; R1366-K1368 PolarHBondContact O-N 3.01Å; R1366-L1369 PolarHBondContact O-N 2.9Å; R1366-L1369 VanDerWaalsContact O-N 3.13Å; R1366-R1370 WeakPolarHBondContact O-CG 3.32Å; R1366-R1370 PolarHBondContact O-N 2.99Å
1367L94.6Very high90.8Very high23 Ų2339.4 Ų39.412%0.1219%0.19CC..Hα-helixtrans-55.4-46.7175.3-179.563.1000111.4P1363 L1364 L1369 R1370 L1371 H1448P1363-L1367 WeakPolarHBondContact O-CB 3.42Å; P1363-L1367 PolarHBondContact O-N 3.13Å; L1364-L1367 HydrophobicContact CD2-CD2 4.07Å; L1367-L1369 VanDerWaalsContact C-N 3.33Å; L1367-L1369 PolarHBondContact O-N 3.28Å; L1367-R1370 PolarHBondContact O-N 2.9Å; L1367-L1371 HydrophobicContact CD1-CD1 3.9Å; L1367-L1371 HydrophobicContact CD1-CG 3.99Å; L1367-L1371 HydrophobicContact CG-CD1 3.91Å; L1367-L1371 HydrophobicContact CG-CG 4.37Å; L1367-L1371 WeakPolarHBondContact O-CB 3.43Å; L1367-L1371 WeakPolarHBondContact O-CG 3.36Å; L1367-L1371 PolarHBondContact O-N 2.91Å; L1367-H1448 HydrophobicContact CD1-CB 4.43Å; L1367-H1448 HydrophobicContact CD2-CB 4.21Å
1368K94.6Very high91Very high1 Ų138 Ų380%0.00419%0.194CC..Hα-helixtrans-51.1-50.5173.8-172.1-179.3-175.864.60112.6V1326 M1328 L1364 R1366 A1372 L1440 D1442 M1445V1326-K1368 HydrophobicContact CG1-CG 4.39Å; V1326-K1368 WeakPolarHBondContact O-CE 3.42Å; V1326-K1368 PolarHBondContact O-NZ 3.36Å; M1328-K1368 HydrophobicContact SD-CD 3.9Å; L1364-K1368 WeakPolarHBondContact O-CB 3.31Å; L1364-K1368 PolarHBondContact O-N 3.19Å; R1366-K1368 VanDerWaalsContact C-N 3.32Å; R1366-K1368 PolarHBondContact O-N 3.01Å; K1368-A1372 WeakPolarHBondContact O-CB 3.39Å; K1368-A1372 PolarHBondContact O-N 3.46Å; K1368-A1372 VanDerWaalsContact O-N 3.1Å; K1368-L1440 HydrophobicContact CD-CB 3.67Å; K1368-L1440 HydrophobicContact CD-CD1 4.4Å; K1368-L1440 WeakPolarHBondContact CD-O 3.46Å; K1368-L1440 WeakPolarHBondContact CE-O 3.46Å; K1368-L1440 PolarHBondContact NZ-O 2.85Å; K1368-D1442 IonicContact NZ-OD2 3.78Å; K1368-D1442 PolarHBondContact NZ-OD2 3.32Å; K1368-M1445 HydrophobicContact CB-CE 4.24Å; K1368-M1445 HydrophobicContact CB-CG 4.45Å; K1368-M1445 HydrophobicContact CB-SD 3.5Å; K1368-M1445 WeakPolarHBondContact CB-SD 3.48Å; K1368-M1445 HydrophobicContact CD-SD 4.29Å; K1368-M1445 HydrophobicContact CG-SD 3.74Å
1369L94.1Very high91Very high1 Ų138.5 Ų38.51%0.00520%0.196CC..Hα-helixtrans-67.9-46-178.4-175.259.6000111.3L1322 M1328 L1346 I1354 L1358 I1360 H1365 R1366 L1367 L1371 A1372 V1373L1322-L1369 HydrophobicContact CD2-CD1 3.68Å; M1328-L1369 HydrophobicContact CE-CB 4.43Å; L1346-L1369 HydrophobicContact CD1-CD1 4.25Å; L1346-L1369 HydrophobicContact CD1-CD2 4.13Å; L1346-L1369 HydrophobicContact CD1-CG 4.34Å; I1354-L1369 HydrophobicContact CD1-CD2 4.45Å; I1354-L1369 HydrophobicContact CG2-CD2 4.09Å; L1358-L1369 HydrophobicContact CD1-CD2 3.79Å; I1360-L1369 HydrophobicContact CD1-CD2 3.97Å; H1365-L1369 PolarHBondContact O-N 2.86Å; R1366-L1369 PolarHBondContact O-N 2.9Å; R1366-L1369 VanDerWaalsContact O-N 3.13Å; L1367-L1369 VanDerWaalsContact C-N 3.33Å; L1367-L1369 PolarHBondContact O-N 3.28Å; L1369-L1371 PolarHBondContact O-N 2.83Å; L1369-A1372 PolarHBondContact O-N 2.85Å; L1369-V1373 HydrophobicContact CD1-CG2 4.24Å; L1369-V1373 WeakPolarHBondContact O-CB 3.27Å; L1369-V1373 VanDerWaalsContact O-CG2 3.3Å; L1369-V1373 WeakPolarHBondContact O-CG2 3.46Å; L1369-V1373 PolarHBondContact O-N 3.49Å
1370R93.2Very high90.9Very high108 Ų10836.8 Ų36.841%0.40818%0.177SC..Hα-helixtrans-59.1-45.7178.1-69.6-160.6-73.1105.3-9.6112E1351 I1354 R1366 L1367 V1373 H1374E1351-R1370 IonicContact OE2-CZ 3.07Å; E1351-R1370 IonicContact OE2-NE 2.66Å; E1351-R1370 PolarHBondContact OE2-NE 3Å; E1351-R1370 IonicContact OE2-NH2 2.66Å; E1351-R1370 PolarHBondContact OE2-NH2 2.86Å; I1354-R1370 HydrophobicContact CD1-CG 3.76Å; R1366-R1370 WeakPolarHBondContact O-CG 3.32Å; R1366-R1370 PolarHBondContact O-N 2.99Å; L1367-R1370 PolarHBondContact O-N 2.9Å; R1370-V1373 PolarHBondContact O-N 2.85Å; R1370-H1374 WeakPolarHBondContact O-CB 3.32Å; R1370-H1374 PolarHBondContact O-N 3.26Å
1371L92.3Very high90.4Very high31 Ų3139.4 Ų39.416%0.16220%0.199CC..Hα-helixtrans-65.2-44177.9-68.5174.9000112.1L1367 L1369 V1373 H1374 E1375 M1445 H1448L1367-L1371 HydrophobicContact CD1-CD1 3.9Å; L1367-L1371 HydrophobicContact CD1-CG 3.99Å; L1367-L1371 HydrophobicContact CG-CD1 3.91Å; L1367-L1371 HydrophobicContact CG-CG 4.37Å; L1367-L1371 WeakPolarHBondContact O-CB 3.43Å; L1367-L1371 WeakPolarHBondContact O-CG 3.36Å; L1367-L1371 PolarHBondContact O-N 2.91Å; L1369-L1371 PolarHBondContact O-N 2.83Å; L1371-V1373 PolarHBondContact O-N 2.77Å; L1371-H1374 PolarHBondContact O-N 2.81Å; L1371-E1375 WeakPolarHBondContact O-CB 3.47Å; L1371-E1375 PolarHBondContact O-N 2.91Å; L1371-M1445 HydrophobicContact CD1-CB 4.5Å; L1371-M1445 HydrophobicContact CD1-CG 4.06Å; L1371-H1448 HydrophobicContact CD1-CB 4.38Å
1372A92Very high89.5Confident0 Ų034.7 Ų34.70%019%0.194CC..Hα-helixtrans-65.3-38.1178.300000112.7W1321 V1326 K1368 L1369 M1376W1321-A1372 HydrophobicContact CH2-CB 4.08Å; W1321-A1372 HydrophobicContact CZ2-CB 3.89Å; W1321-A1372 WeakPolarHBondContact CZ2-O 3.25Å; V1326-A1372 HydrophobicContact CG1-CB 3.92Å; V1326-A1372 HydrophobicContact CG2-CB 3.97Å; K1368-A1372 WeakPolarHBondContact O-CB 3.39Å; K1368-A1372 PolarHBondContact O-N 3.46Å; K1368-A1372 VanDerWaalsContact O-N 3.1Å; L1369-A1372 PolarHBondContact O-N 2.85Å; A1372-M1376 WeakPolarHBondContact O-CB 3.37Å; A1372-M1376 PolarHBondContact O-N 2.85Å
1373V92Very high88.5Confident13 Ų1334.7 Ų34.78%0.07919%0.193CC..Hα-helixtrans-65.3-46.6174.4167.70000111F1310 W1321 L1346 A1347 L1369 R1370 L1371 M1376 L1377F1310-V1373 HydrophobicContact CE1-CG1 4.03Å; F1310-V1373 HydrophobicContact CE1-CG2 4.45Å; F1310-V1373 HydrophobicContact CZ-CG2 4.32Å; W1321-V1373 HydrophobicContact CH2-CG2 3.83Å; W1321-V1373 HydrophobicContact CZ3-CG2 4.27Å; L1346-V1373 HydrophobicContact CD1-CG2 4.2Å; L1346-V1373 HydrophobicContact CD2-CG2 4.2Å; L1346-V1373 HydrophobicContact CG-CG2 3.84Å; A1347-V1373 HydrophobicContact CB-CG1 4.42Å; L1369-V1373 HydrophobicContact CD1-CG2 4.24Å; L1369-V1373 WeakPolarHBondContact O-CB 3.27Å; L1369-V1373 VanDerWaalsContact O-CG2 3.3Å; L1369-V1373 WeakPolarHBondContact O-CG2 3.46Å; L1369-V1373 PolarHBondContact O-N 3.49Å; R1370-V1373 PolarHBondContact O-N 2.85Å; L1371-V1373 PolarHBondContact O-N 2.77Å; V1373-M1376 PolarHBondContact O-N 3.38Å; V1373-L1377 HydrophobicContact CG1-CD1 3.89Å; V1373-L1377 WeakPolarHBondContact O-CG 3.46Å; V1373-L1377 PolarHBondContact O-N 3.4Å
1374H89.9Confident87.1Confident139 Ų13936.4 Ų36.464%0.64420%0.203SC*.Hα-helixtrans-61-46.2178.6-173.2104.1000112R1370 L1371 M1376 L1377 A1378R1370-H1374 WeakPolarHBondContact O-CB 3.32Å; R1370-H1374 PolarHBondContact O-N 3.26Å; L1371-H1374 PolarHBondContact O-N 2.81Å; H1374-M1376 PolarHBondContact O-N 2.77Å; H1374-L1377 PolarHBondContact O-N 3.24Å; H1374-A1378 PolarHBondContact O-N 2.91Å
1375E86.4Confident85.1Confident30 Ų3039.3 Ų39.314%0.1423%0.234CC..Hα-helixtrans-60-43.1175.7179.6-176-125.800112.1L1371 A1378 F1379 L1409 I1410 R1444L1371-E1375 WeakPolarHBondContact O-CB 3.47Å; L1371-E1375 PolarHBondContact O-N 2.91Å; E1375-A1378 PolarHBondContact O-N 2.64Å; E1375-F1379 WeakPolarHBondContact O-CB 3.41Å; E1375-F1379 PolarHBondContact O-N 2.87Å; E1375-L1409 WeakPolarHBondContact OE1-CB 3.49Å; E1375-I1410 HydrophobicContact CG-CG1 3.72Å; E1375-I1410 PolarHBondContact OE1-N 3.34Å; E1375-R1444 WeakPolarHBondContact OE2-CD 3.46Å; E1375-R1444 IonicContact OE2-CZ 3.02Å; E1375-R1444 IonicContact OE2-NE 3.95Å; E1375-R1444 IonicContact OE2-NH1 3.74Å; E1375-R1444 PolarHBondContact OE2-NH1 3.26Å
1376M87.9Confident82.6Confident1 Ų143.6 Ų43.61%0.00526%0.261CS..Hα-helixtrans-71.1-32.9-179.9-171.253.86900112.9F1310 W1313 W1321 W1325 A1372 V1373 H1374 F1379 T1380 I1410F1310-M1376 HydrophobicContact CB-CG 4.1Å; F1310-M1376 HydrophobicContact CD2-CB 4.07Å; F1310-M1376 HydrophobicContact CD2-CG 3.23Å; F1310-M1376 HydrophobicContact CE2-CB 4.3Å; F1310-M1376 HydrophobicContact CE2-CG 3.75Å; F1310-M1376 HydrophobicContact CG-CB 4.39Å; F1310-M1376 HydrophobicContact CG-CG 3.8Å; W1313-M1376 HydrophobicContact CH2-CE 4.01Å; W1313-M1376 HydrophobicContact CH2-CG 4.14Å; W1313-M1376 HydrophobicContact CH2-SD 3.58Å; W1313-M1376 VanDerWaalsContact CH2-SD 3.58Å; W1313-M1376 HydrophobicContact CZ2-SD 4.02Å; W1313-M1376 HydrophobicContact CZ3-CG 4.36Å; W1313-M1376 HydrophobicContact CZ3-SD 4.31Å; W1321-M1376 HydrophobicContact CZ2-CB 3.99Å; W1321-M1376 HydrophobicContact CZ2-CG 4.4Å; W1321-M1376 VanDerWaalsContact NE1-CE 3.31Å; W1325-M1376 HydrophobicContact CE3-CE 3.74Å; W1325-M1376 HydrophobicContact CZ3-CE 3.82Å; A1372-M1376 WeakPolarHBondContact O-CB 3.37Å; A1372-M1376 PolarHBondContact O-N 2.85Å; V1373-M1376 PolarHBondContact O-N 3.38Å; H1374-M1376 PolarHBondContact O-N 2.77Å; M1376-F1379 HydrophobicContact SD-CD1 3.81Å; M1376-T1380 HydrophobicContact CG-CG2 4.38Å; M1376-T1380 WeakPolarHBondContact O-CB 3.35Å; M1376-T1380 WeakPolarHBondContact O-CG2 3.24Å; M1376-T1380 PolarHBondContact O-N 2.77Å; M1376-T1380 PolarHBondContact O-OG1 3.35Å; M1376-T1380 HydrophobicContact SD-CG2 3.78Å; M1376-I1410 HydrophobicContact CE-CG2 3.92Å
1377L87.8Confident79.8Confident58 Ų5848.7 Ų48.730%0.30429%0.294SS..Hα-helixtrans-62.6-50.1170-75.7163.8000110.9F1310 T1311 A1347 V1373 H1374 T1380 A1381F1310-L1377 HydrophobicContact CB-CD2 4.25Å; F1310-L1377 HydrophobicContact CD1-CD2 3.88Å; F1310-L1377 HydrophobicContact CD1-CG 4Å; T1311-L1377 HydrophobicContact CG2-CD2 4.09Å; A1347-L1377 HydrophobicContact CB-CD1 4.1Å; A1347-L1377 HydrophobicContact CB-CD2 4.3Å; V1373-L1377 HydrophobicContact CG1-CD1 3.89Å; V1373-L1377 WeakPolarHBondContact O-CG 3.46Å; V1373-L1377 PolarHBondContact O-N 3.4Å; H1374-L1377 PolarHBondContact O-N 3.24Å; L1377-T1380 PolarHBondContact O-N 2.69Å; L1377-T1380 PolarHBondContact O-OG1 2.83Å; L1377-A1381 VanDerWaalsContact O-CB 3.27Å; L1377-A1381 WeakPolarHBondContact O-CB 3.36Å; L1377-A1381 PolarHBondContact O-N 3.14Å
1378A83.2Confident76.9Confident61 Ų6153.7 Ų53.750%0.50433%0.328SS..Hα-helixtrans-61.5-45.3178.100000112.3H1374 E1375 A1381 S1382H1374-A1378 PolarHBondContact O-N 2.91Å; E1375-A1378 PolarHBondContact O-N 2.64Å; A1378-A1381 PolarHBondContact O-N 3.33Å; A1378-S1382 PolarHBondContact O-N 2.82Å; A1378-S1382 VanDerWaalsContact O-N 3.12Å
1379F85Confident73.9Confident17 Ų1759.9 Ų59.98%0.07536%0.361CS..Hα-helixtrans-61.3-52176.8173-117.7000112I1304 E1375 M1376 A1381 S1382 L1383 A1406 I1410I1304-F1379 HydrophobicContact CD1-CE1 4.13Å; I1304-F1379 HydrophobicContact CG1-CE1 4.38Å; I1304-F1379 HydrophobicContact CG2-CE1 4.39Å; I1304-F1379 HydrophobicContact CG2-CZ 4.35Å; E1375-F1379 WeakPolarHBondContact O-CB 3.41Å; E1375-F1379 PolarHBondContact O-N 2.87Å; M1376-F1379 HydrophobicContact SD-CD1 3.81Å; F1379-A1381 VanDerWaalsContact C-N 3.32Å; F1379-A1381 PolarHBondContact O-N 3.12Å; F1379-S1382 WeakPolarHBondContact O-CB 3.4Å; F1379-S1382 PolarHBondContact O-N 2.76Å; F1379-S1382 VanDerWaalsContact O-N 3.1Å; F1379-S1382 PolarHBondContact O-OG 2.85Å; F1379-L1383 HydrophobicContact CE1-CD1 3.93Å; F1379-L1383 HydrophobicContact CE2-CD1 4.44Å; F1379-L1383 HydrophobicContact CE2-CD2 4.19Å; F1379-L1383 HydrophobicContact CE2-CG 4.36Å; F1379-L1383 HydrophobicContact CZ-CD1 3.89Å; F1379-L1383 HydrophobicContact CZ-CD2 4.23Å; F1379-L1383 HydrophobicContact CZ-CG 4.29Å; F1379-L1383 PolarHBondContact O-N 3.13Å; F1379-A1406 HydrophobicContact CD2-CB 4.28Å; F1379-A1406 HydrophobicContact CE2-CB 3.75Å; F1379-A1406 HydrophobicContact CZ-CB 4.49Å; F1379-I1410 HydrophobicContact CB-CD1 3.89Å; F1379-I1410 HydrophobicContact CD1-CG2 4.03Å; F1379-I1410 HydrophobicContact CD2-CD1 3.69Å; F1379-I1410 HydrophobicContact CE1-CG2 4.35Å; F1379-I1410 HydrophobicContact CE2-CD1 4.39Å; F1379-I1410 HydrophobicContact CG-CD1 3.78Å; F1379-I1410 HydrophobicContact CG-CG2 4.3Å
1380T85Confident70.9Confident3 Ų365 Ų652%0.01840%0.397CS..Hα-helixtrans-69.7-28.3-178.157.60000113F1310 W1313 M1376 L1377 L1383F1310-T1380 HydrophobicContact CB-CG2 4.2Å; F1310-T1380 WeakPolarHBondContact CB-OG1 3.34Å; F1310-T1380 PolarHBondContact N-OG1 3.37Å; W1313-T1380 HydrophobicContact CZ2-CG2 3.97Å; M1376-T1380 HydrophobicContact CG-CG2 4.38Å; M1376-T1380 WeakPolarHBondContact O-CB 3.35Å; M1376-T1380 WeakPolarHBondContact O-CG2 3.24Å; M1376-T1380 PolarHBondContact O-N 2.77Å; M1376-T1380 PolarHBondContact O-OG1 3.35Å; M1376-T1380 HydrophobicContact SD-CG2 3.78Å; L1377-T1380 PolarHBondContact O-N 2.69Å; L1377-T1380 PolarHBondContact O-OG1 2.83Å; T1380-L1383 PolarHBondContact O-N 3.22Å
1381A79.8Confident68Low56 Ų5666.3 Ų66.346%0.46342%0.417SS..Hα-helixtrans-60.6-44.7168.100000111.3L1377 A1378 F1379 L1383 T1384L1377-A1381 VanDerWaalsContact O-CB 3.27Å; L1377-A1381 WeakPolarHBondContact O-CB 3.36Å; L1377-A1381 PolarHBondContact O-N 3.14Å; A1378-A1381 PolarHBondContact O-N 3.33Å; F1379-A1381 VanDerWaalsContact C-N 3.32Å; F1379-A1381 PolarHBondContact O-N 3.12Å; A1381-L1383 PolarHBondContact O-N 2.86Å; A1381-T1384 PolarHBondContact O-N 2.77Å; A1381-T1384 PolarHBondContact O-OG1 2.97Å
1382S70.8Confident65.2Low79 Ų7973.4 Ų73.455%0.55245%0.447SS*.Hα-helixtrans-60.1-30.3178.379.70000113.7A1378 F1379 T1384A1378-S1382 PolarHBondContact O-N 2.82Å; A1378-S1382 VanDerWaalsContact O-N 3.12Å; F1379-S1382 WeakPolarHBondContact O-CB 3.4Å; F1379-S1382 PolarHBondContact O-N 2.76Å; F1379-S1382 VanDerWaalsContact O-N 3.1Å; F1379-S1382 PolarHBondContact O-OG 2.85Å; S1382-T1384 VanDerWaalsContact C-N 3.34Å; S1382-T1384 PolarHBondContact O-N 3.42Å
1383L71.7Confident62.4Low32 Ų3281.3 Ų81.317%0.16849%0.489CS..Hα-helixtrans-72-23.6176.4-61.7178000113.7I1304 N1307 F1379 T1380 A1381I1304-L1383 HydrophobicContact CG2-CD1 4.1Å; N1307-L1383 HydrophobicContact CB-CB 4.32Å; F1379-L1383 HydrophobicContact CE1-CD1 3.93Å; F1379-L1383 HydrophobicContact CE2-CD1 4.44Å; F1379-L1383 HydrophobicContact CE2-CD2 4.19Å; F1379-L1383 HydrophobicContact CE2-CG 4.36Å; F1379-L1383 HydrophobicContact CZ-CD1 3.89Å; F1379-L1383 HydrophobicContact CZ-CD2 4.23Å; F1379-L1383 HydrophobicContact CZ-CG 4.29Å; F1379-L1383 PolarHBondContact O-N 3.13Å; T1380-L1383 PolarHBondContact O-N 3.22Å; A1381-L1383 PolarHBondContact O-N 2.86Å
1384T63.9Low59.4Low77 Ų7784.2 Ų84.247%0.47252%0.522SS..Hα-helixtrans-91-9.3-176.459.80000113.8P1309 A1381 S1382 T1386P1309-T1384 HydrophobicContact CB-CG2 4.47Å; A1381-T1384 PolarHBondContact O-N 2.77Å; A1381-T1384 PolarHBondContact O-OG1 2.97Å; S1382-T1384 VanDerWaalsContact C-N 3.34Å; S1382-T1384 PolarHBondContact O-N 3.42Å; T1384-T1386 VanDerWaalsContact C-N 3.3Å; T1384-T1386 PolarHBondContact O-N 3.12Å
1385G52.5Low56.5Low63 Ų6387 Ų8765%0.64954%0.535SS*.  trans-71.8-7-173.400000117T1387G1385-T1387 PolarHBondContact O-N 2.98Å
1386T43.8Very low53.9Low102 Ų10292.2 Ų92.263%0.62657%0.569SS**  trans-92.893.4-173.757.70000112.9T1384 P1388T1384-T1386 VanDerWaalsContact C-N 3.3Å; T1384-T1386 PolarHBondContact O-N 3.12Å; T1386-P1388 WeakPolarHBondContact O-CD 3.42Å
1387T35.6Very low51.2Low127 Ų12797.4 Ų97.478%0.77961%0.606SS**  trans-68.8123.4171.853.40000111.6G1385 N1389G1385-T1387 PolarHBondContact O-N 2.98Å; T1387-N1389 PolarHBondContact O-N 2.9Å
1388P33.1Very low48.4Very low128 Ų128100.8 Ų100.883%0.83163%0.629SS**  trans-79.7119.6178.331.3-32.6000110.7T1386T1386-P1388 WeakPolarHBondContact O-CD 3.42Å
1389N32.5Very low45.8Very low132 Ų132101.9 Ų101.971%0.70663%0.633SS**  trans-129.3130.4172.9-130.75.6000111.1T1387 Q1630T1387-N1389 PolarHBondContact O-N 2.9Å; N1389-Q1630 PolarHBondContact ND2-NE2 3.15Å; N1389-Q1630 VanDerWaalsContact ND2-NE2 3.2Å
1390S29.8Very low43.2Very low107 Ų107108.5 Ų108.575%0.74867%0.666SS**  trans-99.1116-161.7-179.70000113.1
1391T33.9Very low40.7Very low136 Ų136117.1 Ų117.183%0.83470%0.703SS**  trans-150.185158-430000112.8
1392K33.9Very low38.5Very low180 Ų180122.9 Ų122.978%0.78372%0.72SS**  trans26.1105.4146.9-57.5177.7-178177.90118.6
1393N31.2Very low36.7Very low166 Ų166123.5 Ų123.589%0.88872%0.717SS**  156.6152118.7-78.1-17.1000112.4
1394G30.1Very low35Very low75 Ų75130.3 Ų130.377%0.77375%0.748SS**  trans91.976.1149.900000118.2T1396G1394-T1396 PolarHBondContact O-N 3.26Å
1395E28.1Very low33.7Very low196 Ų196134.4 Ų134.492%0.91677%0.766SS**  trans-21.6107.8160.9-59171.4161.900117.6
1396T32.9Very low33.2Very low141 Ų141132.8 Ų132.887%0.86575%0.746SS**  trans-130.6135136.445.60000109.3G1394G1394-T1396 PolarHBondContact O-N 3.26Å
1397S29.8Very low33.8Very low109 Ų109130.8 Ų130.876%0.76274%0.737SS**  trans-85.5133.9-166.3-161.40000113
1398T30.8Very low35Very low129 Ų129126.5 Ų126.579%0.79171%0.711SS**  23.3111.1129.4-36.40000117
1399S28.7Very low36.6Very low84 Ų84121.7 Ų121.759%0.58768%0.678SS**  177.2115.4127.2-175.20000112K1401S1399-K1401 PolarHBondContact O-N 3.42Å
1400M29.6Very low38.2Very low156 Ų156115.7 Ų115.777%0.76865%0.646SS**SBendtrans55.3-12.9143.3-131.7170.2-66.800121.6Q1402 L1403M1400-Q1402 VanDerWaalsContact C-N 3.33Å; M1400-Q1402 PolarHBondContact O-N 2.85Å; M1400-L1403 HydrophobicContact CG-CD1 4.22Å; M1400-L1403 PolarHBondContact O-N 3.31Å
1401K33Very low40Very low185 Ų185116 Ų11680%0.80463%0.634SS**G310 helixtrans-75.4-13.3-172.6-73.4-172.1174.5-173.60115.3S1399 L1403S1399-K1401 PolarHBondContact O-N 3.42Å; K1401-L1403 PolarHBondContact O-N 2.87Å
1402Q32.4Very low41.7Very low176 Ų176110 Ų11082%0.82260%0.6SS**G310 helixtrans-81.2-1.8178.5-157.1157.1-2.600113.3M1400 H1404M1400-Q1402 VanDerWaalsContact C-N 3.33Å; M1400-Q1402 PolarHBondContact O-N 2.85Å; Q1402-H1404 PolarHBondContact O-N 3.04Å
1403L34.4Very low43.7Very low92 Ų92104.8 Ų104.848%0.48258%0.578SS.*G310 helixtrans-77.51.7169.7-81.7165.4000114M1400 K1401 L1405 A1406M1400-L1403 HydrophobicContact CG-CD1 4.22Å; M1400-L1403 PolarHBondContact O-N 3.31Å; K1401-L1403 PolarHBondContact O-N 2.87Å; L1403-L1405 PolarHBondContact O-N 3.46Å; L1403-A1406 HydrophobicContact CD2-CB 4.48Å; L1403-A1406 WeakPolarHBondContact O-CB 3.32Å; L1403-A1406 PolarHBondContact O-N 3.44Å
1404H35.3Very low46.3Very low175 Ų17597.1 Ų97.181%0.8154%0.537SS*.G310 helixtrans-71.52.2-177.1-136.5-68.8000115Q1402Q1402-H1404 PolarHBondContact O-N 3.04Å
1405L36.1Very low49.1Very low163 Ų16395 Ų9585%0.85351%0.508SS*.G310 helixtrans-104.22.6169-98.469.4000113.2L1403 S1407L1403-L1405 PolarHBondContact O-N 3.46Å; L1405-S1407 PolarHBondContact O-N 2.93Å
1406A43.5Very low52.2Low29 Ų2986.7 Ų86.724%0.2447%0.469CS..SBendtrans-81.7103.2169.700000109.3F1379 L1403 I1410F1379-A1406 HydrophobicContact CD2-CB 4.28Å; F1379-A1406 HydrophobicContact CE2-CB 3.75Å; F1379-A1406 HydrophobicContact CZ-CB 4.49Å; L1403-A1406 HydrophobicContact CD2-CB 4.48Å; L1403-A1406 WeakPolarHBondContact O-CB 3.32Å; L1403-A1406 PolarHBondContact O-N 3.44Å; A1406-I1410 HydrophobicContact CB-CD1 4.05Å
1407S55.6Low55Low61 Ų6184.8 Ų84.843%0.42745%0.45SS..  trans-44.7132.7174.6-53.40000111.6L1405 L1409 I1410L1405-S1407 PolarHBondContact O-N 2.93Å; S1407-L1409 PolarHBondContact O-N 3.04Å; S1407-I1410 WeakPolarHBondContact O-CB 3.24Å; S1407-I1410 WeakPolarHBondContact O-CG1 3.36Å; S1407-I1410 PolarHBondContact O-N 3.47Å
1408P60.9Low58Low36 Ų3680 Ų8023%0.23442%0.415CS..G310 helixtrans-54.4-28.4-177.1-27.934.9000114.1I1410 Y1481 D1482P1408-I1410 VanDerWaalsContact C-N 3.31Å; P1408-I1410 PolarHBondContact O-N 3.48Å; P1408-Y1481 WeakPolarHBondContact CB-O 3.4Å; P1408-D1482 HydrophobicContact CG-CB 4.42Å
1409L66.9Low61Low27 Ų2773.8 Ų73.814%0.14138%0.378CS..G310 helixtrans-56.3-34.9176.1-61.7169.8000114E1375 S1407 K1411 G1412 L1414 A1443 R1444 Y1481E1375-L1409 WeakPolarHBondContact OE1-CB 3.49Å; S1407-L1409 PolarHBondContact O-N 3.04Å; L1409-K1411 VanDerWaalsContact C-N 3.34Å; L1409-K1411 PolarHBondContact O-N 3.29Å; L1409-G1412 PolarHBondContact O-N 3.18Å; L1409-G1412 VanDerWaalsContact O-N 3.09Å; L1409-L1414 HydrophobicContact CD2-CD1 4.05Å; L1409-A1443 HydrophobicContact CD2-CB 3.54Å; L1409-R1444 HydrophobicContact CB-CG 3.82Å; L1409-R1444 HydrophobicContact CD1-CG 4.11Å; L1409-R1444 HydrophobicContact CD2-CG 3.97Å; L1409-R1444 HydrophobicContact CG-CG 4.17Å; L1409-R1444 PolarHBondContact O-NH1 2.9Å; L1409-Y1481 HydrophobicContact CD1-CD2 4.34Å; L1409-Y1481 HydrophobicContact CD1-CG 4.22Å; L1409-Y1481 HydrophobicContact CD2-CD1 4.01Å; L1409-Y1481 HydrophobicContact CD2-CG 4.13Å; L1409-Y1481 HydrophobicContact CG-CG 4.4Å
1410I65.7Low64.1Low7 Ų769.8 Ų69.84%0.03635%0.35CS..G310 helixtrans-57.6-43-174.3-66.9163.2000112.3W1325 E1375 M1376 F1379 A1406 S1407 P1408 G1412W1325-I1410 HydrophobicContact CE3-CG2 4.23Å; W1325-I1410 VanDerWaalsContact CE3-O 3.26Å; W1325-I1410 HydrophobicContact CZ3-CG2 3.82Å; E1375-I1410 HydrophobicContact CG-CG1 3.72Å; E1375-I1410 PolarHBondContact OE1-N 3.34Å; M1376-I1410 HydrophobicContact CE-CG2 3.92Å; F1379-I1410 HydrophobicContact CB-CD1 3.89Å; F1379-I1410 HydrophobicContact CD1-CG2 4.03Å; F1379-I1410 HydrophobicContact CD2-CD1 3.69Å; F1379-I1410 HydrophobicContact CE1-CG2 4.35Å; F1379-I1410 HydrophobicContact CE2-CD1 4.39Å; F1379-I1410 HydrophobicContact CG-CD1 3.78Å; F1379-I1410 HydrophobicContact CG-CG2 4.3Å; A1406-I1410 HydrophobicContact CB-CD1 4.05Å; S1407-I1410 WeakPolarHBondContact O-CB 3.24Å; S1407-I1410 WeakPolarHBondContact O-CG1 3.36Å; S1407-I1410 PolarHBondContact O-N 3.47Å; P1408-I1410 VanDerWaalsContact C-N 3.31Å; P1408-I1410 PolarHBondContact O-N 3.48Å; I1410-G1412 VanDerWaalsContact C-N 3.27Å; I1410-G1412 PolarHBondContact O-N 3.34Å
1411K67.2Low67.2Low112 Ų11265.4 Ų65.449%0.48733%0.329SS..G310 helixtrans-78.3-8.4-176.5-66.5171.1-178.4165.90113.7W1325 L1409 E1413W1325-K1411 HydrophobicContact CH2-CG 4.42Å; L1409-K1411 VanDerWaalsContact C-N 3.34Å; L1409-K1411 PolarHBondContact O-N 3.29Å; K1411-E1413 HydrophobicContact CB-CG 4.04Å; K1411-E1413 HydrophobicContact CD-CG 4.47Å; K1411-E1413 WeakPolarHBondContact CD-OE1 3.48Å; K1411-E1413 IonicContact NZ-OE1 2.64Å; K1411-E1413 PolarHBondContact NZ-OE1 2.83Å
