A0A077ZDD0_TRITR Loading...

Caprin-1 dimerization domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZDD0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,535 aa.

>A0A077ZDD0_TRITR|A0A077ZDD0
MNSQSQYFMFHGAERQTLNTPASTQLTVPAHAHHQQWNDWYRNCMVDAATAAAFPFSMGNDRSAQLLLPNFYSGFPQQTASPLAVAGKDAGACQSSFHPTPPLHGMMRTADVTQGNPGAMSGLVQRSATNFPVGTGLDGGGVQTPLPSGMYFPTAAPSNTSRFCSNDPVGMCTAGAAPSFGINSTVLDSQAATMVAQAAVLANHCSTNFYGAGSHGSTFFGGLPHQNNAMHPSMALASKPRQSPCLGVSSVVHHHPHHHVQQQQATQQQQQQQQQQQLASQSMMTHTGSGMASMVNAVDVNNGAVQVAYSPQSSVRSMPPYSNDSFESSKAHQGIAMTQGYPSPATHYSQQQQLSASQLDAHLQSSFLKGNYLQQQTATAQQQAVVMSQRNIVNGSVPSVSDPSSTCHLAEAGRLQSFSSQNVIQQQQQQQQQQHPGFMSSMGQQCFQHSQFLPNTTAVRMNEAAYKQFPSTTDCQPTTTGAMQSGMPNVCQGENVHKAHLQGQVLEQSATGGAMVPTVGKPKRRDRQRRKEREIAEVDQALNRHLTMLARNSRPADSVSLKYQTTKNYDGAPSRAPFAAEFLRAPFVLPIDRPSSSSSELLSRCASTSPVQFTYLPLSPTNDSSFVPGVWKGATIAHLYIKNPLEMVNSPVGTPGDSNSPSKKGGSNKVPVYKQQNRLEPVVGQSTGSVGSRDRGGSSPYNFNEYDFETTKPNSSSFLVNNSNNGATVLSPSSKLSGDRQERLIDDEVKQKLLNISTLHPELRSAVGTTSVLDAQAGSYPRLILRIPKECLNDANSQPCLDQEGRMRKRRRTKRKEANSEAPIVPAVISSRDDSCVKASTSNCLTNPFPFGQAACAITSGGNINAVDSKADSSSDSGIVCDSKEESPAFSGGQMEVVELPSAAGTQAAITEPFCSFGRPRGVGDEPIPKTSSVYPVSHSMQPTNCFEVMPTVKSQSQDEQSRGESQNSQGSEVSADAGAQIKQILEKKIRNLEKRRAKLIQVKEEMEKGKEIHPEQKKAIERVAEVDYQLEFSRDLLKNVLSVVQDQLGFPTYYLLQCHRLTKAQQRKEYRERMQAEQERMRDLLNMQELLNMLGSEDVRRNFTEGINGAVAISSENLALLDYLYQKICPSHDDLGPGDNWNLILEEAGECASLLVSGSQRLVPTTKVSFKSARMVIEQIQNCEFYKRRTIIDPDDGTAVVTNDGKSSINEGLSNSFGGLSMTITNGNLAGDCCAKASPEMLGHMHHGHLSFLQEDQTMLTGTQPHFNNMNFVPVGMNNVYPMAMGTIYSQSAVPLQGNHVVYASGLGIDMNNPICPPAASENAFDGSLPAAVVENRFVRQSQNVGYMDYMQAQQEVQQPVAQPQQQPFKEEPVNVVPPPSSTVEARNVVEDFTEPLEDDFSGFQDVRGSRSKMRRENKANNLTGHFADGGGPRGGGGGRFGGSRGRFAGRRGGFPLRGRRGASNSGEEYSQAAAGAGEVTFGRWEDHQESGTSVRGNRGQSGRGNFGRGGPRGSDHFGGRGGFQRGSGFGQAE
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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
1M35.5Very low32.5Very low222 Ų222163.7 Ų163.7100%1.09480%0.798SS**  087.20-66.4156.4175.200106.3
2N29.3Very low32.4Very low133 Ų133156.4 Ų156.471%0.71180%0.796SS**  cis59.6139.123.3-45.548.8000111.1
3S33.2Very low32.8Very low102 Ų102152.3 Ų152.371%0.71380%0.801SS**  cis-132.3160.718-60.50000109.9
4Q33.8Very low33Very low181 Ų181155.1 Ų155.185%0.84681%0.807SS**  50.9141.863.3-87.3-177.3-27.300113.6
5S32.9Very low32.8Very low89 Ų89159.1 Ų159.162%0.62281%0.808SS**  cis-166.4157.1-10.4-171.60000106.8
6Q35.2Very low33Very low174 Ų174161.6 Ų161.681%0.81382%0.815SS**  168.8135.491.1-77.4169.7-0.300104.5
7Y28.1Very low32.9Very low195 Ų195158.8 Ų158.877%0.76581%0.808SS**  64.6107.654.2-94-75.9000117.1M9Y7-M9 HydrophobicContact CD1-CG 4.22Å; Y7-M9 HydrophobicContact CE1-CG 4.43Å
8F31.2Very low33.1Very low196 Ų196158.7 Ų158.786%0.8681%0.809SS**  trans-133.1145.6151.2-110.1-90.3000107.9
9M30.2Very low33.2Very low138 Ų138158.3 Ų158.368%0.6881%0.809SS**  trans-128.2152.3177.6-65.1-172.1-63.600109.8Y7Y7-M9 HydrophobicContact CD1-CG 4.22Å; Y7-M9 HydrophobicContact CE1-CG 4.43Å
10F32.8Very low33.1Very low198 Ų198157 Ų15787%0.86881%0.809SS**  trans-141.4143.8156.7-103.8-83.6000111
11H35.4Very low33.4Very low173 Ų173155.8 Ų155.880%0.80181%0.811SS**  trans-84.2166.2170.7-61.4-117.9000109
12G31.9Very low33.3Very low76 Ų76149.7 Ų149.778%0.78480%0.796SS**  cis129.6108.3-0.900000112.6
13A36.6Very low33.4Very low103 Ų103149 Ų14985%0.85180%0.802SS**  trans-175164.4170.800000109.1
14E36Very low33.5Very low192 Ų192150.7 Ų150.790%0.89781%0.808SS**  cis-152.8163.1-43.8-173.9160-152.300107.6
15R29.9Very low33.4Very low215 Ų215150.6 Ų150.681%0.81181%0.808SS**  trans-101150.3-174.8-71.8-178.3169.7-143.8-0.7113.4
16Q36.1Very low33.4Very low199 Ų199154.5 Ų154.593%0.9382%0.821SS**  trans-135.5157.4144-67.5-163.38.200111
17T32Very low33.4Very low113 Ų113152.1 Ų152.169%0.69382%0.818SS**  trans-151.4142.2-169.151.20000110.9
18L35.5Very low33.7Very low158 Ų158148.9 Ų148.983%0.82782%0.818SS**  trans-148.6106.5174-110.3157.7000114
19N34.8Very low33.9Very low150 Ų150145.5 Ų145.580%0.80282%0.816SS**  trans31.8133.9147.2-55.2-10000123
20T31.1Very low33.9Very low133 Ų133143.2 Ų143.282%0.81682%0.819SS**  trans-104.4163.2160.350.10000112.1
21P39.7Very low34Very low131 Ų131143.1 Ų143.185%0.85182%0.821SS**  trans-108.6174.5150.236.7-28000111.5
22A33.9Very low34Very low94 Ų94139.6 Ų139.678%0.77782%0.822SS**  trans-135.6154.9-165.500000115.7
23S32.3Very low34Very low120 Ų120142.6 Ų142.684%0.83982%0.815SS**  trans38124.1150.5-58.80000121.6
24T34.8Very low34.5Very low136 Ų136144.8 Ų144.883%0.83481%0.807SS**  trans-135.4133.8143.9-55.20000108.8
25Q31.8Very low35.1Very low180 Ų180142.7 Ų142.784%0.84180%0.798SS**  trans-98.7148.8168.9-70.9-169.112.800110.5
26L32.7Very low35.8Very low171 Ų171140.1 Ų140.190%0.89580%0.795SS**  trans-150.9160.9160.4-109.6165.7000110.3
27T34Very low35.9Very low124 Ų124138.1 Ų138.176%0.76178%0.779SS**  trans-110.4152.3-160.8-50.80000113.4
28V35.2Very low36.9Very low127 Ų127136 Ų13677%0.7776%0.763SS**  trans-56.6156.6-177.9-138.70000114.6
29P34.3Very low38Very low125 Ų125132.6 Ų132.681%0.81275%0.746SS**  -126.9150.8124.437.2-30.9000112.8
30A30.8Very low39.3Very low89 Ų89132.9 Ų132.974%0.73674%0.736SS**  trans-94.3149.3-169.700000114.6
31H34.8Very low40.5Very low196 Ų196130.3 Ų130.391%0.90771%0.712SS**  trans-162.7153.4153.5-115.5-81000111.5
32A34.8Very low41.6Very low100 Ų100131.8 Ų131.883%0.82670%0.7SS**  trans67126.1176.200000117.3
33H33.1Very low43.2Very low138 Ų138131.9 Ų131.964%0.63969%0.688SS**  trans-120.284.6-169.3-163.5-108.1000110.5D1134H33-D1134 IonicContact CE1-OD1 3.66Å; H33-D1134 PolarHBondContact CE1-OD1 2.87Å; H33-D1134 IonicContact CE1-OD2 3.44Å; H33-D1134 PolarHBondContact CE1-OD2 2.95Å; H33-D1134 VanDerWaalsContact CE1-OD2 3.32Å; H33-D1134 IonicContact ND1-OD1 2.73Å; H33-D1134 IonicContact ND1-OD2 3.34Å; H33-D1134 PolarHBondContact ND1-OD2 3.36Å
34H45.9Very low44.5Very low149 Ų149128.6 Ų128.669%0.6966%0.664SS**SBendtrans-161.6-3.9165.7-137.9-54.4000117.3
35Q49.3Very low45.5Very low149 Ų149126.6 Ų126.670%0.69665%0.647SS**SBendtrans-104.1-23-173.9-73.1175.8-62.600115.3W37 N38 D39Q35-W37 VanDerWaalsContact C-N 3.26Å; Q35-W37 PolarHBondContact O-N 2.7Å; Q35-W37 VanDerWaalsContact O-N 3.07Å; Q35-N38 PolarHBondContact O-N 3.32Å; Q35-D39 PolarHBondContact O-N 2.66Å
36Q45.2Very low46.7Very low160 Ų160122.1 Ų122.175%0.74863%0.631SS**Hα-helixtrans-61.7-26.7-166.8-166.3173.67.200114.7W40Q36-W40 VanDerWaalsContact O-CB 3.23Å; Q36-W40 WeakPolarHBondContact O-CB 3.29Å; Q36-W40 PolarHBondContact O-N 3.39Å
37W38Very low47.6Very low158 Ų158119.2 Ų119.260%0.59862%0.617SS**Hα-helixtrans-69.7-41.3175.8-172.478.5000112.5Q35 W40 Y41Q35-W37 VanDerWaalsContact C-N 3.26Å; Q35-W37 PolarHBondContact O-N 2.7Å; Q35-W37 VanDerWaalsContact O-N 3.07Å; W37-W40 PolarHBondContact O-N 2.97Å; W37-Y41 VanDerWaalsContact O-CB 3.27Å; W37-Y41 WeakPolarHBondContact O-CB 3.34Å; W37-Y41 PolarHBondContact O-N 3.39Å
38N53.1Low48.1Very low68 Ų68116.2 Ų116.236%0.36460%0.604SS.*Hα-helixtrans-68.1-38.8177.2-77.1-22.7000111.5Q35 Y41 R42Q35-N38 PolarHBondContact O-N 3.32Å; N38-Y41 PolarHBondContact O-N 3.43Å; N38-R42 WeakPolarHBondContact O-CB 3.29Å; N38-R42 WeakPolarHBondContact O-CG 3.39Å; N38-R42 PolarHBondContact O-N 3.25Å
39D58.1Low48.5Very low86 Ų86111.5 Ų111.546%0.4658%0.579SS.*Hα-helixtrans-68.4-40.9174.8-66.5-33.7000111.6Q35 N43Q35-D39 PolarHBondContact O-N 2.66Å; D39-N43 VanDerWaalsContact O-CB 3.28Å; D39-N43 WeakPolarHBondContact O-CB 3.19Å; D39-N43 VanDerWaalsContact O-CG 3.22Å; D39-N43 PolarHBondContact O-N 2.67Å; D39-N43 PolarHBondContact O-ND2 3.32Å
40W62Low49.3Very low157 Ų157108.7 Ų108.760%0.59556%0.56SS**Hα-helixtrans-63.1-42.3173.3-177.877.4000111.7Q36 W37 N43 C44Q36-W40 VanDerWaalsContact O-CB 3.23Å; Q36-W40 WeakPolarHBondContact O-CB 3.29Å; Q36-W40 PolarHBondContact O-N 3.39Å; W37-W40 PolarHBondContact O-N 2.97Å; W40-N43 PolarHBondContact O-N 3.07Å; W40-C44 VanDerWaalsContact CE2-SG 3.53Å; W40-C44 WeakPolarHBondContact O-CB 3.28Å; W40-C44 PolarHBondContact O-N 2.84Å; W40-C44 PolarHBondContact O-SG 3.44Å
41Y56.2Low50Low78 Ų78108 Ų10831%0.30655%0.554SS.*Hα-helixtrans-66.2-43.4177.7-170.8-107000112.3W37 N38 C44 M45 L1086W37-Y41 VanDerWaalsContact O-CB 3.27Å; W37-Y41 WeakPolarHBondContact O-CB 3.34Å; W37-Y41 PolarHBondContact O-N 3.39Å; N38-Y41 PolarHBondContact O-N 3.43Å; Y41-C44 PolarHBondContact O-N 2.97Å; Y41-M45 HydrophobicContact CD1-CG 4.48Å; Y41-M45 HydrophobicContact CE1-CE 3.54Å; Y41-M45 HydrophobicContact CE1-CG 4.26Å; Y41-M45 WeakPolarHBondContact O-CB 3.49Å; Y41-M45 WeakPolarHBondContact O-CG 3.14Å; Y41-M45 PolarHBondContact O-N 3.43Å; Y41-M45 WeakPolarHBondContact OH-CE 3.43Å; Y41-L1086 HydrophobicContact CE1-CD2 4.23Å
42R63.6Low50.3Low162 Ų162101.9 Ų101.961%0.61154%0.537SS*.Hα-helixtrans-62.8-45.2173.4-77-176.9-179.5-118.80.4111.6N38 M45 V46N38-R42 WeakPolarHBondContact O-CB 3.29Å; N38-R42 WeakPolarHBondContact O-CG 3.39Å; N38-R42 PolarHBondContact O-N 3.25Å; R42-M45 PolarHBondContact O-N 3.45Å; R42-V46 WeakPolarHBondContact O-CB 3.03Å; R42-V46 VanDerWaalsContact O-CG2 3.29Å; R42-V46 WeakPolarHBondContact O-CG2 3.49Å; R42-V46 PolarHBondContact O-N 3.43Å
43N67.7Low50.5Low96 Ų96100.1 Ų100.151%0.51352%0.522SS..Hα-helixtrans-65.2-43.1177.5-72.3-43.3000111.7D39 W40 M45 V46 D47D39-N43 VanDerWaalsContact O-CB 3.28Å; D39-N43 WeakPolarHBondContact O-CB 3.19Å; D39-N43 VanDerWaalsContact O-CG 3.22Å; D39-N43 PolarHBondContact O-N 2.67Å; D39-N43 PolarHBondContact O-ND2 3.32Å; W40-N43 PolarHBondContact O-N 3.07Å; N43-M45 PolarHBondContact O-N 3.05Å; N43-V46 PolarHBondContact O-N 3.09Å; N43-D47 WeakPolarHBondContact O-CB 3.41Å; N43-D47 PolarHBondContact O-N 2.81Å
44C59.2Low50.6Low51 Ų51100.1 Ų100.135%0.34552%0.521SS..Hα-helixtrans-66.9-34175-74.60000113.4W40 Y41 A48W40-C44 VanDerWaalsContact CE2-SG 3.53Å; W40-C44 WeakPolarHBondContact O-CB 3.28Å; W40-C44 PolarHBondContact O-N 2.84Å; W40-C44 PolarHBondContact O-SG 3.44Å; Y41-C44 PolarHBondContact O-N 2.97Å; C44-A48 WeakPolarHBondContact O-CB 3.46Å; C44-A48 PolarHBondContact O-N 2.6Å
45M55Low50.2Low95 Ų9598.8 Ų98.847%0.46853%0.525SS..Hα-helixtrans-63.7-45.4169.6-86.7-105.6-149.100111.7Y41 R42 N43 A49 L1086Y41-M45 HydrophobicContact CD1-CG 4.48Å; Y41-M45 HydrophobicContact CE1-CE 3.54Å; Y41-M45 HydrophobicContact CE1-CG 4.26Å; Y41-M45 WeakPolarHBondContact O-CB 3.49Å; Y41-M45 WeakPolarHBondContact O-CG 3.14Å; Y41-M45 PolarHBondContact O-N 3.43Å; Y41-M45 WeakPolarHBondContact OH-CE 3.43Å; R42-M45 PolarHBondContact O-N 3.45Å; N43-M45 PolarHBondContact O-N 3.05Å; M45-A49 WeakPolarHBondContact O-CB 3.46Å; M45-A49 PolarHBondContact O-N 3.47Å; M45-L1086 HydrophobicContact CE-CD1 4.31Å
46V58.7Low49.3Very low85 Ų85100.6 Ų100.652%0.51553%0.531SS..Hα-helixtrans-68.3-44.7179.6170.30000110.9R42 N43 A48 A49 T50R42-V46 WeakPolarHBondContact O-CB 3.03Å; R42-V46 VanDerWaalsContact O-CG2 3.29Å; R42-V46 WeakPolarHBondContact O-CG2 3.49Å; R42-V46 PolarHBondContact O-N 3.43Å; N43-V46 PolarHBondContact O-N 3.09Å; V46-A48 PolarHBondContact O-N 2.64Å; V46-A49 PolarHBondContact O-N 3.33Å; V46-T50 VanDerWaalsContact O-CB 3.3Å; V46-T50 WeakPolarHBondContact O-CB 3.31Å; V46-T50 PolarHBondContact O-N 2.95Å; V46-T50 PolarHBondContact O-OG1 3.09Å
47D49.6Very low48.5Very low110 Ų11098.5 Ų98.559%0.58853%0.534SS*.Hα-helixtrans-64.5-39.8175.3-79.4-25.8000111.9N43 T50 A51N43-D47 WeakPolarHBondContact O-CB 3.41Å; N43-D47 PolarHBondContact O-N 2.81Å; D47-T50 PolarHBondContact O-N 3.27Å; D47-A51 WeakPolarHBondContact O-CB 3.42Å; D47-A51 PolarHBondContact O-N 3.06Å
48A45.1Very low48.3Very low61 Ų6199.2 Ų99.250%0.50455%0.546SS..Hα-helixtrans-67.2-40.1174.600000112C44 V46 A52C44-A48 WeakPolarHBondContact O-CB 3.46Å; C44-A48 PolarHBondContact O-N 2.6Å; V46-A48 PolarHBondContact O-N 2.64Å; A48-A52 VanDerWaalsContact O-CB 3.28Å; A48-A52 WeakPolarHBondContact O-CB 3.48Å; A48-A52 PolarHBondContact O-N 2.94Å
49A43.7Very low47.4Very low28 Ų2899.6 Ų99.623%0.23157%0.567CS.*Hα-helixtrans-63.5-45.5173.300000111.7M45 V46 A52 A53 M1223M45-A49 WeakPolarHBondContact O-CB 3.46Å; M45-A49 PolarHBondContact O-N 3.47Å; V46-A49 PolarHBondContact O-N 3.33Å; A49-A52 CarbonylContact O-C 3.55Å; A49-A52 PolarHBondContact O-N 2.84Å; A49-A53 VanDerWaalsContact O-CB 3.28Å; A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.46Å; A49-M1223 HydrophobicContact CB-CE 3.64Å
50T51.4Low46.3Very low67 Ų67103.8 Ų103.841%0.41159%0.589SS.*Hα-helixtrans-67.4-40.3178.2-63.80000111.5V46 D47 A52 A53 F54V46-T50 VanDerWaalsContact O-CB 3.3Å; V46-T50 WeakPolarHBondContact O-CB 3.31Å; V46-T50 PolarHBondContact O-N 2.95Å; V46-T50 PolarHBondContact O-OG1 3.09Å; D47-T50 PolarHBondContact O-N 3.27Å; T50-A52 VanDerWaalsContact C-N 3.31Å; T50-A52 PolarHBondContact O-N 3.06Å; T50-A53 PolarHBondContact O-N 3.25Å; T50-A53 VanDerWaalsContact O-N 3.12Å; T50-F54 HydrophobicContact CG2-CE2 3.98Å; T50-F54 VanDerWaalsContact O-CD2 3.26Å; T50-F54 WeakPolarHBondContact O-CD2 3.25Å
51A45.5Very low45Very low75 Ų75104.3 Ų104.362%0.6260%0.604SS**Hα-helixtrans-64.4-33.9172.700000112.5D47 A53D47-A51 WeakPolarHBondContact O-CB 3.42Å; D47-A51 PolarHBondContact O-N 3.06Å; A51-A53 VanDerWaalsContact C-N 3.35Å
52A41.5Very low43.8Very low66 Ų66111.5 Ų111.555%0.54563%0.63SS.*Hα-helixtrans-76.7-17.7172.700000113.8A48 A49 T50A48-A52 VanDerWaalsContact O-CB 3.28Å; A48-A52 WeakPolarHBondContact O-CB 3.48Å; A48-A52 PolarHBondContact O-N 2.94Å; A49-A52 CarbonylContact O-C 3.55Å; A49-A52 PolarHBondContact O-N 2.84Å; T50-A52 VanDerWaalsContact C-N 3.31Å; T50-A52 PolarHBondContact O-N 3.06Å
53A39.5Very low42.3Very low63 Ų63109 Ų10952%0.52164%0.637SS.*THydrogen-bonded Turntrans-89.1-5.8-176.400000114.7A49 T50 A51 P55A49-A53 VanDerWaalsContact O-CB 3.28Å; A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.46Å; T50-A53 PolarHBondContact O-N 3.25Å; T50-A53 VanDerWaalsContact O-N 3.12Å; A51-A53 VanDerWaalsContact C-N 3.35Å; A53-P55 VanDerWaalsContact O-CD 3.31Å; A53-P55 WeakPolarHBondContact O-CD 3.36Å
54F33.3Very low40.7Very low139 Ų139109 Ų10961%0.6165%0.651SS**  trans-84.2113.7176.6-83.9-75.6000112.3T50 F56T50-F54 HydrophobicContact CG2-CE2 3.98Å; T50-F54 VanDerWaalsContact O-CD2 3.26Å; T50-F54 WeakPolarHBondContact O-CD2 3.25Å; F54-F56 HydrophobicContact CB-CD2 4.46Å; F54-F56 PolarHBondContact O-N 3.1Å
55P37.8Very low39.3Very low121 Ų121114.9 Ų114.979%0.78667%0.673SS**  trans-80.386.5-176.533-35.4000111.7A53 S57A53-P55 VanDerWaalsContact O-CD 3.31Å; A53-P55 WeakPolarHBondContact O-CD 3.36Å; P55-S57 VanDerWaalsContact C-N 3.35Å; P55-S57 PolarHBondContact O-N 2.98Å
56F30.6Very low38.3Very low187 Ų187118.7 Ų118.782%0.8269%0.694SS**  trans-72.685.6173.7-94.1-78.2000112.6F54 M58F54-F56 HydrophobicContact CB-CD2 4.46Å; F54-F56 PolarHBondContact O-N 3.1Å; F56-M58 PolarHBondContact O-N 3.29Å
57S29.3Very low37Very low115 Ų115121.8 Ų121.880%0.80471%0.707SS**  trans-69.4112.6164.2-177.50000110.6P55P55-S57 VanDerWaalsContact C-N 3.35Å; P55-S57 PolarHBondContact O-N 2.98Å
58M32.8Very low36.1Very low173 Ų173123.7 Ų123.785%0.85272%0.716SS**  trans-140.3136.3157.8-78.4-151.9-69.300110.4F56F56-M58 PolarHBondContact O-N 3.29Å
59G34Very low35.6Very low77 Ų77125.5 Ų125.579%0.79472%0.723SS**  trans-78.9157.1-174.200000114.2
60N35.5Very low34.9Very low174 Ų174131.4 Ų131.493%0.9375%0.751SS**  trans-72.7123.3165.1-84.2-59.2000109.9
61D34.5Very low33.8Very low168 Ų168136.5 Ų136.590%0.89877%0.768SS**  trans-133140.3158-132.1-29.8000109.9
62R32.1Very low33.1Very low229 Ų229142.7 Ų142.786%0.86478%0.777SS**  trans-122.6137.3-166-117.2-175.4178.1-168.2-0.3112.5
63S32Very low32.5Very low109 Ų109144 Ų14476%0.76278%0.781SS**  trans63.798.315357.20000120.2
64A33.5Very low32.1Very low96 Ų96144.2 Ų144.279%0.79379%0.79SS**  trans-140.3106.2133.200000107.5
65Q30.8Very low32Very low175 Ų175146.8 Ų146.882%0.81880%0.801SS**  47.2107.287-67.3-168.353.100114.3
66L32.5Very low31.8Very low175 Ų175145.4 Ų145.492%0.91679%0.793SS**  -166.9140106.1-100.5164.3000112
67L32.2Very low31.9Very low149 Ų149145 Ų14578%0.7879%0.793SS**  trans-99.3144.9179.7-101.3158.9000111
68L31.4Very low32.1Very low150 Ų150148 Ų14879%0.78580%0.795SS**  trans70.9156.6158.7-64.8160.6000117
69P33.7Very low32.1Very low99 Ų99145.4 Ų145.464%0.64379%0.789SS**  cis-122.9152.59.439.5-25.8000116.5F71P69-F71 HydrophobicContact CB-CD2 4.38Å; P69-F71 PolarHBondContact O-N 3.5Å
70N28.9Very low32Very low153 Ų153146 Ų14682%0.81879%0.786SS**  trans-63.6123.2154.6-75.5-12000109.4
71F29.2Very low31.8Very low174 Ų174141.3 Ų141.376%0.76377%0.767SS**  trans-164.3137.6164.8-106-57.7000113.1P69P69-F71 HydrophobicContact CB-CD2 4.38Å; P69-F71 PolarHBondContact O-N 3.5Å
72Y29.3Very low32.1Very low205 Ų205137.4 Ų137.480%0.80475%0.75SS**  trans62.6116173-73.7-102.6000116.5
73S28.9Very low31.9Very low92 Ų92130.9 Ų130.964%0.64373%0.732SS**  cis103128.819.7800000115.3
74G32.8Very low31.9Very low69 Ų69129 Ų12971%0.71172%0.723SS**  trans-176.681.6166.600000109.3
75F30.9Very low31.8Very low192 Ų192131 Ų13184%0.84273%0.725SS**  82.4141.696.5-96.3-104.8000113.3
76P34Very low31.9Very low93 Ų93127.3 Ų127.360%0.60473%0.725SS**  -139.2175.8-90.239.5-22.6000116
77Q32Very low31.8Very low177 Ų177122.4 Ų122.483%0.82772%0.717SS**  trans34.6130.6142.6-69.3176.3-17.800121
78Q33.9Very low31.9Very low180 Ų180124.4 Ų124.484%0.84172%0.719SS**  -157.2131111.5-116.6154.180.700114.1
79T32Very low32Very low118 Ų118123.8 Ų123.872%0.72472%0.717SS**  trans35.7126.2143.156.90000120.1
80A32.1Very low31.8Very low89 Ų89124 Ų12474%0.73673%0.727SS**  57.7134.257.700000112.8
81S31.8Very low32Very low76 Ų76120.2 Ų120.253%0.53172%0.724SS.*  cis-154.2169.42.5-95.80000110.4N227S81-N227 VanDerWaalsContact CB-ND2 3.32Å; S81-N227 WeakPolarHBondContact CB-ND2 3.5Å; S81-N227 PolarHBondContact OG-ND2 3.44Å
82P39.8Very low32Very low85 Ų85116.5 Ų116.555%0.55273%0.726SS**  trans-74.5162.6-176.7-14.126.9000116.4Q226P82-Q226 VanDerWaalsContact CD-OE1 3.28Å; P82-Q226 PolarHBondContact O-OE1 2.87Å
83L27.8Very low32.1Very low93 Ų93111.8 Ų111.849%0.48772%0.721SS.*  -171171.1112.4-109.1-178.4000117.7H225 Q226L83-H225 HydrophobicContact CD1-CB 3.74Å; L83-H225 HydrophobicContact CD2-CB 4.46Å; L83-H225 WeakPolarHBondContact CD2-CD2 3.32Å; L83-H225 WeakPolarHBondContact CD2-NE2 3.46Å; L83-Q226 HydrophobicContact CD1-CB 3.72Å; L83-Q226 HydrophobicContact CD1-CG 4.17Å; L83-Q226 HydrophobicContact CG-CB 4.24Å; L83-Q226 HydrophobicContact CG-CG 4.3Å
84A31.5Very low32.2Very low69 Ų69115.3 Ų115.357%0.5773%0.728SS**  trans-66.7174.5171.600000112.4
85V32.8Very low32.2Very low137 Ų137117.3 Ų117.383%0.8373%0.731SS**  cis-146.5158.944.91710000112.7
86A31.4Very low32.4Very low98 Ų98112.3 Ų112.381%0.8172%0.72SS**  trans-44.7162179.300000118.2
87G32Very low32.5Very low73 Ų73117.3 Ų117.375%0.75373%0.732SS**  trans-175.649.6174.400000121.3
88K33.3Very low32.7Very low191 Ų191116.6 Ų116.683%0.8373%0.729SS**  trans63.8171.9148.3-97.7-174.4178.1-173.40121.1
89D33.6Very low33Very low137 Ų137113.6 Ų113.673%0.73372%0.724SS**  trans54.3115.6164.7-47.7-27.5000117.6
90A30.8Very low33.4Very low103 Ų103113 Ų11385%0.85172%0.721SS**  cis74.7108.146.500000114.3
91G31.6Very low34.3Very low74 Ų74114 Ų11476%0.76372%0.72SS**  trans143.398.9163.600000117.6
92A30.3Very low35Very low96 Ų96115.9 Ų115.979%0.79373%0.73SS**  trans59.5155.1133.300000123.5
93C30Very low34.8Very low106 Ų106119.1 Ų119.172%0.71674%0.742SS**  trans71.5152.7155.8-64.50000118.9
94Q31.3Very low35.2Very low166 Ų166122.3 Ų122.378%0.77675%0.754SS**  cis-168.4150.4-23.7-115.5-177.165.400109.2
95S33.8Very low35.4Very low111 Ų111122.4 Ų122.478%0.77676%0.761SS**  trans64.4166.4163.487.60000116.3
96S35.1Very low35.6Very low87 Ų87123 Ų12361%0.60876%0.757SS**  cis-161.3156.1-22.139.70000106.1
97F35.3Very low35.8Very low198 Ų198124.3 Ų124.387%0.86875%0.748SS**  cis-151.2167.143.8-96.6-95.6000113
98H36Very low35.9Very low162 Ų162130 Ų13075%0.7575%0.747SS**  trans-78.1174.2171.8-83.8-86.9000112.7
99P40Very low36Very low116 Ų116126.6 Ų126.675%0.75374%0.742SS**  cis-135.4176.719.243.5-26.8000116
100T40.8Very low36Very low105 Ų105124.1 Ų124.164%0.64474%0.741SS**  cis-163.9146.5-24.729.60000108.7
101P51.2Low35.9Very low110 Ų110126 Ų12671%0.71474%0.736SS**  trans-78.4145.8168.733.8-34.8000112.4
102P46.1Very low36Very low116 Ų116128 Ų12875%0.75373%0.734SS**  -108.4-174.4110.1-16.234000112.7
103L37.1Very low36.2Very low153 Ų153129.5 Ų129.580%0.80173%0.733SS**  cis-131.6-117.80-166.2103.1000111.4
104H36Very low36.1Very low161 Ų161132.1 Ų132.175%0.74574%0.735SS**  trans-145.7153.1-173.4-70.256.6000110.3
105G35.1Very low36.2Very low70 Ų70128.1 Ų128.172%0.72274%0.738SS**  cis161.8179.7-1200000115.7
106M36.2Very low36.1Very low151 Ų151130.2 Ų130.274%0.74474%0.741SS**  trans75.9113.8148-72.8-164.8159.500122.9
107M36.1Very low36.4Very low124 Ų124131.5 Ų131.561%0.61175%0.747SS**  trans75.7147.3134.3-61.3-164.5-174.500119.4
108R35.3Very low36.3Very low192 Ų192125.8 Ų125.873%0.72574%0.744SS**  cis-156.8126-14.6-112.8174.9-179.4165.6-1.2107.1
109T33.7Very low36.1Very low120 Ų120122.6 Ų122.674%0.73675%0.745SS**  5715099.569.90000117.1
110A34.9Very low35.7Very low85 Ų85125.9 Ų125.970%0.70275%0.753SS**  trans82137.9160.200000117.2
111D29.3Very low35.2Very low142 Ų142126.2 Ų126.276%0.75976%0.76SS**  cis-173.5-179.7-23.3-122.9-52.2000110
112V32.3Very low34.2Very low117 Ų117123.1 Ų123.171%0.70975%0.747SS**  trans52.9125.3140164.50000118.8
113T34.8Very low33.3Very low128 Ų128124.1 Ų124.179%0.78575%0.746SS**  cis-162167.310.78.80000112.5
114Q29Very low33Very low160 Ų160120.2 Ų120.275%0.74873%0.728SS**  trans-68.3156.5164-61.3156-43.300112.1F1326Q114-F1326 PolarHBondContact NE2-O 3.29Å
115G32.3Very low32.7Very low82 Ų82117.4 Ų117.485%0.84572%0.715SS**  trans-170.753.3-177.100000117.1
116N32.7Very low32.3Very low155 Ų155123.9 Ų123.983%0.82972%0.718SS**  trans-90.2172.9170-157.427.3000109.8
117P40.4Very low32Very low115 Ų115121.6 Ų121.675%0.74772%0.717SS**  cis-122.2-174.4-23.221.23.1000113.1
118G32.4Very low31.8Very low77 Ų77119.8 Ų119.879%0.79472%0.721SS**  trans-168.296.4171.800000119.7
119A32.2Very low31.7Very low95 Ų95116.2 Ų116.279%0.78572%0.721SS**  trans56.7113.2143.800000124.3
120M31Very low31.6Very low186 Ų186116.6 Ų116.692%0.91672%0.719SS**  81.5149.2124.7-69.5-171.8143.300124.7
121S30.7Very low31.4Very low112 Ų112121.7 Ų121.778%0.78373%0.725SS**  trans-26163.9159.7-42.70000118.6
122G29.9Very low32Very low44 Ų44119.9 Ų119.945%0.45472%0.722SS.*  cis137.7152.35.700000112.6
123L28.7Very low32.3Very low138 Ų138121.4 Ų121.472%0.72373%0.731SS**  trans87.5-154.4176.6-82.871.5000118.7F613L123-F613 CarbonylContact C-O 3.27Å; L123-F613 VanDerWaalsContact C-O 3.27Å; L123-F613 WeakPolarHBondContact CB-O 3.43Å
124V30.1Very low32.4Very low71 Ų71117.9 Ų117.943%0.4372%0.72SS.*BIsolated β-bridge-157.2134.7-123.2155.10000114.6F613 T614V124-F613 VanDerWaalsContact N-C 3.3Å; V124-F613 PolarHBondContact N-O 3.05Å; V124-F613 CarbonylContact O-C 3.1Å; V124-F613 PolarHBondContact O-N 3.43Å; V124-T614 PolarHBondContact O-N 3.39Å
125Q29.8Very low32.9Very low101 Ų101117.8 Ų117.847%0.47273%0.73SS.*  trans88.7122.9159.6-73.4159.813.600126.1T614Q125-T614 WeakPolarHBondContact CA-OG1 3.48Å; Q125-T614 PolarHBondContact N-OG1 2.82Å; Q125-T614 PolarHBondContact O-OG1 2.92Å
126R27.3Very low33.1Very low206 Ų206117.2 Ų117.278%0.77773%0.725SS**  trans78.6156.8140.8-71.2173176.5-161.2-2118.8
127S29.6Very low33.5Very low104 Ų104117.1 Ų117.173%0.72772%0.724SS**  cis-173176.7-14.3500000112.1
128A30.9Very low33.3Very low85 Ų85119 Ų11970%0.70273%0.728SS**  trans80.9148.8160.100000116.8
129T33.2Very low33.6Very low117 Ų117119.2 Ų119.272%0.71873%0.729SS**  cis-161.1159.80.4-1.20000114
130N32.8Very low33.9Very low129 Ų129118.8 Ų118.869%0.6973%0.734SS**  trans75.9109.1149.9-62-17.9000124
131F30.8Very low34.2Very low191 Ų191113.7 Ų113.784%0.83873%0.729SS**  43.4161110.6-74.9-71.7000122.9
132P41Very low34.4Very low105 Ų105114.4 Ų114.468%0.68273%0.728SS**  cis-140.8166.7-1.528.2-3.9000119.7
133V38.2Very low34.6Very low148 Ų148120.2 Ų120.290%0.89774%0.744SS**  trans58.8143.2142.2170.90000121.5
134G37.8Very low34.9Very low55 Ų55119.3 Ų119.357%0.56774%0.744SS**  cis159.2166.3-900000115.4
135T38.7Very low35.3Very low157 Ų157121 Ų12196%0.96376%0.757SS**  trans65152174.865.20000117.7
136G37.8Very low35.4Very low71 Ų71124.1 Ų124.173%0.73278%0.776SS**  cis174.8178.3-1.900000108.7
137L39.5Very low35.9Very low153 Ų153119.3 Ų119.380%0.80177%0.771SS**  cis-168.3160.6-11.1-104.2170.8000110.1
138D37.9Very low36.2Very low155 Ų155120.8 Ų120.883%0.82978%0.781SS**  trans52153.7162.7-54-36.7000122.2
139G38.7Very low36.4Very low80 Ų80120.5 Ų120.583%0.82579%0.787SS**  cis161.6138.6-13.700000115.7
140G38.2Very low36.4Very low86 Ų86122.5 Ų122.589%0.88779%0.79SS**  trans112.8110.1147.800000123.4
141G37.2Very low36.4Very low79 Ų79126.2 Ų126.281%0.81480%0.796SS**  trans80.4166.9148.100000120.2
142V35.1Very low36.3Very low127 Ų127126.3 Ų126.377%0.7780%0.797SS**  cis-165.7147.9-16.91070000111.9
143Q33.9Very low36.2Very low166 Ų166126.4 Ų126.478%0.77680%0.797SS**  trans61.2117.2160.4-70.6172.949.600124.1
144T34.1Very low35.7Very low120 Ų120125.7 Ų125.774%0.73679%0.793SS**  18.8161.6114.943.60000123
145P38.5Very low35.4Very low107 Ų107127.6 Ų127.670%0.69580%0.803SS**  cis-148.7-167.1-18.240.8-19.4000117.4
146L31.3Very low35Very low165 Ų165124.5 Ų124.586%0.86479%0.794SS**  trans83.1152.3151.1-73.4173.4000122.1
147P38.2Very low35Very low106 Ų106126.2 Ų126.269%0.68879%0.792SS**  trans-121.7177.5-169.744.8-32.9000115.8
148S35.7Very low34.6Very low134 Ų134123.6 Ų123.694%0.93779%0.787SS**  trans-166.1149.4157-82.70000112.1
149G35.8Very low34.1Very low80 Ų80123.3 Ų123.383%0.82579%0.785SS**  trans139.3105.8171.100000114.3
150M32.5Very low33.7Very low158 Ų158125.9 Ų125.978%0.77879%0.785SS**  trans-112165.5-179.1-78.9-83.5-70.900112.4
151Y33.6Very low33.1Very low208 Ų208126 Ų12682%0.81677%0.773SS**  trans80.5102.2162.2-75.2-72.9000120.9
152F28.8Very low32.8Very low193 Ų193133.3 Ų133.385%0.84678%0.775SS**  trans-48174.4136.4-78.8-83.6000114
153P38.3Very low32.4Very low107 Ų107136.3 Ų136.370%0.69578%0.778SS**  cis-132.4-174.4-1829.3-8.8000113.1
154T28.8Very low32.3Very low133 Ų133133.8 Ų133.882%0.81678%0.778SS**  trans140149.4130.9-57.20000113.5
155A32Very low32Very low94 Ų94133 Ų13378%0.77778%0.777SS**  trans91124.6167.100000118.5
156A28.7Very low31.8Very low92 Ų92135.4 Ų135.476%0.7678%0.784SS**  trans-84.3-171.6160.800000108.9
157P37.5Very low31.8Very low108 Ų108134.7 Ų134.770%0.70178%0.781SS**  cis-143.1-168.18.143.5-23.7000116.1
158S31.4Very low31.9Very low98 Ų98135.1 Ų135.169%0.68578%0.784SS**  trans76.2136.6147.670.50000121
159N27.5Very low31.7Very low148 Ų148134.7 Ų134.779%0.79178%0.775SS**  trans11.4130.3145.1-52.3-17.7000117.2
160T29.7Very low31.5Very low134 Ų134134.2 Ų134.282%0.82277%0.77SS**  -170.6163.979.8-67.30000111.2
161S27.4Very low31.4Very low90 Ų90134 Ų13463%0.62977%0.769SS**  trans-71.2144.7-176.6560000116.6
162R30.6Very low31.1Very low232 Ų232129 Ų12988%0.87576%0.764SS**  169.8127.1123.6-85.6152.4-164.2-156.64.1108.5
163F25.9Very low31.2Very low190 Ų190125.7 Ų125.783%0.83376%0.76SS**  68.614065.7-104.2-77.8000115.6
164C31.5Very low30.9Very low113 Ų113125.5 Ų125.576%0.76477%0.767SS**  trans71.8103.9-175.3-56.30000113.5
165S28.4Very low31Very low102 Ų102123 Ų12371%0.71377%0.767SS**  77121.453.5-550000113.9
166N34Very low31Very low158 Ų158123.4 Ų123.485%0.84577%0.771SS**  173.4102.5128.9-84.7-13.2000111.6
167D31.7Very low31.4Very low150 Ų150123.2 Ų123.280%0.80277%0.769SS**  trans-76.9157.3155.2-84.1-26.9000109.8
168P39.3Very low31.2Very low116 Ų116123.9 Ų123.975%0.75377%0.773SS**  trans-142.2121130.233.5-18.1000115.9
169V32Very low31.3Very low124 Ų124124.1 Ų124.175%0.75278%0.775SS**  37.9124.3127-172.30000120.3M171V169-M171 HydrophobicContact CG1-CG 4.26Å
170G32.3Very low31.5Very low70 Ų70127.2 Ų127.272%0.72278%0.782SS**  trans16271.1160.900000114
171M29.3Very low31.6Very low154 Ų154123.8 Ų123.876%0.75977%0.773SS**  80112.884.4-72.7-101.877.500116.1V169V169-M171 HydrophobicContact CG1-CG 4.26Å
172C29Very low31.8Very low103 Ų103126.7 Ų126.770%0.69678%0.78SS**  trans66.7152.5150.1-610000119.1
173T30.4Very low31.8Very low124 Ų124122.7 Ų122.776%0.76178%0.776SS**  cis-158.9126.9-1615.80000106.7
174A31.4Very low32Very low103 Ų103117.8 Ų117.885%0.85177%0.765SS**  71120.888.200000116.6
175G30.2Very low32Very low80 Ų80118.3 Ų118.383%0.82577%0.765SS**  trans150.4143.9164.400000111.6
176A32Very low32.1Very low103 Ų103119.2 Ų119.285%0.85177%0.766SS**  cis-177.4156.1-18.100000104.8
177A37.6Very low32.1Very low88 Ų88118.9 Ų118.973%0.72776%0.764SS**  trans-84.2-177.2-17300000113.9
178P34.5Very low32.1Very low121 Ų121117.9 Ų117.979%0.78676%0.758SS**  -127169.2120.637.5-33.2000113.6
179S32.3Very low31.6Very low103 Ų103117.2 Ų117.272%0.7276%0.756SS**  trans-142.7134.4177.4-53.10000111.4
180F32.2Very low31.6Very low214 Ų214120.6 Ų120.694%0.93976%0.764SS**  trans-152.8152.9165.6-70.9-78.9000107.9
181G31.7Very low31.4Very low62 Ų62121.3 Ų121.364%0.63976%0.763SS**  cis170119.9-9.700000113.9
182I30.6Very low31.5Very low150 Ų150118.9 Ų118.977%0.76977%0.767SS**  trans49.9121.1147.5-26.4179000120.1
183N32Very low31.4Very low148 Ų148119 Ų11979%0.79177%0.766SS**  174.8131.3121.5-84.1-35.7000109.6
184S29.9Very low31.3Very low87 Ų87122 Ų12261%0.60877%0.773SS**  76.7130.650.5-58.50000111.9
185T31.5Very low31.2Very low124 Ų124124.5 Ų124.576%0.76178%0.777SS**  cis-171.4166.68.37.70000112.5
186V30.6Very low31.1Very low122 Ų122125.2 Ų125.274%0.73978%0.775SS**  trans82150.7140.2156.60000121
187L34.5Very low30.9Very low151 Ų151129.1 Ų129.179%0.79178%0.776SS**  trans73.3135.6176.3-66.7147.6000118.6
188D30.3Very low30.6Very low128 Ų128130.2 Ų130.268%0.68479%0.785SS**  cis-157.5158.9-37.8-137.8-30000113.8Q190D188-Q190 PolarHBondContact O-N 3.06Å
189S30Very low30.2Very low102 Ų102128.6 Ų128.671%0.71378%0.782SS**  trans-6.697.6152.4-53.90000119
190Q31.2Very low30Very low195 Ų195130.3 Ų130.391%0.91179%0.788SS**  trans-143.566.5132.4-133.4174.557.900112.4D188D188-Q190 PolarHBondContact O-N 3.06Å
191A28.7Very low29.8Very low86 Ų86128.6 Ų128.671%0.71179%0.787SS**  trans-84.7161.1166.700000111.6
192A30.5Very low30Very low102 Ų102130.4 Ų130.484%0.84380%0.797SS**  trans71.246.9153.200000120.2
193T27.3Very low30Very low107 Ų107130.8 Ų130.866%0.65680%0.8SS**  trans-142.561.7164.80.20000115
194M28Very low30Very low187 Ų187132 Ų13292%0.92180%0.801SS**SBendtrans-156.319.2166.6-130.5179.3-68.900118.1
195V30.6Very low29.8Very low154 Ų154133.1 Ų133.193%0.93381%0.807SS**SBendtrans-123.3-7.3179.1-179.50000113.6
196A27.8Very low29.7Very low95 Ų95131.7 Ų131.779%0.78580%0.802SS**SBendtrans-14963.2-175.500000113.9
197Q26.3Very low29.6Very low186 Ų186131.2 Ų131.287%0.86980%0.799SS**  trans-157.359.2170.4-121.8171.630.600113.3
198A32Very low29.5Very low110 Ų110130.4 Ų130.491%0.90980%0.796SS**SBendtrans-144.221.7177.300000114
199A27.3Very low29.4Very low88 Ų88131.7 Ų131.773%0.72780%0.796SS**SBendtrans-130.7138.217500000109.8
200V26.5Very low29.5Very low138 Ų138136.9 Ų136.984%0.83680%0.801SS**SBendtrans62.982.7177.6-165.90000115.1
201L28.6Very low29.5Very low178 Ų178130.6 Ų130.693%0.93279%0.789SS**  trans176.484.8131.2-97165.7000112.2
202A35.1Very low29.8Very low101 Ų101131.1 Ų131.184%0.83579%0.793SS**  trans-152.825.6166.400000113.5H204A202-H204 PolarHBondContact O-N 3.01Å
203N31.3Very low30Very low157 Ų157129.9 Ų129.984%0.8479%0.791SS**  trans-74.9103164.8-101.1-22.7000108.2
204H31.5Very low30.5Very low175 Ų175129.8 Ų129.881%0.8180%0.795SS**  trans-165.7123.1155.1-103.6-65.9000113.1A202A202-H204 PolarHBondContact O-N 3.01Å
205C26.6Very low31Very low110 Ų110129.5 Ų129.574%0.74379%0.791SS**  trans65.8143.7154.5-560000119
206S28.2Very low31.2Very low93 Ų93125.7 Ų125.765%0.6578%0.782SS**  cis-168.2143.5-14.4-99.90000111
207T28.5Very low31.4Very low112 Ų112126.3 Ų126.369%0.68778%0.781SS**  trans60.6139.4155.456.60000118.5
208N32.5Very low31.7Very low135 Ų135122.6 Ų122.672%0.72277%0.771SS**  cis-139.113725.8-78.5-72.2000110.8
209F28Very low31.6Very low155 Ų155125.6 Ų125.668%0.6876%0.764SS**  57.2124.683.6-84.4-78000114.1
210Y33.3Very low31.8Very low210 Ų210130.1 Ų130.182%0.82477%0.767SS**  cis-137.2167.911.5-82.3-103.3000110.4
211G31.5Very low32.1Very low64 Ų64127.4 Ų127.466%0.6677%0.768SS**  cis155.1137.8-6.500000113.9
212A35.6Very low32.3Very low96 Ų96122.3 Ų122.379%0.79376%0.758SS**  trans65.3141.1176.800000118
213G33.6Very low32.1Very low77 Ų77125.8 Ų125.879%0.79476%0.761SS**  cis125.8123.7-10.900000114.9
214S37.1Very low32.4Very low105 Ų105123 Ų12373%0.73475%0.752SS**  trans-158.8130.7163.4-179.70000112.8
215H39.7Very low32.5Very low181 Ų181120.3 Ų120.384%0.83874%0.739SS**  trans-13.9151.8156.7-39-75.1000118.8
216G34Very low32.7Very low73 Ų73119.2 Ų119.275%0.75372%0.724SS**  cis169.3-172.23.500000114
217S31.5Very low32.8Very low109 Ų109119.2 Ų119.276%0.76272%0.716SS**  trans-53.9172.2-17860.90000115.4
218T33.4Very low33Very low108 Ų108121.7 Ų121.766%0.66373%0.725SS**  cis-170.6148.136.5-22.90000113
219F31Very low33Very low172 Ų172118.5 Ų118.575%0.75472%0.718SS**  trans61.1134.3140.9-90.1-137.9000124
220F31.2Very low33.4Very low183 Ų183119.2 Ų119.280%0.80373%0.725SS**  trans55.5103.9138-82.5-112.3000121.2
221G32Very low33.3Very low82 Ų82117.1 Ų117.185%0.84572%0.722SS**  92.4146.8109.800000119.1
222G32.1Very low33.5Very low70 Ų70118.7 Ų118.772%0.72272%0.721SS**  trans110.484.1156.400000117.9
223L32.7Very low33.1Very low174 Ų174119 Ų11991%0.91172%0.718SS**  trans66.2158.2138.2-67.5162.7000119.9
224P35.8Very low32.8Very low99 Ų99122.9 Ų122.964%0.64372%0.717SS**  trans-98.4-169.2-174.940.9-37.9000113.2
225H33.4Very low32.4Very low118 Ų118121.6 Ų121.655%0.54671%0.713SS.*  trans103.978.8156.9-71.24.2000119.8L83L83-H225 HydrophobicContact CD1-CB 3.74Å; L83-H225 HydrophobicContact CD2-CB 4.46Å; L83-H225 WeakPolarHBondContact CD2-CD2 3.32Å; L83-H225 WeakPolarHBondContact CD2-NE2 3.46Å
226Q32Very low31.8Very low88 Ų88120.6 Ų120.641%0.41171%0.713SS.*  52.7144.7124.5-55.7-168.240.100123.6P82 L83 N228P82-Q226 VanDerWaalsContact CD-OE1 3.28Å; P82-Q226 PolarHBondContact O-OE1 2.87Å; L83-Q226 HydrophobicContact CD1-CB 3.72Å; L83-Q226 HydrophobicContact CD1-CG 4.17Å; L83-Q226 HydrophobicContact CG-CB 4.24Å; L83-Q226 HydrophobicContact CG-CG 4.3Å; Q226-N228 PolarHBondContact O-N 2.92Å
227N30.5Very low31.4Very low93 Ų93121.2 Ų121.250%0.49771%0.711SS.*  trans46.370.3133.7-60.7-45.7000118.8S81S81-N227 VanDerWaalsContact CB-ND2 3.32Å; S81-N227 WeakPolarHBondContact CB-ND2 3.5Å; S81-N227 PolarHBondContact OG-ND2 3.44Å
228N32Very low31.4Very low163 Ų163121.2 Ų121.287%0.87271%0.711SS**  -133.6155.8124.7-85.7-66.2000107.6Q226Q226-N228 PolarHBondContact O-N 2.92Å
229A32Very low31.3Very low69 Ų69125.1 Ų125.157%0.5772%0.719SS**  cis178.8159.5-25.100000104.7
230M37.7Very low31.2Very low169 Ų169121.7 Ų121.783%0.83371%0.713SS**  trans64.1150.1171.2-53.5-63.6176.400115.7
231H29.7Very low31Very low166 Ų166123.6 Ų123.677%0.76972%0.715SS**  cis-149.5157.3-36.6-144.9-126.1000106.8
232P36Very low30.8Very low98 Ų98127.3 Ų127.364%0.63671%0.711SS**  trans-86.5-160.9-177.338.4-37.2000111.3
233S27.5Very low30.9Very low103 Ų103128.6 Ų128.672%0.7271%0.709SS**  trans76.3146.9176.8-67.10000115
234M27.5Very low31Very low157 Ų157125.5 Ų125.577%0.77370%0.699SS**  cis-141.6157.9-5.5-119.8-175.7-62.700107.5
235A28.6Very low30.5Very low79 Ų79126.1 Ų126.165%0.65371%0.705SS**  37.313188.900000113.2
236L26.8Very low30.2Very low160 Ų160128.2 Ų128.284%0.83872%0.719SS**  cis-154.5-173.643.5-87156.9000110.5
237A26.3Very low30Very low85 Ų85127.5 Ų127.570%0.70274%0.735SS**  trans19.9131.3151.700000118.9
238S30.4Very low29.8Very low110 Ų110128.7 Ų128.777%0.76975%0.745SS**  -164.2159.364.2-67.90000114
239K31.7Very low29.6Very low190 Ų190126.5 Ų126.583%0.82674%0.743SS**  trans-81.2139.2157.1-65.2165.6-176.1163.20107.5
240P28.7Very low29.2Very low99 Ų99127.8 Ų127.864%0.64375%0.748SS**  -113.2168.688.4-928.2000112
241R27Very low28.8Very low224 Ų224126 Ų12685%0.84575%0.746SS**  cis8018.3-3.6-128.3-175.9-168.8-121.1-1.1121.3
242Q28.6Very low28.6Very low160 Ų160123.4 Ų123.475%0.74874%0.742SS**  trans-145.6147.9151.4-74.6106.4-91.500109.6
243S33.6Very low28.3Very low97 Ų97126.1 Ų126.168%0.67875%0.746SS**  cis60.4149-23.372.90000121.5
244P34.7Very low28.4Very low109 Ų109129.3 Ų129.371%0.70875%0.749SS**  cis-130.3-174.1-5.742.4-26.3000114.4
245C26Very low28.6Very low112 Ų112129.5 Ų129.576%0.75775%0.748SS**  trans73.3161.4153.9-61.20000121.7
246L26.3Very low29Very low161 Ų161131.9 Ų131.984%0.84376%0.756SS**  trans85.2151.2159.3-49.5-172000119.8V248L246-V248 HydrophobicContact CB-CG2 4.48Å; L246-V248 HydrophobicContact CD2-CG2 4.17Å
247G28.1Very low29.4Very low74 Ų74130.5 Ų130.576%0.76375%0.745SS**  trans9565.6-16700000112.8
248V25.8Very low30Very low117 Ų117128.7 Ų128.771%0.70972%0.722SS**  cis64.980.736.8-171.80000113.5L246L246-V248 HydrophobicContact CB-CG2 4.48Å; L246-V248 HydrophobicContact CD2-CG2 4.17Å
249S28.2Very low30.2Very low117 Ų117129.8 Ų129.882%0.81872%0.715SS**  -133.3131129.2-79.40000105.7
250S24.9Very low30.5Very low97 Ų97125.2 Ų125.268%0.67870%0.703SS**  cis72.5145.639.7-159.50000112.7
251V28Very low30.7Very low130 Ų130124.4 Ų124.479%0.78869%0.69SS**  trans64.193.7-163.4-1680000110
252V26.3Very low31.4Very low113 Ų113122 Ų12269%0.68569%0.688SS**  cis54.69442.1-164.30000111.7
253H28.9Very low32.1Very low155 Ų155121.7 Ų121.772%0.71869%0.687SS**  179.1123.1126.2-97.371.5000111.9
254H30.3Very low32.6Very low170 Ų170123.7 Ų123.779%0.78769%0.686SS**  trans68144.4141.1-68.958.8000123.4
255H31.1Very low32.8Very low161 Ų161122.3 Ų122.375%0.74568%0.684SS**  trans-61.2167.5159.1-89.621.5000112.2
256P36.6Very low33.9Very low128 Ų128120.8 Ų120.883%0.83167%0.671SS**  cis-147.3-16844.442.8-20.7000119.4