1412G69.4Low70.1Confident12 Ų1259 Ų5912%0.12431%0.306CS..THydrogen-bonded Turntrans75.917.9-175.500000115.1W1325 L1409 I1410 L1414 N1415W1325-G1412 VanDerWaalsContact O-CA 3.23Å; W1325-G1412 WeakPolarHBondContact O-CA 3.31Å; L1409-G1412 PolarHBondContact O-N 3.18Å; L1409-G1412 VanDerWaalsContact O-N 3.09Å; I1410-G1412 VanDerWaalsContact C-N 3.27Å; I1410-G1412 PolarHBondContact O-N 3.34Å; G1412-L1414 PolarHBondContact O-N 3.15Å; G1412-N1415 WeakPolarHBondContact O-CB 3.32Å; G1412-N1415 PolarHBondContact O-N 3.35Å; G1412-N1415 VanDerWaalsContact O-N 3.15Å
1413E76.2Confident73.1Confident69 Ų6950.8 Ų50.832%0.32227%0.267SS..THydrogen-bonded Turntrans-62.6-24-179.5-66.2178.8-162.400112.7K1411 R1483K1411-E1413 HydrophobicContact CB-CG 4.04Å; K1411-E1413 HydrophobicContact CD-CG 4.47Å; K1411-E1413 WeakPolarHBondContact CD-OE1 3.48Å; K1411-E1413 IonicContact NZ-OE1 2.64Å; K1411-E1413 PolarHBondContact NZ-OE1 2.83Å; E1413-R1483 WeakPolarHBondContact O-CD 3.2Å; E1413-R1483 PolarHBondContact O-NH1 3.41Å; E1413-R1483 VanDerWaalsContact O-NH1 3.13Å
1414L85.6Confident76Confident5 Ų546.4 Ų46.43%0.02624%0.244CC..THydrogen-bonded Turntrans-107.147.7173-61.2-176.9000112.6L1409 G1412 W1418 A1443 Y1481 R1483L1409-L1414 HydrophobicContact CD2-CD1 4.05Å; G1412-L1414 PolarHBondContact O-N 3.15Å; L1414-W1418 HydrophobicContact CB-CE3 4.4Å; L1414-W1418 HydrophobicContact CD2-CD2 3.68Å; L1414-W1418 HydrophobicContact CD2-CE3 3.54Å; L1414-W1418 HydrophobicContact CD2-CG 4.46Å; L1414-W1418 HydrophobicContact CD2-CH2 3.64Å; L1414-W1418 HydrophobicContact CD2-CZ2 3.77Å; L1414-W1418 HydrophobicContact CD2-CZ3 3.54Å; L1414-A1443 HydrophobicContact CB-CB 3.56Å; L1414-A1443 HydrophobicContact CD1-CB 3.77Å; L1414-A1443 HydrophobicContact CG-CB 4.34Å; L1414-A1443 PolarHBondContact O-N 3.44Å; L1414-Y1481 HydrophobicContact CD1-CD1 4.31Å; L1414-Y1481 WeakPolarHBondContact CD1-O 3.5Å; L1414-R1483 HydrophobicContact CD2-CB 3.62Å; L1414-R1483 HydrophobicContact CD2-CG 3.77Å; L1414-R1483 HydrophobicContact CG-CB 4.32Å
1415N89.7Confident78.9Confident31 Ų3139.9 Ų39.917%0.16622%0.217CC..  trans-66.6177.8179.677.70.2000113.5G1412 E1417 W1418 I1419G1412-N1415 WeakPolarHBondContact O-CB 3.32Å; G1412-N1415 PolarHBondContact O-N 3.35Å; G1412-N1415 VanDerWaalsContact O-N 3.15Å; N1415-E1417 PolarHBondContact ND2-OE2 2.8Å; N1415-E1417 PolarHBondContact O-N 2.94Å; N1415-E1417 WeakPolarHBondContact OD1-CA 3.34Å; N1415-E1417 WeakPolarHBondContact OD1-CB 3.27Å; N1415-E1417 PolarHBondContact OD1-N 3.45Å; N1415-W1418 PolarHBondContact O-N 2.71Å; N1415-W1418 VanDerWaalsContact O-N 3.14Å; N1415-W1418 PolarHBondContact OD1-N 3.5Å; N1415-I1419 WeakPolarHBondContact O-CG1 3.37Å; N1415-I1419 PolarHBondContact O-N 3.44Å
1416H92.8Very high81.7Confident22 Ų2232.5 Ų32.510%0.10218%0.179CC..Hα-helixtrans-65.1-21.8179.772-85.3000114.3G1327 G1420 L1440 V1441G1327-H1416 PolarHBondContact O-CE1 3.23Å; H1416-G1420 PolarHBondContact O-N 2.99Å; H1416-L1440 VanDerWaalsContact CB-C 3.42Å; H1416-L1440 WeakPolarHBondContact CB-O 3.26Å; H1416-V1441 WeakPolarHBondContact CA-O 3.36Å; H1416-V1441 VanDerWaalsContact CB-O 3.31Å; H1416-V1441 WeakPolarHBondContact CB-O 3.4Å
1417E91Very high84.2Confident100 Ų10031.2 Ų31.247%0.46717%0.169SC..Hα-helixtrans-75.9-39.3173.2-53.6175.2117.400111.1N1415 N1421N1415-E1417 PolarHBondContact ND2-OE2 2.8Å; N1415-E1417 PolarHBondContact O-N 2.94Å; N1415-E1417 WeakPolarHBondContact OD1-CA 3.34Å; N1415-E1417 WeakPolarHBondContact OD1-CB 3.27Å; N1415-E1417 PolarHBondContact OD1-N 3.45Å; E1417-N1421 WeakPolarHBondContact O-CB 3.29Å; E1417-N1421 VanDerWaalsContact O-CG 3.29Å; E1417-N1421 PolarHBondContact O-N 3.42Å; E1417-N1421 PolarHBondContact O-ND2 3.06Å
1418W92.5Very high86.1Confident8 Ų828.4 Ų28.43%0.0315%0.149CC..Hα-helixtrans-66.8-44.1172.8-175.189.8000110.9L1414 N1415 G1420 V1422 W1423 L1476 R1483 I1486 E1487L1414-W1418 HydrophobicContact CB-CE3 4.4Å; L1414-W1418 HydrophobicContact CD2-CD2 3.68Å; L1414-W1418 HydrophobicContact CD2-CE3 3.54Å; L1414-W1418 HydrophobicContact CD2-CG 4.46Å; L1414-W1418 HydrophobicContact CD2-CH2 3.64Å; L1414-W1418 HydrophobicContact CD2-CZ2 3.77Å; L1414-W1418 HydrophobicContact CD2-CZ3 3.54Å; N1415-W1418 PolarHBondContact O-N 2.71Å; N1415-W1418 VanDerWaalsContact O-N 3.14Å; N1415-W1418 PolarHBondContact OD1-N 3.5Å; W1418-G1420 PolarHBondContact O-N 2.65Å; W1418-V1422 HydrophobicContact CG-CB 4.29Å; W1418-V1422 HydrophobicContact CG-CG2 4.49Å; W1418-V1422 WeakPolarHBondContact O-CA 3.49Å; W1418-V1422 WeakPolarHBondContact O-CB 3.43Å; W1418-V1422 PolarHBondContact O-N 2.82Å; W1418-W1423 HydrophobicContact CD2-CB 4.36Å; W1418-W1423 HydrophobicContact CE3-CB 3.71Å; W1418-W1423 HydrophobicContact CE3-CG 4.29Å; W1418-W1423 HydrophobicContact CH2-CB 3.85Å; W1418-W1423 AromaticContact CH2-CD1 3.48Å; W1418-W1423 VanDerWaalsContact CH2-CD1 3.48Å; W1418-W1423 AromaticContact CH2-CG 3.84Å; W1418-W1423 HydrophobicContact CH2-CG 3.84Å; W1418-W1423 HydrophobicContact CZ2-CB 4.45Å; W1418-W1423 HydrophobicContact CZ3-CB 3.42Å; W1418-W1423 VanDerWaalsContact CZ3-CB 3.42Å; W1418-W1423 AromaticContact CZ3-CD1 3.62Å; W1418-W1423 HydrophobicContact CZ3-CD2 4.36Å; W1418-W1423 AromaticContact CZ3-CG 3.53Å; W1418-W1423 HydrophobicContact CZ3-CG 3.53Å; W1418-W1423 PolarHBondContact O-N 3.35Å; W1418-L1476 HydrophobicContact CH2-CD2 4.1Å; W1418-L1476 HydrophobicContact CZ3-CD2 4.5Å; W1418-R1483 HydrophobicContact CZ2-CG 4.32Å; W1418-I1486 HydrophobicContact CZ2-CG2 4.26Å; W1418-E1487 PolarHBondContact NE1-OE1 2.93Å; W1418-E1487 VanDerWaalsContact NE1-OE1 3.1Å
1419I95Very high87.8Confident0 Ų026.7 Ų26.70%014%0.138CC..Iπ-helixtrans-56.3-50.8174.7-69.6-63.9000111.2N1415 W1423 L1424 F1436 V1441 A1443 L1446N1415-I1419 WeakPolarHBondContact O-CG1 3.37Å; N1415-I1419 PolarHBondContact O-N 3.44Å; I1419-W1423 HydrophobicContact CD1-CB 4.42Å; I1419-W1423 HydrophobicContact CD1-CD2 4.06Å; I1419-W1423 HydrophobicContact CD1-CE3 3.69Å; I1419-W1423 HydrophobicContact CD1-CG 4.41Å; I1419-W1423 HydrophobicContact CD1-CZ3 4.22Å; I1419-W1423 HydrophobicContact CG2-CE3 4.24Å; I1419-L1424 HydrophobicContact CG2-CD1 4.29Å; I1419-L1424 WeakPolarHBondContact O-CB 3.37Å; I1419-L1424 PolarHBondContact O-N 3.39Å; I1419-F1436 HydrophobicContact CG2-CD1 3.85Å; I1419-V1441 WeakPolarHBondContact CB-O 3.14Å; I1419-V1441 WeakPolarHBondContact CG2-O 3.44Å; I1419-A1443 HydrophobicContact CD1-CB 4.23Å; I1419-L1446 HydrophobicContact CD1-CD1 3.85Å
1420G93.6Very high89.2Confident0 Ų027.3 Ų27.30%015%0.147CC..Iπ-helixtrans-74.2-42.6-17800000115.1H1416 W1418 P1425 R1433H1416-G1420 PolarHBondContact O-N 2.99Å; W1418-G1420 PolarHBondContact O-N 2.65Å; G1420-P1425 WeakPolarHBondContact O-CD 3.36Å; G1420-R1433 VanDerWaalsContact O-CD 3.27Å; G1420-R1433 WeakPolarHBondContact O-CD 3.23Å; G1420-R1433 WeakPolarHBondContact O-CG 2.98Å
1421N94.3Very high90.5Very high63 Ų6333.3 Ų33.334%0.33717%0.169SC..Iπ-helixtrans-92.8-23.7-171.4-59.6-58.5000114.5E1417 R1433E1417-N1421 WeakPolarHBondContact O-CB 3.29Å; E1417-N1421 VanDerWaalsContact O-CG 3.29Å; E1417-N1421 PolarHBondContact O-N 3.42Å; E1417-N1421 PolarHBondContact O-ND2 3.06Å; N1421-R1433 PolarHBondContact OD1-NE 2.8Å; N1421-R1433 PolarHBondContact OD1-NH2 3.49Å
1422V93.5Very high91.9Very high52 Ų5229.2 Ų29.232%0.31515%0.151SC..Iπ-helixtrans-119-52.5-172.9-174.20000110.8W1418 S1426W1418-V1422 HydrophobicContact CG-CB 4.29Å; W1418-V1422 HydrophobicContact CG-CG2 4.49Å; W1418-V1422 WeakPolarHBondContact O-CA 3.49Å; W1418-V1422 WeakPolarHBondContact O-CB 3.43Å; W1418-V1422 PolarHBondContact O-N 2.82Å; V1422-S1426 WeakPolarHBondContact O-CB 3.39Å; V1422-S1426 PolarHBondContact O-N 3Å; V1422-S1426 VanDerWaalsContact O-N 3.11Å
1423W95.5Very high93.2Very high2 Ų233.4 Ų33.41%0.00816%0.163CC..Iπ-helixtrans-78.6-50.9-169.3-174.675.9000113.5W1418 I1419 S1426 L1427 L1446 L1469 I1473 L1476W1418-W1423 HydrophobicContact CD2-CB 4.36Å; W1418-W1423 HydrophobicContact CE3-CB 3.71Å; W1418-W1423 HydrophobicContact CE3-CG 4.29Å; W1418-W1423 HydrophobicContact CH2-CB 3.85Å; W1418-W1423 AromaticContact CH2-CD1 3.48Å; W1418-W1423 VanDerWaalsContact CH2-CD1 3.48Å; W1418-W1423 AromaticContact CH2-CG 3.84Å; W1418-W1423 HydrophobicContact CH2-CG 3.84Å; W1418-W1423 HydrophobicContact CZ2-CB 4.45Å; W1418-W1423 HydrophobicContact CZ3-CB 3.42Å; W1418-W1423 VanDerWaalsContact CZ3-CB 3.42Å; W1418-W1423 AromaticContact CZ3-CD1 3.62Å; W1418-W1423 HydrophobicContact CZ3-CD2 4.36Å; W1418-W1423 AromaticContact CZ3-CG 3.53Å; W1418-W1423 HydrophobicContact CZ3-CG 3.53Å; W1418-W1423 PolarHBondContact O-N 3.35Å; I1419-W1423 HydrophobicContact CD1-CB 4.42Å; I1419-W1423 HydrophobicContact CD1-CD2 4.06Å; I1419-W1423 HydrophobicContact CD1-CE3 3.69Å; I1419-W1423 HydrophobicContact CD1-CG 4.41Å; I1419-W1423 HydrophobicContact CD1-CZ3 4.22Å; I1419-W1423 HydrophobicContact CG2-CE3 4.24Å; W1423-S1426 CarbonylContact O-C 3.56Å; W1423-S1426 WeakPolarHBondContact O-CA 3.44Å; W1423-S1426 WeakPolarHBondContact O-CB 3.38Å; W1423-S1426 PolarHBondContact O-N 3.15Å; W1423-S1426 PolarHBondContact O-OG 3.47Å; W1423-L1427 HydrophobicContact CD2-CD1 4.16Å; W1423-L1427 HydrophobicContact CE3-CD1 4.21Å; W1423-L1427 HydrophobicContact CH2-CD1 3.85Å; W1423-L1427 HydrophobicContact CZ2-CD1 3.78Å; W1423-L1427 HydrophobicContact CZ3-CD1 4.06Å; W1423-L1427 PolarHBondContact O-N 2.83Å; W1423-L1446 HydrophobicContact CE3-CD1 4.49Å; W1423-L1446 HydrophobicContact CH2-CD1 3.56Å; W1423-L1446 HydrophobicContact CH2-CD2 4.02Å; W1423-L1446 HydrophobicContact CH2-CG 4.44Å; W1423-L1446 HydrophobicContact CZ2-CD1 4.09Å; W1423-L1446 HydrophobicContact CZ3-CD1 3.8Å; W1423-L1446 HydrophobicContact CZ3-CD2 3.79Å; W1423-L1446 HydrophobicContact CZ3-CG 4.48Å; W1423-L1469 HydrophobicContact CH2-CD1 3.62Å; W1423-L1469 HydrophobicContact CZ3-CD1 3.63Å; W1423-I1473 HydrophobicContact CH2-CG1 3.86Å; W1423-I1473 HydrophobicContact CZ2-CG1 4.35Å; W1423-L1476 HydrophobicContact CD2-CD1 4.35Å; W1423-L1476 HydrophobicContact CH2-CD1 4.29Å; W1423-L1476 HydrophobicContact CZ2-CD1 3.49Å; W1423-L1476 VanDerWaalsContact CZ2-CD1 3.49Å; W1423-L1476 HydrophobicContact CZ2-CG 3.95Å
1424L96.3Very high94Very high1 Ų133.5 Ų33.51%0.00517%0.171CC..Hα-helixtrans-54.4-47.5175.3-115.966.8000112.6I1419 S1426 L1427 G1428 L1429 F1436 L1469I1419-L1424 HydrophobicContact CG2-CD1 4.29Å; I1419-L1424 WeakPolarHBondContact O-CB 3.37Å; I1419-L1424 PolarHBondContact O-N 3.39Å; L1424-S1426 VanDerWaalsContact C-N 3.32Å; L1424-S1426 PolarHBondContact O-N 3.38Å; L1424-L1427 PolarHBondContact O-N 3.27Å; L1424-G1428 PolarHBondContact O-N 3.29Å; L1424-L1429 HydrophobicContact CG-CB 4.16Å; L1424-L1429 PolarHBondContact O-N 3.47Å; L1424-F1436 HydrophobicContact CD1-CD1 3.89Å; L1424-F1436 HydrophobicContact CD1-CE1 3.9Å; L1424-F1436 HydrophobicContact CD1-CG 4.25Å; L1424-F1436 HydrophobicContact CD1-CZ 4.25Å; L1424-F1436 HydrophobicContact CD2-CB 4.13Å; L1424-F1436 HydrophobicContact CD2-CD1 4.27Å; L1424-F1436 HydrophobicContact CD2-CD2 3.69Å; L1424-F1436 HydrophobicContact CD2-CE2 4.13Å; L1424-F1436 HydrophobicContact CD2-CG 3.77Å; L1424-L1469 HydrophobicContact CD1-CD1 4.46Å
1425P95.7Very high94.4Very high38 Ų3833.4 Ų33.425%0.24717%0.171CC..Hα-helixtrans-58.9-40.5172-27.237.6000112.8G1420 L1427 G1428 A1430G1420-P1425 WeakPolarHBondContact O-CD 3.36Å; P1425-L1427 PolarHBondContact O-N 2.9Å; P1425-G1428 PolarHBondContact O-N 2.91Å; P1425-A1430 HydrophobicContact CB-CB 4.35Å; P1425-A1430 HydrophobicContact CG-CB 4.23Å
1426S95.1Very high94.8Very high8 Ų832 Ų326%0.05616%0.163CC..Hα-helixtrans-65-20.7177.381.10000114.5V1422 W1423 L1424 R1490 S1504 N1505V1422-S1426 WeakPolarHBondContact O-CB 3.39Å; V1422-S1426 PolarHBondContact O-N 3Å; V1422-S1426 VanDerWaalsContact O-N 3.11Å; W1423-S1426 CarbonylContact O-C 3.56Å; W1423-S1426 WeakPolarHBondContact O-CA 3.44Å; W1423-S1426 WeakPolarHBondContact O-CB 3.38Å; W1423-S1426 PolarHBondContact O-N 3.15Å; W1423-S1426 PolarHBondContact O-OG 3.47Å; L1424-S1426 VanDerWaalsContact C-N 3.32Å; L1424-S1426 PolarHBondContact O-N 3.38Å; S1426-R1490 VanDerWaalsContact CB-NH1 3.33Å; S1426-R1490 PolarHBondContact OG-NH1 3.5Å; S1426-R1490 PolarHBondContact OG-NH2 2.81Å; S1426-S1504 CarbonylContact O-C 3.54Å; S1426-S1504 WeakPolarHBondContact O-CA 3.42Å; S1426-S1504 WeakPolarHBondContact O-CB 3.43Å; S1426-N1505 PolarHBondContact O-N 3.11Å
1427L96.8Very high94.9Very high2 Ų233 Ų331%0.0117%0.169CC..THydrogen-bonded Turntrans-86.7-6.8170.7-58.1-177.1000113.1W1423 L1424 P1425 L1429 L1469 G1528 H1530W1423-L1427 HydrophobicContact CD2-CD1 4.16Å; W1423-L1427 HydrophobicContact CE3-CD1 4.21Å; W1423-L1427 HydrophobicContact CH2-CD1 3.85Å; W1423-L1427 HydrophobicContact CZ2-CD1 3.78Å; W1423-L1427 HydrophobicContact CZ3-CD1 4.06Å; W1423-L1427 PolarHBondContact O-N 2.83Å; L1424-L1427 PolarHBondContact O-N 3.27Å; P1425-L1427 PolarHBondContact O-N 2.9Å; L1427-L1429 HydrophobicContact CB-CB 4.49Å; L1427-L1429 HydrophobicContact CB-CD1 4.19Å; L1427-L1429 HydrophobicContact CB-CG 4.17Å; L1427-L1429 HydrophobicContact CD1-CD1 4.29Å; L1427-L1469 HydrophobicContact CD1-CD1 4.23Å; L1427-G1528 CarbonylContact O-C 3.57Å; L1427-G1528 VanDerWaalsContact O-CA 3.3Å; L1427-G1528 WeakPolarHBondContact O-CA 3.33Å; L1427-G1528 VanDerWaalsContact O-O 3.14Å; L1427-H1530 PolarHBondContact O-ND1 3.28Å
1428G95.6Very high95Very high2 Ų234.1 Ų34.12%0.02117%0.174CC..THydrogen-bonded Turntrans75.731.2-170.300000113.1L1424 P1425 D1526 S1527 G1528L1424-G1428 PolarHBondContact O-N 3.29Å; P1425-G1428 PolarHBondContact O-N 2.91Å; G1428-D1526 CarbonylContact O-C 3.56Å; G1428-D1526 WeakPolarHBondContact O-CA 3.39Å; G1428-S1527 PolarHBondContact O-N 2.92Å; G1428-G1528 PolarHBondContact O-N 3.37Å
1429L96.4Very high95.2Very high0 Ų034 Ų340%017%0.174CC..  trans-121.930.8-176.7-66.3-179.6000112.7L1424 L1427 R1431 Y1432 M1460 H1465 L1469L1424-L1429 HydrophobicContact CG-CB 4.16Å; L1424-L1429 PolarHBondContact O-N 3.47Å; L1427-L1429 HydrophobicContact CB-CB 4.49Å; L1427-L1429 HydrophobicContact CB-CD1 4.19Å; L1427-L1429 HydrophobicContact CB-CG 4.17Å; L1427-L1429 HydrophobicContact CD1-CD1 4.29Å; L1429-R1431 PolarHBondContact O-N 2.81Å; L1429-Y1432 HydrophobicContact CB-CD2 4.31Å; L1429-Y1432 HydrophobicContact CD2-CD2 4.3Å; L1429-Y1432 HydrophobicContact CD2-CE2 4.27Å; L1429-Y1432 PolarHBondContact O-N 3.22Å; L1429-Y1432 VanDerWaalsContact O-N 3.13Å; L1429-M1460 HydrophobicContact CD1-CE 4.14Å; L1429-H1465 HydrophobicContact CD2-CB 3.83Å; L1429-L1469 HydrophobicContact CD1-CB 4.15Å; L1429-L1469 HydrophobicContact CD1-CD1 4.49Å
1430A94.4Very high95.2Very high40 Ų4034.5 Ų34.533%0.33118%0.177SC..G310 helixtrans-58.4-32-175.300000113.3P1425 Y1432 R1433 D1526P1425-A1430 HydrophobicContact CB-CB 4.35Å; P1425-A1430 HydrophobicContact CG-CB 4.23Å; A1430-Y1432 PolarHBondContact O-N 3.41Å; A1430-R1433 WeakPolarHBondContact O-CB 3.42Å; A1430-R1433 PolarHBondContact O-N 2.94Å; A1430-D1526 WeakPolarHBondContact CA-OD1 3.15Å; A1430-D1526 WeakPolarHBondContact CB-OD1 3.28Å; A1430-D1526 PolarHBondContact N-OD1 3.31Å
1431R93.5Very high95.3Very high133 Ų13334.5 Ų34.550%0.50218%0.177SC..G310 helixtrans-51.5-28.1174.865.4167.984.7-139.18.4114L1429 D1526L1429-R1431 PolarHBondContact O-N 2.81Å; R1431-D1526 HydrophobicContact CB-CB 4.49Å; R1431-D1526 HydrophobicContact CG-CB 4.5Å; R1431-D1526 PolarHBondContact N-OD1 3.41Å; R1431-D1526 PolarHBondContact NE-O 3.49Å; R1431-D1526 PolarHBondContact NH2-O 3.03Å
1432Y96.8Very high95.3Very high25 Ų2531.6 Ų31.610%0.09816%0.161CC..G310 helixtrans-91.9-7.8-179.2-62.5-64.1000114.1L1429 A1430 S1434 S1435 F1436 K1459 M1460 H1465L1429-Y1432 HydrophobicContact CB-CD2 4.31Å; L1429-Y1432 HydrophobicContact CD2-CD2 4.3Å; L1429-Y1432 HydrophobicContact CD2-CE2 4.27Å; L1429-Y1432 PolarHBondContact O-N 3.22Å; L1429-Y1432 VanDerWaalsContact O-N 3.13Å; A1430-Y1432 PolarHBondContact O-N 3.41Å; Y1432-S1434 VanDerWaalsContact C-N 3.25Å; Y1432-S1434 PolarHBondContact O-N 2.72Å; Y1432-S1434 VanDerWaalsContact O-N 3.13Å; Y1432-S1435 PolarHBondContact O-N 3.05Å; Y1432-F1436 WeakPolarHBondContact O-CD2 3.17Å; Y1432-F1436 PolarHBondContact O-N 2.88Å; Y1432-F1436 VanDerWaalsContact O-N 3.14Å; Y1432-K1459 WeakPolarHBondContact CE1-O 3.26Å; Y1432-M1460 HydrophobicContact CD1-CG 3.65Å; Y1432-M1460 HydrophobicContact CD2-CE 3.87Å; Y1432-M1460 HydrophobicContact CD2-CG 4.03Å; Y1432-M1460 HydrophobicContact CD2-SD 4.35Å; Y1432-M1460 HydrophobicContact CE1-CB 4.29Å; Y1432-M1460 HydrophobicContact CE1-CG 3.74Å; Y1432-M1460 HydrophobicContact CE2-CE 3.9Å; Y1432-M1460 HydrophobicContact CE2-CG 4.09Å; Y1432-M1460 HydrophobicContact CG-CE 4.49Å; Y1432-M1460 HydrophobicContact CG-CG 3.82Å; Y1432-M1460 HydrophobicContact CG-SD 4.39Å; Y1432-H1465 HydrophobicContact CE2-CB 3.83Å; Y1432-H1465 AromaticContact CE2-CG 3.82Å; Y1432-H1465 AromaticContact CE2-ND1 3.68Å; Y1432-H1465 AromaticContact CZ-ND1 3.83Å; Y1432-H1465 PolarHBondContact OH-ND1 3.21Å; Y1432-H1465 VanDerWaalsContact OH-ND1 3.08Å
1433R96.3Very high95.2Very high100 Ų10029.1 Ų29.138%0.37715%0.146SC..Hα-helixtrans-48.1-45.5-177.2168.3179.2174.3-74.4-3.7112.9G1420 N1421 A1430 S1435 F1436 M1437G1420-R1433 VanDerWaalsContact O-CD 3.27Å; G1420-R1433 WeakPolarHBondContact O-CD 3.23Å; G1420-R1433 WeakPolarHBondContact O-CG 2.98Å; N1421-R1433 PolarHBondContact OD1-NE 2.8Å; N1421-R1433 PolarHBondContact OD1-NH2 3.49Å; A1430-R1433 WeakPolarHBondContact O-CB 3.42Å; A1430-R1433 PolarHBondContact O-N 2.94Å; R1433-S1435 VanDerWaalsContact C-N 3.33Å; R1433-S1435 PolarHBondContact O-N 3.34Å; R1433-F1436 PolarHBondContact O-N 2.88Å; R1433-M1437 HydrophobicContact CG-CG 4.4Å; R1433-M1437 HydrophobicContact CG-SD 3.96Å; R1433-M1437 VanDerWaalsContact CZ-SD 3.53Å; R1433-M1437 PolarHBondContact NH2-SD 2.84Å; R1433-M1437 VanDerWaalsContact NH2-SD 3.45Å; R1433-M1437 WeakPolarHBondContact O-CB 3.23Å; R1433-M1437 WeakPolarHBondContact O-CG 3.39Å; R1433-M1437 PolarHBondContact O-N 3.39Å
1434S93.8Very high94.9Very high71 Ų7129.8 Ų29.850%0.49715%0.149SC..Hα-helixtrans-56.7-46.2-178.453.30000111.8Y1432 E1438Y1432-S1434 VanDerWaalsContact C-N 3.25Å; Y1432-S1434 PolarHBondContact O-N 2.72Å; Y1432-S1434 VanDerWaalsContact O-N 3.13Å; S1434-E1438 WeakPolarHBondContact O-CB 3.31Å; S1434-E1438 PolarHBondContact O-N 3.44Å
1435S95.1Very high94.8Very high4 Ų429.8 Ų29.83%0.02815%0.149CC..Hα-helixtrans-78.2-33.2-175.4-53.60000112.1Y1432 R1433 C1439 L1458 K1459Y1432-S1435 PolarHBondContact O-N 3.05Å; R1433-S1435 VanDerWaalsContact C-N 3.33Å; R1433-S1435 PolarHBondContact O-N 3.34Å; S1435-C1439 VanDerWaalsContact O-CB 3.29Å; S1435-C1439 WeakPolarHBondContact O-CB 3.34Å; S1435-C1439 PolarHBondContact O-N 3.18Å; S1435-C1439 PolarHBondContact O-SG 3.21Å; S1435-C1439 VanDerWaalsContact O-SG 3.39Å; S1435-L1458 WeakPolarHBondContact O-CD2 3.47Å; S1435-K1459 WeakPolarHBondContact OG-CD 3.36Å; S1435-K1459 PolarHBondContact OG-NZ 3.39Å
1436F96.7Very high94.7Very high0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-65.3-41.7171.8-86.2-111.4000112.2I1419 L1424 Y1432 R1433 C1439 L1440 V1441 L1446 L1449 L1458 M1460 L1469I1419-F1436 HydrophobicContact CG2-CD1 3.85Å; L1424-F1436 HydrophobicContact CD1-CD1 3.89Å; L1424-F1436 HydrophobicContact CD1-CE1 3.9Å; L1424-F1436 HydrophobicContact CD1-CG 4.25Å; L1424-F1436 HydrophobicContact CD1-CZ 4.25Å; L1424-F1436 HydrophobicContact CD2-CB 4.13Å; L1424-F1436 HydrophobicContact CD2-CD1 4.27Å; L1424-F1436 HydrophobicContact CD2-CD2 3.69Å; L1424-F1436 HydrophobicContact CD2-CE2 4.13Å; L1424-F1436 HydrophobicContact CD2-CG 3.77Å; Y1432-F1436 WeakPolarHBondContact O-CD2 3.17Å; Y1432-F1436 PolarHBondContact O-N 2.88Å; Y1432-F1436 VanDerWaalsContact O-N 3.14Å; R1433-F1436 PolarHBondContact O-N 2.88Å; F1436-C1439 CarbonylContact O-C 3.54Å; F1436-L1440 PolarHBondContact O-N 2.85Å; F1436-L1440 VanDerWaalsContact O-N 3.14Å; F1436-V1441 HydrophobicContact CB-CB 4.45Å; F1436-V1441 HydrophobicContact CD1-CB 3.81Å; F1436-V1441 HydrophobicContact CD1-CG1 3.76Å; F1436-V1441 HydrophobicContact CD1-CG2 4.16Å; F1436-V1441 HydrophobicContact CE1-CG1 4.02Å; F1436-V1441 HydrophobicContact CG-CB 4.44Å; F1436-V1441 HydrophobicContact CG-CG2 4.49Å; F1436-V1441 PolarHBondContact O-N 3.02Å; F1436-L1446 HydrophobicContact CE1-CD2 4.31Å; F1436-L1449 HydrophobicContact CE1-CD1 4.32Å; F1436-L1458 HydrophobicContact CD2-CB 4.33Å; F1436-L1458 HydrophobicContact CD2-CD1 4.49Å; F1436-L1458 HydrophobicContact CD2-CD2 4.03Å; F1436-L1458 HydrophobicContact CE1-CD1 4.29Å; F1436-L1458 HydrophobicContact CE2-CB 3.94Å; F1436-L1458 HydrophobicContact CE2-CD1 4.02Å; F1436-L1458 HydrophobicContact CE2-CD2 4.32Å; F1436-L1458 HydrophobicContact CE2-CG 4.32Å; F1436-L1458 HydrophobicContact CG-CD2 4.31Å; F1436-L1458 HydrophobicContact CZ-CD1 3.91Å; F1436-M1460 HydrophobicContact CE2-CG 4.45Å; F1436-M1460 HydrophobicContact CE2-SD 3.73Å; F1436-M1460 HydrophobicContact CZ-SD 3.89Å; F1436-L1469 HydrophobicContact CZ-CD1 4.35Å; F1436-L1469 HydrophobicContact CZ-CD2 3.95Å
1437M95.1Very high94.3Very high44 Ų4430.4 Ų30.422%0.21715%0.154CC..Hα-helixtrans-72.8-40.8175.6-69.1-172.771.800112.4R1433 C1439 L1440R1433-M1437 HydrophobicContact CG-CG 4.4Å; R1433-M1437 HydrophobicContact CG-SD 3.96Å; R1433-M1437 VanDerWaalsContact CZ-SD 3.53Å; R1433-M1437 PolarHBondContact NH2-SD 2.84Å; R1433-M1437 VanDerWaalsContact NH2-SD 3.45Å; R1433-M1437 WeakPolarHBondContact O-CB 3.23Å; R1433-M1437 WeakPolarHBondContact O-CG 3.39Å; R1433-M1437 PolarHBondContact O-N 3.39Å; M1437-C1439 PolarHBondContact O-N 3.39Å; M1437-L1440 PolarHBondContact O-N 3.06Å
1438E93.5Very high94Very high123 Ų12335 Ų3558%0.57518%0.175SC*.Hα-helixtrans-58.7-35.1174.3-179.8176.9-155.100111.9H1365 S1434 K1459H1365-E1438 PolarHBondContact CE1-O 3.16Å; H1365-E1438 PolarHBondContact NE2-O 3.48Å; S1434-E1438 WeakPolarHBondContact O-CB 3.31Å; S1434-E1438 PolarHBondContact O-N 3.44Å; E1438-K1459 IonicContact OE2-NZ 3.89Å; E1438-K1459 PolarHBondContact OE2-NZ 3.08Å
1439C95.7Very high93.9Very high6 Ų635.9 Ų35.94%0.04118%0.179CC..THydrogen-bonded Turntrans-93.79.3175.7-64.30000114.6L1364 H1365 S1435 F1436 M1437 V1441 L1458L1364-C1439 HydrophobicContact CB-CB 4.15Å; L1364-C1439 HydrophobicContact CD1-CB 3.66Å; H1365-C1439 PolarHBondContact CD2-O 3.32Å; H1365-C1439 WeakPolarHBondContact NE2-CA 3.38Å; S1435-C1439 VanDerWaalsContact O-CB 3.29Å; S1435-C1439 WeakPolarHBondContact O-CB 3.34Å; S1435-C1439 PolarHBondContact O-N 3.18Å; S1435-C1439 PolarHBondContact O-SG 3.21Å; S1435-C1439 VanDerWaalsContact O-SG 3.39Å; F1436-C1439 CarbonylContact O-C 3.54Å; M1437-C1439 PolarHBondContact O-N 3.39Å; C1439-V1441 HydrophobicContact CB-CG2 3.99Å; C1439-V1441 PolarHBondContact O-N 3.32Å; C1439-V1441 VanDerWaalsContact O-N 3.12Å; C1439-L1458 HydrophobicContact CB-CD2 3.83Å
1440L95.5Very high93.6Very high10 Ų1039.2 Ų39.25%0.05220%0.2CC..THydrogen-bonded Turntrans53.128.8177.6-55.6173.1000115.4P1329 Y1332 K1368 H1416 F1436 M1437 D1442P1329-L1440 HydrophobicContact CG-CD1 3.83Å; P1329-L1440 HydrophobicContact CG-CD2 3.82Å; P1329-L1440 HydrophobicContact CG-CG 4.47Å; Y1332-L1440 HydrophobicContact CD2-CD1 4.45Å; Y1332-L1440 HydrophobicContact CE2-CD1 4.21Å; K1368-L1440 HydrophobicContact CD-CB 3.67Å; K1368-L1440 HydrophobicContact CD-CD1 4.4Å; K1368-L1440 WeakPolarHBondContact CD-O 3.46Å; K1368-L1440 WeakPolarHBondContact CE-O 3.46Å; K1368-L1440 PolarHBondContact NZ-O 2.85Å; H1416-L1440 VanDerWaalsContact CB-C 3.42Å; H1416-L1440 WeakPolarHBondContact CB-O 3.26Å; F1436-L1440 PolarHBondContact O-N 2.85Å; F1436-L1440 VanDerWaalsContact O-N 3.14Å; M1437-L1440 PolarHBondContact O-N 3.06Å; L1440-D1442 PolarHBondContact O-N 2.91Å
1441V95.9Very high93.4Very high0 Ų042.1 Ų42.10%021%0.205CC..  trans-64112.9-173.8-177.70000111.2H1416 I1419 F1436 C1439 M1445 L1446 L1449 L1458H1416-V1441 WeakPolarHBondContact CA-O 3.36Å; H1416-V1441 VanDerWaalsContact CB-O 3.31Å; H1416-V1441 WeakPolarHBondContact CB-O 3.4Å; I1419-V1441 WeakPolarHBondContact CB-O 3.14Å; I1419-V1441 WeakPolarHBondContact CG2-O 3.44Å; F1436-V1441 HydrophobicContact CB-CB 4.45Å; F1436-V1441 HydrophobicContact CD1-CB 3.81Å; F1436-V1441 HydrophobicContact CD1-CG1 3.76Å; F1436-V1441 HydrophobicContact CD1-CG2 4.16Å; F1436-V1441 HydrophobicContact CE1-CG1 4.02Å; F1436-V1441 HydrophobicContact CG-CB 4.44Å; F1436-V1441 HydrophobicContact CG-CG2 4.49Å; F1436-V1441 PolarHBondContact O-N 3.02Å; C1439-V1441 HydrophobicContact CB-CG2 3.99Å; C1439-V1441 PolarHBondContact O-N 3.32Å; C1439-V1441 VanDerWaalsContact O-N 3.12Å; V1441-M1445 HydrophobicContact CB-CE 4.46Å; V1441-M1445 HydrophobicContact CG1-CB 4.23Å; V1441-M1445 HydrophobicContact CG2-CE 4.15Å; V1441-L1446 HydrophobicContact CG1-CD2 4.11Å; V1441-L1449 HydrophobicContact CG1-CD1 4.11Å; V1441-L1458 HydrophobicContact CG2-CD1 4.23Å; V1441-L1458 HydrophobicContact CG2-CD2 3.8Å
1442D93.5Very high93.2Very high2 Ų241.6 Ų41.61%0.01120%0.203CC..  trans-103.7175.117169.738000112.3K1368 L1440 R1444 M1445 L1446K1368-D1442 IonicContact NZ-OD2 3.78Å; K1368-D1442 PolarHBondContact NZ-OD2 3.32Å; L1440-D1442 PolarHBondContact O-N 2.91Å; D1442-R1444 PolarHBondContact O-N 3.46Å; D1442-R1444 VanDerWaalsContact OD1-CB 3.28Å; D1442-R1444 WeakPolarHBondContact OD1-CB 3.24Å; D1442-R1444 PolarHBondContact OD1-N 2.76Å; D1442-R1444 IonicContact OD1-NE 2.72Å; D1442-R1444 PolarHBondContact OD1-NE 2.82Å; D1442-R1444 IonicContact OD2-CZ 3.77Å; D1442-R1444 IonicContact OD2-NE 2.74Å; D1442-R1444 PolarHBondContact OD2-NE 2.79Å; D1442-R1444 IonicContact OD2-NH2 3.67Å; D1442-R1444 PolarHBondContact OD2-NH2 3.47Å; D1442-M1445 WeakPolarHBondContact O-CB 3.33Å; D1442-M1445 PolarHBondContact O-N 2.94Å; D1442-M1445 VanDerWaalsContact O-N 3.08Å; D1442-M1445 PolarHBondContact OD1-N 3.37Å; D1442-L1446 PolarHBondContact O-N 3.44Å
1443A91.7Very high93.1Very high0 Ų041.4 Ų41.40%020%0.203CC..THydrogen-bonded Turntrans-61.2-25.2-175.800000114.8L1409 L1414 I1419 L1446 Y1481L1409-A1443 HydrophobicContact CD2-CB 3.54Å; L1414-A1443 HydrophobicContact CB-CB 3.56Å; L1414-A1443 HydrophobicContact CD1-CB 3.77Å; L1414-A1443 HydrophobicContact CG-CB 4.34Å; L1414-A1443 PolarHBondContact O-N 3.44Å; I1419-A1443 HydrophobicContact CD1-CB 4.23Å; A1443-L1446 HydrophobicContact CB-CD1 4.4Å; A1443-Y1481 HydrophobicContact CB-CD1 4.08Å; A1443-Y1481 HydrophobicContact CB-CE1 4.39Å
1444R89.8Confident93Very high17 Ų1737.6 Ų37.66%0.06419%0.191CC..THydrogen-bonded Turntrans-70.4-37.2175.9-59.8171.3-72.1-139-10.9110.9E1375 L1409 D1442 L1446 S1447 H1448E1375-R1444 WeakPolarHBondContact OE2-CD 3.46Å; E1375-R1444 IonicContact OE2-CZ 3.02Å; E1375-R1444 IonicContact OE2-NE 3.95Å; E1375-R1444 IonicContact OE2-NH1 3.74Å; E1375-R1444 PolarHBondContact OE2-NH1 3.26Å; L1409-R1444 HydrophobicContact CB-CG 3.82Å; L1409-R1444 HydrophobicContact CD1-CG 4.11Å; L1409-R1444 HydrophobicContact CD2-CG 3.97Å; L1409-R1444 HydrophobicContact CG-CG 4.17Å; L1409-R1444 PolarHBondContact O-NH1 2.9Å; D1442-R1444 PolarHBondContact O-N 3.46Å; D1442-R1444 VanDerWaalsContact OD1-CB 3.28Å; D1442-R1444 WeakPolarHBondContact OD1-CB 3.24Å; D1442-R1444 PolarHBondContact OD1-N 2.76Å; D1442-R1444 IonicContact OD1-NE 2.72Å; D1442-R1444 PolarHBondContact OD1-NE 2.82Å; D1442-R1444 IonicContact OD2-CZ 3.77Å; D1442-R1444 IonicContact OD2-NE 2.74Å; D1442-R1444 PolarHBondContact OD2-NE 2.79Å; D1442-R1444 IonicContact OD2-NH2 3.67Å; D1442-R1444 PolarHBondContact OD2-NH2 3.47Å; R1444-L1446 VanDerWaalsContact C-N 3.29Å; R1444-L1446 PolarHBondContact O-N 3.28Å; R1444-S1447 PolarHBondContact O-OG 2.95Å; R1444-H1448 PolarHBondContact O-CD2 3.47Å
1445M94.1Very high93Very high0 Ų039.3 Ų39.30%019%0.186CC..G310 helixtrans-69.2-27.9-179.8-64.4168.563.600112.5L1364 K1368 L1371 V1441 D1442 S1447 H1448 L1449L1364-M1445 HydrophobicContact CB-CE 3.91Å; L1364-M1445 HydrophobicContact CD2-CE 4.24Å; L1364-M1445 WeakPolarHBondContact O-CE 3.22Å; K1368-M1445 HydrophobicContact CB-CE 4.24Å; K1368-M1445 HydrophobicContact CB-CG 4.45Å; K1368-M1445 HydrophobicContact CB-SD 3.5Å; K1368-M1445 WeakPolarHBondContact CB-SD 3.48Å; K1368-M1445 HydrophobicContact CD-SD 4.29Å; K1368-M1445 HydrophobicContact CG-SD 3.74Å; L1371-M1445 HydrophobicContact CD1-CB 4.5Å; L1371-M1445 HydrophobicContact CD1-CG 4.06Å; V1441-M1445 HydrophobicContact CB-CE 4.46Å; V1441-M1445 HydrophobicContact CG1-CB 4.23Å; V1441-M1445 HydrophobicContact CG2-CE 4.15Å; D1442-M1445 WeakPolarHBondContact O-CB 3.33Å; D1442-M1445 PolarHBondContact O-N 2.94Å; D1442-M1445 VanDerWaalsContact O-N 3.08Å; D1442-M1445 PolarHBondContact OD1-N 3.37Å; M1445-S1447 VanDerWaalsContact C-N 3.27Å; M1445-S1447 PolarHBondContact O-N 2.6Å; M1445-H1448 CarbonylContact O-C 3.54Å; M1445-H1448 WeakPolarHBondContact O-CA 3.4Å; M1445-H1448 PolarHBondContact O-N 3.21Å; M1445-L1449 WeakPolarHBondContact O-CG 3.38Å; M1445-L1449 PolarHBondContact O-N 3.3Å
1446L93.2Very high92.7Very high5 Ų543.7 Ų43.73%0.02621%0.208CC..G310 helixtrans-54.1-38.6-174.4-67.9177000113.9I1419 W1423 F1436 V1441 D1442 A1443 R1444 H1448 L1449 I1473 L1476I1419-L1446 HydrophobicContact CD1-CD1 3.85Å; W1423-L1446 HydrophobicContact CE3-CD1 4.49Å; W1423-L1446 HydrophobicContact CH2-CD1 3.56Å; W1423-L1446 HydrophobicContact CH2-CD2 4.02Å; W1423-L1446 HydrophobicContact CH2-CG 4.44Å; W1423-L1446 HydrophobicContact CZ2-CD1 4.09Å; W1423-L1446 HydrophobicContact CZ3-CD1 3.8Å; W1423-L1446 HydrophobicContact CZ3-CD2 3.79Å; W1423-L1446 HydrophobicContact CZ3-CG 4.48Å; F1436-L1446 HydrophobicContact CE1-CD2 4.31Å; V1441-L1446 HydrophobicContact CG1-CD2 4.11Å; D1442-L1446 PolarHBondContact O-N 3.44Å; A1443-L1446 HydrophobicContact CB-CD1 4.4Å; R1444-L1446 VanDerWaalsContact C-N 3.29Å; R1444-L1446 PolarHBondContact O-N 3.28Å; L1446-H1448 PolarHBondContact O-N 2.87Å; L1446-L1449 HydrophobicContact CD2-CD1 4.17Å; L1446-I1473 HydrophobicContact CB-CD1 4.03Å; L1446-I1473 HydrophobicContact CB-CG1 4.06Å; L1446-I1473 HydrophobicContact CD1-CG1 4.26Å; L1446-I1473 HydrophobicContact CD2-CD1 4.45Å; L1446-L1476 HydrophobicContact CD1-CD1 3.68Å
1447S86.3Confident92.5Very high55 Ų5546.4 Ų46.439%0.38522%0.221SC..G310 helixtrans-74.7-8.3177.843.30000114.5R1444 M1445R1444-S1447 PolarHBondContact O-OG 2.95Å; M1445-S1447 VanDerWaalsContact C-N 3.27Å; M1445-S1447 PolarHBondContact O-N 2.6Å
1448H91Very high92.5Very high97 Ų9744.3 Ų44.345%0.44921%0.211SC..G310 helixtrans-118.61.7-177-58-89.4000113.2L1367 L1371 R1444 M1445 L1446 T1450L1367-H1448 HydrophobicContact CD1-CB 4.43Å; L1367-H1448 HydrophobicContact CD2-CB 4.21Å; L1371-H1448 HydrophobicContact CD1-CB 4.38Å; R1444-H1448 PolarHBondContact O-CD2 3.47Å; M1445-H1448 CarbonylContact O-C 3.54Å; M1445-H1448 WeakPolarHBondContact O-CA 3.4Å; M1445-H1448 PolarHBondContact O-N 3.21Å; L1446-H1448 PolarHBondContact O-N 2.87Å; H1448-T1450 PolarHBondContact O-N 2.97Å
1449L93.6Very high92.5Very high21 Ų2143.5 Ų43.511%0.1121%0.205CC..  trans-70.9116.9175.7-65.4179.4000110.6L1364 F1436 V1441 M1445 L1446 D1453 L1454 L1458L1364-L1449 HydrophobicContact CD2-CD2 3.82Å; F1436-L1449 HydrophobicContact CE1-CD1 4.32Å; V1441-L1449 HydrophobicContact CG1-CD1 4.11Å; M1445-L1449 WeakPolarHBondContact O-CG 3.38Å; M1445-L1449 PolarHBondContact O-N 3.3Å; L1446-L1449 HydrophobicContact CD2-CD1 4.17Å; L1449-D1453 HydrophobicContact CD2-CB 4.44Å; L1449-L1454 HydrophobicContact CB-CD2 4.38Å; L1449-L1454 HydrophobicContact CB-CG 4.4Å; L1449-L1454 HydrophobicContact CD1-CD2 4.16Å; L1449-L1458 HydrophobicContact CD1-CD1 3.73Å; L1449-L1458 HydrophobicContact CD2-CD1 3.95Å; L1449-L1458 HydrophobicContact CG-CD1 4.42Å
1450T90.9Very high92.4Very high70 Ų7043.2 Ų43.243%0.42920%0.203SC..  trans-79.1165178.670.30000112.3H1448 R1452 D1453 L1454H1448-T1450 PolarHBondContact O-N 2.97Å; T1450-R1452 PolarHBondContact O-N 2.85Å; T1450-R1452 VanDerWaalsContact O-N 3.13Å; T1450-R1452 WeakPolarHBondContact OG1-CB 3.34Å; T1450-R1452 PolarHBondContact OG1-N 3.17Å; T1450-D1453 VanDerWaalsContact CB-OD2 3.3Å; T1450-D1453 WeakPolarHBondContact CB-OD2 3.15Å; T1450-D1453 WeakPolarHBondContact CG2-OD2 3.39Å; T1450-D1453 PolarHBondContact N-OD2 3.07Å; T1450-D1453 PolarHBondContact O-N 3.25Å; T1450-D1453 VanDerWaalsContact O-N 3.13Å; T1450-D1453 VanDerWaalsContact OG1-CG 3.26Å; T1450-D1453 PolarHBondContact OG1-N 3.13Å; T1450-D1453 PolarHBondContact OG1-OD2 2.98Å; T1450-L1454 WeakPolarHBondContact O-CG 3.36Å; T1450-L1454 PolarHBondContact O-N 3.29Å
1451K89.2Confident92.3Very high101 Ų10148.1 Ų48.144%0.43923%0.233SC..Hα-helixtrans-58.5-19.7167.4-173.5178.9176.8-176.90112.6R1455K1451-R1455 WeakPolarHBondContact O-CG 3.26Å; K1451-R1455 PolarHBondContact O-NE 3.16Å
1452R88.8Confident92.1Very high123 Ų12351.4 Ų51.446%0.46425%0.251SS..Hα-helixtrans-78.5-49.3172.4-169.5-176.9-176.2101-3.2110.8T1450 L1454 R1455 I1456 E1610T1450-R1452 PolarHBondContact O-N 2.85Å; T1450-R1452 VanDerWaalsContact O-N 3.13Å; T1450-R1452 WeakPolarHBondContact OG1-CB 3.34Å; T1450-R1452 PolarHBondContact OG1-N 3.17Å; R1452-L1454 PolarHBondContact O-N 3.25Å; R1452-R1455 PolarHBondContact O-N 2.99Å; R1452-I1456 HydrophobicContact CG-CD1 3.68Å; R1452-I1456 HydrophobicContact CG-CG1 4.35Å; R1452-I1456 WeakPolarHBondContact O-CB 3.48Å; R1452-I1456 PolarHBondContact O-N 2.9Å; R1452-E1610 WeakPolarHBondContact CD-OE1 3.26Å; R1452-E1610 IonicContact CZ-OE1 3.44Å; R1452-E1610 IonicContact NE-OE1 3.17Å; R1452-E1610 IonicContact NH1-OE1 2.71Å; R1452-E1610 PolarHBondContact NH1-OE1 2.88Å
1453D95.3Very high91.9Very high20 Ų2058.4 Ų58.411%0.10728%0.284CS..Hα-helixtrans-59.7-46.7178.3-59.5-58.1000112.2L1364 L1449 T1450 R1455 H1457 L1458L1364-D1453 HydrophobicContact CD2-CB 4.19Å; L1449-D1453 HydrophobicContact CD2-CB 4.44Å; T1450-D1453 VanDerWaalsContact CB-OD2 3.3Å; T1450-D1453 WeakPolarHBondContact CB-OD2 3.15Å; T1450-D1453 WeakPolarHBondContact CG2-OD2 3.39Å; T1450-D1453 PolarHBondContact N-OD2 3.07Å; T1450-D1453 PolarHBondContact O-N 3.25Å; T1450-D1453 VanDerWaalsContact O-N 3.13Å; T1450-D1453 VanDerWaalsContact OG1-CG 3.26Å; T1450-D1453 PolarHBondContact OG1-N 3.13Å; T1450-D1453 PolarHBondContact OG1-OD2 2.98Å; D1453-R1455 VanDerWaalsContact C-N 3.3Å; D1453-R1455 PolarHBondContact O-N 3.21Å; D1453-H1457 PolarHBondContact O-N 3.15Å; D1453-H1457 IonicContact OD1-CD2 2.65Å; D1453-L1458 PolarHBondContact O-N 2.92Å
1454L94.9Very high92Very high21 Ų2161 Ų6111%0.1130%0.295CS..Hα-helixtrans-57.4-42.8178.4-70.2171.7000111.6L1449 T1450 R1452 L1458 K1459 M1460 R1466 L1469L1449-L1454 HydrophobicContact CB-CD2 4.38Å; L1449-L1454 HydrophobicContact CB-CG 4.4Å; L1449-L1454 HydrophobicContact CD1-CD2 4.16Å; T1450-L1454 WeakPolarHBondContact O-CG 3.36Å; T1450-L1454 PolarHBondContact O-N 3.29Å; R1452-L1454 PolarHBondContact O-N 3.25Å; L1454-L1458 HydrophobicContact CD2-CD1 4.16Å; L1454-L1458 CarbonylContact O-C 3.59Å; L1454-K1459 PolarHBondContact O-N 2.99Å; L1454-K1459 VanDerWaalsContact O-N 3.16Å; L1454-M1460 HydrophobicContact CB-CB 4.48Å; L1454-M1460 HydrophobicContact CD2-SD 3.96Å; L1454-M1460 WeakPolarHBondContact O-CA 3.4Å; L1454-M1460 WeakPolarHBondContact O-CB 3.4Å; L1454-M1460 PolarHBondContact O-N 2.65Å; L1454-R1466 HydrophobicContact CB-CG 4.46Å; L1454-R1466 HydrophobicContact CD1-CG 4.27Å; L1454-L1469 HydrophobicContact CD2-CD2 3.48Å; L1454-L1469 VanDerWaalsContact CD2-CD2 3.48Å
1455R92.8Very high92.3Very high106 Ų10660.7 Ų60.740%0.429%0.294SS..Hα-helixtrans-78.2-49.4-179.6-71.4-176.8-66.6164.71.4113.2K1451 R1452 D1453 K1459K1451-R1455 WeakPolarHBondContact O-CG 3.26Å; K1451-R1455 PolarHBondContact O-NE 3.16Å; R1452-R1455 PolarHBondContact O-N 2.99Å; D1453-R1455 VanDerWaalsContact C-N 3.3Å; D1453-R1455 PolarHBondContact O-N 3.21Å; R1455-K1459 WeakPolarHBondContact O-CA 3.29Å
1456I89.6Confident92.3Very high96 Ų9662.7 Ų62.749%0.49230%0.302SS..Hα-helixtrans-86.5-50.9-168.6-59.3-176.2000111.6R1452R1452-I1456 HydrophobicContact CG-CD1 3.68Å; R1452-I1456 HydrophobicContact CG-CG1 4.35Å; R1452-I1456 WeakPolarHBondContact O-CB 3.48Å; R1452-I1456 PolarHBondContact O-N 2.9Å
1457H91.8Very high92.4Very high58 Ų5865.3 Ų65.327%0.26932%0.315SS..THydrogen-bonded Turntrans-87.4-39.3-174.4-65.3-57.4000112.2P1363 L1364 D1453P1363-H1457 WeakPolarHBondContact CG-NE2 3.35Å; L1364-H1457 HydrophobicContact CD1-CB 3.67Å; L1364-H1457 HydrophobicContact CG-CB 4.49Å; D1453-H1457 PolarHBondContact O-N 3.15Å; D1453-H1457 IonicContact OD1-CD2 2.65Å
1458L95.5Very high92.8Very high0 Ų062.7 Ų62.70%030%0.297CS..SBendtrans-101.50.3-175-56173.9000114.1L1364 S1435 F1436 C1439 V1441 L1449 D1453 L1454 M1460L1364-L1458 HydrophobicContact CD1-CD1 4.38Å; L1364-L1458 HydrophobicContact CD1-CD2 4.05Å; L1364-L1458 HydrophobicContact CD1-CG 4.1Å; S1435-L1458 WeakPolarHBondContact O-CD2 3.47Å; F1436-L1458 HydrophobicContact CD2-CB 4.33Å; F1436-L1458 HydrophobicContact CD2-CD1 4.49Å; F1436-L1458 HydrophobicContact CD2-CD2 4.03Å; F1436-L1458 HydrophobicContact CE1-CD1 4.29Å; F1436-L1458 HydrophobicContact CE2-CB 3.94Å; F1436-L1458 HydrophobicContact CE2-CD1 4.02Å; F1436-L1458 HydrophobicContact CE2-CD2 4.32Å; F1436-L1458 HydrophobicContact CE2-CG 4.32Å; F1436-L1458 HydrophobicContact CG-CD2 4.31Å; F1436-L1458 HydrophobicContact CZ-CD1 3.91Å; C1439-L1458 HydrophobicContact CB-CD2 3.83Å; V1441-L1458 HydrophobicContact CG2-CD1 4.23Å; V1441-L1458 HydrophobicContact CG2-CD2 3.8Å; L1449-L1458 HydrophobicContact CD1-CD1 3.73Å; L1449-L1458 HydrophobicContact CD2-CD1 3.95Å; L1449-L1458 HydrophobicContact CG-CD1 4.42Å; D1453-L1458 PolarHBondContact O-N 2.92Å; L1454-L1458 HydrophobicContact CD2-CD1 4.16Å; L1454-L1458 CarbonylContact O-C 3.59Å; L1458-M1460 PolarHBondContact O-N 3.03Å; L1458-M1460 VanDerWaalsContact O-N 3.13Å
1459K93.6Very high93Very high105 Ų10558.2 Ų58.246%0.45728%0.277SS..  trans62.815.6170.2-51172.3-166133.40114.8Y1432 S1435 E1438 L1454 R1455 V1461Y1432-K1459 WeakPolarHBondContact CE1-O 3.26Å; S1435-K1459 WeakPolarHBondContact OG-CD 3.36Å; S1435-K1459 PolarHBondContact OG-NZ 3.39Å; E1438-K1459 IonicContact OE2-NZ 3.89Å; E1438-K1459 PolarHBondContact OE2-NZ 3.08Å; L1454-K1459 PolarHBondContact O-N 2.99Å; L1454-K1459 VanDerWaalsContact O-N 3.16Å; R1455-K1459 WeakPolarHBondContact O-CA 3.29Å; K1459-V1461 VanDerWaalsContact C-N 3.27Å; K1459-V1461 PolarHBondContact O-N 3.03Å
1460M94.4Very high93.1Very high1 Ų161.7 Ų61.71%0.00529%0.289CS..  trans-79.868.8176-58.3-171.574.300111.4L1429 Y1432 F1436 L1454 L1458 D1462 H1465 R1466 L1469L1429-M1460 HydrophobicContact CD1-CE 4.14Å; Y1432-M1460 HydrophobicContact CD1-CG 3.65Å; Y1432-M1460 HydrophobicContact CD2-CE 3.87Å; Y1432-M1460 HydrophobicContact CD2-CG 4.03Å; Y1432-M1460 HydrophobicContact CD2-SD 4.35Å; Y1432-M1460 HydrophobicContact CE1-CB 4.29Å; Y1432-M1460 HydrophobicContact CE1-CG 3.74Å; Y1432-M1460 HydrophobicContact CE2-CE 3.9Å; Y1432-M1460 HydrophobicContact CE2-CG 4.09Å; Y1432-M1460 HydrophobicContact CG-CE 4.49Å; Y1432-M1460 HydrophobicContact CG-CG 3.82Å; Y1432-M1460 HydrophobicContact CG-SD 4.39Å; F1436-M1460 HydrophobicContact CE2-CG 4.45Å; F1436-M1460 HydrophobicContact CE2-SD 3.73Å; F1436-M1460 HydrophobicContact CZ-SD 3.89Å; L1454-M1460 HydrophobicContact CB-CB 4.48Å; L1454-M1460 HydrophobicContact CD2-SD 3.96Å; L1454-M1460 WeakPolarHBondContact O-CA 3.4Å; L1454-M1460 WeakPolarHBondContact O-CB 3.4Å; L1454-M1460 PolarHBondContact O-N 2.65Å; L1458-M1460 PolarHBondContact O-N 3.03Å; L1458-M1460 VanDerWaalsContact O-N 3.13Å; M1460-D1462 VanDerWaalsContact C-N 3.33Å; M1460-H1465 HydrophobicContact CE-CB 3.81Å; M1460-H1465 WeakPolarHBondContact CE-O 3.28Å; M1460-R1466 HydrophobicContact CB-CG 4.12Å; M1460-R1466 PolarHBondContact O-NH1 2.9Å; M1460-L1469 HydrophobicContact CE-CB 4.12Å; M1460-L1469 HydrophobicContact CE-CD2 4.28Å; M1460-L1469 HydrophobicContact SD-CD2 3.83Å
1461V91.3Very high93.3Very high112 Ų11259.6 Ų59.668%0.67927%0.273SS*.  trans-69.3-31.8177-178.20000112K1459 R1466K1459-V1461 VanDerWaalsContact C-N 3.27Å; K1459-V1461 PolarHBondContact O-N 3.03Å; V1461-R1466 PolarHBondContact O-NH1 3.44Å
1462D91.7Very high93.5Very high69 Ų6954.8 Ų54.837%0.36925%0.252SS..  trans-64.3137.2176.7-166.3-46.6000112.3M1460 F1464 H1465 R1466M1460-D1462 VanDerWaalsContact C-N 3.33Å; D1462-F1464 WeakPolarHBondContact OD1-CA 3.19Å; D1462-F1464 WeakPolarHBondContact OD1-CB 3.42Å; D1462-F1464 PolarHBondContact OD1-N 2.83Å; D1462-H1465 HydrophobicContact CB-CB 4.08Å; D1462-H1465 VanDerWaalsContact CB-ND1 3.34Å; D1462-H1465 WeakPolarHBondContact CB-ND1 3.4Å; D1462-H1465 PolarHBondContact OD1-N 3.49Å; D1462-H1465 IonicContact OD2-CE1 3.74Å; D1462-H1465 PolarHBondContact OD2-CE1 2.76Å; D1462-H1465 IonicContact OD2-ND1 2.72Å; D1462-H1465 PolarHBondContact OD2-ND1 2.7Å; D1462-R1466 WeakPolarHBondContact O-CG 3.28Å; D1462-R1466 PolarHBondContact O-NH1 3.48Å; D1462-R1466 VanDerWaalsContact O-NH1 3.12Å
1463Q90.9Very high93.8Very high150 Ų15050 Ų5070%0.70124%0.235SC*.Hα-helixtrans-78-38.9177.5179.3160-3500113.1R1466 L1467Q1463-R1466 PolarHBondContact O-N 3.01Å; Q1463-L1467 PolarHBondContact O-N 2.97Å
1464F92.9Very high93.5Very high55 Ų5550.7 Ų50.724%0.24124%0.238CC..Hα-helixtrans-66.4-41.5179.7-172.8-109.1000110.9D1462 R1466 L1467 S1468 S1527 V1529 L1533 F1540 I1548D1462-F1464 WeakPolarHBondContact OD1-CA 3.19Å; D1462-F1464 WeakPolarHBondContact OD1-CB 3.42Å; D1462-F1464 PolarHBondContact OD1-N 2.83Å; F1464-R1466 VanDerWaalsContact C-N 3.3Å; F1464-R1466 PolarHBondContact O-N 2.86Å; F1464-L1467 PolarHBondContact O-N 2.77Å; F1464-S1468 WeakPolarHBondContact O-CB 3.39Å; F1464-S1468 PolarHBondContact O-N 3.2Å; F1464-S1527 WeakPolarHBondContact CD1-O 3.45Å; F1464-S1527 VanDerWaalsContact CE1-O 3.23Å; F1464-S1527 WeakPolarHBondContact CE1-O 3.48Å; F1464-V1529 HydrophobicContact CE1-CG2 4.17Å; F1464-V1529 HydrophobicContact CZ-CG2 4.19Å; F1464-L1533 HydrophobicContact CE1-CD2 4.41Å; F1464-L1533 HydrophobicContact CE2-CD2 4.17Å; F1464-L1533 HydrophobicContact CZ-CD2 3.65Å; F1464-F1540 HydrophobicContact CZ-CE2 4.49Å; F1464-I1548 HydrophobicContact CE1-CD1 3.91Å; F1464-I1548 HydrophobicContact CE2-CD1 4.07Å; F1464-I1548 HydrophobicContact CZ-CD1 3.4Å; F1464-I1548 VanDerWaalsContact CZ-CD1 3.4Å; F1464-I1548 HydrophobicContact CZ-CG1 4.41Å
1465H96.2Very high93.3Very high9 Ų950 Ų504%0.04224%0.235CC..Hα-helixtrans-64.4-31.7174.3-62.2143.6000113.3L1429 Y1432 M1460 D1462 L1469 D1526L1429-H1465 HydrophobicContact CD2-CB 3.83Å; Y1432-H1465 HydrophobicContact CE2-CB 3.83Å; Y1432-H1465 AromaticContact CE2-CG 3.82Å; Y1432-H1465 AromaticContact CE2-ND1 3.68Å; Y1432-H1465 AromaticContact CZ-ND1 3.83Å; Y1432-H1465 PolarHBondContact OH-ND1 3.21Å; Y1432-H1465 VanDerWaalsContact OH-ND1 3.08Å; M1460-H1465 HydrophobicContact CE-CB 3.81Å; M1460-H1465 WeakPolarHBondContact CE-O 3.28Å; D1462-H1465 HydrophobicContact CB-CB 4.08Å; D1462-H1465 VanDerWaalsContact CB-ND1 3.34Å; D1462-H1465 WeakPolarHBondContact CB-ND1 3.4Å; D1462-H1465 PolarHBondContact OD1-N 3.49Å; D1462-H1465 IonicContact OD2-CE1 3.74Å; D1462-H1465 PolarHBondContact OD2-CE1 2.76Å; D1462-H1465 IonicContact OD2-ND1 2.72Å; D1462-H1465 PolarHBondContact OD2-ND1 2.7Å; H1465-L1469 WeakPolarHBondContact O-CB 3.48Å; H1465-L1469 PolarHBondContact O-N 2.99Å; H1465-D1526 PolarHBondContact NE2-O 3.37Å