257H36.5Very low35.1Very low132 Ų132119.4 Ų119.461%0.61166%0.66SS**  trans-81167.4-165.2-90.5-84.6000118.7S1403H257-S1403 PolarHBondContact ND1-O 2.85Å
258H38.5Very low36.1Very low46 Ų46122.3 Ų122.321%0.21365%0.654CS.*  trans55.9173.9158.2-110.2-24.4000117.3D1401 F1402 S1403H258-D1401 PolarHBondContact CD2-O 3.48Å; H258-D1401 WeakPolarHBondContact NE2-CB 3.48Å; H258-D1401 VanDerWaalsContact NE2-CG 3.33Å; H258-D1401 IonicContact NE2-OD1 3.79Å; H258-D1401 IonicContact NE2-OD2 2.73Å; H258-D1401 PolarHBondContact NE2-OD2 2.99Å; H258-F1402 VanDerWaalsContact CB-O 3.3Å; H258-F1402 WeakPolarHBondContact CB-O 3.42Å; H258-F1402 WeakPolarHBondContact CD2-CA 3.39Å; H258-F1402 PolarHBondContact CD2-N 3.1Å; H258-F1402 PolarHBondContact CD2-O 3.24Å; H258-F1402 VanDerWaalsContact CE1-CA 3.41Å; H258-F1402 WeakPolarHBondContact CE1-CA 3.35Å; H258-F1402 AromaticContact CE1-CD1 3.96Å; H258-F1402 PolarHBondContact CE1-O 2.89Å; H258-F1402 VanDerWaalsContact CG-CA 3.49Å; H258-F1402 PolarHBondContact ND1-O 3.11Å; H258-F1402 WeakPolarHBondContact NE2-CA 3.43Å; H258-F1402 WeakPolarHBondContact NE2-CB 3.46Å; H258-F1402 PolarHBondContact NE2-N 2.84Å; H258-F1402 PolarHBondContact NE2-O 3.47Å; H258-S1403 WeakPolarHBondContact CA-O 3.33Å; H258-S1403 PolarHBondContact CE1-N 3.33Å; H258-S1403 PolarHBondContact N-O 2.71Å; H258-S1403 VanDerWaalsContact ND1-C 3.29Å; H258-S1403 WeakPolarHBondContact ND1-CA 3.18Å; H258-S1403 WeakPolarHBondContact ND1-CB 3.3Å; H258-S1403 PolarHBondContact ND1-N 3.31Å; H258-S1403 PolarHBondContact ND1-OG 3.38Å; H258-S1403 PolarHBondContact NE2-N 3.36Å
259H34.8Very low37.3Very low134 Ų134122.6 Ų122.662%0.6265%0.648SS**  cis-120.1179.22.1-117.2-61.5000108.1F1402H259-F1402 PolarHBondContact CE1-O 3.25Å; H259-F1402 PolarHBondContact ND1-O 3.24Å
260V37.8Very low38.6Very low94 Ų94123.3 Ų123.357%0.5764%0.638SS**  cis-139.4150.118176.30000109.7Q262V260-Q262 HydrophobicContact CG1-CB 4.23Å
261Q33.8Very low39.9Very low82 Ų82125.3 Ų125.338%0.38364%0.636SS.*  trans-117.2102.5177.1167.5160.3-60.100111.3D1401Q261-D1401 PolarHBondContact NE2-OD1 2.89Å; Q261-D1401 PolarHBondContact NE2-OD2 3.05Å
262Q41Very low41Very low172 Ų172125 Ų12580%0.80463%0.626SS**  trans-149.522.4-174.7-142.5-179.42700117.1V260V260-Q262 HydrophobicContact CG1-CB 4.23Å
263Q42Very low42.2Very low155 Ų155125 Ų12572%0.72462%0.619SS**SBendtrans-134.3-3.5175.1-71.2-168.5-5.800116T266Q263-T266 PolarHBondContact O-OG1 3.1Å
264Q44.3Very low43.3Very low139 Ų139124.2 Ų124.265%0.6562%0.616SS**Hα-helixtrans-84.8-26-177.9-72.2179.8-18.300113.5T266 Q267 Q268Q264-T266 PolarHBondContact O-N 3.22Å; Q264-Q267 PolarHBondContact O-N 3.01Å; Q264-Q268 PolarHBondContact O-N 3.02Å
265A39.9Very low44.3Very low80 Ų80123.4 Ų123.466%0.66161%0.612SS**Hα-helixtrans-61.2-44173.900000112.4Q267 Q268 Q269A265-Q267 PolarHBondContact O-N 3.02Å; A265-Q268 PolarHBondContact O-N 2.92Å; A265-Q269 PolarHBondContact O-N 3.24Å; A265-Q269 VanDerWaalsContact O-N 3.1Å
266T49.2Very low45Very low79 Ų79122.1 Ų122.149%0.48561%0.606SS.*Hα-helixtrans-70.2-28.3-177.417.80000113.8Q263 Q264 Q270Q263-T266 PolarHBondContact O-OG1 3.1Å; Q264-T266 PolarHBondContact O-N 3.22Å; T266-Q270 WeakPolarHBondContact O-CG 3.33Å; T266-Q270 PolarHBondContact O-N 3.49Å
267Q51.6Low45.4Very low133 Ų133123 Ų12362%0.62160%0.599SS**Hα-helixtrans-76-37.7176.1-71.3-169.5-3.300112.6Q264 A265 Q270 Q271Q264-Q267 PolarHBondContact O-N 3.01Å; A265-Q267 PolarHBondContact O-N 3.02Å; Q267-Q270 PolarHBondContact O-N 3.22Å; Q267-Q271 PolarHBondContact O-N 2.93Å
268Q49.6Very low45.7Very low135 Ų135124.2 Ų124.263%0.63161%0.61SS**Hα-helixtrans-67.9-36.7173.1-70.2-172.8-7.200111.7Q264 A265 Q271 Q272Q264-Q268 PolarHBondContact O-N 3.02Å; A265-Q268 PolarHBondContact O-N 2.92Å; Q268-Q271 PolarHBondContact O-N 2.74Å; Q268-Q272 PolarHBondContact O-N 3.38Å
269Q50.8Low45.5Very low123 Ų123126.3 Ų126.358%0.57564%0.635SS**Hα-helixtrans-64.6-39.2173.8-133173.522.400112.4A265 Q272 Q273A265-Q269 PolarHBondContact O-N 3.24Å; A265-Q269 VanDerWaalsContact O-N 3.1Å; Q269-Q272 PolarHBondContact O-N 3.37Å; Q269-Q273 WeakPolarHBondContact O-CG 3.43Å; Q269-Q273 PolarHBondContact O-N 3.3Å
270Q53.8Low45.5Very low132 Ų132123.9 Ų123.962%0.61763%0.633SS**Hα-helixtrans-68.5-37.8174-78-174.9-900113.1T266 Q267 Q273 Q274T266-Q270 WeakPolarHBondContact O-CG 3.33Å; T266-Q270 PolarHBondContact O-N 3.49Å; Q267-Q270 PolarHBondContact O-N 3.22Å; Q270-Q273 PolarHBondContact O-N 3.18Å; Q270-Q274 WeakPolarHBondContact O-CB 3.43Å; Q270-Q274 PolarHBondContact O-N 2.89Å
271Q52.9Low45.4Very low138 Ų138128.7 Ų128.765%0.64565%0.65SS**Hα-helixtrans-66.3-39174.4-77.4-172-18.900112.3Q267 Q268 Q274 Q275Q267-Q271 PolarHBondContact O-N 2.93Å; Q268-Q271 PolarHBondContact O-N 2.74Å; Q271-Q274 PolarHBondContact O-N 2.99Å; Q271-Q275 WeakPolarHBondContact O-CB 3.23Å; Q271-Q275 PolarHBondContact O-N 3.29Å
272Q51.4Low45Very low124 Ų124130 Ų13058%0.57967%0.668SS**Hα-helixtrans-68.3-39.3174.9-72-175.2-1.600112.6Q268 Q269 Q274 Q275 Q276Q268-Q272 PolarHBondContact O-N 3.38Å; Q269-Q272 PolarHBondContact O-N 3.37Å; Q272-Q274 VanDerWaalsContact C-N 3.34Å; Q272-Q274 PolarHBondContact O-N 2.77Å; Q272-Q275 PolarHBondContact O-N 3.03Å; Q272-Q276 WeakPolarHBondContact O-CG 3.39Å; Q272-Q276 PolarHBondContact O-N 2.96Å
273Q52Low44.3Very low112 Ų112129.4 Ų129.452%0.52367%0.667SS.*Hα-helixtrans-63.1-38.8172.6-76.3-176.7-600112.5Q269 Q270 Q275 Q276 Q277Q269-Q273 WeakPolarHBondContact O-CG 3.43Å; Q269-Q273 PolarHBondContact O-N 3.3Å; Q270-Q273 PolarHBondContact O-N 3.18Å; Q273-Q275 VanDerWaalsContact C-N 3.31Å; Q273-Q275 PolarHBondContact O-N 3.43Å; Q273-Q276 PolarHBondContact O-N 3.43Å; Q273-Q277 WeakPolarHBondContact O-CG 3.37Å; Q273-Q277 PolarHBondContact O-N 3.48Å
274Q52Low43.6Very low140 Ų140130.3 Ų130.365%0.65467%0.673SS**Hα-helixtrans-69.1-28.8176.8-170.4162.377.400112.6Q270 Q271 Q272Q270-Q274 WeakPolarHBondContact O-CB 3.43Å; Q270-Q274 PolarHBondContact O-N 2.89Å; Q271-Q274 PolarHBondContact O-N 2.99Å; Q272-Q274 VanDerWaalsContact C-N 3.34Å; Q272-Q274 PolarHBondContact O-N 2.77Å
275Q50Low42.8Very low152 Ų152128.3 Ų128.371%0.7167%0.67SS**Hα-helixtrans-82-27.3177.2-155.7157.276.300112.9Q271 Q272 Q273Q271-Q275 WeakPolarHBondContact O-CB 3.23Å; Q271-Q275 PolarHBondContact O-N 3.29Å; Q272-Q275 PolarHBondContact O-N 3.03Å; Q273-Q275 VanDerWaalsContact C-N 3.31Å; Q273-Q275 PolarHBondContact O-N 3.43Å
276Q46.6Very low42.2Very low134 Ų134132.1 Ų132.163%0.62667%0.674SS**Hα-helixtrans-75.3-26.1173.5-72.8178.21.200113.6Q272 Q273 L278 A279 S280Q272-Q276 WeakPolarHBondContact O-CG 3.39Å; Q272-Q276 PolarHBondContact O-N 2.96Å; Q273-Q276 PolarHBondContact O-N 3.43Å; Q276-L278 VanDerWaalsContact C-N 3.28Å; Q276-L278 PolarHBondContact O-N 3.17Å; Q276-A279 PolarHBondContact O-N 3.41Å; Q276-S280 PolarHBondContact O-OG 3.07Å
277Q44.7Very low41.1Very low146 Ų146134.7 Ų134.768%0.68269%0.69SS**THydrogen-bonded Turntrans-73.8-13.6177-72.9176.812.900114.4Q273Q273-Q277 WeakPolarHBondContact O-CG 3.37Å; Q273-Q277 PolarHBondContact O-N 3.48Å
278L43Very low39.9Very low158 Ų158132.2 Ų132.283%0.82770%0.7SS**THydrogen-bonded Turntrans-99.9-6177.5-78.6162.7000113.9Q276Q276-L278 VanDerWaalsContact C-N 3.28Å; Q276-L278 PolarHBondContact O-N 3.17Å
279A35Very low39Very low91 Ų91131.7 Ų131.775%0.75271%0.711SS**SBendtrans-111.512.2-178.100000113.6Q276Q276-A279 PolarHBondContact O-N 3.41Å
280S34.6Very low37.9Very low83 Ų83128.8 Ų128.858%0.5872%0.715SS**  trans-13631.5-165.252.70000115Q276Q276-S280 PolarHBondContact O-OG 3.07Å
281Q35.2Very low36.8Very low195 Ų195131.1 Ų131.191%0.91173%0.727SS**  trans-124.698.1161.4-74.8-166.949.100111.1
282S26.7Very low35.7Very low109 Ų109128.3 Ų128.376%0.76273%0.728SS**  trans-145.7134.4171-1760000108.6
283M25.1Very low34.6Very low160 Ų160127.2 Ų127.279%0.78873%0.734SS**  trans57.297.5163.9-63-73.2-77.700118.6
284M27.3Very low33.6Very low174 Ų174129.8 Ų129.886%0.85775%0.748SS**  trans177.1106134.2-94.9162.1-162.900107.6
285T27.8Very low32.5Very low96 Ų96128.3 Ų128.359%0.58975%0.748SS**  71.6151.170.963.30000115.2
286H27.4Very low31.6Very low161 Ų161128.3 Ų128.375%0.74575%0.753SS**  trans78.9140.7175.7-41.9-71.9000117.2
287T26Very low31Very low133 Ų133125.6 Ų125.682%0.81675%0.754SS**  cis-167.2138.1-24.425.30000110.7
288G27.3Very low30.4Very low80 Ų80124.9 Ų124.983%0.82576%0.759SS**  trans74.7170161.200000116.9
289S28.8Very low29.9Very low124 Ų124123.8 Ų123.887%0.86775%0.754SS**  cis-165.9149-12.1-174.10000110
290G29Very low29.9Very low63 Ų63124.4 Ų124.465%0.64975%0.748SS**  trans130.684.6175.900000114.2
291M30.6Very low30Very low180 Ų180126.5 Ų126.589%0.88775%0.753SS**  76.513285.1-67.4-74.2-170.100113.8
292A30.1Very low29.9Very low79 Ų79124 Ų12465%0.65375%0.746SS**  cis-166.1177.7-500000112.5
293S28.6Very low30.4Very low102 Ų102122.4 Ų122.471%0.71375%0.746SS**  trans73.3142.8163.4-62.60000118.8
294M29.8Very low30.8Very low165 Ų165119.2 Ų119.281%0.81375%0.746SS**  cis-170161.2-8.5-104.6-177-17400107.2
295V29.9Very low31Very low109 Ų109117.8 Ų117.866%0.66175%0.746SS**  cis-149.7139.3-3.6-104.30000110.6
296N29.6Very low31.2Very low152 Ų152121.5 Ų121.581%0.81376%0.757SS**  35157124.5-5910000124.2
297A34.2Very low31.4Very low77 Ų77120.2 Ų120.264%0.63676%0.76SS**  cis177.7-167-22.200000110.1
298V33.2Very low31.6Very low131 Ų131117.9 Ų117.979%0.79475%0.754SS**  trans92.4140.1158.8-171.10000116.6
299D31.7Very low32Very low136 Ų136125.2 Ų125.273%0.72776%0.759SS**  cis165.2162.8-44.6-96.952.6000108.8
300V36.2Very low32.1Very low104 Ų104124.5 Ų124.563%0.6375%0.754SS**  cis-175.9172.7-25.969.20000109.4
301N35.9Very low33Very low127 Ų127126 Ų12668%0.67975%0.752SS**  trans70.8161.6162.9-71.4-18.2000119.5
302N33.7Very low33.1Very low143 Ų143126.1 Ų126.177%0.76575%0.75SS**  cis-165154.3-21.9-110.1-23.6000114.3
303G37.2Very low33.2Very low74 Ų74127.3 Ų127.376%0.76375%0.754SS**  trans83167146.500000120.8
304A33.3Very low33.2Very low94 Ų94127.8 Ų127.878%0.77776%0.757SS**  cis-171.6167-19.700000113.6
305V31.2Very low33.2Very low143 Ų143125.3 Ų125.387%0.86775%0.751SS**  trans87134.9158.1-166.40000121.5
306Q31.1Very low33.2Very low174 Ų174131.2 Ų131.281%0.81376%0.762SS**  trans-72.2171.2-174.1-47.8164.66.200116.7
307V32.7Very low33.4Very low135 Ų135128.8 Ų128.882%0.81876%0.757SS**  -175.3151.3107.3150.60000110.9
308A30.8Very low33.3Very low83 Ų83133.6 Ų133.669%0.68677%0.768SS**  trans-104.2174.6-164.900000115.4
309Y34.5Very low33.9Very low234 Ų234132.6 Ų132.692%0.91876%0.764SS**  -168.8176.5129.4-99.2-64.5000111.9
310S32.2Very low34.5Very low109 Ų109131 Ų13176%0.76276%0.761SS**  trans-162.3-169.8-164.4-128.70000110
311P46.8Very low34.1Very low96 Ų96136.2 Ų136.262%0.62377%0.771SS**  cis-137.3-162.5-26.740-21.1000113.3
312Q32.4Very low33.9Very low181 Ų181135.3 Ų135.385%0.84677%0.774SS**  trans69.9158.5153.8-76.71773600118.5
313S31.7Very low33.7Very low105 Ų105135.3 Ų135.373%0.73478%0.775SS**  cis-155.9138.7-5.654.10000109.2
314S30.3Very low33.4Very low111 Ų111138.9 Ų138.978%0.77678%0.776SS**  99.2165.288-1690000116.2
315V28.8Very low33.1Very low113 Ų113138.5 Ų138.569%0.68577%0.768SS**  trans85.6108.4159.8-166.30000121.5
316R29.8Very low33.1Very low233 Ų233140.7 Ų140.788%0.87977%0.766SS**  trans64.5163.1147.7-71.2176.8-177.4-174.10120
317S33.3Very low33Very low102 Ų102139.9 Ų139.971%0.71376%0.762SS**  cis-168140.4-24.751.80000113.1
318M31.9Very low32.9Very low178 Ų178137.9 Ų137.988%0.87775%0.754SS**  trans25.8127.5153.5-71.7-66.9169.500123.2
319P46.5Very low33.1Very low110 Ų110139.8 Ų139.871%0.71476%0.763SS**  trans-91.7172.2154.739.8-34.6000112.3
320P44.2Very low33Very low101 Ų101138.8 Ų138.866%0.65676%0.763SS**  -155.9179.7113.131.6-8.6000117.4
321Y28.6Very low33.2Very low215 Ų215138.2 Ų138.284%0.84377%0.765SS**  trans75.2160.7165.7-57.7-64.6000118.3
322S31.6Very low32.5Very low107 Ų107142.2 Ų142.275%0.74878%0.775SS**  cis-146-175.510.5-150.60000114.6
323N28.2Very low32.5Very low144 Ų144143 Ų14377%0.7778%0.778SS**  trans-84-168.9179-69.5-40.3000114
324D31.5Very low32.4Very low148 Ų148141.2 Ų141.279%0.79178%0.776SS**  trans83.8149.7165.3-67.1-55.4000117.1
325S27.1Very low32.6Very low87 Ų87144 Ų14461%0.60878%0.781SS**  cis166.9172.7-20.3-90.50000104.3
326F30.6Very low32.6Very low189 Ų189142.8 Ų142.883%0.82978%0.783SS**  trans70.787.9172.7-79.4-83.8000120.1
327E29.3Very low32.9Very low157 Ų157140.6 Ų140.673%0.73479%0.785SS**  45.4139.5103.9-134.9-159.3134.500123.2
328S31.4Very low32.9Very low93 Ų93141.8 Ų141.865%0.6579%0.788SS**  trans56124.4151-72.80000119.6
329S34.1Very low33Very low123 Ų123143.1 Ų143.186%0.8679%0.792SS**  -164.5166.276.4-72.60000115.2
330K33Very low32.3Very low213 Ų213140.8 Ų140.893%0.92679%0.788SS**  trans-101.6134.6175.7-62.5170.9-178.9169.20112.6
331A36.2Very low31.5Very low96 Ų96147.1 Ų147.179%0.79380%0.8SS**  trans-153.4127.3148.300000106.1
332H32.3Very low31.9Very low180 Ų180142.5 Ų142.583%0.83380%0.797SS**  cis80.8131.827.9-125.440.1000114
333Q31.9Very low32Very low198 Ų198142.9 Ų142.993%0.92580%0.799SS**  trans68.8142.5-171.9-52.2172.87.300114.5
334G29.5Very low32.5Very low67 Ų67141.7 Ų141.769%0.69180%0.799SS**  cis173.4-169.7-600000112.7
335I34.3Very low32.4Very low170 Ų170138.6 Ų138.687%0.87279%0.794SS**  trans69.3119.6170-51.3174.8000115.3
336A29.2Very low32.8Very low88 Ų88140.6 Ų140.673%0.72780%0.803SS**  trans-98.3151.9166.500000110.4
337M36.8Very low33Very low187 Ų187138.3 Ų138.392%0.92180%0.795SS**  trans-137.5151.9153.7-79.5-151.5178.300110.7
338T32.6Very low33.1Very low126 Ų126142.1 Ų142.177%0.77380%0.804SS**  trans-110.6127.1-168.148.40000112.2
339Q35.1Very low33.1Very low206 Ų206141.1 Ų141.196%0.96380%0.797SS**  trans173.3153.6157.3-97155.741.200107.5
340G30.5Very low33.2Very low61 Ų61143.5 Ų143.563%0.62980%0.795SS**  cis164.175.6-7.200000113.1
341Y28.5Very low33.2Very low235 Ų235140.1 Ų140.192%0.92278%0.782SS**  trans63.3173.6179.9-64.5-87000114.9
342P36.1Very low33.1Very low118 Ų118142.6 Ų142.677%0.76678%0.777SS**  cis-118-171.1-9.441.2-27.5000113.6
343S35Very low33.2Very low114 Ų114141 Ų14180%0.79777%0.77SS**  trans-91.2137.4171.1-172.50000111.6
344P38.2Very low33.2Very low119 Ų119138.8 Ų138.877%0.77376%0.764SS**  trans-99.1146.8165.835.4-29.9000112.3
345A29.3Very low33.2Very low83 Ų83140.6 Ų140.669%0.68677%0.766SS**  trans-126.5172.1159.400000108.1
346T35.1Very low33.1Very low130 Ų130137.6 Ų137.680%0.79877%0.767SS**  trans62.7159.9179.359.30000115.4
347H34.5Very low33.2Very low140 Ų140139 Ų13965%0.64877%0.772SS**  cis-147.41440.7-141.3-76.9000109.9S349H347-S349 PolarHBondContact CE1-OG 3.43Å; H347-S349 VanDerWaalsContact CE1-OG 3.29Å; H347-S349 PolarHBondContact ND1-OG 3.34Å
348Y31.7Very low32.9Very low237 Ų237139 Ų13993%0.92977%0.769SS**  trans-162.9149.5135.2-123.7-80.8000109.9
349S31.9Very low32.8Very low73 Ų73141.4 Ų141.451%0.5178%0.776SS.*  trans-164.3132.4-154.449.90000114.8H347H347-S349 PolarHBondContact CE1-OG 3.43Å; H347-S349 VanDerWaalsContact CE1-OG 3.29Å; H347-S349 PolarHBondContact ND1-OG 3.34Å
350Q36.1Very low32.4Very low173 Ų173138.9 Ų138.981%0.80877%0.769SS**  trans-166.6123.3147.3-103.2166.8-500106.5
351Q32.4Very low32.2Very low141 Ų141140.2 Ų140.266%0.65977%0.774SS**  79.2129.272.5-168.4174.425.100110.8
352Q34.6Very low32.4Very low148 Ų148137.4 Ų137.469%0.69277%0.769SS**  cis-118.9134.916-105.7125.335.100112.2
353Q34.3Very low32Very low147 Ų147137.4 Ų137.469%0.68776%0.762SS**  77.1107.593.6-70-173.7-26.100115.5
354L31.1Very low31.7Very low151 Ų151139.7 Ų139.779%0.79176%0.761SS**  92.1138.595.9-72.6173.5000112
355S30.6Very low31Very low106 Ų106138.7 Ų138.774%0.74176%0.756SS**  cis-155.6151.1-9.147.40000110.1
356A31Very low30.9Very low107 Ų107139.3 Ų139.388%0.88476%0.756SS**  trans-106.9125.7168.700000109.4
357S32.8Very low30.4Very low118 Ų118142 Ų14283%0.82576%0.757SS**  trans-100.6144.3173.444.50000111.1
358Q30.5Very low30.1Very low185 Ų185142.1 Ų142.186%0.86476%0.761SS**  trans-90.8155.6170.6-55.8170.4-75.100109.2
359L29.2Very low30Very low177 Ų177140.6 Ų140.693%0.92776%0.759SS**  -167.3148.6122.9-106.1161.2000111.6
360D26.4Very low29.7Very low153 Ų153140.6 Ų140.682%0.81877%0.771SS**  trans-105.5168.3172.9-121.1-47.4000109.1
361A27.6Very low29.4Very low89 Ų89139.8 Ų139.874%0.73677%0.772SS**  trans62.992.2163.300000120
362H31.3Very low29Very low176 Ų176142.9 Ų142.982%0.81578%0.779SS**  trans-150.298.3143.5-132.8-99.2000106.8
363L29.1Very low28.8Very low119 Ų119142.4 Ų142.462%0.62378%0.781SS**  85.3131.788.9-89.5168.9000114.8
364Q27.7Very low28.7Very low162 Ų162141.9 Ų141.976%0.75778%0.778SS**  trans54.9102.8153.7-70.7161.1-1300117.7
365S24.9Very low28.7Very low98 Ų98143.2 Ų143.269%0.68578%0.781SS**  75.9128.369.976.20000115.8
366S25.3Very low28.6Very low96 Ų96145.2 Ų145.267%0.67178%0.778SS**  trans96.3143.8150.5-49.90000120
367F26.1Very low28.5Very low186 Ų186146.5 Ų146.582%0.81678%0.775SS**  trans78101.6160.2-58.7-64.2000122.2
368L28Very low28.6Very low143 Ų143144.5 Ų144.575%0.74977%0.766SS**  90.6126.3122.1-69.9167.9000122.9
369K28.5Very low28.5Very low204 Ų204142.4 Ų142.489%0.88777%0.766SS**  trans-6.5120.8140-59.3170.4179.4173.90116.2
370G26.5Very low28.6Very low74 Ų74137.7 Ų137.776%0.76375%0.753SS**  trans-158.4145.6165.300000111.7
371N30Very low28.8Very low155 Ų155137.8 Ų137.883%0.82975%0.748SS**  trans-104.1174.2178.9-81.1-35.8000111.7
372Y23.8Very low29.1Very low206 Ų206138.9 Ų138.981%0.80874%0.738SS**  trans83.6101.5164-75.1-86.9000119.8
373L30.9Very low29.2Very low138 Ų138135.7 Ų135.772%0.72372%0.724SS**  49.9133.8105.9-160.375.3000119.9
374Q30.7Very low29.3Very low136 Ų136133.8 Ų133.864%0.63673%0.725SS**  133.4105.3126.4-163.973.765.700115.9
375Q31.2Very low29.4Very low179 Ų179129.7 Ų129.784%0.83671%0.711SS**  trans-147.597.4148.2-131.1166.631.200106.6
376Q30Very low29.7Very low149 Ų149131 Ų13170%0.69672%0.715SS**  65129.193-66.2-179.135.100111.9
377T29.3Very low30Very low134 Ų134134.7 Ų134.782%0.82272%0.723SS**  cis-136177.726.949.30000112.6
378A33.9Very low30.1Very low76 Ų76130.5 Ų130.563%0.62872%0.717SS**  cis-171.5169.7-41.100000110.1
379T28.9Very low30.3Very low141 Ų141130.2 Ų130.287%0.86571%0.712SS**  trans62.6139.3157.553.30000121.1
380A30Very low30.3Very low78 Ų78130 Ų13065%0.64571%0.705SS**  cis-169.8144.7-13.200000113.6
381Q31.6Very low30.5Very low154 Ų154132 Ų13272%0.7270%0.699SS**  trans66.7154.9148.9-68.5177.216.200119.1
382Q34.3Very low30.5Very low112 Ų112129.9 Ų129.952%0.52369%0.686SS.*  cis-149.2179.86.2-134.8171.479.700113.2
383Q33.1Very low31Very low110 Ų110126 Ų12651%0.51468%0.684SS.*  trans-77.4-170.5-175.6-56.6103.8-15.100113.9N422Q383-N422 VanDerWaalsContact CB-OD1 3.3Å; Q383-N422 WeakPolarHBondContact CB-OD1 3.41Å; Q383-N422 VanDerWaalsContact CD-OD1 3.29Å; Q383-N422 WeakPolarHBondContact CG-OD1 3.43Å; Q383-N422 VanDerWaalsContact NE2-N 3.18Å
384A31.8Very low31Very low78 Ų78127.2 Ų127.265%0.64569%0.691SS**  cis-167.6-178.918.400000109.6
385V29.6Very low31.2Very low77 Ų77123.6 Ų123.647%0.46769%0.69SS.*  cis-173.9178.7-20.6138.40000108.4Q421V385-Q421 HydrophobicContact CG2-CG 4.49Å
386V30.5Very low31.3Very low126 Ų126120.2 Ų120.276%0.76469%0.686SS**  trans81123.4178.9-166.90000114.3
387M30.6Very low31.6Very low173 Ų173119.3 Ų119.385%0.85269%0.69SS**  cis96.7113.322.4-69.2-17169.300117.3
388S29.8Very low31.9Very low98 Ų98118.8 Ų118.869%0.68569%0.689SS**  trans-173.8112.2130.3-149.90000115.6
389Q30.9Very low31.9Very low136 Ų136119.7 Ų119.764%0.63669%0.691SS**  56.2121.6125.6-60.3-170.499.900122.6
390R29.8Very low32.2Very low200 Ų200119.1 Ų119.176%0.75569%0.687SS**  88.715278.5-75.7176.2175.1155.6-8113.6
391N29.7Very low32.4Very low117 Ų117119.7 Ų119.763%0.62669%0.687SS**  cis-168157.7-0.8-114.9-1.5000114
392I30.9Very low32.5Very low110 Ų110119.9 Ų119.956%0.56469%0.692SS**  trans56.7134134.6-63.7174.6000121
393V33.3Very low33.1Very low125 Ų125119.8 Ų119.876%0.75870%0.702SS**  cis91110.11.8-169.50000120.6
394N31.7Very low33.2Very low162 Ų162120.2 Ų120.287%0.86672%0.717SS**  trans-165.3149.4165.5178.670.1000116.6
395G33.5Very low33.4Very low60 Ų60121.1 Ų121.162%0.61972%0.718SS**  trans89.1164.5162.900000117.2
396S33.6Very low33.4Very low108 Ų108123.5 Ų123.576%0.75573%0.733SS**  cis-156.1163.7-16.4-66.90000108
397V36.5Very low33.2Very low130 Ų130122.4 Ų122.479%0.78873%0.73SS**  cis68.8137.326.8-82.30000117.2
398P35.7Very low33.2Very low123 Ų123121.8 Ų121.880%0.79973%0.725SS**  cis-119.9-177.842.317.56.1000116.5
399S33.8Very low33.3Very low96 Ų96124.3 Ų124.367%0.67173%0.73SS**  cis167.3173.5-38.264.40000110.3
400V35Very low33.3Very low128 Ų128121.5 Ų121.578%0.77673%0.73SS**  trans102.4104.1175.2175.20000112.5
401S34.4Very low33.4Very low91 Ų91121.1 Ų121.164%0.63674%0.736SS**  cis101142.440.769.20000112
402D34.6Very low33.5Very low157 Ų157120 Ų12084%0.8474%0.744SS**  cis-159.7175.75.4-115.35.5000113.1
403P46.1Very low33.4Very low111 Ų111118.1 Ų118.172%0.72175%0.751SS**  trans-123.5177.3-162.344.4-34.7000117.7
404S35.4Very low33.1Very low119 Ų119122.8 Ų122.883%0.83276%0.755SS**  trans-169.1152.4154.1-00000109.2
405S35.5Very low32.9Very low97 Ų97122.3 Ų122.368%0.67875%0.752SS**  cis-165.1144.3-6.154.20000111.4
406T29Very low32.7Very low127 Ų127127.8 Ų127.878%0.77976%0.761SS**  53.7129.9125.3-54.80000119.2
407C28Very low32.3Very low103 Ų103126.1 Ų126.170%0.69675%0.749SS**  cis178.8179.54.6-108.10000107.9
408H30.7Very low31.8Very low160 Ų160129.4 Ų129.474%0.74175%0.753SS**  cis-175.1165.8-35.8-127.9-12.5000109.3
409L31.2Very low31.4Very low151 Ų151128 Ų12879%0.79175%0.747SS**  trans61.7166.3158-87.474.2000118.7
410A30.4Very low31.1Very low77 Ų77128.1 Ų128.164%0.63675%0.748SS**  cis-178.7152.5-43.300000111
411E32.3Very low30.8Very low191 Ų191128 Ų12889%0.89374%0.739SS**  -139.3130.9118.5-79.6-167112.900106.2
412A31.3Very low30.4Very low94 Ų94127 Ų12778%0.77773%0.726SS**  cis81.2128.246.700000113.1
413G29.8Very low30.2Very low70 Ų70125.6 Ų125.672%0.72272%0.723SS**  cis164.5160.8-15.700000115.1
414R26.4Very low29.3Very low224 Ų224124.2 Ų124.285%0.84571%0.709SS**  trans64.2124.9157.3-67.3-169.3165.9-179.3-3.5117.8
415L28Very low29Very low152 Ų152126.5 Ų126.580%0.79671%0.706SS**  89.2154.653.8-80.6-179.5000113.9
416Q28Very low28.8Very low175 Ų175129.2 Ų129.282%0.81871%0.708SS**  trans90.1148.8174.4-55.7-174.139.600116.2
417S26Very low29Very low72 Ų72130.9 Ų130.950%0.50371%0.707SS.*  cis165154.3-49.748.90000109.7
418F25.9Very low29.1Very low199 Ų199133.5 Ų133.587%0.87371%0.709SS**  trans68.7161.5174.1-52.1-70.2000115.1
419S27.5Very low29Very low95 Ų95132.7 Ų132.766%0.66471%0.706SS**  cis-171.3164.1-30.3177.30000108.6
420S27.5Very low29Very low98 Ų98132.1 Ų132.169%0.68570%0.699SS**  trans72.7136.6162.2-48.20000115.1
421Q29Very low28.8Very low126 Ų126135.4 Ų135.459%0.58970%0.701SS**  cis110.4121.822.8-82.4-178.18.200113.1V385V385-Q421 HydrophobicContact CG2-CG 4.49Å
422N26.3Very low28.6Very low70 Ų70132.7 Ų132.737%0.37469%0.688SS.*  trans76.4166.2155.5-53.2-14000119Q383Q383-N422 VanDerWaalsContact CB-OD1 3.3Å; Q383-N422 WeakPolarHBondContact CB-OD1 3.41Å; Q383-N422 VanDerWaalsContact CD-OD1 3.29Å; Q383-N422 WeakPolarHBondContact CG-OD1 3.43Å; Q383-N422 VanDerWaalsContact NE2-N 3.18Å
423V29.7Very low28.5Very low127 Ų127135.4 Ų135.477%0.7769%0.685SS**  trans73.3112-173.3-166.20000113.2
424I27.2Very low28.7Very low82 Ų82140.1 Ų140.142%0.42169%0.688SS.*  cis104.411623.2-63.3163.9000112.6
425Q28.9Very low29Very low167 Ų167138 Ų13878%0.7869%0.688SS**  trans63.7162.5166.2-66.1159.3-0.200115
426Q32.5Very low29.4Very low154 Ų154136.6 Ų136.672%0.7269%0.687SS**  cis-159159.622-161.5170.519.200111.3
427Q32.4Very low29.8Very low161 Ų161131.5 Ų131.575%0.75268%0.682SS**  trans54.2127164.9-79.1155.9-1500119
428Q30.3Very low30Very low158 Ų158136.8 Ų136.874%0.73870%0.696SS**  cis79.8131.918.8-149.8-158.677.600116.5
429Q29.6Very low30.4Very low144 Ų144134.1 Ų134.167%0.67369%0.688SS**  trans79.5149.1176-47.3-170.623.900113.9
430Q30.2Very low30.6Very low139 Ų139134.3 Ų134.365%0.6569%0.689SS**  cis-152.4162.315.1-142.8161.874.300111.8
431Q27.2Very low31.1Very low146 Ų146134.7 Ų134.768%0.68269%0.692SS**  trans12.5156.7146-62.3171.431.500121.1
432Q27Very low31.3Very low134 Ų134138 Ų13863%0.62671%0.71SS**  cis-178175.6-6.6-105.5179.320.800107
433Q29.5Very low31.6Very low150 Ų150138 Ų13870%0.70173%0.727SS**  trans68.4145.3147.3-86.5-178.870.900117.8
434Q33.1Very low31.9Very low170 Ų170140.5 Ų140.579%0.79473%0.73SS**  cis-146.2175.613-63.4-164.8-18.100114.3
435H33.9Very low32Very low179 Ų179145.6 Ų145.683%0.82975%0.752SS**  trans-83.3-166.2167.4-100-73.5000111.7
436P36.7Very low32.1Very low122 Ų122142.7 Ų142.779%0.79275%0.749SS**  cis-129.2166.1440.4-22.5000116.1
437G34.7Very low31.8Very low68 Ų68143.5 Ų143.570%0.70175%0.751SS**  127164.19600000110.4
438F32Very low31.5Very low183 Ų183142.6 Ų142.680%0.80375%0.746SS**  cis-162.5122.44.8-166.5-104.3000111.7
439M34.6Very low31.3Very low144 Ų144142.5 Ų142.571%0.70975%0.745SS**  trans52.7157.9149.7-62-169.274.100122.4
440S31.5Very low31.1Very low98 Ų98140.4 Ų140.469%0.68575%0.747SS**  cis-162.3158.4-26.8-98.40000112.2
441S36.6Very low30.9Very low107 Ų107141.1 Ų141.175%0.74875%0.75SS**  trans-76.6159.5175.8550000116
442M33.4Very low30.8Very low194 Ų194143.2 Ų143.296%0.95676%0.757SS**  trans-157.4148.4139.8-105.7-173.7-70.300109.5
443G33.7Very low30.8Very low71 Ų71143.4 Ų143.473%0.73276%0.762SS**  cis164.7114.5-3.500000111.2
444Q35.6Very low31Very low180 Ų180141.4 Ų141.484%0.84176%0.762SS**  trans-47160.9178.3-55.2160.3-4.800115
445Q28.7Very low30.8Very low188 Ų188140.5 Ų140.588%0.87976%0.762SS**  -158.6151.1116.9-112.1170.229.600114.3
446C30.9Very low30.4Very low107 Ų107136.9 Ų136.972%0.72375%0.753SS**  trans-85.5176.6173.2-47.40000110.4
447F26Very low29.9Very low171 Ų171137.5 Ų137.575%0.7576%0.755SS**  -174.8131.6114.7-115.3-128.6000114.1
448Q26.2Very low29.6Very low142 Ų142139 Ų13966%0.66476%0.76SS**  trans65.3151.8138.5-80.9-1709.300124.7
449H26.1Very low29.4Very low155 Ų155137.1 Ų137.172%0.71876%0.764SS**  trans7187.2148.5-80.4100.6000121.5
450S24.7Very low29Very low100 Ų100140.8 Ų140.870%0.69977%0.77SS**  87.4159.1110.9-144.10000121.1
451Q26.3Very low28.8Very low155 Ų155144.1 Ų144.172%0.72478%0.776SS**  trans82.998.3155.7-56.6-123.86.500121.2
452F25.5Very low28.3Very low190 Ų190145.5 Ų145.583%0.83378%0.775SS**  trans80.1150.6135.4-76.3-82.7000124.2
453L27Very low28Very low138 Ų138144 Ų14472%0.72377%0.766SS**  trans-83.1171.1171.5-63.8160.9000110.6
454P33.2Very low27.7Very low108 Ų108144.5 Ų144.570%0.70176%0.764SS**  -135.1162.388.237.9-28000112.2T456P454-T456 WeakPolarHBondContact CB-OG1 3.29Å
455N28.7Very low27.4Very low150 Ų150140 Ų14080%0.80276%0.757SS**  cis12.991.7-4.7-661.4000120.8
456T26.4Very low27.6Very low104 Ų104141.7 Ų141.764%0.63876%0.757SS**  trans-169.6111.2148.718.30000107.9P454P454-T456 WeakPolarHBondContact CB-OG1 3.29Å
457T25.9Very low27.7Very low134 Ų134144.9 Ų144.982%0.82276%0.758SS**  75.2147.395.257.90000116.7
458A28.4Very low28.1Very low99 Ų99145.9 Ų145.982%0.81877%0.765SS**  trans-81.7153.2-173.300000114.2
459V28.2Very low28.3Very low144 Ų144147.8 Ų147.887%0.87377%0.772SS**  trans-136.6141.5161.31760000108.9
460R26.4Very low29Very low222 Ų222145.8 Ų145.884%0.83877%0.773SS**  trans-104.8164.9174.1-178.7-167-78.1170.6-6.5108.3
461M26.7Very low29.3Very low167 Ų167144.8 Ų144.882%0.82377%0.766SS**  trans93.9121.1176.5-54.6-166.5-176.600112.5
462N26.6Very low29.7Very low136 Ų136143 Ų14373%0.72777%0.766SS**  91.7142.378-155.939.1000109.3
463E27.1Very low30.3Very low162 Ų162139.9 Ų139.976%0.75776%0.762SS**  cis-149.1171.116.2-163.4163.214200112.6
464A27.5Very low30.7Very low83 Ų83140.1 Ų140.169%0.68676%0.764SS**  trans-8.1159.7170.200000125.4
465A29.4Very low30.7Very low84 Ų84140.3 Ų140.369%0.69477%0.767SS**  trans76.9126.7155.100000118
466Y33.2Very low30.8Very low224 Ų224140.8 Ų140.888%0.87876%0.764SS**  -144.7160.664.2-116.4-100000116.1
467K32.8Very low31.4Very low174 Ų174141.6 Ų141.676%0.75777%0.772SS**  trans-86.9149.9-167.4-52.7158.6179.51730113
468Q33.6Very low31.8Very low192 Ų192140.9 Ų140.990%0.89777%0.767SS**  -174.2165.6106.8-99.7167.2-12.800114.7
469F31.1Very low32.1Very low182 Ų182142.9 Ų142.980%0.79877%0.769SS**  trans-96.1-178.3-168.7-91.9-90.1000111.9
470P39.3Very low32.2Very low113 Ų113142.9 Ų142.973%0.73477%0.77SS**  cis-130.5162.620.647.2-30.7000114.9
471S32.5Very low32.6Very low79 Ų79135.6 Ų135.655%0.55276%0.764SS**  cis63.6118.841.174.40000114.1
472T34.4Very low32.7Very low118 Ų118132.3 Ų132.372%0.72476%0.763SS**  -166.5-175.258.239.60000111.5
473T38.8Very low33.1Very low125 Ų125134.2 Ų134.277%0.76777%0.77SS**  trans83.5142.6168.369.30000119
474D35.1Very low33.2Very low143 Ų143134.1 Ų134.177%0.76577%0.769SS**  cis-165.8-175.2-34.8-130-67.7000113.4
475C32.3Very low33.4Very low112 Ų112136.3 Ų136.376%0.75778%0.78SS**  trans65.684.4157.5-72.10000120.3
476Q31.7Very low33.7Very low159 Ų159135.5 Ų135.574%0.74378%0.78SS**  trans-78.7161139.3-85.4-83.9-30.600109.9
477P38.4Very low34Very low122 Ų122133.5 Ų133.579%0.79278%0.78SS**  -147.5151.191.137.5-20.3000116.6
478T33.4Very low34.2Very low118 Ų118130 Ų13072%0.72478%0.776SS**  trans-86.1148.5162.7490000112.3
479T36.4Very low34Very low141 Ų141127.5 Ų127.587%0.86577%0.768SS**  trans-147.2153.2155.1-23.70000112
480T29.6Very low33.9Very low145 Ų145125.1 Ų125.189%0.8977%0.769SS**  trans-108.1153.3-173.544.30000113.4
481G34.3Very low33.4Very low69 Ų69124 Ų12471%0.71176%0.762SS**  trans160.9105.817300000109
482A29.4Very low33.3Very low98 Ų98128.8 Ų128.881%0.8178%0.776SS**  77.314453.300000113.2
483M34.4Very low33.1Very low175 Ų175126.2 Ų126.286%0.86277%0.773SS**  trans69.9152-175.5-65.7-177.517200116.2
484Q30.3Very low32.8Very low161 Ų161128.7 Ų128.775%0.75278%0.776SS**  cis-169.2154.5-38-124.1175.817.100108.3
485S31.4Very low32.6Very low129 Ų129127.3 Ų127.390%0.90277%0.769SS**  trans62.7154.117176.40000116.8
486G35Very low32.6Very low67 Ų67127 Ų12769%0.69176%0.763SS**  cis-167.8152.5-8.200000111.7
487M40.5Very low32.6Very low181 Ų181125.6 Ų125.689%0.89276%0.756SS**  trans-66147.3161.4-73.4-75.417000108.9
488P36.8Very low32.3Very low102 Ų102128 Ų12866%0.66275%0.754SS**  -142.9135.5106.536-21.9000115.1
489N29.3Very low32.2Very low138 Ų138126.3 Ų126.374%0.73875%0.752SS**  51.8143.7119.5-53.2-24.5000121.9
490V28.6Very low31.8Very low133 Ų133127.3 Ų127.381%0.80675%0.746SS**  73.2137129157.90000117
491C28.3Very low32Very low88 Ų88126.9 Ų126.960%0.59574%0.738SS**  cis-152.1-1754-137.10000111.9
492Q30.3Very low31.7Very low180 Ų180132.5 Ų132.584%0.84175%0.746SS**  trans47.8119.1146.5-69.4153.227.100118.1
493G31.1Very low31.8Very low65 Ų65131 Ų13167%0.6774%0.739SS**  cis143.5-1753.800000110.3
494E31.2Very low31.5Very low177 Ų177131.3 Ų131.383%0.82774%0.739SS**  trans66.2138.9160.3-57.4-146.4163.700116.9
495N31.4Very low31.4Very low114 Ų114129.3 Ų129.361%0.6174%0.737SS**  cis-157.9169.1-7.3-127.4-32.6000111.7
496V32Very low31.4Very low104 Ų104130.1 Ų130.163%0.6373%0.731SS**  trans25.4121.11341630000116.2
497H32.7Very low31.3Very low131 Ų131133.9 Ų133.961%0.60673%0.73SS**  cis-172.5178.325.2-128.320.6000115.2
498K31.7Very low30.8Very low172 Ų172132.9 Ų132.975%0.74872%0.723SS**  trans10.5152.6137-65.9177.2-170.5148.10119.4
499A31.7Very low30.7Very low82 Ų82133 Ų13368%0.67873%0.726SS**  cis-173.8161-12.800000106.7
500H28Very low31Very low162 Ų162130.4 Ų130.475%0.7573%0.725SS**  62.3144.9102.7-164.963.9000117.1
501L34.1Very low31.5Very low136 Ų136130.6 Ų130.671%0.71273%0.726SS**  trans71.3135.8-175.9-49.3172.6000114.2
502Q27.8Very low31.8Very low188 Ų188130.5 Ų130.588%0.87974%0.74SS**  cis85.9130.916.3-157.8168.1-14.700115.3
503G31.3Very low32.1Very low65 Ų65125.7 Ų125.767%0.6774%0.739SS**  trans97.3119.7-163.900000109.7
504Q27.8Very low32.2Very low183 Ų183127.8 Ų127.886%0.85575%0.75SS**  cis90.9116.640.8-74.5-162.9-1.100115
505V28.1Very low32.5Very low119 Ų119128.3 Ų128.372%0.72175%0.754SS**  trans80.4150.7132.8169.80000118.3
506L30.8Very low33.1Very low146 Ų146129.2 Ų129.276%0.76476%0.764SS**  trans70.1141.1175.6-72.8156.3000115.1
507E33.2Very low33.7Very low146 Ų146129.7 Ų129.768%0.68277%0.769SS**  cis-133.1159.64.8-77.1-143.794.700115.5
508Q31.6Very low34.3Very low159 Ų159129.9 Ų129.974%0.74378%0.78SS**  trans-1.5155.7136.3-27.3-173.64900118.2
509S33.9Very low35Very low104 Ų104128.4 Ų128.473%0.72779%0.785SS**  cis-166.117424.859.70000112.4
510A36.5Very low35.6Very low85 Ų85127.6 Ų127.670%0.70278%0.784SS**  trans62.5152.7153.700000120.5
511T38.4Very low36.6Very low136 Ų136129.1 Ų129.183%0.83479%0.789SS**  cis-162140.3-29.128.40000108.5
512G34.5Very low37.4Very low86 Ų86126.4 Ų126.489%0.88778%0.779SS**  trans67.6128148.300000119.9
513G36.7Very low39.1Very low79 Ų79125.5 Ų125.581%0.81477%0.772SS**  trans144.484.1167.700000113.7M515G513-M515 PolarHBondContact O-N 2.79Å
514A32.5Very low40.6Very low110 Ų110133.5 Ų133.591%0.90978%0.782SS**  trans-76.5122.8-179.900000111.9
515M38.7Very low42.5Very low187 Ų187134.3 Ų134.392%0.92178%0.778SS**  trans-127.1141.5162.7-73.6-158172.500110.5G513G513-M515 PolarHBondContact O-N 2.79Å
516V42.9Very low44.8Very low133 Ų133132.8 Ų132.881%0.80677%0.765SS**  trans-70.6129.6-175.21790000110.4T518V516-T518 PolarHBondContact O-N 2.88Å; V516-T518 VanDerWaalsContact O-N 3.11Å
517P45.6Very low46.8Very low114 Ų114133.7 Ų133.774%0.7476%0.759SS**  trans-76.7100.7-178.429.8-34.5000111.8V519P517-V519 PolarHBondContact O-N 2.73Å
518T43.9Very low48.9Very low136 Ų136131.4 Ų131.483%0.83475%0.748SS**  trans-62.4121.5170.9-50.20000110.6V516 G520V516-T518 PolarHBondContact O-N 2.88Å; V516-T518 VanDerWaalsContact O-N 3.11Å; T518-G520 PolarHBondContact O-N 2.87Å
519V46.6Very low51.3Low141 Ų141131.6 Ų131.686%0.85574%0.742SS**  trans-68.894.8-175.8-1780000111.2P517P517-V519 PolarHBondContact O-N 2.73Å
520G45.4Very low53.5Low64 Ų64135.4 Ų135.466%0.6674%0.74SS**PPolyproline II helixtrans-64.9130.8178.700000112.8T518T518-G520 PolarHBondContact O-N 2.87Å
521K49.1Very low55.6Low194 Ų194137.4 Ų137.484%0.84373%0.733SS**PPolyproline II helixtrans-60.2135.7173.6-65.3172.5-177.6172.40109.5
522P50.3Low57.6Low79 Ų79135.4 Ų135.451%0.51371%0.714SS.*PPolyproline II helixtrans-60.3142-173.723.6-34.4000111.9R527P522-R527 HydrophobicContact CG-CG 4.33Å
523K63.4Low60Low169 Ų169139.9 Ų139.974%0.73570%0.704SS**PPolyproline II helixtrans-56.4143.5-176.3-77-178.6175.7177.50110.4R525 D526K523-R525 PolarHBondContact O-N 3.39Å; K523-D526 PolarHBondContact O-N 3.46Å
524R62Low62.1Low234 Ų234140.9 Ų140.988%0.88369%0.688SS**Hα-helixtrans-52-31.3-175-164.6174.1179.7-178.7-0.9113Q528R524-Q528 PolarHBondContact O-N 3.14Å
525R68.8Low64.3Low200 Ų200139.1 Ų139.176%0.75566%0.662SS**Hα-helixtrans-66.8-32.6177.2-140.8176.4-159.7172.96.2113.8K523 R529K523-R525 PolarHBondContact O-N 3.39Å; R525-R529 PolarHBondContact O-N 3.32Å
526D76Confident66.5Low87 Ų87132.9 Ų132.947%0.46564%0.641SS.*Hα-helixtrans-81.2-37.1-177.9-56.2-50.5000111.7K523 Q528 R529 R530K523-D526 PolarHBondContact O-N 3.46Å; D526-Q528 VanDerWaalsContact C-N 3.28Å; D526-Q528 PolarHBondContact O-N 3Å; D526-R529 PolarHBondContact O-N 3.44Å; D526-R530 PolarHBondContact O-N 3Å
527R72Confident68.5Low164 Ų164132.6 Ų132.662%0.61963%0.631SS**Hα-helixtrans-61.4-38.7168.2-79-174.1168.2-164.8-4.6111.5P522 K531P522-R527 HydrophobicContact CG-CG 4.33Å; R527-K531 PolarHBondContact O-N 2.97Å
528Q79Confident70.3Confident99 Ų99130.3 Ų130.346%0.46362%0.615SS.*Hα-helixtrans-64.1-48.9174.5-177.961.423.400111.3R524 D526 R530 K531 E532R524-Q528 PolarHBondContact O-N 3.14Å; D526-Q528 VanDerWaalsContact C-N 3.28Å; D526-Q528 PolarHBondContact O-N 3Å; Q528-R530 VanDerWaalsContact C-N 3.31Å; Q528-R530 PolarHBondContact O-N 2.91Å; Q528-K531 PolarHBondContact O-N 3.17Å; Q528-K531 VanDerWaalsContact O-N 3.16Å; Q528-E532 VanDerWaalsContact CG-OE1 3.29Å; Q528-E532 WeakPolarHBondContact CG-OE1 3.24Å; Q528-E532 PolarHBondContact NE2-OE1 2.99Å; Q528-E532 WeakPolarHBondContact O-CG 3.43Å; Q528-E532 PolarHBondContact O-N 3.25Å
529R81.1Confident71.9Confident163 Ų163126.5 Ų126.562%0.61559%0.589SS**Hα-helixtrans-65.3-25.6178.4-79-174.4166.9-151.6-6.3115R525 D526 R533R525-R529 PolarHBondContact O-N 3.32Å; D526-R529 PolarHBondContact O-N 3.44Å; R529-R533 WeakPolarHBondContact O-CG 3.27Å; R529-R533 PolarHBondContact O-N 3.2Å
530R79.5Confident73.7Confident184 Ų184124.9 Ų124.969%0.69457%0.572SS**Hα-helixtrans-69.2-51168.3-75.7-169.5-179.2-169.9-0.7111.2D526 Q528 E532 R533 E534D526-R530 PolarHBondContact O-N 3Å; Q528-R530 VanDerWaalsContact C-N 3.31Å; Q528-R530 PolarHBondContact O-N 2.91Å; R530-E532 PolarHBondContact O-N 2.96Å; R530-R533 WeakPolarHBondContact O-CB 3.39Å; R530-R533 PolarHBondContact O-N 3.08Å; R530-E534 WeakPolarHBondContact O-CG 3.43Å; R530-E534 PolarHBondContact O-N 3.16Å
531K80.4Confident75.3Confident126 Ų126124.2 Ų124.255%0.54856%0.56SS.*Hα-helixtrans-57.7-34.8176.2-72-169.5172-159.40113.5R527 Q528 E534 I535R527-K531 PolarHBondContact O-N 2.97Å; Q528-K531 PolarHBondContact O-N 3.17Å; Q528-K531 VanDerWaalsContact O-N 3.16Å; K531-E534 WeakPolarHBondContact CA-OE2 3.36Å; K531-I535 WeakPolarHBondContact O-CB 3.39Å; K531-I535 WeakPolarHBondContact O-CD1 3.48Å; K531-I535 WeakPolarHBondContact O-CG1 3.27Å; K531-I535 PolarHBondContact O-N 3.2Å
532E80.7Confident77Confident95 Ų95117.1 Ų117.144%0.44453%0.531SS..Hα-helixtrans-66.9-34.7175.7-74162.9173.300112.6Q528 R530 A536Q528-E532 VanDerWaalsContact CG-OE1 3.29Å; Q528-E532 WeakPolarHBondContact CG-OE1 3.24Å; Q528-E532 PolarHBondContact NE2-OE1 2.99Å; Q528-E532 WeakPolarHBondContact O-CG 3.43Å; Q528-E532 PolarHBondContact O-N 3.25Å; R530-E532 PolarHBondContact O-N 2.96Å; E532-A536 PolarHBondContact O-N 3.05Å; E532-A536 VanDerWaalsContact O-N 3.17Å