1466R95.1Very high93.3Very high42 Ų4245 Ų4516%0.15822%0.217CC..Hα-helixtrans-70.2-39.3172.6-72.9-171.5-56.8-91.4-2.7112.1L1454 M1460 V1461 D1462 Q1463 F1464 L1469 Y1470L1454-R1466 HydrophobicContact CB-CG 4.46Å; L1454-R1466 HydrophobicContact CD1-CG 4.27Å; M1460-R1466 HydrophobicContact CB-CG 4.12Å; M1460-R1466 PolarHBondContact O-NH1 2.9Å; V1461-R1466 PolarHBondContact O-NH1 3.44Å; D1462-R1466 WeakPolarHBondContact O-CG 3.28Å; D1462-R1466 PolarHBondContact O-NH1 3.48Å; D1462-R1466 VanDerWaalsContact O-NH1 3.12Å; Q1463-R1466 PolarHBondContact O-N 3.01Å; F1464-R1466 VanDerWaalsContact C-N 3.3Å; F1464-R1466 PolarHBondContact O-N 2.86Å; R1466-L1469 PolarHBondContact O-N 3.33Å; R1466-Y1470 WeakPolarHBondContact O-CB 3.37Å; R1466-Y1470 PolarHBondContact O-N 2.93Å
1467L93.7Very high93.2Very high61 Ų6145.9 Ų45.932%0.31922%0.217SC..Hα-helixtrans-65.2-44.5175.6-173.263.1000111.3Q1463 F1464 L1469 Y1470 Y1471Q1463-L1467 PolarHBondContact O-N 2.97Å; F1464-L1467 PolarHBondContact O-N 2.77Å; L1467-L1469 PolarHBondContact O-N 3.26Å; L1467-Y1470 WeakPolarHBondContact O-CB 3.37Å; L1467-Y1470 PolarHBondContact O-N 2.82Å; L1467-Y1471 HydrophobicContact CD1-CD2 4.07Å; L1467-Y1471 HydrophobicContact CD1-CE2 3.42Å; L1467-Y1471 VanDerWaalsContact CD1-CE2 3.42Å; L1467-Y1471 HydrophobicContact CD2-CE2 4.26Å; L1467-Y1471 HydrophobicContact CG-CD2 3.98Å; L1467-Y1471 HydrophobicContact CG-CE2 3.59Å; L1467-Y1471 VanDerWaalsContact O-CD2 3.27Å; L1467-Y1471 WeakPolarHBondContact O-CD2 3.38Å; L1467-Y1471 PolarHBondContact O-N 2.84Å
1468S95.2Very high92.8Very high0 Ų047.5 Ų47.50%022%0.221CC..Hα-helixtrans-52.9-51.2168.9162.80000111.9F1464 Y1470 Y1471 G1472 G1528 H1530F1464-S1468 WeakPolarHBondContact O-CB 3.39Å; F1464-S1468 PolarHBondContact O-N 3.2Å; S1468-Y1470 VanDerWaalsContact C-N 3.31Å; S1468-Y1470 PolarHBondContact O-N 2.81Å; S1468-Y1471 PolarHBondContact O-N 3.24Å; S1468-G1472 PolarHBondContact O-N 3.42Å; S1468-G1528 WeakPolarHBondContact CB-O 3.42Å; S1468-G1528 WeakPolarHBondContact OG-CA 3.36Å; S1468-G1528 PolarHBondContact OG-O 2.91Å; S1468-H1530 PolarHBondContact O-CE1 3.5Å; S1468-H1530 PolarHBondContact OG-CE1 2.9Å
1469L96.6Very high92.4Very high3 Ų347.9 Ų47.92%0.01622%0.223CC..Hα-helixtrans-60.4-42.2178.3-177.970.4000111.6W1423 L1424 L1427 L1429 F1436 L1454 M1460 H1465 R1466 L1467 G1472 I1473W1423-L1469 HydrophobicContact CH2-CD1 3.62Å; W1423-L1469 HydrophobicContact CZ3-CD1 3.63Å; L1424-L1469 HydrophobicContact CD1-CD1 4.46Å; L1427-L1469 HydrophobicContact CD1-CD1 4.23Å; L1429-L1469 HydrophobicContact CD1-CB 4.15Å; L1429-L1469 HydrophobicContact CD1-CD1 4.49Å; F1436-L1469 HydrophobicContact CZ-CD1 4.35Å; F1436-L1469 HydrophobicContact CZ-CD2 3.95Å; L1454-L1469 HydrophobicContact CD2-CD2 3.48Å; L1454-L1469 VanDerWaalsContact CD2-CD2 3.48Å; M1460-L1469 HydrophobicContact CE-CB 4.12Å; M1460-L1469 HydrophobicContact CE-CD2 4.28Å; M1460-L1469 HydrophobicContact SD-CD2 3.83Å; H1465-L1469 WeakPolarHBondContact O-CB 3.48Å; H1465-L1469 PolarHBondContact O-N 2.99Å; R1466-L1469 PolarHBondContact O-N 3.33Å; L1467-L1469 PolarHBondContact O-N 3.26Å; L1469-G1472 PolarHBondContact O-N 2.87Å; L1469-I1473 HydrophobicContact CD2-CD1 4.48Å; L1469-I1473 HydrophobicContact CG-CD1 4.01Å; L1469-I1473 HydrophobicContact CG-CG1 4.5Å; L1469-I1473 VanDerWaalsContact O-CG1 3.29Å; L1469-I1473 WeakPolarHBondContact O-CG1 3.46Å; L1469-I1473 PolarHBondContact O-N 3.19Å
1470Y94.1Very high91.8Very high93 Ų9349.2 Ų49.237%0.36524%0.235SC..Hα-helixtrans-58.2-49.3177.7172.3-96.6000112.2R1466 L1467 S1468 G1472 I1473 M1474 P1604R1466-Y1470 WeakPolarHBondContact O-CB 3.37Å; R1466-Y1470 PolarHBondContact O-N 2.93Å; L1467-Y1470 WeakPolarHBondContact O-CB 3.37Å; L1467-Y1470 PolarHBondContact O-N 2.82Å; S1468-Y1470 VanDerWaalsContact C-N 3.31Å; S1468-Y1470 PolarHBondContact O-N 2.81Å; Y1470-G1472 VanDerWaalsContact C-N 3.32Å; Y1470-G1472 PolarHBondContact O-N 3.32Å; Y1470-I1473 WeakPolarHBondContact O-CB 3.39Å; Y1470-I1473 PolarHBondContact O-N 2.96Å; Y1470-I1473 VanDerWaalsContact O-N 3.09Å; Y1470-M1474 HydrophobicContact CD1-CG 4.45Å; Y1470-M1474 HydrophobicContact CD1-SD 4.07Å; Y1470-M1474 HydrophobicContact CE1-CG 4.07Å; Y1470-M1474 HydrophobicContact CE1-SD 3.34Å; Y1470-M1474 WeakPolarHBondContact CE1-SD 3.23Å; Y1470-M1474 PolarHBondContact O-N 3.45Å; Y1470-P1604 VanDerWaalsContact OH-CG 3.31Å; Y1470-P1604 WeakPolarHBondContact OH-CG 3.38Å
1471Y95.3Very high91.5Very high27 Ų2750.5 Ų50.511%0.10624%0.24CC..Hα-helixtrans-68-30.7176.3-68.4-59.9000113.2L1467 S1468 M1474 C1475 L1533 L1536 D1537L1467-Y1471 HydrophobicContact CD1-CD2 4.07Å; L1467-Y1471 HydrophobicContact CD1-CE2 3.42Å; L1467-Y1471 VanDerWaalsContact CD1-CE2 3.42Å; L1467-Y1471 HydrophobicContact CD2-CE2 4.26Å; L1467-Y1471 HydrophobicContact CG-CD2 3.98Å; L1467-Y1471 HydrophobicContact CG-CE2 3.59Å; L1467-Y1471 VanDerWaalsContact O-CD2 3.27Å; L1467-Y1471 WeakPolarHBondContact O-CD2 3.38Å; L1467-Y1471 PolarHBondContact O-N 2.84Å; S1468-Y1471 PolarHBondContact O-N 3.24Å; Y1471-M1474 HydrophobicContact CD1-SD 3.65Å; Y1471-M1474 HydrophobicContact CE1-SD 3.92Å; Y1471-M1474 PolarHBondContact O-N 2.77Å; Y1471-C1475 PolarHBondContact O-N 3.48Å; Y1471-L1533 HydrophobicContact CD2-CD1 3.52Å; Y1471-L1533 HydrophobicContact CE2-CD1 3.95Å; Y1471-L1536 HydrophobicContact CD1-CB 3.39Å; Y1471-L1536 HydrophobicContact CD1-CD1 4.02Å; Y1471-L1536 HydrophobicContact CD1-CG 4.35Å; Y1471-L1536 HydrophobicContact CE1-CB 3.65Å; Y1471-L1536 WeakPolarHBondContact CE1-O 3.27Å; Y1471-L1536 HydrophobicContact CG-CB 4.2Å; Y1471-D1537 HydrophobicContact CD2-CB 4.27Å; Y1471-D1537 HydrophobicContact CE2-CB 3.57Å
1472G94.7Very high91.2Very high0 Ų047.9 Ų47.90%022%0.222CC..Hα-helixtrans-60.1-42167.300000112.7S1468 L1469 Y1470 C1475 L1476S1468-G1472 PolarHBondContact O-N 3.42Å; L1469-G1472 PolarHBondContact O-N 2.87Å; Y1470-G1472 VanDerWaalsContact C-N 3.32Å; Y1470-G1472 PolarHBondContact O-N 3.32Å; G1472-C1475 WeakPolarHBondContact O-CB 3.46Å; G1472-C1475 PolarHBondContact O-N 3.35Å; G1472-L1476 PolarHBondContact O-N 2.97Å; G1472-L1476 VanDerWaalsContact O-N 3.14Å
1473I93.5Very high90.9Very high21 Ų2148.3 Ų48.311%0.10822%0.219CC..Hα-helixtrans-67.9-39.7175-64.3165.4000110.7W1423 L1446 L1469 Y1470 C1475 L1476 K1477W1423-I1473 HydrophobicContact CH2-CG1 3.86Å; W1423-I1473 HydrophobicContact CZ2-CG1 4.35Å; L1446-I1473 HydrophobicContact CB-CD1 4.03Å; L1446-I1473 HydrophobicContact CB-CG1 4.06Å; L1446-I1473 HydrophobicContact CD1-CG1 4.26Å; L1446-I1473 HydrophobicContact CD2-CD1 4.45Å; L1469-I1473 HydrophobicContact CD2-CD1 4.48Å; L1469-I1473 HydrophobicContact CG-CD1 4.01Å; L1469-I1473 HydrophobicContact CG-CG1 4.5Å; L1469-I1473 VanDerWaalsContact O-CG1 3.29Å; L1469-I1473 WeakPolarHBondContact O-CG1 3.46Å; L1469-I1473 PolarHBondContact O-N 3.19Å; Y1470-I1473 WeakPolarHBondContact O-CB 3.39Å; Y1470-I1473 PolarHBondContact O-N 2.96Å; Y1470-I1473 VanDerWaalsContact O-N 3.09Å; I1473-C1475 VanDerWaalsContact C-N 3.28Å; I1473-C1475 PolarHBondContact O-N 2.88Å; I1473-L1476 PolarHBondContact O-N 2.84Å; I1473-K1477 HydrophobicContact CG2-CD 4.42Å; I1473-K1477 HydrophobicContact CG2-CG 4.48Å; I1473-K1477 WeakPolarHBondContact O-CG 3.49Å; I1473-K1477 PolarHBondContact O-N 2.94Å
1474M89.1Confident90.6Very high35 Ų3544.8 Ų44.817%0.17221%0.211CC..Hα-helixtrans-60.9-37.3172.6-68.6-172.979.400112.1Y1470 Y1471 K1477 R1478 L1536Y1470-M1474 HydrophobicContact CD1-CG 4.45Å; Y1470-M1474 HydrophobicContact CD1-SD 4.07Å; Y1470-M1474 HydrophobicContact CE1-CG 4.07Å; Y1470-M1474 HydrophobicContact CE1-SD 3.34Å; Y1470-M1474 WeakPolarHBondContact CE1-SD 3.23Å; Y1470-M1474 PolarHBondContact O-N 3.45Å; Y1471-M1474 HydrophobicContact CD1-SD 3.65Å; Y1471-M1474 HydrophobicContact CE1-SD 3.92Å; Y1471-M1474 PolarHBondContact O-N 2.77Å; M1474-K1477 PolarHBondContact O-N 2.82Å; M1474-R1478 WeakPolarHBondContact O-CB 3.29Å; M1474-R1478 WeakPolarHBondContact O-CG 3.49Å; M1474-R1478 PolarHBondContact O-N 3.4Å; M1474-L1536 HydrophobicContact CB-CD1 3.82Å; M1474-L1536 HydrophobicContact SD-CD1 4.4Å
1475C92Very high90.2Very high6 Ų644.7 Ų44.74%0.04121%0.211CC..Hα-helixtrans-62.1-44.6173.9-169.20000111.5Y1471 G1472 I1473 R1478 L1479 L1501 A1532Y1471-C1475 PolarHBondContact O-N 3.48Å; G1472-C1475 WeakPolarHBondContact O-CB 3.46Å; G1472-C1475 PolarHBondContact O-N 3.35Å; I1473-C1475 VanDerWaalsContact C-N 3.28Å; I1473-C1475 PolarHBondContact O-N 2.88Å; C1475-R1478 PolarHBondContact O-N 2.81Å; C1475-L1479 WeakPolarHBondContact O-CG 3.45Å; C1475-L1479 PolarHBondContact O-N 3.02Å; C1475-L1501 PolarHBondContact SG-O 3.44Å; C1475-L1501 VanDerWaalsContact SG-O 3.33Å; C1475-A1532 HydrophobicContact CB-CB 3.7Å
1476L91.1Very high89.8Confident3 Ų344.3 Ų44.32%0.01621%0.209CC..Hα-helixtrans-63-43.2173.7-68.1-176.9000112.6W1418 W1423 L1446 G1472 I1473 R1478 L1479 D1480 Y1481 I1486W1418-L1476 HydrophobicContact CH2-CD2 4.1Å; W1418-L1476 HydrophobicContact CZ3-CD2 4.5Å; W1423-L1476 HydrophobicContact CD2-CD1 4.35Å; W1423-L1476 HydrophobicContact CH2-CD1 4.29Å; W1423-L1476 HydrophobicContact CZ2-CD1 3.49Å; W1423-L1476 VanDerWaalsContact CZ2-CD1 3.49Å; W1423-L1476 HydrophobicContact CZ2-CG 3.95Å; L1446-L1476 HydrophobicContact CD1-CD1 3.68Å; G1472-L1476 PolarHBondContact O-N 2.97Å; G1472-L1476 VanDerWaalsContact O-N 3.14Å; I1473-L1476 PolarHBondContact O-N 2.84Å; L1476-R1478 VanDerWaalsContact C-N 3.34Å; L1476-R1478 PolarHBondContact O-N 2.9Å; L1476-L1479 CarbonylContact O-C 3.58Å; L1476-L1479 PolarHBondContact O-N 3.27Å; L1476-L1479 VanDerWaalsContact O-N 3.1Å; L1476-D1480 PolarHBondContact O-N 3.47Å; L1476-Y1481 HydrophobicContact CB-CD1 3.83Å; L1476-Y1481 HydrophobicContact CB-CE1 3.88Å; L1476-Y1481 HydrophobicContact CB-CG 4.44Å; L1476-Y1481 HydrophobicContact CD1-CD1 4.13Å; L1476-Y1481 HydrophobicContact CD1-CE1 4.13Å; L1476-Y1481 PolarHBondContact O-N 3.44Å; L1476-I1486 HydrophobicContact CD2-CD1 3.95Å
1477K87.6Confident89.5Confident114 Ų11445.5 Ų45.550%0.49622%0.216SC..Hα-helixtrans-62.8-37.6177-74.7-175173.6-169.60112.7I1473 M1474 L1479 D1480 Y1481I1473-K1477 HydrophobicContact CG2-CD 4.42Å; I1473-K1477 HydrophobicContact CG2-CG 4.48Å; I1473-K1477 WeakPolarHBondContact O-CG 3.49Å; I1473-K1477 PolarHBondContact O-N 2.94Å; M1474-K1477 PolarHBondContact O-N 2.82Å; K1477-L1479 PolarHBondContact O-N 3.46Å; K1477-D1480 PolarHBondContact O-N 3.15Å; K1477-Y1481 WeakPolarHBondContact CE-OH 3.38Å; K1477-Y1481 HydrophobicContact CG-CE2 3.73Å; K1477-Y1481 WeakPolarHBondContact CG-OH 3.47Å
1478R85Confident89.4Confident91 Ų9148.6 Ų48.634%0.34322%0.224SC..THydrogen-bonded Turntrans-73.2-1.5174.9-74.8-177.7176.4-148.81.3114.1M1474 C1475 L1476 L1536M1474-R1478 WeakPolarHBondContact O-CB 3.29Å; M1474-R1478 WeakPolarHBondContact O-CG 3.49Å; M1474-R1478 PolarHBondContact O-N 3.4Å; C1475-R1478 PolarHBondContact O-N 2.81Å; L1476-R1478 VanDerWaalsContact C-N 3.34Å; L1476-R1478 PolarHBondContact O-N 2.9Å; R1478-L1536 VanDerWaalsContact CZ-CD2 3.43Å
1479L86.1Confident89.2Confident9 Ų951.3 Ų51.35%0.04723%0.234CC..THydrogen-bonded Turntrans-124.419.4177.1-61.1174.8000111.2C1475 L1476 K1477 Y1481 D1482 E1485 I1486 R1489 V1502C1475-L1479 WeakPolarHBondContact O-CG 3.45Å; C1475-L1479 PolarHBondContact O-N 3.02Å; L1476-L1479 CarbonylContact O-C 3.58Å; L1476-L1479 PolarHBondContact O-N 3.27Å; L1476-L1479 VanDerWaalsContact O-N 3.1Å; K1477-L1479 PolarHBondContact O-N 3.46Å; L1479-Y1481 PolarHBondContact O-N 2.88Å; L1479-D1482 PolarHBondContact O-N 3.5Å; L1479-E1485 HydrophobicContact CD2-CG 4.22Å; L1479-I1486 HydrophobicContact CD1-CB 3.72Å; L1479-I1486 HydrophobicContact CD1-CD1 4.07Å; L1479-I1486 HydrophobicContact CD1-CG1 3.83Å; L1479-R1489 VanDerWaalsContact CD2-NH1 3.25Å; L1479-V1502 HydrophobicContact CD1-CG1 4.18Å
1480D81.9Confident88.9Confident133 Ų13352.8 Ų52.871%0.71124%0.24SC*.THydrogen-bonded Turntrans50.726.1-179.1-60.3-44.2000115.1L1476 K1477 D1482L1476-D1480 PolarHBondContact O-N 3.47Å; K1477-D1480 PolarHBondContact O-N 3.15Å; D1480-D1482 PolarHBondContact O-N 3.35Å
1481Y86.7Confident88.7Confident27 Ų2755.4 Ų55.411%0.10626%0.255CS..THydrogen-bonded Turntrans54.927.1-169.7-61.5-99000114P1408 L1409 L1414 A1443 L1476 K1477 L1479 R1483P1408-Y1481 WeakPolarHBondContact CB-O 3.4Å; L1409-Y1481 HydrophobicContact CD1-CD2 4.34Å; L1409-Y1481 HydrophobicContact CD1-CG 4.22Å; L1409-Y1481 HydrophobicContact CD2-CD1 4.01Å; L1409-Y1481 HydrophobicContact CD2-CG 4.13Å; L1409-Y1481 HydrophobicContact CG-CG 4.4Å; L1414-Y1481 HydrophobicContact CD1-CD1 4.31Å; L1414-Y1481 WeakPolarHBondContact CD1-O 3.5Å; A1443-Y1481 HydrophobicContact CB-CD1 4.08Å; A1443-Y1481 HydrophobicContact CB-CE1 4.39Å; L1476-Y1481 HydrophobicContact CB-CD1 3.83Å; L1476-Y1481 HydrophobicContact CB-CE1 3.88Å; L1476-Y1481 HydrophobicContact CB-CG 4.44Å; L1476-Y1481 HydrophobicContact CD1-CD1 4.13Å; L1476-Y1481 HydrophobicContact CD1-CE1 4.13Å; L1476-Y1481 PolarHBondContact O-N 3.44Å; K1477-Y1481 WeakPolarHBondContact CE-OH 3.38Å; K1477-Y1481 HydrophobicContact CG-CE2 3.73Å; K1477-Y1481 WeakPolarHBondContact CG-OH 3.47Å; L1479-Y1481 PolarHBondContact O-N 2.88Å; Y1481-R1483 PolarHBondContact O-N 3.22Å
1482D84.8Confident88.3Confident58 Ų5857.1 Ų57.131%0.3128%0.275SS..  trans-75.9113.3170.8-175.7-0.3000111P1408 L1479 D1480 S1484 E1485 I1486P1408-D1482 HydrophobicContact CG-CB 4.42Å; L1479-D1482 PolarHBondContact O-N 3.5Å; D1480-D1482 PolarHBondContact O-N 3.35Å; D1482-S1484 WeakPolarHBondContact OD1-CA 3.5Å; D1482-S1484 WeakPolarHBondContact OD1-CB 3.44Å; D1482-S1484 PolarHBondContact OD1-N 2.8Å; D1482-E1485 HydrophobicContact CB-CB 3.95Å; D1482-E1485 PolarHBondContact OD1-N 3.17Å; D1482-I1486 PolarHBondContact O-N 3.27Å
1483R86.8Confident87.9Confident78 Ų7857.3 Ų57.329%0.29428%0.276SS..Hα-helixtrans-62.7-40.6174.9-171.2178.9162.8171.1-5.6112.7E1413 L1414 W1418 Y1481 I1486 E1487E1413-R1483 WeakPolarHBondContact O-CD 3.2Å; E1413-R1483 PolarHBondContact O-NH1 3.41Å; E1413-R1483 VanDerWaalsContact O-NH1 3.13Å; L1414-R1483 HydrophobicContact CD2-CB 3.62Å; L1414-R1483 HydrophobicContact CD2-CG 3.77Å; L1414-R1483 HydrophobicContact CG-CB 4.32Å; W1418-R1483 HydrophobicContact CZ2-CG 4.32Å; Y1481-R1483 PolarHBondContact O-N 3.22Å; R1483-I1486 VanDerWaalsContact O-CG2 3.29Å; R1483-I1486 WeakPolarHBondContact O-CG2 3.35Å; R1483-E1487 IonicContact CZ-OE1 2.98Å; R1483-E1487 IonicContact NE-OE1 2.72Å; R1483-E1487 PolarHBondContact NE-OE1 2.82Å; R1483-E1487 IonicContact NE-OE2 3.17Å; R1483-E1487 IonicContact NH2-OE1 2.9Å; R1483-E1487 PolarHBondContact NH2-OE1 3.42Å; R1483-E1487 VanDerWaalsContact NH2-OE1 3.1Å; R1483-E1487 IonicContact NH2-OE2 3.05Å; R1483-E1487 WeakPolarHBondContact O-CB 3.49Å; R1483-E1487 WeakPolarHBondContact O-CG 3.42Å; R1483-E1487 PolarHBondContact O-N 3.16Å; R1483-E1487 VanDerWaalsContact O-N 3.08Å
1484S84.9Confident87.4Confident76 Ų7660.8 Ų60.853%0.53129%0.292SS..Hα-helixtrans-68.2-40.6-176.8-55.60000110.3D1482 R1488D1482-S1484 WeakPolarHBondContact OD1-CA 3.5Å; D1482-S1484 WeakPolarHBondContact OD1-CB 3.44Å; D1482-S1484 PolarHBondContact OD1-N 2.8Å; S1484-R1488 WeakPolarHBondContact O-CB 3.4Å; S1484-R1488 PolarHBondContact O-N 3.29Å
1485E84.8Confident86.8Confident52 Ų5267.1 Ų67.124%0.24333%0.326CS..Hα-helixtrans-69.1-41.7178.9-17862.6-177.500112.6L1479 D1482 R1488 R1489L1479-E1485 HydrophobicContact CD2-CG 4.22Å; D1482-E1485 HydrophobicContact CB-CB 3.95Å; D1482-E1485 PolarHBondContact OD1-N 3.17Å; E1485-R1488 PolarHBondContact O-N 3.4Å; E1485-R1488 IonicContact OE1-CZ 3.4Å; E1485-R1488 IonicContact OE1-NE 2.7Å; E1485-R1488 IonicContact OE1-NH2 3.76Å; E1485-R1488 PolarHBondContact OE1-NH2 3.13Å; E1485-R1488 IonicContact OE2-CZ 3.46Å; E1485-R1488 IonicContact OE2-NE 3.4Å; E1485-R1488 PolarHBondContact OE2-NE 2.9Å; E1485-R1488 IonicContact OE2-NH2 2.72Å; E1485-R1488 PolarHBondContact OE2-NH2 3.03Å; E1485-R1489 HydrophobicContact CG-CG 4.35Å; E1485-R1489 WeakPolarHBondContact O-CB 3.45Å; E1485-R1489 VanDerWaalsContact O-CG 3.27Å; E1485-R1489 WeakPolarHBondContact O-CG 3.21Å; E1485-R1489 PolarHBondContact O-N 3.1Å; E1485-R1489 VanDerWaalsContact OE1-CD 3.26Å; E1485-R1489 WeakPolarHBondContact OE1-CD 3.49Å; E1485-R1489 WeakPolarHBondContact OE1-CG 3.37Å
1486I87.2Confident86.2Confident1 Ų168.3 Ų68.31%0.00534%0.335CS..Hα-helixtrans-66.9-38.8175.5-168.1170.2000112.2W1418 L1476 L1479 D1482 R1483 R1490W1418-I1486 HydrophobicContact CZ2-CG2 4.26Å; L1476-I1486 HydrophobicContact CD2-CD1 3.95Å; L1479-I1486 HydrophobicContact CD1-CB 3.72Å; L1479-I1486 HydrophobicContact CD1-CD1 4.07Å; L1479-I1486 HydrophobicContact CD1-CG1 3.83Å; D1482-I1486 PolarHBondContact O-N 3.27Å; R1483-I1486 VanDerWaalsContact O-CG2 3.29Å; R1483-I1486 WeakPolarHBondContact O-CG2 3.35Å; I1486-R1490 VanDerWaalsContact O-CB 3.29Å; I1486-R1490 WeakPolarHBondContact O-CB 3.34Å; I1486-R1490 WeakPolarHBondContact O-CD 3.43Å; I1486-R1490 WeakPolarHBondContact O-CG 3.3Å; I1486-R1490 PolarHBondContact O-N 3.02Å; I1486-R1490 VanDerWaalsContact O-N 3.1Å
1487E88.6Confident85.8Confident67 Ų6771.5 Ų71.531%0.31335%0.351SS..Hα-helixtrans-66.4-47.2175.6-71.4175.2-175.900110.2W1418 R1483 R1489 R1490 E1491W1418-E1487 PolarHBondContact NE1-OE1 2.93Å; W1418-E1487 VanDerWaalsContact NE1-OE1 3.1Å; R1483-E1487 IonicContact CZ-OE1 2.98Å; R1483-E1487 IonicContact NE-OE1 2.72Å; R1483-E1487 PolarHBondContact NE-OE1 2.82Å; R1483-E1487 IonicContact NE-OE2 3.17Å; R1483-E1487 IonicContact NH2-OE1 2.9Å; R1483-E1487 PolarHBondContact NH2-OE1 3.42Å; R1483-E1487 VanDerWaalsContact NH2-OE1 3.1Å; R1483-E1487 IonicContact NH2-OE2 3.05Å; R1483-E1487 WeakPolarHBondContact O-CB 3.49Å; R1483-E1487 WeakPolarHBondContact O-CG 3.42Å; R1483-E1487 PolarHBondContact O-N 3.16Å; R1483-E1487 VanDerWaalsContact O-N 3.08Å; E1487-R1489 PolarHBondContact O-N 3.22Å; E1487-R1490 PolarHBondContact O-N 2.85Å; E1487-E1491 WeakPolarHBondContact O-CG 3.36Å; E1487-E1491 PolarHBondContact O-N 3.36Å
1488R90.9Very high85.6Confident127 Ų12770.7 Ų70.748%0.47935%0.353SS..Hα-helixtrans-60.2-45.8176.7-172.7-16571.376.3-1.7113.7S1484 E1485 E1491 A1492S1484-R1488 WeakPolarHBondContact O-CB 3.4Å; S1484-R1488 PolarHBondContact O-N 3.29Å; E1485-R1488 PolarHBondContact O-N 3.4Å; E1485-R1488 IonicContact OE1-CZ 3.4Å; E1485-R1488 IonicContact OE1-NE 2.7Å; E1485-R1488 IonicContact OE1-NH2 3.76Å; E1485-R1488 PolarHBondContact OE1-NH2 3.13Å; E1485-R1488 IonicContact OE2-CZ 3.46Å; E1485-R1488 IonicContact OE2-NE 3.4Å; E1485-R1488 PolarHBondContact OE2-NE 2.9Å; E1485-R1488 IonicContact OE2-NH2 2.72Å; E1485-R1488 PolarHBondContact OE2-NH2 3.03Å; R1488-E1491 PolarHBondContact O-N 2.97Å; R1488-A1492 PolarHBondContact O-N 3.16Å; R1488-A1492 VanDerWaalsContact O-N 3.13Å
1489R91.1Very high85.6Confident57 Ų5767.7 Ų67.722%0.21534%0.344CS..Hα-helixtrans-65.5-41.4178.2-71.1174.572.8149.5-5.9110.8L1479 E1485 E1487 E1491 A1492 C1493 D1499 V1502L1479-R1489 VanDerWaalsContact CD2-NH1 3.25Å; E1485-R1489 HydrophobicContact CG-CG 4.35Å; E1485-R1489 WeakPolarHBondContact O-CB 3.45Å; E1485-R1489 VanDerWaalsContact O-CG 3.27Å; E1485-R1489 WeakPolarHBondContact O-CG 3.21Å; E1485-R1489 PolarHBondContact O-N 3.1Å; E1485-R1489 VanDerWaalsContact OE1-CD 3.26Å; E1485-R1489 WeakPolarHBondContact OE1-CD 3.49Å; E1485-R1489 WeakPolarHBondContact OE1-CG 3.37Å; E1487-R1489 PolarHBondContact O-N 3.22Å; R1489-E1491 PolarHBondContact O-N 2.66Å; R1489-A1492 PolarHBondContact O-N 2.87Å; R1489-C1493 PolarHBondContact O-N 2.69Å; R1489-C1493 VanDerWaalsContact O-N 3.08Å; R1489-C1493 PolarHBondContact O-SG 3.36Å; R1489-D1499 IonicContact CZ-OD1 2.67Å; R1489-D1499 IonicContact CZ-OD2 2.65Å; R1489-D1499 VanDerWaalsContact CZ-OD2 3.29Å; R1489-D1499 IonicContact NE-OD1 3.45Å; R1489-D1499 IonicContact NE-OD2 2.65Å; R1489-D1499 PolarHBondContact NE-OD2 2.85Å; R1489-D1499 IonicContact NH2-OD1 3.3Å; R1489-D1499 PolarHBondContact NH2-OD1 2.81Å; R1489-D1499 IonicContact NH2-OD2 2.68Å; R1489-D1499 PolarHBondContact NH2-OD2 3.18Å; R1489-V1502 HydrophobicContact CB-CB 4.35Å; R1489-V1502 HydrophobicContact CB-CG1 3.98Å; R1489-V1502 HydrophobicContact CB-CG2 3.93Å
1490R91.6Very high85.8Confident34 Ų3467.4 Ų67.413%0.12834%0.342CS..Hα-helixtrans-61.3-40.7175.5-78.3172168.5-171.3-8.5112.7S1426 I1486 E1487 C1493 Q1494 V1502S1426-R1490 VanDerWaalsContact CB-NH1 3.33Å; S1426-R1490 PolarHBondContact OG-NH1 3.5Å; S1426-R1490 PolarHBondContact OG-NH2 2.81Å; I1486-R1490 VanDerWaalsContact O-CB 3.29Å; I1486-R1490 WeakPolarHBondContact O-CB 3.34Å; I1486-R1490 WeakPolarHBondContact O-CD 3.43Å; I1486-R1490 WeakPolarHBondContact O-CG 3.3Å; I1486-R1490 PolarHBondContact O-N 3.02Å; I1486-R1490 VanDerWaalsContact O-N 3.1Å; E1487-R1490 PolarHBondContact O-N 2.85Å; R1490-C1493 PolarHBondContact O-N 2.9Å; R1490-Q1494 PolarHBondContact O-N 3.38Å; R1490-V1502 HydrophobicContact CG-CB 4.15Å; R1490-V1502 HydrophobicContact CG-CG2 4.15Å; R1490-V1502 VanDerWaalsContact CG-O 3.3Å; R1490-V1502 WeakPolarHBondContact CG-O 3.24Å; R1490-V1502 PolarHBondContact NE-O 3.14Å
1491E89Confident86.3Confident147 Ų14761.9 Ų61.969%0.68731%0.312SS*.Hα-helixtrans-61.5-46.4174.1-73.6-178.5169.300112.2E1487 R1488 R1489 C1493 Q1494E1487-E1491 WeakPolarHBondContact O-CG 3.36Å; E1487-E1491 PolarHBondContact O-N 3.36Å; R1488-E1491 PolarHBondContact O-N 2.97Å; R1489-E1491 PolarHBondContact O-N 2.66Å; E1491-C1493 PolarHBondContact O-N 3.39Å; E1491-Q1494 WeakPolarHBondContact O-CG 3.34Å; E1491-Q1494 PolarHBondContact O-N 3.31Å
1492A86.9Confident86.5Confident64 Ų6460.7 Ų60.753%0.52931%0.308SS..Hα-helixtrans-61.5-27.3176.400000113.6R1488 R1489 S1496R1488-A1492 PolarHBondContact O-N 3.16Å; R1488-A1492 VanDerWaalsContact O-N 3.13Å; R1489-A1492 PolarHBondContact O-N 2.87Å; A1492-S1496 PolarHBondContact O-OG 3.4Å