533R84.7Confident78.7Confident179 Ų179117.3 Ų117.368%0.67553%0.528SS*.Hα-helixtrans-72.4-47.3171.9-67.1177.5-172.7-163.6-1.1112R529 R530 I535 A536 E537R529-R533 WeakPolarHBondContact O-CG 3.27Å; R529-R533 PolarHBondContact O-N 3.2Å; R530-R533 WeakPolarHBondContact O-CB 3.39Å; R530-R533 PolarHBondContact O-N 3.08Å; R533-I535 PolarHBondContact O-N 3.03Å; R533-A536 PolarHBondContact O-N 3.01Å; R533-E537 WeakPolarHBondContact O-CG 3.47Å; R533-E537 PolarHBondContact O-N 2.95Å
534E81.4Confident79.5Confident101 Ų101116.4 Ų116.447%0.47252%0.52SS..Hα-helixtrans-54.6-37.1176-67.1156-158.300111.3R530 K531 V538R530-E534 WeakPolarHBondContact O-CG 3.43Å; R530-E534 PolarHBondContact O-N 3.16Å; K531-E534 WeakPolarHBondContact CA-OE2 3.36Å; E534-V538 VanDerWaalsContact O-CG2 3.3Å; E534-V538 WeakPolarHBondContact O-CG2 3.14Å; E534-V538 PolarHBondContact O-N 2.92Å
535I80Confident80.3Confident72 Ų72110.9 Ų110.937%0.36950%0.504SS..Hα-helixtrans-71.1-42.2174.2-71.2165.1000112.1K531 R533 V538 D539K531-I535 WeakPolarHBondContact O-CB 3.39Å; K531-I535 WeakPolarHBondContact O-CD1 3.48Å; K531-I535 WeakPolarHBondContact O-CG1 3.27Å; K531-I535 PolarHBondContact O-N 3.2Å; R533-I535 PolarHBondContact O-N 3.03Å; I535-V538 PolarHBondContact O-N 2.85Å; I535-D539 PolarHBondContact O-N 3.14Å
536A84.5Confident80.8Confident57 Ų57105.7 Ų105.747%0.47149%0.491SS..Hα-helixtrans-68.1-37.8179.900000112.9E532 R533 D539 Q540E532-A536 PolarHBondContact O-N 3.05Å; E532-A536 VanDerWaalsContact O-N 3.17Å; R533-A536 PolarHBondContact O-N 3.01Å; A536-D539 PolarHBondContact O-N 3.32Å; A536-Q540 WeakPolarHBondContact O-CB 3.39Å; A536-Q540 PolarHBondContact O-N 2.9Å
537E83.5Confident81Confident126 Ų126105 Ų10559%0.58949%0.49SS*.Hα-helixtrans-64-39.9175.2-72.9165.8-163.400111.2R533 Q540 A541R533-E537 WeakPolarHBondContact O-CG 3.47Å; R533-E537 PolarHBondContact O-N 2.95Å; E537-Q540 PolarHBondContact O-N 3.16Å; E537-A541 WeakPolarHBondContact O-CB 3.36Å; E537-A541 PolarHBondContact O-N 3.47Å
538V83.7Confident81Confident67 Ų67102.3 Ų102.341%0.40649%0.485SS..Hα-helixtrans-68.6-41.8173.9171.20000112.4E534 I535 Q540 A541 L542E534-V538 VanDerWaalsContact O-CG2 3.3Å; E534-V538 WeakPolarHBondContact O-CG2 3.14Å; E534-V538 PolarHBondContact O-N 2.92Å; I535-V538 PolarHBondContact O-N 2.85Å; V538-Q540 VanDerWaalsContact C-N 3.29Å; V538-Q540 PolarHBondContact O-N 3.43Å; V538-A541 PolarHBondContact O-N 2.86Å; V538-L542 WeakPolarHBondContact O-CB 3.38Å; V538-L542 PolarHBondContact O-N 3.04Å
539D78.3Confident80.7Confident55 Ų55102.3 Ų102.329%0.29449%0.488SS..Hα-helixtrans-64.6-35.4176.4-147.969000110.5I535 A536 N543 K989I535-D539 PolarHBondContact O-N 3.14Å; A536-D539 PolarHBondContact O-N 3.32Å; D539-N543 PolarHBondContact O-N 2.93Å; D539-N543 PolarHBondContact O-ND2 3.42Å; D539-K989 VanDerWaalsContact CG-NZ 3.28Å; D539-K989 IonicContact OD1-NZ 3.33Å; D539-K989 PolarHBondContact OD1-NZ 2.74Å; D539-K989 IonicContact OD2-NZ 2.88Å; D539-K989 PolarHBondContact OD2-NZ 3.02Å
540Q84.5Confident80.3Confident108 Ų10897.8 Ų97.851%0.50549%0.485SS..Hα-helixtrans-70.2-40.1172.8-163.2-176.138.700112.6A536 E537 V538 N543 R544A536-Q540 WeakPolarHBondContact O-CB 3.39Å; A536-Q540 PolarHBondContact O-N 2.9Å; E537-Q540 PolarHBondContact O-N 3.16Å; V538-Q540 VanDerWaalsContact C-N 3.29Å; V538-Q540 PolarHBondContact O-N 3.43Å; Q540-N543 PolarHBondContact O-N 3.23Å; Q540-R544 WeakPolarHBondContact O-CG 3.4Å; Q540-R544 PolarHBondContact O-N 2.95Å; Q540-R544 VanDerWaalsContact O-N 3.08Å
541A78.6Confident79.5Confident49 Ų4997.5 Ų97.541%0.40548%0.484SS..Hα-helixtrans-64-42.9176.800000112.1E537 V538 N543 R544 H545E537-A541 WeakPolarHBondContact O-CB 3.36Å; E537-A541 PolarHBondContact O-N 3.47Å; V538-A541 PolarHBondContact O-N 2.86Å; A541-N543 PolarHBondContact O-N 2.98Å; A541-R544 WeakPolarHBondContact O-CB 3.39Å; A541-R544 PolarHBondContact O-N 2.98Å; A541-H545 PolarHBondContact O-N 3.34Å
542L85Confident78.2Confident45 Ų4598 Ų9824%0.23649%0.493CS..Hα-helixtrans-58.3-48.3174.2-173.681000111.4V538 R544 H545 L546 I985V538-L542 WeakPolarHBondContact O-CB 3.38Å; V538-L542 PolarHBondContact O-N 3.04Å; L542-R544 VanDerWaalsContact C-N 3.29Å; L542-R544 PolarHBondContact O-N 3.21Å; L542-H545 PolarHBondContact O-N 3.01Å; L542-H545 VanDerWaalsContact O-N 3.08Å; L542-L546 HydrophobicContact CD2-CD1 4.23Å; L542-L546 HydrophobicContact CG-CD1 4.03Å; L542-L546 HydrophobicContact CG-CG 4.45Å; L542-L546 WeakPolarHBondContact O-CG 3.17Å; L542-L546 PolarHBondContact O-N 3.2Å; L542-I985 HydrophobicContact CD1-CD1 4.02Å; L542-I985 HydrophobicContact CD1-CG2 4.39Å; L542-I985 HydrophobicContact CD2-CG2 3.85Å
543N84.9Confident76.5Confident84 Ų8497.7 Ų97.745%0.44950%0.501SS..Hα-helixtrans-61.2-36.1178.5-80.2-60.4000112.4D539 Q540 A541 T547D539-N543 PolarHBondContact O-N 2.93Å; D539-N543 PolarHBondContact O-ND2 3.42Å; Q540-N543 PolarHBondContact O-N 3.23Å; A541-N543 PolarHBondContact O-N 2.98Å; N543-T547 WeakPolarHBondContact O-CB 3.47Å; N543-T547 PolarHBondContact O-N 3.42Å; N543-T547 PolarHBondContact O-OG1 2.93Å
544R81.4Confident74.4Confident150 Ų15098.8 Ų98.857%0.56651%0.506SS*.Hα-helixtrans-63.8-45.1171.4-69.2174.8-170.7165.57.2111.5Q540 A541 L542 T547 M548Q540-R544 WeakPolarHBondContact O-CG 3.4Å; Q540-R544 PolarHBondContact O-N 2.95Å; Q540-R544 VanDerWaalsContact O-N 3.08Å; A541-R544 WeakPolarHBondContact O-CB 3.39Å; A541-R544 PolarHBondContact O-N 2.98Å; L542-R544 VanDerWaalsContact C-N 3.29Å; L542-R544 PolarHBondContact O-N 3.21Å; R544-T547 WeakPolarHBondContact O-CB 3.23Å; R544-T547 PolarHBondContact O-N 2.91Å; R544-M548 WeakPolarHBondContact O-CG 3.37Å; R544-M548 PolarHBondContact O-N 3.26Å
545H79.2Confident72.3Confident117 Ų11799 Ų9954%0.54252%0.516SS..Hα-helixtrans-63.6-45.5178.9-116.8-75.2000112.6A541 L542 T547 M548 L549A541-H545 PolarHBondContact O-N 3.34Å; L542-H545 PolarHBondContact O-N 3.01Å; L542-H545 VanDerWaalsContact O-N 3.08Å; H545-T547 VanDerWaalsContact C-N 3.29Å; H545-T547 PolarHBondContact O-N 2.73Å; H545-M548 PolarHBondContact O-N 2.91Å; H545-M548 VanDerWaalsContact O-N 3.12Å; H545-L549 WeakPolarHBondContact O-CG 3.46Å; H545-L549 PolarHBondContact O-N 3.02Å
546L78.9Confident70.1Confident91 Ų91100.4 Ų100.448%0.47654%0.538SS..Hα-helixtrans-60-39.6173.6-69.3170.6000111.5L542 M548 L549 A550L542-L546 HydrophobicContact CD2-CD1 4.23Å; L542-L546 HydrophobicContact CG-CD1 4.03Å; L542-L546 HydrophobicContact CG-CG 4.45Å; L542-L546 WeakPolarHBondContact O-CG 3.17Å; L542-L546 PolarHBondContact O-N 3.2Å; L546-M548 VanDerWaalsContact C-N 3.34Å; L546-M548 PolarHBondContact O-N 3.14Å; L546-L549 PolarHBondContact O-N 3.25Å; L546-A550 WeakPolarHBondContact O-CB 3.48Å; L546-A550 PolarHBondContact O-N 2.94Å
547T79.8Confident67.9Low73 Ų73104.3 Ų104.345%0.44855%0.551SS.*Hα-helixtrans-66-33.3174.8-56.40000112.6N543 R544 H545 R551N543-T547 WeakPolarHBondContact O-CB 3.47Å; N543-T547 PolarHBondContact O-N 3.42Å; N543-T547 PolarHBondContact O-OG1 2.93Å; R544-T547 WeakPolarHBondContact O-CB 3.23Å; R544-T547 PolarHBondContact O-N 2.91Å; H545-T547 VanDerWaalsContact C-N 3.29Å; H545-T547 PolarHBondContact O-N 2.73Å; T547-R551 VanDerWaalsContact O-CG 3.26Å; T547-R551 WeakPolarHBondContact O-CG 3.29Å; T547-R551 PolarHBondContact O-N 2.76Å
548M72.4Confident65.5Low107 Ų107103.7 Ų103.753%0.52756%0.561SS.*Hα-helixtrans-71.7-43.8173.1-64.6-149.9-53.500111.8R544 H545 L546 A550 R551 N552R544-M548 WeakPolarHBondContact O-CG 3.37Å; R544-M548 PolarHBondContact O-N 3.26Å; H545-M548 PolarHBondContact O-N 2.91Å; H545-M548 VanDerWaalsContact O-N 3.12Å; L546-M548 VanDerWaalsContact C-N 3.34Å; L546-M548 PolarHBondContact O-N 3.14Å; M548-A550 PolarHBondContact O-N 3.02Å; M548-R551 PolarHBondContact O-N 2.66Å; M548-N552 PolarHBondContact O-N 2.98Å; M548-N552 PolarHBondContact O-OD1 3.2Å
549L72.8Confident63.3Low100 Ų100107.2 Ų107.252%0.52458%0.582SS.*Hα-helixtrans-59.9-45.4176.4-68.6170.9000111.2H545 L546 R551 N552 S553H545-L549 WeakPolarHBondContact O-CG 3.46Å; H545-L549 PolarHBondContact O-N 3.02Å; L546-L549 PolarHBondContact O-N 3.25Å; L549-R551 PolarHBondContact O-N 3.41Å; L549-N552 PolarHBondContact O-N 2.92Å; L549-N552 VanDerWaalsContact O-N 3.16Å; L549-S553 WeakPolarHBondContact O-CB 3.45Å; L549-S553 PolarHBondContact O-N 3.47Å; L549-S553 PolarHBondContact O-OG 3.46Å
550A71.3Confident61.1Low67 Ų67108.7 Ų108.755%0.55460%0.597SS**Hα-helixtrans-67.4-15.1175.400000114.7L546 M548 S553L546-A550 WeakPolarHBondContact O-CB 3.48Å; L546-A550 PolarHBondContact O-N 2.94Å; M548-A550 PolarHBondContact O-N 3.02Å; A550-S553 WeakPolarHBondContact CA-OG 3.16Å
551R64.6Low58.7Low178 Ų178110.5 Ų110.567%0.67261%0.609SS**Hα-helixtrans-88.6-33.5170.7-78.2173.5176.4-167.1-2.1112.3T547 M548 L549T547-R551 VanDerWaalsContact O-CG 3.26Å; T547-R551 WeakPolarHBondContact O-CG 3.29Å; T547-R551 PolarHBondContact O-N 2.76Å; M548-R551 PolarHBondContact O-N 2.66Å; L549-R551 PolarHBondContact O-N 3.41Å
552N52.5Low56.5Low136 Ų136115.1 Ų115.173%0.72762%0.62SS**Hα-helixtrans-79.2-24.6177.2-68.26.2000112.3M548 L549 R554M548-N552 PolarHBondContact O-N 2.98Å; M548-N552 PolarHBondContact O-OD1 3.2Å; L549-N552 PolarHBondContact O-N 2.92Å; L549-N552 VanDerWaalsContact O-N 3.16Å; N552-R554 PolarHBondContact O-N 2.99Å
553S44.9Very low53.9Low89 Ų89123 Ų12362%0.62265%0.648SS**  trans-79.633.4175.671.70000113.9L549 A550L549-S553 WeakPolarHBondContact O-CB 3.45Å; L549-S553 PolarHBondContact O-N 3.47Å; L549-S553 PolarHBondContact O-OG 3.46Å; A550-S553 WeakPolarHBondContact CA-OG 3.16Å
554R39.7Very low51.4Low202 Ų202126.7 Ų126.776%0.76266%0.663SS**  trans-84.8134.9169.2-75.3-176.8168.6-151.2-6.2108.8N552 A556N552-R554 PolarHBondContact O-N 2.99Å; R554-A556 PolarHBondContact O-N 3.1Å
555P37.5Very low48.9Very low105 Ų105125.2 Ų125.268%0.68267%0.671SS**  trans-61.5139.4174.527.4-33.8000109.8D557P555-D557 VanDerWaalsContact C-N 3.35Å; P555-D557 PolarHBondContact O-N 2.87Å; P555-D557 VanDerWaalsContact O-N 3.12Å
556A34.4Very low46.5Very low103 Ų103125.6 Ų125.685%0.85168%0.681SS**  trans-80.786.317100000108.6R554 S558R554-A556 PolarHBondContact O-N 3.1Å; A556-S558 PolarHBondContact O-N 3.12Å
557D37.9Very low44.3Very low139 Ų139130.2 Ų130.274%0.74370%0.697SS**  trans-55.3127.9175.2-70.9-39.2000110.1P555 V559P555-D557 VanDerWaalsContact C-N 3.35Å; P555-D557 PolarHBondContact O-N 2.87Å; P555-D557 VanDerWaalsContact O-N 3.12Å; D557-V559 PolarHBondContact O-N 2.64Å
558S33.6Very low42Very low112 Ų112132.7 Ų132.778%0.78371%0.708SS**  trans-75113.3-16747.10000111.7A556 S560A556-S558 PolarHBondContact O-N 3.12Å; S558-S560 PolarHBondContact O-N 3.44Å
559V37.2Very low40.1Very low141 Ų141136.8 Ų136.886%0.85572%0.719SS**  trans-69.583.7171.8-177.90000109D557 L561D557-V559 PolarHBondContact O-N 2.64Å; V559-L561 PolarHBondContact O-N 3.37Å
560S32.1Very low38.2Very low86 Ų86139.2 Ų139.260%0.60173%0.733SS**  trans-67.6100.9177.8-174.20000109.7S558 K562S558-S560 PolarHBondContact O-N 3.44Å; S560-K562 PolarHBondContact O-N 2.91Å
561L33.1Very low36.5Very low147 Ų147140 Ų14077%0.7775%0.748SS**  trans-76.472.1179.1-144170.4000109.8V559 Y563V559-L561 PolarHBondContact O-N 3.37Å; L561-Y563 PolarHBondContact O-N 3.46Å
562K34.1Very low35Very low146 Ų146136.1 Ų136.164%0.63575%0.753SS**  trans-65.1104179.7-74.7-175.4177178.60111S560 Q564S560-K562 PolarHBondContact O-N 2.91Å; K562-Q564 HydrophobicContact CB-CG 4.49Å; K562-Q564 PolarHBondContact O-N 3.26Å
563Y29.4Very low34.2Very low209 Ų209135.4 Ų135.482%0.8276%0.756SS**  trans-6589150.4-90.5-92.2000109L561L561-Y563 PolarHBondContact O-N 3.46Å
564Q32.1Very low33.5Very low163 Ų163135.6 Ų135.676%0.76276%0.757SS**  trans-97.278.1165.5-91.6-170.4-31.800110.4K562 T566K562-Q564 HydrophobicContact CB-CG 4.49Å; K562-Q564 PolarHBondContact O-N 3.26Å; Q564-T566 PolarHBondContact O-N 2.94Å
565T29.2Very low33.1Very low119 Ų119137 Ų13773%0.7376%0.762SS**  trans-72.7113.1161.1-510000108.6
566T29.5Very low32.7Very low125 Ų125136 Ų13677%0.76776%0.764SS**  trans179.9116.1147.517.40000110.9Q564Q564-T566 PolarHBondContact O-N 2.94Å
567K31.6Very low33.1Very low187 Ų187136.8 Ų136.881%0.81376%0.76SS**  -178.9137.7115-101.7172.1-176.41800114.2
568N31.5Very low32.5Very low126 Ų126140.3 Ų140.367%0.67477%0.769SS**  trans84.3146.8153.8-53.2-7.1000120
569Y33.3Very low32.2Very low192 Ų192139 Ų13975%0.75377%0.765SS**  trans7787.1168.7-61.3-68.4000119.5
570D33.3Very low31.7Very low152 Ų152137 Ų13781%0.81376%0.763SS**  58.1128.5121.3-53.1-6.5000120.9
571G35.7Very low31.3Very low84 Ų84140.6 Ų140.687%0.86677%0.771SS**  trans145.865.7169.800000115.1
572A31.4Very low31Very low95 Ų95141.1 Ų141.179%0.78577%0.767SS**  trans-95.2171.8169.400000110.5
573P36.6Very low30.6Very low121 Ų121140.6 Ų140.679%0.78677%0.77SS**  cis-137.8-165.9-0.239.5-19.7000114.8
574S31Very low30.4Very low93 Ų93141.2 Ų141.265%0.6577%0.771SS**  trans83.7108.8138.8-174.70000121.4
575R31Very low30.4Very low231 Ų231137.9 Ų137.987%0.87277%0.771SS**  47.9149.1129.2-65.4173.2159.8171.4-7.7120.3
576A29.6Very low30.7Very low86 Ų86136.8 Ų136.871%0.71177%0.766SS**  cis-173.9160.7-14.300000106.2
577P41.9Very low30.5Very low119 Ų119139.5 Ų139.577%0.77377%0.768SS**  trans-90.8149.8-164.535.2-35.5000114.5
578F26.4Very low30.3Very low212 Ų212136 Ų13693%0.9376%0.762SS**  trans-154.2164.2161.1-107.7-76.1000111.7
579A25.7Very low30.2Very low84 Ų84136 Ų13669%0.69476%0.761SS**  trans20.4117.6165.700000118.7
580A26.9Very low30.2Very low99 Ų99132.5 Ų132.582%0.81876%0.762SS**  69.11395700000115.1
581E25.1Very low29.9Very low163 Ų163131.1 Ų131.176%0.76275%0.753SS**  trans80.4153.5164-132.2169.9-157.600119.6
582F25.4Very low29.8Very low157 Ų157134.7 Ų134.769%0.68975%0.752SS**  trans63.2112.9166.1-65.9-63.3000122.8
583L26.1Very low29.8Very low135 Ų135141 Ų14171%0.70776%0.756SS**  88.6105.6127.3-64.2170.3000122.7
584R25.2Very low29.9Very low222 Ų222140.2 Ų140.284%0.83875%0.751SS**  72.463.6104.7-158.9-166.7-177.4112.5-2.9119.6
585A32.1Very low29.7Very low93 Ų93140.8 Ų140.877%0.76976%0.755SS**  trans58.8-163.9147.700000114.9
586P36Very low29.7Very low96 Ų96134.5 Ų134.562%0.62375%0.746SS**  cis-116-152.8-27.729.9-9.7000111.6
587F25.9Very low29.5Very low183 Ų183134.8 Ų134.880%0.80374%0.743SS**  trans82.3154.6169.6-52.9-68.5000118.9
588V26.3Very low29.3Very low112 Ų112134.6 Ų134.668%0.67975%0.745SS**  cis179.4118.3-48.6134.60000109.1
589L30.5Very low29.3Very low126 Ų126129.1 Ų129.166%0.6673%0.733SS**  trans58.6172.8157.5-54.5175.1000115.6I591L589-I591 HydrophobicContact CB-CG1 4.26Å; L589-I591 HydrophobicContact CD1-CD1 3.88Å; L589-I591 HydrophobicContact CD1-CG1 4.09Å; L589-I591 HydrophobicContact CD2-CG1 4.24Å; L589-I591 HydrophobicContact CG-CG1 4.42Å
590P32.4Very low29.8Very low120 Ų120133.3 Ų133.378%0.77974%0.738SS**  cis-77.2159.615.1-12.232000113.6
591I26.6Very low30.4Very low123 Ų123134.7 Ų134.763%0.63173%0.731SS**  cis61.4100.336.7-56.2178.7000113.6L589L589-I591 HydrophobicContact CB-CG1 4.26Å; L589-I591 HydrophobicContact CD1-CD1 3.88Å; L589-I591 HydrophobicContact CD1-CG1 4.09Å; L589-I591 HydrophobicContact CD2-CG1 4.24Å; L589-I591 HydrophobicContact CG-CG1 4.42Å
592D33.2Very low30.7Very low158 Ų158134 Ų13485%0.84573%0.732SS**  -151.8145.8125.4-127.6-32.6000112.1
593R32Very low31Very low227 Ų227130.9 Ų130.986%0.85773%0.729SS**  trans-159.497.2-171.1-172.1-167-170-172.36.4114.2
594P39.7Very low31.2Very low106 Ų106134.7 Ų134.769%0.68873%0.734SS**  trans-73.9142.3145.8-10.229000108.7
595S26.9Very low31.3Very low105 Ų105129.9 Ų129.973%0.73473%0.733SS**  cis66.9135.73298.90000112.3
596S29.5Very low31.1Very low98 Ų98129.4 Ų129.469%0.68573%0.729SS**  cis-155.1164.33.154.20000112.6
597S26.6Very low30.8Very low92 Ų92129.9 Ų129.964%0.64374%0.735SS**  trans34.4107.914759.90000120.2
598S36.4Very low31Very low116 Ų116127.5 Ų127.581%0.81174%0.735SS**  -158.7116.5100.7-79.50000107.6
599S27.3Very low31.1Very low96 Ų96126.8 Ų126.867%0.67174%0.736SS**  cis62.198.843.985.10000113.4
600E35.7Very low31.3Very low173 Ų173126.1 Ų126.181%0.80874%0.739SS**  trans153.6124.3155.6-81.6-126.4144.700107.9
601L39.9Very low31Very low128 Ų128125.7 Ų125.767%0.6773%0.734SS**  cis-138.3156.1-9.5-83.4172.2000110.9
602L32.2Very low31Very low149 Ų149124.2 Ų124.278%0.7872%0.724SS**  trans1.4147.7143.5-78.463.1000117.2
603S30.3Very low30.7Very low90 Ų90123 Ų12363%0.62971%0.712SS**  cis179.9170.213.9-104.20000106.9
604R31.4Very low30.3Very low216 Ų216114.4 Ų114.482%0.81568%0.684SS**  cis-156.71460.4-117.5154.6150-169.6-7.9104.3
605C26.1Very low29.8Very low120 Ų120116.8 Ų116.881%0.81168%0.681SS**  42.3130.988.7-44.50000114.2
606A29.2Very low30.1Very low84 Ų84119 Ų11969%0.69468%0.684SS**  cis-166.3-168.3-500000108.7
607S28.4Very low30.1Very low105 Ų105118.9 Ų118.973%0.73468%0.68SS**  trans10.5119.6145.258.30000118.7
608T31.2Very low30Very low133 Ų133122.3 Ų122.382%0.81669%0.69SS**  -162.5130.7121.3-75.80000108.9
609S27.3Very low29.5Very low98 Ų98121.5 Ų121.569%0.68569%0.685SS**  trans-94.6128.2169.654.40000111.3
610P35.2Very low29.9Very low111 Ų111123.1 Ų123.172%0.72169%0.693SS**  trans-103.3133.3139.932.2-25.3000108.3
611V26.4Very low29.5Very low112 Ų112120 Ų12068%0.67969%0.686SS**  cis61.483.728-165.30000112.6
612Q25.8Very low29Very low92 Ų92120.4 Ų120.443%0.4369%0.689SS.*  trans59.1149.4162.2-51.8-165-72.900118.8
613F26.8Very low28.8Very low133 Ų133120.4 Ų120.458%0.58369%0.69SS**BIsolated β-bridge-177.9123.8123.8-120.5-74.1000110.7L123 V124 Y615L123-F613 CarbonylContact C-O 3.27Å; L123-F613 VanDerWaalsContact C-O 3.27Å; L123-F613 WeakPolarHBondContact CB-O 3.43Å; V124-F613 VanDerWaalsContact N-C 3.3Å; V124-F613 PolarHBondContact N-O 3.05Å; V124-F613 CarbonylContact O-C 3.1Å; V124-F613 PolarHBondContact O-N 3.43Å; F613-Y615 HydrophobicContact CD1-CD2 4.15Å; F613-Y615 AromaticContact CD1-CE2 3.64Å; F613-Y615 HydrophobicContact CD1-CE2 3.64Å; F613-Y615 AromaticContact CE1-CE2 3.8Å; F613-Y615 HydrophobicContact CE1-CE2 3.8Å
614T24.6Very low28.7Very low46 Ų46120.9 Ų120.928%0.28269%0.693SS.*  trans-79.7129.5166.1-13.50000109.1V124 Q125V124-T614 PolarHBondContact O-N 3.39Å; Q125-T614 WeakPolarHBondContact CA-OG1 3.48Å; Q125-T614 PolarHBondContact N-OG1 2.82Å; Q125-T614 PolarHBondContact O-OG1 2.92Å
615Y28.4Very low28.5Very low155 Ų155115.2 Ų115.261%0.60869%0.687SS**  trans-136.6110.7136.4-80.6-68.6000111.1F613F613-Y615 HydrophobicContact CD1-CD2 4.15Å; F613-Y615 AromaticContact CD1-CE2 3.64Å; F613-Y615 HydrophobicContact CD1-CE2 3.64Å; F613-Y615 AromaticContact CE1-CE2 3.8Å; F613-Y615 HydrophobicContact CE1-CE2 3.8Å
616L33.7Very low28.6Very low153 Ų153118.7 Ų118.780%0.80169%0.688SS**  trans-70.7128.6130.4-81.5163.3000107
617P28.4Very low28.6Very low94 Ų94121 Ų12161%0.6169%0.694SS**  trans-109122138.2-727.5000107.9
618L26Very low28.9Very low164 Ų164122.2 Ų122.286%0.85970%0.699SS**  69.1113.179.2-68.8170.5000112.6
619S25.4Very low28.9Very low99 Ų99119.1 Ų119.169%0.69269%0.694SS**  trans-63.7151.6170.7-39.90000111.7T621S619-T621 PolarHBondContact O-N 3.21Å
620P36.3Very low29.2Very low130 Ų130119.9 Ų119.984%0.84469%0.694SS**  trans-67.4116.8145.430.6-29.4000108.2
621T27.4Very low28.8Very low109 Ų109124.5 Ų124.567%0.66970%0.697SS**  trans-82.3-178.7160.754.90000109.9S619S619-T621 PolarHBondContact O-N 3.21Å
622N28.2Very low29Very low135 Ų135127.2 Ų127.272%0.72270%0.7SS**  trans78.5121.7-179.3-403.9000110.9
623D27.8Very low29.1Very low150 Ų150126.3 Ų126.380%0.80272%0.715SS**  cis-153.4156.81.2-83.2-43.2000107.5
624S27.8Very low29.2Very low99 Ų99124.9 Ų124.969%0.69273%0.728SS**  cis-161.1153.60.346.90000111.9
625S27.9Very low29.4Very low98 Ų98129.3 Ų129.369%0.68576%0.755SS**  trans68.9152158.376.60000121.1
626F28.7Very low29.5Very low193 Ų193129.3 Ų129.385%0.84676%0.764SS**  trans57.889.2178.7-74.3-86.3000116.7
627V29Very low29.3Very low133 Ų133125.8 Ų125.881%0.80676%0.757SS**  cis76.9128.940.1-171.80000113.2
628P33.6Very low29.2Very low129 Ų129129.3 Ų129.384%0.83877%0.765SS**  trans-134.9177.3-138.443.3-26.5000117.4
629G31.9Very low29.3Very low69 Ų69127.2 Ų127.271%0.71175%0.754SS**  trans150.4162.8157.100000114.5
630V32.9Very low29.5Very low113 Ų113133 Ų13369%0.68576%0.762SS**  cis-164.9125.9-35.9118.60000108.4
631W28.6Very low29.4Very low208 Ų208131.8 Ų131.879%0.78875%0.747SS**  trans67.9125.1156.3-71.841000122.7
632K29.9Very low29.6Very low170 Ų170136 Ų13674%0.73976%0.756SS**  trans58133.1143.2-61.6-177179.9-178.60120.9
633G27Very low30Very low72 Ų72136.5 Ų136.574%0.74276%0.759SS**  trans142.553.3153.300000119.4
634A30Very low30.5Very low104 Ų104134 Ų13486%0.8675%0.751SS**  trans55.9123.5168.700000118.4
635T29Very low30.8Very low138 Ų138136.5 Ų136.585%0.84776%0.756SS**  trans-155153.2178.2-32.20000112.2
636I29.9Very low31.2Very low155 Ų155139 Ų13980%0.79576%0.757SS**  trans-130.1143.2-175.5-76.5173.8000110.8
637A28.6Very low31.5Very low80 Ų80137.3 Ų137.366%0.66175%0.753SS**  trans68.8174.1160.300000120.2
638H28.1Very low31.9Very low168 Ų168136 Ų13678%0.77875%0.746SS**  trans77.1139.2-177.9-61.9-84.3000115.5
639L28Very low32Very low119 Ų119136.3 Ų136.362%0.62374%0.74SS**  cis-158.7151.33.1-118.2160.4000111.3I641L639-I641 HydrophobicContact CD2-CD1 4.05Å; L639-I641 HydrophobicContact CD2-CG1 3.59Å
640Y28.9Very low32.1Very low222 Ų222138.5 Ų138.587%0.87175%0.745SS**  trans171.781.6142.6-102.7-73.5000109.4
641I33.3Very low32.6Very low104 Ų104138.7 Ų138.753%0.53375%0.748SS.*  91.7103.980-74163.6000114.7L639L639-I641 HydrophobicContact CD2-CD1 4.05Å; L639-I641 HydrophobicContact CD2-CG1 3.59Å
642K32Very low32.9Very low196 Ų196135.7 Ų135.785%0.85275%0.752SS**  -17996.2126.1-100.8168.2-177175.20114.2
643N36.3Very low33.1Very low147 Ų147131.2 Ų131.279%0.78675%0.754SS**  33.9155.6123.1-718.3000123.1
644P39.8Very low33.4Very low98 Ų98134.4 Ų134.464%0.63676%0.76SS**  cis-151.9-171.1-34.144.8-26.7000115.8
645L32.6Very low33.8Very low151 Ų151135.7 Ų135.779%0.79176%0.759SS**  trans71146.8151.9-73.8177.2000118.6
646E37Very low34.2Very low150 Ų150132.6 Ų132.670%0.70176%0.755SS**  cis-141.51526.6-65.7-165.5134.700113.9
647M35.1Very low34.4Very low157 Ų157133 Ų13377%0.77376%0.758SS**  trans51.5147.2133.7-63.9174.666.200122.7
648V38.2Very low34.8Very low107 Ų107135.1 Ų135.165%0.64877%0.768SS**  cis-159.8139.8-4.5114.30000114.1
649N34.8Very low35.2Very low135 Ų135134.7 Ų134.772%0.72277%0.772SS**  trans33.5112149.6-55.1-17.9000125.5
650S35Very low35.3Very low115 Ų115134.3 Ų134.380%0.80478%0.779SS**  71.4155.7105.4-65.10000124.5
651P42.8Very low35.6Very low116 Ų116129.4 Ų129.475%0.75377%0.774SS**  trans-141.5-146-142.144.6-22.9000116
652V33.8Very low35.5Very low146 Ų146129.4 Ų129.489%0.88578%0.784SS**  trans104.3129.1164.6-175.10000116.5
653G34.8Very low35.5Very low75 Ų75128.8 Ų128.877%0.77378%0.781SS**  trans161.282.3169.700000116.6
654T34.3Very low35.2Very low140 Ų140131.7 Ų131.786%0.85979%0.787SS**  trans-104.6174.5159.149.30000108.8
655P38.1Very low34.8Very low131 Ų131130.8 Ų130.885%0.85180%0.795SS**  cis-134.2-159.19.444.4-25.8000113.9
656G36.8Very low34.9Very low73 Ų73127 Ų12775%0.75379%0.793SS**  trans151.7116.5157.800000116.1
657D33.8Very low34.9Very low163 Ų163125.1 Ų125.187%0.87280%0.796SS**  trans-82.2148.5178.4-49.5-93.5000113.9
658S37.5Very low34.9Very low125 Ų125125 Ų12587%0.87480%0.798SS**  trans-175.9160140.730.40000112.5
659N35.3Very low34.8Very low159 Ų159128.3 Ų128.385%0.8580%0.804SS**  trans-83.6155.9-169.9-72.8-71.5000114.7
660S30.9Very low34.7Very low110 Ų110128.4 Ų128.477%0.76981%0.809SS**  trans-3.8141148.2-64.40000118
661P36Very low34.8Very low119 Ų119128.5 Ų128.577%0.77381%0.807SS**  -151.2155.553.340.1-20.3000119.9
662S30.6Very low34.1Very low105 Ų105128.8 Ų128.873%0.73481%0.806SS**  trans37.5133.2137.6-141.40000123.4
663K32Very low34Very low183 Ų183132.5 Ų132.580%0.79681%0.806SS**  trans85.3114.6154.5-70.8169-177.9169.10121.3
664K31Very low33.9Very low208 Ų208136.2 Ų136.290%0.90480%0.801SS**  trans70.4129.8138.4-65.4-176.1174.6-172.20121
665G31.3Very low33.7Very low79 Ų79135.6 Ų135.681%0.81479%0.788SS**  trans162.3135.2146.100000115.8
666G34.1Very low33.4Very low72 Ų72137 Ų13774%0.74278%0.784SS**  trans84.690.5167.500000115.7
667S37.1Very low33Very low110 Ų110140.2 Ų140.277%0.76978%0.784SS**  cis87.8116.631.7-52.70000115.5
668N34.3Very low32.7Very low153 Ų153142.7 Ų142.782%0.81878%0.781SS**  trans163.1123.8153.9-91.1-40.3000108.1
669K35.8Very low32.5Very low178 Ų178143.6 Ų143.677%0.77478%0.775SS**  cis-145.1132.40.7-76.8169.9-176.3173.90106.7
670V34.3Very low32.3Very low137 Ų137144.3 Ų144.383%0.8377%0.773SS**  67134.581174.30000113.2
671P36Very low32.5Very low117 Ų117144 Ų14476%0.7677%0.768SS**  cis-123.8-175.38.941.5-26.9000116.2
672V28.3Very low32.2Very low121 Ų121144.9 Ų144.973%0.73377%0.771SS**  trans-130132.9174.1169.30000110.4
673Y31.7Very low32Very low224 Ų224145.9 Ų145.988%0.87877%0.773SS**  trans-145.3113.2146.8-86-83.1000108.3
674K32.3Very low32.1Very low154 Ų154140.6 Ų140.667%0.6777%0.77SS**  78.7109.465.9-113.7-165.6174.3-142.70115.5
675Q30Very low32Very low126 Ų126139.4 Ų139.459%0.58977%0.768SS**  trans66.3136.9142.2-74176.4-81.300120.9
676Q32.2Very low32.1Very low162 Ų162140.7 Ų140.776%0.75776%0.764SS**  trans70.1150.4144.7-73.5168-30.700117.7
677N28.8Very low31.9Very low140 Ų140144.2 Ų144.275%0.74977%0.771SS**  cis-172.6147.6-28.5-148-0.1000107.1
678R27.5Very low31.8Very low215 Ų215142.9 Ų142.981%0.81178%0.775SS**  trans71160.6149.4-151.3-174.2-168.7172.43.8118.5
679L34Very low31.7Very low144 Ų144140.6 Ų140.675%0.75477%0.771SS**  trans75.289.8171.5-50.8179.5000113.9
680E29.3Very low31.5Very low174 Ų174139 Ų13981%0.81378%0.776SS**  94.1144.155.4-73.9-67.4118.200113.4
681P35.2Very low31.5Very low102 Ų102135.9 Ų135.966%0.66277%0.771SS**  trans-108.1140.3-163.639-31.1000115.7
682V31.3Very low31.4Very low139 Ų139134.4 Ų134.484%0.84276%0.764SS**  trans-149109.5170.1179.60000106.7
683V26.5Very low31.6Very low126 Ų126135.6 Ų135.676%0.76476%0.755SS**  63.995.668.4-175.40000113.8
684G33.9Very low31.8Very low71 Ų71131 Ų13173%0.73275%0.746SS**  trans-178.499.517100000110.4
685Q28.7Very low32Very low184 Ų184135.7 Ų135.786%0.8676%0.759SS**  69.490.870.9-65.2-169.317.200115.4
686S32.8Very low32.2Very low105 Ų105133.5 Ų133.573%0.73477%0.77SS**  trans175.4108.6134.4510000109
687T30Very low32.3Very low146 Ų146129.2 Ų129.290%0.89677%0.77SS**  64.711472.864.20000114.6
688G35.1Very low32.6Very low83 Ų83128.4 Ų128.486%0.85678%0.775SS**  trans140.3104.4177.600000114.9
689S32.4Very low33Very low104 Ų104123.1 Ų123.173%0.72777%0.771SS**  cis159.2119.8-21.5176.50000106.7
690V31.4Very low33.1Very low146 Ų146121.6 Ų121.689%0.88577%0.77SS**  trans58.5126.6155.4-179.60000119.9
691G33.3Very low33.2Very low70 Ų70123.8 Ų123.872%0.72277%0.772SS**  trans176.750.7170.100000118.8
692S33.8Very low32.8Very low87 Ų87125.1 Ų125.161%0.60877%0.774SS**  trans-67.8146.9-178.2-44.20000114.9G1498S692-G1498 CarbonylContact O-C 3.46Å; S692-G1498 VanDerWaalsContact O-C 3.3Å; S692-G1498 WeakPolarHBondContact O-CA 3.21Å
693R33.9Very low32.7Very low146 Ų146126.6 Ų126.655%0.55177%0.77SS**  trans-162.1139.2134-134.6-168-159.7120.3-13.3114.8G1498 N1499R693-G1498 VanDerWaalsContact CZ-N 3.31Å; R693-G1498 VanDerWaalsContact NH1-N 3.1Å; R693-N1499 VanDerWaalsContact CD-N 3.32Å
694D34.8Very low32.9Very low127 Ų127126.9 Ų126.968%0.67977%0.767SS**  trans-80.9146.6-178.8-35.9-98.7000113.1
695R37.8Very low32.6Very low252 Ų252130.9 Ų130.995%0.95177%0.766SS**  -150140.1124.4-59.8-167.3-171.9-171.52.2108.1
696G33Very low32.8Very low80 Ų80131.9 Ų131.983%0.82576%0.764SS**  cis13795.2-6.300000112.5
697G34.5Very low32.7Very low73 Ų73133.6 Ų133.675%0.75376%0.764SS**  trans124.2137.3168.200000114.4
698S34.6Very low32.7Very low123 Ų123135.6 Ų135.686%0.8676%0.761SS**  cis-166.8134-17.329.30000110.2
699S37.4Very low32.5Very low103 Ų103138.7 Ų138.772%0.7275%0.754SS**  trans-83.8169.6172.4175.50000111.3Y701S699-Y701 PolarHBondContact OG-N 2.78Å
700P34.9Very low32.6Very low113 Ų113139.7 Ų139.773%0.73476%0.755SS**  trans-124.5115.3132.35.116.2000113.8
701Y30.9Very low32.7Very low219 Ų219139.3 Ų139.386%0.85975%0.753SS**  trans61.4114.1146.9-59.7-74.9000122S699S699-Y701 PolarHBondContact OG-N 2.78Å
702N28.4Very low32.9Very low130 Ų130144.9 Ų144.970%0.69576%0.758SS**  trans-117-168.1149.7-172.36.6000106.8
703F28.4Very low33Very low171 Ų171146.5 Ų146.575%0.7577%0.766SS**  trans77141.1175.2-65.2-97.1000116
704N31.1Very low32.8Very low132 Ų132146.4 Ų146.471%0.70678%0.777SS**  cis-158.5170.3-20.8-132.641.1000111.5
705E28.2Very low32.7Very low155 Ų155145 Ų14572%0.72478%0.776SS**  trans-75.1134.7159.8-178.5172.1-157.500110.8
706Y32.2Very low32.5Very low204 Ų204138.2 Ų138.280%0.877%0.768SS**  trans153.8146.5143.7-95.5-72.7000113.4
707D29.7Very low32.4Very low141 Ų141138.1 Ų138.175%0.75476%0.755SS**  trans-77.1148.5-176.8-49.8-91.8000114.5
708F31.4Very low32.3Very low188 Ų188143 Ų14383%0.82576%0.756SS**  -164.2173.8103.3-129-100000113.8
709E30.1Very low32.2Very low149 Ų149144.5 Ų144.570%0.69675%0.753SS**  trans-75.1152.3-169.5-51.3174.2117.700115
710T35.5Very low32Very low125 Ų125144.6 Ų144.677%0.76775%0.749SS**  179.3123.7109.128.20000115.9
711T33.8Very low31.9Very low137 Ų137146 Ų14684%0.8475%0.75SS**  trans53.3138.9143.656.50000124.5
712K36.4Very low32Very low187 Ų187142.8 Ų142.881%0.81375%0.748SS**  trans-99.7163.7168-57175.7-179.1176.60112.2
713P36.2Very low32.3Very low121 Ų121141.2 Ų141.279%0.78675%0.748SS**  -120.9155.3112.9-324.5000111.5
714N30.3Very low32.7Very low144 Ų144140 Ų14077%0.7775%0.749SS**  cis69.5135.847.1-68.6-5.4000113.6
715S32.8Very low33Very low97 Ų97141.1 Ų141.168%0.67876%0.755SS**  cis-176.2169-243.80000112.5
716S32.6Very low33.2Very low110 Ų110137.1 Ų137.177%0.76976%0.755SS**  trans75.4155.5152.782.90000118.3
717S31.8Very low33.1Very low79 Ų79132.2 Ų132.255%0.55276%0.757SS**  cis-171.3178.1-10.335.40000113.2
718F31.1Very low33.1Very low175 Ų175131.4 Ų131.477%0.76876%0.757SS**  trans87.7105.9166.9-53.8-75.3000117.7
719L32.8Very low33.1Very low154 Ų154128.5 Ų128.581%0.80676%0.755SS**  85.5144.384.9-71.8-164.3000113.2
720V32.6Very low33.2Very low106 Ų106129.4 Ų129.464%0.64276%0.763SS**  cis-151.6149.710.694.80000111.9
721N33.2Very low33.2Very low141 Ų141128.2 Ų128.275%0.75476%0.76SS**  trans43.3155157.1-58.8-4.9000122
722N34Very low33.4Very low152 Ų152127.6 Ų127.681%0.81376%0.758SS**  cis-141.2162.48.9-152.92.8000112.5
723S34.3Very low33.2Very low98 Ų98124.1 Ų124.169%0.68576%0.758SS**  trans-117.3163.4-163.6-58.20000114.7
724N36.3Very low33Very low145 Ų145122.6 Ų122.678%0.77575%0.75SS**  trans-161.3109.5137.4-108.8-28.6000114.3
725N37.7Very low33.2Very low156 Ų156125 Ų12583%0.83475%0.753SS**  trans52.9144.2143.9-55.9-19.9000122.7
726G32.4Very low33.4Very low71 Ų71127.8 Ų127.873%0.73276%0.76SS**  trans-171.4-177.1172.600000113.1
727A30.5Very low33.8Very low100 Ų100125.1 Ų125.183%0.82674%0.741SS**  trans66.8152.5-176.100000114.8
728T29.1Very low34.3Very low124 Ų124123.3 Ų123.376%0.76174%0.735SS**  cis-142.1138.96.5-46.30000110.3
729V31.7Very low34.9Very low128 Ų128120 Ų12078%0.77673%0.725SS**  trans-130.3122163.61780000109.3
730L31.3Very low35.8Very low168 Ų168121.3 Ų121.388%0.8872%0.72SS**  trans-78.9115.4172.3-71.8164.5000109.3
731S35.1Very low36.5Very low100 Ų100121.8 Ų121.870%0.69972%0.715SS**  trans-113.1129.3175.1-650000110.6S733S731-S733 PolarHBondContact O-N 3.43Å
732P38.1Very low37.5Very low123 Ų123121.5 Ų121.580%0.79971%0.709SS**  trans-73.1124.5-179.929.1-33.5000111.2S734P732-S734 PolarHBondContact O-N 3.34Å; P732-S734 VanDerWaalsContact O-N 3.12Å
733S32.6Very low38.6Very low115 Ų115121.8 Ų121.880%0.80470%0.698SS**  trans-76.198.9-178.5-173.10000112S731 K735S731-S733 PolarHBondContact O-N 3.43Å; S733-K735 PolarHBondContact O-N 3.01Å
734S32.2Very low40.2Very low88 Ų88122.1 Ų122.162%0.61569%0.692SS**  trans-81.9101.4179420000112.4P732P732-S734 PolarHBondContact O-N 3.34Å; P732-S734 VanDerWaalsContact O-N 3.12Å
735K35.6Very low41.7Very low194 Ų194119.2 Ų119.284%0.84368%0.676SS**SBendtrans-127.219165.6-72.9-167.2174.3-176.30114.3S733S733-K735 PolarHBondContact O-N 3.01Å
736L37Very low43.1Very low157 Ų157115.8 Ų115.882%0.82266%0.658SS**SBendtrans-130.116173.1-86.1165000112.1
737S40.7Very low45.1Very low53 Ų53116.1 Ų116.137%0.37164%0.642SS.*SBendtrans-96.3-17.3-178.9580000114.1R740 Q741S737-R740 PolarHBondContact O-N 3.22Å; S737-Q741 WeakPolarHBondContact O-CA 3.4Å; S737-Q741 WeakPolarHBondContact O-CB 3.32Å; S737-Q741 PolarHBondContact O-N 2.92Å
738G41.6Very low47Very low42 Ų42115.9 Ų115.943%0.43362%0.624SS.*Hα-helixtrans-58.6-70179.700000111.9R740 Q741 E742G738-R740 PolarHBondContact O-N 3.02Å; G738-Q741 PolarHBondContact O-N 2.67Å; G738-E742 PolarHBondContact O-N 3.44Å
739D44.5Very low49.1Very low104 Ų104113.4 Ų113.456%0.55661%0.609SS**Hα-helixtrans-59.9-15.2-179.5-37.612.6000113.9R743D739-R743 WeakPolarHBondContact O-CB 3.49Å; D739-R743 WeakPolarHBondContact O-CG 3.34Å; D739-R743 PolarHBondContact O-NE 3.18Å
740R50.4Low51.2Low183 Ų183112.4 Ų112.469%0.69159%0.594SS**Hα-helixtrans-96.8-34.2177.9-161.6175.5-172.4-174.31.5112S737 G738 L744S737-R740 PolarHBondContact O-N 3.22Å; G738-R740 PolarHBondContact O-N 3.02Å; R740-L744 HydrophobicContact CG-CD1 4.43Å; R740-L744 VanDerWaalsContact O-CB 3.29Å; R740-L744 WeakPolarHBondContact O-CB 3.35Å; R740-L744 WeakPolarHBondContact O-CD1 3.48Å; R740-L744 WeakPolarHBondContact O-CG 3.36Å; R740-L744 PolarHBondContact O-N 3.34Å
741Q47.8Very low53.1Low116 Ų116110.4 Ų110.454%0.54258%0.58SS.*Hα-helixtrans-71.1-42.7171.5-164.689.417.500109.9S737 G738 L744 I745S737-Q741 WeakPolarHBondContact O-CA 3.4Å; S737-Q741 WeakPolarHBondContact O-CB 3.32Å; S737-Q741 PolarHBondContact O-N 2.92Å; G738-Q741 PolarHBondContact O-N 2.67Å; Q741-L744 PolarHBondContact O-N 3.39Å; Q741-I745 HydrophobicContact CG-CD1 3.93Å; Q741-I745 WeakPolarHBondContact O-CB 3.34Å; Q741-I745 WeakPolarHBondContact O-CD1 3.24Å; Q741-I745 WeakPolarHBondContact O-CG1 3.42Å; Q741-I745 PolarHBondContact O-N 3.5Å
742E53.6Low54.9Low135 Ų135110.8 Ų110.863%0.63157%0.569SS**Hα-helixtrans-60.3-47.4172.7-78.9-173.2132.600111.3G738 L744 I745 D746G738-E742 PolarHBondContact O-N 3.44Å; E742-L744 PolarHBondContact O-N 2.88Å; E742-I745 PolarHBondContact O-N 3.44Å; E742-D746 WeakPolarHBondContact O-CB 3.3Å; E742-D746 PolarHBondContact O-N 3.49Å
743R58.5Low56.2Low157 Ų157109.3 Ų109.359%0.59255%0.554SS**Hα-helixtrans-62.2-38.7174.9-85.5-179.2-92.3-151-11.5113.5D739 D746 D747D739-R743 WeakPolarHBondContact O-CB 3.49Å; D739-R743 WeakPolarHBondContact O-CG 3.34Å; D739-R743 PolarHBondContact O-NE 3.18Å; R743-D746 PolarHBondContact O-N 3.08Å; R743-D747 VanDerWaalsContact O-CB 3.3Å; R743-D747 WeakPolarHBondContact O-CB 3.5Å; R743-D747 VanDerWaalsContact O-CG 3.28Å; R743-D747 PolarHBondContact O-N 2.87Å
744L66.7Low57.8Low105 Ų105108.8 Ų108.855%0.5554%0.542SS..Hα-helixtrans-67.2-36.2174.1-76.7167.1000112.3R740 Q741 E742 E748R740-L744 HydrophobicContact CG-CD1 4.43Å; R740-L744 VanDerWaalsContact O-CB 3.29Å; R740-L744 WeakPolarHBondContact O-CB 3.35Å; R740-L744 WeakPolarHBondContact O-CD1 3.48Å; R740-L744 WeakPolarHBondContact O-CG 3.36Å; R740-L744 PolarHBondContact O-N 3.34Å; Q741-L744 PolarHBondContact O-N 3.39Å; E742-L744 PolarHBondContact O-N 2.88Å; L744-E748 WeakPolarHBondContact O-CB 3.4Å; L744-E748 PolarHBondContact O-N 2.9Å
745I68.4Low59.4Low84 Ų84108.7 Ų108.743%0.43153%0.534SS..Hα-helixtrans-69.5-44174.8-71163.7000110.3Q741 E742 D747 E748 V749Q741-I745 HydrophobicContact CG-CD1 3.93Å; Q741-I745 WeakPolarHBondContact O-CB 3.34Å; Q741-I745 WeakPolarHBondContact O-CD1 3.24Å; Q741-I745 WeakPolarHBondContact O-CG1 3.42Å; Q741-I745 PolarHBondContact O-N 3.5Å; E742-I745 PolarHBondContact O-N 3.44Å; I745-D747 PolarHBondContact O-N 2.86Å; I745-E748 PolarHBondContact O-N 3.46Å; I745-V749 HydrophobicContact CG2-CG2 4.4Å; I745-V749 VanDerWaalsContact O-CB 3.29Å; I745-V749 WeakPolarHBondContact O-CB 3.39Å; I745-V749 WeakPolarHBondContact O-CG2 3.41Å; I745-V749 PolarHBondContact O-N 2.84Å
746D67.7Low60.5Low85 Ų85104.4 Ų104.446%0.45552%0.52SS..Hα-helixtrans-60.6-43.3174.1-87.7-22.3000111.7E742 R743 V749 K750E742-D746 WeakPolarHBondContact O-CB 3.3Å; E742-D746 PolarHBondContact O-N 3.49Å; R743-D746 PolarHBondContact O-N 3.08Å; D746-V749 PolarHBondContact O-N 3.41Å; D746-K750 WeakPolarHBondContact O-CB 3.46Å; D746-K750 WeakPolarHBondContact O-CE 3.44Å; D746-K750 WeakPolarHBondContact O-CG 3.48Å; D746-K750 PolarHBondContact O-N 2.88Å
747D72.9Confident61.1Low77 Ų7799.5 Ų99.541%0.41250%0.499SS..Hα-helixtrans-74.4-32.1178.9-70.3-20.8000112.2R743 I745 K750 Q751R743-D747 VanDerWaalsContact O-CB 3.3Å; R743-D747 WeakPolarHBondContact O-CB 3.5Å; R743-D747 VanDerWaalsContact O-CG 3.28Å; R743-D747 PolarHBondContact O-N 2.87Å; I745-D747 PolarHBondContact O-N 2.86Å; D747-K750 IonicContact OD1-NZ 3.32Å; D747-K750 PolarHBondContact OD1-NZ 3Å; D747-Q751 WeakPolarHBondContact O-CB 3.47Å; D747-Q751 WeakPolarHBondContact O-CG 3.21Å; D747-Q751 PolarHBondContact O-N 3.08Å
748E71Confident61.7Low95 Ų9599.8 Ų99.844%0.44450%0.498SS..Hα-helixtrans-70.3-36170.5-167.7-172.9174.600111.5L744 I745 Q751 K752L744-E748 WeakPolarHBondContact O-CB 3.4Å; L744-E748 PolarHBondContact O-N 2.9Å; I745-E748 PolarHBondContact O-N 3.46Å; E748-Q751 PolarHBondContact O-N 3.35Å; E748-K752 VanDerWaalsContact CD-NZ 3.25Å; E748-K752 HydrophobicContact CG-CD 4.28Å; E748-K752 WeakPolarHBondContact O-CB 3.47Å; E748-K752 VanDerWaalsContact O-CG 3.27Å; E748-K752 WeakPolarHBondContact O-CG 3.38Å; E748-K752 PolarHBondContact O-N 2.71Å; E748-K752 WeakPolarHBondContact OE1-CE 3.46Å; E748-K752 IonicContact OE1-NZ 3.96Å; E748-K752 PolarHBondContact OE1-NZ 2.5Å; E748-K752 IonicContact OE2-NZ 3Å
749V73.9Confident61.7Low73 Ų73104.4 Ų104.444%0.44251%0.512SS..Hα-helixtrans-67.8-42.8172.4166.40000110.5I745 D746 K752 L753I745-V749 HydrophobicContact CG2-CG2 4.4Å; I745-V749 VanDerWaalsContact O-CB 3.29Å; I745-V749 WeakPolarHBondContact O-CB 3.39Å; I745-V749 WeakPolarHBondContact O-CG2 3.41Å; I745-V749 PolarHBondContact O-N 2.84Å; D746-V749 PolarHBondContact O-N 3.41Å; V749-K752 PolarHBondContact O-N 2.98Å; V749-L753 HydrophobicContact CG1-CD1 4Å; V749-L753 WeakPolarHBondContact O-CB 3.49Å; V749-L753 VanDerWaalsContact O-CG 3.31Å; V749-L753 WeakPolarHBondContact O-CG 3.32Å; V749-L753 PolarHBondContact O-N 3.43Å
750K75.8Confident61.4Low106 Ų106103.6 Ų103.646%0.46151%0.505SS..Hα-helixtrans-60.3-45170.6-72165.5-145.9158.10111.4D746 D747 L753 L754D746-K750 WeakPolarHBondContact O-CB 3.46Å; D746-K750 WeakPolarHBondContact O-CE 3.44Å; D746-K750 WeakPolarHBondContact O-CG 3.48Å; D746-K750 PolarHBondContact O-N 2.88Å; D747-K750 IonicContact OD1-NZ 3.32Å; D747-K750 PolarHBondContact OD1-NZ 3Å; K750-L753 PolarHBondContact O-N 2.09Å; K750-L754 WeakPolarHBondContact O-CB 3.21Å; K750-L754 VanDerWaalsContact O-CG 3.3Å; K750-L754 WeakPolarHBondContact O-CG 3.41Å; K750-L754 PolarHBondContact O-N 3.23Å
751Q72Confident60.9Low126 Ų12699.7 Ų99.759%0.58950%0.503SS*.Hα-helixtrans-64.3-38.9175.9-82-167.9-11.900112.2D747 E748 L754 N755D747-Q751 WeakPolarHBondContact O-CB 3.47Å; D747-Q751 WeakPolarHBondContact O-CG 3.21Å; D747-Q751 PolarHBondContact O-N 3.08Å; E748-Q751 PolarHBondContact O-N 3.35Å; Q751-L754 PolarHBondContact O-N 2.08Å; Q751-N755 VanDerWaalsContact O-CB 3.24Å; Q751-N755 WeakPolarHBondContact O-CB 3.36Å; Q751-N755 PolarHBondContact O-N 3.49Å; Q751-N755 PolarHBondContact O-ND2 2.06Å
752K72.1Confident60.6Low108 Ų108100.5 Ų100.547%0.4751%0.507SS..Hα-helixtrans-66.6-40.9174.9-76.5168.7-176167.80111.6E748 V749 N755 I756E748-K752 VanDerWaalsContact CD-NZ 3.25Å; E748-K752 HydrophobicContact CG-CD 4.28Å; E748-K752 WeakPolarHBondContact O-CB 3.47Å; E748-K752 VanDerWaalsContact O-CG 3.27Å; E748-K752 WeakPolarHBondContact O-CG 3.38Å; E748-K752 PolarHBondContact O-N 2.71Å; E748-K752 WeakPolarHBondContact OE1-CE 3.46Å; E748-K752 IonicContact OE1-NZ 3.96Å; E748-K752 PolarHBondContact OE1-NZ 2.5Å; E748-K752 IonicContact OE2-NZ 3Å; V749-K752 PolarHBondContact O-N 2.98Å; K752-N755 PolarHBondContact O-N 2.71Å; K752-I756 WeakPolarHBondContact O-CB 3.45Å; K752-I756 WeakPolarHBondContact O-CD1 3.43Å; K752-I756 WeakPolarHBondContact O-CG1 3.46Å; K752-I756 PolarHBondContact O-N 2.85Å
753L65.9Low59.8Low93 Ų9397.7 Ų97.749%0.48750%0.496SS..Hα-helixtrans-63.9-43172.9-72.7166.9000112V749 K750 I756 S757V749-L753 HydrophobicContact CG1-CD1 4Å; V749-L753 WeakPolarHBondContact O-CB 3.49Å; V749-L753 VanDerWaalsContact O-CG 3.31Å; V749-L753 WeakPolarHBondContact O-CG 3.32Å; V749-L753 PolarHBondContact O-N 3.43Å; K750-L753 PolarHBondContact O-N 2.09Å; L753-I756 PolarHBondContact O-N 2.72Å; L753-S757 WeakPolarHBondContact O-CB 3.49Å; L753-S757 PolarHBondContact O-N 3.2Å; L753-S757 PolarHBondContact O-OG 3.48Å
754L65.9Low58.7Low103 Ų10398.2 Ų98.254%0.53950%0.498SS..Hα-helixtrans-62.5-44.8174.1-76.9165.4000111.5K750 Q751 S757 T758K750-L754 WeakPolarHBondContact O-CB 3.21Å; K750-L754 VanDerWaalsContact O-CG 3.3Å; K750-L754 WeakPolarHBondContact O-CG 3.41Å; K750-L754 PolarHBondContact O-N 3.23Å; Q751-L754 PolarHBondContact O-N 2.08Å; L754-S757 WeakPolarHBondContact CA-OG 3.48Å; L754-S757 CarbonylContact O-C 3.6Å; L754-S757 PolarHBondContact O-N 2.69Å; L754-S757 PolarHBondContact O-OG 3.25Å; L754-T758 WeakPolarHBondContact O-CB 3.37Å; L754-T758 WeakPolarHBondContact O-CG2 3.22Å; L754-T758 PolarHBondContact O-N 2.92Å; L754-T758 PolarHBondContact O-OG1 3.28Å
755N64.5Low57.3Low86 Ų8697.3 Ų97.346%0.4650%0.5SS..Hα-helixtrans-65.1-42.5177.2-71.3-13.3000111.4Q751 K752 S757 T758 L759Q751-N755 VanDerWaalsContact O-CB 3.24Å; Q751-N755 WeakPolarHBondContact O-CB 3.36Å; Q751-N755 PolarHBondContact O-N 3.49Å; Q751-N755 PolarHBondContact O-ND2 2.06Å; K752-N755 PolarHBondContact O-N 2.71Å; N755-S757 VanDerWaalsContact C-N 3.33Å; N755-S757 PolarHBondContact O-N 3.48Å; N755-T758 WeakPolarHBondContact CA-OG1 3.3Å; N755-T758 PolarHBondContact O-N 2.71Å; N755-T758 PolarHBondContact O-OG1 3.36Å; N755-L759 HydrophobicContact CB-CD1 4.31Å; N755-L759 WeakPolarHBondContact O-CB 3.35Å; N755-L759 WeakPolarHBondContact O-CG 3.43Å; N755-L759 PolarHBondContact O-N 2.08Å
756I60.8Low55.8Low105 Ų10597.1 Ų97.154%0.53851%0.511SS..Hα-helixtrans-60.3-43.8172.5-70.5162.6000110.6K752 L753 T758 H760K752-I756 WeakPolarHBondContact O-CB 3.45Å; K752-I756 WeakPolarHBondContact O-CD1 3.43Å; K752-I756 WeakPolarHBondContact O-CG1 3.46Å; K752-I756 PolarHBondContact O-N 2.85Å; L753-I756 PolarHBondContact O-N 2.72Å; I756-T758 VanDerWaalsContact C-N 3.27Å; I756-T758 PolarHBondContact O-N 2.85Å; I756-H760 PolarHBondContact O-N 3.48Å
757S49.5Very low54.2Low54 Ų5499.4 Ų99.438%0.37853%0.528SS..Hα-helixtrans-69.2-21.1178.776.70000114.2L753 L754 N755L753-S757 WeakPolarHBondContact O-CB 3.49Å; L753-S757 PolarHBondContact O-N 3.2Å; L753-S757 PolarHBondContact O-OG 3.48Å; L754-S757 WeakPolarHBondContact CA-OG 3.48Å; L754-S757 CarbonylContact O-C 3.6Å; L754-S757 PolarHBondContact O-N 2.69Å; L754-S757 PolarHBondContact O-OG 3.25Å; N755-S757 VanDerWaalsContact C-N 3.33Å; N755-S757 PolarHBondContact O-N 3.48Å
758T52.4Low52.1Low58 Ų5898.5 Ų98.536%0.35654%0.537SS..Hα-helixtrans-104.8-16.2-178.852.90000114.3L754 N755 I756 R764L754-T758 WeakPolarHBondContact O-CB 3.37Å; L754-T758 WeakPolarHBondContact O-CG2 3.22Å; L754-T758 PolarHBondContact O-N 2.92Å; L754-T758 PolarHBondContact O-OG1 3.28Å; N755-T758 WeakPolarHBondContact CA-OG1 3.3Å; N755-T758 PolarHBondContact O-N 2.71Å; N755-T758 PolarHBondContact O-OG1 3.36Å; I756-T758 VanDerWaalsContact C-N 3.27Å; I756-T758 PolarHBondContact O-N 2.85Å; T758-R764 VanDerWaalsContact O-CZ 3.3Å; T758-R764 PolarHBondContact O-NE 3.34Å; T758-R764 PolarHBondContact O-NH2 3.18Å
759L40.5Very low50.1Low139 Ų13999.9 Ų99.973%0.72855%0.552SS**Hα-helixtrans-93.9-17.7175.6-70.1169.5000113.6N755 P761N755-L759 HydrophobicContact CB-CD1 4.31Å; N755-L759 WeakPolarHBondContact O-CB 3.35Å; N755-L759 WeakPolarHBondContact O-CG 3.43Å; N755-L759 PolarHBondContact O-N 2.08Å; L759-P761 VanDerWaalsContact O-CD 3.25Å; L759-P761 WeakPolarHBondContact O-CD 3.46Å
760H39.8Very low47.9Very low88 Ų88103.6 Ų103.641%0.40758%0.575SS.*  trans-80.7110.8172.8-133.1-87.1000110I756 E762 L763 R764I756-H760 PolarHBondContact O-N 3.48Å; H760-E762 IonicContact CE1-OE2 3.64Å; H760-E762 PolarHBondContact CE1-OE2 3.14Å; H760-E762 VanDerWaalsContact CE1-OE2 3.26Å; H760-E762 IonicContact ND1-OE2 2.74Å; H760-E762 PolarHBondContact O-N 3.48Å; H760-L763 HydrophobicContact CB-CB 4.14Å; H760-L763 HydrophobicContact CB-CD1 3.77Å; H760-L763 HydrophobicContact CB-CG 3.85Å; H760-L763 PolarHBondContact O-N 3.11Å; H760-R764 PolarHBondContact O-N 3.26Å
761P40Very low45.7Very low100 Ų100103.5 Ų103.565%0.64959%0.588SS**Hα-helixtrans-62.7-32.4-17924.8-33.4000112L759 L763 R764L759-P761 VanDerWaalsContact O-CD 3.25Å; L759-P761 WeakPolarHBondContact O-CD 3.46Å; P761-L763 PolarHBondContact O-N 2.91Å; P761-R764 PolarHBondContact O-N 2.91Å
762E39.8Very low43.7Very low134 Ų134103.8 Ų103.863%0.62660%0.598SS**Hα-helixtrans-67.3-14.5175.9-54.2-178.5145.400114.4H760 S765H760-E762 IonicContact CE1-OE2 3.64Å; H760-E762 PolarHBondContact CE1-OE2 3.14Å; H760-E762 VanDerWaalsContact CE1-OE2 3.26Å; H760-E762 IonicContact ND1-OE2 2.74Å; H760-E762 PolarHBondContact O-N 3.48Å; E762-S765 PolarHBondContact O-OG 2.87Å
763L38.6Very low41.9Very low75 Ų75105.5 Ų105.539%0.39361%0.611SS.*Hα-helixtrans-93.6-23.6173.7-66.2178.2000112.2H760 P761H760-L763 HydrophobicContact CB-CB 4.14Å; H760-L763 HydrophobicContact CB-CD1 3.77Å; H760-L763 HydrophobicContact CB-CG 3.85Å; H760-L763 PolarHBondContact O-N 3.11Å; P761-L763 PolarHBondContact O-N 2.91Å
764R34.9Very low40.2Very low168 Ų168107.7 Ų107.763%0.63462%0.624SS**Hα-helixtrans-70.9-34.4176.2-71-169.1179-137.42.4112.8T758 H760 P761 A766 V767T758-R764 VanDerWaalsContact O-CZ 3.3Å; T758-R764 PolarHBondContact O-NE 3.34Å; T758-R764 PolarHBondContact O-NH2 3.18Å; H760-R764 PolarHBondContact O-N 3.26Å; P761-R764 PolarHBondContact O-N 2.91Å; R764-A766 PolarHBondContact O-N 3.5Å; R764-V767 PolarHBondContact O-N 2.85Å
765S37.3Very low38.6Very low87 Ų87107 Ų10761%0.60863%0.632SS**THydrogen-bonded Turntrans-66.1-23.3177.854.90000113.7E762E762-S765 PolarHBondContact O-OG 2.87Å
766A36.5Very low37Very low80 Ų80112.3 Ų112.366%0.66165%0.654SS**THydrogen-bonded Turntrans-83.5-6.1-176.800000114.8R764R764-A766 PolarHBondContact O-N 3.5Å
767V35.2Very low35.6Very low133 Ų133112.2 Ų112.281%0.80667%0.67SS**THydrogen-bonded Turntrans-124.6-8.7-168.7-174.90000113.3R764R764-V767 PolarHBondContact O-N 2.85Å
768G28.2Very low34.6Very low58 Ų58113.6 Ų113.660%0.59869%0.692SS**SBendtrans-152.652-165.100000119
769T29.2Very low33.7Very low123 Ų123115.4 Ų115.476%0.75571%0.707SS**  trans-157.7130.1151.218.90000111.4
770T28Very low33.2Very low152 Ų152119 Ų11993%0.93371%0.712SS**  trans-10682.217549.60000111.1
771S29.7Very low32.9Very low104 Ų104120.9 Ų120.973%0.72773%0.732SS**  trans-157.5129.4166.355.80000112.3
772V29.9Very low32.5Very low132 Ų132126.2 Ų126.280%0.874%0.739SS**  trans-54.7132.6-179.6-160.50000112.9
773L33.5Very low32Very low143 Ų143128.6 Ų128.675%0.74976%0.756SS**  174156.7115.1-90.1170000113.8
774D31Very low31.8Very low140 Ų140131.7 Ų131.775%0.74977%0.771SS**  trans-17.8130.1179.4-51.1-35.6000118.7
775A31.8Very low31.8Very low87 Ų87130.7 Ų130.772%0.71978%0.778SS**  cis85.1107.244.400000115.5
776Q30.2Very low31.7Very low198 Ų198137.9 Ų137.993%0.92579%0.791SS**  trans-167.3160.1135.4-110.3172.566.300112.5
777A32.1Very low31.7Very low104 Ų104140 Ų14086%0.8679%0.791SS**  trans53.194.7168.200000118.4
778G29.1Very low31.9Very low82 Ų82137.2 Ų137.285%0.84578%0.775SS**  trans-100.3176.6174.800000115.4
779S32.6Very low32.3Very low97 Ų97143.5 Ų143.568%0.67879%0.786SS**  trans-165.7131.3161.6-142.40000112.1
780Y29.2Very low32.7Very low214 Ų214145.3 Ų145.384%0.83979%0.786SS**  trans58.7139.8172.2-57.6-73.1000119.8
781P34Very low33Very low127 Ų127142.6 Ų142.683%0.82577%0.772SS**  trans-86.8131.2-176.633.6-33.9000113.4
782R32.3Very low33.3Very low212 Ų212144 Ų14480%0.877%0.771SS**  trans-92.8131.7158.7-82.1-176.3167.4173.4-2.4109.8I784R782-I784 PolarHBondContact O-N 3.45Å; R782-I784 VanDerWaalsContact O-N 3.15Å
783L29.6Very low33.5Very low185 Ų185144.2 Ų144.297%0.96977%0.767SS**  trans-66.9108171.8-78.8164000110.1
784I34.2Very low33.4Very low139 Ų139144.8 Ų144.871%0.71377%0.771SS**  trans-112.9109.8171.4-60.9178.3000108.1R782 R786R782-I784 PolarHBondContact O-N 3.45Å; R782-I784 VanDerWaalsContact O-N 3.15Å; I784-R786 PolarHBondContact O-N 2.64Å
785L35.1Very low33.5Very low148 Ų148142.7 Ų142.778%0.77577%0.773SS**  trans-69.499.1174.6-75165.6000110I787L785-I787 PolarHBondContact O-N 2.79Å; L785-I787 VanDerWaalsContact O-N 3.15Å
786R34.1Very low33.5Very low237 Ų237146.2 Ų146.289%0.89478%0.78SS**  trans-73.699.4166.9-80.8-176.3170.4154.4-2109.6I784I784-R786 PolarHBondContact O-N 2.64Å
787I37.4Very low33.7Very low126 Ų126142 Ų14265%0.64677%0.773SS**  trans-67.2128.6167.8-58173.7000108.2L785 K789L785-I787 PolarHBondContact O-N 2.79Å; L785-I787 VanDerWaalsContact O-N 3.15Å; I787-K789 PolarHBondContact O-N 3.02Å
788P38.4Very low33.7Very low73 Ų73145.6 Ų145.647%0.47477%0.771SS.*  trans-60.7133.3172.1-22.333.8000111E790 C791P788-E790 PolarHBondContact O-N 2.76Å; P788-E790 VanDerWaalsContact O-N 3.17Å; P788-C791 PolarHBondContact O-N 2.89Å
789K36.8Very low33.8Very low190 Ų190147.3 Ų147.383%0.82677%0.768SS**THydrogen-bonded Turntrans-70.6-7.8-178.6-74.9-170.3174.1-174.90114I787I787-K789 PolarHBondContact O-N 3.02Å
790E38.4Very low33.5Very low161 Ų161147.9 Ų147.975%0.75277%0.771SS**THydrogen-bonded Turntrans-78.3-26176.1-70125.5-120.200113.2P788 L792P788-E790 PolarHBondContact O-N 2.76Å; P788-E790 VanDerWaalsContact O-N 3.17Å; E790-L792 PolarHBondContact O-N 2.95Å; E790-L792 VanDerWaalsContact O-N 3.07Å
791C33Very low33.8Very low95 Ų95146 Ų14664%0.64277%0.774SS**THydrogen-bonded Turntrans-84.829.7-174.6-55.20000114.5P788P788-C791 PolarHBondContact O-N 2.89Å
792L36.3Very low33.8Very low135 Ų135147.2 Ų147.271%0.70777%0.774SS**THydrogen-bonded Turntrans-138.513.9-169-119.1167.7000115E790E790-L792 PolarHBondContact O-N 2.95Å; E790-L792 VanDerWaalsContact O-N 3.07Å
793N33.8Very low34Very low135 Ų135144.5 Ų144.572%0.72277%0.77SS**  trans-123.1-5.3-177.1-85-25.3000115.8A795N793-A795 PolarHBondContact O-N 3.49Å
794D32.7Very low34Very low156 Ų156144 Ų14483%0.83476%0.763SS**  trans-80.351.6-176-62.6-44.5000113.7
795A32.5Very low34Very low96 Ų96141 Ų14179%0.79377%0.766SS**  trans-124.128.8176.800000112.1N793N793-A795 PolarHBondContact O-N 3.49Å
796N32Very low33.8Very low160 Ų160145.8 Ų145.886%0.85677%0.774SS**  trans-152.656.7-177-140.46.9000115
797S33.3Very low33.8Very low111 Ų111143.4 Ų143.478%0.77678%0.776SS**  trans-150.3104167.845.80000111.4
798Q33Very low33.5Very low178 Ų178148.8 Ų148.883%0.83279%0.788SS**PPolyproline II helixtrans-86.2148.5171.8-78.2-158.6-90.600111.8
799P31Very low33.4Very low118 Ų118155.5 Ų155.577%0.76681%0.809SS**PPolyproline II helixtrans-76.6128.7150.332.6-29.6000109.5
800C26.7Very low33.4Very low110 Ų110158.1 Ų158.174%0.74381%0.814SS**PPolyproline II helixtrans-92.6127.1175.7-58.70000111.1
801L35.3Very low33Very low175 Ų175162.1 Ų162.192%0.91682%0.822SS**  trans-147.9120.6150.6-81.3-174.9000109.3
802D34.7Very low33.2Very low151 Ų151168.5 Ų168.581%0.80783%0.833SS**  trans-75.7173.7166.6-70.3-70.8000109.9
803Q34.7Very low33.4Very low156 Ų156168.2 Ų168.273%0.72984%0.837SS**  cis-153.6144.524.9-166.6173.2-6.400113.6
804E29.5Very low33.3Very low173 Ų173171.6 Ų171.681%0.80885%0.845SS**  trans32.5140.3156.1-62.4-178.596.700123.9
805G35.7Very low33.5Very low77 Ų77175.8 Ų175.879%0.79485%0.849SS**  trans-176.143.4174.500000115.5M807G805-M807 PolarHBondContact O-N 3.21Å
806R31.2Very low33.7Very low248 Ų248178.7 Ų178.794%0.93684%0.844SS**  trans-64.7119.5-178.4-83.2-179.4172.4168.31.2112.6
807M33.1Very low33.7Very low188 Ų188178.4 Ų178.493%0.92684%0.837SS**  trans-139.2139.7152-96.4-71175.600111.6G805G805-M807 PolarHBondContact O-N 3.21Å
808R32.1Very low33.8Very low239 Ų239176.9 Ų176.990%0.90283%0.831SS**  trans-92.2136.7-173.2-64.3164.8168.6158.6-6.4111.1
809K36.7Very low33.8Very low213 Ų213175.9 Ų175.993%0.92683%0.832SS**  trans-121.1102.9157.9-89.3-177.6175.6174.60111.5
810R35.8Very low33.9Very low245 Ų245174.2 Ų174.293%0.92582%0.823SS**  trans-74135.6168.6-83.2179.9162-177.9-5.4109.6
811R30.4Very low34.4Very low245 Ų245177.8 Ų177.893%0.92583%0.829SS**  trans-72.9132.4167.2-75.2174160.2177.6-6.6110.8
812R36.3Very low34.2Very low230 Ų230173.4 Ų173.487%0.86882%0.818SS**  -169.5120.2129.8-112.2174.3178.9176.4-0.8114.8
813T40.2Very low34.2Very low128 Ų128172.1 Ų172.179%0.78582%0.818SS**  trans50.4121.9139.351.20000121.9
814K33.3Very low34.2Very low206 Ų206172.3 Ų172.390%0.89682%0.822SS**  trans-71.3140.3167.1-67.7-178.5175-177.90113.7
815R35.8Very low34.1Very low245 Ų245170.2 Ų170.293%0.92582%0.821SS**  trans-160108.3144.8-111.8-179170.2-177.5-4.4104.7
816K36.3Very low34.2Very low156 Ų156172.4 Ų172.468%0.67882%0.821SS**  82116.959.6-169.7178.1-171.3-93.20111.6
817E33Very low34.1Very low155 Ų155164.8 Ų164.872%0.72481%0.811SS**  trans67.7142.4170.7-74.6148.8173.600117.1
818A36.1Very low33.7Very low78 Ų78162.2 Ų162.265%0.64581%0.805SS**  cis-161.5159.6-11.900000111.4
819N32.1Very low33.5Very low158 Ų158158.3 Ų158.385%0.84580%0.801SS**  trans62.7156.9158.7-70.810.5000117.9
820S33.8Very low33.2Very low83 Ų83152.4 Ų152.458%0.5879%0.786SS**  cis-155.2160-5.932.90000110.6
821E35.4Very low32.9Very low185 Ų185145.2 Ų145.286%0.86477%0.774SS**  trans63.7160.7157.8-67.9152.4-174.200118.4
822A31Very low33Very low83 Ų83143.2 Ų143.269%0.68677%0.766SS**  cis-161.1148.3-37.600000108.7
823P36.6Very low32.9Very low124 Ų124137.7 Ų137.781%0.80575%0.754SS**  trans-98.8134.1-173.135.7-32.9000115.1
824I33.6Very low32.6Very low159 Ų159138.1 Ų138.182%0.81575%0.751SS**  trans-145.2112.3171.8-57.8-177.3000105.9
825V27.8Very low32.5Very low130 Ų130132.7 Ų132.779%0.78874%0.739SS**  76.8132.568.6175.30000112.6
826P37.3Very low32.2Very low122 Ų122126 Ų12679%0.79273%0.729SS**  trans-104.9159.3-156.339.8-36.4000117.3
827A29.5Very low31.9Very low88 Ų88124 Ų12473%0.72773%0.729SS**  trans-144.2140.1157.900000107.2
828V25.3Very low31.9Very low134 Ų134125.1 Ų125.181%0.81273%0.732SS**  cis72.9143.946-172.80000112
829I28Very low31.7Very low158 Ų158125.3 Ų125.381%0.8173%0.733SS**  trans80.8130.9-176.8-51.1-179.8000113.6
830S29Very low31.5Very low88 Ų88123 Ų12362%0.61573%0.73SS**  cis-170.6177.1-21.8650000109.8
831S30.1Very low31.4Very low94 Ų94125 Ų12566%0.65774%0.738SS**  trans75142.6151.1-59.90000117.3
832R33.5Very low31.2Very low203 Ų203120.2 Ų120.277%0.76673%0.725SS**  cis-159162.50.9-122.7-174.5155.8120.1-3.2112.2
833D32.3Very low31.1Very low115 Ų115123.4 Ų123.462%0.61573%0.731SS**  trans15.5138.5141.4-39.9-19.4000118
834D35Very low30.8Very low137 Ų137122.8 Ų122.873%0.73373%0.728SS**  cis-141.8149.719.7-103.5-65.2000110
835S30.3Very low30.5Very low91 Ų91122.2 Ų122.264%0.63673%0.726SS**  51.9139.580.3110.50000114.4
836C30.5Very low30.7Very low104 Ų104121.3 Ų121.370%0.70372%0.721SS**  cis-167158.234.7-130.10000112.7
837V30.4Very low30.3Very low114 Ų114122.9 Ų122.969%0.69172%0.723SS**  trans66.7134.8137161.20000119.1
838K32.7Very low30.6Very low180 Ų180123.6 Ų123.678%0.78372%0.72SS**  cis-165.8167.32.3-122.2174.2-148.8159.20111.8
839A30.6Very low30.7Very low81 Ų81126.5 Ų126.567%0.66972%0.722SS**  trans62.9123.314800000118.1
840S28.5Very low31.4Very low111 Ų111123.8 Ų123.878%0.77672%0.715SS**  68.5141.674.4-48.80000113.2
841T32.8Very low31.3Very low123 Ų123128.7 Ų128.776%0.75573%0.725SS**  cis-159.6152.332.7-31.10000113.4
842S31.6Very low31.4Very low85 Ų85127.4 Ų127.459%0.59473%0.727SS**  trans51.6123.5144.559.40000123.2
843N28.9Very low31.3Very low151 Ų151126.2 Ų126.281%0.80773%0.73SS**  47.4119.2119.5-45.2-14.4000120.6
844C28.8Very low31.2Very low110 Ų110125.6 Ų125.674%0.74374%0.74SS**  -173.7140.3110.2-90.70000108.5
845L28.7Very low30.9Very low148 Ų148123 Ų12378%0.77574%0.738SS**  53.5126.975.3-55173.5000111.6
846T31.9Very low30.8Very low111 Ų111124.1 Ų124.168%0.68175%0.745SS**  cis-164.5143.715.1-10.50000112.9
847N28Very low30.6Very low155 Ų155123.5 Ų123.583%0.82975%0.747SS**  trans53.1164.4141.3-755.4000122.9
848P36.4Very low30.5Very low103 Ų103125.2 Ų125.267%0.66975%0.751SS**  trans-124.7-165.1-162.342-25.7000114.9
849F27.3Very low30.4Very low195 Ų195122 Ų12286%0.85575%0.747SS**  trans81.8159.3163.2-84.1-49000117.9
850P42.1Very low30.2Very low101 Ų101123.6 Ų123.666%0.65675%0.752SS**  -132.4-140-125.746.7-28.9000114.2
851F28Very low30.3Very low191 Ų191122.5 Ų122.584%0.83876%0.759SS**  trans88.1147.9177.8-80.3-85.4000118
852G31.4Very low30.3Very low67 Ų67120.1 Ų120.169%0.69176%0.759SS**  trans118.966.8-174.800000111.8
853Q30.2Very low30.1Very low178 Ų178123.9 Ų123.983%0.83277%0.772SS**  68.3142.777.5-72.1-164.2-9.300116
854A30.5Very low30.4Very low101 Ų101124 Ų12484%0.83577%0.771SS**  trans69.3149.1167.500000117.6
855A29.5Very low30.5Very low83 Ų83125.4 Ų125.469%0.68677%0.771SS**  cis-167.7158.2-23.900000109.4
856C28.3Very low30.5Very low115 Ų115123 Ų12378%0.77777%0.772SS**  trans62.3128.5169.9-58.70000115.9
857A26.4Very low30.6Very low90 Ų90124.1 Ų124.174%0.74478%0.779SS**  70.4150.45100000114
858I29Very low30.7Very low151 Ų151123.6 Ų123.677%0.77478%0.776SS**  trans109.3110.2174.6-61163.2000115.1
859T28.8Very low30.7Very low113 Ų113124.4 Ų124.469%0.69378%0.784SS**  trans27.8121.2150.961.40000119.9
860S27.2Very low30.7Very low113 Ų113124.9 Ų124.979%0.7979%0.786SS**  62.9119.868.684.70000116
861G30.1Very low30.1Very low88 Ų88124.1 Ų124.191%0.90779%0.788SS**  trans114.8132.7167.900000114
862G32.4Very low30.2Very low73 Ų73122.5 Ų122.575%0.75379%0.788SS**  trans143.163.1174.500000116I864G862-I864 PolarHBondContact O-N 2.93Å
863N27.5Very low30.2Very low165 Ų165125.2 Ų125.288%0.88280%0.797SS**  trans-65.6120.2165.3-83.7-10.1000109.9
864I35Very low30.2Very low153 Ų153121.9 Ų121.979%0.78579%0.793SS**  trans-139.197.4158.8-35.2176.5000110.9G862G862-I864 PolarHBondContact O-N 2.93Å
865N31.3Very low30.3Very low140 Ų140122.4 Ų122.475%0.74979%0.79SS**  trans18.5126.9145.7-47.7-24000120.7
866A28.7Very low30.4Very low96 Ų96125.5 Ų125.579%0.79380%0.795SS**  trans62.8154.8135.200000118.7
867V34.9Very low30.7Very low135 Ų135125.6 Ų125.682%0.81880%0.798SS**  cis-137.3153.422.7-168.70000110.7
868D30.2Very low31Very low145 Ų145124.5 Ų124.578%0.77580%0.795SS**  trans-51146.9164.7-68.4-96.7000113.8
869S35Very low31.2Very low120 Ų120125.3 Ų125.384%0.83980%0.799SS**  -164.9146.1114.4-82.50000112.8
870K29.2Very low31.3Very low204 Ų204125.8 Ų125.889%0.88780%0.802SS**  trans-74.2152.2170.7-55.8162.2-179.2171.90110
871A29.4Very low31.6Very low85 Ų85125.5 Ų125.570%0.70280%0.798SS**  -174.6147.4126.200000112.8
872D30Very low31.7Very low158 Ų158127.5 Ų127.585%0.84579%0.788SS**  trans47.7116.8141.7-51-21.8000121.7
873S30.6Very low31.9Very low124 Ų124128.6 Ų128.687%0.86778%0.784SS**  trans-117.180173.161.60000112.1
874S30.6Very low32.3Very low107 Ų107128.2 Ų128.275%0.74878%0.775SS**  trans-164.6173.8162.9650000111.1
875S31.2Very low32.3Very low112 Ų112127.7 Ų127.778%0.78377%0.769SS**  trans79.2149.6-173.785.70000114.8
876D31.7Very low32.6Very low148 Ų148128.4 Ų128.479%0.79177%0.768SS**  cis-154.1-178-1.1-145-22.9000113.1
877S36.1Very low33Very low118 Ų118127.7 Ų127.783%0.82576%0.757SS**  trans83.5128.6167.475.10000118
878G32.2Very low33.3Very low66 Ų66127.5 Ų127.568%0.6876%0.759SS**  cis154.2156-17.600000115.4
879I32.3Very low33.6Very low168 Ų168124.6 Ų124.686%0.86276%0.755SS**  trans72.7133.3157.5-55.7172.1000116.8
880V31.3Very low33.6Very low124 Ų124128 Ų12875%0.75276%0.755SS**  cis-173.3169.5-29.4111.60000110.1
881C33.2Very low33.9Very low106 Ų106123.4 Ų123.472%0.71675%0.748SS**  trans72.9146.1167.7-81.10000119.1
882D33.2Very low34.3Very low131 Ų131123 Ų12370%0.70175%0.752SS**  cis-166.6177.9-18.6-139.6-48.9000112.8
883S37.4Very low34.6Very low96 Ų96119.2 Ų119.267%0.67175%0.751SS**  trans79.5114168.8-55.50000117.4
884K34.4Very low35Very low157 Ų157122 Ų12268%0.68375%0.75SS**  77.2137.864.7-75174.7156-81.10113.1
885E35.7Very low35.1Very low142 Ų142124 Ų12466%0.66475%0.75SS**  cis-160.8-178.6-2.6-118.1157.6173.600108.1
886E37.1Very low35.2Very low154 Ų154126.1 Ų126.172%0.7275%0.747SS**  cis-149.3-144.415.8-144.5-71.6101.300110.1
887S37.1Very low35.2Very low81 Ų81124.2 Ų124.257%0.56674%0.741SS**  trans-111.1-173.6-166.7-56.20000113.9
888P41.6Very low35.1Very low131 Ų131124.1 Ų124.185%0.85174%0.735SS**  -138.2163.185.938.7-25.1000116
889A35.8Very low34.9Very low85 Ų85128.4 Ų128.470%0.70274%0.737SS**  trans-82.9-177.6-175.700000114
890F34.7Very low35.3Very low191 Ų191127.9 Ų127.984%0.83874%0.735SS**  cis-165155.318.6-164.3-125.5000112.1
891S37.3Very low35.6Very low107 Ų107128 Ų12875%0.74874%0.739SS**  trans56.3140.5157.761.50000121.9
892G36.5Very low35.6Very low76 Ų76128.8 Ų128.878%0.78475%0.746SS**  cis160148.5-11.500000115.7
893G37.4Very low35.7Very low80 Ų80127.5 Ų127.583%0.82575%0.753SS**  trans82.2147.9165.800000117.3
894Q37.4Very low35.4Very low181 Ų181128 Ų12885%0.84676%0.763SS**  cis-148.6138.4-8.2-96.3177.6-28.400107.5
895M32.7Very low35.4Very low151 Ų151123.9 Ų123.974%0.74477%0.765SS**  66.3134.792.1-150.8161.7172.700112.8
896E33.8Very low35.1Very low156 Ų156123.6 Ų123.673%0.72977%0.773SS**  cis-154.9140.338-160.4168.9-176.600107.8
897V32.7Very low34.7Very low108 Ų108124.8 Ų124.866%0.65578%0.779SS**  cis84.4154.846.7-177.50000113.5
898V33.1Very low34.2Very low116 Ų116125.6 Ų125.670%0.70379%0.79SS**  trans83.7130.1-177.7-175.30000115.7
899E28.6Very low33.5Very low156 Ų156123.1 Ų123.173%0.72978%0.78SS**  cis-165.3-175.2-31.2-139.772.8-74.500111.3
900L39.8Very low33.1Very low156 Ų156126.7 Ų126.782%0.81779%0.786SS**  trans-108.7162.2168.6-81.6165.3000111.8
901P39Very low32.8Very low128 Ų128123.2 Ų123.283%0.83178%0.781SS**  -146.3172.5115.738.5-24.2000115.7
902S32.7Very low32.7Very low122 Ų122125 Ų12585%0.85378%0.777SS**  trans-112150.1175.8178.10000111.8
903A35.3Very low32.7Very low103 Ų103126.6 Ų126.685%0.85177%0.774SS**  trans-154.9164.9171.600000111.3
904A31.3Very low32.2Very low108 Ų108131.1 Ų131.189%0.89377%0.771SS**  trans-136.3169.5-16500000115.1
905G33.3Very low31.7Very low69 Ų69127.2 Ų127.271%0.71176%0.763SS**  trans107.5162.8172.700000114.9
906T30.6Very low31.6Very low137 Ų137125.3 Ų125.384%0.8476%0.764SS**  cis-157.4159.1-10.5-78.50000109.8
907Q27.7Very low31.2Very low179 Ų179128.1 Ų128.184%0.83677%0.774SS**  trans-30.5164.3178.3-57.1173-1.500121.4
908A27.2Very low31.1Very low97 Ų97126.6 Ų126.680%0.80278%0.781SS**  trans82.3154.2147.900000119
909A26.5Very low31.2Very low79 Ų79131.9 Ų131.965%0.65379%0.788SS**  cis-174.1-177.1-26.700000108.5
910I27.6Very low31.6Very low160 Ų160130.3 Ų130.382%0.82179%0.792SS**  trans72.4141156.3-66157.2000115.9
911T28.3Very low31.1Very low119 Ų119134.3 Ų134.373%0.7380%0.796SS**  cis-166153.3-17.8-900000109.8
912E34.2Very low30.7Very low144 Ų144131.5 Ų131.567%0.67379%0.79SS**  trans-44.3152.6165.6-91.5-78159.900115.2F914E912-F914 PolarHBondContact OE2-N 3.12Å; E912-F914 VanDerWaalsContact OE2-N 3.12Å
913P37.2Very low30.6Very low110 Ų110133.1 Ų133.171%0.71479%0.794SS**  -157.7132.792.737.6-16.1000120.1
914F26.4Very low30.4Very low174 Ų174131.1 Ų131.176%0.76378%0.783SS**  54.2137.5122.5-74.9-82.3000125.5E912E912-F914 PolarHBondContact OE2-N 3.12Å; E912-F914 VanDerWaalsContact OE2-N 3.12Å
915C27.9Very low30.5Very low100 Ų100133.7 Ų133.768%0.67678%0.782SS**  trans65.3119.4136.8-78.30000124.3
916S30.2Very low30.4Very low110 Ų110137.2 Ų137.277%0.76978%0.78SS**  168.6120.4106.7-73.20000111.4
917F25.5Very low30.7Very low215 Ų215135.4 Ų135.494%0.94377%0.771SS**  70.2119.280.8-98.1-84.2000117
918G31.2Very low30.8Very low77 Ų77133.7 Ų133.779%0.79477%0.766SS**  trans165.4106.5168.500000117
919R35.7Very low31Very low227 Ų227134.4 Ų134.486%0.85776%0.762SS**  trans-120.4152.2161.7-68.9-174.4179.8-136.311.5108.2
920P36.7Very low31.3Very low123 Ų123140.5 Ų140.580%0.79977%0.774SS**  -135167.886.512.512000112.6
921R29.6Very low31.5Very low240 Ų240139.1 Ų139.191%0.90677%0.773SS**  cis83127.738.8-75.4-167.8176-170.81.4116.4
922G29.9Very low31.6Very low68 Ų68139 Ų13970%0.70178%0.777SS**  trans135.6107.8176.700000110.5
923V31.2Very low31.4Very low157 Ų157137.1 Ų137.195%0.95278%0.78SS**  60.9122.370-172.90000112
924G29.7Very low31Very low60 Ų60137.9 Ų137.962%0.61978%0.782SS**  cis-171.9-161.90.300000113.1
925D33.4Very low31.1Very low162 Ų162137.6 Ų137.687%0.86678%0.777SS**  trans74.7127.1163.1-49.9-27.3000122.2
926E32.3Very low31.3Very low144 Ų144137.9 Ų137.967%0.67378%0.778SS**  trans-103.7-175166-133.4-136.911200108I928E926-I928 PolarHBondContact OE1-N 3.41Å
927P35.4Very low31.2Very low98 Ų98138.6 Ų138.664%0.63678%0.777SS**  cis-143.1-165.215.132.4-5.3000117.7
928I31Very low31.5Very low143 Ų143134 Ų13473%0.73377%0.771SS**  trans105.3121.5154.5-55.9173.7000117E926E926-I928 PolarHBondContact OE1-N 3.41Å
929P32.1Very low31.5Very low112 Ų112138.7 Ų138.773%0.72777%0.772SS**  trans-100.9166.7-179.539.6-36.5000115.4
930K32.4Very low31.3Very low208 Ų208133 Ų13390%0.90477%0.768SS**  trans-140.1155.8159.1-70.6-171.5179.4177.10110.6
931T30.6Very low31.1Very low130 Ų130135.5 Ų135.580%0.79877%0.771SS**  trans-111.4172.6-161.650.50000115.1
932S30Very low31.3Very low116 Ų116131.5 Ų131.581%0.81176%0.762SS**  trans86.6100.1153.8-53.70000119.6
933S30.2Very low31.5Very low106 Ų106134.8 Ų134.874%0.74177%0.771SS**  -155.7156.4120.3-165.20000110.1
934V29.5Very low31.5Very low125 Ų125132.1 Ų132.176%0.75876%0.755SS**  trans-127.6137-172.2174.10000110.5
935Y29.3Very low31.8Very low169 Ų169136.5 Ų136.566%0.66377%0.765SS**  trans-135.5157.7166.3-74.2-52.8000110.8Q1360Y935-Q1360 VanDerWaalsContact CD1-OE1 3.23Å; Y935-Q1360 HydrophobicContact CE1-CG 4.44Å
936P31.3Very low31.5Very low105 Ų105135.3 Ų135.368%0.68277%0.767SS**  trans-91.8157.9-140.133.6-37.4000116.2
937V29.1Very low31.6Very low126 Ų126134.6 Ų134.676%0.76476%0.762SS**  trans-87.5120.5167.6174.90000109.7H939V937-H939 PolarHBondContact O-N 2.94Å
938S31.5Very low31.4Very low117 Ų117138.9 Ų138.982%0.81877%0.774SS**  trans-73.7106.9177.5-56.40000111.8S940S938-S940 PolarHBondContact O-N 3.48Å
939H30.6Very low31.8Very low176 Ų176138.1 Ų138.182%0.81578%0.776SS**  trans-71.1113.5169.9-80.3-69.7000111.3V937V937-H939 PolarHBondContact O-N 2.94Å
940S32Very low32Very low108 Ų108140.7 Ų140.776%0.75578%0.78SS**  trans-78.2116.7161-177.30000108.9S938 Q942S938-S940 PolarHBondContact O-N 3.48Å; S940-Q942 PolarHBondContact O-N 3.23Å
941M31.7Very low32.4Very low176 Ų176136 Ų13687%0.86777%0.771SS**  trans-78.1112.2175.3-69.5-165.274.900110.5
942Q33.1Very low32.5Very low156 Ų156136.8 Ų136.873%0.72978%0.775SS**  trans-85.8132.6164.7-67.5-177.4-23.700109.6S940 T944S940-Q942 PolarHBondContact O-N 3.23Å; Q942-T944 PolarHBondContact O-N 3.24Å; Q942-T944 VanDerWaalsContact O-N 3.08Å
943P36Very low32.8Very low136 Ų136137 Ų13788%0.88377%0.772SS**  trans-72100.9169.829.5-32.3000109.4
944T31.2Very low33.2Very low101 Ų101141.5 Ų141.562%0.6278%0.778SS**  trans-90.5155.7171.943.20000111.4Q942Q942-T944 PolarHBondContact O-N 3.24Å; Q942-T944 VanDerWaalsContact O-N 3.08Å
945N34.7Very low33.3Very low152 Ų152139 Ų13981%0.81377%0.766SS**  trans71.2101.1176.1-53.3-13.4000116.6
946C27.8Very low33.6Very low137 Ų137140.5 Ų140.593%0.92678%0.779SS**  trans-158.351.4148.3-97.70000110.4
947F33.7Very low33.7Very low129 Ų129140.7 Ų140.757%0.56678%0.783SS**  trans-108.991.7162.7-113.9-67.9000107
948E32.3Very low34Very low188 Ų188144 Ų14488%0.87979%0.79SS**  trans-94.4103.4178.8-169.3167.9-149.900108.9M950E948-M950 PolarHBondContact O-N 2.92Å
949V38.5Very low34Very low127 Ų127145.7 Ų145.777%0.7779%0.79SS**PPolyproline II helixtrans-67122.2-179179.50000109.4P951V949-P951 VanDerWaalsContact O-CD 3.3Å; V949-P951 WeakPolarHBondContact O-CD 3.33Å
950M36.6Very low34.1Very low166 Ų166145.9 Ų145.982%0.81879%0.791SS**PPolyproline II helixtrans-67.8120.2179.5-78.2-170.7158.400111.8E948 T952E948-M950 PolarHBondContact O-N 2.92Å; M950-T952 PolarHBondContact O-N 3.37Å
951P40.3Very low34.2Very low110 Ų110148.8 Ų148.871%0.71479%0.793SS**PPolyproline II helixtrans-79.8117.8173.931.2-32.3000111.1V949 V953V949-P951 VanDerWaalsContact O-CD 3.3Å; V949-P951 WeakPolarHBondContact O-CD 3.33Å; P951-V953 PolarHBondContact O-N 3.47Å
952T33Very low34.4Very low146 Ų146146 Ų14690%0.89679%0.79SS**  trans-74.9104.4175.9-57.40000111M950M950-T952 PolarHBondContact O-N 3.37Å
953V37Very low34.2Very low120 Ų120150.1 Ų150.173%0.72780%0.799SS**  trans-107.9132.3-179.6-1750000111.6P951P951-V953 PolarHBondContact O-N 3.47Å
954K37.1Very low33.8Very low201 Ų201147 Ų14787%0.87479%0.793SS**  trans-80.4135.4-178.3-64.9172.9-178.6172.50111.5
955S33.3Very low33.8Very low73 Ų73151.5 Ų151.551%0.5181%0.807SS.*  trans-81125.9-179-30.60000112.3M1284S955-M1284 VanDerWaalsContact OG-CE 3.29Å; S955-M1284 WeakPolarHBondContact OG-CE 2.97Å; S955-M1284 PolarHBondContact OG-SD 3.23Å
956Q35.1Very low33.9Very low200 Ų200150.4 Ų150.494%0.93581%0.81SS**  trans-135.9137.1154.1-74.2-165.9-13.400109.5
957S33Very low34.1Very low109 Ų109152.6 Ų152.676%0.76281%0.807SS**  trans-112.4135.2-172.354.50000111.4
958Q35Very low34Very low197 Ų197154 Ų15492%0.92182%0.82SS**  trans-156.7132.4151.6-113.815932.600110.9
959D31.1Very low34.2Very low152 Ų152150.8 Ų150.881%0.81382%0.819SS**  trans-78.4154.1172.3-53.9-94.9000111.4
960E33.8Very low34.2Very low179 Ų179150 Ų15084%0.83681%0.807SS**  trans179.984.5131.7-84.9-118.711500112.6
961Q34.1Very low34.1Very low169 Ų169145.8 Ų145.879%0.7981%0.806SS**  47.485.5126.3-163.7176-13.500122
962S34.9Very low34.3Very low117 Ų117145.5 Ų145.582%0.81881%0.806SS**  trans-164.8122.113553.30000110.2
963R28.9Very low34.8Very low243 Ų243145.1 Ų145.192%0.91780%0.795SS**  cis94.876.737.9-166.3-176.4-170.9170.24.7113.1
964G29.3Very low35.2Very low72 Ų72143.2 Ų143.274%0.74278%0.783SS**  trans-167.4108.5171.800000114.4
965E29.7Very low35.9Very low195 Ų195137.4 Ų137.491%0.91177%0.767SS**  trans28.4108.7148-59.9173138.100121.4
966S37Very low37.1Very low128 Ų128136.1 Ų136.190%0.89576%0.761SS**  trans-173120.6135-85.60000112.5
967Q32.4Very low38.7Very low183 Ų183132 Ų13286%0.85575%0.745SS**  trans-141.9104.9169.8-76.7-173.4-40.600109.7
968N31.4Very low40.7Very low158 Ų158128.6 Ų128.685%0.84572%0.724SS**  trans-158.674.7169.4-165.713.8000113.3
969S36.2Very low42.9Very low121 Ų121119.7 Ų119.785%0.84669%0.685SS**  trans-150.113.6172.5-52.40000114.6G971S969-G971 PolarHBondContact O-N 3.33Å
970Q38.3Very low45.3Very low112 Ų112115.1 Ų115.152%0.52367%0.668SS.*  trans-95.538.6-171.8-58.5-171.7-83.900113.8S972 V974Q970-S972 PolarHBondContact O-N 3.21Å; Q970-V974 HydrophobicContact CB-CG2 3.81Å; Q970-V974 WeakPolarHBondContact O-CB 2.75Å; Q970-V974 WeakPolarHBondContact O-CG2 3.12Å
971G35.3Very low47.6Very low77 Ų77111.9 Ų111.979%0.79465%0.654SS**THydrogen-bonded Turntrans-63.8-31.3-168.300000115.9S969S969-G971 PolarHBondContact O-N 3.33Å
972S44.6Very low50.1Low103 Ų103106.9 Ų106.972%0.7263%0.632SS**THydrogen-bonded Turntrans-102.2-38.9-176.3510000113.9Q970 V974 S975Q970-S972 PolarHBondContact O-N 3.21Å; S972-V974 VanDerWaalsContact C-N 3.34Å; S972-V974 PolarHBondContact O-N 2.99Å; S972-S975 PolarHBondContact O-N 3.01Å
973E42.9Very low52.6Low139 Ų139105.1 Ų105.165%0.6561%0.609SS**Hα-helixtrans-66.6-34.3-178.4-63.2-171.4135.300112.8S975 A976 D977E973-S975 PolarHBondContact O-N 3.13Å; E973-A976 PolarHBondContact O-N 2.72Å; E973-D977 PolarHBondContact O-N 2.89Å
974V45.9Very low55.4Low80 Ų8099.8 Ų99.849%0.48559%0.594SS.*Hα-helixtrans-61-26.6-178.8166.90000112.9Q970 S972 A978Q970-V974 HydrophobicContact CB-CG2 3.81Å; Q970-V974 WeakPolarHBondContact O-CB 2.75Å; Q970-V974 WeakPolarHBondContact O-CG2 3.12Å; S972-V974 VanDerWaalsContact C-N 3.34Å; S972-V974 PolarHBondContact O-N 2.99Å; V974-A978 WeakPolarHBondContact O-CB 3.41Å; V974-A978 PolarHBondContact O-N 3.17Å
975S51Low58.3Low78 Ų7897.7 Ų97.755%0.54557%0.566SS.*Hα-helixtrans-68-42.7178.2-167.40000112.2S972 E973 G979S972-S975 PolarHBondContact O-N 3.01Å; E973-S975 PolarHBondContact O-N 3.13Å; S975-G979 PolarHBondContact O-N 2.91Å
976A58.9Low61.2Low46 Ų4689.4 Ų89.438%0.3853%0.528SS..Hα-helixtrans-69.4-41.3177.100000111.9E973 G979 A980 L1049E973-A976 PolarHBondContact O-N 2.72Å; A976-G979 PolarHBondContact O-N 2.92Å; A976-A980 PolarHBondContact O-N 3.17Å; A976-A980 VanDerWaalsContact O-N 3.14Å; A976-L1049 HydrophobicContact CB-CD2 4.41Å
977D68.8Low63.8Low113 Ų11385.6 Ų85.660%0.60450%0.496SS*.Hα-helixtrans-69.6-35.8179-160.427.9000112E973 G979 A980 Q981E973-D977 PolarHBondContact O-N 2.89Å; D977-G979 PolarHBondContact O-N 2.79Å; D977-A980 PolarHBondContact O-N 3.42Å; D977-Q981 WeakPolarHBondContact O-CB 2.64Å; D977-Q981 PolarHBondContact O-N 2.92Å
978A75.7Confident66.6Low38 Ų3880.7 Ų80.731%0.31447%0.472SS..Hα-helixtrans-60.7-42.9171.400000112.1V974 A980 Q981 I982V974-A978 WeakPolarHBondContact O-CB 3.41Å; V974-A978 PolarHBondContact O-N 3.17Å; A978-A980 PolarHBondContact O-N 2.61Å; A978-Q981 PolarHBondContact O-N 2.8Å; A978-I982 VanDerWaalsContact O-CG1 3.25Å; A978-I982 WeakPolarHBondContact O-CG1 3.38Å; A978-I982 PolarHBondContact O-N 3.01Å
979G80.3Confident69.5Low10 Ų1077 Ų7710%0.10345%0.448CS..Hα-helixtrans-59.3-44.4174.100000112.6S975 A976 D977 K983S975-G979 PolarHBondContact O-N 2.91Å; A976-G979 PolarHBondContact O-N 2.92Å; D977-G979 PolarHBondContact O-N 2.79Å; G979-K983 PolarHBondContact O-N 3.35Å; G979-K983 VanDerWaalsContact O-N 3.11Å
980A81Confident72.2Confident56 Ų5671.9 Ų71.946%0.46341%0.411SS..Hα-helixtrans-64.1-40.4175.300000112.7A976 D977 A978 K983 Q984A976-A980 PolarHBondContact O-N 3.17Å; A976-A980 VanDerWaalsContact O-N 3.14Å; D977-A980 PolarHBondContact O-N 3.42Å; A978-A980 PolarHBondContact O-N 2.61Å; A980-K983 PolarHBondContact O-N 2.84Å; A980-Q984 PolarHBondContact O-N 3.33Å
981Q82.8Confident74.7Confident112 Ų11271.8 Ų71.852%0.52341%0.406SS..Hα-helixtrans-66.4-44.2178-171.7178.788.800112D977 A978 K983 Q984 I985D977-Q981 WeakPolarHBondContact O-CB 2.64Å; D977-Q981 PolarHBondContact O-N 2.92Å; A978-Q981 PolarHBondContact O-N 2.8Å; Q981-K983 PolarHBondContact O-N 2.82Å; Q981-Q984 PolarHBondContact O-N 3.3Å; Q981-I985 HydrophobicContact CG-CD1 4Å; Q981-I985 WeakPolarHBondContact O-CG1 3.37Å; Q981-I985 PolarHBondContact O-N 2.94Å
982I87.2Confident77.5Confident64 Ų6471.9 Ų71.933%0.32839%0.388SS..Hα-helixtrans-61.2-45.4176.5-65.7163.3000110.2A978 Q984 I985 L986 V1041A978-I982 VanDerWaalsContact O-CG1 3.25Å; A978-I982 WeakPolarHBondContact O-CG1 3.38Å; A978-I982 PolarHBondContact O-N 3.01Å; I982-Q984 PolarHBondContact O-N 3.42Å; I982-I985 PolarHBondContact O-N 3.45Å; I982-L986 HydrophobicContact CG2-CD1 3.99Å; I982-L986 HydrophobicContact CG2-CG 4.39Å; I982-L986 WeakPolarHBondContact O-CG 2.71Å; I982-L986 PolarHBondContact O-N 3.44Å; I982-V1041 HydrophobicContact CG2-CG1 3.95Å; I982-V1041 HydrophobicContact CG2-CG2 4.05Å
983K87.1Confident79.8Confident80 Ų8067.7 Ų67.735%0.34836%0.358SS..Hα-helixtrans-54.4-50.3173.6177.7-178.4-178.8-68.90111.7G979 A980 Q981 I985 L986 E987 L1038 L1042G979-K983 PolarHBondContact O-N 3.35Å; G979-K983 VanDerWaalsContact O-N 3.11Å; A980-K983 PolarHBondContact O-N 2.84Å; Q981-K983 PolarHBondContact O-N 2.82Å; K983-I985 VanDerWaalsContact C-N 3.29Å; K983-I985 PolarHBondContact O-N 3.06Å; K983-L986 PolarHBondContact O-N 2.89Å; K983-E987 IonicContact NZ-OE1 3.63Å; K983-E987 PolarHBondContact NZ-OE1 3.33Å; K983-E987 WeakPolarHBondContact O-CG 3.25Å; K983-E987 PolarHBondContact O-N 3.16Å; K983-L1038 HydrophobicContact CG-CD1 4.2Å; K983-L1042 HydrophobicContact CD-CD2 3.86Å; K983-L1042 HydrophobicContact CG-CD2 4.36Å
984Q87.4Confident82.2Confident130 Ų13064.3 Ų64.361%0.60734%0.342SS*.Hα-helixtrans-60.4-38.2-180-167.1-169.755.400112.4A980 Q981 I982 K988A980-Q984 PolarHBondContact O-N 3.33Å; Q981-Q984 PolarHBondContact O-N 3.3Å; I982-Q984 PolarHBondContact O-N 3.42Å; Q984-K988 WeakPolarHBondContact O-CB 3.32Å; Q984-K988 PolarHBondContact O-N 3.25Å; Q984-K988 VanDerWaalsContact O-N 3.14Å