1493C86.7Confident87Confident3 Ų358 Ų582%0.0229%0.293CS..Hα-helixtrans-82.4-13.3179.1-66.10000114.7R1489 R1490 E1491 N1495 S1496 N1498 V1502 R1507R1489-C1493 PolarHBondContact O-N 2.69Å; R1489-C1493 VanDerWaalsContact O-N 3.08Å; R1489-C1493 PolarHBondContact O-SG 3.36Å; R1490-C1493 PolarHBondContact O-N 2.9Å; E1491-C1493 PolarHBondContact O-N 3.39Å; C1493-N1495 VanDerWaalsContact C-N 3.33Å; C1493-N1495 PolarHBondContact O-N 2.98Å; C1493-S1496 PolarHBondContact O-N 2.88Å; C1493-S1496 VanDerWaalsContact O-O 3.05Å; C1493-N1498 PolarHBondContact SG-O 3.17Å; C1493-V1502 HydrophobicContact CB-CG2 4.49Å; C1493-R1507 PolarHBondContact O-NE 3.25Å; C1493-R1507 PolarHBondContact O-NH2 2.89Å
1494Q82.9Confident87.4Confident95 Ų9554.9 Ų54.944%0.44428%0.284SS..THydrogen-bonded Turntrans-58.3-43.7-172.1-67.1-63.6-7.700113R1490 E1491 R1507R1490-Q1494 PolarHBondContact O-N 3.38Å; E1491-Q1494 WeakPolarHBondContact O-CG 3.34Å; E1491-Q1494 PolarHBondContact O-N 3.31Å; Q1494-R1507 PolarHBondContact O-NE 3.38Å
1495N76.9Confident87.9Confident167 Ų16751.7 Ų51.789%0.89326%0.261SS*.THydrogen-bonded Turntrans-108.75-175.2-61.2-32.7000113.7C1493C1493-N1495 VanDerWaalsContact C-N 3.33Å; C1493-N1495 PolarHBondContact O-N 2.98Å
1496S79.8Confident88.4Confident31 Ų3154.1 Ų54.122%0.21728%0.275CS..SBendtrans-120.2161-179.167.70000111.1A1492 C1493 N1498 R1507A1492-S1496 PolarHBondContact O-OG 3.4Å; C1493-S1496 PolarHBondContact O-N 2.88Å; C1493-S1496 VanDerWaalsContact O-O 3.05Å; S1496-N1498 VanDerWaalsContact C-N 3.29Å; S1496-R1507 PolarHBondContact O-NH2 2.72Å
1497L81.7Confident88.7Confident70 Ų7054.9 Ų54.937%0.36628%0.278SS..SBendtrans-98.827.1173.9-61.6179.3000111.8W1503 L1569L1497-W1503 HydrophobicContact CD2-CH2 3.96Å; L1497-W1503 HydrophobicContact CD2-CZ2 4.38Å; L1497-L1569 HydrophobicContact CB-CD2 4.09Å; L1497-L1569 HydrophobicContact CD2-CD2 4.33Å
1498N82.5Confident89Confident98 Ų9851.7 Ų51.752%0.52426%0.263SS..  trans-99.2165.1-175.1-59.70.6000110.5C1493 S1496 L1500 W1503C1493-N1498 PolarHBondContact SG-O 3.17Å; S1496-N1498 VanDerWaalsContact C-N 3.29Å; N1498-L1500 PolarHBondContact O-N 2.76Å; N1498-W1503 PolarHBondContact O-NE1 3.48Å
1499D86.2Confident89.2Confident28 Ų2846.4 Ų46.415%0.1524%0.244CC..  trans45.659.9170.6-173.326.9000114.2R1489 L1501 V1502 W1503 Y1573R1489-D1499 IonicContact CZ-OD1 2.67Å; R1489-D1499 IonicContact CZ-OD2 2.65Å; R1489-D1499 VanDerWaalsContact CZ-OD2 3.29Å; R1489-D1499 IonicContact NE-OD1 3.45Å; R1489-D1499 IonicContact NE-OD2 2.65Å; R1489-D1499 PolarHBondContact NE-OD2 2.85Å; R1489-D1499 IonicContact NH2-OD1 3.3Å; R1489-D1499 PolarHBondContact NH2-OD1 2.81Å; R1489-D1499 IonicContact NH2-OD2 2.68Å; R1489-D1499 PolarHBondContact NH2-OD2 3.18Å; D1499-L1501 PolarHBondContact O-N 3Å; D1499-L1501 VanDerWaalsContact O-N 3.12Å; D1499-V1502 PolarHBondContact O-N 2.84Å; D1499-W1503 PolarHBondContact O-NE1 3.1Å; D1499-Y1573 WeakPolarHBondContact CA-OH 3.24Å; D1499-Y1573 PolarHBondContact N-OH 2.81Å
1500L90.5Very high89.3Confident2 Ų246 Ų461%0.0125%0.252CS..G310 helixtrans-58.7-27.2-177.1-17760.1000112.4N1498 V1502 W1503 G1531 M1534 V1535 L1569 L1570 Y1573N1498-L1500 PolarHBondContact O-N 2.76Å; L1500-V1502 PolarHBondContact O-N 3.2Å; L1500-V1502 VanDerWaalsContact O-N 3.12Å; L1500-W1503 HydrophobicContact CD1-CB 4.42Å; L1500-W1503 HydrophobicContact CD1-CD2 3.45Å; L1500-W1503 VanDerWaalsContact CD1-CD2 3.45Å; L1500-W1503 HydrophobicContact CD1-CE3 3.45Å; L1500-W1503 VanDerWaalsContact CD1-CE3 3.45Å; L1500-W1503 HydrophobicContact CD1-CG 3.92Å; L1500-W1503 HydrophobicContact CD1-CH2 4.06Å; L1500-W1503 HydrophobicContact CD1-CZ2 4.07Å; L1500-W1503 HydrophobicContact CD1-CZ3 3.77Å; L1500-W1503 PolarHBondContact O-N 3.4Å; L1500-G1531 CarbonylContact O-C 3.59Å; L1500-G1531 WeakPolarHBondContact O-CA 3.42Å; L1500-M1534 HydrophobicContact CD1-SD 4.5Å; L1500-M1534 HydrophobicContact CD2-CB 4.43Å; L1500-V1535 HydrophobicContact CB-CG2 3.69Å; L1500-V1535 HydrophobicContact CD2-CG2 3.59Å; L1500-V1535 HydrophobicContact CG-CG2 3.53Å; L1500-L1569 HydrophobicContact CD2-CB 4.23Å; L1500-L1570 HydrophobicContact CD2-CD2 3.75Å; L1500-Y1573 HydrophobicContact CB-CE2 3.89Å; L1500-Y1573 PolarHBondContact N-OH 3.17Å; L1500-Y1573 VanDerWaalsContact N-OH 3.11Å
1501L91.1Very high89.4Confident18 Ų1844.4 Ų44.49%0.09425%0.247CC..G310 helixtrans-52.7-34.7-178.7178.963.5000113.8C1475 D1499 A1532 L1536C1475-L1501 PolarHBondContact SG-O 3.44Å; C1475-L1501 VanDerWaalsContact SG-O 3.33Å; D1499-L1501 PolarHBondContact O-N 3Å; D1499-L1501 VanDerWaalsContact O-N 3.12Å; L1501-A1532 HydrophobicContact CD1-CB 4.18Å; L1501-A1532 WeakPolarHBondContact O-CB 3.49Å; L1501-A1532 PolarHBondContact O-N 3.33Å; L1501-L1536 HydrophobicContact CD1-CD1 3.97Å; L1501-L1536 HydrophobicContact CD1-CD2 4.03Å; L1501-L1536 HydrophobicContact CD1-CG 4Å
1502V92.6Very high89.7Confident1 Ų137.4 Ų37.41%0.00621%0.214CC..G310 helixtrans-95.8-8-174.3-56.10000114.5L1479 R1489 R1490 C1493 D1499 L1500 S1504L1479-V1502 HydrophobicContact CD1-CG1 4.18Å; R1489-V1502 HydrophobicContact CB-CB 4.35Å; R1489-V1502 HydrophobicContact CB-CG1 3.98Å; R1489-V1502 HydrophobicContact CB-CG2 3.93Å; R1490-V1502 HydrophobicContact CG-CB 4.15Å; R1490-V1502 HydrophobicContact CG-CG2 4.15Å; R1490-V1502 VanDerWaalsContact CG-O 3.3Å; R1490-V1502 WeakPolarHBondContact CG-O 3.24Å; R1490-V1502 PolarHBondContact NE-O 3.14Å; C1493-V1502 HydrophobicContact CB-CG2 4.49Å; D1499-V1502 PolarHBondContact O-N 2.84Å; L1500-V1502 PolarHBondContact O-N 3.2Å; L1500-V1502 VanDerWaalsContact O-N 3.12Å; V1502-S1504 PolarHBondContact O-N 2.94Å
1503W95Very high90Very high2 Ų239.3 Ų39.31%0.00821%0.21CC..  trans-59.8132.1-171.2-72.424.4000111.9L1497 N1498 D1499 L1500 R1507 V1508 W1511 G1531 L1569L1497-W1503 HydrophobicContact CD2-CH2 3.96Å; L1497-W1503 HydrophobicContact CD2-CZ2 4.38Å; N1498-W1503 PolarHBondContact O-NE1 3.48Å; D1499-W1503 PolarHBondContact O-NE1 3.1Å; L1500-W1503 HydrophobicContact CD1-CB 4.42Å; L1500-W1503 HydrophobicContact CD1-CD2 3.45Å; L1500-W1503 VanDerWaalsContact CD1-CD2 3.45Å; L1500-W1503 HydrophobicContact CD1-CE3 3.45Å; L1500-W1503 VanDerWaalsContact CD1-CE3 3.45Å; L1500-W1503 HydrophobicContact CD1-CG 3.92Å; L1500-W1503 HydrophobicContact CD1-CH2 4.06Å; L1500-W1503 HydrophobicContact CD1-CZ2 4.07Å; L1500-W1503 HydrophobicContact CD1-CZ3 3.77Å; L1500-W1503 PolarHBondContact O-N 3.4Å; W1503-R1507 HydrophobicContact CB-CB 4.13Å; W1503-R1507 HydrophobicContact CB-CG 3.93Å; W1503-R1507 HydrophobicContact CD2-CG 3.57Å; W1503-R1507 HydrophobicContact CE3-CG 3.8Å; W1503-R1507 HydrophobicContact CG-CB 4.37Å; W1503-R1507 HydrophobicContact CG-CG 3.63Å; W1503-V1508 HydrophobicContact CE3-CG2 4.25Å; W1503-W1511 HydrophobicContact CH2-CB 4.36Å; W1503-W1511 HydrophobicContact CH2-CG 4.32Å; W1503-W1511 HydrophobicContact CZ3-CB 3.75Å; W1503-W1511 HydrophobicContact CZ3-CD2 4.42Å; W1503-W1511 AromaticContact CZ3-CG 3.92Å; W1503-W1511 HydrophobicContact CZ3-CG 3.92Å; W1503-G1531 PolarHBondContact O-N 3.15Å; W1503-L1569 HydrophobicContact CH2-CD1 3.83Å; W1503-L1569 HydrophobicContact CH2-CD2 4.06Å; W1503-L1569 HydrophobicContact CZ3-CD1 4Å
1504S94.9Very high90.2Very high13 Ų1343.3 Ų43.39%0.09124%0.238CC..  trans-75.4163.817161.50000112.1S1426 V1502 D1506 R1507 V1508S1426-S1504 CarbonylContact O-C 3.54Å; S1426-S1504 WeakPolarHBondContact O-CA 3.42Å; S1426-S1504 WeakPolarHBondContact O-CB 3.43Å; V1502-S1504 PolarHBondContact O-N 2.94Å; S1504-D1506 VanDerWaalsContact C-N 3.26Å; S1504-D1506 PolarHBondContact O-N 3.39Å; S1504-R1507 WeakPolarHBondContact O-CA 3.48Å; S1504-R1507 WeakPolarHBondContact O-CB 3.32Å; S1504-R1507 PolarHBondContact O-N 3.35Å; S1504-R1507 PolarHBondContact OG-N 3.4Å; S1504-V1508 PolarHBondContact O-N 2.78Å
1505N96.2Very high90.6Very high9 Ų939.6 Ų39.65%0.04822%0.221CC..Hα-helixtrans-49.6-45.8167.7-178.6-102.6000111.6S1426 R1507 V1508 I1509 L1524 V1529S1426-N1505 PolarHBondContact O-N 3.11Å; N1505-R1507 VanDerWaalsContact C-N 3.3Å; N1505-R1507 PolarHBondContact O-N 3.47Å; N1505-V1508 PolarHBondContact O-N 2.74Å; N1505-I1509 VanDerWaalsContact O-CG1 3.31Å; N1505-I1509 WeakPolarHBondContact O-CG1 3.44Å; N1505-I1509 PolarHBondContact O-N 2.92Å; N1505-I1509 WeakPolarHBondContact OD1-CD1 3.36Å; N1505-L1524 PolarHBondContact ND2-O 3.45Å; N1505-V1529 WeakPolarHBondContact CB-O 3.1Å; N1505-V1529 PolarHBondContact ND2-O 2.87Å
1506D94.4Very high91.2Very high103 Ų10333 Ų3355%0.55119%0.193SC*.Hα-helixtrans-57.4-39.1174-57.1-74.7000113.4S1504 I1509 A1510S1504-D1506 VanDerWaalsContact C-N 3.26Å; S1504-D1506 PolarHBondContact O-N 3.39Å; D1506-I1509 PolarHBondContact O-N 3.12Å; D1506-A1510 WeakPolarHBondContact O-CB 3.48Å; D1506-A1510 PolarHBondContact O-N 3.31Å
1507R94.4Very high91.7Very high17 Ų1731.6 Ų31.66%0.06418%0.183CC..Hα-helixtrans-70.7-35.6179.4-179.863.5-169.392.4-4.8111.9C1493 Q1494 S1496 W1503 S1504 N1505 A1510 W1511C1493-R1507 PolarHBondContact O-NE 3.25Å; C1493-R1507 PolarHBondContact O-NH2 2.89Å; Q1494-R1507 PolarHBondContact O-NE 3.38Å; S1496-R1507 PolarHBondContact O-NH2 2.72Å; W1503-R1507 HydrophobicContact CB-CB 4.13Å; W1503-R1507 HydrophobicContact CB-CG 3.93Å; W1503-R1507 HydrophobicContact CD2-CG 3.57Å; W1503-R1507 HydrophobicContact CE3-CG 3.8Å; W1503-R1507 HydrophobicContact CG-CB 4.37Å; W1503-R1507 HydrophobicContact CG-CG 3.63Å; S1504-R1507 WeakPolarHBondContact O-CA 3.48Å; S1504-R1507 WeakPolarHBondContact O-CB 3.32Å; S1504-R1507 PolarHBondContact O-N 3.35Å; S1504-R1507 PolarHBondContact OG-N 3.4Å; N1505-R1507 VanDerWaalsContact C-N 3.3Å; N1505-R1507 PolarHBondContact O-N 3.47Å; R1507-A1510 PolarHBondContact O-N 3.47Å; R1507-W1511 PolarHBondContact O-N 3.18Å
1508V94.7Very high92.2Very high0 Ų032.9 Ų32.90%019%0.19CC..Hα-helixtrans-67-44.4170.9-179.20000110.2W1503 S1504 N1505 A1510 W1511 L1512 L1524 V1529 M1534 F1545W1503-V1508 HydrophobicContact CE3-CG2 4.25Å; S1504-V1508 PolarHBondContact O-N 2.78Å; N1505-V1508 PolarHBondContact O-N 2.74Å; V1508-A1510 VanDerWaalsContact C-N 3.32Å; V1508-A1510 PolarHBondContact O-N 2.88Å; V1508-W1511 HydrophobicContact CG1-CE3 4.28Å; V1508-W1511 PolarHBondContact O-N 3.47Å; V1508-W1511 VanDerWaalsContact O-N 3.17Å; V1508-L1512 HydrophobicContact CG1-CD1 4.39Å; V1508-L1512 WeakPolarHBondContact O-CG 3.5Å; V1508-L1512 PolarHBondContact O-N 2.85Å; V1508-L1524 HydrophobicContact CB-CD1 4.4Å; V1508-L1524 HydrophobicContact CG1-CD1 3.63Å; V1508-V1529 HydrophobicContact CG1-CG1 4.47Å; V1508-M1534 HydrophobicContact CG1-SD 4.17Å; V1508-M1534 HydrophobicContact CG2-SD 3.84Å; V1508-F1545 HydrophobicContact CG1-CZ 4.03Å
1509I94.3Very high92.5Very high16 Ų1633.1 Ų33.18%0.08219%0.188CC..Hα-helixtrans-59.7-40.9174.5-70.2174.1000111.2N1505 D1506 L1512 K1513 A1521 L1524 I1525N1505-I1509 VanDerWaalsContact O-CG1 3.31Å; N1505-I1509 WeakPolarHBondContact O-CG1 3.44Å; N1505-I1509 PolarHBondContact O-N 2.92Å; N1505-I1509 WeakPolarHBondContact OD1-CD1 3.36Å; D1506-I1509 PolarHBondContact O-N 3.12Å; I1509-L1512 PolarHBondContact O-N 3.43Å; I1509-K1513 HydrophobicContact CG2-CD 4.28Å; I1509-K1513 VanDerWaalsContact O-CG 3.27Å; I1509-K1513 WeakPolarHBondContact O-CG 3.43Å; I1509-K1513 PolarHBondContact O-N 3.23Å; I1509-K1513 VanDerWaalsContact O-N 3.08Å; I1509-A1521 WeakPolarHBondContact CG1-O 3.47Å; I1509-A1521 HydrophobicContact CG2-CB 4.28Å; I1509-L1524 HydrophobicContact CD1-CB 4.12Å; I1509-L1524 HydrophobicContact CG1-CB 3.92Å; I1509-L1524 HydrophobicContact CG1-CD1 4.35Å; I1509-I1525 HydrophobicContact CD1-CG1 4.09Å
1510A93.4Very high92.7Very high47 Ų4733.1 Ų33.139%0.38819%0.186SC..Hα-helixtrans-66.3-39.5175.100000112.4D1506 R1507 V1508 K1513 S1514D1506-A1510 WeakPolarHBondContact O-CB 3.48Å; D1506-A1510 PolarHBondContact O-N 3.31Å; R1507-A1510 PolarHBondContact O-N 3.47Å; V1508-A1510 VanDerWaalsContact C-N 3.32Å; V1508-A1510 PolarHBondContact O-N 2.88Å; A1510-K1513 PolarHBondContact O-N 3.19Å; A1510-S1514 PolarHBondContact O-N 2.82Å
1511W94.2Very high92.8Very high2 Ų233 Ų331%0.00819%0.186CC..Hα-helixtrans-65.4-44.2173.4165.876.7000112.1W1503 R1507 V1508 K1513 S1514 I1515 F1545 L1562 E1565 L1569W1503-W1511 HydrophobicContact CH2-CB 4.36Å; W1503-W1511 HydrophobicContact CH2-CG 4.32Å; W1503-W1511 HydrophobicContact CZ3-CB 3.75Å; W1503-W1511 HydrophobicContact CZ3-CD2 4.42Å; W1503-W1511 AromaticContact CZ3-CG 3.92Å; W1503-W1511 HydrophobicContact CZ3-CG 3.92Å; R1507-W1511 PolarHBondContact O-N 3.18Å; V1508-W1511 HydrophobicContact CG1-CE3 4.28Å; V1508-W1511 PolarHBondContact O-N 3.47Å; V1508-W1511 VanDerWaalsContact O-N 3.17Å; W1511-K1513 VanDerWaalsContact C-N 3.28Å; W1511-K1513 PolarHBondContact O-N 2.94Å; W1511-S1514 WeakPolarHBondContact CA-OG 3.15Å; W1511-S1514 CarbonylContact O-C 3.6Å; W1511-S1514 WeakPolarHBondContact O-CA 3.42Å; W1511-S1514 WeakPolarHBondContact O-CB 3.19Å; W1511-S1514 PolarHBondContact O-N 3.34Å; W1511-S1514 PolarHBondContact O-OG 3.49Å; W1511-I1515 HydrophobicContact CH2-CD1 4Å; W1511-I1515 HydrophobicContact CZ2-CD1 3.88Å; W1511-I1515 HydrophobicContact CZ2-CG2 4.47Å; W1511-I1515 HydrophobicContact CZ3-CD1 4.46Å; W1511-I1515 PolarHBondContact O-N 2.65Å; W1511-F1545 HydrophobicContact CH2-CE1 4.08Å; W1511-F1545 AromaticContact CZ3-CE1 3.69Å; W1511-F1545 HydrophobicContact CZ3-CE1 3.69Å; W1511-F1545 HydrophobicContact CZ3-CZ 4.02Å; W1511-L1562 HydrophobicContact CH2-CD1 4.06Å; W1511-L1562 HydrophobicContact CZ3-CD1 4.42Å; W1511-E1565 HydrophobicContact CZ2-CB 3.84Å; W1511-L1569 HydrophobicContact CD2-CD1 3.95Å; W1511-L1569 VanDerWaalsContact CE2-CD1 3.45Å; W1511-L1569 HydrophobicContact CG-CD1 4.36Å; W1511-L1569 HydrophobicContact CH2-CD1 4.34Å; W1511-L1569 HydrophobicContact CZ2-CD1 3.65Å; W1511-L1569 HydrophobicContact CZ2-CG 4.41Å
1512L94.1Very high92.8Very high0 Ų038 Ų380%021%0.207CC..Hα-helixtrans-57.4-41.4175.4-74.8172.3000112.2V1508 I1509 I1515 G1516 L1517 A1521 L1524 F1545 L1549 L1562V1508-L1512 HydrophobicContact CG1-CD1 4.39Å; V1508-L1512 WeakPolarHBondContact O-CG 3.5Å; V1508-L1512 PolarHBondContact O-N 2.85Å; I1509-L1512 PolarHBondContact O-N 3.43Å; L1512-I1515 HydrophobicContact CD2-CD1 4.22Å; L1512-I1515 VanDerWaalsContact O-CG1 3.3Å; L1512-I1515 WeakPolarHBondContact O-CG1 3.46Å; L1512-I1515 PolarHBondContact O-N 2.83Å; L1512-G1516 PolarHBondContact O-N 3.19Å; L1512-L1517 HydrophobicContact CD2-CB 4.43Å; L1512-L1517 HydrophobicContact CD2-CD1 4.02Å; L1512-L1517 PolarHBondContact O-N 2.72Å; L1512-A1521 HydrophobicContact CB-CB 3.74Å; L1512-A1521 HydrophobicContact CD1-CB 4.22Å; L1512-L1524 HydrophobicContact CD1-CD1 3.45Å; L1512-L1524 VanDerWaalsContact CD1-CD1 3.45Å; L1512-L1524 HydrophobicContact CD1-CG 3.97Å; L1512-F1545 HydrophobicContact CD1-CZ 4.32Å; L1512-F1545 HydrophobicContact CD2-CE1 4.5Å; L1512-F1545 HydrophobicContact CD2-CZ 4.23Å; L1512-L1549 HydrophobicContact CD1-CD1 4.33Å; L1512-L1549 HydrophobicContact CD1-CD2 3.56Å; L1512-L1549 HydrophobicContact CD2-CD1 3.99Å; L1512-L1562 HydrophobicContact CD2-CD1 3.9Å
1513K93.2Very high92.8Very high104 Ų10439.9 Ų39.945%0.45222%0.217SC..Hα-helixtrans-62.8-41.8172.2-69.5168.6-179.1173.90111.8I1509 A1510 W1511 I1515 G1516 N1518 A1521I1509-K1513 HydrophobicContact CG2-CD 4.28Å; I1509-K1513 VanDerWaalsContact O-CG 3.27Å; I1509-K1513 WeakPolarHBondContact O-CG 3.43Å; I1509-K1513 PolarHBondContact O-N 3.23Å; I1509-K1513 VanDerWaalsContact O-N 3.08Å; A1510-K1513 PolarHBondContact O-N 3.19Å; W1511-K1513 VanDerWaalsContact C-N 3.28Å; W1511-K1513 PolarHBondContact O-N 2.94Å; K1513-I1515 PolarHBondContact O-N 2.83Å; K1513-G1516 WeakPolarHBondContact O-CA 3.33Å; K1513-G1516 PolarHBondContact O-N 3.03Å; K1513-N1518 VanDerWaalsContact CA-OD1 3.32Å; K1513-N1518 WeakPolarHBondContact CA-OD1 3.38Å; K1513-N1518 VanDerWaalsContact CB-OD1 3.27Å; K1513-N1518 WeakPolarHBondContact CB-OD1 3.37Å; K1513-N1518 WeakPolarHBondContact CG-OD1 3.12Å; K1513-A1521 HydrophobicContact CG-CB 4.06Å
1514S91Very high92.8Very high87 Ų8739.8 Ų39.861%0.60822%0.216SC*.Hα-helixtrans-64.9-34.2178.277.40000113.8A1510 W1511 G1516A1510-S1514 PolarHBondContact O-N 2.82Å; W1511-S1514 WeakPolarHBondContact CA-OG 3.15Å; W1511-S1514 CarbonylContact O-C 3.6Å; W1511-S1514 WeakPolarHBondContact O-CA 3.42Å; W1511-S1514 WeakPolarHBondContact O-CB 3.19Å; W1511-S1514 PolarHBondContact O-N 3.34Å; W1511-S1514 PolarHBondContact O-OG 3.49Å; S1514-G1516 PolarHBondContact O-N 3.28Å
1515I91.4Very high92.6Very high16 Ų1644.4 Ų44.48%0.08224%0.239CC..THydrogen-bonded Turntrans-82.6-0.5172.568.7166.4000112.7W1511 L1512 K1513 L1517 K1561 L1562 E1565W1511-I1515 HydrophobicContact CH2-CD1 4Å; W1511-I1515 HydrophobicContact CZ2-CD1 3.88Å; W1511-I1515 HydrophobicContact CZ2-CG2 4.47Å; W1511-I1515 HydrophobicContact CZ3-CD1 4.46Å; W1511-I1515 PolarHBondContact O-N 2.65Å; L1512-I1515 HydrophobicContact CD2-CD1 4.22Å; L1512-I1515 VanDerWaalsContact O-CG1 3.3Å; L1512-I1515 WeakPolarHBondContact O-CG1 3.46Å; L1512-I1515 PolarHBondContact O-N 2.83Å; K1513-I1515 PolarHBondContact O-N 2.83Å; I1515-L1517 HydrophobicContact CD1-CD1 3.84Å; I1515-L1517 HydrophobicContact CD1-CG 4.17Å; I1515-L1517 HydrophobicContact CG1-CD1 4.39Å; I1515-L1517 HydrophobicContact CG1-CG 4.2Å; I1515-K1561 WeakPolarHBondContact O-CE 3.39Å; I1515-K1561 PolarHBondContact O-NZ 3.44Å; I1515-L1562 HydrophobicContact CD1-CD1 4.35Å; I1515-E1565 HydrophobicContact CB-CG 4.33Å; I1515-E1565 HydrophobicContact CD1-CB 4.2Å; I1515-E1565 HydrophobicContact CG2-CB 4.06Å; I1515-E1565 HydrophobicContact CG2-CG 3.78Å
1516G89.9Confident92.5Very high30 Ų3046 Ų4631%0.30925%0.247SC..THydrogen-bonded Turntrans93.51.9173.400000116.1L1512 K1513 S1514 N1518L1512-G1516 PolarHBondContact O-N 3.19Å; K1513-G1516 WeakPolarHBondContact O-CA 3.33Å; K1513-G1516 PolarHBondContact O-N 3.03Å; S1514-G1516 PolarHBondContact O-N 3.28Å; G1516-N1518 PolarHBondContact O-N 3.12Å
1517L91.2Very high92.4Very high0 Ų041.6 Ų41.60%023%0.225CC..  trans-80.244.7177.2-60.5-177.7000112.1L1512 I1515 E1519 Y1520 A1521 I1551 M1558 L1562L1512-L1517 HydrophobicContact CD2-CB 4.43Å; L1512-L1517 HydrophobicContact CD2-CD1 4.02Å; L1512-L1517 PolarHBondContact O-N 2.72Å; I1515-L1517 HydrophobicContact CD1-CD1 3.84Å; I1515-L1517 HydrophobicContact CD1-CG 4.17Å; I1515-L1517 HydrophobicContact CG1-CD1 4.39Å; I1515-L1517 HydrophobicContact CG1-CG 4.2Å; L1517-E1519 VanDerWaalsContact C-N 3.3Å; L1517-E1519 PolarHBondContact O-N 2.93Å; L1517-Y1520 HydrophobicContact CB-CD2 4.45Å; L1517-Y1520 HydrophobicContact CD2-CD2 4.23Å; L1517-Y1520 PolarHBondContact O-N 2.93Å; L1517-A1521 WeakPolarHBondContact O-CB 3.47Å; L1517-A1521 PolarHBondContact O-N 3.22Å; L1517-I1551 HydrophobicContact CD1-CD1 4.33Å; L1517-M1558 HydrophobicContact CD2-CB 3.76Å; L1517-M1558 HydrophobicContact CD2-CG 3.94Å; L1517-M1558 HydrophobicContact CD2-SD 3.46Å; L1517-M1558 WeakPolarHBondContact CD2-SD 3.22Å; L1517-L1562 HydrophobicContact CD1-CB 4.03Å; L1517-L1562 HydrophobicContact CD1-CD1 3.8Å; L1517-L1562 HydrophobicContact CD1-CG 4.44Å
1518N90.5Very high92.4Very high97 Ų9740.8 Ų40.852%0.51922%0.222SC..THydrogen-bonded Turntrans-57.8-38.6-172.1-72.7-58.2000113.5K1513 G1516K1513-N1518 VanDerWaalsContact CA-OD1 3.32Å; K1513-N1518 WeakPolarHBondContact CA-OD1 3.38Å; K1513-N1518 VanDerWaalsContact CB-OD1 3.27Å; K1513-N1518 WeakPolarHBondContact CB-OD1 3.37Å; K1513-N1518 WeakPolarHBondContact CG-OD1 3.12Å; G1516-N1518 PolarHBondContact O-N 3.12Å
1519E88.6Confident92.5Very high104 Ų10440.8 Ų40.849%0.48622%0.222SC..THydrogen-bonded Turntrans-76.1-29.7-175.368-157.2131.500113.8L1517 K1522L1517-E1519 VanDerWaalsContact C-N 3.3Å; L1517-E1519 PolarHBondContact O-N 2.93Å; E1519-K1522 WeakPolarHBondContact O-CD 3.15Å; E1519-K1522 VanDerWaalsContact O-CE 3.22Å; E1519-K1522 WeakPolarHBondContact O-CE 3.14Å; E1519-K1522 PolarHBondContact O-NZ 3.21Å
1520Y92.2Very high92.6Very high27 Ų2740.1 Ų40.111%0.10622%0.218CC..THydrogen-bonded Turntrans-89.1-28178.4-57.6-70000112.3L1517 K1522 N1523 I1551 P1552 D1555 M1558L1517-Y1520 HydrophobicContact CB-CD2 4.45Å; L1517-Y1520 HydrophobicContact CD2-CD2 4.23Å; L1517-Y1520 PolarHBondContact O-N 2.93Å; Y1520-K1522 PolarHBondContact O-N 3.47Å; Y1520-N1523 VanDerWaalsContact O-CB 3.23Å; Y1520-N1523 WeakPolarHBondContact O-CB 3.49Å; Y1520-N1523 PolarHBondContact O-N 2.95Å; Y1520-I1551 HydrophobicContact CD1-CG1 3.81Å; Y1520-I1551 HydrophobicContact CD2-CD1 4.43Å; Y1520-I1551 HydrophobicContact CD2-CG1 4.01Å; Y1520-I1551 HydrophobicContact CE1-CB 4.28Å; Y1520-I1551 HydrophobicContact CE1-CG1 4.03Å; Y1520-I1551 HydrophobicContact CE1-CG2 4.44Å; Y1520-I1551 HydrophobicContact CE2-CG1 4.2Å; Y1520-I1551 HydrophobicContact CE2-CG2 4.4Å; Y1520-I1551 HydrophobicContact CG-CG1 3.8Å; Y1520-P1552 WeakPolarHBondContact OH-CD 3.4Å; Y1520-D1555 PolarHBondContact OH-OD2 3.46Å; Y1520-M1558 HydrophobicContact CE2-CB 4.34Å; Y1520-M1558 HydrophobicContact CE2-CG 4.19Å
1521A92.6Very high92.6Very high0 Ų037.9 Ų37.90%020%0.2CC..G310 helixtrans-56.6-27.5-177.500000114.2I1509 L1512 K1513 L1517 N1523 L1524I1509-A1521 WeakPolarHBondContact CG1-O 3.47Å; I1509-A1521 HydrophobicContact CG2-CB 4.28Å; L1512-A1521 HydrophobicContact CB-CB 3.74Å; L1512-A1521 HydrophobicContact CD1-CB 4.22Å; K1513-A1521 HydrophobicContact CG-CB 4.06Å; L1517-A1521 WeakPolarHBondContact O-CB 3.47Å; L1517-A1521 PolarHBondContact O-N 3.22Å; A1521-N1523 PolarHBondContact O-N 2.92Å; A1521-L1524 PolarHBondContact O-N 3.24Å
1522K91.1Very high92.6Very high124 Ų12437.9 Ų37.954%0.53920%0.2SC..G310 helixtrans-65.2-24.2174.576.6-163.4-177.1-135.30113.3E1519 Y1520 L1524 I1525E1519-K1522 WeakPolarHBondContact O-CD 3.15Å; E1519-K1522 VanDerWaalsContact O-CE 3.22Å; E1519-K1522 WeakPolarHBondContact O-CE 3.14Å; E1519-K1522 PolarHBondContact O-NZ 3.21Å; Y1520-K1522 PolarHBondContact O-N 3.47Å; K1522-L1524 PolarHBondContact O-N 2.69Å; K1522-I1525 WeakPolarHBondContact O-CB 3.38Å; K1522-I1525 WeakPolarHBondContact O-CG1 3.37Å; K1522-I1525 PolarHBondContact O-N 2.8Å