985I89.7Confident84.4Confident29 Ų2966.9 Ų66.915%0.14935%0.347CS..Hα-helixtrans-72.5-41.8179.7-69.2171.9000111.4L542 Q981 I982 K983 K988 K989L542-I985 HydrophobicContact CD1-CD1 4.02Å; L542-I985 HydrophobicContact CD1-CG2 4.39Å; L542-I985 HydrophobicContact CD2-CG2 3.85Å; Q981-I985 HydrophobicContact CG-CD1 4Å; Q981-I985 WeakPolarHBondContact O-CG1 3.37Å; Q981-I985 PolarHBondContact O-N 2.94Å; I982-I985 PolarHBondContact O-N 3.45Å; K983-I985 VanDerWaalsContact C-N 3.29Å; K983-I985 PolarHBondContact O-N 3.06Å; I985-K988 WeakPolarHBondContact O-CB 3.31Å; I985-K988 PolarHBondContact O-N 2.88Å; I985-K989 PolarHBondContact O-N 3.42Å
986L91.1Very high86.3Confident21 Ų2169.1 Ų69.111%0.1134%0.343CS..Hα-helixtrans-64.2-46.5176.1-73.2174.4000112.1I982 K983 K988 K989 I990 L1037 L1038 V1041I982-L986 HydrophobicContact CG2-CD1 3.99Å; I982-L986 HydrophobicContact CG2-CG 4.39Å; I982-L986 WeakPolarHBondContact O-CG 2.71Å; I982-L986 PolarHBondContact O-N 3.44Å; K983-L986 PolarHBondContact O-N 2.89Å; L986-K988 PolarHBondContact O-N 3.06Å; L986-K989 WeakPolarHBondContact O-CA 3.44Å; L986-K989 WeakPolarHBondContact O-CB 3.16Å; L986-K989 PolarHBondContact O-N 3.21Å; L986-I990 WeakPolarHBondContact O-CG1 3.25Å; L986-I990 PolarHBondContact O-N 3.18Å; L986-L1037 HydrophobicContact CD1-CG 4.1Å; L986-L1037 HydrophobicContact CD2-CD2 3.77Å; L986-L1037 HydrophobicContact CD2-CG 4.05Å; L986-L1038 HydrophobicContact CB-CB 4.36Å; L986-L1038 HydrophobicContact CB-CD1 4.09Å; L986-L1038 HydrophobicContact CD1-CB 4.41Å; L986-L1038 HydrophobicContact CD1-CD1 4.36Å; L986-V1041 HydrophobicContact CD1-CB 4.04Å; L986-V1041 HydrophobicContact CD1-CG1 4.39Å; L986-V1041 HydrophobicContact CD1-CG2 3.77Å
987E91.6Very high87.8Confident48 Ų4871.6 Ų71.622%0.22434%0.343CS..Hα-helixtrans-57.7-37.2172.8-67.8176.3-160.200112.2K983 R991 L1038K983-E987 IonicContact NZ-OE1 3.63Å; K983-E987 PolarHBondContact NZ-OE1 3.33Å; K983-E987 WeakPolarHBondContact O-CG 3.25Å; K983-E987 PolarHBondContact O-N 3.16Å; E987-R991 WeakPolarHBondContact O-CB 3.07Å; E987-R991 VanDerWaalsContact O-CG 3.29Å; E987-R991 WeakPolarHBondContact O-CG 3.49Å; E987-R991 PolarHBondContact O-N 3.44Å; E987-R991 PolarHBondContact O-NE 3.46Å; E987-R991 VanDerWaalsContact O-NE 3.14Å; E987-R991 IonicContact OE2-CZ 3.25Å; E987-R991 VanDerWaalsContact OE2-CZ 3.27Å; E987-R991 IonicContact OE2-NH1 2.74Å; E987-R991 PolarHBondContact OE2-NH1 3.41Å; E987-R991 IonicContact OE2-NH2 3.31Å; E987-R991 PolarHBondContact OE2-NH2 3.5Å; E987-L1038 HydrophobicContact CG-CD2 4.2Å
988K91.7Very high88.9Confident80 Ų8069.1 Ų69.135%0.34834%0.338SS..Hα-helixtrans-68-34.4175.9-177.5-175.6176.1-171.70111.6Q984 I985 L986 N992Q984-K988 WeakPolarHBondContact O-CB 3.32Å; Q984-K988 PolarHBondContact O-N 3.25Å; Q984-K988 VanDerWaalsContact O-N 3.14Å; I985-K988 WeakPolarHBondContact O-CB 3.31Å; I985-K988 PolarHBondContact O-N 2.88Å; L986-K988 PolarHBondContact O-N 3.06Å; K988-N992 WeakPolarHBondContact O-CB 3.43Å; K988-N992 PolarHBondContact O-N 3.1Å; K988-N992 PolarHBondContact O-ND2 2.96Å
989K92Very high89.6Confident79 Ų7973.9 Ų73.934%0.34335%0.351SS..Hα-helixtrans-67.1-49.5173.7-156.675.6159.1-1690110.7D539 I985 L986 N992 L993D539-K989 VanDerWaalsContact CG-NZ 3.28Å; D539-K989 IonicContact OD1-NZ 3.33Å; D539-K989 PolarHBondContact OD1-NZ 2.74Å; D539-K989 IonicContact OD2-NZ 2.88Å; D539-K989 PolarHBondContact OD2-NZ 3.02Å; I985-K989 PolarHBondContact O-N 3.42Å; L986-K989 WeakPolarHBondContact O-CA 3.44Å; L986-K989 WeakPolarHBondContact O-CB 3.16Å; L986-K989 PolarHBondContact O-N 3.21Å; K989-N992 WeakPolarHBondContact O-CB 3.41Å; K989-N992 PolarHBondContact O-N 3.44Å; K989-N992 VanDerWaalsContact O-N 3.08Å; K989-L993 HydrophobicContact CG-CD1 4.39Å; K989-L993 WeakPolarHBondContact O-CG 3.26Å; K989-L993 PolarHBondContact O-N 3.26Å
990I92.9Very high90.1Very high14 Ų1474.4 Ų74.47%0.07235%0.351CS..Hα-helixtrans-56-54.5177-65165.2000110.6L986 N992 L993 E994 R1035 L1038L986-I990 WeakPolarHBondContact O-CG1 3.25Å; L986-I990 PolarHBondContact O-N 3.18Å; I990-N992 PolarHBondContact O-N 3.5Å; I990-L993 PolarHBondContact O-N 2.81Å; I990-E994 HydrophobicContact CG2-CG 4.27Å; I990-E994 WeakPolarHBondContact CG2-OE1 3.33Å; I990-E994 WeakPolarHBondContact O-CG 3.5Å; I990-E994 PolarHBondContact O-N 3.12Å; I990-R1035 HydrophobicContact CD1-CG 4.04Å; I990-R1035 HydrophobicContact CG1-CG 4.29Å; I990-R1035 HydrophobicContact CG2-CG 4.29Å; I990-L1038 HydrophobicContact CD1-CB 4.02Å; I990-L1038 HydrophobicContact CD1-CD2 3.56Å; I990-L1038 HydrophobicContact CD1-CG 4.44Å
991R91.8Very high90.5Very high111 Ų11174.2 Ų74.242%0.41934%0.342SS..Hα-helixtrans-60.7-19178.2-70.9179.4-67.8-126.20.6114.4E987 K995E987-R991 WeakPolarHBondContact O-CB 3.07Å; E987-R991 VanDerWaalsContact O-CG 3.29Å; E987-R991 WeakPolarHBondContact O-CG 3.49Å; E987-R991 PolarHBondContact O-N 3.44Å; E987-R991 PolarHBondContact O-NE 3.46Å; E987-R991 VanDerWaalsContact O-NE 3.14Å; E987-R991 IonicContact OE2-CZ 3.25Å; E987-R991 VanDerWaalsContact OE2-CZ 3.27Å; E987-R991 IonicContact OE2-NH1 2.74Å; E987-R991 PolarHBondContact OE2-NH1 3.41Å; E987-R991 IonicContact OE2-NH2 3.31Å; E987-R991 PolarHBondContact OE2-NH2 3.5Å; R991-K995 VanDerWaalsContact O-CD 3.24Å; R991-K995 WeakPolarHBondContact O-CD 3.47Å; R991-K995 VanDerWaalsContact O-CG 3.27Å; R991-K995 WeakPolarHBondContact O-CG 3.26Å
992N92.4Very high90.8Very high78 Ų7874.3 Ų74.342%0.41734%0.343SS..Hα-helixtrans-88.3-38.5173.8-77.1-18.3000112.1K988 K989 I990 K995 R996K988-N992 WeakPolarHBondContact O-CB 3.43Å; K988-N992 PolarHBondContact O-N 3.1Å; K988-N992 PolarHBondContact O-ND2 2.96Å; K989-N992 WeakPolarHBondContact O-CB 3.41Å; K989-N992 PolarHBondContact O-N 3.44Å; K989-N992 VanDerWaalsContact O-N 3.08Å; I990-N992 PolarHBondContact O-N 3.5Å; N992-K995 PolarHBondContact O-N 3.45Å; N992-R996 PolarHBondContact O-N 3.35Å
993L92.8Very high90.9Very high15 Ų1572.5 Ų72.58%0.07933%0.334CS..Hα-helixtrans-67.3-42.4175-69.7171000111.2K989 I990 K995 R996 R997 V1027 Q1030 L1031 S1034K989-L993 HydrophobicContact CG-CD1 4.39Å; K989-L993 WeakPolarHBondContact O-CG 3.26Å; K989-L993 PolarHBondContact O-N 3.26Å; I990-L993 PolarHBondContact O-N 2.81Å; L993-K995 VanDerWaalsContact C-N 3.3Å; L993-K995 PolarHBondContact O-N 2.98Å; L993-R996 CarbonylContact O-C 3.55Å; L993-R996 WeakPolarHBondContact O-CA 3.15Å; L993-R996 WeakPolarHBondContact O-CB 3.31Å; L993-R996 PolarHBondContact O-N 2.93Å; L993-R997 WeakPolarHBondContact O-CB 3.49Å; L993-R997 PolarHBondContact O-N 3.19Å; L993-V1027 HydrophobicContact CD2-CG1 4.41Å; L993-Q1030 HydrophobicContact CD1-CB 4.06Å; L993-Q1030 WeakPolarHBondContact CD1-O 3.49Å; L993-Q1030 HydrophobicContact CD2-CB 4.28Å; L993-L1031 HydrophobicContact CB-CB 4.11Å; L993-L1031 HydrophobicContact CB-CD1 4.29Å; L993-L1031 HydrophobicContact CB-CG 4.41Å; L993-L1031 HydrophobicContact CD1-CB 4.32Å; L993-S1034 WeakPolarHBondContact CD1-OG 3.15Å
994E93.3Very high90.9Very high68 Ų6872.6 Ų72.632%0.31834%0.335SS..Hα-helixtrans-57.3-42.4173.6-71.3166.5159.700111.6I990 R996 R997 A998 L1031 R1035I990-E994 HydrophobicContact CG2-CG 4.27Å; I990-E994 WeakPolarHBondContact CG2-OE1 3.33Å; I990-E994 WeakPolarHBondContact O-CG 3.5Å; I990-E994 PolarHBondContact O-N 3.12Å; E994-R996 VanDerWaalsContact C-N 3.3Å; E994-R996 PolarHBondContact O-N 2.9Å; E994-R997 PolarHBondContact O-N 2.83Å; E994-A998 WeakPolarHBondContact O-CB 3.49Å; E994-A998 PolarHBondContact O-N 3.48Å; E994-L1031 HydrophobicContact CB-CD1 4.47Å; E994-L1031 HydrophobicContact CG-CD1 3.7Å; E994-L1031 HydrophobicContact CG-CG 4.38Å; E994-R1035 IonicContact OE1-CZ 3.35Å; E994-R1035 IonicContact OE1-NE 3.98Å; E994-R1035 IonicContact OE1-NH2 2.65Å; E994-R1035 PolarHBondContact OE1-NH2 2.74Å
995K93Very high91Very high135 Ų13570.1 Ų70.159%0.58732%0.323SS*.Hα-helixtrans-71.5-20.2174.5-72.4173.4-171167.40114.1R991 N992 L993 K999R991-K995 VanDerWaalsContact O-CD 3.24Å; R991-K995 WeakPolarHBondContact O-CD 3.47Å; R991-K995 VanDerWaalsContact O-CG 3.27Å; R991-K995 WeakPolarHBondContact O-CG 3.26Å; N992-K995 PolarHBondContact O-N 3.45Å; L993-K995 VanDerWaalsContact C-N 3.3Å; L993-K995 PolarHBondContact O-N 2.98Å; K995-K999 WeakPolarHBondContact O-CD 3.47Å; K995-K999 WeakPolarHBondContact O-CG 3.3Å
996R90.7Very high90.9Very high124 Ų12471.4 Ų71.447%0.46833%0.329SS..Hα-helixtrans-80.1-48.4171.3-170.2176.4-175.4177.80.4109.8N992 L993 E994 A998 K999 L1000 V1027N992-R996 PolarHBondContact O-N 3.35Å; L993-R996 CarbonylContact O-C 3.55Å; L993-R996 WeakPolarHBondContact O-CA 3.15Å; L993-R996 WeakPolarHBondContact O-CB 3.31Å; L993-R996 PolarHBondContact O-N 2.93Å; E994-R996 VanDerWaalsContact C-N 3.3Å; E994-R996 PolarHBondContact O-N 2.9Å; R996-A998 PolarHBondContact O-N 3.07Å; R996-K999 PolarHBondContact O-N 2.83Å; R996-L1000 HydrophobicContact CG-CD1 4.21Å; R996-L1000 WeakPolarHBondContact O-CG 3.03Å; R996-L1000 PolarHBondContact O-N 2.97Å; R996-V1027 HydrophobicContact CB-CG1 4.29Å; R996-V1027 HydrophobicContact CG-CG1 4.41Å; R996-V1027 HydrophobicContact CG-CG2 4.26Å
997R90.6Very high90.7Very high99 Ų9973.8 Ų73.837%0.37434%0.34SS..Hα-helixtrans-51.4-55.8173.9-174.8-172.1-157.9-108.4-3.9111.5L993 E994 K999 L1000 I1001 V1027 D1028 L1031L993-R997 WeakPolarHBondContact O-CB 3.49Å; L993-R997 PolarHBondContact O-N 3.19Å; E994-R997 PolarHBondContact O-N 2.83Å; R997-K999 VanDerWaalsContact C-N 3.26Å; R997-K999 PolarHBondContact O-N 3.42Å; R997-L1000 PolarHBondContact O-N 2.78Å; R997-I1001 HydrophobicContact CG-CD1 3.75Å; R997-I1001 HydrophobicContact CG-CG1 4.35Å; R997-I1001 WeakPolarHBondContact O-CG1 3.44Å; R997-I1001 PolarHBondContact O-N 3.47Å; R997-V1027 HydrophobicContact CB-CG1 4.16Å; R997-D1028 WeakPolarHBondContact CD-OD1 3.2Å; R997-D1028 VanDerWaalsContact CG-OD1 3.27Å; R997-D1028 WeakPolarHBondContact CG-OD1 3.23Å; R997-D1028 IonicContact CZ-OD1 3.48Å; R997-D1028 IonicContact CZ-OD2 3.83Å; R997-D1028 VanDerWaalsContact CZ-OD2 3.31Å; R997-D1028 IonicContact NE-OD1 3.26Å; R997-D1028 PolarHBondContact NE-OD1 3.4Å; R997-D1028 IonicContact NE-OD2 3.28Å; R997-D1028 PolarHBondContact NE-OD2 3.25Å; R997-D1028 IonicContact NH2-OD1 3.52Å; R997-D1028 IonicContact NH2-OD2 2.6Å; R997-D1028 PolarHBondContact NH2-OD2 2.87Å; R997-L1031 HydrophobicContact CB-CD1 4.49Å
998A91.1Very high90.5Very high60 Ų6077.5 Ų77.550%0.49636%0.357SS..Hα-helixtrans-56-39.2-178.700000112.9E994 R996 Q1002E994-A998 WeakPolarHBondContact O-CB 3.49Å; E994-A998 PolarHBondContact O-N 3.48Å; R996-A998 PolarHBondContact O-N 3.07Å; A998-Q1002 WeakPolarHBondContact O-CB 3.43Å; A998-Q1002 PolarHBondContact O-N 3.18Å
999K90.5Very high90.3Very high139 Ų13980.2 Ų80.260%0.60437%0.369SS*.Hα-helixtrans-69.2-39.7175.2-71.3175.5-179-177.40113.1K995 R996 R997 Q1002 V1003K995-K999 WeakPolarHBondContact O-CD 3.47Å; K995-K999 WeakPolarHBondContact O-CG 3.3Å; R996-K999 PolarHBondContact O-N 2.83Å; R997-K999 VanDerWaalsContact C-N 3.26Å; R997-K999 PolarHBondContact O-N 3.42Å; K999-Q1002 PolarHBondContact O-N 3.42Å; K999-V1003 WeakPolarHBondContact O-CB 3.43Å; K999-V1003 VanDerWaalsContact O-CG2 3.25Å; K999-V1003 WeakPolarHBondContact O-CG2 3.18Å; K999-V1003 PolarHBondContact O-N 2.84Å
1000L90.8Very high89.8Confident20 Ų2079.6 Ų79.611%0.10539%0.385CS..Hα-helixtrans-71-34.1178.3-64.1176.4000111.6R996 R997 V1003 K1004 A1020 V1024 V1027R996-L1000 HydrophobicContact CG-CD1 4.21Å; R996-L1000 WeakPolarHBondContact O-CG 3.03Å; R996-L1000 PolarHBondContact O-N 2.97Å; R997-L1000 PolarHBondContact O-N 2.78Å; L1000-V1003 PolarHBondContact O-N 3.45Å; L1000-K1004 WeakPolarHBondContact O-CB 3.2Å; L1000-K1004 PolarHBondContact O-N 3.49Å; L1000-A1020 HydrophobicContact CD2-CB 3.67Å; L1000-V1024 HydrophobicContact CB-CG2 3.49Å; L1000-V1024 VanDerWaalsContact CB-CG2 3.49Å; L1000-V1024 HydrophobicContact CD1-CG2 4.05Å; L1000-V1024 HydrophobicContact CG-CG2 4.38Å; L1000-V1027 HydrophobicContact CD1-CG2 4Å
1001I90.2Very high89.3Confident53 Ų5384.4 Ų84.427%0.27241%0.406SS..Hα-helixtrans-64.6-48.5169.9-67.4174000110.2R997 V1003 K1004 E1005R997-I1001 HydrophobicContact CG-CD1 3.75Å; R997-I1001 HydrophobicContact CG-CG1 4.35Å; R997-I1001 WeakPolarHBondContact O-CG1 3.44Å; R997-I1001 PolarHBondContact O-N 3.47Å; I1001-V1003 VanDerWaalsContact C-N 3.28Å; I1001-V1003 PolarHBondContact O-N 3.49Å; I1001-K1004 CarbonylContact O-C 3.5Å; I1001-K1004 WeakPolarHBondContact O-CA 3.38Å; I1001-K1004 WeakPolarHBondContact O-CB 3.46Å; I1001-K1004 PolarHBondContact O-N 3.37Å; I1001-E1005 PolarHBondContact O-N 2.78Å
1002Q89.9Confident88.8Confident114 Ų11488.7 Ų88.753%0.53343%0.431SS..Hα-helixtrans-55.4-43.5175.9-176.3178.121.200112.1A998 K999 E1005 E1006A998-Q1002 WeakPolarHBondContact O-CB 3.43Å; A998-Q1002 PolarHBondContact O-N 3.18Å; K999-Q1002 PolarHBondContact O-N 3.42Å; Q1002-E1005 PolarHBondContact O-N 3.39Å; Q1002-E1006 WeakPolarHBondContact O-CG 3.29Å; Q1002-E1006 PolarHBondContact O-N 2.67Å
1003V88.2Confident88.2Confident25 Ų2585.9 Ų85.915%0.15242%0.415CS..Hα-helixtrans-73.3-30.1178.3178.40000111.7K999 L1000 I1001 E1006 M1007 I1013 Q1017 I1021K999-V1003 WeakPolarHBondContact O-CB 3.43Å; K999-V1003 VanDerWaalsContact O-CG2 3.25Å; K999-V1003 WeakPolarHBondContact O-CG2 3.18Å; K999-V1003 PolarHBondContact O-N 2.84Å; L1000-V1003 PolarHBondContact O-N 3.45Å; I1001-V1003 VanDerWaalsContact C-N 3.28Å; I1001-V1003 PolarHBondContact O-N 3.49Å; V1003-E1006 PolarHBondContact O-N 2.88Å; V1003-M1007 PolarHBondContact O-N 2.81Å; V1003-I1013 HydrophobicContact CG1-CD1 4.05Å; V1003-I1013 HydrophobicContact CG1-CG2 4.09Å; V1003-I1013 WeakPolarHBondContact O-CD1 3.16Å; V1003-Q1017 HydrophobicContact CG1-CB 3.98Å; V1003-Q1017 HydrophobicContact CG1-CG 4.42Å; V1003-I1021 HydrophobicContact CG1-CD1 4.06Å; V1003-I1021 HydrophobicContact CG1-CG1 4.3Å
1004K87.9Confident87.8Confident82 Ų8290 Ų9036%0.35743%0.434SS..Hα-helixtrans-66.1-45170-178.8176.5178.7-71.70111.7L1000 I1001 E1006 M1007 E1008 I1021L1000-K1004 WeakPolarHBondContact O-CB 3.2Å; L1000-K1004 PolarHBondContact O-N 3.49Å; I1001-K1004 CarbonylContact O-C 3.5Å; I1001-K1004 WeakPolarHBondContact O-CA 3.38Å; I1001-K1004 WeakPolarHBondContact O-CB 3.46Å; I1001-K1004 PolarHBondContact O-N 3.37Å; K1004-E1006 VanDerWaalsContact C-N 3.31Å; K1004-E1006 PolarHBondContact O-N 3.42Å; K1004-M1007 WeakPolarHBondContact O-CA 3.46Å; K1004-M1007 VanDerWaalsContact O-CB 3.28Å; K1004-M1007 WeakPolarHBondContact O-CB 3.16Å; K1004-M1007 PolarHBondContact O-N 2.79Å; K1004-M1007 VanDerWaalsContact O-N 3.09Å; K1004-E1008 WeakPolarHBondContact CE-OE1 3.32Å; K1004-E1008 IonicContact NZ-OE1 2.61Å; K1004-E1008 PolarHBondContact NZ-OE1 3.47Å; K1004-E1008 IonicContact NZ-OE2 3.88Å; K1004-E1008 WeakPolarHBondContact O-CG 3.47Å; K1004-E1008 PolarHBondContact O-N 3.29Å; K1004-I1021 HydrophobicContact CB-CD1 4.34Å; K1004-I1021 HydrophobicContact CB-CG1 4.26Å; K1004-I1021 HydrophobicContact CB-CG2 3.93Å; K1004-I1021 HydrophobicContact CD-CG2 4.08Å; K1004-I1021 HydrophobicContact CG-CG2 4.01Å
1005E89.7Confident87.3Confident79 Ų7990.7 Ų90.737%0.36945%0.445SS..Hα-helixtrans-60.8-39.6172.9-74.7-179.7-130.400111.9I1001 Q1002 M1007 E1008 K1009I1001-E1005 PolarHBondContact O-N 2.78Å; Q1002-E1005 PolarHBondContact O-N 3.39Å; E1005-M1007 VanDerWaalsContact C-N 3.25Å; E1005-M1007 PolarHBondContact O-N 3.28Å; E1005-E1008 PolarHBondContact O-N 3.25Å; E1005-K1009 VanDerWaalsContact O-CB 3.29Å; E1005-K1009 WeakPolarHBondContact O-CB 3.2Å; E1005-K1009 VanDerWaalsContact O-CD 3.29Å; E1005-K1009 WeakPolarHBondContact O-CD 3.43Å; E1005-K1009 WeakPolarHBondContact O-CG 3.47Å; E1005-K1009 PolarHBondContact O-N 3.15Å; E1005-K1009 IonicContact OE2-NZ 2.64Å; E1005-K1009 PolarHBondContact OE2-NZ 2.99Å
1006E87.8Confident86.9Confident55 Ų5591 Ų9126%0.25745%0.448SS..Hα-helixtrans-65.7-29.8175.1-75.4-171.2130.300112.3Q1002 V1003 K1004 G1010 K1011 I1013Q1002-E1006 WeakPolarHBondContact O-CG 3.29Å; Q1002-E1006 PolarHBondContact O-N 2.67Å; V1003-E1006 PolarHBondContact O-N 2.88Å; K1004-E1006 VanDerWaalsContact C-N 3.31Å; K1004-E1006 PolarHBondContact O-N 3.42Å; E1006-G1010 PolarHBondContact O-N 3.06Å; E1006-K1011 HydrophobicContact CB-CD 4.06Å; E1006-K1011 HydrophobicContact CB-CG 4.46Å; E1006-K1011 HydrophobicContact CG-CD 4.04Å; E1006-K1011 WeakPolarHBondContact O-CB 3.3Å; E1006-K1011 PolarHBondContact O-N 3.33Å; E1006-K1011 IonicContact OE1-NZ 2.67Å; E1006-K1011 PolarHBondContact OE1-NZ 3.3Å; E1006-I1013 HydrophobicContact CB-CD1 3.84Å
1007M85.4Confident86.7Confident72 Ų7289 Ų8936%0.35544%0.444SS..Hα-helixtrans-70.8-42.6172.7-163.3174.965.800111.7V1003 K1004 E1005 K1009 G1010 I1013 K1018 I1021V1003-M1007 PolarHBondContact O-N 2.81Å; K1004-M1007 WeakPolarHBondContact O-CA 3.46Å; K1004-M1007 VanDerWaalsContact O-CB 3.28Å; K1004-M1007 WeakPolarHBondContact O-CB 3.16Å; K1004-M1007 PolarHBondContact O-N 2.79Å; K1004-M1007 VanDerWaalsContact O-N 3.09Å; E1005-M1007 VanDerWaalsContact C-N 3.25Å; E1005-M1007 PolarHBondContact O-N 3.28Å; M1007-K1009 VanDerWaalsContact C-N 3.3Å; M1007-G1010 PolarHBondContact O-N 2.92Å; M1007-I1013 HydrophobicContact CB-CD1 3.71Å; M1007-I1013 HydrophobicContact CG-CD1 4.4Å; M1007-I1013 VanDerWaalsContact N-CD1 3.26Å; M1007-K1018 HydrophobicContact SD-CD 4.21Å; M1007-K1018 HydrophobicContact SD-CG 4.11Å; M1007-I1021 HydrophobicContact CB-CD1 4.32Å; M1007-I1021 HydrophobicContact CE-CD1 4.09Å; M1007-I1021 HydrophobicContact SD-CD1 3.86Å
1008E87.1Confident86.5Confident125 Ų12588.8 Ų88.858%0.58445%0.446SS*.Hα-helixtrans-68.4-30.2176.2-71.316417700112K1004 E1005 G1010K1004-E1008 WeakPolarHBondContact CE-OE1 3.32Å; K1004-E1008 IonicContact NZ-OE1 2.61Å; K1004-E1008 PolarHBondContact NZ-OE1 3.47Å; K1004-E1008 IonicContact NZ-OE2 3.88Å; K1004-E1008 WeakPolarHBondContact O-CG 3.47Å; K1004-E1008 PolarHBondContact O-N 3.29Å; E1005-E1008 PolarHBondContact O-N 3.25Å; E1008-G1010 PolarHBondContact O-N 3.42Å
1009K88.6Confident86.2Confident137 Ų13792.4 Ų92.460%0.59645%0.45SS*.THydrogen-bonded Turntrans-79.710.5170.1-66.3160.2-166.5168.50113.1E1005 M1007 K1011E1005-K1009 VanDerWaalsContact O-CB 3.29Å; E1005-K1009 WeakPolarHBondContact O-CB 3.2Å; E1005-K1009 VanDerWaalsContact O-CD 3.29Å; E1005-K1009 WeakPolarHBondContact O-CD 3.43Å; E1005-K1009 WeakPolarHBondContact O-CG 3.47Å; E1005-K1009 PolarHBondContact O-N 3.15Å; E1005-K1009 IonicContact OE2-NZ 2.64Å; E1005-K1009 PolarHBondContact OE2-NZ 2.99Å; M1007-K1009 VanDerWaalsContact C-N 3.3Å; K1009-K1011 PolarHBondContact O-N 3Å
1010G81.9Confident86Confident66 Ų6687.1 Ų87.168%0.6843%0.433SS*.THydrogen-bonded Turntrans74.414.817100000116.1E1006 M1007 E1008E1006-G1010 PolarHBondContact O-N 3.06Å; M1007-G1010 PolarHBondContact O-N 2.92Å; E1008-G1010 PolarHBondContact O-N 3.42Å
1011K82.5Confident85.8Confident116 Ų11687.2 Ų87.250%0.50443%0.433SS..  trans-72.4141.3175.4-59.7-167.8-173.3-179.80111E1006 K1009 I1013E1006-K1011 HydrophobicContact CB-CD 4.06Å; E1006-K1011 HydrophobicContact CB-CG 4.46Å; E1006-K1011 HydrophobicContact CG-CD 4.04Å; E1006-K1011 WeakPolarHBondContact O-CB 3.3Å; E1006-K1011 PolarHBondContact O-N 3.33Å; E1006-K1011 IonicContact OE1-NZ 2.67Å; E1006-K1011 PolarHBondContact OE1-NZ 3.3Å; K1009-K1011 PolarHBondContact O-N 3Å; K1011-I1013 PolarHBondContact O-N 3.32Å
1012E79.9Confident85.6Confident201 Ų20191.3 Ų91.394%0.93945%0.451SS*.  trans-65.7120.7168.5-67.7-164.3157.500110.4
1013I80.4Confident85.4Confident19 Ų1992.6 Ų92.610%0.09745%0.451CS..  trans-124.1134-172.7-79.2173.6000109.3V1003 E1006 M1007 K1011 Q1017 K1018V1003-I1013 HydrophobicContact CG1-CD1 4.05Å; V1003-I1013 HydrophobicContact CG1-CG2 4.09Å; V1003-I1013 WeakPolarHBondContact O-CD1 3.16Å; E1006-I1013 HydrophobicContact CB-CD1 3.84Å; M1007-I1013 HydrophobicContact CB-CD1 3.71Å; M1007-I1013 HydrophobicContact CG-CD1 4.4Å; M1007-I1013 VanDerWaalsContact N-CD1 3.26Å; K1011-I1013 PolarHBondContact O-N 3.32Å; I1013-Q1017 HydrophobicContact CG2-CB 3.42Å; I1013-Q1017 VanDerWaalsContact CG2-CB 3.42Å; I1013-Q1017 HydrophobicContact CG2-CG 4.42Å; I1013-K1018 HydrophobicContact CG2-CG 3.9Å; I1013-K1018 WeakPolarHBondContact O-CE 2.9Å
1014H83.6Confident85.4Confident100 Ų10092.5 Ų92.546%0.46345%0.451SS..  trans-57.3141.8-174.5-164.2-117.4000110.8E1016 Q1017 K1018H1014-E1016 IonicContact CE1-OE2 3.93Å; H1014-E1016 PolarHBondContact CE1-OE2 2.98Å; H1014-E1016 VanDerWaalsContact CE1-OE2 3.27Å; H1014-E1016 IonicContact ND1-OE2 2.67Å; H1014-E1016 PolarHBondContact ND1-OE2 3.12Å; H1014-E1016 PolarHBondContact O-N 3.49Å; H1014-E1016 VanDerWaalsContact O-N 3.09Å; H1014-Q1017 HydrophobicContact CB-CB 4.39Å; H1014-Q1017 HydrophobicContact CB-CG 4.12Å; H1014-Q1017 VanDerWaalsContact CB-OE1 3.23Å; H1014-Q1017 WeakPolarHBondContact O-CA 3.17Å; H1014-Q1017 VanDerWaalsContact O-CB 3.31Å; H1014-Q1017 WeakPolarHBondContact O-CB 3.28Å; H1014-Q1017 PolarHBondContact O-N 3.39Å; H1014-K1018 PolarHBondContact O-N 2.77Å; H1014-K1018 VanDerWaalsContact O-N 3.1Å
1015P83.7Confident85.4Confident84 Ų8492.1 Ų92.155%0.54546%0.462SS..Hα-helixtrans-56.6-29.9-179.319.4-33.1000113.8K1018 K1019P1015-K1018 PolarHBondContact O-N 2.77Å; P1015-K1019 WeakPolarHBondContact O-CG 3.46Å; P1015-K1019 PolarHBondContact O-N 3.47Å
1016E85Confident85.5Confident140 Ų14092 Ų9265%0.65446%0.462SS*.Hα-helixtrans-68.4-33.2172.6-60.9179.514600113.2H1014 A1020H1014-E1016 IonicContact CE1-OE2 3.93Å; H1014-E1016 PolarHBondContact CE1-OE2 2.98Å; H1014-E1016 VanDerWaalsContact CE1-OE2 3.27Å; H1014-E1016 IonicContact ND1-OE2 2.67Å; H1014-E1016 PolarHBondContact ND1-OE2 3.12Å; H1014-E1016 PolarHBondContact O-N 3.49Å; H1014-E1016 VanDerWaalsContact O-N 3.09Å; E1016-A1020 WeakPolarHBondContact O-CB 3.27Å; E1016-A1020 PolarHBondContact O-N 2.86Å
1017Q86Confident85.6Confident82 Ų8289.3 Ų89.338%0.38345%0.45SS..Hα-helixtrans-70.9-39.2175.4-72.3170.9-49.100110.6V1003 I1013 H1014 A1020 I1021V1003-Q1017 HydrophobicContact CG1-CB 3.98Å; V1003-Q1017 HydrophobicContact CG1-CG 4.42Å; I1013-Q1017 HydrophobicContact CG2-CB 3.42Å; I1013-Q1017 VanDerWaalsContact CG2-CB 3.42Å; I1013-Q1017 HydrophobicContact CG2-CG 4.42Å; H1014-Q1017 HydrophobicContact CB-CB 4.39Å; H1014-Q1017 HydrophobicContact CB-CG 4.12Å; H1014-Q1017 VanDerWaalsContact CB-OE1 3.23Å; H1014-Q1017 WeakPolarHBondContact O-CA 3.17Å; H1014-Q1017 VanDerWaalsContact O-CB 3.31Å; H1014-Q1017 WeakPolarHBondContact O-CB 3.28Å; H1014-Q1017 PolarHBondContact O-N 3.39Å; Q1017-A1020 WeakPolarHBondContact O-CA 3.19Å; Q1017-A1020 WeakPolarHBondContact O-CB 3.39Å; Q1017-A1020 PolarHBondContact O-N 3.06Å; Q1017-I1021 WeakPolarHBondContact O-CG1 3.02Å; Q1017-I1021 PolarHBondContact O-N 3Å
1018K85.7Confident85.8Confident96 Ų9687.8 Ų87.842%0.41744%0.443SS..Hα-helixtrans-60-48.5172-61.4-166.6178.5-174.70111.4M1007 I1013 H1014 P1015 A1020 I1021 E1022M1007-K1018 HydrophobicContact SD-CD 4.21Å; M1007-K1018 HydrophobicContact SD-CG 4.11Å; I1013-K1018 HydrophobicContact CG2-CG 3.9Å; I1013-K1018 WeakPolarHBondContact O-CE 2.9Å; H1014-K1018 PolarHBondContact O-N 2.77Å; H1014-K1018 VanDerWaalsContact O-N 3.1Å; P1015-K1018 PolarHBondContact O-N 2.77Å; K1018-A1020 PolarHBondContact O-N 2.93Å; K1018-A1020 VanDerWaalsContact O-N 3.1Å; K1018-I1021 WeakPolarHBondContact O-CB 3.03Å; K1018-I1021 PolarHBondContact O-N 3.3Å; K1018-E1022 PolarHBondContact O-N 3.5Å
1019K86.4Confident86.1Confident135 Ų13589.6 Ų89.659%0.58745%0.445SS*.Hα-helixtrans-61.5-16.6172.1-71.1179.7178-176.40114.9P1015P1015-K1019 WeakPolarHBondContact O-CG 3.46Å; P1015-K1019 PolarHBondContact O-N 3.47Å
1020A86Confident86.2Confident29 Ų2986.1 Ų86.124%0.2443%0.431CS..Hα-helixtrans-89.3-33.3172.500000112.3L1000 E1016 Q1017 K1018 E1022 R1023L1000-A1020 HydrophobicContact CD2-CB 3.67Å; E1016-A1020 WeakPolarHBondContact O-CB 3.27Å; E1016-A1020 PolarHBondContact O-N 2.86Å; Q1017-A1020 WeakPolarHBondContact O-CA 3.19Å; Q1017-A1020 WeakPolarHBondContact O-CB 3.39Å; Q1017-A1020 PolarHBondContact O-N 3.06Å; K1018-A1020 PolarHBondContact O-N 2.93Å; K1018-A1020 VanDerWaalsContact O-N 3.1Å; A1020-E1022 VanDerWaalsContact C-N 3.34Å; A1020-R1023 PolarHBondContact O-N 3.5Å
1021I86.5Confident86.7Confident21 Ų2183.6 Ų83.611%0.10840%0.402CS..Hα-helixtrans-62.8-41.9170.7-64.5161.7000110.3V1003 K1004 M1007 Q1017 K1018 R1023 V1024V1003-I1021 HydrophobicContact CG1-CD1 4.06Å; V1003-I1021 HydrophobicContact CG1-CG1 4.3Å; K1004-I1021 HydrophobicContact CB-CD1 4.34Å; K1004-I1021 HydrophobicContact CB-CG1 4.26Å; K1004-I1021 HydrophobicContact CB-CG2 3.93Å; K1004-I1021 HydrophobicContact CD-CG2 4.08Å; K1004-I1021 HydrophobicContact CG-CG2 4.01Å; M1007-I1021 HydrophobicContact CB-CD1 4.32Å; M1007-I1021 HydrophobicContact CE-CD1 4.09Å; M1007-I1021 HydrophobicContact SD-CD1 3.86Å; Q1017-I1021 WeakPolarHBondContact O-CG1 3.02Å; Q1017-I1021 PolarHBondContact O-N 3Å; K1018-I1021 WeakPolarHBondContact O-CB 3.03Å; K1018-I1021 PolarHBondContact O-N 3.3Å; I1021-R1023 PolarHBondContact O-N 2.96Å; I1021-V1024 WeakPolarHBondContact O-CB 3.35Å; I1021-V1024 VanDerWaalsContact O-CG2 3.23Å; I1021-V1024 WeakPolarHBondContact O-CG2 3.28Å; I1021-V1024 PolarHBondContact O-N 3.46Å
1022E86.1Confident87.1Confident140 Ų14084 Ų8465%0.65441%0.406SS*.THydrogen-bonded Turntrans-52.7-27.2174.6-71.7161.2-158.500112.8K1018 A1020K1018-E1022 PolarHBondContact O-N 3.5Å; A1020-E1022 VanDerWaalsContact C-N 3.34Å
1023R85.5Confident87.6Confident140 Ų14080.3 Ų80.353%0.52839%0.387SS..THydrogen-bonded Turntrans-96.113179.3-61.5177.7-175.7-126.66.3114.3A1020 I1021 A1025 E1026 V1027A1020-R1023 PolarHBondContact O-N 3.5Å; I1021-R1023 PolarHBondContact O-N 2.96Å; R1023-A1025 VanDerWaalsContact C-N 3.27Å; R1023-A1025 PolarHBondContact O-N 3.46Å; R1023-E1026 HydrophobicContact CB-CB 4.18Å; R1023-E1026 WeakPolarHBondContact CD-OE2 3.24Å; R1023-E1026 IonicContact NH1-OE2 3.27Å; R1023-E1026 PolarHBondContact NH1-OE2 2.81Å; R1023-E1026 WeakPolarHBondContact O-CB 3.49Å; R1023-E1026 PolarHBondContact O-N 2.99Å; R1023-E1026 VanDerWaalsContact O-N 3.17Å; R1023-V1027 PolarHBondContact O-N 3.31Å; R1023-V1027 VanDerWaalsContact O-N 3.07Å
1024V88.2Confident88.1Confident24 Ų2480 Ų8015%0.14539%0.386CS..Hα-helixtrans-57.6-42.4171.9167.20000110.8L1000 I1021 E1026 V1027 D1028L1000-V1024 HydrophobicContact CB-CG2 3.49Å; L1000-V1024 VanDerWaalsContact CB-CG2 3.49Å; L1000-V1024 HydrophobicContact CD1-CG2 4.05Å; L1000-V1024 HydrophobicContact CG-CG2 4.38Å; I1021-V1024 WeakPolarHBondContact O-CB 3.35Å; I1021-V1024 VanDerWaalsContact O-CG2 3.23Å; I1021-V1024 WeakPolarHBondContact O-CG2 3.28Å; I1021-V1024 PolarHBondContact O-N 3.46Å; V1024-E1026 VanDerWaalsContact C-N 3.32Å; V1024-E1026 PolarHBondContact O-N 3.14Å; V1024-V1027 PolarHBondContact O-N 3.13Å; V1024-V1027 VanDerWaalsContact O-N 3.14Å; V1024-D1028 PolarHBondContact O-N 3.35Å
1025A88.5Confident88.6Confident73 Ų7380.8 Ų80.860%0.60339%0.385SS*.Hα-helixtrans-61.9-36.8176.200000112.9R1023 D1028 Y1029R1023-A1025 VanDerWaalsContact C-N 3.27Å; R1023-A1025 PolarHBondContact O-N 3.46Å; A1025-D1028 PolarHBondContact O-N 3.02Å; A1025-Y1029 WeakPolarHBondContact O-CB 3.37Å; A1025-Y1029 PolarHBondContact O-N 2.84Å
1026E89.9Confident88.9Confident76 Ų7679.7 Ų79.736%0.35538%0.375SS..Hα-helixtrans-63.5-41.1174.3-161.5-154.6132.200111.1R1023 V1024 Q1030R1023-E1026 HydrophobicContact CB-CB 4.18Å; R1023-E1026 WeakPolarHBondContact CD-OE2 3.24Å; R1023-E1026 IonicContact NH1-OE2 3.27Å; R1023-E1026 PolarHBondContact NH1-OE2 2.81Å; R1023-E1026 WeakPolarHBondContact O-CB 3.49Å; R1023-E1026 PolarHBondContact O-N 2.99Å; R1023-E1026 VanDerWaalsContact O-N 3.17Å; V1024-E1026 VanDerWaalsContact C-N 3.32Å; V1024-E1026 PolarHBondContact O-N 3.14Å; E1026-Q1030 WeakPolarHBondContact O-CB 3.21Å; E1026-Q1030 VanDerWaalsContact O-CG 3.23Å; E1026-Q1030 WeakPolarHBondContact O-CG 3.29Å; E1026-Q1030 PolarHBondContact O-N 3.06Å; E1026-Q1030 PolarHBondContact OE1-NE2 2.78Å
1027V91.2Very high89.3Confident0 Ų076 Ų760%036%0.359CS..Hα-helixtrans-71.4-38.7178.4173.90000111.7L993 R996 R997 L1000 R1023 V1024 Q1030 L1031L993-V1027 HydrophobicContact CD2-CG1 4.41Å; R996-V1027 HydrophobicContact CB-CG1 4.29Å; R996-V1027 HydrophobicContact CG-CG1 4.41Å; R996-V1027 HydrophobicContact CG-CG2 4.26Å; R997-V1027 HydrophobicContact CB-CG1 4.16Å; L1000-V1027 HydrophobicContact CD1-CG2 4Å; R1023-V1027 PolarHBondContact O-N 3.31Å; R1023-V1027 VanDerWaalsContact O-N 3.07Å; V1024-V1027 PolarHBondContact O-N 3.13Å; V1024-V1027 VanDerWaalsContact O-N 3.14Å; V1027-Q1030 PolarHBondContact O-N 2.79Å; V1027-L1031 WeakPolarHBondContact O-CB 3.13Å; V1027-L1031 PolarHBondContact O-N 2.81Å
1028D90Very high89.5Confident40 Ų4073.4 Ų73.421%0.21435%0.348CS..Hα-helixtrans-68.5-43.5178.1-78.79.2000111.1R997 V1024 A1025 L1031 E1032R997-D1028 WeakPolarHBondContact CD-OD1 3.2Å; R997-D1028 VanDerWaalsContact CG-OD1 3.27Å; R997-D1028 WeakPolarHBondContact CG-OD1 3.23Å; R997-D1028 IonicContact CZ-OD1 3.48Å; R997-D1028 IonicContact CZ-OD2 3.83Å; R997-D1028 VanDerWaalsContact CZ-OD2 3.31Å; R997-D1028 IonicContact NE-OD1 3.26Å; R997-D1028 PolarHBondContact NE-OD1 3.4Å; R997-D1028 IonicContact NE-OD2 3.28Å; R997-D1028 PolarHBondContact NE-OD2 3.25Å; R997-D1028 IonicContact NH2-OD1 3.52Å; R997-D1028 IonicContact NH2-OD2 2.6Å; R997-D1028 PolarHBondContact NH2-OD2 2.87Å; V1024-D1028 PolarHBondContact O-N 3.35Å; A1025-D1028 PolarHBondContact O-N 3.02Å; D1028-L1031 WeakPolarHBondContact O-CB 3.27Å; D1028-L1031 PolarHBondContact O-N 3.32Å; D1028-L1031 VanDerWaalsContact O-N 3.16Å; D1028-E1032 PolarHBondContact O-N 3.25Å
1029Y91.9Very high89.6Confident162 Ų16275 Ų7564%0.63536%0.355SS*.Hα-helixtrans-60.1-45.7171.8178.2-101.1000112.5A1025 L1031 E1032 F1033A1025-Y1029 WeakPolarHBondContact O-CB 3.37Å; A1025-Y1029 PolarHBondContact O-N 2.84Å; Y1029-L1031 PolarHBondContact O-N 3.02Å; Y1029-E1032 PolarHBondContact O-N 3.44Å; Y1029-F1033 WeakPolarHBondContact O-CB 3.44Å; Y1029-F1033 PolarHBondContact O-N 2.83Å
1030Q91.1Very high89.7Confident65 Ų6573.5 Ų73.530%0.30435%0.353SS..Hα-helixtrans-62-32.5175.3-76.7170.823.600112.6L993 E1026 V1027 S1034L993-Q1030 HydrophobicContact CD1-CB 4.06Å; L993-Q1030 WeakPolarHBondContact CD1-O 3.49Å; L993-Q1030 HydrophobicContact CD2-CB 4.28Å; E1026-Q1030 WeakPolarHBondContact O-CB 3.21Å; E1026-Q1030 VanDerWaalsContact O-CG 3.23Å; E1026-Q1030 WeakPolarHBondContact O-CG 3.29Å; E1026-Q1030 PolarHBondContact O-N 3.06Å; E1026-Q1030 PolarHBondContact OE1-NE2 2.78Å; V1027-Q1030 PolarHBondContact O-N 2.79Å; Q1030-S1034 VanDerWaalsContact O-CB 3.24Å; Q1030-S1034 WeakPolarHBondContact O-CB 3.3Å; Q1030-S1034 PolarHBondContact O-N 3Å; Q1030-S1034 PolarHBondContact O-OG 2.87Å
1031L92.1Very high89.7Confident13 Ų1373.3 Ų73.37%0.06835%0.349CS..Hα-helixtrans-75.7-42-179.3177.4160.8000111.3L993 E994 R997 V1027 D1028 Y1029 S1034 R1035L993-L1031 HydrophobicContact CB-CB 4.11Å; L993-L1031 HydrophobicContact CB-CD1 4.29Å; L993-L1031 HydrophobicContact CB-CG 4.41Å; L993-L1031 HydrophobicContact CD1-CB 4.32Å; E994-L1031 HydrophobicContact CB-CD1 4.47Å; E994-L1031 HydrophobicContact CG-CD1 3.7Å; E994-L1031 HydrophobicContact CG-CG 4.38Å; R997-L1031 HydrophobicContact CB-CD1 4.49Å; V1027-L1031 WeakPolarHBondContact O-CB 3.13Å; V1027-L1031 PolarHBondContact O-N 2.81Å; D1028-L1031 WeakPolarHBondContact O-CB 3.27Å; D1028-L1031 PolarHBondContact O-N 3.32Å; D1028-L1031 VanDerWaalsContact O-N 3.16Å; Y1029-L1031 PolarHBondContact O-N 3.02Å; L1031-S1034 PolarHBondContact O-N 3.44Å; L1031-R1035 VanDerWaalsContact CD2-CZ 3.5Å; L1031-R1035 WeakPolarHBondContact O-CG 3.43Å; L1031-R1035 PolarHBondContact O-N 3.46Å
1032E91.2Very high89.6Confident124 Ų12475.6 Ų75.658%0.57936%0.361SS*.Hα-helixtrans-63.8-51.5173-173.5158-124.100111.1D1028 Y1029 S1034 R1035 D1036D1028-E1032 PolarHBondContact O-N 3.25Å; Y1029-E1032 PolarHBondContact O-N 3.44Å; E1032-S1034 VanDerWaalsContact C-N 3.27Å; E1032-S1034 PolarHBondContact O-N 3.47Å; E1032-R1035 WeakPolarHBondContact O-CA 3.37Å; E1032-R1035 WeakPolarHBondContact O-CB 3.29Å; E1032-R1035 PolarHBondContact O-N 2.86Å; E1032-D1036 PolarHBondContact O-N 3.32Å
1033F91.6Very high89.3Confident123 Ų12371.6 Ų71.654%0.53935%0.348SS..Hα-helixtrans-55-40.8172.9176.7-99.7000112.6Y1029 R1035 D1036 L1037Y1029-F1033 WeakPolarHBondContact O-CB 3.44Å; Y1029-F1033 PolarHBondContact O-N 2.83Å; F1033-R1035 VanDerWaalsContact C-N 3.34Å; F1033-R1035 PolarHBondContact O-N 3.27Å; F1033-D1036 PolarHBondContact O-N 2.79Å; F1033-L1037 HydrophobicContact CE1-CD2 4.1Å; F1033-L1037 HydrophobicContact CZ-CD2 4.38Å; F1033-L1037 WeakPolarHBondContact O-CB 3.34Å; F1033-L1037 PolarHBondContact O-N 3.38Å
1034S91.2Very high88.9Confident12 Ų1268.3 Ų68.38%0.08434%0.344CS..Hα-helixtrans-66.8-33.4176.8-63.90000113L993 Q1030 L1031 E1032 L1038L993-S1034 WeakPolarHBondContact CD1-OG 3.15Å; Q1030-S1034 VanDerWaalsContact O-CB 3.24Å; Q1030-S1034 WeakPolarHBondContact O-CB 3.3Å; Q1030-S1034 PolarHBondContact O-N 3Å; Q1030-S1034 PolarHBondContact O-OG 2.87Å; L1031-S1034 PolarHBondContact O-N 3.44Å; E1032-S1034 VanDerWaalsContact C-N 3.27Å; E1032-S1034 PolarHBondContact O-N 3.47Å; S1034-L1038 WeakPolarHBondContact O-CB 3.42Å; S1034-L1038 PolarHBondContact O-N 3.37Å; S1034-L1038 VanDerWaalsContact O-N 3.1Å
1035R92.1Very high88.2Confident117 Ų11769.3 Ų69.344%0.44235%0.35SS..Hα-helixtrans-71.8-42.8175.9-75.9172.7175179.8-3.4111.3I990 E994 L1031 E1032 F1033 L1038 K1039I990-R1035 HydrophobicContact CD1-CG 4.04Å; I990-R1035 HydrophobicContact CG1-CG 4.29Å; I990-R1035 HydrophobicContact CG2-CG 4.29Å; E994-R1035 IonicContact OE1-CZ 3.35Å; E994-R1035 IonicContact OE1-NE 3.98Å; E994-R1035 IonicContact OE1-NH2 2.65Å; E994-R1035 PolarHBondContact OE1-NH2 2.74Å; L1031-R1035 VanDerWaalsContact CD2-CZ 3.5Å; L1031-R1035 WeakPolarHBondContact O-CG 3.43Å; L1031-R1035 PolarHBondContact O-N 3.46Å; E1032-R1035 WeakPolarHBondContact O-CA 3.37Å; E1032-R1035 WeakPolarHBondContact O-CB 3.29Å; E1032-R1035 PolarHBondContact O-N 2.86Å; F1033-R1035 VanDerWaalsContact C-N 3.34Å; F1033-R1035 PolarHBondContact O-N 3.27Å; R1035-L1038 WeakPolarHBondContact O-CB 3.35Å; R1035-L1038 PolarHBondContact O-N 3.35Å; R1035-K1039 WeakPolarHBondContact O-CG 3.44Å; R1035-K1039 PolarHBondContact O-N 2.86Å
1036D91.8Very high87.3Confident61 Ų6172.6 Ų72.633%0.32635%0.353SS..Hα-helixtrans-71.4-36.6178-72.1-11.9000112.3E1032 F1033 L1038 K1039 N1040E1032-D1036 PolarHBondContact O-N 3.32Å; F1033-D1036 PolarHBondContact O-N 2.79Å; D1036-L1038 VanDerWaalsContact C-N 3.27Å; D1036-L1038 PolarHBondContact O-N 3.34Å; D1036-K1039 WeakPolarHBondContact O-CB 3.28Å; D1036-K1039 PolarHBondContact O-N 2.78Å; D1036-K1039 WeakPolarHBondContact OD1-CD 3.19Å; D1036-K1039 WeakPolarHBondContact OD1-CE 3.26Å; D1036-K1039 IonicContact OD1-NZ 3.29Å; D1036-K1039 PolarHBondContact OD1-NZ 3.23Å; D1036-N1040 WeakPolarHBondContact O-CB 3.32Å; D1036-N1040 PolarHBondContact O-N 2.82Å; D1036-N1040 PolarHBondContact O-OD1 2.83Å
1037L92Very high86.2Confident64 Ų6473.8 Ų73.834%0.33536%0.362SS..Hα-helixtrans-61.5-35.7169-176.557.8000111.8L986 F1033 N1040 V1041L986-L1037 HydrophobicContact CD1-CG 4.1Å; L986-L1037 HydrophobicContact CD2-CD2 3.77Å; L986-L1037 HydrophobicContact CD2-CG 4.05Å; F1033-L1037 HydrophobicContact CE1-CD2 4.1Å; F1033-L1037 HydrophobicContact CZ-CD2 4.38Å; F1033-L1037 WeakPolarHBondContact O-CB 3.34Å; F1033-L1037 PolarHBondContact O-N 3.38Å; L1037-N1040 PolarHBondContact O-N 3.41Å; L1037-V1041 HydrophobicContact CD1-CG2 4.43Å; L1037-V1041 WeakPolarHBondContact O-CB 3.37Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.43Å; L1037-V1041 PolarHBondContact O-N 2.8Å
1038L90Very high84.7Confident26 Ų2680.4 Ų80.414%0.13639%0.392CS..Hα-helixtrans-68.7-40.6172.1179.761.2000112.3K983 L986 E987 I990 S1034 R1035 D1036 N1040 V1041 L1042K983-L1038 HydrophobicContact CG-CD1 4.2Å; L986-L1038 HydrophobicContact CB-CB 4.36Å; L986-L1038 HydrophobicContact CB-CD1 4.09Å; L986-L1038 HydrophobicContact CD1-CB 4.41Å; L986-L1038 HydrophobicContact CD1-CD1 4.36Å; E987-L1038 HydrophobicContact CG-CD2 4.2Å; I990-L1038 HydrophobicContact CD1-CB 4.02Å; I990-L1038 HydrophobicContact CD1-CD2 3.56Å; I990-L1038 HydrophobicContact CD1-CG 4.44Å; S1034-L1038 WeakPolarHBondContact O-CB 3.42Å; S1034-L1038 PolarHBondContact O-N 3.37Å; S1034-L1038 VanDerWaalsContact O-N 3.1Å; R1035-L1038 WeakPolarHBondContact O-CB 3.35Å; R1035-L1038 PolarHBondContact O-N 3.35Å; D1036-L1038 VanDerWaalsContact C-N 3.27Å; D1036-L1038 PolarHBondContact O-N 3.34Å; L1038-N1040 VanDerWaalsContact C-N 3.33Å; L1038-N1040 PolarHBondContact O-N 3.12Å; L1038-V1041 PolarHBondContact O-N 2.85Å; L1038-L1042 HydrophobicContact CD1-CD1 4.15Å; L1038-L1042 HydrophobicContact CD1-CG 4.11Å; L1038-L1042 HydrophobicContact CG-CD1 4.02Å; L1038-L1042 HydrophobicContact CG-CG 4.43Å; L1038-L1042 WeakPolarHBondContact O-CB 3.33Å; L1038-L1042 WeakPolarHBondContact O-CG 3.2Å; L1038-L1042 PolarHBondContact O-N 3.39Å
1039K89.1Confident82.8Confident130 Ų13080.3 Ų80.357%0.56539%0.392SS*.Hα-helixtrans-57.7-47.2171.8-65.7172.8-168.6163.80110.9R1035 D1036 L1042 S1043R1035-K1039 WeakPolarHBondContact O-CG 3.44Å; R1035-K1039 PolarHBondContact O-N 2.86Å; D1036-K1039 WeakPolarHBondContact O-CB 3.28Å; D1036-K1039 PolarHBondContact O-N 2.78Å; D1036-K1039 WeakPolarHBondContact OD1-CD 3.19Å; D1036-K1039 WeakPolarHBondContact OD1-CE 3.26Å; D1036-K1039 IonicContact OD1-NZ 3.29Å; D1036-K1039 PolarHBondContact OD1-NZ 3.23Å; K1039-L1042 PolarHBondContact O-N 3.3Å; K1039-S1043 PolarHBondContact O-N 3.3Å
1040N87.9Confident80.9Confident103 Ų10374 Ų7455%0.55138%0.376SS*.Hα-helixtrans-67.1-39.5-178.4-66.8-9.1000111.9D1036 L1037 L1038 S1043 V1044D1036-N1040 WeakPolarHBondContact O-CB 3.32Å; D1036-N1040 PolarHBondContact O-N 2.82Å; D1036-N1040 PolarHBondContact O-OD1 2.83Å; L1037-N1040 PolarHBondContact O-N 3.41Å; L1038-N1040 VanDerWaalsContact C-N 3.33Å; L1038-N1040 PolarHBondContact O-N 3.12Å; N1040-S1043 PolarHBondContact O-N 2.88Å; N1040-V1044 WeakPolarHBondContact O-CB 3.33Å; N1040-V1044 VanDerWaalsContact O-CG2 3.31Å; N1040-V1044 WeakPolarHBondContact O-CG2 3.48Å; N1040-V1044 PolarHBondContact O-N 3.45Å
1041V85.2Confident79Confident26 Ų2678.7 Ų78.716%0.15840%0.396CS..Hα-helixtrans-66.3-36.9171.8166.60000111.6I982 L986 L1037 L1038 V1044 V1045I982-V1041 HydrophobicContact CG2-CG1 3.95Å; I982-V1041 HydrophobicContact CG2-CG2 4.05Å; L986-V1041 HydrophobicContact CD1-CB 4.04Å; L986-V1041 HydrophobicContact CD1-CG1 4.39Å; L986-V1041 HydrophobicContact CD1-CG2 3.77Å; L1037-V1041 HydrophobicContact CD1-CG2 4.43Å; L1037-V1041 WeakPolarHBondContact O-CB 3.37Å; L1037-V1041 WeakPolarHBondContact O-CG2 3.43Å; L1037-V1041 PolarHBondContact O-N 2.8Å; L1038-V1041 PolarHBondContact O-N 2.85Å; V1041-V1044 PolarHBondContact O-N 2.82Å; V1041-V1045 HydrophobicContact CG1-CG2 4.36Å; V1041-V1045 VanDerWaalsContact O-CB 3.32Å; V1041-V1045 WeakPolarHBondContact O-CB 3.44Å; V1041-V1045 VanDerWaalsContact O-CG2 3.25Å; V1041-V1045 WeakPolarHBondContact O-CG2 3.29Å; V1041-V1045 PolarHBondContact O-N 3.48Å
1042L84.9Confident77.3Confident69 Ų6980.9 Ų80.936%0.36141%0.411SS..Hα-helixtrans-67.6-39.9175.2-73.4170.6000112.3K983 L1038 K1039 Q1046K983-L1042 HydrophobicContact CD-CD2 3.86Å; K983-L1042 HydrophobicContact CG-CD2 4.36Å; L1038-L1042 HydrophobicContact CD1-CD1 4.15Å; L1038-L1042 HydrophobicContact CD1-CG 4.11Å; L1038-L1042 HydrophobicContact CG-CD1 4.02Å; L1038-L1042 HydrophobicContact CG-CG 4.43Å; L1038-L1042 WeakPolarHBondContact O-CB 3.33Å; L1038-L1042 WeakPolarHBondContact O-CG 3.2Å; L1038-L1042 PolarHBondContact O-N 3.39Å; K1039-L1042 PolarHBondContact O-N 3.3Å; L1042-Q1046 WeakPolarHBondContact O-CB 3.31Å; L1042-Q1046 PolarHBondContact O-N 3.25Å
1043S80Confident75.7Confident55 Ų5577.8 Ų77.839%0.38540%0.4SS..Hα-helixtrans-62.3-53.5169.5154.30000110.7K1039 N1040 V1045 Q1046 D1047K1039-S1043 PolarHBondContact O-N 3.3Å; N1040-S1043 PolarHBondContact O-N 2.88Å; S1043-V1045 VanDerWaalsContact C-N 3.25Å; S1043-V1045 PolarHBondContact O-N 3.48Å; S1043-V1045 VanDerWaalsContact O-N 3.17Å; S1043-Q1046 CarbonylContact O-C 3.6Å; S1043-Q1046 WeakPolarHBondContact O-CA 3.45Å; S1043-Q1046 PolarHBondContact O-N 2.87Å; S1043-D1047 VanDerWaalsContact O-CB 3.3Å; S1043-D1047 WeakPolarHBondContact O-CB 3.46Å; S1043-D1047 PolarHBondContact O-N 2.96Å; S1043-D1047 PolarHBondContact OG-OD2 2.87Å
1044V77.8Confident74.4Confident71 Ų7179.1 Ų79.143%0.4340%0.403SS..Hα-helixtrans-56.2-39.5178.5169.30000112N1040 V1041 Q1048N1040-V1044 WeakPolarHBondContact O-CB 3.33Å; N1040-V1044 VanDerWaalsContact O-CG2 3.31Å; N1040-V1044 WeakPolarHBondContact O-CG2 3.48Å; N1040-V1044 PolarHBondContact O-N 3.45Å; V1041-V1044 PolarHBondContact O-N 2.82Å; V1044-Q1048 HydrophobicContact CG1-CG 4.32Å; V1044-Q1048 WeakPolarHBondContact O-CA 3.17Å; V1044-Q1048 WeakPolarHBondContact O-CB 3.42Å; V1044-Q1048 WeakPolarHBondContact O-CG 3.23Å; V1044-Q1048 PolarHBondContact O-N 2.97Å
1045V72.8Confident73.3Confident46 Ų4684.9 Ų84.928%0.27942%0.424SS..Hα-helixtrans-68.6-42.3172.2169.10000111.7V1041 S1043 L1049 G1050V1041-V1045 HydrophobicContact CG1-CG2 4.36Å; V1041-V1045 VanDerWaalsContact O-CB 3.32Å; V1041-V1045 WeakPolarHBondContact O-CB 3.44Å; V1041-V1045 VanDerWaalsContact O-CG2 3.25Å; V1041-V1045 WeakPolarHBondContact O-CG2 3.29Å; V1041-V1045 PolarHBondContact O-N 3.48Å; S1043-V1045 VanDerWaalsContact C-N 3.25Å; S1043-V1045 PolarHBondContact O-N 3.48Å; S1043-V1045 VanDerWaalsContact O-N 3.17Å; V1045-L1049 HydrophobicContact CG1-CD1 4.18Å; V1045-L1049 HydrophobicContact CG2-CD1 4.42Å; V1045-L1049 CarbonylContact O-C 3.58Å; V1045-L1049 VanDerWaalsContact O-CA 3.23Å; V1045-L1049 WeakPolarHBondContact O-CA 3.43Å; V1045-L1049 WeakPolarHBondContact O-CB 3.3Å; V1045-L1049 PolarHBondContact O-N 3.36Å; V1045-G1050 PolarHBondContact O-N 2.9Å; V1045-G1050 VanDerWaalsContact O-N 3.13Å
1046Q69.1Low72.2Confident142 Ų14284.7 Ų84.766%0.66443%0.431SS*.Hα-helixtrans-72.8-27.6-179.8-174.4166.3-22.500113.5L1042 S1043 G1050L1042-Q1046 WeakPolarHBondContact O-CB 3.31Å; L1042-Q1046 PolarHBondContact O-N 3.25Å; S1043-Q1046 CarbonylContact O-C 3.6Å; S1043-Q1046 WeakPolarHBondContact O-CA 3.45Å; S1043-Q1046 PolarHBondContact O-N 2.87Å; Q1046-G1050 WeakPolarHBondContact O-CA 3.4Å; Q1046-G1050 PolarHBondContact O-N 2.91Å
1047D67.2Low71.2Confident101 Ų10185.6 Ų85.654%0.5444%0.435SS..Hα-helixtrans-95.3-39.9-175.6-58.6-40.5000111S1043S1043-D1047 VanDerWaalsContact O-CB 3.3Å; S1043-D1047 WeakPolarHBondContact O-CB 3.46Å; S1043-D1047 PolarHBondContact O-N 2.96Å; S1043-D1047 PolarHBondContact OG-OD2 2.87Å
1048Q59.2Low70.3Confident138 Ų13886.7 Ų86.765%0.64544%0.439SS*.Hα-helixtrans-91-23.4176.9-54.6-173.4100114.1V1044 P1052V1044-Q1048 HydrophobicContact CG1-CG 4.32Å; V1044-Q1048 WeakPolarHBondContact O-CA 3.17Å; V1044-Q1048 WeakPolarHBondContact O-CB 3.42Å; V1044-Q1048 WeakPolarHBondContact O-CG 3.23Å; V1044-Q1048 PolarHBondContact O-N 2.97Å; Q1048-P1052 WeakPolarHBondContact O-CD 3.24Å; Q1048-P1052 VanDerWaalsContact O-CG 3.28Å; Q1048-P1052 WeakPolarHBondContact O-CG 3.49Å
1049L51.5Low69.5Low39 Ų3987.4 Ų87.420%0.20445%0.445CS..THydrogen-bonded Turntrans-110.4-22.5172-64.2159.1000112.8A976 V1045 T1053A976-L1049 HydrophobicContact CB-CD2 4.41Å; V1045-L1049 HydrophobicContact CG1-CD1 4.18Å; V1045-L1049 HydrophobicContact CG2-CD1 4.42Å; V1045-L1049 CarbonylContact O-C 3.58Å; V1045-L1049 VanDerWaalsContact O-CA 3.23Å; V1045-L1049 WeakPolarHBondContact O-CA 3.43Å; V1045-L1049 WeakPolarHBondContact O-CB 3.3Å; V1045-L1049 PolarHBondContact O-N 3.36Å; L1049-T1053 WeakPolarHBondContact CB-OG1 3.34Å; L1049-T1053 WeakPolarHBondContact CD2-OG1 3.28Å; L1049-T1053 VanDerWaalsContact O-CA 3.27Å; L1049-T1053 WeakPolarHBondContact O-CA 3.43Å; L1049-T1053 WeakPolarHBondContact O-CB 3.37Å; L1049-T1053 PolarHBondContact O-N 3.27Å; L1049-T1053 PolarHBondContact O-OG1 3.26Å
1050G51.4Low68.6Low30 Ų3086.7 Ų86.731%0.30944%0.444SS..Hα-helixtrans-66.1-54179.800000113.1V1045 Q1046 Y1054V1045-G1050 PolarHBondContact O-N 2.9Å; V1045-G1050 VanDerWaalsContact O-N 3.13Å; Q1046-G1050 WeakPolarHBondContact O-CA 3.4Å; Q1046-G1050 PolarHBondContact O-N 2.91Å; G1050-Y1054 WeakPolarHBondContact O-CB 3.18Å; G1050-Y1054 PolarHBondContact O-N 2.95Å
1051F50.6Low68.3Low163 Ų16389.4 Ų89.472%0.71545%0.447SS*.Hα-helixtrans-66.6-49.4178.1-145.9-92.5000112.1Y1055F1051-Y1055 WeakPolarHBondContact O-CB 3.37Å; F1051-Y1055 PolarHBondContact O-N 2.85Å
1052P57.1Low68.1Low59 Ų5993.4 Ų93.438%0.38347%0.466SS..Hα-helixtrans-71.3-39-179.2-23.138.5000113.8Q1048 L1056Q1048-P1052 WeakPolarHBondContact O-CD 3.24Å; Q1048-P1052 VanDerWaalsContact O-CG 3.28Å; Q1048-P1052 WeakPolarHBondContact O-CG 3.49Å; P1052-L1056 VanDerWaalsContact O-CB 3.23Å; P1052-L1056 WeakPolarHBondContact O-CB 3.33Å; P1052-L1056 WeakPolarHBondContact O-CG 3.29Å; P1052-L1056 PolarHBondContact O-N 2.8Å
1053T57.3Low67.8Low58 Ų5893.1 Ų93.136%0.35647%0.468SS..Hα-helixtrans-80.3-30.6-178.6-41.40000112L1049 L1057L1049-T1053 WeakPolarHBondContact CB-OG1 3.34Å; L1049-T1053 WeakPolarHBondContact CD2-OG1 3.28Å; L1049-T1053 VanDerWaalsContact O-CA 3.27Å; L1049-T1053 WeakPolarHBondContact O-CA 3.43Å; L1049-T1053 WeakPolarHBondContact O-CB 3.37Å; L1049-T1053 PolarHBondContact O-N 3.27Å; L1049-T1053 PolarHBondContact O-OG1 3.26Å; T1053-L1057 WeakPolarHBondContact O-CB 3.1Å; T1053-L1057 PolarHBondContact O-N 3.38Å
1054Y63.7Low68.1Low152 Ų15295 Ų9560%0.59647%0.469SS*.Hα-helixtrans-62-48.6168.7-176.2-97.1000110.3G1050 L1057 Q1058G1050-Y1054 WeakPolarHBondContact O-CB 3.18Å; G1050-Y1054 PolarHBondContact O-N 2.95Å; Y1054-L1057 PolarHBondContact O-N 3.44Å; Y1054-Q1058 VanDerWaalsContact O-CB 3.24Å; Y1054-Q1058 WeakPolarHBondContact O-CB 3.33Å; Y1054-Q1058 PolarHBondContact O-N 2.72Å
1055Y68.6Low68.6Low132 Ų13294.2 Ų94.252%0.51847%0.47SS..Hα-helixtrans-61.8-49.7177.1-174-102.7000112.3F1051 L1057 Q1058 C1059F1051-Y1055 WeakPolarHBondContact O-CB 3.37Å; F1051-Y1055 PolarHBondContact O-N 2.85Å; Y1055-L1057 PolarHBondContact O-N 3.3Å; Y1055-Q1058 PolarHBondContact O-N 3.26Å; Y1055-C1059 VanDerWaalsContact CE1-SG 3.6Å; Y1055-C1059 WeakPolarHBondContact O-CB 3.29Å; Y1055-C1059 PolarHBondContact O-N 3.4Å; Y1055-C1059 PolarHBondContact O-SG 2.8Å; Y1055-C1059 VanDerWaalsContact O-SG 3.32Å
1056L68.9Low69.2Low113 Ų11397.4 Ų97.459%0.59248%0.482SS*.Hα-helixtrans-63.9-37.5178.3-72.9169.5000112.6P1052 H1060P1052-L1056 VanDerWaalsContact O-CB 3.23Å; P1052-L1056 WeakPolarHBondContact O-CB 3.33Å; P1052-L1056 WeakPolarHBondContact O-CG 3.29Å; P1052-L1056 PolarHBondContact O-N 2.8Å; L1056-H1060 WeakPolarHBondContact O-CB 3.37Å; L1056-H1060 PolarHBondContact O-N 3.34Å
1057L71.2Confident70Confident81 Ų8196.1 Ų96.142%0.42448%0.476SS..Hα-helixtrans-71-34.8175.3-165.874.6000111.2T1053 Y1054 Y1055 H1060 R1061T1053-L1057 WeakPolarHBondContact O-CB 3.1Å; T1053-L1057 PolarHBondContact O-N 3.38Å; Y1054-L1057 PolarHBondContact O-N 3.44Å; Y1055-L1057 PolarHBondContact O-N 3.3Å; L1057-H1060 PolarHBondContact O-N 3.49Å; L1057-R1061 WeakPolarHBondContact O-CB 3.18Å; L1057-R1061 WeakPolarHBondContact O-CG 3.19Å; L1057-R1061 PolarHBondContact O-N 3.4Å
1058Q73.6Confident71Confident86 Ų8699.8 Ų99.840%0.40248%0.482SS..Hα-helixtrans-67.3-46.9173-170.5174.616.300111Y1054 Y1055 H1060 R1061 L1062Y1054-Q1058 VanDerWaalsContact O-CB 3.24Å; Y1054-Q1058 WeakPolarHBondContact O-CB 3.33Å; Y1054-Q1058 PolarHBondContact O-N 2.72Å; Y1055-Q1058 PolarHBondContact O-N 3.26Å; Q1058-H1060 VanDerWaalsContact C-N 3.35Å; Q1058-H1060 PolarHBondContact O-N 3.38Å; Q1058-R1061 WeakPolarHBondContact O-CB 3.48Å; Q1058-R1061 PolarHBondContact O-N 3.45Å; Q1058-L1062 HydrophobicContact CG-CD1 4.23Å; Q1058-L1062 WeakPolarHBondContact O-CB 3.4Å; Q1058-L1062 VanDerWaalsContact O-CG 3.29Å; Q1058-L1062 WeakPolarHBondContact O-CG 3.32Å; Q1058-L1062 PolarHBondContact O-N 3.43Å
1059C71.8Confident72.5Confident41 Ų4198.5 Ų98.528%0.27748%0.475SS..Hα-helixtrans-56-47.6170.6-70.10000111.3Y1055 R1061 L1062 T1063Y1055-C1059 VanDerWaalsContact CE1-SG 3.6Å; Y1055-C1059 WeakPolarHBondContact O-CB 3.29Å; Y1055-C1059 PolarHBondContact O-N 3.4Å; Y1055-C1059 PolarHBondContact O-SG 2.8Å; Y1055-C1059 VanDerWaalsContact O-SG 3.32Å; C1059-R1061 VanDerWaalsContact C-N 3.34Å; C1059-R1061 PolarHBondContact O-N 2.88Å; C1059-L1062 CarbonylContact O-C 3.3Å; C1059-L1062 PolarHBondContact O-N 3.27Å; C1059-L1062 VanDerWaalsContact O-N 3.13Å; C1059-T1063 PolarHBondContact O-N 3.22Å; C1059-T1063 PolarHBondContact O-OG1 2.92Å; C1059-T1063 VanDerWaalsContact O-OG1 3.06Å
1060H71.5Confident74.4Confident115 Ų11599.5 Ų99.553%0.53248%0.478SS..Hα-helixtrans-65.8-33.9179.6-167.957.5000112.9L1056 L1057 Q1058 K1064L1056-H1060 WeakPolarHBondContact O-CB 3.37Å; L1056-H1060 PolarHBondContact O-N 3.34Å; L1057-H1060 PolarHBondContact O-N 3.49Å; Q1058-H1060 VanDerWaalsContact C-N 3.35Å; Q1058-H1060 PolarHBondContact O-N 3.38Å; H1060-K1064 VanDerWaalsContact O-CB 3.26Å; H1060-K1064 WeakPolarHBondContact O-CB 3.38Å; H1060-K1064 WeakPolarHBondContact O-CG 3.43Å; H1060-K1064 PolarHBondContact O-N 2.77Å
1061R80.4Confident76.2Confident161 Ų161105.3 Ų105.361%0.60849%0.492SS*.Hα-helixtrans-65.2-45.4169-74.8170.1-170.6-165.35.5111.4L1057 Q1058 C1059 K1064 A1065L1057-R1061 WeakPolarHBondContact O-CB 3.18Å; L1057-R1061 WeakPolarHBondContact O-CG 3.19Å; L1057-R1061 PolarHBondContact O-N 3.4Å; Q1058-R1061 WeakPolarHBondContact O-CB 3.48Å; Q1058-R1061 PolarHBondContact O-N 3.45Å; C1059-R1061 VanDerWaalsContact C-N 3.34Å; C1059-R1061 PolarHBondContact O-N 2.88Å; R1061-K1064 PolarHBondContact O-N 3.23Å; R1061-A1065 WeakPolarHBondContact O-CB 3.47Å; R1061-A1065 PolarHBondContact O-N 2.77Å
1062L81.2Confident77.9Confident109 Ų109104.4 Ų104.457%0.57148%0.484SS*.Hα-helixtrans-64.3-46.8178.8-71.8169.2000111.6Q1058 C1059 K1064 A1065 Q1066Q1058-L1062 HydrophobicContact CG-CD1 4.23Å; Q1058-L1062 WeakPolarHBondContact O-CB 3.4Å; Q1058-L1062 VanDerWaalsContact O-CG 3.29Å; Q1058-L1062 WeakPolarHBondContact O-CG 3.32Å; Q1058-L1062 PolarHBondContact O-N 3.43Å; C1059-L1062 CarbonylContact O-C 3.3Å; C1059-L1062 PolarHBondContact O-N 3.27Å; C1059-L1062 VanDerWaalsContact O-N 3.13Å; L1062-K1064 PolarHBondContact O-N 2.82Å; L1062-A1065 PolarHBondContact O-N 3.21Å; L1062-A1065 VanDerWaalsContact O-N 3.14Å; L1062-Q1066 WeakPolarHBondContact O-CB 3.48Å; L1062-Q1066 PolarHBondContact O-N 3.4Å
1063T79.9Confident79.6Confident64 Ų64105.8 Ų105.839%0.39349%0.485SS..Hα-helixtrans-60.5-42.7173.7-53.40000111.4C1059 A1065 Q1066 Q1067C1059-T1063 PolarHBondContact O-N 3.22Å; C1059-T1063 PolarHBondContact O-OG1 2.92Å; C1059-T1063 VanDerWaalsContact O-OG1 3.06Å; T1063-A1065 VanDerWaalsContact C-N 3.33Å; T1063-A1065 PolarHBondContact O-N 3.45Å; T1063-Q1066 PolarHBondContact O-N 2.92Å; T1063-Q1067 WeakPolarHBondContact O-CB 3.45Å; T1063-Q1067 VanDerWaalsContact O-CG 3.29Å; T1063-Q1067 WeakPolarHBondContact O-CG 3.37Å; T1063-Q1067 PolarHBondContact O-N 2.83Å
1064K86.1Confident81.2Confident93 Ų93110.6 Ų110.640%0.40450%0.497SS..Hα-helixtrans-67.8-29.4175-80.2174163.2170.10113.3H1060 R1061 L1062 R1068H1060-K1064 VanDerWaalsContact O-CB 3.26Å; H1060-K1064 WeakPolarHBondContact O-CB 3.38Å; H1060-K1064 WeakPolarHBondContact O-CG 3.43Å; H1060-K1064 PolarHBondContact O-N 2.77Å; R1061-K1064 PolarHBondContact O-N 3.23Å; L1062-K1064 PolarHBondContact O-N 2.82Å; K1064-R1068 WeakPolarHBondContact O-CD 3.18Å; K1064-R1068 WeakPolarHBondContact O-CG 3.2Å; K1064-R1068 PolarHBondContact O-N 3.32Å
1065A88.1Confident82.5Confident56 Ų56107.1 Ų107.146%0.46349%0.487SS..Hα-helixtrans-74.1-42.3173.400000111.2R1061 L1062 T1063 R1068 K1069R1061-A1065 WeakPolarHBondContact O-CB 3.47Å; R1061-A1065 PolarHBondContact O-N 2.77Å; L1062-A1065 PolarHBondContact O-N 3.21Å; L1062-A1065 VanDerWaalsContact O-N 3.14Å; T1063-A1065 VanDerWaalsContact C-N 3.33Å; T1063-A1065 PolarHBondContact O-N 3.45Å; A1065-R1068 CarbonylContact O-C 3.54Å; A1065-R1068 PolarHBondContact O-N 3.42Å; A1065-K1069 PolarHBondContact O-N 3.01Å
1066Q84.6Confident83.6Confident112 Ų112106.6 Ų106.652%0.52349%0.489SS..Hα-helixtrans-63.2-46.7175-177.6178.6-25.600111.4L1062 T1063 R1068 K1069 E1070L1062-Q1066 WeakPolarHBondContact O-CB 3.48Å; L1062-Q1066 PolarHBondContact O-N 3.4Å; T1063-Q1066 PolarHBondContact O-N 2.92Å; Q1066-R1068 VanDerWaalsContact C-N 3.25Å; Q1066-R1068 PolarHBondContact O-N 2.78Å; Q1066-K1069 CarbonylContact O-C 3.56Å; Q1066-K1069 WeakPolarHBondContact O-CA 3.4Å; Q1066-K1069 WeakPolarHBondContact O-CB 3.38Å; Q1066-K1069 PolarHBondContact O-N 3.23Å; Q1066-E1070 HydrophobicContact CG-CG 4.35Å; Q1066-E1070 WeakPolarHBondContact CG-OE1 3.43Å; Q1066-E1070 PolarHBondContact NE2-OE1 3.32Å; Q1066-E1070 PolarHBondContact O-N 2.88Å
1067Q86.2Confident84.7Confident115 Ų115103.4 Ų103.454%0.53748%0.479SS..Hα-helixtrans-58.1-36.6174.4-74.8172-17.400112.4T1063 K1069 Y1071T1063-Q1067 WeakPolarHBondContact O-CB 3.45Å; T1063-Q1067 VanDerWaalsContact O-CG 3.29Å; T1063-Q1067 WeakPolarHBondContact O-CG 3.37Å; T1063-Q1067 PolarHBondContact O-N 2.83Å; Q1067-K1069 VanDerWaalsContact C-N 3.35Å; Q1067-Y1071 WeakPolarHBondContact O-CB 3.38Å; Q1067-Y1071 PolarHBondContact O-N 3.44Å
1068R88.3Confident85.6Confident178 Ų178102 Ų10267%0.67247%0.47SS*.Hα-helixtrans-75.2-19.7172.7-69.1168.6-166.7-103.13.7113.8K1064 A1065 Q1066 R1072K1064-R1068 WeakPolarHBondContact O-CD 3.18Å; K1064-R1068 WeakPolarHBondContact O-CG 3.2Å; K1064-R1068 PolarHBondContact O-N 3.32Å; A1065-R1068 CarbonylContact O-C 3.54Å; A1065-R1068 PolarHBondContact O-N 3.42Å; Q1066-R1068 VanDerWaalsContact C-N 3.25Å; Q1066-R1068 PolarHBondContact O-N 2.78Å; R1068-R1072 WeakPolarHBondContact O-CG 3.42Å; R1068-R1072 PolarHBondContact O-NE 2.87Å
1069K90.7Very high86.4Confident112 Ų112103.2 Ų103.249%0.48748%0.476SS..Hα-helixtrans-77.7-57.7171.4-172.2-169.9154.8178.80108.8A1065 Q1066 Q1067 Y1071 R1072 E1073A1065-K1069 PolarHBondContact O-N 3.01Å; Q1066-K1069 CarbonylContact O-C 3.56Å; Q1066-K1069 WeakPolarHBondContact O-CA 3.4Å; Q1066-K1069 WeakPolarHBondContact O-CB 3.38Å; Q1066-K1069 PolarHBondContact O-N 3.23Å; Q1067-K1069 VanDerWaalsContact C-N 3.35Å; K1069-Y1071 VanDerWaalsContact C-N 3.29Å; K1069-Y1071 PolarHBondContact O-N 2.83Å; K1069-R1072 WeakPolarHBondContact O-CA 3.23Å; K1069-R1072 WeakPolarHBondContact O-CB 3.27Å; K1069-R1072 PolarHBondContact O-N 3.25Å; K1069-E1073 WeakPolarHBondContact CE-OE1 3.22Å; K1069-E1073 WeakPolarHBondContact CE-OE2 3.3Å; K1069-E1073 IonicContact NZ-OE1 2.79Å; K1069-E1073 PolarHBondContact NZ-OE1 2.89Å; K1069-E1073 WeakPolarHBondContact O-CG 3.25Å; K1069-E1073 PolarHBondContact O-N 3.01Å
1070E90.3Very high87.4Confident60 Ų60108 Ų10828%0.2849%0.494SS..Hα-helixtrans-55.4-40.3177.2-69.4179.1-146.900112.7Q1066 E1073 R1074Q1066-E1070 HydrophobicContact CG-CG 4.35Å; Q1066-E1070 WeakPolarHBondContact CG-OE1 3.43Å; Q1066-E1070 PolarHBondContact NE2-OE1 3.32Å; Q1066-E1070 PolarHBondContact O-N 2.88Å; E1070-E1073 PolarHBondContact O-N 2.99Å; E1070-R1074 WeakPolarHBondContact O-CB 3.47Å; E1070-R1074 WeakPolarHBondContact O-CG 3.4Å; E1070-R1074 PolarHBondContact O-N 3.41Å; E1070-R1074 IonicContact OE2-CZ 3.71Å; E1070-R1074 IonicContact OE2-NH2 3.01Å; E1070-R1074 PolarHBondContact OE2-NH2 3.24Å
1071Y89.4Confident88.3Confident152 Ų152107.3 Ų107.360%0.59649%0.487SS*.Hα-helixtrans-63.6-42.1175.2178.4-101.7000112.2Q1067 K1069 M1075Q1067-Y1071 WeakPolarHBondContact O-CB 3.38Å; Q1067-Y1071 PolarHBondContact O-N 3.44Å; K1069-Y1071 VanDerWaalsContact C-N 3.29Å; K1069-Y1071 PolarHBondContact O-N 2.83Å; Y1071-M1075 HydrophobicContact CD1-CG 4.36Å; Y1071-M1075 HydrophobicContact CD2-CG 4.47Å; Y1071-M1075 HydrophobicContact CE1-CG 3.94Å; Y1071-M1075 HydrophobicContact CE2-CE 4.44Å; Y1071-M1075 HydrophobicContact CE2-CG 4.06Å; Y1071-M1075 HydrophobicContact CE2-SD 4.22Å; Y1071-M1075 VanDerWaalsContact O-CG 3.22Å; Y1071-M1075 WeakPolarHBondContact O-CG 3.31Å; Y1071-M1075 PolarHBondContact O-N 2.83Å
1072R87.3Confident88.8Confident144 Ų144104.2 Ų104.254%0.54348%0.481SS..Hα-helixtrans-65.9-41.6175.5-77.7-177-67.8165.83.2111.6R1068 K1069 M1075 Q1076R1068-R1072 WeakPolarHBondContact O-CG 3.42Å; R1068-R1072 PolarHBondContact O-NE 2.87Å; K1069-R1072 WeakPolarHBondContact O-CA 3.23Å; K1069-R1072 WeakPolarHBondContact O-CB 3.27Å; K1069-R1072 PolarHBondContact O-N 3.25Å; R1072-M1075 PolarHBondContact O-N 3.48Å; R1072-Q1076 WeakPolarHBondContact O-CB 3.39Å; R1072-Q1076 VanDerWaalsContact O-CG 3.31Å; R1072-Q1076 WeakPolarHBondContact O-CG 3.39Å; R1072-Q1076 PolarHBondContact O-N 3.12Å
1073E92.6Very high89.4Confident87 Ų87107 Ų10741%0.40748%0.483SS..Hα-helixtrans-64.3-41.7177.9-69.9169.2144.200111.6K1069 E1070 Q1076 A1077K1069-E1073 WeakPolarHBondContact CE-OE1 3.22Å; K1069-E1073 WeakPolarHBondContact CE-OE2 3.3Å; K1069-E1073 IonicContact NZ-OE1 2.79Å; K1069-E1073 PolarHBondContact NZ-OE1 2.89Å; K1069-E1073 WeakPolarHBondContact O-CG 3.25Å; K1069-E1073 PolarHBondContact O-N 3.01Å; E1070-E1073 PolarHBondContact O-N 2.99Å; E1073-Q1076 PolarHBondContact O-N 3.26Å; E1073-A1077 WeakPolarHBondContact O-CB 3.45Å; E1073-A1077 PolarHBondContact O-N 2.91Å
1074R91.8Very high89.9Confident160 Ų160105.4 Ų105.460%0.60447%0.473SS*.Hα-helixtrans-62.6-41.3172.5-69.4172.5-151.8-157.58.6112.2E1070 E1078E1070-R1074 WeakPolarHBondContact O-CB 3.47Å; E1070-R1074 WeakPolarHBondContact O-CG 3.4Å; E1070-R1074 PolarHBondContact O-N 3.41Å; E1070-R1074 IonicContact OE2-CZ 3.71Å; E1070-R1074 IonicContact OE2-NH2 3.01Å; E1070-R1074 PolarHBondContact OE2-NH2 3.24Å; R1074-E1078 WeakPolarHBondContact O-CB 3.44Å; R1074-E1078 PolarHBondContact O-N 2.89Å
1075M90.1Very high90.2Very high79 Ų79103 Ų10339%0.38946%0.464SS..Hα-helixtrans-70-32.6176.4-66.3-67.89400112.8Y1071 R1072 Q1079Y1071-M1075 HydrophobicContact CD1-CG 4.36Å; Y1071-M1075 HydrophobicContact CD2-CG 4.47Å; Y1071-M1075 HydrophobicContact CE1-CG 3.94Å; Y1071-M1075 HydrophobicContact CE2-CE 4.44Å; Y1071-M1075 HydrophobicContact CE2-CG 4.06Å; Y1071-M1075 HydrophobicContact CE2-SD 4.22Å; Y1071-M1075 VanDerWaalsContact O-CG 3.22Å; Y1071-M1075 WeakPolarHBondContact O-CG 3.31Å; Y1071-M1075 PolarHBondContact O-N 2.83Å; R1072-M1075 PolarHBondContact O-N 3.48Å; M1075-Q1079 VanDerWaalsContact O-CG 3.3Å; M1075-Q1079 WeakPolarHBondContact O-CG 3.38Å; M1075-Q1079 PolarHBondContact O-N 2.87Å
1076Q91.9Very high90.4Very high120 Ų120102.7 Ų102.756%0.56145%0.454SS*.Hα-helixtrans-68.9-45.9173.5-75.8172.9-50.700111.3R1072 E1073 E1078 Q1079 E1080R1072-Q1076 WeakPolarHBondContact O-CB 3.39Å; R1072-Q1076 VanDerWaalsContact O-CG 3.31Å; R1072-Q1076 WeakPolarHBondContact O-CG 3.39Å; R1072-Q1076 PolarHBondContact O-N 3.12Å; E1073-Q1076 PolarHBondContact O-N 3.26Å; Q1076-E1078 VanDerWaalsContact C-N 3.28Å; Q1076-E1078 PolarHBondContact O-N 3.05Å; Q1076-Q1079 PolarHBondContact O-N 2.86Å; Q1076-E1080 WeakPolarHBondContact O-CB 3.44Å; Q1076-E1080 PolarHBondContact O-N 2.94Å
1077A91.6Very high90.7Very high47 Ų47101.6 Ų101.639%0.38845%0.452SS..Hα-helixtrans-60.8-36.4174.100000112.2E1073 E1080 R1081E1073-A1077 WeakPolarHBondContact O-CB 3.45Å; E1073-A1077 PolarHBondContact O-N 2.91Å; A1077-E1080 PolarHBondContact O-N 3.06Å; A1077-R1081 WeakPolarHBondContact O-CG 3.42Å; A1077-R1081 PolarHBondContact O-N 3.47Å
1078E90Very high90.8Very high51 Ų5196.2 Ų96.224%0.23843%0.427CS..Hα-helixtrans-67.9-43.3174.7-167.460.3-164.200112.5R1074 Q1076 E1080 R1081 M1082R1074-E1078 WeakPolarHBondContact O-CB 3.44Å; R1074-E1078 PolarHBondContact O-N 2.89Å; Q1076-E1078 VanDerWaalsContact C-N 3.28Å; Q1076-E1078 PolarHBondContact O-N 3.05Å; E1078-E1080 VanDerWaalsContact C-N 3.27Å; E1078-E1080 PolarHBondContact O-N 3.36Å; E1078-R1081 PolarHBondContact O-N 3.26Å; E1078-R1081 IonicContact OE2-CZ 2.91Å; E1078-R1081 IonicContact OE2-NE 3.29Å; E1078-R1081 PolarHBondContact OE2-NE 3.27Å; E1078-R1081 IonicContact OE2-NH2 2.76Å; E1078-R1081 PolarHBondContact OE2-NH2 3.5Å; E1078-M1082 VanDerWaalsContact O-CB 3.31Å; E1078-M1082 WeakPolarHBondContact O-CB 2.74Å; E1078-M1082 PolarHBondContact O-N 3.07Å
1079Q90.8Very high90.9Very high111 Ų11189.4 Ų89.452%0.51940%0.403SS..Hα-helixtrans-62.5-34.9173.8-73.9175.28.600112.2M1075 Q1076 R1083M1075-Q1079 VanDerWaalsContact O-CG 3.3Å; M1075-Q1079 WeakPolarHBondContact O-CG 3.38Å; M1075-Q1079 PolarHBondContact O-N 2.87Å; Q1076-Q1079 PolarHBondContact O-N 2.86Å; Q1079-R1083 WeakPolarHBondContact O-CB 3.21Å; Q1079-R1083 WeakPolarHBondContact O-CD 3.45Å; Q1079-R1083 WeakPolarHBondContact O-CG 3.38Å; Q1079-R1083 PolarHBondContact O-N 3.28Å
1080E92Very high90.9Very high142 Ų14288.2 Ų88.266%0.66440%0.399SS*.Hα-helixtrans-68.4-47.8175.7-171.7165.3-147.300111.7Q1076 A1077 E1078 M1082 R1083 D1084Q1076-E1080 WeakPolarHBondContact O-CB 3.44Å; Q1076-E1080 PolarHBondContact O-N 2.94Å; A1077-E1080 PolarHBondContact O-N 3.06Å; E1078-E1080 VanDerWaalsContact C-N 3.27Å; E1078-E1080 PolarHBondContact O-N 3.36Å; E1080-M1082 VanDerWaalsContact C-N 3.28Å; E1080-M1082 PolarHBondContact O-N 3.05Å; E1080-R1083 PolarHBondContact O-N 2.65Å; E1080-D1084 PolarHBondContact O-N 2.88Å
1081R91.6Very high90.8Very high100 Ų10085.4 Ų85.438%0.37739%0.386SS..Hα-helixtrans-58.9-38.6173-70.8-163.9-62.7-177.70.4112.8A1077 E1078 D1084 L1085 V1157A1077-R1081 WeakPolarHBondContact O-CG 3.42Å; A1077-R1081 PolarHBondContact O-N 3.47Å; E1078-R1081 PolarHBondContact O-N 3.26Å; E1078-R1081 IonicContact OE2-CZ 2.91Å; E1078-R1081 IonicContact OE2-NE 3.29Å; E1078-R1081 PolarHBondContact OE2-NE 3.27Å; E1078-R1081 IonicContact OE2-NH2 2.76Å; E1078-R1081 PolarHBondContact OE2-NH2 3.5Å; R1081-D1084 PolarHBondContact O-N 3.05Å; R1081-L1085 PolarHBondContact O-N 3.21Å; R1081-V1157 HydrophobicContact CB-CG1 4Å; R1081-V1157 HydrophobicContact CG-CG1 4.18Å
1082M91.1Very high90.9Very high97 Ų9778.3 Ų78.348%0.47836%0.358SS..Hα-helixtrans-69.5-37.2178.3-166.5179.7-61.200112.2E1078 E1080 L1086E1078-M1082 VanDerWaalsContact O-CB 3.31Å; E1078-M1082 WeakPolarHBondContact O-CB 2.74Å; E1078-M1082 PolarHBondContact O-N 3.07Å; E1080-M1082 VanDerWaalsContact C-N 3.28Å; E1080-M1082 PolarHBondContact O-N 3.05Å; M1082-L1086 HydrophobicContact CG-CD1 4.48Å; M1082-L1086 VanDerWaalsContact O-CG 3.3Å; M1082-L1086 WeakPolarHBondContact O-CG 3.21Å; M1082-L1086 PolarHBondContact O-N 2.84Å
1083R92.2Very high91Very high166 Ų16673.8 Ų73.863%0.62635%0.345SS*.Hα-helixtrans-66.1-42.2171.4-73.3166.3-177.5-170.51.1112Q1079 E1080 L1086 N1087Q1079-R1083 WeakPolarHBondContact O-CB 3.21Å; Q1079-R1083 WeakPolarHBondContact O-CD 3.45Å; Q1079-R1083 WeakPolarHBondContact O-CG 3.38Å; Q1079-R1083 PolarHBondContact O-N 3.28Å; E1080-R1083 PolarHBondContact O-N 2.65Å; R1083-L1086 PolarHBondContact O-N 3.04Å; R1083-N1087 WeakPolarHBondContact O-CB 3.3Å; R1083-N1087 VanDerWaalsContact O-CG 3.23Å; R1083-N1087 PolarHBondContact O-N 2.92Å; R1083-N1087 PolarHBondContact O-ND2 3.4Å
1084D91.7Very high90.7Very high32 Ų3272 Ų7217%0.17134%0.337CS..Hα-helixtrans-59.3-48.7175.7-162.722.6000110.1E1080 R1081 L1086 N1087 M1088 V1157 R1175E1080-D1084 PolarHBondContact O-N 2.88Å; R1081-D1084 PolarHBondContact O-N 3.05Å; D1084-L1086 PolarHBondContact O-N 3.35Å; D1084-N1087 PolarHBondContact O-N 3.39Å; D1084-M1088 WeakPolarHBondContact O-CG 3.3Å; D1084-M1088 PolarHBondContact O-N 3.41Å; D1084-M1088 WeakPolarHBondContact OD1-CE 3.31Å; D1084-V1157 HydrophobicContact CB-CG1 4.35Å; D1084-R1175 IonicContact OD1-NH2 2.73Å; D1084-R1175 IonicContact OD2-CZ 2.7Å; D1084-R1175 VanDerWaalsContact OD2-CZ 3.29Å; D1084-R1175 IonicContact OD2-NH1 3.08Å; D1084-R1175 PolarHBondContact OD2-NH1 2.97Å; D1084-R1175 IonicContact OD2-NH2 3.33Å; D1084-R1175 PolarHBondContact OD2-NH2 2.99Å
1085L92.3Very high90.5Very high42 Ų4264.8 Ų64.822%0.2231%0.311CS..Hα-helixtrans-57.1-47.9175.3-176.256.1000113R1081 N1087 M1088 Q1089 I1129 A1153 V1157R1081-L1085 PolarHBondContact O-N 3.21Å; L1085-N1087 VanDerWaalsContact C-N 3.34Å; L1085-N1087 PolarHBondContact O-N 2.97Å; L1085-M1088 PolarHBondContact O-N 2.89Å; L1085-M1088 VanDerWaalsContact O-N 3.17Å; L1085-Q1089 HydrophobicContact CD1-CG 4.32Å; L1085-Q1089 WeakPolarHBondContact O-CG 3.48Å; L1085-Q1089 PolarHBondContact O-N 3.37Å; L1085-I1129 HydrophobicContact CD1-CG2 4.22Å; L1085-A1153 HydrophobicContact CD1-CB 3.84Å; L1085-A1153 HydrophobicContact CD2-CB 4.26Å; L1085-V1157 HydrophobicContact CB-CG2 3.89Å; L1085-V1157 HydrophobicContact CD1-CG2 3.93Å; L1085-V1157 HydrophobicContact CG-CG2 4.45Å
1086L91.4Very high90.2Very high49 Ų4964 Ų6426%0.25732%0.322SS..Hα-helixtrans-64.2-38.1179.6-72.7168.2000112Y41 M45 M1082 R1083 D1084 M1088 Q1089 E1090Y41-L1086 HydrophobicContact CE1-CD2 4.23Å; M45-L1086 HydrophobicContact CE-CD1 4.31Å; M1082-L1086 HydrophobicContact CG-CD1 4.48Å; M1082-L1086 VanDerWaalsContact O-CG 3.3Å; M1082-L1086 WeakPolarHBondContact O-CG 3.21Å; M1082-L1086 PolarHBondContact O-N 2.84Å; R1083-L1086 PolarHBondContact O-N 3.04Å; D1084-L1086 PolarHBondContact O-N 3.35Å; L1086-M1088 VanDerWaalsContact C-N 3.34Å; L1086-Q1089 PolarHBondContact O-N 3.15Å; L1086-E1090 PolarHBondContact O-N 3.06Å
1087N90.5Very high89.9Confident90 Ų9060.6 Ų60.648%0.48131%0.312SS..Hα-helixtrans-65.7-35.3173.4-72.9-23.4000112.3R1083 D1084 L1085 L1091R1083-N1087 WeakPolarHBondContact O-CB 3.3Å; R1083-N1087 VanDerWaalsContact O-CG 3.23Å; R1083-N1087 PolarHBondContact O-N 2.92Å; R1083-N1087 PolarHBondContact O-ND2 3.4Å; D1084-N1087 PolarHBondContact O-N 3.39Å; L1085-N1087 VanDerWaalsContact C-N 3.34Å; L1085-N1087 PolarHBondContact O-N 2.97Å; N1087-L1091 WeakPolarHBondContact O-CB 3.49Å; N1087-L1091 PolarHBondContact O-N 3.23Å
1088M90Very high89.6Confident1 Ų165.6 Ų65.61%0.00533%0.327CS..Hα-helixtrans-71-41.3173.2-63.4-165.6-166.900111.8D1084 L1085 L1086 L1091 L1092 L1156 V1157 R1175 I1178D1084-M1088 WeakPolarHBondContact O-CG 3.3Å; D1084-M1088 PolarHBondContact O-N 3.41Å; D1084-M1088 WeakPolarHBondContact OD1-CE 3.31Å; L1085-M1088 PolarHBondContact O-N 2.89Å; L1085-M1088 VanDerWaalsContact O-N 3.17Å; L1086-M1088 VanDerWaalsContact C-N 3.34Å; M1088-L1091 PolarHBondContact O-N 3.24Å; M1088-L1092 VanDerWaalsContact O-CG 3.26Å; M1088-L1092 WeakPolarHBondContact O-CG 3.48Å; M1088-L1092 PolarHBondContact O-N 3.34Å; M1088-L1156 HydrophobicContact SD-CD2 3.69Å; M1088-L1156 HydrophobicContact SD-CG 3.77Å; M1088-V1157 HydrophobicContact SD-CG2 4.48Å; M1088-R1175 HydrophobicContact CE-CG 4.23Å; M1088-I1178 HydrophobicContact CG-CG2 3.94Å; M1088-I1178 HydrophobicContact SD-CD1 4.2Å; M1088-I1178 HydrophobicContact SD-CG2 4.35Å
1089Q90Very high89.3Confident35 Ų3567.6 Ų67.616%0.16434%0.339CS..Hα-helixtrans-62.4-44.9176.9-77179.8-37.500111.9L1085 L1086 L1091 L1092 N1093 I1129L1085-Q1089 HydrophobicContact CD1-CG 4.32Å; L1085-Q1089 WeakPolarHBondContact O-CG 3.48Å; L1085-Q1089 PolarHBondContact O-N 3.37Å; L1086-Q1089 PolarHBondContact O-N 3.15Å; Q1089-L1091 VanDerWaalsContact C-N 3.34Å; Q1089-L1091 PolarHBondContact O-N 3.15Å; Q1089-L1092 PolarHBondContact O-N 3.32Å; Q1089-N1093 VanDerWaalsContact O-CG 3.27Å; Q1089-N1093 PolarHBondContact O-N 2.91Å; Q1089-N1093 PolarHBondContact O-ND2 3.17Å; Q1089-I1129 HydrophobicContact CG-CG2 3.86Å
1090E89.6Confident89.1Confident87 Ų8762.5 Ų62.541%0.40732%0.316SS..Hα-helixtrans-66.7-36.1177.8-173.469.8157.400112.4L1086 N1093 M1094L1086-E1090 PolarHBondContact O-N 3.06Å; E1090-N1093 WeakPolarHBondContact O-CB 3.46Å; E1090-N1093 PolarHBondContact O-N 3.15Å; E1090-N1093 PolarHBondContact OE2-ND2 2.93Å; E1090-M1094 WeakPolarHBondContact O-CB 3.4Å; E1090-M1094 VanDerWaalsContact O-CG 3.29Å; E1090-M1094 WeakPolarHBondContact O-CG 3.41Å; E1090-M1094 PolarHBondContact O-N 3.33Å
1091L90.1Very high88.9Confident1 Ų159.5 Ų59.51%0.00530%0.298CS..Hα-helixtrans-63.4-41.3173.1-177.8155.4000112.1N1087 M1088 Q1089 M1094 L1095 I1178 I1181 Q1182 Y1187N1087-L1091 WeakPolarHBondContact O-CB 3.49Å; N1087-L1091 PolarHBondContact O-N 3.23Å; M1088-L1091 PolarHBondContact O-N 3.24Å; Q1089-L1091 VanDerWaalsContact C-N 3.34Å; Q1089-L1091 PolarHBondContact O-N 3.15Å; L1091-M1094 PolarHBondContact O-N 3.3Å; L1091-L1095 HydrophobicContact CD2-CD1 3.85Å; L1091-L1095 WeakPolarHBondContact O-CG 3.25Å; L1091-L1095 PolarHBondContact O-N 3.07Å; L1091-L1095 VanDerWaalsContact O-N 3.14Å; L1091-I1178 HydrophobicContact CD1-CG2 3.93Å; L1091-I1178 HydrophobicContact CD2-CG2 4.23Å; L1091-I1181 HydrophobicContact CD1-CB 3.93Å; L1091-I1181 HydrophobicContact CD1-CG2 3.55Å; L1091-I1181 HydrophobicContact CD2-CB 4.45Å; L1091-I1181 HydrophobicContact CD2-CD1 4.06Å; L1091-I1181 HydrophobicContact CD2-CG2 4.05Å; L1091-I1181 HydrophobicContact CG-CG2 3.82Å; L1091-Q1182 HydrophobicContact CD1-CB 4.44Å; L1091-Q1182 HydrophobicContact CD1-CG 3.39Å; L1091-Y1187 HydrophobicContact CB-CE2 3.89Å; L1091-Y1187 HydrophobicContact CD1-CD2 4.32Å; L1091-Y1187 HydrophobicContact CD1-CE2 3.88Å; L1091-Y1187 HydrophobicContact CG-CD2 4.43Å; L1091-Y1187 HydrophobicContact CG-CE2 3.84Å
1092L91.1Very high88.5Confident4 Ų459.9 Ų59.92%0.02130%0.3CS..Hα-helixtrans-69-40.1176-67.3168.7000111.7M1088 Q1089 M1094 L1095 L1122 Y1126 I1129M1088-L1092 VanDerWaalsContact O-CG 3.26Å; M1088-L1092 WeakPolarHBondContact O-CG 3.48Å; M1088-L1092 PolarHBondContact O-N 3.34Å; Q1089-L1092 PolarHBondContact O-N 3.32Å; L1092-M1094 VanDerWaalsContact C-N 3.31Å; L1092-M1094 PolarHBondContact O-N 2.98Å; L1092-L1095 HydrophobicContact CD2-CD1 4.39Å; L1092-L1095 PolarHBondContact O-N 3.48Å; L1092-L1122 HydrophobicContact CD2-CB 4.05Å; L1092-L1122 HydrophobicContact CD2-CD2 3.82Å; L1092-Y1126 HydrophobicContact CB-CD2 3.63Å; L1092-Y1126 HydrophobicContact CB-CE2 4.44Å; L1092-Y1126 HydrophobicContact CB-CG 4.23Å; L1092-I1129 HydrophobicContact CD1-CD1 4.46Å
1093N88.7Confident88.3Confident49 Ų4956.4 Ų56.426%0.26228%0.283SS..Hα-helixtrans-53.7-48.9169.1-70.1-26.9000110.8Q1089 E1090 L1095 G1096 Y1126Q1089-N1093 VanDerWaalsContact O-CG 3.27Å; Q1089-N1093 PolarHBondContact O-N 2.91Å; Q1089-N1093 PolarHBondContact O-ND2 3.17Å; E1090-N1093 WeakPolarHBondContact O-CB 3.46Å; E1090-N1093 PolarHBondContact O-N 3.15Å; E1090-N1093 PolarHBondContact OE2-ND2 2.93Å; N1093-L1095 VanDerWaalsContact C-N 3.3Å; N1093-L1095 PolarHBondContact O-N 3.19Å; N1093-G1096 PolarHBondContact O-N 2.85Å; N1093-Y1126 WeakPolarHBondContact OD1-CE2 3.19Å; N1093-Y1126 PolarHBondContact OD1-OH 3.48Å
1094M86.7Confident88.1Confident50 Ų5048.7 Ų48.725%0.24625%0.254CS..Hα-helixtrans-63.4-31.9-177.6-78.3-58.8-34.100113.3E1090 L1091 L1092 G1096 S1097 V1100E1090-M1094 WeakPolarHBondContact O-CB 3.4Å; E1090-M1094 VanDerWaalsContact O-CG 3.29Å; E1090-M1094 WeakPolarHBondContact O-CG 3.41Å; E1090-M1094 PolarHBondContact O-N 3.33Å; L1091-M1094 PolarHBondContact O-N 3.3Å; L1092-M1094 VanDerWaalsContact C-N 3.31Å; L1092-M1094 PolarHBondContact O-N 2.98Å; M1094-G1096 PolarHBondContact O-N 2.87Å; M1094-S1097 PolarHBondContact O-N 3.34Å; M1094-V1100 HydrophobicContact CE-CG2 3.77Å; M1094-V1100 WeakPolarHBondContact O-CB 3.45Å; M1094-V1100 WeakPolarHBondContact O-CG1 3.29Å
1095L87.7Confident87.9Confident8 Ų850.8 Ų50.84%0.04227%0.268CS..Hα-helixtrans-70-15.5174.8-72.8170000113.7L1091 L1092 N1093 S1097 V1100 F1104 L1122 I1181L1091-L1095 HydrophobicContact CD2-CD1 3.85Å; L1091-L1095 WeakPolarHBondContact O-CG 3.25Å; L1091-L1095 PolarHBondContact O-N 3.07Å; L1091-L1095 VanDerWaalsContact O-N 3.14Å; L1092-L1095 HydrophobicContact CD2-CD1 4.39Å; L1092-L1095 PolarHBondContact O-N 3.48Å; N1093-L1095 VanDerWaalsContact C-N 3.3Å; N1093-L1095 PolarHBondContact O-N 3.19Å; L1095-S1097 PolarHBondContact O-N 3.33Å; L1095-V1100 HydrophobicContact CD2-CG1 4.43Å; L1095-F1104 HydrophobicContact CD2-CD2 3.5Å; L1095-F1104 HydrophobicContact CD2-CE2 3.87Å; L1095-F1104 HydrophobicContact CD2-CG 4.23Å; L1095-L1122 HydrophobicContact CD1-CB 4.27Å; L1095-L1122 HydrophobicContact CD1-CD1 3.88Å; L1095-I1181 HydrophobicContact CD1-CD1 4.24Å
1096G84.3Confident87.6Confident61 Ų6154.2 Ų54.263%0.62928%0.283SS*.THydrogen-bonded Turntrans-69.1-14.3171.900000114.3N1093 M1094N1093-G1096 PolarHBondContact O-N 2.85Å; M1094-G1096 PolarHBondContact O-N 2.87Å
1097S85.4Confident87.3Confident49 Ų4953.3 Ų53.334%0.34329%0.286SS..SBendtrans-79.4121.9172.6173.40000110.9M1094 L1095 D1099 V1100 R1101M1094-S1097 PolarHBondContact O-N 3.34Å; L1095-S1097 PolarHBondContact O-N 3.33Å; S1097-D1099 VanDerWaalsContact C-N 3.26Å; S1097-D1099 PolarHBondContact O-N 3.32Å; S1097-V1100 WeakPolarHBondContact O-CB 3.33Å; S1097-V1100 PolarHBondContact O-N 3.42Å; S1097-V1100 VanDerWaalsContact O-N 3.09Å; S1097-R1101 WeakPolarHBondContact O-CB 3.47Å; S1097-R1101 PolarHBondContact O-N 3.02Å
1098E84.1Confident86.9Confident153 Ų15352.8 Ų52.872%0.71528%0.282SS*.Hα-helixtrans-55.5-37.8180-67.8-171.7-17500113.5R1101 R1102E1098-R1101 PolarHBondContact O-N 2.94Å; E1098-R1102 WeakPolarHBondContact O-CB 3.33Å; E1098-R1102 PolarHBondContact O-N 2.96Å
1099D84.1Confident86.4Confident92 Ų9257.8 Ų57.849%0.49231%0.309SS..Hα-helixtrans-70-40178.1-67.2-45.7000111.8S1097 R1102 N1103S1097-D1099 VanDerWaalsContact C-N 3.26Å; S1097-D1099 PolarHBondContact O-N 3.32Å; D1099-R1102 PolarHBondContact O-N 3.23Å; D1099-R1102 IonicContact OD1-CZ 3.22Å; D1099-R1102 IonicContact OD1-NH1 2.66Å; D1099-R1102 PolarHBondContact OD1-NH1 3.39Å; D1099-R1102 IonicContact OD1-NH2 2.82Å; D1099-R1102 PolarHBondContact OD1-NH2 2.95Å; D1099-N1103 PolarHBondContact O-N 2.79Å; D1099-N1103 VanDerWaalsContact O-N 3.08Å; D1099-N1103 PolarHBondContact O-ND2 3.06Å
1100V86Confident85.9Confident4 Ų457.7 Ų57.72%0.02432%0.317CS..Hα-helixtrans-62.6-46.2173.4172.40000110.1M1094 L1095 S1097 R1102 N1103 F1104 F1186M1094-V1100 HydrophobicContact CE-CG2 3.77Å; M1094-V1100 WeakPolarHBondContact O-CB 3.45Å; M1094-V1100 WeakPolarHBondContact O-CG1 3.29Å; L1095-V1100 HydrophobicContact CD2-CG1 4.43Å; S1097-V1100 WeakPolarHBondContact O-CB 3.33Å; S1097-V1100 PolarHBondContact O-N 3.42Å; S1097-V1100 VanDerWaalsContact O-N 3.09Å; V1100-R1102 VanDerWaalsContact C-N 3.32Å; V1100-R1102 PolarHBondContact O-N 3.4Å; V1100-N1103 WeakPolarHBondContact O-CB 3.46Å; V1100-N1103 PolarHBondContact O-N 3.41Å; V1100-F1104 HydrophobicContact CG1-CD2 3.78Å; V1100-F1104 HydrophobicContact CG1-CE2 3.61Å; V1100-F1104 VanDerWaalsContact O-CD2 3.26Å; V1100-F1104 WeakPolarHBondContact O-CD2 3.44Å; V1100-F1104 PolarHBondContact O-N 3.36Å; V1100-F1104 VanDerWaalsContact O-N 3.11Å; V1100-F1186 HydrophobicContact CG1-CE1 4.03Å; V1100-F1186 HydrophobicContact CG2-CE1 4.36Å; V1100-F1186 HydrophobicContact CG2-CZ 4.34Å
1101R87.4Confident85.6Confident79 Ų7953.9 Ų53.930%0.29830%0.301SS..Hα-helixtrans-59.7-40176.3-171168.8-125.2-114.3-13.7112.3S1097 E1098 F1104 T1105 L1119 D1123S1097-R1101 WeakPolarHBondContact O-CB 3.47Å; S1097-R1101 PolarHBondContact O-N 3.02Å; E1098-R1101 PolarHBondContact O-N 2.94Å; R1101-F1104 PolarHBondContact O-N 2.92Å; R1101-T1105 WeakPolarHBondContact O-CB 3.42Å; R1101-T1105 PolarHBondContact O-N 3.46Å; R1101-T1105 PolarHBondContact O-OG1 3.47Å; R1101-L1119 PolarHBondContact NH2-O 3.38Å; R1101-D1123 IonicContact CZ-OD1 3.47Å; R1101-D1123 IonicContact CZ-OD2 3.45Å; R1101-D1123 IonicContact NE-OD1 3.94Å; R1101-D1123 IonicContact NH1-OD2 3.64Å; R1101-D1123 IonicContact NH2-OD1 2.65Å; R1101-D1123 PolarHBondContact NH2-OD1 3.48Å; R1101-D1123 IonicContact NH2-OD2 2.64Å; R1101-D1123 PolarHBondContact NH2-OD2 3.49Å
1102R84.8Confident85.4Confident109 Ų10956.6 Ų56.641%0.41132%0.317SS..Hα-helixtrans-61.7-47174.2-165.3-179-51.4110.712.5111.5E1098 D1099 V1100 F1104 T1105 E1106E1098-R1102 WeakPolarHBondContact O-CB 3.33Å; E1098-R1102 PolarHBondContact O-N 2.96Å; D1099-R1102 PolarHBondContact O-N 3.23Å; D1099-R1102 IonicContact OD1-CZ 3.22Å; D1099-R1102 IonicContact OD1-NH1 2.66Å; D1099-R1102 PolarHBondContact OD1-NH1 3.39Å; D1099-R1102 IonicContact OD1-NH2 2.82Å; D1099-R1102 PolarHBondContact OD1-NH2 2.95Å; V1100-R1102 VanDerWaalsContact C-N 3.32Å; V1100-R1102 PolarHBondContact O-N 3.4Å; R1102-F1104 VanDerWaalsContact C-N 3.34Å; R1102-F1104 PolarHBondContact O-N 3.37Å; R1102-T1105 PolarHBondContact O-N 2.84Å; R1102-T1105 VanDerWaalsContact O-N 3.1Å; R1102-E1106 WeakPolarHBondContact CD-OE1 3.41Å; R1102-E1106 HydrophobicContact CG-CG 4.24Å; R1102-E1106 WeakPolarHBondContact CG-OE1 3.32Å; R1102-E1106 WeakPolarHBondContact O-CB 3.47Å; R1102-E1106 PolarHBondContact O-N 3.17Å