1523N92.6Very high92.6Very high39 Ų3937.9 Ų37.921%0.20920%0.2CC..G310 helixtrans-75.6-10.7-175.9-57.9-14.6000112.2Y1520 A1521 I1525 L1549Y1520-N1523 VanDerWaalsContact O-CB 3.23Å; Y1520-N1523 WeakPolarHBondContact O-CB 3.49Å; Y1520-N1523 PolarHBondContact O-N 2.95Å; A1521-N1523 PolarHBondContact O-N 2.92Å; N1523-I1525 VanDerWaalsContact C-N 3.33Å; N1523-L1549 PolarHBondContact ND2-O 3.33Å
1524L93.1Very high92.6Very high0 Ų032.9 Ų32.90%018%0.178CC..G310 helixtrans-80.2-9.6171.6-64.5-162.4000114.3N1505 V1508 I1509 L1512 A1521 K1522 D1526 S1527 V1529 F1545 I1548 L1549N1505-L1524 PolarHBondContact ND2-O 3.45Å; V1508-L1524 HydrophobicContact CB-CD1 4.4Å; V1508-L1524 HydrophobicContact CG1-CD1 3.63Å; I1509-L1524 HydrophobicContact CD1-CB 4.12Å; I1509-L1524 HydrophobicContact CG1-CB 3.92Å; I1509-L1524 HydrophobicContact CG1-CD1 4.35Å; L1512-L1524 HydrophobicContact CD1-CD1 3.45Å; L1512-L1524 VanDerWaalsContact CD1-CD1 3.45Å; L1512-L1524 HydrophobicContact CD1-CG 3.97Å; A1521-L1524 PolarHBondContact O-N 3.24Å; K1522-L1524 PolarHBondContact O-N 2.69Å; L1524-D1526 PolarHBondContact O-N 2.82Å; L1524-S1527 WeakPolarHBondContact CA-OG 3.43Å; L1524-S1527 WeakPolarHBondContact O-CB 3.39Å; L1524-S1527 PolarHBondContact O-N 2.75Å; L1524-S1527 PolarHBondContact O-OG 2.98Å; L1524-V1529 HydrophobicContact CD1-CB 4.26Å; L1524-V1529 HydrophobicContact CD1-CG1 4.22Å; L1524-V1529 HydrophobicContact CD2-CB 4.19Å; L1524-V1529 HydrophobicContact CD2-CG2 4.12Å; L1524-F1545 HydrophobicContact CD1-CE2 3.95Å; L1524-F1545 HydrophobicContact CD1-CZ 4.31Å; L1524-F1545 HydrophobicContact CD2-CE2 4Å; L1524-I1548 HydrophobicContact CD2-CG2 3.87Å; L1524-L1549 HydrophobicContact CD1-CD2 4.32Å; L1524-L1549 HydrophobicContact CD2-CD2 3.57Å; L1524-L1549 HydrophobicContact CD2-CG 4.03Å; L1524-L1549 HydrophobicContact CG-CD2 3.67Å
1525I92.4Very high92.5Very high110 Ų11029.3 Ų29.356%0.56415%0.153SC*.THydrogen-bonded Turntrans-62.7127.6175.1-62.1171.2000108.1I1509 K1522 N1523 S1527I1509-I1525 HydrophobicContact CD1-CG1 4.09Å; K1522-I1525 WeakPolarHBondContact O-CB 3.38Å; K1522-I1525 WeakPolarHBondContact O-CG1 3.37Å; K1522-I1525 PolarHBondContact O-N 2.8Å; N1523-I1525 VanDerWaalsContact C-N 3.33Å; I1525-S1527 PolarHBondContact O-N 3.31Å
1526D92.7Very high92.4Very high42 Ų4229.6 Ų29.623%0.22515%0.154CC..THydrogen-bonded Turntrans58.723-176.7-84.6-41.4000115.8G1428 A1430 R1431 H1465 L1524G1428-D1526 CarbonylContact O-C 3.56Å; G1428-D1526 WeakPolarHBondContact O-CA 3.39Å; A1430-D1526 WeakPolarHBondContact CA-OD1 3.15Å; A1430-D1526 WeakPolarHBondContact CB-OD1 3.28Å; A1430-D1526 PolarHBondContact N-OD1 3.31Å; R1431-D1526 HydrophobicContact CB-CB 4.49Å; R1431-D1526 HydrophobicContact CG-CB 4.5Å; R1431-D1526 PolarHBondContact N-OD1 3.41Å; R1431-D1526 PolarHBondContact NE-O 3.49Å; R1431-D1526 PolarHBondContact NH2-O 3.03Å; H1465-D1526 PolarHBondContact NE2-O 3.37Å; L1524-D1526 PolarHBondContact O-N 2.82Å
1527S93.3Very high92.4Very high12 Ų1228.6 Ų28.68%0.08414%0.142CC..SBendtrans-88.4-18178.367.10000115.7G1428 F1464 L1524 I1525 V1529G1428-S1527 PolarHBondContact O-N 2.92Å; F1464-S1527 WeakPolarHBondContact CD1-O 3.45Å; F1464-S1527 VanDerWaalsContact CE1-O 3.23Å; F1464-S1527 WeakPolarHBondContact CE1-O 3.48Å; L1524-S1527 WeakPolarHBondContact CA-OG 3.43Å; L1524-S1527 WeakPolarHBondContact O-CB 3.39Å; L1524-S1527 PolarHBondContact O-N 2.75Å; L1524-S1527 PolarHBondContact O-OG 2.98Å; I1525-S1527 PolarHBondContact O-N 3.31Å; S1527-V1529 VanDerWaalsContact C-N 3.34Å; S1527-V1529 PolarHBondContact OG-N 2.76Å; S1527-V1529 VanDerWaalsContact OG-N 3.16Å
1528G94.8Very high92Very high0 Ų033 Ų330%017%0.17CC..  trans80.4-2.8-167.500000116.1L1427 G1428 S1468 H1530L1427-G1528 CarbonylContact O-C 3.57Å; L1427-G1528 VanDerWaalsContact O-CA 3.3Å; L1427-G1528 WeakPolarHBondContact O-CA 3.33Å; L1427-G1528 VanDerWaalsContact O-O 3.14Å; G1428-G1528 PolarHBondContact O-N 3.37Å; S1468-G1528 WeakPolarHBondContact CB-O 3.42Å; S1468-G1528 WeakPolarHBondContact OG-CA 3.36Å; S1468-G1528 PolarHBondContact OG-O 2.91Å; G1528-H1530 PolarHBondContact O-N 3.03Å; G1528-H1530 PolarHBondContact O-ND1 2.71Å
1529V96.3Very high91.7Very high0 Ų033.9 Ų33.90%018%0.175CC..  trans-75.8125-179.8-1780000111.7F1464 N1505 V1508 L1524 S1527 L1533 M1534 F1540 F1545 I1548F1464-V1529 HydrophobicContact CE1-CG2 4.17Å; F1464-V1529 HydrophobicContact CZ-CG2 4.19Å; N1505-V1529 WeakPolarHBondContact CB-O 3.1Å; N1505-V1529 PolarHBondContact ND2-O 2.87Å; V1508-V1529 HydrophobicContact CG1-CG1 4.47Å; L1524-V1529 HydrophobicContact CD1-CB 4.26Å; L1524-V1529 HydrophobicContact CD1-CG1 4.22Å; L1524-V1529 HydrophobicContact CD2-CB 4.19Å; L1524-V1529 HydrophobicContact CD2-CG2 4.12Å; S1527-V1529 VanDerWaalsContact C-N 3.34Å; S1527-V1529 PolarHBondContact OG-N 2.76Å; S1527-V1529 VanDerWaalsContact OG-N 3.16Å; V1529-L1533 HydrophobicContact CG2-CD2 4.39Å; V1529-M1534 HydrophobicContact CG1-CG 4.43Å; V1529-M1534 HydrophobicContact CG1-SD 4.44Å; V1529-F1540 HydrophobicContact CG1-CE2 4.48Å; V1529-F1540 HydrophobicContact CG1-CZ 4.13Å; V1529-F1540 HydrophobicContact CG2-CE2 4.45Å; V1529-F1545 HydrophobicContact CG1-CD2 4.48Å; V1529-F1545 HydrophobicContact CG1-CE2 3.87Å; V1529-F1545 HydrophobicContact CG1-CZ 4.45Å; V1529-I1548 HydrophobicContact CG2-CD1 4.09Å; V1529-I1548 HydrophobicContact CG2-CG2 3.81Å
1530H95.9Very high91.8Very high2 Ų229.2 Ų29.21%0.00915%0.153CC..  trans-154.4170.5177.662.8-78.4000109.9L1427 S1468 G1528 A1532 L1533 M1534L1427-H1530 PolarHBondContact O-ND1 3.28Å; S1468-H1530 PolarHBondContact O-CE1 3.5Å; S1468-H1530 PolarHBondContact OG-CE1 2.9Å; G1528-H1530 PolarHBondContact O-N 3.03Å; G1528-H1530 PolarHBondContact O-ND1 2.71Å; H1530-A1532 PolarHBondContact O-N 3.4Å; H1530-L1533 PolarHBondContact NE2-N 2.89Å; H1530-L1533 WeakPolarHBondContact O-CB 2.96Å; H1530-L1533 PolarHBondContact O-N 2.94Å; H1530-M1534 WeakPolarHBondContact O-CG 3.43Å; H1530-M1534 PolarHBondContact O-N 2.95Å
1531G94.1Very high91.6Very high0 Ų030.8 Ų30.80%016%0.163CC..Hα-helixtrans-61.7-38.4-16900000115.9L1500 W1503 L1533 M1534 V1535L1500-G1531 CarbonylContact O-C 3.59Å; L1500-G1531 WeakPolarHBondContact O-CA 3.42Å; W1503-G1531 PolarHBondContact O-N 3.15Å; G1531-L1533 PolarHBondContact O-N 2.91Å; G1531-M1534 PolarHBondContact O-N 2.7Å; G1531-V1535 WeakPolarHBondContact O-CG2 3.36Å; G1531-V1535 PolarHBondContact O-N 3.33Å; G1531-V1535 VanDerWaalsContact O-N 3.13Å
1532A93Very high91.6Very high1 Ų131.4 Ų31.41%0.00817%0.169CC..Hα-helixtrans-64.1-40.6178.200000112.5C1475 L1501 H1530 V1535 L1536C1475-A1532 HydrophobicContact CB-CB 3.7Å; L1501-A1532 HydrophobicContact CD1-CB 4.18Å; L1501-A1532 WeakPolarHBondContact O-CB 3.49Å; L1501-A1532 PolarHBondContact O-N 3.33Å; H1530-A1532 PolarHBondContact O-N 3.4Å; A1532-V1535 PolarHBondContact O-N 3.48Å; A1532-L1536 HydrophobicContact CB-CD1 4.21Å; A1532-L1536 WeakPolarHBondContact O-CB 3.47Å; A1532-L1536 WeakPolarHBondContact O-CG 3.31Å; A1532-L1536 PolarHBondContact O-N 2.66Å
1533L94.5Very high91.5Very high0 Ų030.1 Ų30.10%017%0.168CC..Hα-helixtrans-55.9-51.7170.8177.470.7000110.9F1464 Y1471 V1529 H1530 G1531 V1535 L1536 D1537 F1540F1464-L1533 HydrophobicContact CE1-CD2 4.41Å; F1464-L1533 HydrophobicContact CE2-CD2 4.17Å; F1464-L1533 HydrophobicContact CZ-CD2 3.65Å; Y1471-L1533 HydrophobicContact CD2-CD1 3.52Å; Y1471-L1533 HydrophobicContact CE2-CD1 3.95Å; V1529-L1533 HydrophobicContact CG2-CD2 4.39Å; H1530-L1533 PolarHBondContact NE2-N 2.89Å; H1530-L1533 WeakPolarHBondContact O-CB 2.96Å; H1530-L1533 PolarHBondContact O-N 2.94Å; G1531-L1533 PolarHBondContact O-N 2.91Å; L1533-V1535 PolarHBondContact O-N 2.79Å; L1533-L1536 PolarHBondContact O-N 2.83Å; L1533-D1537 HydrophobicContact CD1-CB 4.02Å; L1533-D1537 WeakPolarHBondContact O-CB 3.42Å; L1533-D1537 PolarHBondContact O-N 2.77Å; L1533-F1540 HydrophobicContact CD2-CD2 3.96Å; L1533-F1540 HydrophobicContact CD2-CE2 3.76Å; L1533-F1540 HydrophobicContact CG-CD2 3.88Å; L1533-F1540 HydrophobicContact CG-CE2 4.12Å
1534M93.3Very high91.5Very high0 Ų030 Ų300%017%0.17CC..Hα-helixtrans-59.7-32.3-176.7-59.9170.269.800113.7L1500 V1508 V1529 H1530 G1531 F1540 F1545 L1566 L1570 R1574L1500-M1534 HydrophobicContact CD1-SD 4.5Å; L1500-M1534 HydrophobicContact CD2-CB 4.43Å; V1508-M1534 HydrophobicContact CG1-SD 4.17Å; V1508-M1534 HydrophobicContact CG2-SD 3.84Å; V1529-M1534 HydrophobicContact CG1-CG 4.43Å; V1529-M1534 HydrophobicContact CG1-SD 4.44Å; H1530-M1534 WeakPolarHBondContact O-CG 3.43Å; H1530-M1534 PolarHBondContact O-N 2.95Å; G1531-M1534 PolarHBondContact O-N 2.7Å; M1534-F1540 HydrophobicContact CB-CD1 4.4Å; M1534-F1540 HydrophobicContact CB-CE1 4.31Å; M1534-F1540 HydrophobicContact CG-CD1 4.29Å; M1534-F1540 HydrophobicContact CG-CE1 3.75Å; M1534-F1540 HydrophobicContact CG-CZ 3.97Å; M1534-F1545 HydrophobicContact CE-CE1 4.08Å; M1534-F1545 HydrophobicContact CE-CZ 4.42Å; M1534-L1566 HydrophobicContact CE-CD1 3.47Å; M1534-L1566 VanDerWaalsContact CE-CD1 3.47Å; M1534-L1570 HydrophobicContact CB-CD2 4.45Å; M1534-L1570 WeakPolarHBondContact O-CD2 3.47Å; M1534-R1574 PolarHBondContact O-NH2 2.99Å
1535V89.7Confident91.5Very high12 Ų1230 Ų307%0.07317%0.17CC..Hα-helixtrans-90.8-38-177.5174.60000113.1L1500 G1531 A1532 L1533 Y1573L1500-V1535 HydrophobicContact CB-CG2 3.69Å; L1500-V1535 HydrophobicContact CD2-CG2 3.59Å; L1500-V1535 HydrophobicContact CG-CG2 3.53Å; G1531-V1535 WeakPolarHBondContact O-CG2 3.36Å; G1531-V1535 PolarHBondContact O-N 3.33Å; G1531-V1535 VanDerWaalsContact O-N 3.13Å; A1532-V1535 PolarHBondContact O-N 3.48Å; L1533-V1535 PolarHBondContact O-N 2.79Å; V1535-Y1573 HydrophobicContact CG1-CD1 3.82Å; V1535-Y1573 HydrophobicContact CG1-CE1 4.46Å; V1535-Y1573 HydrophobicContact CG1-CG 4.04Å; V1535-Y1573 HydrophobicContact CG2-CD2 4.44Å; V1535-Y1573 HydrophobicContact CG2-CG 4.4Å
1536L88.5Confident91.6Very high21 Ų2124.9 Ų24.911%0.1114%0.144CC..Hα-helixtrans-96.8-18-169.9-58-179.8000113.8Y1471 M1474 R1478 L1501 A1532 L1533 P1538Y1471-L1536 HydrophobicContact CD1-CB 3.39Å; Y1471-L1536 HydrophobicContact CD1-CD1 4.02Å; Y1471-L1536 HydrophobicContact CD1-CG 4.35Å; Y1471-L1536 HydrophobicContact CE1-CB 3.65Å; Y1471-L1536 WeakPolarHBondContact CE1-O 3.27Å; Y1471-L1536 HydrophobicContact CG-CB 4.2Å; M1474-L1536 HydrophobicContact CB-CD1 3.82Å; M1474-L1536 HydrophobicContact SD-CD1 4.4Å; R1478-L1536 VanDerWaalsContact CZ-CD2 3.43Å; L1501-L1536 HydrophobicContact CD1-CD1 3.97Å; L1501-L1536 HydrophobicContact CD1-CD2 4.03Å; L1501-L1536 HydrophobicContact CD1-CG 4Å; A1532-L1536 HydrophobicContact CB-CD1 4.21Å; A1532-L1536 WeakPolarHBondContact O-CB 3.47Å; A1532-L1536 WeakPolarHBondContact O-CG 3.31Å; A1532-L1536 PolarHBondContact O-N 2.66Å; L1533-L1536 PolarHBondContact O-N 2.83Å; L1536-P1538 WeakPolarHBondContact O-CD 3.49Å
1537D89.2Confident91.5Very high10 Ų1028.3 Ų28.35%0.05316%0.162CC..  trans-88.2110.2177.2-168.8-20.8000110.2Y1471 L1533 D1539 F1540 R1574Y1471-D1537 HydrophobicContact CD2-CB 4.27Å; Y1471-D1537 HydrophobicContact CE2-CB 3.57Å; L1533-D1537 HydrophobicContact CD1-CB 4.02Å; L1533-D1537 WeakPolarHBondContact O-CB 3.42Å; L1533-D1537 PolarHBondContact O-N 2.77Å; D1537-D1539 PolarHBondContact O-N 3.31Å; D1537-D1539 PolarHBondContact OD1-N 2.71Å; D1537-F1540 HydrophobicContact CB-CB 3.78Å; D1537-F1540 PolarHBondContact O-N 2.92Å; D1537-F1540 PolarHBondContact OD1-N 3.42Å; D1537-R1574 PolarHBondContact O-NH2 2.83Å
1538P83.6Confident91.4Very high91 Ų9129.6 Ų29.659%0.59117%0.168SC*.THydrogen-bonded Turntrans-63.5-30.5179.428.4-34.6000111.7L1536 R1574L1536-P1538 WeakPolarHBondContact O-CD 3.49Å; P1538-R1574 PolarHBondContact O-NH1 3.4Å
1539D84.4Confident91.4Very high117 Ų11729.6 Ų29.663%0.62617%0.168SC*.THydrogen-bonded Turntrans-85.9-10.1-173.8-58.6-32.9000112.3D1537 D1541D1537-D1539 PolarHBondContact O-N 3.31Å; D1537-D1539 PolarHBondContact OD1-N 2.71Å; D1539-D1541 PolarHBondContact O-N 3.4Å
1540F89.5Confident91.2Very high5 Ų536 Ų362%0.02220%0.198CC..  trans-73.8113177.1-167.4-79.1000111.8F1464 V1529 L1533 M1534 D1537 F1545 I1548 R1574F1464-F1540 HydrophobicContact CZ-CE2 4.49Å; V1529-F1540 HydrophobicContact CG1-CE2 4.48Å; V1529-F1540 HydrophobicContact CG1-CZ 4.13Å; V1529-F1540 HydrophobicContact CG2-CE2 4.45Å; L1533-F1540 HydrophobicContact CD2-CD2 3.96Å; L1533-F1540 HydrophobicContact CD2-CE2 3.76Å; L1533-F1540 HydrophobicContact CG-CD2 3.88Å; L1533-F1540 HydrophobicContact CG-CE2 4.12Å; M1534-F1540 HydrophobicContact CB-CD1 4.4Å; M1534-F1540 HydrophobicContact CB-CE1 4.31Å; M1534-F1540 HydrophobicContact CG-CD1 4.29Å; M1534-F1540 HydrophobicContact CG-CE1 3.75Å; M1534-F1540 HydrophobicContact CG-CZ 3.97Å; D1537-F1540 HydrophobicContact CB-CB 3.78Å; D1537-F1540 PolarHBondContact O-N 2.92Å; D1537-F1540 PolarHBondContact OD1-N 3.42Å; F1540-F1545 HydrophobicContact CE1-CB 3.88Å; F1540-F1545 HydrophobicContact CE1-CD1 4.13Å; F1540-F1545 HydrophobicContact CE1-CD2 4.38Å; F1540-F1545 AromaticContact CE1-CG 3.92Å; F1540-F1545 HydrophobicContact CE1-CG 3.92Å; F1540-F1545 HydrophobicContact CZ-CB 3.85Å; F1540-F1545 HydrophobicContact CZ-CD1 4.33Å; F1540-F1545 AromaticContact CZ-CD2 3.78Å; F1540-F1545 HydrophobicContact CZ-CD2 3.78Å; F1540-F1545 HydrophobicContact CZ-CE2 4.36Å; F1540-F1545 AromaticContact CZ-CG 3.76Å; F1540-F1545 HydrophobicContact CZ-CG 3.76Å; F1540-I1548 HydrophobicContact CE2-CD1 4.22Å; F1540-R1574 PolarHBondContact O-NH2 3.44Å; F1540-R1574 VanDerWaalsContact O-NH2 3.13Å
1541D88.9Confident90.9Very high60 Ų6036.2 Ų36.232%0.32120%0.198SC..  trans-129.9-178.7-171.691.6-51.1000112.7D1539 N1543 S1544 F1545D1539-D1541 PolarHBondContact O-N 3.4Å; D1541-N1543 VanDerWaalsContact C-N 3.33Å; D1541-N1543 VanDerWaalsContact CG-N 3.29Å; D1541-N1543 PolarHBondContact O-N 2.89Å; D1541-N1543 PolarHBondContact OD1-N 2.93Å; D1541-N1543 VanDerWaalsContact OD2-CB 3.28Å; D1541-N1543 WeakPolarHBondContact OD2-CB 3.3Å; D1541-N1543 PolarHBondContact OD2-N 3.37Å; D1541-N1543 PolarHBondContact OD2-ND2 2.88Å; D1541-S1544 PolarHBondContact N-OG 2.83Å; D1541-S1544 VanDerWaalsContact N-OG 3.07Å; D1541-S1544 PolarHBondContact O-OG 3.17Å; D1541-S1544 VanDerWaalsContact O-OG 3.14Å; D1541-S1544 VanDerWaalsContact OD1-CB 3.25Å; D1541-S1544 WeakPolarHBondContact OD1-CB 3.02Å; D1541-S1544 PolarHBondContact OD1-N 3.06Å; D1541-S1544 PolarHBondContact OD1-OG 3.39Å; D1541-F1545 VanDerWaalsContact O-CB 3.25Å; D1541-F1545 WeakPolarHBondContact O-CB 3.24Å; D1541-F1545 PolarHBondContact O-N 3.05Å; D1541-F1545 VanDerWaalsContact O-N 3.16Å
1542A91.5Very high90.7Very high14 Ų1439 Ų3912%0.11622%0.217CC..Hα-helixtrans-66.5-31.3177.700000113.5A1546 E1563 L1566A1542-A1546 VanDerWaalsContact O-CB 3.25Å; A1542-A1546 WeakPolarHBondContact O-CB 3.46Å; A1542-A1546 PolarHBondContact O-N 2.93Å; A1542-E1563 HydrophobicContact CB-CB 3.85Å; A1542-E1563 HydrophobicContact CB-CG 4.13Å; A1542-L1566 HydrophobicContact CB-CD2 4.08Å
1543N90.7Very high90.5Very high97 Ų9744.9 Ų44.952%0.51925%0.248SC..Hα-helixtrans-76.9-48.9-176.5-62.9-74.6000111.9D1541 F1545 A1546 L1547D1541-N1543 VanDerWaalsContact C-N 3.33Å; D1541-N1543 VanDerWaalsContact CG-N 3.29Å; D1541-N1543 PolarHBondContact O-N 2.89Å; D1541-N1543 PolarHBondContact OD1-N 2.93Å; D1541-N1543 VanDerWaalsContact OD2-CB 3.28Å; D1541-N1543 WeakPolarHBondContact OD2-CB 3.3Å; D1541-N1543 PolarHBondContact OD2-N 3.37Å; D1541-N1543 PolarHBondContact OD2-ND2 2.88Å; N1543-F1545 VanDerWaalsContact C-N 3.3Å; N1543-F1545 PolarHBondContact O-N 3.04Å; N1543-A1546 PolarHBondContact O-N 2.95Å; N1543-L1547 WeakPolarHBondContact O-CG 3.03Å; N1543-L1547 PolarHBondContact O-N 3.44Å
1544S91Very high90.3Very high36 Ų3650 Ų5025%0.25228%0.284SS..Hα-helixtrans-57.9-42.8172.452.80000111.3D1541 L1547 I1548D1541-S1544 PolarHBondContact N-OG 2.83Å; D1541-S1544 VanDerWaalsContact N-OG 3.07Å; D1541-S1544 PolarHBondContact O-OG 3.17Å; D1541-S1544 VanDerWaalsContact O-OG 3.14Å; D1541-S1544 VanDerWaalsContact OD1-CB 3.25Å; D1541-S1544 WeakPolarHBondContact OD1-CB 3.02Å; D1541-S1544 PolarHBondContact OD1-N 3.06Å; D1541-S1544 PolarHBondContact OD1-OG 3.39Å; S1544-L1547 WeakPolarHBondContact O-CB 3.3Å; S1544-L1547 PolarHBondContact O-N 3.31Å; S1544-I1548 WeakPolarHBondContact O-CD1 3.12Å; S1544-I1548 VanDerWaalsContact O-CG1 3.32Å; S1544-I1548 WeakPolarHBondContact O-CG1 3.28Å; S1544-I1548 PolarHBondContact O-N 2.69Å
1545F94.8Very high90.1Very high0 Ų051.7 Ų51.70%029%0.293CS..Hα-helixtrans-66.6-39.3175.9-168.3-158.5000113.3V1508 W1511 L1512 L1524 V1529 M1534 F1540 D1541 N1543 L1547 I1548 L1549 L1562 L1566V1508-F1545 HydrophobicContact CG1-CZ 4.03Å; W1511-F1545 HydrophobicContact CH2-CE1 4.08Å; W1511-F1545 AromaticContact CZ3-CE1 3.69Å; W1511-F1545 HydrophobicContact CZ3-CE1 3.69Å; W1511-F1545 HydrophobicContact CZ3-CZ 4.02Å; L1512-F1545 HydrophobicContact CD1-CZ 4.32Å; L1512-F1545 HydrophobicContact CD2-CE1 4.5Å; L1512-F1545 HydrophobicContact CD2-CZ 4.23Å; L1524-F1545 HydrophobicContact CD1-CE2 3.95Å; L1524-F1545 HydrophobicContact CD1-CZ 4.31Å; L1524-F1545 HydrophobicContact CD2-CE2 4Å; V1529-F1545 HydrophobicContact CG1-CD2 4.48Å; V1529-F1545 HydrophobicContact CG1-CE2 3.87Å; V1529-F1545 HydrophobicContact CG1-CZ 4.45Å; M1534-F1545 HydrophobicContact CE-CE1 4.08Å; M1534-F1545 HydrophobicContact CE-CZ 4.42Å; F1540-F1545 HydrophobicContact CE1-CB 3.88Å; F1540-F1545 HydrophobicContact CE1-CD1 4.13Å; F1540-F1545 HydrophobicContact CE1-CD2 4.38Å; F1540-F1545 AromaticContact CE1-CG 3.92Å; F1540-F1545 HydrophobicContact CE1-CG 3.92Å; F1540-F1545 HydrophobicContact CZ-CB 3.85Å; F1540-F1545 HydrophobicContact CZ-CD1 4.33Å; F1540-F1545 AromaticContact CZ-CD2 3.78Å; F1540-F1545 HydrophobicContact CZ-CD2 3.78Å; F1540-F1545 HydrophobicContact CZ-CE2 4.36Å; F1540-F1545 AromaticContact CZ-CG 3.76Å; F1540-F1545 HydrophobicContact CZ-CG 3.76Å; D1541-F1545 VanDerWaalsContact O-CB 3.25Å; D1541-F1545 WeakPolarHBondContact O-CB 3.24Å; D1541-F1545 PolarHBondContact O-N 3.05Å; D1541-F1545 VanDerWaalsContact O-N 3.16Å; N1543-F1545 VanDerWaalsContact C-N 3.3Å; N1543-F1545 PolarHBondContact O-N 3.04Å; F1545-L1547 VanDerWaalsContact C-N 3.31Å; F1545-L1547 PolarHBondContact O-N 2.92Å; F1545-I1548 PolarHBondContact O-N 2.66Å; F1545-L1549 HydrophobicContact CD1-CD1 4.44Å; F1545-L1549 HydrophobicContact CD2-CD1 3.91Å; F1545-L1549 HydrophobicContact CD2-CG 4.1Å; F1545-L1549 HydrophobicContact CE1-CD1 4.4Å; F1545-L1549 HydrophobicContact CE2-CD1 3.83Å; F1545-L1549 HydrophobicContact CE2-CG 4.04Å; F1545-L1549 HydrophobicContact CG-CD1 4.23Å; F1545-L1549 HydrophobicContact CZ-CD1 4.09Å; F1545-L1549 WeakPolarHBondContact O-CB 3.49Å; F1545-L1549 WeakPolarHBondContact O-CG 3.22Å; F1545-L1549 PolarHBondContact O-N 3.31Å; F1545-L1562 HydrophobicContact CB-CD2 4.43Å; F1545-L1562 HydrophobicContact CD1-CD1 3.86Å; F1545-L1562 HydrophobicContact CD1-CD2 4.06Å; F1545-L1562 HydrophobicContact CD1-CG 4.22Å; F1545-L1562 HydrophobicContact CE1-CD1 3.8Å; F1545-L1562 HydrophobicContact CG-CD2 4.31Å; F1545-L1566 HydrophobicContact CD1-CD1 4.04Å; F1545-L1566 HydrophobicContact CD1-CD2 4.09Å; F1545-L1566 HydrophobicContact CE1-CD1 4.12Å
1546A93.3Very high90.1Very high2 Ų256 Ų562%0.01732%0.319CS..Hα-helixtrans-64.4-33.2173.300000112.9A1542 N1543 Q1550 I1551 R1559 L1562A1542-A1546 VanDerWaalsContact O-CB 3.25Å; A1542-A1546 WeakPolarHBondContact O-CB 3.46Å; A1542-A1546 PolarHBondContact O-N 2.93Å; N1543-A1546 PolarHBondContact O-N 2.95Å; A1546-Q1550 PolarHBondContact O-N 2.67Å; A1546-I1551 HydrophobicContact CB-CB 4.47Å; A1546-I1551 HydrophobicContact CB-CD1 4.35Å; A1546-I1551 PolarHBondContact O-N 2.9Å; A1546-R1559 HydrophobicContact CB-CG 4.18Å; A1546-L1562 HydrophobicContact CB-CD2 3.94Å
1547L91.5Very high90.2Very high114 Ų11463 Ų6360%0.59735%0.351SS*.Hα-helixtrans-68.1-45.3173.1-71.1168.5000111.6N1543 S1544 F1545 L1549 Q1550N1543-L1547 WeakPolarHBondContact O-CG 3.03Å; N1543-L1547 PolarHBondContact O-N 3.44Å; S1544-L1547 WeakPolarHBondContact O-CB 3.3Å; S1544-L1547 PolarHBondContact O-N 3.31Å; F1545-L1547 VanDerWaalsContact C-N 3.31Å; F1545-L1547 PolarHBondContact O-N 2.92Å; L1547-L1549 VanDerWaalsContact C-N 3.29Å; L1547-L1549 PolarHBondContact O-N 3.39Å; L1547-Q1550 WeakPolarHBondContact O-CA 3.37Å; L1547-Q1550 PolarHBondContact O-N 3.4Å
1548I91.6Very high90.3Very high40 Ų4065 Ų6521%0.20536%0.36CS..Hα-helixtrans-62.3-38.4175.8-62.7157.8000111F1464 L1524 V1529 F1540 S1544 F1545 Q1550F1464-I1548 HydrophobicContact CE1-CD1 3.91Å; F1464-I1548 HydrophobicContact CE2-CD1 4.07Å; F1464-I1548 HydrophobicContact CZ-CD1 3.4Å; F1464-I1548 VanDerWaalsContact CZ-CD1 3.4Å; F1464-I1548 HydrophobicContact CZ-CG1 4.41Å; L1524-I1548 HydrophobicContact CD2-CG2 3.87Å; V1529-I1548 HydrophobicContact CG2-CD1 4.09Å; V1529-I1548 HydrophobicContact CG2-CG2 3.81Å; F1540-I1548 HydrophobicContact CE2-CD1 4.22Å; S1544-I1548 WeakPolarHBondContact O-CD1 3.12Å; S1544-I1548 VanDerWaalsContact O-CG1 3.32Å; S1544-I1548 WeakPolarHBondContact O-CG1 3.28Å; S1544-I1548 PolarHBondContact O-N 2.69Å; F1545-I1548 PolarHBondContact O-N 2.66Å; I1548-Q1550 PolarHBondContact O-N 3.02Å