1103N86.5Confident85.2Confident23 Ų2359.8 Ų59.812%0.12334%0.344CS..Hα-helixtrans-56.8-44.2176-76.7-83.9000112.4D1099 V1100 G1107 I1108 N1109 A1111 F1186D1099-N1103 PolarHBondContact O-N 2.79Å; D1099-N1103 VanDerWaalsContact O-N 3.08Å; D1099-N1103 PolarHBondContact O-ND2 3.06Å; V1100-N1103 WeakPolarHBondContact O-CB 3.46Å; V1100-N1103 PolarHBondContact O-N 3.41Å; N1103-G1107 WeakPolarHBondContact O-CA 3.47Å; N1103-G1107 PolarHBondContact O-N 2.95Å; N1103-I1108 PolarHBondContact O-N 3.24Å; N1103-I1108 VanDerWaalsContact O-N 3.12Å; N1103-N1109 PolarHBondContact OD1-ND2 2.85Å; N1103-A1111 HydrophobicContact CB-CB 4.19Å; N1103-A1111 WeakPolarHBondContact O-CB 3.44Å; N1103-F1186 HydrophobicContact CB-CD2 4.31Å; N1103-F1186 HydrophobicContact CB-CE2 3.78Å; N1103-F1186 HydrophobicContact CB-CZ 3.9Å; N1103-F1186 VanDerWaalsContact CG-CE2 3.49Å
1104F88.2Confident85.2Confident4 Ų458.2 Ų58.22%0.01834%0.335CS..Hα-helixtrans-72.3-26.9176-74.7-67000114.3L1095 V1100 R1101 R1102 A1111 A1113 I1114 I1181 F1186L1095-F1104 HydrophobicContact CD2-CD2 3.5Å; L1095-F1104 HydrophobicContact CD2-CE2 3.87Å; L1095-F1104 HydrophobicContact CD2-CG 4.23Å; V1100-F1104 HydrophobicContact CG1-CD2 3.78Å; V1100-F1104 HydrophobicContact CG1-CE2 3.61Å; V1100-F1104 VanDerWaalsContact O-CD2 3.26Å; V1100-F1104 WeakPolarHBondContact O-CD2 3.44Å; V1100-F1104 PolarHBondContact O-N 3.36Å; V1100-F1104 VanDerWaalsContact O-N 3.11Å; R1101-F1104 PolarHBondContact O-N 2.92Å; R1102-F1104 VanDerWaalsContact C-N 3.34Å; R1102-F1104 PolarHBondContact O-N 3.37Å; F1104-A1111 HydrophobicContact CD1-CB 3.7Å; F1104-A1111 HydrophobicContact CE1-CB 3.83Å; F1104-A1111 HydrophobicContact CG-CB 4.22Å; F1104-A1111 HydrophobicContact CZ-CB 4.46Å; F1104-A1113 WeakPolarHBondContact O-CA 3.49Å; F1104-I1114 HydrophobicContact CB-CD1 3.87Å; F1104-I1114 HydrophobicContact CB-CG1 4.09Å; F1104-I1114 HydrophobicContact CD1-CD1 3.68Å; F1104-I1114 HydrophobicContact CD1-CG1 4.13Å; F1104-I1114 HydrophobicContact CG-CD1 3.95Å; F1104-I1114 HydrophobicContact CG-CG1 4.5Å; F1104-I1114 PolarHBondContact O-N 3.37Å; F1104-I1181 HydrophobicContact CE1-CB 4.47Å; F1104-I1181 HydrophobicContact CE1-CG1 4.22Å; F1104-I1181 HydrophobicContact CE1-CG2 3.86Å; F1104-I1181 HydrophobicContact CE2-CG2 4.37Å; F1104-I1181 HydrophobicContact CZ-CG2 3.61Å; F1104-F1186 AromaticContact CE2-CD1 3.98Å; F1104-F1186 HydrophobicContact CE2-CD1 3.98Å; F1104-F1186 HydrophobicContact CE2-CE1 4.05Å; F1104-F1186 AromaticContact CZ-CD1 3.84Å; F1104-F1186 HydrophobicContact CZ-CD1 3.84Å; F1104-F1186 HydrophobicContact CZ-CE1 4.38Å
1105T87.2Confident85.3Confident76 Ų7658.4 Ų58.447%0.46634%0.342SS..Hα-helixtrans-76.6-37.6176-52.10000111.5R1101 R1102 L1119R1101-T1105 WeakPolarHBondContact O-CB 3.42Å; R1101-T1105 PolarHBondContact O-N 3.46Å; R1101-T1105 PolarHBondContact O-OG1 3.47Å; R1102-T1105 PolarHBondContact O-N 2.84Å; R1102-T1105 VanDerWaalsContact O-N 3.1Å; T1105-L1119 WeakPolarHBondContact OG1-CD1 3.31Å
1106E85.4Confident85.2Confident115 Ų11562.8 Ų62.854%0.53737%0.373SS..Hα-helixtrans-96.2-13.5-175.1-63.2172.6179.900113.3R1102 I1108R1102-E1106 WeakPolarHBondContact CD-OE1 3.41Å; R1102-E1106 HydrophobicContact CG-CG 4.24Å; R1102-E1106 WeakPolarHBondContact CG-OE1 3.32Å; R1102-E1106 WeakPolarHBondContact O-CB 3.47Å; R1102-E1106 PolarHBondContact O-N 3.17Å; E1106-I1108 HydrophobicContact CB-CD1 3.72Å; E1106-I1108 HydrophobicContact CB-CG1 3.75Å; E1106-I1108 WeakPolarHBondContact OE2-CD1 3.36Å
1107G85.4Confident85.4Confident30 Ų3066.4 Ų66.431%0.30937%0.374SS..THydrogen-bonded Turntrans75.525.4-178.800000114.5N1103 A1111N1103-G1107 WeakPolarHBondContact O-CA 3.47Å; N1103-G1107 PolarHBondContact O-N 2.95Å; G1107-A1111 CarbonylContact C-O 3.57Å
1108I82.5Confident85.6Confident78 Ų7866.1 Ų66.140%0.437%0.368SS..  trans-94.3159.3-169.9-57.5-177000111.1N1103 E1106 G1110 A1111N1103-I1108 PolarHBondContact O-N 3.24Å; N1103-I1108 VanDerWaalsContact O-N 3.12Å; E1106-I1108 HydrophobicContact CB-CD1 3.72Å; E1106-I1108 HydrophobicContact CB-CG1 3.75Å; E1106-I1108 WeakPolarHBondContact OE2-CD1 3.36Å; I1108-G1110 PolarHBondContact O-N 3.25Å; I1108-G1110 VanDerWaalsContact O-N 3.11Å; I1108-A1111 VanDerWaalsContact O-CB 3.3Å; I1108-A1111 WeakPolarHBondContact O-CB 3.46Å; I1108-A1111 PolarHBondContact O-N 2.94Å
1109N79.5Confident85.8Confident106 Ų10659.1 Ų59.157%0.56734%0.336SS*.THydrogen-bonded Turntrans59.820.4176.9-64.2-45.7000115.6N1103 F1186 R1189N1103-N1109 PolarHBondContact OD1-ND2 2.85Å; N1109-F1186 HydrophobicContact CB-CD2 3.8Å; N1109-F1186 HydrophobicContact CB-CE2 4.16Å; N1109-R1189 PolarHBondContact O-NH2 3.47Å
1110G79Confident86.1Confident33 Ų3357.3 Ų57.334%0.3433%0.333SS..THydrogen-bonded Turntrans8418.4-177.300000114.1I1108 E1185 F1186I1108-G1110 PolarHBondContact O-N 3.25Å; I1108-G1110 VanDerWaalsContact O-N 3.11Å; G1110-E1185 PolarHBondContact O-N 2.94Å; G1110-F1186 PolarHBondContact O-N 3.08Å; G1110-F1186 VanDerWaalsContact O-N 3.1Å
1111A83.4Confident86.3Confident8 Ų857.4 Ų57.47%0.06633%0.334CS..PPolyproline II helixtrans-76.8143.7164.700000110N1103 F1104 G1107 I1108 F1186N1103-A1111 HydrophobicContact CB-CB 4.19Å; N1103-A1111 WeakPolarHBondContact O-CB 3.44Å; F1104-A1111 HydrophobicContact CD1-CB 3.7Å; F1104-A1111 HydrophobicContact CE1-CB 3.83Å; F1104-A1111 HydrophobicContact CG-CB 4.22Å; F1104-A1111 HydrophobicContact CZ-CB 4.46Å; G1107-A1111 CarbonylContact C-O 3.57Å; I1108-A1111 VanDerWaalsContact O-CB 3.3Å; I1108-A1111 WeakPolarHBondContact O-CB 3.46Å; I1108-A1111 PolarHBondContact O-N 2.94Å; A1111-F1186 HydrophobicContact CB-CB 3.91Å; A1111-F1186 HydrophobicContact CB-CD2 4.48Å; A1111-F1186 HydrophobicContact CB-CG 4.08Å
1112V87Confident86.5Confident57 Ų5753.8 Ų53.835%0.34532%0.32SS..PPolyproline II helixtrans-71.1135.2169170.90000108.4I1114 C1184V1112-I1114 WeakPolarHBondContact O-CG1 3.44Å; V1112-I1114 PolarHBondContact O-N 3.42Å; V1112-C1184 HydrophobicContact CG2-CB 3.77Å
1113A87Confident86.8Confident72 Ų7251.3 Ų51.360%0.59532%0.315SS*.PPolyproline II helixtrans-70120.117400000110.6F1104F1104-A1113 WeakPolarHBondContact O-CA 3.49Å
1114I87.4Confident86.9Confident15 Ų1552 Ų528%0.07732%0.317CS..  trans-108.9135.8-176.1-47.3-172.6000109.5F1104 V1112 N1118 L1119 V1177 I1181F1104-I1114 HydrophobicContact CB-CD1 3.87Å; F1104-I1114 HydrophobicContact CB-CG1 4.09Å; F1104-I1114 HydrophobicContact CD1-CD1 3.68Å; F1104-I1114 HydrophobicContact CD1-CG1 4.13Å; F1104-I1114 HydrophobicContact CG-CD1 3.95Å; F1104-I1114 HydrophobicContact CG-CG1 4.5Å; F1104-I1114 PolarHBondContact O-N 3.37Å; V1112-I1114 WeakPolarHBondContact O-CG1 3.44Å; V1112-I1114 PolarHBondContact O-N 3.42Å; I1114-N1118 HydrophobicContact CG2-CB 3.51Å; I1114-L1119 HydrophobicContact CB-CD1 4.48Å; I1114-L1119 HydrophobicContact CB-CD2 4.18Å; I1114-L1119 HydrophobicContact CB-CG 4.05Å; I1114-L1119 HydrophobicContact CD1-CD2 4.21Å; I1114-L1119 HydrophobicContact CG2-CD2 4.1Å; I1114-L1119 HydrophobicContact CG2-CG 3.85Å; I1114-V1177 HydrophobicContact CG2-CG1 4.45Å; I1114-I1181 HydrophobicContact CD1-CD1 3.6Å; I1114-I1181 HydrophobicContact CD1-CG1 3.64Å
1115S88.6Confident87.1Confident55 Ų5551.9 Ų51.939%0.38532%0.316SS..  trans-65149.1173.364.90000111.6E1117 N1118 L1119S1115-E1117 PolarHBondContact O-N 2.96Å; S1115-N1118 PolarHBondContact O-N 3.42Å; S1115-N1118 WeakPolarHBondContact OG-CB 3.38Å; S1115-N1118 VanDerWaalsContact OG-CG 3.3Å; S1115-N1118 PolarHBondContact OG-N 2.76Å; S1115-N1118 PolarHBondContact OG-ND2 2.92Å; S1115-L1119 PolarHBondContact O-N 3.49Å
1116S86.4Confident87.3Confident99 Ų9951.8 Ų51.869%0.69231%0.308SS*.Hα-helixtrans-59-31.1175.349.30000113.1L1119 A1120S1116-L1119 PolarHBondContact O-N 2.91Å; S1116-A1120 WeakPolarHBondContact O-CB 3.21Å; S1116-A1120 PolarHBondContact O-N 3.17Å
1117E88.1Confident87.4Confident137 Ų13752.4 Ų52.464%0.6431%0.311SS*.Hα-helixtrans-64.6-43.9172.1-174.9175.6-165.100112S1115 A1120 L1121S1115-E1117 PolarHBondContact O-N 2.96Å; E1117-A1120 PolarHBondContact O-N 3.37Å; E1117-L1121 WeakPolarHBondContact O-CB 3.49Å; E1117-L1121 PolarHBondContact O-N 3.34Å
1118N90.2Very high87.6Confident43 Ų4353.6 Ų53.623%0.2331%0.307CS..Hα-helixtrans-69.7-34.7176.1-77.2-8.1000111.9I1114 S1115 L1121 L1122 V1177I1114-N1118 HydrophobicContact CG2-CB 3.51Å; S1115-N1118 PolarHBondContact O-N 3.42Å; S1115-N1118 WeakPolarHBondContact OG-CB 3.38Å; S1115-N1118 VanDerWaalsContact OG-CG 3.3Å; S1115-N1118 PolarHBondContact OG-N 2.76Å; S1115-N1118 PolarHBondContact OG-ND2 2.92Å; N1118-L1121 WeakPolarHBondContact O-CB 3.22Å; N1118-L1121 PolarHBondContact O-N 3.12Å; N1118-L1122 VanDerWaalsContact O-CG 3.27Å; N1118-L1122 WeakPolarHBondContact O-CG 3.11Å; N1118-L1122 PolarHBondContact O-N 2.8Å; N1118-V1177 HydrophobicContact CB-CG1 4.41Å
1119L88.9Confident87.9Confident6 Ų650.5 Ų50.53%0.03129%0.291CS..Hα-helixtrans-65.7-42.1173.2-73171.4000111.8R1101 T1105 I1114 S1115 S1116 L1121 L1122 D1123R1101-L1119 PolarHBondContact NH2-O 3.38Å; T1105-L1119 WeakPolarHBondContact OG1-CD1 3.31Å; I1114-L1119 HydrophobicContact CB-CD1 4.48Å; I1114-L1119 HydrophobicContact CB-CD2 4.18Å; I1114-L1119 HydrophobicContact CB-CG 4.05Å; I1114-L1119 HydrophobicContact CD1-CD2 4.21Å; I1114-L1119 HydrophobicContact CG2-CD2 4.1Å; I1114-L1119 HydrophobicContact CG2-CG 3.85Å; S1115-L1119 PolarHBondContact O-N 3.49Å; S1116-L1119 PolarHBondContact O-N 2.91Å; L1119-L1121 VanDerWaalsContact C-N 3.35Å; L1119-L1121 PolarHBondContact O-N 3.26Å; L1119-L1122 PolarHBondContact O-N 2.73Å; L1119-D1123 PolarHBondContact O-N 3.11Å
1120A88.9Confident88.2Confident54 Ų5447.2 Ų47.245%0.44628%0.276SS..Hα-helixtrans-66.4-34174.600000112.9S1116 E1117 L1122 D1123 Y1124S1116-A1120 WeakPolarHBondContact O-CB 3.21Å; S1116-A1120 PolarHBondContact O-N 3.17Å; E1117-A1120 PolarHBondContact O-N 3.37Å; A1120-L1122 VanDerWaalsContact C-N 3.33Å; A1120-D1123 PolarHBondContact O-N 2.82Å; A1120-Y1124 PolarHBondContact O-N 3.34Å
1121L90.8Very high88.6Confident6 Ų647.1 Ų47.13%0.03127%0.27CS..Hα-helixtrans-62.8-39.2170.5172.667.6000111.9E1117 N1118 L1119 Y1124 L1125 V1164 T1167 V1169 A1174E1117-L1121 WeakPolarHBondContact O-CB 3.49Å; E1117-L1121 PolarHBondContact O-N 3.34Å; N1118-L1121 WeakPolarHBondContact O-CB 3.22Å; N1118-L1121 PolarHBondContact O-N 3.12Å; L1119-L1121 VanDerWaalsContact C-N 3.35Å; L1119-L1121 PolarHBondContact O-N 3.26Å; L1121-Y1124 PolarHBondContact O-N 3.28Å; L1121-L1125 HydrophobicContact CD1-CD1 4.14Å; L1121-L1125 HydrophobicContact CD1-CG 4.45Å; L1121-L1125 HydrophobicContact CG-CD1 4.09Å; L1121-L1125 WeakPolarHBondContact O-CB 3.23Å; L1121-L1125 VanDerWaalsContact O-CG 3.31Å; L1121-L1125 WeakPolarHBondContact O-CG 3.17Å; L1121-L1125 PolarHBondContact O-N 2.9Å; L1121-V1164 HydrophobicContact CD1-CB 4.2Å; L1121-V1164 HydrophobicContact CD1-CG1 4.01Å; L1121-V1164 HydrophobicContact CD1-CG2 4.31Å; L1121-T1167 HydrophobicContact CD1-CG2 3.88Å; L1121-V1169 HydrophobicContact CD1-CB 4.38Å; L1121-V1169 HydrophobicContact CD2-CB 3.94Å; L1121-V1169 HydrophobicContact CD2-CG1 3.57Å; L1121-V1169 HydrophobicContact CD2-CG2 4.24Å; L1121-A1174 HydrophobicContact CD2-CB 4.1Å
1122L91.4Very high88.7Confident3 Ų348.2 Ų48.22%0.01628%0.277CS..Hα-helixtrans-69.9-38.6176.7-68164.2000111.6L1092 L1095 N1118 L1119 A1120 Y1124 L1125 Y1126 V1177 I1178 I1181L1092-L1122 HydrophobicContact CD2-CB 4.05Å; L1092-L1122 HydrophobicContact CD2-CD2 3.82Å; L1095-L1122 HydrophobicContact CD1-CB 4.27Å; L1095-L1122 HydrophobicContact CD1-CD1 3.88Å; N1118-L1122 VanDerWaalsContact O-CG 3.27Å; N1118-L1122 WeakPolarHBondContact O-CG 3.11Å; N1118-L1122 PolarHBondContact O-N 2.8Å; L1119-L1122 PolarHBondContact O-N 2.73Å; A1120-L1122 VanDerWaalsContact C-N 3.33Å; L1122-Y1124 VanDerWaalsContact C-N 3.35Å; L1122-Y1124 PolarHBondContact O-N 2.94Å; L1122-L1125 PolarHBondContact O-N 2.92Å; L1122-Y1126 WeakPolarHBondContact O-CB 3.28Å; L1122-Y1126 PolarHBondContact O-N 3.36Å; L1122-V1177 HydrophobicContact CD1-CG1 4.04Å; L1122-I1178 HydrophobicContact CD2-CD1 4.04Å; L1122-I1178 HydrophobicContact CD2-CG1 3.59Å; L1122-I1181 HydrophobicContact CD1-CD1 3.8Å
1123D90.4Very high88.5Confident57 Ų5751.5 Ų51.531%0.30529%0.288SS..Hα-helixtrans-59.3-45.6172.1-60.6-22.2000111.6R1101 L1119 A1120 Y1126 Q1127R1101-D1123 IonicContact CZ-OD1 3.47Å; R1101-D1123 IonicContact CZ-OD2 3.45Å; R1101-D1123 IonicContact NE-OD1 3.94Å; R1101-D1123 IonicContact NH1-OD2 3.64Å; R1101-D1123 IonicContact NH2-OD1 2.65Å; R1101-D1123 PolarHBondContact NH2-OD1 3.48Å; R1101-D1123 IonicContact NH2-OD2 2.64Å; R1101-D1123 PolarHBondContact NH2-OD2 3.49Å; L1119-D1123 PolarHBondContact O-N 3.11Å; A1120-D1123 PolarHBondContact O-N 2.82Å; D1123-Y1126 WeakPolarHBondContact O-CB 3.44Å; D1123-Y1126 PolarHBondContact O-N 3.15Å; D1123-Q1127 WeakPolarHBondContact O-CG 3.4Å; D1123-Q1127 PolarHBondContact O-N 3.46Å
1124Y90.1Very high88.2Confident39 Ų3952.8 Ų52.815%0.15329%0.285CS..Hα-helixtrans-62.6-44178.2178.8-94.3000112A1120 L1121 L1122 Y1126 Q1127 K1128 V1164 P1165 T1166A1120-Y1124 PolarHBondContact O-N 3.34Å; L1121-Y1124 PolarHBondContact O-N 3.28Å; L1122-Y1124 VanDerWaalsContact C-N 3.35Å; L1122-Y1124 PolarHBondContact O-N 2.94Å; Y1124-Y1126 VanDerWaalsContact C-N 3.34Å; Y1124-Q1127 PolarHBondContact O-N 2.85Å; Y1124-K1128 HydrophobicContact CD1-CG 4.5Å; Y1124-K1128 HydrophobicContact CE1-CG 3.94Å; Y1124-K1128 HydrophobicContact CE2-CG 4.32Å; Y1124-K1128 WeakPolarHBondContact O-CB 3.47Å; Y1124-K1128 PolarHBondContact O-N 3.46Å; Y1124-V1164 HydrophobicContact CD1-CG1 3.75Å; Y1124-V1164 HydrophobicContact CE1-CG1 3.68Å; Y1124-P1165 VanDerWaalsContact CE1-O 3.23Å; Y1124-P1165 WeakPolarHBondContact CE1-O 3.36Å; Y1124-P1165 PolarHBondContact OH-O 3.25Å; Y1124-T1166 HydrophobicContact CE2-CG2 4.1Å; Y1124-T1166 WeakPolarHBondContact CE2-OG1 3.43Å
1125L91.2Very high87.7Confident1 Ų158.2 Ų58.21%0.00531%0.314CS..Hα-helixtrans-66.3-36.2176.1-73.8167.5000111.9L1121 L1122 K1128 I1129 L1156 V1164 F1171 A1174L1121-L1125 HydrophobicContact CD1-CD1 4.14Å; L1121-L1125 HydrophobicContact CD1-CG 4.45Å; L1121-L1125 HydrophobicContact CG-CD1 4.09Å; L1121-L1125 WeakPolarHBondContact O-CB 3.23Å; L1121-L1125 VanDerWaalsContact O-CG 3.31Å; L1121-L1125 WeakPolarHBondContact O-CG 3.17Å; L1121-L1125 PolarHBondContact O-N 2.9Å; L1122-L1125 PolarHBondContact O-N 2.92Å; L1125-K1128 PolarHBondContact O-N 2.91Å; L1125-I1129 HydrophobicContact CB-CD1 4.4Å; L1125-I1129 VanDerWaalsContact O-CB 3.26Å; L1125-I1129 WeakPolarHBondContact O-CB 3.26Å; L1125-I1129 VanDerWaalsContact O-CG1 3.26Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.26Å; L1125-I1129 PolarHBondContact O-N 3.4Å; L1125-L1156 HydrophobicContact CD1-CD1 4.43Å; L1125-V1164 HydrophobicContact CD2-CG1 3.82Å; L1125-V1164 HydrophobicContact CD2-CG2 4.23Å; L1125-V1164 HydrophobicContact CG-CG1 4.32Å; L1125-F1171 HydrophobicContact CD2-CE1 4.07Å; L1125-A1174 HydrophobicContact CD1-CB 3.58Å
1126Y91.3Very high87.3Confident73 Ų7357.8 Ų57.829%0.28631%0.307SS..Hα-helixtrans-60.9-51.3174179.6-122000111.5L1092 N1093 L1122 D1123 Y1124 K1128 I1129 C1130L1092-Y1126 HydrophobicContact CB-CD2 3.63Å; L1092-Y1126 HydrophobicContact CB-CE2 4.44Å; L1092-Y1126 HydrophobicContact CB-CG 4.23Å; N1093-Y1126 WeakPolarHBondContact OD1-CE2 3.19Å; N1093-Y1126 PolarHBondContact OD1-OH 3.48Å; L1122-Y1126 WeakPolarHBondContact O-CB 3.28Å; L1122-Y1126 PolarHBondContact O-N 3.36Å; D1123-Y1126 WeakPolarHBondContact O-CB 3.44Å; D1123-Y1126 PolarHBondContact O-N 3.15Å; Y1124-Y1126 VanDerWaalsContact C-N 3.34Å; Y1126-K1128 VanDerWaalsContact C-N 3.28Å; Y1126-K1128 PolarHBondContact O-N 2.92Å; Y1126-I1129 PolarHBondContact O-N 2.88Å; Y1126-C1130 HydrophobicContact CD2-CB 4.11Å; Y1126-C1130 HydrophobicContact CE2-CB 3.91Å; Y1126-C1130 WeakPolarHBondContact O-CA 3.34Å; Y1126-C1130 WeakPolarHBondContact O-CB 3.44Å; Y1126-C1130 PolarHBondContact O-N 2.83Å
1127Q88.9Confident86.8Confident129 Ų12954.4 Ų54.460%0.60329%0.288SS*.Hα-helixtrans-59.1-37.1176.5-69.3173400112.8D1123 Y1124D1123-Q1127 WeakPolarHBondContact O-CG 3.4Å; D1123-Q1127 PolarHBondContact O-N 3.46Å; Y1124-Q1127 PolarHBondContact O-N 2.85Å
1128K88.2Confident86.1Confident55 Ų5555.1 Ų55.124%0.23930%0.304CS..Hα-helixtrans-80.2-24.8-179.8-77.8-77.7165.2174.10114.6Y1124 L1125 Y1126 E1148 A1149Y1124-K1128 HydrophobicContact CD1-CG 4.5Å; Y1124-K1128 HydrophobicContact CE1-CG 3.94Å; Y1124-K1128 HydrophobicContact CE2-CG 4.32Å; Y1124-K1128 WeakPolarHBondContact O-CB 3.47Å; Y1124-K1128 PolarHBondContact O-N 3.46Å; L1125-K1128 PolarHBondContact O-N 2.91Å; Y1126-K1128 VanDerWaalsContact C-N 3.28Å; Y1126-K1128 PolarHBondContact O-N 2.92Å; K1128-E1148 IonicContact NZ-OE1 3.48Å; K1128-E1148 PolarHBondContact NZ-OE1 3.3Å; K1128-E1148 IonicContact NZ-OE2 2.72Å; K1128-E1148 PolarHBondContact NZ-OE2 2.91Å; K1128-A1149 VanDerWaalsContact O-CA 3.23Å; K1128-A1149 WeakPolarHBondContact O-CA 3.4Å; K1128-A1149 WeakPolarHBondContact O-CB 3.44Å
1129I88.7Confident85.5Confident12 Ų1256.7 Ų56.76%0.06233%0.331CS..Hα-helixtrans-97-26.4-179.8-66.9169000111.6L1085 Q1089 L1092 L1125 Y1126 P1131 A1153 L1156L1085-I1129 HydrophobicContact CD1-CG2 4.22Å; Q1089-I1129 HydrophobicContact CG-CG2 3.86Å; L1092-I1129 HydrophobicContact CD1-CD1 4.46Å; L1125-I1129 HydrophobicContact CB-CD1 4.4Å; L1125-I1129 VanDerWaalsContact O-CB 3.26Å; L1125-I1129 WeakPolarHBondContact O-CB 3.26Å; L1125-I1129 VanDerWaalsContact O-CG1 3.26Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.26Å; L1125-I1129 PolarHBondContact O-N 3.4Å; Y1126-I1129 PolarHBondContact O-N 2.88Å; I1129-P1131 WeakPolarHBondContact O-CD 3.37Å; I1129-A1153 HydrophobicContact CG1-CB 4.44Å; I1129-A1153 HydrophobicContact CG2-CB 4.42Å; I1129-L1156 HydrophobicContact CD1-CD2 3.48Å; I1129-L1156 VanDerWaalsContact CD1-CD2 3.48Å
1130C87.7Confident85.2Confident38 Ų3860.9 Ų60.926%0.25735%0.354SS..SBendtrans-122.461.2177.7-590000110.7Y1126 S1132Y1126-C1130 HydrophobicContact CD2-CB 4.11Å; Y1126-C1130 HydrophobicContact CE2-CB 3.91Å; Y1126-C1130 WeakPolarHBondContact O-CA 3.34Å; Y1126-C1130 WeakPolarHBondContact O-CB 3.44Å; Y1126-C1130 PolarHBondContact O-N 2.83Å; C1130-S1132 PolarHBondContact O-N 2.89Å
1131P86.4Confident85.1Confident31 Ų3162.1 Ų62.120%0.20135%0.353CS..  trans-63.5133.8-179.327.9-35.5000111.1I1129 W1142 I1145 A1149I1129-P1131 WeakPolarHBondContact O-CD 3.37Å; P1131-W1142 HydrophobicContact CB-CH2 4.39Å; P1131-W1142 HydrophobicContact CB-CZ3 4.14Å; P1131-W1142 HydrophobicContact CG-CH2 4.18Å; P1131-W1142 HydrophobicContact CG-CZ3 4.3Å; P1131-W1142 WeakPolarHBondContact O-CH2 3.5Å; P1131-I1145 HydrophobicContact CB-CG2 3.66Å; P1131-I1145 HydrophobicContact CG-CG2 4.02Å; P1131-A1149 HydrophobicContact CG-CB 4.09Å
1132S85.1Confident85Confident30 Ų3065.7 Ų65.721%0.2137%0.366CS..  trans-84.9149.6173-167.30000111.5C1130 D1134 D1135C1130-S1132 PolarHBondContact O-N 2.89Å; S1132-D1134 PolarHBondContact OG-N 3.32Å; S1132-D1134 VanDerWaalsContact OG-N 3.15Å; S1132-D1135 VanDerWaalsContact CB-OD2 3.22Å; S1132-D1135 WeakPolarHBondContact CB-OD2 3.49Å
1133H83.3Confident84.9Confident127 Ų12770.3 Ų70.359%0.58839%0.391SS*.SBendtrans-73.5-20.7166.6-167.9-60.1000111.4D1135 L1136H1133-D1135 VanDerWaalsContact C-N 3.29Å; H1133-D1135 PolarHBondContact O-N 3.28Å; H1133-L1136 HydrophobicContact CB-CD1 4.4Å
1134D80.3Confident84.9Confident98 Ų9872.5 Ų72.552%0.52440%0.402SS..THydrogen-bonded Turntrans-76.1-18179.1-66-19.9000112.5H33 S1132H33-D1134 IonicContact CE1-OD1 3.66Å; H33-D1134 PolarHBondContact CE1-OD1 2.87Å; H33-D1134 IonicContact CE1-OD2 3.44Å; H33-D1134 PolarHBondContact CE1-OD2 2.95Å; H33-D1134 VanDerWaalsContact CE1-OD2 3.32Å; H33-D1134 IonicContact ND1-OD1 2.73Å; H33-D1134 IonicContact ND1-OD2 3.34Å; H33-D1134 PolarHBondContact ND1-OD2 3.36Å; S1132-D1134 PolarHBondContact OG-N 3.32Å; S1132-D1134 VanDerWaalsContact OG-N 3.15Å
1135D77.5Confident84.8Confident130 Ų13072.9 Ų72.970%0.69541%0.406SS*.THydrogen-bonded Turntrans-87.3-0.1177.5-65.1-47.1000113.6S1132 H1133 G1137S1132-D1135 VanDerWaalsContact CB-OD2 3.22Å; S1132-D1135 WeakPolarHBondContact CB-OD2 3.49Å; H1133-D1135 VanDerWaalsContact C-N 3.29Å; H1133-D1135 PolarHBondContact O-N 3.28Å; D1135-G1137 PolarHBondContact O-N 3.49Å
1136L78.9Confident84.8Confident45 Ų4576.7 Ų76.724%0.23643%0.426CS..  trans-71.1121.7-176.1-80.6168.2000112.8H1133 D1140 W1142 I1145H1133-L1136 HydrophobicContact CB-CD1 4.4Å; L1136-D1140 HydrophobicContact CD2-CB 3.72Å; L1136-W1142 HydrophobicContact CD1-CB 4.41Å; L1136-W1142 HydrophobicContact CD1-CD2 4.44Å; L1136-W1142 HydrophobicContact CD1-CE3 3.92Å; L1136-W1142 HydrophobicContact CD2-CE3 4.2Å; L1136-W1142 HydrophobicContact CG-CE3 4.29Å; L1136-I1145 HydrophobicContact CD2-CD1 3.43Å; L1136-I1145 VanDerWaalsContact CD2-CD1 3.43Å
1137G77.7Confident84.7Confident28 Ų2879.3 Ų79.329%0.28944%0.441SS..  trans-73.1154170.700000112.8D1135 G1139 D1140D1135-G1137 PolarHBondContact O-N 3.49Å; G1137-G1139 PolarHBondContact O-N 2.84Å; G1137-D1140 WeakPolarHBondContact CA-OD2 3.15Å; G1137-D1140 PolarHBondContact N-OD2 2.91Å; G1137-D1140 PolarHBondContact O-N 3.11Å
1138P73.2Confident84.7Confident152 Ų15276.7 Ų76.799%0.98743%0.429SS*.THydrogen-bonded Turntrans-69.588.9178.129.2-35000111.2
1139G76.1Confident84.8Confident77 Ų7774.5 Ų74.579%0.79442%0.421SS*.THydrogen-bonded Turntrans140.7-15.2-176.300000113.6G1137G1137-G1139 PolarHBondContact O-N 2.84Å
1140D83Confident85Confident94 Ų9475.9 Ų75.950%0.50344%0.438SS..  trans-73.4131.8-178-68.1-34.5000112L1136 G1137 W1142 I1145L1136-D1140 HydrophobicContact CD2-CB 3.72Å; G1137-D1140 WeakPolarHBondContact CA-OD2 3.15Å; G1137-D1140 PolarHBondContact N-OD2 2.91Å; G1137-D1140 PolarHBondContact O-N 3.11Å; D1140-W1142 PolarHBondContact O-N 3.32Å; D1140-I1145 HydrophobicContact CB-CD1 4Å
1141N86.9Confident85.1Confident79 Ų7979.9 Ų79.942%0.42245%0.453SS..  trans-90.3105.8176.6-179.21.7000109.8N1143 L1144 I1145N1141-N1143 PolarHBondContact O-N 3.04Å; N1141-N1143 WeakPolarHBondContact OD1-CB 3.37Å; N1141-N1143 PolarHBondContact OD1-N 3.41Å; N1141-N1143 VanDerWaalsContact OD1-N 3.11Å; N1141-N1143 PolarHBondContact OD1-ND2 2.68Å; N1141-L1144 HydrophobicContact CB-CB 4.43Å; N1141-L1144 HydrophobicContact CB-CD1 4.04Å; N1141-L1144 HydrophobicContact CB-CG 4.12Å; N1141-L1144 WeakPolarHBondContact O-CB 3.23Å; N1141-L1144 PolarHBondContact O-N 3.28Å; N1141-I1145 PolarHBondContact O-N 2.9Å
1142W88.9Confident85.4Confident82 Ų8278.8 Ų78.831%0.31145%0.445SS..Hα-helixtrans-47-34.3176.7-179.5-120000114.2P1131 L1136 D1140 I1145 L1146P1131-W1142 HydrophobicContact CB-CH2 4.39Å; P1131-W1142 HydrophobicContact CB-CZ3 4.14Å; P1131-W1142 HydrophobicContact CG-CH2 4.18Å; P1131-W1142 HydrophobicContact CG-CZ3 4.3Å; P1131-W1142 WeakPolarHBondContact O-CH2 3.5Å; L1136-W1142 HydrophobicContact CD1-CB 4.41Å; L1136-W1142 HydrophobicContact CD1-CD2 4.44Å; L1136-W1142 HydrophobicContact CD1-CE3 3.92Å; L1136-W1142 HydrophobicContact CD2-CE3 4.2Å; L1136-W1142 HydrophobicContact CG-CE3 4.29Å; D1140-W1142 PolarHBondContact O-N 3.32Å; W1142-I1145 HydrophobicContact CE3-CG2 4.28Å; W1142-I1145 HydrophobicContact CZ3-CG2 4.25Å; W1142-I1145 PolarHBondContact O-N 3.08Å; W1142-L1146 HydrophobicContact CD2-CD1 4.49Å; W1142-L1146 HydrophobicContact CD2-CG 4.29Å; W1142-L1146 HydrophobicContact CH2-CD2 4.25Å; W1142-L1146 HydrophobicContact CZ2-CD1 4.29Å; W1142-L1146 HydrophobicContact CZ2-CD2 3.84Å; W1142-L1146 HydrophobicContact CZ2-CG 4.14Å; W1142-L1146 WeakPolarHBondContact O-CG 3.26Å; W1142-L1146 PolarHBondContact O-N 3.48Å
1143N89.6Confident85.7Confident100 Ų10077.8 Ų77.854%0.53544%0.439SS..Hα-helixtrans-66.8-38.9177.8-55.2-86.9000112.4N1141 I1145 L1146 E1147N1141-N1143 PolarHBondContact O-N 3.04Å; N1141-N1143 WeakPolarHBondContact OD1-CB 3.37Å; N1141-N1143 PolarHBondContact OD1-N 3.41Å; N1141-N1143 VanDerWaalsContact OD1-N 3.11Å; N1141-N1143 PolarHBondContact OD1-ND2 2.68Å; N1143-I1145 VanDerWaalsContact C-N 3.33Å; N1143-L1146 PolarHBondContact O-N 3.41Å; N1143-E1147 WeakPolarHBondContact O-CG 3.4Å; N1143-E1147 PolarHBondContact O-N 2.87Å
1144L89.6Confident86.1Confident103 Ų10373.8 Ų73.854%0.53943%0.425SS..Hα-helixtrans-69-34.1176.4-66.2177.1000111.5N1141 E1147 E1148N1141-L1144 HydrophobicContact CB-CB 4.43Å; N1141-L1144 HydrophobicContact CB-CD1 4.04Å; N1141-L1144 HydrophobicContact CB-CG 4.12Å; N1141-L1144 WeakPolarHBondContact O-CB 3.23Å; N1141-L1144 PolarHBondContact O-N 3.28Å; L1144-E1147 PolarHBondContact O-N 3.38Å; L1144-E1148 PolarHBondContact O-N 3.14Å
1145I88.2Confident86.7Confident46 Ų4670.4 Ų70.424%0.23641%0.407CS..Hα-helixtrans-68.4-40.3174.8-71.8162.9000110.7P1131 L1136 D1140 N1141 W1142 N1143 E1148 A1149P1131-I1145 HydrophobicContact CB-CG2 3.66Å; P1131-I1145 HydrophobicContact CG-CG2 4.02Å; L1136-I1145 HydrophobicContact CD2-CD1 3.43Å; L1136-I1145 VanDerWaalsContact CD2-CD1 3.43Å; D1140-I1145 HydrophobicContact CB-CD1 4Å; N1141-I1145 PolarHBondContact O-N 2.9Å; W1142-I1145 HydrophobicContact CE3-CG2 4.28Å; W1142-I1145 HydrophobicContact CZ3-CG2 4.25Å; W1142-I1145 PolarHBondContact O-N 3.08Å; N1143-I1145 VanDerWaalsContact C-N 3.33Å; I1145-E1148 PolarHBondContact O-N 3.37Å; I1145-A1149 WeakPolarHBondContact O-CB 3.41Å; I1145-A1149 PolarHBondContact O-N 3.32Å
1146L90.4Very high87.5Confident81 Ų8164.2 Ų64.242%0.42437%0.374SS..Hα-helixtrans-67-34.8172.7-72.3-179.9000113W1142 N1143 G1150W1142-L1146 HydrophobicContact CD2-CD1 4.49Å; W1142-L1146 HydrophobicContact CD2-CG 4.29Å; W1142-L1146 HydrophobicContact CH2-CD2 4.25Å; W1142-L1146 HydrophobicContact CZ2-CD1 4.29Å; W1142-L1146 HydrophobicContact CZ2-CD2 3.84Å; W1142-L1146 HydrophobicContact CZ2-CG 4.14Å; W1142-L1146 WeakPolarHBondContact O-CG 3.26Å; W1142-L1146 PolarHBondContact O-N 3.48Å; N1143-L1146 PolarHBondContact O-N 3.41Å; L1146-G1150 PolarHBondContact O-N 3.05Å
1147E90.2Very high88.1Confident128 Ų12862.9 Ų62.960%0.59837%0.368SS*.Hα-helixtrans-66.3-46.3172.8-76174.3178.200111.4N1143 L1144 G1150 E1151N1143-E1147 WeakPolarHBondContact O-CG 3.4Å; N1143-E1147 PolarHBondContact O-N 2.87Å; L1144-E1147 PolarHBondContact O-N 3.38Å; E1147-G1150 PolarHBondContact O-N 3.34Å; E1147-E1151 PolarHBondContact O-N 3.27Å
1148E88.7Confident88.7Confident75 Ų7565 Ų6535%0.3538%0.378SS..Hα-helixtrans-62.9-42.8175.2-165.3-165.7177.800111.4K1128 L1144 I1145 G1150 E1151 C1152K1128-E1148 IonicContact NZ-OE1 3.48Å; K1128-E1148 PolarHBondContact NZ-OE1 3.3Å; K1128-E1148 IonicContact NZ-OE2 2.72Å; K1128-E1148 PolarHBondContact NZ-OE2 2.91Å; L1144-E1148 PolarHBondContact O-N 3.14Å; I1145-E1148 PolarHBondContact O-N 3.37Å; E1148-G1150 VanDerWaalsContact C-N 3.35Å; E1148-G1150 PolarHBondContact O-N 3.31Å; E1148-E1151 PolarHBondContact O-N 2.78Å; E1148-C1152 WeakPolarHBondContact O-CB 3.32Å; E1148-C1152 PolarHBondContact O-N 3.34Å; E1148-C1152 PolarHBondContact O-SG 2.97Å
1149A91.2Very high89.5Confident9 Ų958.6 Ų58.67%0.07434%0.34CS..Hα-helixtrans-62.9-41.117600000111.9K1128 P1131 I1145 C1152 A1153K1128-A1149 VanDerWaalsContact O-CA 3.23Å; K1128-A1149 WeakPolarHBondContact O-CA 3.4Å; K1128-A1149 WeakPolarHBondContact O-CB 3.44Å; P1131-A1149 HydrophobicContact CG-CB 4.09Å; I1145-A1149 WeakPolarHBondContact O-CB 3.41Å; I1145-A1149 PolarHBondContact O-N 3.32Å; A1149-C1152 PolarHBondContact O-N 2.7Å; A1149-A1153 VanDerWaalsContact O-CB 3.28Å; A1149-A1153 WeakPolarHBondContact O-CB 3.19Å; A1149-A1153 PolarHBondContact O-N 3.29Å
1150G91.6Very high90.2Very high41 Ų4156.2 Ų56.242%0.42331%0.311SS..Hα-helixtrans-63.4-42.9174.900000112.9L1146 E1147 E1148 S1154L1146-G1150 PolarHBondContact O-N 3.05Å; E1147-G1150 PolarHBondContact O-N 3.34Å; E1148-G1150 VanDerWaalsContact C-N 3.35Å; E1148-G1150 PolarHBondContact O-N 3.31Å; G1150-S1154 WeakPolarHBondContact O-CB 3.45Å; G1150-S1154 PolarHBondContact O-N 3.34Å
1151E90.9Very high90.5Very high122 Ų12257.9 Ų57.957%0.5732%0.316SS*.Hα-helixtrans-62.3-46.9170.6-77-153.3-170.400111.8E1147 E1148 A1153 S1154 L1155E1147-E1151 PolarHBondContact O-N 3.27Å; E1148-E1151 PolarHBondContact O-N 2.78Å; E1151-A1153 PolarHBondContact O-N 2.87Å; E1151-S1154 PolarHBondContact O-N 3.4Å; E1151-L1155 WeakPolarHBondContact O-CB 3.37Å; E1151-L1155 VanDerWaalsContact O-CG 3.23Å; E1151-L1155 WeakPolarHBondContact O-CG 3.3Å; E1151-L1155 PolarHBondContact O-N 2.84Å
1152C91.1Very high90.6Very high7 Ų761 Ų615%0.04732%0.322CS..Hα-helixtrans-61.1-46.2-179.8-66.90000111.8E1148 A1149 L1155 L1156 F1171E1148-C1152 WeakPolarHBondContact O-CB 3.32Å; E1148-C1152 PolarHBondContact O-N 3.34Å; E1148-C1152 PolarHBondContact O-SG 2.97Å; A1149-C1152 PolarHBondContact O-N 2.7Å; C1152-L1155 PolarHBondContact O-N 3.22Å; C1152-L1156 WeakPolarHBondContact O-CB 3.21Å; C1152-L1156 PolarHBondContact O-N 3.09Å; C1152-F1171 HydrophobicContact CB-CE1 4.43Å; C1152-F1171 HydrophobicContact CB-CZ 4.5Å; C1152-F1171 WeakPolarHBondContact O-CE1 3.46Å
1153A92.2Very high90.7Very high10 Ų1062.2 Ų62.28%0.08333%0.334CS..Hα-helixtrans-61-47.7175.200000111.6L1085 I1129 A1149 E1151 L1155 L1156 V1157L1085-A1153 HydrophobicContact CD1-CB 3.84Å; L1085-A1153 HydrophobicContact CD2-CB 4.26Å; I1129-A1153 HydrophobicContact CG1-CB 4.44Å; I1129-A1153 HydrophobicContact CG2-CB 4.42Å; A1149-A1153 VanDerWaalsContact O-CB 3.28Å; A1149-A1153 WeakPolarHBondContact O-CB 3.19Å; A1149-A1153 PolarHBondContact O-N 3.29Å; E1151-A1153 PolarHBondContact O-N 2.87Å; A1153-L1155 VanDerWaalsContact C-N 3.33Å; A1153-L1155 PolarHBondContact O-N 3.08Å; A1153-L1156 PolarHBondContact O-N 2.73Å; A1153-V1157 WeakPolarHBondContact O-CB 3.48Å; A1153-V1157 WeakPolarHBondContact O-CG2 3.31Å; A1153-V1157 PolarHBondContact O-N 3.43Å
1154S92.2Very high90.5Very high42 Ų4257.5 Ų57.529%0.29431%0.309SS..Hα-helixtrans-62.2-38.2178.6-1750000112.5G1150 E1151 S1158G1150-S1154 WeakPolarHBondContact O-CB 3.45Å; G1150-S1154 PolarHBondContact O-N 3.34Å; E1151-S1154 PolarHBondContact O-N 3.4Å; S1154-S1158 WeakPolarHBondContact O-CB 3.47Å; S1154-S1158 PolarHBondContact O-N 3.34Å; S1154-S1158 PolarHBondContact O-OG 3.09Å
1155L93.2Very high90.2Very high28 Ų2855.3 Ų55.315%0.14730%0.3CS..Hα-helixtrans-70.8-35.4177.2-71.6171.5000112.9E1151 C1152 A1153 G1159 S1160 R1162 F1171E1151-L1155 WeakPolarHBondContact O-CB 3.37Å; E1151-L1155 VanDerWaalsContact O-CG 3.23Å; E1151-L1155 WeakPolarHBondContact O-CG 3.3Å; E1151-L1155 PolarHBondContact O-N 2.84Å; C1152-L1155 PolarHBondContact O-N 3.22Å; A1153-L1155 VanDerWaalsContact C-N 3.33Å; A1153-L1155 PolarHBondContact O-N 3.08Å; L1155-G1159 PolarHBondContact O-N 2.86Å; L1155-S1160 VanDerWaalsContact O-CB 3.31Å; L1155-S1160 WeakPolarHBondContact O-CB 3.48Å; L1155-S1160 PolarHBondContact O-N 3.43Å; L1155-R1162 HydrophobicContact CD2-CG 4.42Å; L1155-F1171 HydrophobicContact CB-CD1 3.89Å; L1155-F1171 HydrophobicContact CB-CD2 3.83Å; L1155-F1171 HydrophobicContact CB-CE1 3.95Å; L1155-F1171 HydrophobicContact CB-CE2 3.89Å; L1155-F1171 HydrophobicContact CB-CG 3.83Å; L1155-F1171 HydrophobicContact CB-CZ 3.95Å; L1155-F1171 HydrophobicContact CD1-CD2 4.28Å; L1155-F1171 HydrophobicContact CD1-CE2 3.74Å; L1155-F1171 HydrophobicContact CD1-CZ 4.06Å; L1155-F1171 HydrophobicContact CG-CE2 4.45Å
1156L93.3Very high89.7Confident0 Ų059 Ų590%033%0.325CS..Hα-helixtrans-68.7-51.4174.2-171.566.7000111.3M1088 L1125 I1129 C1152 A1153 S1158 G1159 F1171 A1174 R1175 I1178M1088-L1156 HydrophobicContact SD-CD2 3.69Å; M1088-L1156 HydrophobicContact SD-CG 3.77Å; L1125-L1156 HydrophobicContact CD1-CD1 4.43Å; I1129-L1156 HydrophobicContact CD1-CD2 3.48Å; I1129-L1156 VanDerWaalsContact CD1-CD2 3.48Å; C1152-L1156 WeakPolarHBondContact O-CB 3.21Å; C1152-L1156 PolarHBondContact O-N 3.09Å; A1153-L1156 PolarHBondContact O-N 2.73Å; L1156-S1158 PolarHBondContact O-N 3.03Å; L1156-G1159 PolarHBondContact O-N 3.16Å; L1156-F1171 HydrophobicContact CB-CD1 3.93Å; L1156-F1171 HydrophobicContact CB-CE1 4.48Å; L1156-F1171 HydrophobicContact CD1-CD1 4.25Å; L1156-A1174 HydrophobicContact CD1-CB 3.85Å; L1156-R1175 HydrophobicContact CD1-CB 4.32Å; L1156-I1178 HydrophobicContact CD1-CD1 4.17Å; L1156-I1178 HydrophobicContact CD2-CD1 3.81Å; L1156-I1178 HydrophobicContact CG-CD1 4.4Å
1157V92.6Very high89.3Confident16 Ų1657 Ų5710%0.09732%0.317CS..Hα-helixtrans-65.9-24.21781760000111.9R1081 D1084 L1085 M1088 A1153 G1159 R1175R1081-V1157 HydrophobicContact CB-CG1 4Å; R1081-V1157 HydrophobicContact CG-CG1 4.18Å; D1084-V1157 HydrophobicContact CB-CG1 4.35Å; L1085-V1157 HydrophobicContact CB-CG2 3.89Å; L1085-V1157 HydrophobicContact CD1-CG2 3.93Å; L1085-V1157 HydrophobicContact CG-CG2 4.45Å; M1088-V1157 HydrophobicContact SD-CG2 4.48Å; A1153-V1157 WeakPolarHBondContact O-CB 3.48Å; A1153-V1157 WeakPolarHBondContact O-CG2 3.31Å; A1153-V1157 PolarHBondContact O-N 3.43Å; V1157-G1159 VanDerWaalsContact C-N 3.34Å; V1157-R1175 PolarHBondContact O-NH1 3.03Å
1158S90.5Very high89Confident73 Ų7360.3 Ų60.351%0.5133%0.329SS..THydrogen-bonded Turntrans-83.6-3.8170.3-56.80000114.2S1154 L1156 S1160S1154-S1158 WeakPolarHBondContact O-CB 3.47Å; S1154-S1158 PolarHBondContact O-N 3.34Å; S1154-S1158 PolarHBondContact O-OG 3.09Å; L1156-S1158 PolarHBondContact O-N 3.03Å; S1158-S1160 VanDerWaalsContact C-N 3.28Å; S1158-S1160 PolarHBondContact O-N 3.45Å
1159G89.1Confident89Confident18 Ų1858 Ų5819%0.18632%0.32CS..THydrogen-bonded Turntrans58.238.3-175.900000113.1L1155 L1156 V1157 K1172L1155-G1159 PolarHBondContact O-N 2.86Å; L1156-G1159 PolarHBondContact O-N 3.16Å; V1157-G1159 VanDerWaalsContact C-N 3.34Å; G1159-K1172 VanDerWaalsContact O-CB 3.31Å; G1159-K1172 WeakPolarHBondContact O-CB 3.41Å
1160S90Very high89Confident27 Ų2757.9 Ų57.919%0.18932%0.319CS..  trans-66.8145.9-165.5-171.60000113.7L1155 S1158 R1162 F1171 K1172L1155-S1160 VanDerWaalsContact O-CB 3.31Å; L1155-S1160 WeakPolarHBondContact O-CB 3.48Å; L1155-S1160 PolarHBondContact O-N 3.43Å; S1158-S1160 VanDerWaalsContact C-N 3.28Å; S1158-S1160 PolarHBondContact O-N 3.45Å; S1160-R1162 PolarHBondContact O-N 3.14Å; S1160-R1162 PolarHBondContact OG-N 3.1Å; S1160-F1171 CarbonylContact O-C 3.54Å; S1160-F1171 WeakPolarHBondContact O-CB 3.43Å; S1160-F1171 PolarHBondContact O-N 2.91Å; S1160-K1172 PolarHBondContact O-N 3.03Å
1161Q90.2Very high89Confident129 Ų12956.1 Ų56.160%0.60330%0.299SS*.SBendtrans-77.3-6.2176-163.151.679.500113.3S1170Q1161-S1170 VanDerWaalsContact NE2-CB 3.29Å; Q1161-S1170 PolarHBondContact NE2-OG 2.66Å
1162R89.9Confident89.1Confident144 Ų14455.1 Ų55.154%0.54329%0.293SS..SBendtrans-58.1152.3170.6-67.7-170.3-173.4177.20.1110.8L1155 S1160 S1170 F1171L1155-R1162 HydrophobicContact CD2-CG 4.42Å; S1160-R1162 PolarHBondContact O-N 3.14Å; S1160-R1162 PolarHBondContact OG-N 3.1Å; R1162-S1170 CarbonylContact O-C 3.56Å; R1162-S1170 VanDerWaalsContact O-CA 3.27Å; R1162-S1170 WeakPolarHBondContact O-CA 3.38Å; R1162-F1171 HydrophobicContact CB-CD2 4.21Å; R1162-F1171 WeakPolarHBondContact O-CD2 3.26Å; R1162-F1171 PolarHBondContact O-N 3.3Å
1163L89.6Confident89.1Confident108 Ų10856.9 Ų56.957%0.56531%0.306SS*.BIsolated β-bridgetrans-78.3141.9173-59.9-179.4000110.7V1169 F1171L1163-V1169 WeakPolarHBondContact CA-O 3.27Å; L1163-F1171 WeakPolarHBondContact O-CE2 3.48Å
1164V86.3Confident89Confident1 Ų156.4 Ų56.41%0.00630%0.302CS..PPolyproline II helixtrans-69.8125.7169.2176.90000107.6L1121 Y1124 L1125 T1167 V1169 F1171L1121-V1164 HydrophobicContact CD1-CB 4.2Å; L1121-V1164 HydrophobicContact CD1-CG1 4.01Å; L1121-V1164 HydrophobicContact CD1-CG2 4.31Å; Y1124-V1164 HydrophobicContact CD1-CG1 3.75Å; Y1124-V1164 HydrophobicContact CE1-CG1 3.68Å; L1125-V1164 HydrophobicContact CD2-CG1 3.82Å; L1125-V1164 HydrophobicContact CD2-CG2 4.23Å; L1125-V1164 HydrophobicContact CG-CG1 4.32Å; V1164-T1167 PolarHBondContact O-N 3.31Å; V1164-T1167 PolarHBondContact O-OG1 2.82Å; V1164-T1167 VanDerWaalsContact O-OG1 3.07Å; V1164-V1169 PolarHBondContact N-O 3.44Å; V1164-F1171 HydrophobicContact CB-CE2 4.42Å; V1164-F1171 HydrophobicContact CB-CZ 4.43Å; V1164-F1171 HydrophobicContact CG2-CB 4.45Å; V1164-F1171 HydrophobicContact CG2-CD1 3.76Å; V1164-F1171 HydrophobicContact CG2-CD2 3.91Å; V1164-F1171 HydrophobicContact CG2-CE1 3.92Å; V1164-F1171 HydrophobicContact CG2-CE2 4.05Å; V1164-F1171 HydrophobicContact CG2-CG 3.76Å; V1164-F1171 HydrophobicContact CG2-CZ 4.07Å
1165P82Confident89Confident56 Ų5656.7 Ų56.736%0.36430%0.296SS..THydrogen-bonded Turntrans-53.4151.1-176.4-24.833.4000112.7Y1124 T1167Y1124-P1165 VanDerWaalsContact CE1-O 3.23Å; Y1124-P1165 WeakPolarHBondContact CE1-O 3.36Å; Y1124-P1165 PolarHBondContact OH-O 3.25Å; P1165-T1167 PolarHBondContact O-N 3.05Å
1166T78.8Confident89Confident123 Ų12359.6 Ų59.676%0.75531%0.31SS*.THydrogen-bonded Turntrans64.5-20.7-171.576.60000117.2Y1124Y1124-T1166 HydrophobicContact CE2-CG2 4.1Å; Y1124-T1166 WeakPolarHBondContact CE2-OG1 3.43Å
1167T81.7Confident88.9Confident40 Ų4060.2 Ų60.225%0.24531%0.314CS..SBendtrans-104.8168.8179.582.40000112.7L1121 V1164 P1165 V1169L1121-T1167 HydrophobicContact CD1-CG2 3.88Å; V1164-T1167 PolarHBondContact O-N 3.31Å; V1164-T1167 PolarHBondContact O-OG1 2.82Å; V1164-T1167 VanDerWaalsContact O-OG1 3.07Å; P1165-T1167 PolarHBondContact O-N 3.05Å; T1167-V1169 VanDerWaalsContact C-N 3.35Å; T1167-V1169 PolarHBondContact OG1-N 2.83Å
1168K84.2Confident88.9Confident197 Ų19759.4 Ų59.486%0.85731%0.309SS*.SBendtrans-94.910.5172.4-65.4178.5-177.8171.70112.9