1549L93.2Very high90.7Very high0 Ų062.4 Ų62.40%034%0.339CS..THydrogen-bonded Turntrans-71.4-7.7173.9-74.9167.4000114.1L1512 N1523 L1524 F1545 L1547 I1551 L1562L1512-L1549 HydrophobicContact CD1-CD1 4.33Å; L1512-L1549 HydrophobicContact CD1-CD2 3.56Å; L1512-L1549 HydrophobicContact CD2-CD1 3.99Å; N1523-L1549 PolarHBondContact ND2-O 3.33Å; L1524-L1549 HydrophobicContact CD1-CD2 4.32Å; L1524-L1549 HydrophobicContact CD2-CD2 3.57Å; L1524-L1549 HydrophobicContact CD2-CG 4.03Å; L1524-L1549 HydrophobicContact CG-CD2 3.67Å; F1545-L1549 HydrophobicContact CD1-CD1 4.44Å; F1545-L1549 HydrophobicContact CD2-CD1 3.91Å; F1545-L1549 HydrophobicContact CD2-CG 4.1Å; F1545-L1549 HydrophobicContact CE1-CD1 4.4Å; F1545-L1549 HydrophobicContact CE2-CD1 3.83Å; F1545-L1549 HydrophobicContact CE2-CG 4.04Å; F1545-L1549 HydrophobicContact CG-CD1 4.23Å; F1545-L1549 HydrophobicContact CZ-CD1 4.09Å; F1545-L1549 WeakPolarHBondContact O-CB 3.49Å; F1545-L1549 WeakPolarHBondContact O-CG 3.22Å; F1545-L1549 PolarHBondContact O-N 3.31Å; L1547-L1549 VanDerWaalsContact C-N 3.29Å; L1547-L1549 PolarHBondContact O-N 3.39Å; L1549-I1551 HydrophobicContact CB-CD1 4.07Å; L1549-I1551 HydrophobicContact CB-CG1 3.82Å; L1549-I1551 HydrophobicContact CD1-CD1 4.17Å; L1549-I1551 PolarHBondContact O-N 2.79Å; L1549-L1562 HydrophobicContact CD1-CD1 3.99Å; L1549-L1562 HydrophobicContact CD1-CD2 3.73Å
1550Q92Very high91Very high135 Ų13562 Ų6263%0.63133%0.333SS*.THydrogen-bonded Turntrans57.733.3-176.3-50.2177.3500113.2A1546 L1547 I1548 P1552A1546-Q1550 PolarHBondContact O-N 2.67Å; L1547-Q1550 WeakPolarHBondContact O-CA 3.37Å; L1547-Q1550 PolarHBondContact O-N 3.4Å; I1548-Q1550 PolarHBondContact O-N 3.02Å; Q1550-P1552 WeakPolarHBondContact O-CD 3.38Å
1551I90.8Very high91.1Very high5 Ų566.3 Ų66.33%0.02635%0.352CS..  trans-73.1122.2174.5-55.2175.8000108.1L1517 Y1520 A1546 L1549 D1555 M1558 R1559 L1562L1517-I1551 HydrophobicContact CD1-CD1 4.33Å; Y1520-I1551 HydrophobicContact CD1-CG1 3.81Å; Y1520-I1551 HydrophobicContact CD2-CD1 4.43Å; Y1520-I1551 HydrophobicContact CD2-CG1 4.01Å; Y1520-I1551 HydrophobicContact CE1-CB 4.28Å; Y1520-I1551 HydrophobicContact CE1-CG1 4.03Å; Y1520-I1551 HydrophobicContact CE1-CG2 4.44Å; Y1520-I1551 HydrophobicContact CE2-CG1 4.2Å; Y1520-I1551 HydrophobicContact CE2-CG2 4.4Å; Y1520-I1551 HydrophobicContact CG-CG1 3.8Å; A1546-I1551 HydrophobicContact CB-CB 4.47Å; A1546-I1551 HydrophobicContact CB-CD1 4.35Å; A1546-I1551 PolarHBondContact O-N 2.9Å; L1549-I1551 HydrophobicContact CB-CD1 4.07Å; L1549-I1551 HydrophobicContact CB-CG1 3.82Å; L1549-I1551 HydrophobicContact CD1-CD1 4.17Å; L1549-I1551 PolarHBondContact O-N 2.79Å; I1551-D1555 HydrophobicContact CG2-CB 3.97Å; I1551-M1558 HydrophobicContact CG2-CB 4.17Å; I1551-R1559 HydrophobicContact CB-CG 4.38Å; I1551-R1559 HydrophobicContact CG2-CG 3.77Å; I1551-R1559 PolarHBondContact O-NE 2.9Å; I1551-R1559 PolarHBondContact O-NH2 3.31Å; I1551-L1562 HydrophobicContact CD1-CD2 4.04Å
1552P89.9Confident91.4Very high59 Ų5963.5 Ų63.538%0.38334%0.337SS..  trans-55.9148.7179.4-26.836000112.7Y1520 Q1550 S1554 D1555 R1559Y1520-P1552 WeakPolarHBondContact OH-CD 3.4Å; Q1550-P1552 WeakPolarHBondContact O-CD 3.38Å; P1552-S1554 WeakPolarHBondContact CB-OG 3.37Å; P1552-S1554 PolarHBondContact O-N 3.39Å; P1552-D1555 HydrophobicContact CB-CB 4.48Å; P1552-D1555 PolarHBondContact O-N 2.85Å; P1552-R1559 PolarHBondContact O-NE 3.48Å; P1552-R1559 VanDerWaalsContact O-NE 3.1Å
1553N88.8Confident91.4Very high124 Ų12466.6 Ų66.666%0.66335%0.349SS*.THydrogen-bonded Turntrans-65.8-19.9174-70.8-7.1000112.5D1555 R1559N1553-D1555 VanDerWaalsContact C-N 3.34Å; N1553-R1559 VanDerWaalsContact OD1-CZ 3.23Å; N1553-R1559 PolarHBondContact OD1-NH2 3.4Å; N1553-R1559 VanDerWaalsContact OD1-NH2 3.09Å
1554S89.5Confident91.5Very high109 Ų10964.9 Ų64.976%0.76234%0.344SS*.THydrogen-bonded Turntrans-73.9-20.9171.8500000113.9P1552 V1556P1552-S1554 WeakPolarHBondContact CB-OG 3.37Å; P1552-S1554 PolarHBondContact O-N 3.39Å; S1554-V1556 VanDerWaalsContact C-N 3.28Å; S1554-V1556 PolarHBondContact O-N 2.72Å; S1554-V1556 VanDerWaalsContact O-N 3.08Å
1555D89.9Confident91.5Very high35 Ų3565.6 Ų65.619%0.18734%0.343CS..  trans-89.266-179.3-167.9-7.7000110.9Y1520 I1551 P1552 N1553 Q1557 M1558 R1559Y1520-D1555 PolarHBondContact OH-OD2 3.46Å; I1551-D1555 HydrophobicContact CG2-CB 3.97Å; P1552-D1555 HydrophobicContact CB-CB 4.48Å; P1552-D1555 PolarHBondContact O-N 2.85Å; N1553-D1555 VanDerWaalsContact C-N 3.34Å; D1555-Q1557 PolarHBondContact O-N 3.48Å; D1555-M1558 VanDerWaalsContact CG-CG 3.45Å; D1555-M1558 PolarHBondContact O-N 2.84Å; D1555-M1558 WeakPolarHBondContact OD1-CB 3.27Å; D1555-M1558 VanDerWaalsContact OD1-CG 3.24Å; D1555-M1558 WeakPolarHBondContact OD1-CG 3.35Å; D1555-M1558 PolarHBondContact OD1-N 2.74Å; D1555-M1558 WeakPolarHBondContact OD2-CB 3.29Å; D1555-M1558 WeakPolarHBondContact OD2-CG 3.45Å; D1555-R1559 WeakPolarHBondContact O-CB 3.47Å; D1555-R1559 WeakPolarHBondContact O-CG 3.47Å; D1555-R1559 PolarHBondContact O-N 3.13Å
1556V90.1Very high91.3Very high101 Ų10165.7 Ų65.761%0.61234%0.344SS*.Hα-helixtrans-61.8-31.1-180-176.10000111.3S1554 H1560S1554-V1556 VanDerWaalsContact C-N 3.28Å; S1554-V1556 PolarHBondContact O-N 2.72Å; S1554-V1556 VanDerWaalsContact O-N 3.08Å; V1556-H1560 VanDerWaalsContact O-CB 3.29Å; V1556-H1560 WeakPolarHBondContact O-CB 3.02Å; V1556-H1560 PolarHBondContact O-N 2.88Å
1557Q90Very high91.1Very high169 Ų16969.7 Ų69.779%0.7937%0.365SS*.Hα-helixtrans-67.7-48.7179.3-69.3-169.8-9.500111.8D1555 K1561D1555-Q1557 PolarHBondContact O-N 3.48Å; Q1557-K1561 WeakPolarHBondContact O-CB 3.34Å; Q1557-K1561 PolarHBondContact O-N 2.66Å
1558M90.4Very high90.9Very high51 Ų5170.9 Ų70.925%0.25136%0.361SS..Hα-helixtrans-70.1-33.9177.5-62.6-59.2-17100112L1517 Y1520 I1551 D1555 K1561 L1562L1517-M1558 HydrophobicContact CD2-CB 3.76Å; L1517-M1558 HydrophobicContact CD2-CG 3.94Å; L1517-M1558 HydrophobicContact CD2-SD 3.46Å; L1517-M1558 WeakPolarHBondContact CD2-SD 3.22Å; Y1520-M1558 HydrophobicContact CE2-CB 4.34Å; Y1520-M1558 HydrophobicContact CE2-CG 4.19Å; I1551-M1558 HydrophobicContact CG2-CB 4.17Å; D1555-M1558 VanDerWaalsContact CG-CG 3.45Å; D1555-M1558 PolarHBondContact O-N 2.84Å; D1555-M1558 WeakPolarHBondContact OD1-CB 3.27Å; D1555-M1558 VanDerWaalsContact OD1-CG 3.24Å; D1555-M1558 WeakPolarHBondContact OD1-CG 3.35Å; D1555-M1558 PolarHBondContact OD1-N 2.74Å; D1555-M1558 WeakPolarHBondContact OD2-CB 3.29Å; D1555-M1558 WeakPolarHBondContact OD2-CG 3.45Å; M1558-K1561 PolarHBondContact O-N 3.23Å; M1558-L1562 WeakPolarHBondContact O-CB 3.42Å; M1558-L1562 PolarHBondContact O-N 3.43Å
1559R93Very high90.7Very high38 Ų3869.4 Ų69.414%0.14335%0.354CS..Hα-helixtrans-62.3-49.7173.6-76.2178.7164.1-95.4-9112.5A1546 I1551 P1552 N1553 D1555 K1561 L1562 E1563A1546-R1559 HydrophobicContact CB-CG 4.18Å; I1551-R1559 HydrophobicContact CB-CG 4.38Å; I1551-R1559 HydrophobicContact CG2-CG 3.77Å; I1551-R1559 PolarHBondContact O-NE 2.9Å; I1551-R1559 PolarHBondContact O-NH2 3.31Å; P1552-R1559 PolarHBondContact O-NE 3.48Å; P1552-R1559 VanDerWaalsContact O-NE 3.1Å; N1553-R1559 VanDerWaalsContact OD1-CZ 3.23Å; N1553-R1559 PolarHBondContact OD1-NH2 3.4Å; N1553-R1559 VanDerWaalsContact OD1-NH2 3.09Å; D1555-R1559 WeakPolarHBondContact O-CB 3.47Å; D1555-R1559 WeakPolarHBondContact O-CG 3.47Å; D1555-R1559 PolarHBondContact O-N 3.13Å; R1559-K1561 VanDerWaalsContact C-N 3.31Å; R1559-K1561 PolarHBondContact O-N 3.42Å; R1559-L1562 WeakPolarHBondContact O-CB 3.29Å; R1559-L1562 PolarHBondContact O-N 2.74Å; R1559-E1563 WeakPolarHBondContact O-CB 3.5Å; R1559-E1563 PolarHBondContact O-N 3.06Å
1560H91Very high90.4Very high107 Ų10769.7 Ų69.750%0.49536%0.355SS..Hα-helixtrans-66.8-33.2178-175.351.7000112.4V1556 E1563 C1564V1556-H1560 VanDerWaalsContact O-CB 3.29Å; V1556-H1560 WeakPolarHBondContact O-CB 3.02Å; V1556-H1560 PolarHBondContact O-N 2.88Å; H1560-E1563 IonicContact CE1-OE2 3.74Å; H1560-E1563 IonicContact CG-OE2 2.64Å; H1560-E1563 IonicContact ND1-OE2 3.1Å; H1560-E1563 PolarHBondContact ND1-OE2 3.14Å; H1560-E1563 PolarHBondContact O-N 3.42Å; H1560-C1564 VanDerWaalsContact CE1-SG 3.55Å; H1560-C1564 WeakPolarHBondContact O-CB 3.48Å; H1560-C1564 PolarHBondContact O-N 3.01Å; H1560-C1564 PolarHBondContact O-SG 2.77Å
1561K91.7Very high89.7Confident97 Ų9769.5 Ų69.542%0.42235%0.354SS..Hα-helixtrans-66.2-42173.5-164.1-176.6-165.5-171.20112.2I1515 Q1557 M1558 R1559 E1565I1515-K1561 WeakPolarHBondContact O-CE 3.39Å; I1515-K1561 PolarHBondContact O-NZ 3.44Å; Q1557-K1561 WeakPolarHBondContact O-CB 3.34Å; Q1557-K1561 PolarHBondContact O-N 2.66Å; M1558-K1561 PolarHBondContact O-N 3.23Å; R1559-K1561 VanDerWaalsContact C-N 3.31Å; R1559-K1561 PolarHBondContact O-N 3.42Å; K1561-E1565 PolarHBondContact O-N 3.46Å
1562L94.1Very high89.1Confident0 Ų073 Ų730%038%0.377CS..Hα-helixtrans-61.8-48.6173.8-178.868.7000110.8W1511 L1512 I1515 L1517 F1545 A1546 L1549 I1551 M1558 R1559 C1564 E1565 L1566W1511-L1562 HydrophobicContact CH2-CD1 4.06Å; W1511-L1562 HydrophobicContact CZ3-CD1 4.42Å; L1512-L1562 HydrophobicContact CD2-CD1 3.9Å; I1515-L1562 HydrophobicContact CD1-CD1 4.35Å; L1517-L1562 HydrophobicContact CD1-CB 4.03Å; L1517-L1562 HydrophobicContact CD1-CD1 3.8Å; L1517-L1562 HydrophobicContact CD1-CG 4.44Å; F1545-L1562 HydrophobicContact CB-CD2 4.43Å; F1545-L1562 HydrophobicContact CD1-CD1 3.86Å; F1545-L1562 HydrophobicContact CD1-CD2 4.06Å; F1545-L1562 HydrophobicContact CD1-CG 4.22Å; F1545-L1562 HydrophobicContact CE1-CD1 3.8Å; F1545-L1562 HydrophobicContact CG-CD2 4.31Å; A1546-L1562 HydrophobicContact CB-CD2 3.94Å; L1549-L1562 HydrophobicContact CD1-CD1 3.99Å; L1549-L1562 HydrophobicContact CD1-CD2 3.73Å; I1551-L1562 HydrophobicContact CD1-CD2 4.04Å; M1558-L1562 WeakPolarHBondContact O-CB 3.42Å; M1558-L1562 PolarHBondContact O-N 3.43Å; R1559-L1562 WeakPolarHBondContact O-CB 3.29Å; R1559-L1562 PolarHBondContact O-N 2.74Å; L1562-C1564 PolarHBondContact O-N 3.13Å; L1562-E1565 PolarHBondContact O-N 2.81Å; L1562-L1566 WeakPolarHBondContact O-CB 3.43Å; L1562-L1566 PolarHBondContact O-N 3.29Å
1563E92.2Very high88.2Confident80 Ų8071.8 Ų71.837%0.37437%0.365SS..Hα-helixtrans-54.1-49.1176.4175.3-172.4-143.900111.9A1542 R1559 H1560 N1567A1542-E1563 HydrophobicContact CB-CB 3.85Å; A1542-E1563 HydrophobicContact CB-CG 4.13Å; R1559-E1563 WeakPolarHBondContact O-CB 3.5Å; R1559-E1563 PolarHBondContact O-N 3.06Å; H1560-E1563 IonicContact CE1-OE2 3.74Å; H1560-E1563 IonicContact CG-OE2 2.64Å; H1560-E1563 IonicContact ND1-OE2 3.1Å; H1560-E1563 PolarHBondContact ND1-OE2 3.14Å; H1560-E1563 PolarHBondContact O-N 3.42Å; E1563-N1567 WeakPolarHBondContact CG-ND2 3.41Å; E1563-N1567 VanDerWaalsContact O-CB 3.27Å; E1563-N1567 WeakPolarHBondContact O-CB 3.05Å; E1563-N1567 PolarHBondContact O-N 2.76Å; E1563-N1567 PolarHBondContact O-ND2 3.05Å
1564C91.9Very high87.2Confident61 Ų6170.9 Ų70.941%0.41235%0.353SS..Hα-helixtrans-61.9-50.2-179.7-71.30000112.6H1560 L1562 R1568H1560-C1564 VanDerWaalsContact CE1-SG 3.55Å; H1560-C1564 WeakPolarHBondContact O-CB 3.48Å; H1560-C1564 PolarHBondContact O-N 3.01Å; H1560-C1564 PolarHBondContact O-SG 2.77Å; L1562-C1564 PolarHBondContact O-N 3.13Å; C1564-R1568 WeakPolarHBondContact O-CB 3.49Å; C1564-R1568 PolarHBondContact O-N 2.96Å
1565E91.4Very high85.4Confident51 Ų5168.8 Ų68.824%0.23834%0.338CS..Hα-helixtrans-74.1-31.7-178.6-71.2-69.3159.300112.7W1511 I1515 K1561 L1562 R1568 L1569W1511-E1565 HydrophobicContact CZ2-CB 3.84Å; I1515-E1565 HydrophobicContact CB-CG 4.33Å; I1515-E1565 HydrophobicContact CD1-CB 4.2Å; I1515-E1565 HydrophobicContact CG2-CB 4.06Å; I1515-E1565 HydrophobicContact CG2-CG 3.78Å; K1561-E1565 PolarHBondContact O-N 3.46Å; L1562-E1565 PolarHBondContact O-N 2.81Å; E1565-R1568 PolarHBondContact O-N 2.95Å; E1565-R1568 IonicContact OE1-NE 3.51Å; E1565-R1568 IonicContact OE1-NH2 2.62Å; E1565-R1568 IonicContact OE2-CZ 3.2Å; E1565-R1568 VanDerWaalsContact OE2-CZ 3.26Å; E1565-R1568 IonicContact OE2-NE 2.69Å; E1565-R1568 PolarHBondContact OE2-NE 3.03Å; E1565-R1568 IonicContact OE2-NH2 2.81Å; E1565-R1568 PolarHBondContact OE2-NH2 3.49Å; E1565-L1569 PolarHBondContact O-N 3.45Å; E1565-L1569 VanDerWaalsContact O-N 3.07Å
1566L91.6Very high83.1Confident1 Ų170.8 Ų70.81%0.00535%0.351CS..Hα-helixtrans-65.4-49.4173.1-178.170.2000110.8M1534 A1542 F1545 L1562 R1568 L1569 L1570M1534-L1566 HydrophobicContact CE-CD1 3.47Å; M1534-L1566 VanDerWaalsContact CE-CD1 3.47Å; A1542-L1566 HydrophobicContact CB-CD2 4.08Å; F1545-L1566 HydrophobicContact CD1-CD1 4.04Å; F1545-L1566 HydrophobicContact CD1-CD2 4.09Å; F1545-L1566 HydrophobicContact CE1-CD1 4.12Å; L1562-L1566 WeakPolarHBondContact O-CB 3.43Å; L1562-L1566 PolarHBondContact O-N 3.29Å; L1566-R1568 PolarHBondContact O-N 2.85Å; L1566-L1569 PolarHBondContact O-N 2.85Å; L1566-L1569 VanDerWaalsContact O-N 3.08Å; L1566-L1570 HydrophobicContact CD1-CD1 3.89Å; L1566-L1570 HydrophobicContact CD1-CG 4.18Å; L1566-L1570 HydrophobicContact CD2-CD1 4.23Å; L1566-L1570 HydrophobicContact CG-CD1 3.75Å; L1566-L1570 HydrophobicContact CG-CG 4.28Å; L1566-L1570 WeakPolarHBondContact O-CB 3.35Å; L1566-L1570 WeakPolarHBondContact O-CG 3.41Å; L1566-L1570 PolarHBondContact O-N 3.35Å
1567N88.8Confident80.2Confident86 Ų8673.4 Ų73.446%0.4636%0.362SS..Hα-helixtrans-61-36.5176.3-77.4-45.1000111.3E1563 L1569 L1570 H1571E1563-N1567 WeakPolarHBondContact CG-ND2 3.41Å; E1563-N1567 VanDerWaalsContact O-CB 3.27Å; E1563-N1567 WeakPolarHBondContact O-CB 3.05Å; E1563-N1567 PolarHBondContact O-N 2.76Å; E1563-N1567 PolarHBondContact O-ND2 3.05Å; N1567-L1569 VanDerWaalsContact C-N 3.32Å; N1567-L1569 PolarHBondContact O-N 3.41Å; N1567-L1570 PolarHBondContact O-N 2.74Å; N1567-H1571 WeakPolarHBondContact O-CB 3.45Å; N1567-H1571 PolarHBondContact O-N 3.13Å
1568R87.3Confident77.5Confident139 Ų13974.1 Ų74.153%0.52537%0.365SS..Hα-helixtrans-63.8-32.7174.6-162.4174.774.385.1-1.9113.3C1564 E1565 L1566C1564-R1568 WeakPolarHBondContact O-CB 3.49Å; C1564-R1568 PolarHBondContact O-N 2.96Å; E1565-R1568 PolarHBondContact O-N 2.95Å; E1565-R1568 IonicContact OE1-NE 3.51Å; E1565-R1568 IonicContact OE1-NH2 2.62Å; E1565-R1568 IonicContact OE2-CZ 3.2Å; E1565-R1568 VanDerWaalsContact OE2-CZ 3.26Å; E1565-R1568 IonicContact OE2-NE 2.69Å; E1565-R1568 PolarHBondContact OE2-NE 3.03Å; E1565-R1568 IonicContact OE2-NH2 2.81Å; E1565-R1568 PolarHBondContact OE2-NH2 3.49Å; L1566-R1568 PolarHBondContact O-N 2.85Å
1569L88Confident74.5Confident10 Ų1079.7 Ų79.75%0.05240%0.396CS..Hα-helixtrans-78.2-36.6172.6-73.5-175.4000113.4L1497 L1500 W1503 W1511 E1565 L1566 N1567 P1572 Y1573L1497-L1569 HydrophobicContact CB-CD2 4.09Å; L1497-L1569 HydrophobicContact CD2-CD2 4.33Å; L1500-L1569 HydrophobicContact CD2-CB 4.23Å; W1503-L1569 HydrophobicContact CH2-CD1 3.83Å; W1503-L1569 HydrophobicContact CH2-CD2 4.06Å; W1503-L1569 HydrophobicContact CZ3-CD1 4Å; W1511-L1569 HydrophobicContact CD2-CD1 3.95Å; W1511-L1569 VanDerWaalsContact CE2-CD1 3.45Å; W1511-L1569 HydrophobicContact CG-CD1 4.36Å; W1511-L1569 HydrophobicContact CH2-CD1 4.34Å; W1511-L1569 HydrophobicContact CZ2-CD1 3.65Å; W1511-L1569 HydrophobicContact CZ2-CG 4.41Å; E1565-L1569 PolarHBondContact O-N 3.45Å; E1565-L1569 VanDerWaalsContact O-N 3.07Å; L1566-L1569 PolarHBondContact O-N 2.85Å; L1566-L1569 VanDerWaalsContact O-N 3.08Å; N1567-L1569 VanDerWaalsContact C-N 3.32Å; N1567-L1569 PolarHBondContact O-N 3.41Å; L1569-P1572 WeakPolarHBondContact O-CD 3.45Å; L1569-Y1573 WeakPolarHBondContact O-CD2 3.15Å
1570L86.5Confident71.6Confident6 Ų684 Ų843%0.03143%0.426CS..Hα-helixtrans-85.3-21.1-174.7-66.7-179.6000113.9L1500 M1534 L1566 N1567 Y1573 R1574L1500-L1570 HydrophobicContact CD2-CD2 3.75Å; M1534-L1570 HydrophobicContact CB-CD2 4.45Å; M1534-L1570 WeakPolarHBondContact O-CD2 3.47Å; L1566-L1570 HydrophobicContact CD1-CD1 3.89Å; L1566-L1570 HydrophobicContact CD1-CG 4.18Å; L1566-L1570 HydrophobicContact CD2-CD1 4.23Å; L1566-L1570 HydrophobicContact CG-CD1 3.75Å; L1566-L1570 HydrophobicContact CG-CG 4.28Å; L1566-L1570 WeakPolarHBondContact O-CB 3.35Å; L1566-L1570 WeakPolarHBondContact O-CG 3.41Å; L1566-L1570 PolarHBondContact O-N 3.35Å; N1567-L1570 PolarHBondContact O-N 2.74Å; L1570-Y1573 PolarHBondContact O-N 3.39Å; L1570-R1574 HydrophobicContact CB-CG 4.49Å; L1570-R1574 PolarHBondContact O-N 2.78Å
1571H77.5Confident68.7Low130 Ų13085.2 Ų85.260%0.60245%0.447SS*.Hα-helixtrans-50.2-49.6-177.8-166.874.2000113.1N1567 Y1573 R1574 S1575N1567-H1571 WeakPolarHBondContact O-CB 3.45Å; N1567-H1571 PolarHBondContact O-N 3.13Å; H1571-Y1573 PolarHBondContact O-N 3.29Å; H1571-R1574 PolarHBondContact O-N 2.98Å; H1571-S1575 WeakPolarHBondContact O-CB 3.47Å; H1571-S1575 PolarHBondContact O-N 2.83Å; H1571-S1575 PolarHBondContact O-OG 2.98Å
1572P76.8Confident66.1Low79 Ų7986.3 Ų86.351%0.51346%0.461SS..Hα-helixtrans-64.3-13.5-179.9-2034.1000115.3L1569L1569-P1572 WeakPolarHBondContact O-CD 3.45Å
1573Y72.9Confident62.9Low33 Ų3397.4 Ų97.413%0.12950%0.503CS..Hα-helixtrans-106-19.3-179.7-56.8-83000112.9D1499 L1500 V1535 L1569 L1570 H1571D1499-Y1573 WeakPolarHBondContact CA-OH 3.24Å; D1499-Y1573 PolarHBondContact N-OH 2.81Å; L1500-Y1573 HydrophobicContact CB-CE2 3.89Å; L1500-Y1573 PolarHBondContact N-OH 3.17Å; L1500-Y1573 VanDerWaalsContact N-OH 3.11Å; V1535-Y1573 HydrophobicContact CG1-CD1 3.82Å; V1535-Y1573 HydrophobicContact CG1-CE1 4.46Å; V1535-Y1573 HydrophobicContact CG1-CG 4.04Å; V1535-Y1573 HydrophobicContact CG2-CD2 4.44Å; V1535-Y1573 HydrophobicContact CG2-CG 4.4Å; L1569-Y1573 WeakPolarHBondContact O-CD2 3.15Å; L1570-Y1573 PolarHBondContact O-N 3.39Å; H1571-Y1573 PolarHBondContact O-N 3.29Å
1574R67.5Low60.2Low106 Ų10699.2 Ų99.240%0.452%0.522SS..Hα-helixtrans-108.5-12.2-179.2-62.9-171.6-178.2-122.9-4.6113.8M1534 D1537 P1538 F1540 L1570 H1571 V1576M1534-R1574 PolarHBondContact O-NH2 2.99Å; D1537-R1574 PolarHBondContact O-NH2 2.83Å; P1538-R1574 PolarHBondContact O-NH1 3.4Å; F1540-R1574 PolarHBondContact O-NH2 3.44Å; F1540-R1574 VanDerWaalsContact O-NH2 3.13Å; L1570-R1574 HydrophobicContact CB-CG 4.49Å; L1570-R1574 PolarHBondContact O-N 2.78Å; H1571-R1574 PolarHBondContact O-N 2.98Å; R1574-V1576 VanDerWaalsContact C-N 3.32Å; R1574-V1576 PolarHBondContact O-N 2.86Å; R1574-V1576 VanDerWaalsContact O-N 3.07Å
1575S50.1Low57.1Low64 Ų64103.6 Ų103.645%0.44854%0.541SS..  trans-84.748.9-172.5700000115.4H1571H1571-S1575 WeakPolarHBondContact O-CB 3.47Å; H1571-S1575 PolarHBondContact O-N 2.83Å; H1571-S1575 PolarHBondContact O-OG 2.98Å
1576V41.7Very low54.3Low78 Ų78108.8 Ų108.847%0.47357%0.571SS.*  trans-130.890.9170.91770000110.1R1574 A1595R1574-V1576 VanDerWaalsContact C-N 3.32Å; R1574-V1576 PolarHBondContact O-N 2.86Å; R1574-V1576 VanDerWaalsContact O-N 3.07Å; V1576-A1595 HydrophobicContact CB-CB 3.73Å; V1576-A1595 HydrophobicContact CG1-CB 4.16Å; V1576-A1595 HydrophobicContact CG2-CB 3.39Å
1577N30.9Very low51.3Low155 Ų155114.3 Ų114.383%0.82961%0.61SS**SBendtrans-174.321.6157.6-102.3-33.4000113.6
1578Q32.1Very low48.4Very low185 Ų185116.5 Ų116.586%0.86462%0.62SS**SBendtrans-138.6138.9176.5-64.8-169.69.400112.1T1580Q1578-T1580 PolarHBondContact O-N 3.11Å
1579N27.6Very low45.9Very low168 Ų168116.5 Ų116.590%0.89863%0.628SS**  trans-62.5119.4-165.8-57.3-42.6000115.2
1580T33.2Very low43.3Very low127 Ų127121.7 Ų121.778%0.77966%0.655SS**  trans-146.3121.3155.630.40000112.2Q1578 V1582Q1578-T1580 PolarHBondContact O-N 3.11Å; T1580-V1582 PolarHBondContact O-N 3.27Å
1581S28.5Very low41.1Very low133 Ų133126.2 Ų126.293%0.9367%0.673SS**  trans-8894.8168.4167.80000110
1582V36.8Very low39Very low120 Ų120125.6 Ų125.673%0.72767%0.674SS**  trans-132.4138.6172.7-1760000108.9T1580T1580-V1582 PolarHBondContact O-N 3.27Å
1583R28.5Very low37.2Very low233 Ų233124.9 Ų124.988%0.87967%0.668SS**  trans-77.9128.2-173.5-65178.6177.4179.4-2.4111.7N1585R1583-N1585 PolarHBondContact O-N 3.22Å
1584P34.8Very low35.3Very low119 Ų119125 Ų12577%0.77368%0.676SS**  trans-83.997.6173.132.5-32.2000111.3
1585N26.7Very low33.8Very low152 Ų152120.6 Ų120.681%0.81366%0.662SS**  trans-109.988.6160.1-94.617.7000108.4R1583R1583-N1585 PolarHBondContact O-N 3.22Å
1586D32.2Very low33.1Very low160 Ų160120.9 Ų120.986%0.85666%0.664SS**  trans-174.1134.1147.3-100.2-25.1000110.3I1588D1586-I1588 PolarHBondContact O-N 2.75Å
1587S28.6Very low32.7Very low117 Ų117125.1 Ų125.182%0.81867%0.672SS**  trans-96.975.1-167.264.10000113.9
1588I29.4Very low33.2Very low132 Ų132121.5 Ų121.568%0.67765%0.652SS**SBendtrans-138115.5164.4-73.898000110.6D1586D1586-I1588 PolarHBondContact O-N 2.75Å
1589M33.8Very low33.4Very low140 Ų140116.4 Ų116.469%0.6964%0.642SS**  trans61132.6169.6-62.3-63178.400117.7Y1591M1589-Y1591 HydrophobicContact CB-CD2 4.02Å; M1589-Y1591 HydrophobicContact CB-CE2 3.52Å; M1589-Y1591 WeakPolarHBondContact O-CD2 3.49Å; M1589-Y1591 PolarHBondContact O-N 3.41Å
1590N34Very low33.5Very low118 Ų118112.4 Ų112.463%0.63163%0.627SS**  trans-84.673.6-177.1-174.7-8.8000111.5T1593N1590-T1593 PolarHBondContact ND2-OG1 3.41Å; N1590-T1593 PolarHBondContact OD1-OG1 2.79Å
1591Y40.6Very low33.6Very low101 Ų101110.1 Ų110.140%0.39661%0.613SS.*  trans-68.8-33.2-176.5-70.9-74.8000113.7M1589 T1593 A1594M1589-Y1591 HydrophobicContact CB-CD2 4.02Å; M1589-Y1591 HydrophobicContact CB-CE2 3.52Å; M1589-Y1591 WeakPolarHBondContact O-CD2 3.49Å; M1589-Y1591 PolarHBondContact O-N 3.41Å; Y1591-T1593 PolarHBondContact O-N 3.13Å; Y1591-T1593 VanDerWaalsContact O-N 3.17Å; Y1591-A1594 WeakPolarHBondContact O-CB 3.33Å; Y1591-A1594 PolarHBondContact O-N 2.71Å
1592D32.8Very low33.7Very low118 Ų118111.2 Ų111.263%0.63160%0.603SS**Hα-helixtrans-60.6-29.2-178.3-60.2-54.6000112.9A1594 A1595 S1596D1592-A1594 VanDerWaalsContact C-N 3.3Å; D1592-A1594 PolarHBondContact O-N 2.76Å; D1592-A1595 PolarHBondContact O-N 3.12Å; D1592-S1596 WeakPolarHBondContact O-CB 3.48Å; D1592-S1596 PolarHBondContact O-N 3.44Å
1593T38.2Very low33.4Very low63 Ų63112.9 Ų112.939%0.38760%0.596SS.*Hα-helixtrans-63.6-34.5173.8-58.10000111.9N1590 Y1591 A1595 W1597N1590-T1593 PolarHBondContact ND2-OG1 3.41Å; N1590-T1593 PolarHBondContact OD1-OG1 2.79Å; Y1591-T1593 PolarHBondContact O-N 3.13Å; Y1591-T1593 VanDerWaalsContact O-N 3.17Å; T1593-A1595 VanDerWaalsContact C-N 3.33Å; T1593-A1595 PolarHBondContact O-N 3.2Å; T1593-W1597 WeakPolarHBondContact O-CB 3.45Å; T1593-W1597 PolarHBondContact O-N 3.32Å
1594A32.5Very low33.4Very low36 Ų36105.9 Ų105.930%0.29858%0.581SS.*Hα-helixtrans-65.3-39.117700000111.7Y1591 D1592 I1598Y1591-A1594 WeakPolarHBondContact O-CB 3.33Å; Y1591-A1594 PolarHBondContact O-N 2.71Å; D1592-A1594 VanDerWaalsContact C-N 3.3Å; D1592-A1594 PolarHBondContact O-N 2.76Å; A1594-I1598 WeakPolarHBondContact O-CD1 3.3Å; A1594-I1598 VanDerWaalsContact O-CG1 3.27Å; A1594-I1598 WeakPolarHBondContact O-CG1 3.19Å; A1594-I1598 PolarHBondContact O-N 3.48Å; A1594-I1598 VanDerWaalsContact O-N 3.08Å
1595A37.8Very low32.9Very low14 Ų14104.2 Ų104.212%0.11656%0.563CS.*Hα-helixtrans-81.3-40.6-175.200000113.6V1576 D1592 T1593 W1597 I1598 A1599V1576-A1595 HydrophobicContact CB-CB 3.73Å; V1576-A1595 HydrophobicContact CG1-CB 4.16Å; V1576-A1595 HydrophobicContact CG2-CB 3.39Å; D1592-A1595 PolarHBondContact O-N 3.12Å; T1593-A1595 VanDerWaalsContact C-N 3.33Å; T1593-A1595 PolarHBondContact O-N 3.2Å; A1595-W1597 PolarHBondContact O-N 3.42Å; A1595-I1598 PolarHBondContact O-N 2.77Å; A1595-I1598 VanDerWaalsContact O-N 3.11Å; A1595-A1599 PolarHBondContact O-N 3.16Å; A1595-A1599 VanDerWaalsContact O-N 3.08Å
1596S34.1Very low32.9Very low70 Ų70100.3 Ų100.349%0.4955%0.546SS..Hα-helixtrans-56-37.2171.5-178.40000111.7D1592 S1600D1592-S1596 WeakPolarHBondContact O-CB 3.48Å; D1592-S1596 PolarHBondContact O-N 3.44Å; S1596-S1600 PolarHBondContact O-N 2.7Å; S1596-S1600 PolarHBondContact O-OG 3.2Å
1597W34.4Very low32.7Very low166 Ų16696.9 Ų96.963%0.62954%0.54SS*.Hα-helixtrans-80.7-27.9176.4-7367.9000113.6T1593 A1595 A1599 S1600 V1601T1593-W1597 WeakPolarHBondContact O-CB 3.45Å; T1593-W1597 PolarHBondContact O-N 3.32Å; A1595-W1597 PolarHBondContact O-N 3.42Å; W1597-A1599 VanDerWaalsContact C-N 3.26Å; W1597-A1599 PolarHBondContact O-N 3.42Å; W1597-S1600 CarbonylContact O-C 3.57Å; W1597-S1600 PolarHBondContact O-N 3.2Å; W1597-V1601 WeakPolarHBondContact O-CG2 3.33Å; W1597-V1601 PolarHBondContact O-N 3.42Å
1598I40.8Very low32.6Very low79 Ų7992.4 Ų92.441%0.40551%0.505SS..Hα-helixtrans-61.1-37.9168.4-75.4162.2000110.7A1594 A1595 S1600A1594-I1598 WeakPolarHBondContact O-CD1 3.3Å; A1594-I1598 VanDerWaalsContact O-CG1 3.27Å; A1594-I1598 WeakPolarHBondContact O-CG1 3.19Å; A1594-I1598 PolarHBondContact O-N 3.48Å; A1594-I1598 VanDerWaalsContact O-N 3.08Å; A1595-I1598 PolarHBondContact O-N 2.77Å; A1595-I1598 VanDerWaalsContact O-N 3.11Å; I1598-S1600 PolarHBondContact O-N 3.22Å
1599A35.3Very low32.6Very low79 Ų7994.3 Ų94.365%0.65351%0.505SS*.THydrogen-bonded Turntrans-72.8-7.8172.700000114.4A1595 W1597A1595-A1599 PolarHBondContact O-N 3.16Å; A1595-A1599 VanDerWaalsContact O-N 3.08Å; W1597-A1599 VanDerWaalsContact C-N 3.26Å; W1597-A1599 PolarHBondContact O-N 3.42Å
1600S31.6Very low32.2Very low84 Ų8491.3 Ų91.359%0.58749%0.489SS*.THydrogen-bonded Turntrans-114.33.7-176.1-53.50000113.9S1596 W1597 I1598S1596-S1600 PolarHBondContact O-N 2.7Å; S1596-S1600 PolarHBondContact O-OG 3.2Å; W1597-S1600 CarbonylContact O-C 3.57Å; W1597-S1600 PolarHBondContact O-N 3.2Å; I1598-S1600 PolarHBondContact O-N 3.22Å
1601V34.9Very low31.8Very low79 Ų7988.8 Ų88.848%0.47948%0.476SS..  trans-96.696175.8171.20000109.2W1597W1597-V1601 WeakPolarHBondContact O-CG2 3.33Å; W1597-V1601 PolarHBondContact O-N 3.42Å
1602E30Very low31.3Very low155 Ų15591 Ų9172%0.72449%0.49SS*.  trans-57.3147153-74.6-176.8123.900109.2P1604E1602-P1604 VanDerWaalsContact O-CD 3.23Å; E1602-P1604 WeakPolarHBondContact O-CD 3.5Å
1603R30.7Very low31Very low155 Ų15592.5 Ų92.559%0.58549%0.491SS*.  trans-55.7122.8166.2-88.4-173.2178.2174.53107.8D389 E1605D389-R1603 IonicContact OD1-CZ 3.17Å; D389-R1603 IonicContact OD1-NH1 2.94Å; D389-R1603 PolarHBondContact OD1-NH1 3.19Å; R1603-E1605 VanDerWaalsContact C-N 3.26Å; R1603-E1605 PolarHBondContact O-N 2.81Å
1604P28.7Very low30.5Very low87 Ų8797 Ų9757%0.56551%0.507SS*.  trans-69.296.8156.129.4-29.5000106.4Y1470 E1602Y1470-P1604 VanDerWaalsContact OH-CG 3.31Å; Y1470-P1604 WeakPolarHBondContact OH-CG 3.38Å; E1602-P1604 VanDerWaalsContact O-CD 3.23Å; E1602-P1604 WeakPolarHBondContact O-CD 3.5Å
1605E24.7Very low30.2Very low83 Ų83101 Ų10139%0.38853%0.529SS..  trans-49.6144178.4-77-67.4-14000111.1E392 R1603 A1607E392-E1605 VanDerWaalsContact OE1-CB 3.29Å; E392-E1605 WeakPolarHBondContact OE1-CB 3.22Å; E392-E1605 VanDerWaalsContact OE1-CD 3.31Å; R1603-E1605 VanDerWaalsContact C-N 3.26Å; R1603-E1605 PolarHBondContact O-N 2.81Å; E1605-A1607 PolarHBondContact O-N 2.98Å
1606P26.5Very low29.7Very low70 Ų70103.3 Ų103.346%0.45555%0.553SS.*  trans-74.574.5-164.129.4-35.7000113R396 Y1608R396-P1606 PolarHBondContact NH1-O 3.33Å; P1606-Y1608 HydrophobicContact CG-CE2 4.22Å; P1606-Y1608 WeakPolarHBondContact O-CD2 3.22Å
1607A27.7Very low29.5Very low89 Ų89105.3 Ų105.374%0.73656%0.559SS**  trans13.598.8178.200000115.9E1605 Y1609E1605-A1607 PolarHBondContact O-N 2.98Å; A1607-Y1609 PolarHBondContact O-N 2.72Å
1608Y26.5Very low29.2Very low22 Ų22102 Ų1029%0.08657%0.567CS.*  trans-90.672.8-177.8-82.4-132.2000112.7E392 R393 R396 R399 P1606E392-Y1608 VanDerWaalsContact C-OH 3.31Å; E392-Y1608 HydrophobicContact CG-CE1 4.11Å; E392-Y1608 HydrophobicContact CG-CE2 4.01Å; E392-Y1608 WeakPolarHBondContact O-CE1 3.48Å; E392-Y1608 PolarHBondContact O-OH 3.11Å; E392-Y1608 WeakPolarHBondContact OE1-CE2 3.39Å; E392-Y1608 VanDerWaalsContact OE2-CE2 3.24Å; E392-Y1608 WeakPolarHBondContact OE2-CE2 3.19Å; E392-Y1608 PolarHBondContact OE2-OH 2.85Å; R393-Y1608 WeakPolarHBondContact CA-OH 3.42Å; R393-Y1608 PolarHBondContact N-OH 2.97Å; R396-Y1608 VanDerWaalsContact CA-CE1 3.49Å; R396-Y1608 HydrophobicContact CB-CD1 3.52Å; R396-Y1608 HydrophobicContact CB-CE1 3.18Å; R396-Y1608 HydrophobicContact CG-CD1 3.43Å; R396-Y1608 VanDerWaalsContact CG-CD1 3.43Å; R396-Y1608 HydrophobicContact CG-CE1 3.49Å; R396-Y1608 VanDerWaalsContact CG-CE1 3.49Å; R396-Y1608 HydrophobicContact CG-CG 4.08Å; R396-Y1608 VanDerWaalsContact NH1-CD2 3.31Å; R396-Y1608 PolarHBondContact NH2-OH 3.15Å; R399-Y1608 VanDerWaalsContact CD-O 3.31Å; R399-Y1608 WeakPolarHBondContact CD-O 3.49Å; R399-Y1608 PolarHBondContact NH1-O 2.87Å; P1606-Y1608 HydrophobicContact CG-CE2 4.22Å; P1606-Y1608 WeakPolarHBondContact O-CD2 3.22Å
1609Y29.8Very low28.7Very low172 Ų172105 Ų10568%0.67558%0.583SS**  trans-157.5119.8157.9-90.1-71.2000110R399 A1607R399-Y1609 HydrophobicContact CG-CD1 4.36Å; R399-Y1609 HydrophobicContact CG-CE1 3.82Å; R399-Y1609 VanDerWaalsContact NH1-CE2 3.29Å; A1607-Y1609 PolarHBondContact O-N 2.72Å
1610E25.1Very low28.5Very low77 Ų77104.4 Ų104.436%0.3659%0.585SS.*  trans-138.6141.9165.7-170.5166.9175.400107.7R1452R1452-E1610 WeakPolarHBondContact CD-OE1 3.26Å; R1452-E1610 IonicContact CZ-OE1 3.44Å; R1452-E1610 IonicContact NE-OE1 3.17Å; R1452-E1610 IonicContact NH1-OE1 2.71Å; R1452-E1610 PolarHBondContact NH1-OE1 2.88Å
1611N26Very low28.4Very low65 Ų65105 Ų10535%0.34859%0.588SS.*  trans79.6101.6-173.7-41.5-71.7000116.5Q403Q403-N1611 VanDerWaalsContact CD-O 3.23Å; Q403-N1611 HydrophobicContact CG-CB 4.45Å; Q403-N1611 WeakPolarHBondContact CG-O 3.25Å
1612Q29Very low28.1Very low147 Ų147107 Ų10769%0.68760%0.597SS**  -130.8157.6112.4-81.6-150.6-56.200108.2Q403 D407Q403-Q1612 VanDerWaalsContact NE2-CD 3.35Å; D407-Q1612 PolarHBondContact OD1-NE2 3.44Å
1613F26.3Very low28Very low151 Ų151103.3 Ų103.366%0.66259%0.588SS**  trans-103.1170.6-165-94-112.8000113.6
1614E27.8Very low27.9Very low156 Ų156100.8 Ų100.873%0.72959%0.594SS**  trans49.895.1147.1-72163.1-163.700118.3
1615T26.8Very low27.8Very low121 Ų121106.3 Ų106.374%0.74261%0.605SS**  60.197.69361.80000116
1616G26.6Very low27.9Very low62 Ų62113.3 Ų113.364%0.63963%0.628SS**  trans-155.5138.8163.300000109.4
1617D30.6Very low28Very low112 Ų112114.6 Ų114.660%0.59964%0.636SS**  trans-75.9153-166.1-74-35.6000113.7
1618A27.4Very low28.1Very low97 Ų97115.6 Ų115.680%0.80264%0.637SS**  trans-114.4114.4-176.300000112.9
1619L30.7Very low28Very low143 Ų143120 Ų12075%0.74967%0.667SS**  trans-109.6149.3158.6-76.3168.2000109.8
1620G30.3Very low27.8Very low66 Ų66117.7 Ų117.768%0.6866%0.662SS**  trans135.397.1179.200000112.5
1621S31.1Very low27.7Very low95 Ų95121.5 Ų121.566%0.66468%0.68SS**  trans-90177175.157.20000112.5
1622D28.3Very low27.7Very low123 Ų123125.2 Ų125.266%0.65870%0.695SS**  trans71.1153.7160.1-61-58.8000119.7
1623S27.7Very low27.5Very low76 Ų76124.3 Ų124.353%0.53169%0.691SS.*  cis179.8139.9-28.5179.50000107.3
1624S28.1Very low27.5Very low102 Ų102126 Ų12671%0.71369%0.693SS**  trans154.7119.7149.4-170.20000107.7
1625Y26Very low27.4Very low203 Ų203126.8 Ų126.880%0.79670%0.696SS**  55.3139.465.9-75-82.4000112.4
1626R27.4Very low27.4Very low231 Ų231124.5 Ų124.587%0.87270%0.696SS**  cis-151.2-175.137.3-113.6-147163.7173.9-6112
1627P29Very low27.7Very low96 Ų96129.9 Ų129.962%0.62371%0.709SS**  trans-125.7-169.4-147.746.9-35.6000115.8
1628S29.3Very low27.5Very low110 Ų110129.5 Ų129.577%0.76972%0.715SS**  trans-47.6131.6167.5-39.30000114.5
1629T25.4Very low27.4Very low115 Ų115136.3 Ų136.371%0.70672%0.72SS**  trans-165.1125143.81.20000114.3
1630Q24.3Very low27.2Very low124 Ų124135.7 Ų135.758%0.57972%0.717SS**  trans46.5121.4139.3-66.7169.538.100122.3N1389N1389-Q1630 PolarHBondContact ND2-NE2 3.15Å; N1389-Q1630 VanDerWaalsContact ND2-NE2 3.2Å
1631Q24.3Very low27Very low156 Ų156139.7 Ų139.773%0.72972%0.722SS**  53.7113.2129.3-55.4177.85.600119.7
1632H25.3Very low26.9Very low143 Ų143141 Ų14166%0.66273%0.726SS**  -167.1130.9101.9-99.966.8000108.7
1633Q25.5Very low27.3Very low128 Ų128140.4 Ų140.460%0.59873%0.728SS**  52.9125.596.3-64.9-16566.500113.5
1634R24.9Very low27.3Very low187 Ų187144.2 Ų144.271%0.70674%0.741SS**  cis-168.8174.920.1-115.8170.1-170.7-133.94.7111.5
1635H27.5Very low27.2Very low172 Ų172141.9 Ų141.980%0.79673%0.725SS**  trans73.8115168.7-34.1102.7000115.4
1636G26Very low27.4Very low73 Ų73139.2 Ų139.275%0.75372%0.72SS**  cis111.2114.8-15.100000115.9
1637I32.6Very low27.6Very low175 Ų175130.3 Ų130.390%0.89769%0.692SS**  trans-136.9127.4155.3-81.9168.4000107
1638S25.6Very low27.8Very low104 Ų104129.7 Ų129.773%0.72769%0.69SS**  trans-115.1140.4172.4-51.70000110
1639R26.5Very low28Very low241 Ų241132.6 Ų132.691%0.90970%0.697SS**  trans-176.1151.2148.8-99.2153-170-166.63.9109.2
1640N26.4Very low28.3Very low130 Ų130130.7 Ų130.770%0.69570%0.701SS**  cis176.7150-40.4-127.4-4000106
1641I26.5Very low28.7Very low150 Ų150129.9 Ų129.977%0.76972%0.715SS**  trans69.1144.6156-62.5161000115.6
1642V28.2Very low29.6Very low123 Ų123127.6 Ų127.675%0.74571%0.714SS**  cis-169.4159-36.8111.50000107.2
1643P37.4Very low30.2Very low110 Ų110126.3 Ų126.371%0.71472%0.718SS**  trans-104.2-141.7-156.242.8-39000114.7
1644I26.3Very low30.5Very low155 Ų155127.2 Ų127.280%0.79573%0.726SS**  trans104.3123.2175.6-60163.1000112.8
1645S27.2Very low31.1Very low54 Ų54123.1 Ų123.138%0.37872%0.723SS.*  cis-167.7177.6-17.240.20000110.3T279T279-S1645 CarbonylContact O-C 3.6Å; T279-S1645 WeakPolarHBondContact O-CA 3.33Å; T279-S1645 WeakPolarHBondContact O-CB 3.45Å; T279-S1645 PolarHBondContact O-OG 3.03Å
1646E30.3Very low31.2Very low147 Ų147122.5 Ų122.569%0.68772%0.724SS**  trans-138.6161-174.374.9111.7109.600117.3T279 D280T279-E1646 VanDerWaalsContact C-C 3.48Å; T279-E1646 CarbonylContact C-O 3.49Å; T279-E1646 VanDerWaalsContact C-O 3.27Å; T279-E1646 WeakPolarHBondContact CA-O 3.47Å; T279-E1646 PolarHBondContact N-O 3.18Å; T279-E1646 PolarHBondContact O-N 3.46Å; T279-E1646 VanDerWaalsContact O-N 3.08Å; D280-E1646 VanDerWaalsContact N-C 3.35Å; D280-E1646 PolarHBondContact N-O 3.4Å
1647S31.3Very low31.3Very low43 Ų43130.5 Ų130.530%0.30173%0.732SS.*  trans-170.8-164.3174110.20000111.3D280D280-S1647 WeakPolarHBondContact CB-OG 3.24Å; D280-S1647 WeakPolarHBondContact OD2-CB 3.35Å; D280-S1647 VanDerWaalsContact OD2-O 3.09Å; D280-S1647 PolarHBondContact OD2-OG 3.36Å
1648S33.5Very low31.4Very low83 Ų83126.5 Ų126.558%0.5873%0.725SS**  -169.5151.3-56.265.50000110.7D280D280-S1648 PolarHBondContact OD2-N 2.99Å
1649N32.8Very low31.7Very low171 Ų171129.7 Ų129.791%0.91473%0.728SS**  trans158.8140.9152.5-94.3-70.3000111.5
1650G32.1Very low31.8Very low76 Ų76129.8 Ų129.878%0.78473%0.729SS**  trans-179.1-57.2178.100000119.1
1651A31.6Very low32.1Very low106 Ų106130.7 Ų130.788%0.87673%0.734SS**  trans74.9155.7173.400000121.3
1652P44.4Very low32.2Very low108 Ų108129.5 Ų129.570%0.70173%0.733SS**  trans-133.7179.9-164.644.1-26.3000117.2
1653P37.5Very low32.3Very low117 Ų117130 Ų13076%0.7673%0.727SS**  -142.8145.2120.422.6-1.2000114.7
1654I32.2Very low32Very low147 Ų147133.4 Ų133.475%0.75473%0.726SS**  79.4139.855.4-65.7168.2000112.5
1655P37.2Very low32Very low101 Ų101134.4 Ų134.466%0.65672%0.72SS**  cis-143.3161.4-5.338-16.8000121
1656I30.3Very low32.2Very low159 Ų159140.5 Ų140.582%0.81574%0.736SS**  48.4134.6129.8-54.8164.9000123.2
1657R28.5Very low32.4Very low240 Ų240138.2 Ų138.291%0.90673%0.734SS**  161.5140.1113.9-151.3163.2-169.5142.33.4113
1658A33.7Very low32.3Very low91 Ų91141.5 Ų141.575%0.75275%0.752SS**  cis-158.4168.3-19.700000112
1659Q31.7Very low32.2Very low172 Ų172142.7 Ų142.780%0.80476%0.76SS**  trans-81.9170175.1-56.5171.6-37.800114.2
1660R28.8Very low32Very low243 Ų243140.4 Ų140.492%0.91775%0.753SS**  trans-148125.3131.9-114.7177.3-171.9177.33112.6
1661N32.6Very low31.9Very low149 Ų149141.7 Ų141.780%0.79775%0.75SS**  trans-122131.8175.2-108.1-9.4000109.5
1662T29.6Very low31.7Very low124 Ų124145.1 Ų145.176%0.76175%0.748SS**  trans-165.2131.9175.332.10000107.1
1663E30.3Very low30.9Very low133 Ų133147.2 Ų147.262%0.62175%0.752SS**  cis-147.3149.617.2-68.7-150.8117.200114.1
1664R30.2Very low30.4Very low183 Ų183147.5 Ų147.569%0.69175%0.752SS**  trans48.1149.6137.6-57.9170.1-149.9-1235.5120.3
1665R27.2Very low30.3Very low176 Ų176146.1 Ų146.166%0.66475%0.75SS**  cis-171.4172.7-9.1-102.3-179.8175.9-171-5.5105.5
1666Y30Very low29.8Very low181 Ų181147.6 Ų147.671%0.7175%0.753SS**  cis-154.4-1784.4-123.8-1.9000108.2
1667P36Very low29.7Very low99 Ų99145.1 Ų145.164%0.64375%0.749SS**  trans-108.8-162.2-170.530.7-9.5000112.4
1668T28.3Very low29.7Very low113 Ų113141.8 Ų141.869%0.69374%0.744SS**  cis-172.6165.333.2-270000113.1
1669S31.5Very low29.6Very low107 Ų107143.2 Ų143.275%0.74874%0.739SS**  trans88.9151.5147.6-58.80000120.4
1670T28.3Very low29.4Very low123 Ų123143.8 Ų143.876%0.75574%0.742SS**  cis174.5153.4-37.7-94.90000109.6
1671S30.3Very low29.7Very low104 Ų104137.6 Ų137.673%0.72773%0.733SS**  trans96.9126.2174.7-39.60000113.9
1672Q26.8Very low29.9Very low177 Ų177135.5 Ų135.583%0.82773%0.727SS**  cis100.915429.6-76.4-165.4-100114.6
1673L28.6Very low29.9Very low152 Ų152136.8 Ų136.880%0.79673%0.729SS**  trans78.2106.4-178.2-50.1176.8000113
1674T27.3Very low29.7Very low123 Ų123137.9 Ų137.976%0.75574%0.739SS**  cis78.3127.336.7-45.70000113.7
1675V29.2Very low29.6Very low118 Ų118132.4 Ų132.472%0.71573%0.733SS**  trans155117.6138.3161.60000112
1676N27Very low29.5Very low133 Ų133131.2 Ų131.271%0.71174%0.74SS**  trans37.4120.6141.9-54.3-7.7000120.7
1677S28Very low29.4Very low106 Ų106130.1 Ų130.174%0.74175%0.746SS**  85127.967.8-61.10000114.8
1678Q29.4Very low29Very low170 Ų170130.6 Ų130.679%0.79475%0.751SS**  172.8147118.3-96.8-178.80.600115.4
1679N31.6Very low28.9Very low121 Ų121136.6 Ų136.665%0.64776%0.761SS**  trans67.188.6143.7-57.5-10.3000123.3
1680Q27.3Very low28.7Very low185 Ų185138.2 Ų138.286%0.86476%0.761SS**  75.4155.6119.4-70.6-177.1400123.1
1681P35.1Very low28.7Very low112 Ų112139.1 Ų139.173%0.72776%0.761SS**  trans-119.2-149.6-174.845.6-27.9000110.5
1682P36.6Very low28.7Very low105 Ų105142.5 Ų142.568%0.68277%0.765SS**  cis-135.4-157.6-9.929.6-3.2000114.1
1683L28.8Very low28.8Very low152 Ų152143 Ų14380%0.79676%0.761SS**  trans98.7103.4155.2-61.9170000121.5
1684N26.6Very low28.6Very low155 Ų155145.9 Ų145.983%0.82976%0.761SS**  74.6141.3116.9-127.64.2000124.6
1685A28Very low28.6Very low69 Ų69147.5 Ų147.557%0.5777%0.765SS**  trans71.9105.4147.500000123.7
1686N25.1Very low28.5Very low150 Ų150147 Ų14780%0.80277%0.773SS**  74.4159.8125-60.8-13.8000123.4
1687L26.9Very low28.6Very low159 Ų159144 Ų14483%0.83277%0.773SS**  trans77.690.6160.2-72.3141.6000120.4
1688S27.5Very low28.5Very low108 Ų108146.2 Ų146.276%0.75577%0.774SS**  38.6101.8114.8-48.50000120.4
1689R27.7Very low28.6Very low239 Ų239144 Ų14490%0.90278%0.776SS**  trans-160.3126.5143.5-94.4145.8-169.3164.44.8105.8
1690N25.7Very low28.5Very low142 Ų142143.8 Ų143.876%0.75978%0.775SS**  cis68.192.742.5-156.1-0.9000112.8
1691L29.7Very low28.4Very low142 Ų142141.5 Ų141.574%0.74377%0.768SS**  trans171109.4171.6-96.1158.2000104.9Y1693L1691-Y1693 HydrophobicContact CD2-CD2 4.01Å; L1691-Y1693 HydrophobicContact CD2-CE2 3.95Å
1692Q29.6Very low28Very low175 Ų175141.9 Ų141.982%0.81876%0.764SS**  cis64.258.448.2-73.3-162.3-19.600116.4
1693Y28.5Very low27.6Very low188 Ų188147.5 Ų147.574%0.73777%0.773SS**  trans-156144.5158.4-88.8-92000109L1691L1691-Y1693 HydrophobicContact CD2-CD2 4.01Å; L1691-Y1693 HydrophobicContact CD2-CE2 3.95Å
1694R25.4Very low27.4Very low212 Ų212144.5 Ų144.580%0.877%0.765SS**  cis-166162.4-26.1-145.1-176.1-169171.63.2109.7
1695N26.6Very low27.3Very low157 Ų157142.5 Ų142.584%0.8475%0.75SS**  trans-56.7143.4-178.1-43-4.7000115.9
1696A26.4Very low27.3Very low107 Ų107145.7 Ų145.788%0.88476%0.756SS**  trans171.7139.9136.400000109.7
1697G31Very low27.3Very low69 Ų69145.6 Ų145.671%0.71175%0.751SS**  cis-131.7165.8-14.500000109.2
1698M25.8Very low27.3Very low154 Ų154144.2 Ų144.276%0.75974%0.744SS**  70.870.552-62.8-127.969.900114.6D1700M1698-D1700 HydrophobicContact CE-CB 4.2Å; M1698-D1700 WeakPolarHBondContact CE-OD2 3.33Å
1699C30.9Very low27.2Very low124 Ų124145.8 Ų145.884%0.83874%0.74SS**  -139.4127.9119.4-74.20000104.5
1700D28.4Very low27.2Very low116 Ų116141 Ų14162%0.6274%0.74SS**  cis49.883.217.8-73.18.6000112.3M1698M1698-D1700 HydrophobicContact CE-CB 4.2Å; M1698-D1700 WeakPolarHBondContact CE-OD2 3.33Å
1701D26.9Very low27.4Very low136 Ų136137.3 Ų137.373%0.72773%0.725SS**  -176.7132.8110.8-99.3-38.8000114
1702N24.9Very low27.4Very low121 Ų121137.8 Ų137.865%0.64772%0.723SS**  trans24.197139.3-63-67.7000119.9
1703Y28.8Very low27.5Very low222 Ų222136.8 Ų136.887%0.87172%0.723SS**  trans-136.155.2147.9-92.3-72.4000112.6
1704S25.5Very low27.6Very low90 Ų90134.1 Ų134.163%0.62972%0.717SS**  trans-73.1151.9136.254.50000108.8
1705F23.6Very low28Very low113 Ų113132.6 Ų132.650%0.49671%0.711SS.*  trans74.8132.2-153.5-67.8-99.6000111.9D170 L172D170-F1705 HydrophobicContact CB-CE1 4.27Å; L172-F1705 HydrophobicContact CD1-CE2 4.39Å; L172-F1705 HydrophobicContact CD1-CZ 4.02Å; L172-F1705 HydrophobicContact CD2-CE2 3.84Å; L172-F1705 HydrophobicContact CD2-CZ 3.64Å; L172-F1705 HydrophobicContact CG-CE2 4.39Å; L172-F1705 HydrophobicContact CG-CZ 3.81Å
1706L28.1Very low28.3Very low136 Ų136136.1 Ų136.171%0.71271%0.713SS**  cis-115.2166.29-90.8166.1000114.3D170D170-L1706 WeakPolarHBondContact OD2-CD2 3.17Å
1707H25.8Very low28.8Very low148 Ų148137.9 Ų137.969%0.68571%0.706SS**  trans-91.1167.4-174.9-124.7-99.1000113
1708N26Very low28.9Very low130 Ų130140.9 Ų140.970%0.69570%0.7SS**  trans71.1138.9157.5-55.4-21.4000118.2
1709E25.9Very low29.1Very low141 Ų141142.6 Ų142.666%0.65970%0.703SS**  cis-140.7145.2-11-73-151.413400111.2S1711E1709-S1711 VanDerWaalsContact CD-OG 3.31Å; E1709-S1711 PolarHBondContact O-N 3.34Å; E1709-S1711 WeakPolarHBondContact OE2-CB 3.15Å; E1709-S1711 PolarHBondContact OE2-OG 2.7Å
1710P27.7Very low29Very low139 Ų139148 Ų14890%0.90372%0.724SS**  trans-87.948161.337.1-33.9000112.1
1711S29.3Very low29.1Very low63 Ų63149.6 Ų149.644%0.44173%0.729SS.*  trans-101.3154.8176.6-70.60000112.2E1709E1709-S1711 VanDerWaalsContact CD-OG 3.31Å; E1709-S1711 PolarHBondContact O-N 3.34Å; E1709-S1711 WeakPolarHBondContact OE2-CB 3.15Å; E1709-S1711 PolarHBondContact OE2-OG 2.7Å
1712Q30.8Very low29.2Very low153 Ų153150.3 Ų150.372%0.71573%0.729SS**SBendtrans98.1-56.4173.2-57.4-74.85.700117.1E1714 R1715Q1712-E1714 PolarHBondContact O-N 3.46Å; Q1712-R1715 PolarHBondContact O-N 3.08Å
1713L30.7Very low29.4Very low154 Ų154151.9 Ų151.981%0.80673%0.733SS**G310 helixtrans-66.5-42.3-162.9-139.376.6000114.7R1715 R1716L1713-R1715 PolarHBondContact O-N 3.23Å; L1713-R1716 PolarHBondContact O-N 3.38Å
1714E30.6Very low29.4Very low131 Ų131147.8 Ų147.861%0.61273%0.725SS**G310 helixtrans-60.1-20.6180-78-161.989.600114.7Q1712 R1716 K1718Q1712-E1714 PolarHBondContact O-N 3.46Å; E1714-R1716 PolarHBondContact O-N 3.41Å; E1714-K1718 IonicContact OE1-NZ 3.53Å; E1714-K1718 PolarHBondContact OE1-NZ 2.85Å
1715R33.6Very low29.7Very low180 Ų180151.4 Ų151.468%0.67973%0.731SS**G310 helixtrans-75.3-5-178-62.4-170.4-173.3-159.43.9113.6Q1712 L1713Q1712-R1715 PolarHBondContact O-N 3.08Å; L1713-R1715 PolarHBondContact O-N 3.23Å
1716R33.6Very low30.1Very low232 Ų232154 Ų15488%0.87575%0.747SS**G310 helixtrans-104.5-15.5179-90.3-175.4164.8174.4-3.5116.2L1713 E1714L1713-R1716 PolarHBondContact O-N 3.38Å; E1714-R1716 PolarHBondContact O-N 3.41Å
1717L37.1Very low30.2Very low144 Ų144155.3 Ų155.375%0.75475%0.749SS**THydrogen-bonded Turntrans-95.9-19.3-179.1-77.5164.3000114.5K1719L1717-K1719 PolarHBondContact O-N 3.31Å
1718K33.9Very low30.6Very low131 Ų131155.8 Ų155.857%0.5775%0.754SS**SBendtrans-82.340.9176.7-77164.6176.7155.30113.4E1714E1714-K1718 IonicContact OE1-NZ 3.53Å; E1714-K1718 PolarHBondContact OE1-NZ 2.85Å
1719K28.5Very low31Very low190 Ų190158 Ų15883%0.82676%0.759SS**  trans-154.967.2172.1-86.2-160.6175.9-174.20112.6L1717L1717-K1719 PolarHBondContact O-N 3.31Å
1720N30Very low31.4Very low238 Ų238159.5 Ų159.5100%1.27377%0.769SS**  trans-167.50146.8-95.7-21.8000108.7

Retrieved 1,720 of 1,720 residues in 697.2 ms (Link to these results)