1169V87.8Confident88.9Confident27 Ų2758.8 Ų58.816%0.16430%0.298CS..  trans-103.3143.7-170-174.10000110.2L1121 L1163 V1164 T1167 S1173L1121-V1169 HydrophobicContact CD1-CB 4.38Å; L1121-V1169 HydrophobicContact CD2-CB 3.94Å; L1121-V1169 HydrophobicContact CD2-CG1 3.57Å; L1121-V1169 HydrophobicContact CD2-CG2 4.24Å; L1163-V1169 WeakPolarHBondContact CA-O 3.27Å; V1164-V1169 PolarHBondContact N-O 3.44Å; T1167-V1169 VanDerWaalsContact C-N 3.35Å; T1167-V1169 PolarHBondContact OG1-N 2.83Å; V1169-S1173 VanDerWaalsContact CG1-CB 3.42Å
1170S91.7Very high89Confident7 Ų763 Ų635%0.04931%0.313CS..BIsolated β-bridgetrans-84152.3178.274.70000112.6Q1161 R1162 K1172 S1173 A1174Q1161-S1170 VanDerWaalsContact NE2-CB 3.29Å; Q1161-S1170 PolarHBondContact NE2-OG 2.66Å; R1162-S1170 CarbonylContact O-C 3.56Å; R1162-S1170 VanDerWaalsContact O-CA 3.27Å; R1162-S1170 WeakPolarHBondContact O-CA 3.38Å; S1170-K1172 PolarHBondContact O-N 3.29Å; S1170-S1173 WeakPolarHBondContact O-CA 3.31Å; S1170-S1173 VanDerWaalsContact O-CB 3.32Å; S1170-S1173 WeakPolarHBondContact O-CB 3.38Å; S1170-S1173 PolarHBondContact O-N 3.41Å; S1170-S1173 PolarHBondContact OG-N 2.72Å; S1170-S1173 VanDerWaalsContact OG-N 3.09Å; S1170-S1173 PolarHBondContact OG-OG 3.05Å; S1170-A1174 PolarHBondContact O-N 2.84Å
1171F92.2Very high89Confident3 Ų361.8 Ų61.81%0.01330%0.304CS..Hα-helixtrans-57.6-34173.5-78.5-85.7000111.5L1125 C1152 L1155 L1156 S1160 R1162 L1163 V1164 A1174 R1175L1125-F1171 HydrophobicContact CD2-CE1 4.07Å; C1152-F1171 HydrophobicContact CB-CE1 4.43Å; C1152-F1171 HydrophobicContact CB-CZ 4.5Å; C1152-F1171 WeakPolarHBondContact O-CE1 3.46Å; L1155-F1171 HydrophobicContact CB-CD1 3.89Å; L1155-F1171 HydrophobicContact CB-CD2 3.83Å; L1155-F1171 HydrophobicContact CB-CE1 3.95Å; L1155-F1171 HydrophobicContact CB-CE2 3.89Å; L1155-F1171 HydrophobicContact CB-CG 3.83Å; L1155-F1171 HydrophobicContact CB-CZ 3.95Å; L1155-F1171 HydrophobicContact CD1-CD2 4.28Å; L1155-F1171 HydrophobicContact CD1-CE2 3.74Å; L1155-F1171 HydrophobicContact CD1-CZ 4.06Å; L1155-F1171 HydrophobicContact CG-CE2 4.45Å; L1156-F1171 HydrophobicContact CB-CD1 3.93Å; L1156-F1171 HydrophobicContact CB-CE1 4.48Å; L1156-F1171 HydrophobicContact CD1-CD1 4.25Å; S1160-F1171 CarbonylContact O-C 3.54Å; S1160-F1171 WeakPolarHBondContact O-CB 3.43Å; S1160-F1171 PolarHBondContact O-N 2.91Å; R1162-F1171 HydrophobicContact CB-CD2 4.21Å; R1162-F1171 WeakPolarHBondContact O-CD2 3.26Å; R1162-F1171 PolarHBondContact O-N 3.3Å; L1163-F1171 WeakPolarHBondContact O-CE2 3.48Å; V1164-F1171 HydrophobicContact CB-CE2 4.42Å; V1164-F1171 HydrophobicContact CB-CZ 4.43Å; V1164-F1171 HydrophobicContact CG2-CB 4.45Å; V1164-F1171 HydrophobicContact CG2-CD1 3.76Å; V1164-F1171 HydrophobicContact CG2-CD2 3.91Å; V1164-F1171 HydrophobicContact CG2-CE1 3.92Å; V1164-F1171 HydrophobicContact CG2-CE2 4.05Å; V1164-F1171 HydrophobicContact CG2-CG 3.76Å; V1164-F1171 HydrophobicContact CG2-CZ 4.07Å; F1171-A1174 PolarHBondContact O-N 3.36Å; F1171-R1175 WeakPolarHBondContact O-CB 3.48Å; F1171-R1175 PolarHBondContact O-N 3.46Å
1172K92.8Very high89Confident102 Ų10257.4 Ų57.444%0.44328%0.284SS..Hα-helixtrans-59.7-43.5169.9-169.1174.6179.2177.30112.9G1159 S1160 S1170 R1175 M1176G1159-K1172 VanDerWaalsContact O-CB 3.31Å; G1159-K1172 WeakPolarHBondContact O-CB 3.41Å; S1160-K1172 PolarHBondContact O-N 3.03Å; S1170-K1172 PolarHBondContact O-N 3.29Å; K1172-R1175 PolarHBondContact O-N 3Å; K1172-M1176 WeakPolarHBondContact O-CG 3.36Å; K1172-M1176 PolarHBondContact O-N 3.48Å
1173S90.4Very high88.8Confident44 Ų4455.5 Ų55.531%0.30828%0.284SS..Hα-helixtrans-65.9-42.9176.6-56.50000111.5V1169 S1170 M1176 V1177V1169-S1173 VanDerWaalsContact CG1-CB 3.42Å; S1170-S1173 WeakPolarHBondContact O-CA 3.31Å; S1170-S1173 VanDerWaalsContact O-CB 3.32Å; S1170-S1173 WeakPolarHBondContact O-CB 3.38Å; S1170-S1173 PolarHBondContact O-N 3.41Å; S1170-S1173 PolarHBondContact OG-N 2.72Å; S1170-S1173 VanDerWaalsContact OG-N 3.09Å; S1170-S1173 PolarHBondContact OG-OG 3.05Å; S1173-M1176 PolarHBondContact O-N 2.65Å; S1173-V1177 PolarHBondContact O-N 2.98Å
1174A91.3Very high88.8Confident0 Ų050.8 Ų50.80%026%0.26CS..Hα-helixtrans-61.2-46.317400000111.9L1121 L1125 L1156 S1170 F1171 M1176 V1177 I1178L1121-A1174 HydrophobicContact CD2-CB 4.1Å; L1125-A1174 HydrophobicContact CD1-CB 3.58Å; L1156-A1174 HydrophobicContact CD1-CB 3.85Å; S1170-A1174 PolarHBondContact O-N 2.84Å; F1171-A1174 PolarHBondContact O-N 3.36Å; A1174-M1176 VanDerWaalsContact C-N 3.34Å; A1174-M1176 PolarHBondContact O-N 2.85Å; A1174-V1177 PolarHBondContact O-N 3.38Å; A1174-V1177 VanDerWaalsContact O-N 3.1Å; A1174-I1178 WeakPolarHBondContact O-CG1 3.31Å; A1174-I1178 PolarHBondContact O-N 2.82Å
1175R92.4Very high88.6Confident47 Ų4756.2 Ų56.218%0.17729%0.286CS..Hα-helixtrans-56.1-45.1174.6-177.6178.3174.5102.932.3111.7D1084 M1088 L1156 V1157 F1171 K1172 V1177 I1178 E1179D1084-R1175 IonicContact OD1-NH2 2.73Å; D1084-R1175 IonicContact OD2-CZ 2.7Å; D1084-R1175 VanDerWaalsContact OD2-CZ 3.29Å; D1084-R1175 IonicContact OD2-NH1 3.08Å; D1084-R1175 PolarHBondContact OD2-NH1 2.97Å; D1084-R1175 IonicContact OD2-NH2 3.33Å; D1084-R1175 PolarHBondContact OD2-NH2 2.99Å; M1088-R1175 HydrophobicContact CE-CG 4.23Å; L1156-R1175 HydrophobicContact CD1-CB 4.32Å; V1157-R1175 PolarHBondContact O-NH1 3.03Å; F1171-R1175 WeakPolarHBondContact O-CB 3.48Å; F1171-R1175 PolarHBondContact O-N 3.46Å; K1172-R1175 PolarHBondContact O-N 3Å; R1175-V1177 VanDerWaalsContact C-N 3.31Å; R1175-V1177 PolarHBondContact O-N 2.85Å; R1175-I1178 PolarHBondContact O-N 3.24Å; R1175-I1178 VanDerWaalsContact O-N 3.14Å; R1175-E1179 HydrophobicContact CG-CG 4.27Å; R1175-E1179 IonicContact CZ-OE1 3.27Å; R1175-E1179 IonicContact NE-OE1 2.76Å; R1175-E1179 PolarHBondContact NE-OE1 3.05Å; R1175-E1179 IonicContact NH2-OE1 2.91Å; R1175-E1179 PolarHBondContact NH2-OE1 3.48Å; R1175-E1179 VanDerWaalsContact NH2-OE1 3.08Å; R1175-E1179 WeakPolarHBondContact O-CB 3.47Å; R1175-E1179 WeakPolarHBondContact O-CG 3.39Å; R1175-E1179 PolarHBondContact O-N 3.35Å
1176M92.3Very high88.7Confident89 Ų8954.5 Ų54.544%0.43827%0.273SS..Hα-helixtrans-62-33.8176.6-72.5-173.6-59.300113.4K1172 S1173 A1174 Q1180K1172-M1176 WeakPolarHBondContact O-CG 3.36Å; K1172-M1176 PolarHBondContact O-N 3.48Å; S1173-M1176 PolarHBondContact O-N 2.65Å; A1174-M1176 VanDerWaalsContact C-N 3.34Å; A1174-M1176 PolarHBondContact O-N 2.85Å; M1176-Q1180 WeakPolarHBondContact O-CB 3.2Å; M1176-Q1180 WeakPolarHBondContact O-CG 3.46Å; M1176-Q1180 PolarHBondContact O-N 2.96Å
1177V91.8Very high89Confident13 Ų1350 Ų508%0.07924%0.242CC..Hα-helixtrans-68.8-42.4173.6176.50000110.6I1114 N1118 L1122 S1173 A1174 R1175 Q1180 I1181I1114-V1177 HydrophobicContact CG2-CG1 4.45Å; N1118-V1177 HydrophobicContact CB-CG1 4.41Å; L1122-V1177 HydrophobicContact CD1-CG1 4.04Å; S1173-V1177 PolarHBondContact O-N 2.98Å; A1174-V1177 PolarHBondContact O-N 3.38Å; A1174-V1177 VanDerWaalsContact O-N 3.1Å; R1175-V1177 VanDerWaalsContact C-N 3.31Å; R1175-V1177 PolarHBondContact O-N 2.85Å; V1177-Q1180 WeakPolarHBondContact O-CB 3.39Å; V1177-Q1180 PolarHBondContact O-N 3.37Å; V1177-I1181 HydrophobicContact CG1-CD1 4.3Å; V1177-I1181 WeakPolarHBondContact O-CG1 3.3Å; V1177-I1181 PolarHBondContact O-N 3.45Å
1178I92.2Very high89.1Confident0 Ų052.3 Ų52.30%025%0.249CC..Hα-helixtrans-62.7-43.3175.5-65.1172.5000110.8M1088 L1091 L1122 L1156 A1174 R1175 Q1180 I1181 Q1182M1088-I1178 HydrophobicContact CG-CG2 3.94Å; M1088-I1178 HydrophobicContact SD-CD1 4.2Å; M1088-I1178 HydrophobicContact SD-CG2 4.35Å; L1091-I1178 HydrophobicContact CD1-CG2 3.93Å; L1091-I1178 HydrophobicContact CD2-CG2 4.23Å; L1122-I1178 HydrophobicContact CD2-CD1 4.04Å; L1122-I1178 HydrophobicContact CD2-CG1 3.59Å; L1156-I1178 HydrophobicContact CD1-CD1 4.17Å; L1156-I1178 HydrophobicContact CD2-CD1 3.81Å; L1156-I1178 HydrophobicContact CG-CD1 4.4Å; A1174-I1178 WeakPolarHBondContact O-CG1 3.31Å; A1174-I1178 PolarHBondContact O-N 2.82Å; R1175-I1178 PolarHBondContact O-N 3.24Å; R1175-I1178 VanDerWaalsContact O-N 3.14Å; I1178-Q1180 VanDerWaalsContact C-N 3.33Å; I1178-Q1180 PolarHBondContact O-N 3.42Å; I1178-I1181 WeakPolarHBondContact O-CB 3.35Å; I1178-I1181 PolarHBondContact O-N 3.35Å; I1178-I1181 VanDerWaalsContact O-N 3.14Å; I1178-Q1182 HydrophobicContact CG2-CG 4.4Å; I1178-Q1182 WeakPolarHBondContact O-CG 3.35Å; I1178-Q1182 PolarHBondContact O-N 2.7Å
1179E91.4Very high88.8Confident60 Ų6049.5 Ų49.528%0.2823%0.233SC..Hα-helixtrans-64.8-33.6176.1-72.8170.8167.200112.5R1175 N1183R1175-E1179 HydrophobicContact CG-CG 4.27Å; R1175-E1179 IonicContact CZ-OE1 3.27Å; R1175-E1179 IonicContact NE-OE1 2.76Å; R1175-E1179 PolarHBondContact NE-OE1 3.05Å; R1175-E1179 IonicContact NH2-OE1 2.91Å; R1175-E1179 PolarHBondContact NH2-OE1 3.48Å; R1175-E1179 VanDerWaalsContact NH2-OE1 3.08Å; R1175-E1179 WeakPolarHBondContact O-CB 3.47Å; R1175-E1179 WeakPolarHBondContact O-CG 3.39Å; R1175-E1179 PolarHBondContact O-N 3.35Å; E1179-N1183 VanDerWaalsContact O-CB 3.3Å; E1179-N1183 WeakPolarHBondContact O-CB 3.5Å; E1179-N1183 PolarHBondContact O-N 2.9Å; E1179-N1183 PolarHBondContact O-ND2 3.42Å
1180Q90Very high87.9Confident105 Ų10554.2 Ų54.249%0.49125%0.248SC..Hα-helixtrans-65.6-39.7171.1-76.416810.600111.9M1176 V1177 I1178 N1183 C1184M1176-Q1180 WeakPolarHBondContact O-CB 3.2Å; M1176-Q1180 WeakPolarHBondContact O-CG 3.46Å; M1176-Q1180 PolarHBondContact O-N 2.96Å; V1177-Q1180 WeakPolarHBondContact O-CB 3.39Å; V1177-Q1180 PolarHBondContact O-N 3.37Å; I1178-Q1180 VanDerWaalsContact C-N 3.33Å; I1178-Q1180 PolarHBondContact O-N 3.42Å; Q1180-N1183 PolarHBondContact O-N 3.38Å; Q1180-C1184 PolarHBondContact O-N 2.83Å; Q1180-C1184 VanDerWaalsContact O-N 3.14Å
1181I90.5Very high86.5Confident2 Ų257.7 Ų57.71%0.0127%0.268CS..Hα-helixtrans-66.3-50.4174.5-64.4163.8000110.4L1091 L1095 F1104 I1114 L1122 V1177 I1178 N1183 C1184 Y1187L1091-I1181 HydrophobicContact CD1-CB 3.93Å; L1091-I1181 HydrophobicContact CD1-CG2 3.55Å; L1091-I1181 HydrophobicContact CD2-CB 4.45Å; L1091-I1181 HydrophobicContact CD2-CD1 4.06Å; L1091-I1181 HydrophobicContact CD2-CG2 4.05Å; L1091-I1181 HydrophobicContact CG-CG2 3.82Å; L1095-I1181 HydrophobicContact CD1-CD1 4.24Å; F1104-I1181 HydrophobicContact CE1-CB 4.47Å; F1104-I1181 HydrophobicContact CE1-CG1 4.22Å; F1104-I1181 HydrophobicContact CE1-CG2 3.86Å; F1104-I1181 HydrophobicContact CE2-CG2 4.37Å; F1104-I1181 HydrophobicContact CZ-CG2 3.61Å; I1114-I1181 HydrophobicContact CD1-CD1 3.6Å; I1114-I1181 HydrophobicContact CD1-CG1 3.64Å; L1122-I1181 HydrophobicContact CD1-CD1 3.8Å; V1177-I1181 HydrophobicContact CG1-CD1 4.3Å; V1177-I1181 WeakPolarHBondContact O-CG1 3.3Å; V1177-I1181 PolarHBondContact O-N 3.45Å; I1178-I1181 WeakPolarHBondContact O-CB 3.35Å; I1178-I1181 PolarHBondContact O-N 3.35Å; I1178-I1181 VanDerWaalsContact O-N 3.14Å; I1181-N1183 PolarHBondContact O-N 3.41Å; I1181-N1183 VanDerWaalsContact O-N 3.16Å; I1181-C1184 PolarHBondContact O-N 3.36Å; I1181-C1184 PolarHBondContact O-SG 3.11Å; I1181-Y1187 HydrophobicContact CG2-CD2 4.21Å; I1181-Y1187 WeakPolarHBondContact O-CB 3.22Å
1182Q89.2Confident84.8Confident38 Ų3861.9 Ų61.918%0.17829%0.29CS..Hα-helixtrans-56.4-32.8177.4-70.8176.2-14.100112.2L1091 I1178 Y1187L1091-Q1182 HydrophobicContact CD1-CB 4.44Å; L1091-Q1182 HydrophobicContact CD1-CG 3.39Å; I1178-Q1182 HydrophobicContact CG2-CG 4.4Å; I1178-Q1182 WeakPolarHBondContact O-CG 3.35Å; I1178-Q1182 PolarHBondContact O-N 2.7Å; Q1182-Y1187 HydrophobicContact CB-CD1 4.49Å; Q1182-Y1187 HydrophobicContact CB-CE1 4.49Å; Q1182-Y1187 HydrophobicContact CG-CE1 4.27Å
1183N87.5Confident82.7Confident103 Ų10364.4 Ų64.455%0.55131%0.307SS*.Hα-helixtrans-85-13.1178.6-82.5-70.3000115.5E1179 Q1180 I1181 K1188E1179-N1183 VanDerWaalsContact O-CB 3.3Å; E1179-N1183 WeakPolarHBondContact O-CB 3.5Å; E1179-N1183 PolarHBondContact O-N 2.9Å; E1179-N1183 PolarHBondContact O-ND2 3.42Å; Q1180-N1183 PolarHBondContact O-N 3.38Å; I1181-N1183 PolarHBondContact O-N 3.41Å; I1181-N1183 VanDerWaalsContact O-N 3.16Å; N1183-K1188 WeakPolarHBondContact O-CE 3.48Å; N1183-K1188 PolarHBondContact O-NZ 3.4Å; N1183-K1188 PolarHBondContact OD1-NZ 3Å
1184C87.6Confident80.4Confident9 Ų968.1 Ų68.16%0.06132%0.323CS..SBendtrans-70.6153.9-179.884.40000112.3V1112 Q1180 I1181 F1186 Y1187 K1188V1112-C1184 HydrophobicContact CG2-CB 3.77Å; Q1180-C1184 PolarHBondContact O-N 2.83Å; Q1180-C1184 VanDerWaalsContact O-N 3.14Å; I1181-C1184 PolarHBondContact O-N 3.36Å; I1181-C1184 PolarHBondContact O-SG 3.11Å; C1184-F1186 VanDerWaalsContact C-N 3.32Å; C1184-F1186 PolarHBondContact O-N 2.73Å; C1184-Y1187 PolarHBondContact O-N 3.02Å; C1184-Y1187 PolarHBondContact SG-N 3.14Å; C1184-K1188 WeakPolarHBondContact O-CG 3.47Å; C1184-K1188 PolarHBondContact O-N 3.35Å; C1184-K1188 VanDerWaalsContact O-N 3.12Å
1185E83.1Confident77.9Confident115 Ų11573.6 Ų73.654%0.53736%0.359SS..Hα-helixtrans-66.9-34.4-178.7-60.9-168.9160.500112.7G1110 Y1187 K1188 R1189G1110-E1185 PolarHBondContact O-N 2.94Å; E1185-Y1187 VanDerWaalsContact C-N 3.31Å; E1185-Y1187 PolarHBondContact O-N 3.1Å; E1185-K1188 PolarHBondContact O-N 3.2Å; E1185-R1189 VanDerWaalsContact CB-NH2 3.27Å; E1185-R1189 VanDerWaalsContact O-CB 3.31Å; E1185-R1189 WeakPolarHBondContact O-CB 3.23Å; E1185-R1189 WeakPolarHBondContact O-CG 3.35Å; E1185-R1189 PolarHBondContact O-N 3.33Å; E1185-R1189 IonicContact OE2-CZ 2.64Å; E1185-R1189 VanDerWaalsContact OE2-CZ 3.22Å; E1185-R1189 IonicContact OE2-NH1 2.73Å; E1185-R1189 PolarHBondContact OE2-NH1 2.82Å; E1185-R1189 IonicContact OE2-NH2 2.67Å; E1185-R1189 PolarHBondContact OE2-NH2 3.47Å
1186F85Confident75.2Confident20 Ų2078.6 Ų78.69%0.08839%0.389CS..Hα-helixtrans-62-38.6178.6179.6-86.1000112.3V1100 N1103 F1104 N1109 G1110 A1111 C1184 R1190V1100-F1186 HydrophobicContact CG1-CE1 4.03Å; V1100-F1186 HydrophobicContact CG2-CE1 4.36Å; V1100-F1186 HydrophobicContact CG2-CZ 4.34Å; N1103-F1186 HydrophobicContact CB-CD2 4.31Å; N1103-F1186 HydrophobicContact CB-CE2 3.78Å; N1103-F1186 HydrophobicContact CB-CZ 3.9Å; N1103-F1186 VanDerWaalsContact CG-CE2 3.49Å; F1104-F1186 AromaticContact CE2-CD1 3.98Å; F1104-F1186 HydrophobicContact CE2-CD1 3.98Å; F1104-F1186 HydrophobicContact CE2-CE1 4.05Å; F1104-F1186 AromaticContact CZ-CD1 3.84Å; F1104-F1186 HydrophobicContact CZ-CD1 3.84Å; F1104-F1186 HydrophobicContact CZ-CE1 4.38Å; N1109-F1186 HydrophobicContact CB-CD2 3.8Å; N1109-F1186 HydrophobicContact CB-CE2 4.16Å; G1110-F1186 PolarHBondContact O-N 3.08Å; G1110-F1186 VanDerWaalsContact O-N 3.1Å; A1111-F1186 HydrophobicContact CB-CB 3.91Å; A1111-F1186 HydrophobicContact CB-CD2 4.48Å; A1111-F1186 HydrophobicContact CB-CG 4.08Å; C1184-F1186 VanDerWaalsContact C-N 3.32Å; C1184-F1186 PolarHBondContact O-N 2.73Å; F1186-R1190 PolarHBondContact O-N 3.36Å
1187Y84.4Confident72.6Confident29 Ų2981.6 Ų81.611%0.11441%0.407CS..Hα-helixtrans-70.7-49.2174.8-168.8-98.3000110.5L1091 I1181 Q1182 C1184 E1185 R1189 R1190 T1191L1091-Y1187 HydrophobicContact CB-CE2 3.89Å; L1091-Y1187 HydrophobicContact CD1-CD2 4.32Å; L1091-Y1187 HydrophobicContact CD1-CE2 3.88Å; L1091-Y1187 HydrophobicContact CG-CD2 4.43Å; L1091-Y1187 HydrophobicContact CG-CE2 3.84Å; I1181-Y1187 HydrophobicContact CG2-CD2 4.21Å; I1181-Y1187 WeakPolarHBondContact O-CB 3.22Å; Q1182-Y1187 HydrophobicContact CB-CD1 4.49Å; Q1182-Y1187 HydrophobicContact CB-CE1 4.49Å; Q1182-Y1187 HydrophobicContact CG-CE1 4.27Å; C1184-Y1187 PolarHBondContact O-N 3.02Å; C1184-Y1187 PolarHBondContact SG-N 3.14Å; E1185-Y1187 VanDerWaalsContact C-N 3.31Å; E1185-Y1187 PolarHBondContact O-N 3.1Å; Y1187-R1189 PolarHBondContact O-N 3.19Å; Y1187-R1190 CarbonylContact O-C 3.59Å; Y1187-R1190 WeakPolarHBondContact O-CA 3.42Å; Y1187-R1190 PolarHBondContact O-N 2.78Å; Y1187-T1191 HydrophobicContact CD1-CG2 3.85Å; Y1187-T1191 HydrophobicContact CE1-CG2 3.44Å; Y1187-T1191 VanDerWaalsContact CE1-CG2 3.44Å; Y1187-T1191 HydrophobicContact CE2-CG2 4.37Å; Y1187-T1191 HydrophobicContact CG-CG2 4.49Å; Y1187-T1191 PolarHBondContact O-N 3.12Å; Y1187-T1191 PolarHBondContact O-OG1 3.04Å
1188K83.1Confident69.8Low88 Ų8884.3 Ų84.338%0.38344%0.437SS..Hα-helixtrans-55.6-47.2178.3-74.3168.6175.3162.90112.5N1183 C1184 E1185 R1190 T1191 I1192N1183-K1188 WeakPolarHBondContact O-CE 3.48Å; N1183-K1188 PolarHBondContact O-NZ 3.4Å; N1183-K1188 PolarHBondContact OD1-NZ 3Å; C1184-K1188 WeakPolarHBondContact O-CG 3.47Å; C1184-K1188 PolarHBondContact O-N 3.35Å; C1184-K1188 VanDerWaalsContact O-N 3.12Å; E1185-K1188 PolarHBondContact O-N 3.2Å; K1188-R1190 PolarHBondContact O-N 2.87Å; K1188-R1190 VanDerWaalsContact O-N 3.17Å; K1188-T1191 WeakPolarHBondContact CA-OG1 3.41Å; K1188-T1191 PolarHBondContact O-N 3.36Å; K1188-T1191 PolarHBondContact O-OG1 3.14Å; K1188-I1192 WeakPolarHBondContact O-CD1 3.32Å; K1188-I1192 VanDerWaalsContact O-CG1 3.25Å; K1188-I1192 WeakPolarHBondContact O-CG1 3.48Å; K1188-I1192 PolarHBondContact O-N 3.27Å
1189R77.3Confident67.2Low138 Ų13889.4 Ų89.452%0.52147%0.469SS..Hα-helixtrans-62.2-16.2174.8-79.1-169.1-80.6-92.71.3114.5N1109 E1185 Y1187N1109-R1189 PolarHBondContact O-NH2 3.47Å; E1185-R1189 VanDerWaalsContact CB-NH2 3.27Å; E1185-R1189 VanDerWaalsContact O-CB 3.31Å; E1185-R1189 WeakPolarHBondContact O-CB 3.23Å; E1185-R1189 WeakPolarHBondContact O-CG 3.35Å; E1185-R1189 PolarHBondContact O-N 3.33Å; E1185-R1189 IonicContact OE2-CZ 2.64Å; E1185-R1189 VanDerWaalsContact OE2-CZ 3.22Å; E1185-R1189 IonicContact OE2-NH1 2.73Å; E1185-R1189 PolarHBondContact OE2-NH1 2.82Å; E1185-R1189 IonicContact OE2-NH2 2.67Å; E1185-R1189 PolarHBondContact OE2-NH2 3.47Å; Y1187-R1189 PolarHBondContact O-N 3.19Å
1190R69Low64.4Low127 Ų12791.3 Ų91.348%0.47950%0.495SS..Hα-helixtrans-100.4-26.2176.2-169.2178.3-66.8-114.60.4112.9F1186 Y1187 K1188F1186-R1190 PolarHBondContact O-N 3.36Å; Y1187-R1190 CarbonylContact O-C 3.59Å; Y1187-R1190 WeakPolarHBondContact O-CA 3.42Å; Y1187-R1190 PolarHBondContact O-N 2.78Å; K1188-R1190 PolarHBondContact O-N 2.87Å; K1188-R1190 VanDerWaalsContact O-N 3.17Å
1191T63.1Low62Low79 Ų7991.3 Ų91.349%0.48550%0.502SS..Hα-helixtrans-86.6-17.4174.953.40000113.9Y1187 K1188 I1193Y1187-T1191 HydrophobicContact CD1-CG2 3.85Å; Y1187-T1191 HydrophobicContact CE1-CG2 3.44Å; Y1187-T1191 VanDerWaalsContact CE1-CG2 3.44Å; Y1187-T1191 HydrophobicContact CE2-CG2 4.37Å; Y1187-T1191 HydrophobicContact CG-CG2 4.49Å; Y1187-T1191 PolarHBondContact O-N 3.12Å; Y1187-T1191 PolarHBondContact O-OG1 3.04Å; K1188-T1191 WeakPolarHBondContact CA-OG1 3.41Å; K1188-T1191 PolarHBondContact O-N 3.36Å; K1188-T1191 PolarHBondContact O-OG1 3.14Å; T1191-I1193 PolarHBondContact O-N 2.99Å; T1191-I1193 VanDerWaalsContact O-N 3.12Å
1192I56.3Low59.8Low91 Ų9196.6 Ų96.647%0.46753%0.534SS..  trans-71.5102.2166.3-66.5161.5000107.3K1188 D1194K1188-I1192 WeakPolarHBondContact O-CD1 3.32Å; K1188-I1192 VanDerWaalsContact O-CG1 3.25Å; K1188-I1192 WeakPolarHBondContact O-CG1 3.48Å; K1188-I1192 PolarHBondContact O-N 3.27Å; I1192-D1194 VanDerWaalsContact CG2-CG 3.49Å; I1192-D1194 WeakPolarHBondContact CG2-OD1 3.47Å
1193I49.5Very low57.3Low156 Ų156100.6 Ų100.680%0.856%0.561SS**  trans-86.7100.6155.6-58.6174.1000104.7T1191 P1195T1191-I1193 PolarHBondContact O-N 2.99Å; T1191-I1193 VanDerWaalsContact O-N 3.12Å; I1193-P1195 WeakPolarHBondContact O-CD 3.42Å
1194D40.5Very low55Low122 Ų122102.5 Ų102.565%0.65257%0.571SS**  trans-62.7123174-70.2-61.7000109.4I1192I1192-D1194 VanDerWaalsContact CG2-CG 3.49Å; I1192-D1194 WeakPolarHBondContact CG2-OD1 3.47Å
1195P40.7Very low52.7Low114 Ų114108.6 Ų108.674%0.7460%0.603SS**SBendtrans-72.2128.8166.330.8-30.8000108.4I1193I1193-P1195 WeakPolarHBondContact O-CD 3.42Å
1196D34.5Very low50.6Low153 Ų153106.4 Ų106.482%0.81861%0.611SS**  trans61.592.3-176-63.6-43.1000116.3
1197D37.8Very low48.2Very low151 Ų151114.8 Ų114.881%0.80765%0.648SS**  trans-131.241.4131.4-137-14.1000110.6T1199D1197-T1199 PolarHBondContact O-N 3.11Å
1198G33.6Very low46Very low70 Ų70119.1 Ų119.172%0.72268%0.682SS**  trans-760.2-173.700000115.3
1199T37.3Very low43.7Very low108 Ų108120.1 Ų120.166%0.66370%0.7SS**  trans-141.873.5-177.4510000113.1D1197 V1201D1197-T1199 PolarHBondContact O-N 3.11Å; T1199-V1201 HydrophobicContact CG2-CG2 3.89Å; T1199-V1201 PolarHBondContact O-N 3.06Å
1200A33.3Very low41.9Very low100 Ų100121.5 Ų121.583%0.82672%0.717SS**  trans-68.857.4147.400000110.3V1202A1200-V1202 PolarHBondContact O-N 3.41Å
1201V39.7Very low40.4Very low104 Ų104121.6 Ų121.663%0.6373%0.727SS**  trans-68.2122.4177.3161.60000108.4T1199 T1203T1199-V1201 HydrophobicContact CG2-CG2 3.89Å; T1199-V1201 PolarHBondContact O-N 3.06Å; V1201-T1203 PolarHBondContact O-N 3.37Å; V1201-T1203 VanDerWaalsContact O-N 3.12Å
1202V43Very low38.9Very low114 Ų114126.7 Ų126.769%0.69175%0.745SS**  trans-59.7115.6173.4177.90000108.8A1200 N1204A1200-V1202 PolarHBondContact O-N 3.41Å; V1202-N1204 WeakPolarHBondContact CG1-ND2 3.27Å; V1202-N1204 PolarHBondContact O-N 2.97Å
1203T37.7Very low37.7Very low121 Ų121125.9 Ų125.974%0.74276%0.758SS**  trans-71.468.9179.738.40000112.4V1201 D1205V1201-T1203 PolarHBondContact O-N 3.37Å; V1201-T1203 VanDerWaalsContact O-N 3.12Å; T1203-D1205 VanDerWaalsContact C-N 3.3Å; T1203-D1205 PolarHBondContact O-N 2.64Å
1204N39.1Very low37Very low144 Ų144127.2 Ų127.277%0.7777%0.767SS**  trans-88.268.9164.3-83.1-49.3000110V1202 G1206V1202-N1204 WeakPolarHBondContact CG1-ND2 3.27Å; V1202-N1204 PolarHBondContact O-N 2.97Å; N1204-G1206 PolarHBondContact O-N 3.44Å
1205D39Very low36.5Very low136 Ų136126.6 Ų126.673%0.72777%0.771SS**  trans-71.362.2174.2-97.1-61.8000112.6T1203 K1207T1203-D1205 VanDerWaalsContact C-N 3.3Å; T1203-D1205 PolarHBondContact O-N 2.64Å; D1205-K1207 PolarHBondContact O-N 3.07Å
1206G37.9Very low36.1Very low69 Ų69128.4 Ų128.471%0.71178%0.775SS**  trans-72.179.6159.200000109.7N1204 S1208N1204-G1206 PolarHBondContact O-N 3.44Å; G1206-S1208 PolarHBondContact O-N 3.17Å
1207K35.8Very low36.2Very low196 Ų196126.7 Ų126.785%0.85278%0.775SS**  trans-39.8117.3-175.1-66.7174.3179.7174.30114D1205D1205-K1207 PolarHBondContact O-N 3.07Å
1208S38.2Very low35.9Very low120 Ų120129.1 Ų129.184%0.83978%0.779SS**  trans-145136.3150.460.90000109.7G1206G1206-S1208 PolarHBondContact O-N 3.17Å
1209S34.8Very low35.7Very low109 Ų109129.8 Ų129.876%0.76279%0.786SS**  trans-100.5127.2-167.2540000112.4
1210I39.5Very low35.5Very low168 Ų168128.3 Ų128.386%0.86279%0.792SS**  trans-133.1106.7158.5-50.2179.2000107
1211N36.3Very low35.4Very low129 Ų129131.4 Ų131.469%0.6979%0.794SS**  trans-82.5151.6176.7-89.821.2000111.4
1212E32.5Very low35.1Very low186 Ų186131.3 Ų131.387%0.86980%0.797SS**  trans61121.8155.8-68.3164.8-125.200118
1213G31.9Very low34.8Very low73 Ų73131.7 Ų131.775%0.75379%0.793SS**  trans173.9-26.7170.800000117.7
1214L34.3Very low34.6Very low185 Ų185130.9 Ų130.997%0.96979%0.788SS**  trans-134.966-172.4-69.1175.9000113.6
1215S28.7Very low34.5Very low108 Ų108129.1 Ų129.176%0.75578%0.778SS**  trans-104.5123.7158.4-176.40000108.7
1216N33.2Very low34.6Very low153 Ų153128.2 Ų128.282%0.81878%0.777SS**SBendtrans122.162.4177.7-67.3-41.3000115.4
1217S36.6Very low34.7Very low117 Ų117132.5 Ų132.582%0.81878%0.784SS**  trans-163.9154.1152.8-88.50000111.9
1218F31Very low34.8Very low201 Ų201126.7 Ų126.788%0.88278%0.78SS**  trans57.491173.3-95.2-101000117.3
1219G30.9Very low34.7Very low85 Ų85128.6 Ų128.688%0.87678%0.781SS**  trans-172.998.516400000110.9
1220G31.6Very low34.9Very low76 Ų76130.6 Ų130.678%0.78478%0.782SS**  trans142.953.2177.200000117.4S1222G1220-S1222 PolarHBondContact O-N 2.85Å
1221L32.5Very low34.8Very low166 Ų166128 Ų12887%0.86979%0.786SS**  trans-93.573.9168.3-72.8178.1000111.5
1222S33.3Very low34.6Very low101 Ų101124.1 Ų124.171%0.70678%0.776SS**  trans-112102.3165.9-175.60000109.7G1220 T1224G1220-S1222 PolarHBondContact O-N 2.85Å; S1222-T1224 VanDerWaalsContact C-N 3.34Å; S1222-T1224 PolarHBondContact O-N 3.4Å
1223M35.2Very low34.6Very low123 Ų123123.3 Ų123.361%0.60678%0.778SS**  trans-71.279.3-173.3-88.3-102.5-70.900112.8A49 I1225A49-M1223 HydrophobicContact CB-CE 3.64Å; M1223-I1225 HydrophobicContact CE-CD1 4.23Å; M1223-I1225 PolarHBondContact O-N 3.05Å
1224T35.3Very low34.3Very low103 Ų103125.6 Ų125.663%0.63278%0.781SS**  trans-91.486.5171.6-47.80000109.9S1222 T1226S1222-T1224 VanDerWaalsContact C-N 3.34Å; S1222-T1224 PolarHBondContact O-N 3.4Å; T1224-T1226 HydrophobicContact CG2-CG2 4.11Å; T1224-T1226 PolarHBondContact O-N 3.18Å; T1224-T1226 PolarHBondContact O-OG1 3.49Å
1225I35.5Very low34.2Very low107 Ų107123.3 Ų123.355%0.54978%0.779SS.*  trans-66.694.9179-56.4179.4000109.8M1223M1223-I1225 HydrophobicContact CE-CD1 4.23Å; M1223-I1225 PolarHBondContact O-N 3.05Å
1226T41.8Very low34.4Very low117 Ų117122.8 Ų122.872%0.71878%0.78SS**  trans-100.9101.5176.938.80000109.8T1224 G1228T1224-T1226 HydrophobicContact CG2-CG2 4.11Å; T1224-T1226 PolarHBondContact O-N 3.18Å; T1224-T1226 PolarHBondContact O-OG1 3.49Å; T1226-G1228 PolarHBondContact O-N 3.42Å
1227N40.4Very low34.3Very low159 Ų159125.9 Ų125.985%0.8579%0.787SS**  trans-66.797174.8-82.3-31000110.4N1229N1227-N1229 PolarHBondContact O-N 2.97Å; N1227-N1229 VanDerWaalsContact O-N 3.07Å
1228G36.5Very low34.2Very low75 Ų75124.9 Ų124.977%0.77379%0.786SS**  trans-69.298.9-172.400000113.8T1226T1226-G1228 PolarHBondContact O-N 3.42Å
1229N37.2Very low34.2Very low160 Ų160121.2 Ų121.286%0.85679%0.785SS**  trans-152.853.7158.7-133-34.3000112.3N1227N1227-N1229 PolarHBondContact O-N 2.97Å; N1227-N1229 VanDerWaalsContact O-N 3.07Å
1230L39.3Very low34.4Very low151 Ų151123 Ų12379%0.79178%0.781SS**  trans-124.895.1169.4-81.3171.3000109.6
1231A36.7Very low34.6Very low114 Ų114128.2 Ų128.294%0.94279%0.785SS**  trans-87.499.8160.500000108
1232G31.6Very low34.8Very low46 Ų46127.5 Ų127.547%0.47478%0.779SS.*SBendtrans156142.5-178.800000112.1
1233D32.9Very low34.8Very low170 Ų170130 Ų13091%0.90978%0.784SS**  trans61.252.2162.9-52.2-21000118.3
1234C27Very low34.6Very low121 Ų121126.8 Ų126.882%0.81878%0.783SS**  trans-13640.1173.6-75.50000114.8
1235C30.2Very low34.7Very low137 Ų137130.8 Ų130.893%0.92679%0.794SS**  trans-153.379.2176.8-100.30000114.9
1236A33.1Very low34.7Very low96 Ų96133.6 Ų133.679%0.79381%0.807SS**  trans-164.665.5167.500000115.5
1237K31.3Very low34.6Very low218 Ų218136 Ų13695%0.94881%0.81SS**SBendtrans-176.665.8158.1-105.6159.6-174.4-179.60114.2
1238A34.6Very low34.3Very low97 Ų97136.6 Ų136.680%0.80281%0.807SS**  trans-150146.9162.500000109.2
1239S30.5Very low34.1Very low124 Ų124136.4 Ų136.487%0.86781%0.805SS**  trans-85.7134.8-172.7-60.70000113.4
1240P35.7Very low34Very low123 Ų123136.8 Ų136.880%0.79980%0.801SS**  trans-112.6109.3157.833.6-21.3000111.1
1241E35.7Very low33.4Very low184 Ų184135.7 Ų135.786%0.8680%0.795SS**  trans-108.3159.3156.4-71.1-163.4132.400108.9
1242M36.5Very low33Very low152 Ų152135.1 Ų135.175%0.74978%0.784SS**  trans75.4100.9-166.8-51.3-65.5-81.500112.8
1243L33.4Very low32.9Very low152 Ų152142.3 Ų142.380%0.79680%0.803SS**  72.6130.697-96.370.9000113.7
1244G32.4Very low32.8Very low57 Ų57140.5 Ų140.559%0.58879%0.793SS**  cis143.1142.5-5.400000112.4
1245H35.8Very low33Very low186 Ų186142.4 Ų142.486%0.86179%0.79SS**  trans77.5146.1-176.4-45.693.6000114.5
1246M36.7Very low33.1Very low167 Ų167143.7 Ų143.782%0.82378%0.782SS**  cis-133.9157.40.5-85.2-154.9-7800114.4
1247H38.5Very low33.2Very low168 Ų168146 Ų14678%0.77878%0.781SS**  trans-11.8167.9146.9-75.2-111.8000121.3
1248H34Very low33.3Very low171 Ų171142.5 Ų142.579%0.79277%0.768SS**  cis172.1150.1-31.8-130.4-79.3000108.2
1249G33.3Very low33.3Very low71 Ų71143.9 Ų143.973%0.73277%0.767SS**  trans129.6152.3160.400000117.8
1250H34.2Very low33.4Very low167 Ų167144.6 Ų144.677%0.77376%0.758SS**  -167.5136.4-80.8175.2-105.3000112.7
1251L28.1Very low33.4Very low129 Ų129145.3 Ų145.368%0.67575%0.754SS**  trans51.6115.3167.8-69.9-177.1000122.6
1252S28.3Very low33.3Very low102 Ų102142.8 Ų142.871%0.71375%0.751SS**  34.7125.1111.2-45.80000122.5
1253F28.9Very low33.1Very low196 Ų196138.9 Ų138.986%0.8675%0.751SS**  -151-179.4129.8-144-109000113
1254L30Very low33.2Very low133 Ų133138.8 Ų138.870%0.69676%0.756SS**  trans-79.5153.7-172.2-54.8169.4000114
1255Q32.2Very low33.1Very low161 Ų161143.6 Ų143.675%0.75276%0.763SS**  175.1174112.4-158.950.445.600110.3
1256E32.7Very low33.1Very low164 Ų164139.7 Ų139.777%0.76676%0.755SS**  trans-108152.4-164.3-57.7164.1103.300115.9
1257D34Very low32.8Very low143 Ų143138.4 Ų138.477%0.76575%0.747SS**  trans99.1155.6134.2-144.213.2000122.9
1258Q33.9Very low32.4Very low146 Ų146138.7 Ų138.768%0.68275%0.746SS**  trans81.6109.7157.7-77.3172.783.400123.7
1259T35.4Very low32.4Very low126 Ų126137.1 Ų137.177%0.77374%0.743SS**  trans76.1157.1134.5600000121.7
1260M31.2Very low32.1Very low139 Ų139140.3 Ų140.369%0.68574%0.744SS**  cis-175148.1-45.4-110.2-88.2-79.700111.9
1261L36.6Very low32Very low138 Ų138141.3 Ų141.372%0.72375%0.751SS**  trans71.2161.3164.5-52.8160.6000117.9
1262T33.6Very low32.1Very low130 Ų130141.1 Ų141.180%0.79875%0.75SS**  cis-167.1150.5-2928.70000112.7
1263G32.9Very low32.2Very low71 Ų71146.4 Ų146.473%0.73276%0.761SS**  trans91.9156.5157.100000117.2
1264T34.4Very low32.3Very low150 Ų150142.6 Ų142.692%0.9275%0.754SS**  cis-158.7159-51.70000112.7
1265Q29.9Very low32.7Very low157 Ų157141.8 Ų141.873%0.73476%0.756SS**  trans-77.7172.9173.5-89.4-93.1-18.100112.3
1266P37.2Very low32.7Very low105 Ų105140.6 Ų140.668%0.68276%0.76SS**  -163.3156.350.743.5-19000124.6
1267H30.3Very low32.7Very low140 Ų140135.8 Ų135.865%0.64875%0.754SS**  trans59.5154.5132.6-69.5-55.1000128.2
1268F30.3Very low32.6Very low173 Ų173138.1 Ų138.176%0.75976%0.763SS**  trans96144151-58.6-68.1000119.8
1269N32.3Very low32.7Very low139 Ų139138.1 Ų138.174%0.74377%0.768SS**  cis-167.5160.5-38.7-119.922.5000112.7
1270N28.8Very low32.5Very low138 Ų138137.7 Ų137.774%0.73876%0.761SS**  trans-58.4159.3-176.6-57.8-7.9000117.9
1271M31.9Very low32.5Very low188 Ų188137.9 Ų137.993%0.92677%0.769SS**  trans-144.2150.5135-100-58.2-164.200111.3
1272N29.4Very low32.2Very low124 Ų124140.3 Ų140.366%0.66377%0.77SS**  trans-104.7161-173.7-55.8-26.6000112.4
1273F29.6Very low32.3Very low213 Ų213140.1 Ų140.193%0.93477%0.771SS**  trans-158.1153131.9-114.8-76.8000111.3
1274V32.6Very low32.2Very low117 Ų117143.3 Ų143.371%0.70977%0.768SS**  trans-145.8139.3-168.8174.70000109.4
1275P36.9Very low32.3Very low116 Ų116140.6 Ų140.675%0.75376%0.761SS**  -146.7141.4121.235.2-18.3000116.7
1276V33.8Very low32.4Very low136 Ų136141.6 Ų141.682%0.82477%0.768SS**  32.2133.3126.8-168.20000119.4
1277G31.2Very low32.2Very low63 Ų63139.6 Ų139.665%0.64977%0.766SS**  cis127.6126.5-4.400000114.5
1278M33.2Very low32.3Very low191 Ų191139.1 Ų139.194%0.94177%0.774SS**  trans-141.2141.6164.8-74.9-163.175.700112.3
1279N34.3Very low32.4Very low147 Ų147138 Ų13879%0.78677%0.774SS**  trans-83.3171.1-175.5-53.2-38000111
1280N31.6Very low32.4Very low117 Ų117141.8 Ų141.863%0.62678%0.78SS**  cis-162.8132.3-4.3-124.50000108.7
1281V32.7Very low32.7Very low142 Ų142140.2 Ų140.286%0.86178%0.779SS**  trans-141.5122.6159-178.10000108.5
1282Y29.4Very low32.6Very low190 Ų190139.1 Ų139.175%0.74577%0.772SS**  trans-88.9125.6178.8-84.4-102000111M1284Y1282-M1284 PolarHBondContact O-N 3.42Å
1283P35.5Very low32.9Very low125 Ų125138.2 Ų138.281%0.81278%0.775SS**  trans-75.6111164.430.1-31000109.7
1284M31.2Very low33Very low138 Ų138131.4 Ų131.468%0.6876%0.758SS**  trans-72.9126.4172.4-93.3-72.7-8200110.7S955 Y1282 M1286S955-M1284 VanDerWaalsContact OG-CE 3.29Å; S955-M1284 WeakPolarHBondContact OG-CE 2.97Å; S955-M1284 PolarHBondContact OG-SD 3.23Å; Y1282-M1284 PolarHBondContact O-N 3.42Å; M1284-M1286 PolarHBondContact O-N 2.95Å
1285A35.6Very low33Very low94 Ų94132.2 Ų132.278%0.77776%0.763SS**  trans-83.7110.1-176.700000111.9G1287A1285-G1287 VanDerWaalsContact C-N 3.26Å; A1285-G1287 PolarHBondContact O-N 2.93Å
1286M32.1Very low32.8Very low177 Ų177132.7 Ų132.787%0.87277%0.766SS**  trans-75.774.6171.6-78.2-68.1-79.500111.6M1284 T1288M1284-M1286 PolarHBondContact O-N 2.95Å; M1286-T1288 PolarHBondContact O-N 2.93Å
1287G32.9Very low32.7Very low63 Ų63131.4 Ų131.465%0.64975%0.754SS**  trans-67.9115.3172.100000111.6A1285 I1289A1285-G1287 VanDerWaalsContact C-N 3.26Å; A1285-G1287 PolarHBondContact O-N 2.93Å; G1287-I1289 PolarHBondContact O-N 2.93Å
1288T33.4Very low32.9Very low130 Ų130137.9 Ų137.980%0.79877%0.768SS**  trans-76.888.7-174-33.80000112.4M1286 Y1290M1286-T1288 PolarHBondContact O-N 2.93Å; T1288-Y1290 HydrophobicContact CG2-CD2 4.4Å
1289I31.7Very low32.8Very low149 Ų149132.5 Ų132.576%0.76476%0.761SS**  trans-97.499172.2-56179000109.6G1287G1287-I1289 PolarHBondContact O-N 2.93Å
1290Y31.8Very low32.7Very low220 Ų220130.6 Ų130.686%0.86375%0.751SS**  trans-98.1102.8160.3-98.8-81.8000108.7T1288T1288-Y1290 HydrophobicContact CG2-CD2 4.4Å
1291S34.8Very low32.8Very low105 Ų105133.6 Ų133.673%0.73476%0.761SS**  trans-154.4125.1173.2-68.60000109
1292Q31.1Very low32.6Very low164 Ų164130.5 Ų130.577%0.76674%0.742SS**  trans-91.5128.9-178.5-63.4173.30.600110.3
1293S35.5Very low32.8Very low106 Ų106128.2 Ų128.274%0.74175%0.748SS**  trans-157.2127.9157.755.90000110.6
1294A31.3Very low32.4Very low69 Ų69132.5 Ų132.557%0.5775%0.749SS**  trans-99.9141.8174.600000110.3
1295V33.6Very low32.3Very low135 Ų135130 Ų13082%0.81875%0.75SS**  trans-139.8138.4175.5-178.70000107.3
1296P32.6Very low32.1Very low126 Ų126131.7 Ų131.782%0.81876%0.757SS**  trans-91169.9-154.935.2-38.3000116.4
1297L30.7Very low32.1Very low108 Ų108126.6 Ų126.657%0.56575%0.749SS**  trans-66.4141.9172-66.4143.4000112.9Q1342L1297-Q1342 HydrophobicContact CD1-CG 4.32Å; L1297-Q1342 HydrophobicContact CD2-CG 4.35Å
1298Q35.1Very low32.1Very low200 Ų200132.5 Ų132.594%0.93577%0.765SS**  177157.1112.6-97.2-177.95.500112.2
1299G32.7Very low32Very low78 Ų78129.2 Ų129.280%0.80476%0.757SS**  trans110.693.8163.400000115.9
1300N32.2Very low32.1Very low106 Ų106130.6 Ų130.657%0.56776%0.764SS**  trans-72.4142.2169.9-76.2-34000111.6
1301H32.3Very low32.1Very low180 Ų180126.3 Ų126.383%0.83376%0.756SS**  -155.8142.1124.4-122.1-80.5000112.3
1302V30Very low32.2Very low77 Ų77129 Ų12947%0.46776%0.759SS.*  trans-119.5134.8-179.3170.80000109.4Y1304 N1337V1302-Y1304 HydrophobicContact CG1-CD2 4.35Å; V1302-Y1304 HydrophobicContact CG1-CE2 4.43Å; V1302-N1337 WeakPolarHBondContact CG2-ND2 3.35Å
1303V32.4Very low32.5Very low143 Ų143127 Ų12787%0.86775%0.754SS**  trans-146149.2150.7-179.30000108.5
1304Y27.4Very low32.4Very low214 Ų214129.7 Ų129.784%0.83976%0.76SS**  trans-89.1174.1-174.8-90.6-110.6000114.7V1302V1302-Y1304 HydrophobicContact CG1-CD2 4.35Å; V1302-Y1304 HydrophobicContact CG1-CE2 4.43Å
1305A29.9Very low32.5Very low85 Ų85131.3 Ų131.370%0.70277%0.765SS**  trans115102.9135.800000118.9
1306S30.9Very low32.5Very low131 Ų131133.2 Ų133.292%0.91677%0.769SS**  51.1124.6119.9-50.20000121.8
1307G31.3Very low32.5Very low70 Ų70132 Ų13272%0.72276%0.762SS**  trans175.310715600000116
1308L33.4Very low33Very low186 Ų186132.8 Ų132.897%0.97477%0.773SS**  trans28.8141.5139.6-48175.1000120.1
1309G31.3Very low33.2Very low62 Ų62128.2 Ų128.264%0.63976%0.761SS**  cis156.7-154.8600000111.2
1310I34.8Very low33.1Very low178 Ų178129.1 Ų129.191%0.91376%0.761SS**  trans81139.2172.1-50.5166.9000115.6
1311D31Very low33.2Very low129 Ų129128 Ų12869%0.6977%0.766SS**  cis-173.4157.3-35.6-163.1-11.6000106.3
1312M36.5Very low33.2Very low162 Ų162124 Ų12480%0.79876%0.758SS**  trans174.293.5145.7-95.3-61.8163.100110.8
1313N37.6Very low33.2Very low122 Ų122127.6 Ų127.665%0.65277%0.77SS**  trans34.3117.6139.6-55.9-62.2000118.1
1314N33Very low33.3Very low162 Ų162126.9 Ų126.987%0.86676%0.762SS**  -165.5136.671.3-161.223.3000111.4
1315P33.5Very low33.5Very low103 Ų103120.9 Ų120.967%0.66976%0.756SS**  trans-104.3144.9-170.237.3-32.7000115.4
1316I34.1Very low33.6Very low176 Ų176125.6 Ų125.690%0.90376%0.761SS**  trans-132.497147.3-59.3-176.4000108.6
1317C33.3Very low33.6Very low101 Ų101126 Ų12668%0.68275%0.753SS**  trans-89.9160.3160.2-112.50000108.5
1318P40Very low33.7Very low124 Ų124125.9 Ų125.981%0.80575%0.751SS**  -139.9168.684.824.1-1.6000115.8
1319P38.7Very low33.8Very low104 Ų104122.1 Ų122.168%0.67574%0.741SS**  trans-140.9-158-14544.6-25.1000115.3
1320A32.1Very low33.7Very low96 Ų96126.5 Ų126.579%0.79375%0.749SS**  trans70.9158.8156.800000117.2
1321A34.2Very low33.7Very low82 Ų82124.3 Ų124.368%0.67875%0.746SS**  cis-133.6157.21.500000108.1
1322S31.7Very low33.7Very low96 Ų96122.9 Ų122.967%0.67175%0.752SS**  cis65142.139.599.10000112.7
1323E30.6Very low33.5Very low153 Ų153119.7 Ų119.772%0.71575%0.752SS**  cis-169.9172.76.5-143.7171-125.700112.8
1324N33.1Very low33.2Very low129 Ų129120 Ų12069%0.6976%0.758SS**  trans72.4132.5159.1-55.3-42.8000119.1
1325A32.2Very low33.1Very low87 Ų87117.7 Ų117.772%0.71975%0.749SS**  cis84.9117.614.800000117.7
1326F32.2Very low33Very low184 Ų184119.9 Ų119.981%0.80775%0.75SS**  trans-179.6157.7159.8-127.5-89.8000110.4Q114Q114-F1326 PolarHBondContact NE2-O 3.29Å
1327D30.9Very low32.6Very low140 Ų140115 Ų11575%0.74973%0.726SS**  -156.5160.7-61.1-163.5-11.4000107.1
1328G33.4Very low32.6Very low67 Ų67121.2 Ų121.269%0.69174%0.736SS**  trans178.663.5-172.200000121.9
1329S35.2Very low31.9Very low107 Ų107124.3 Ų124.375%0.74874%0.737SS**  trans36.4104.1149-171.30000122
1330L28.9Very low31.3Very low154 Ų154123.9 Ų123.981%0.80673%0.732SS**  23.8138.1118.6-65.6176.6000120
1331P35.8Very low31.2Very low132 Ų132131.3 Ų131.386%0.85774%0.739SS**  -135.217476.340-28000116.1
1332A29.6Very low31.1Very low100 Ų100132.1 Ų132.183%0.82673%0.729SS**  trans-94.2141.8-165.900000115.5
1333A33.2Very low30.9Very low95 Ų95133.2 Ų133.279%0.78574%0.737SS**  trans-144.2111.4158.100000111.3
1334V31.3Very low30.8Very low129 Ų129132.4 Ų132.478%0.78273%0.733SS**  trans41.4114130.4-178.10000119
1335V30.1Very low30.5Very low113 Ų113132.5 Ų132.569%0.68573%0.734SS**  trans41.9122.4130.4-171.30000116.7
1336E32.3Very low30.5Very low148 Ų148134.4 Ų134.469%0.69274%0.736SS**  -160.7149.966.5-160.8161.1-122.100115.4
1337N26.5Very low30.5Very low74 Ų74127.5 Ų127.540%0.39672%0.717SS.*  trans-69.2131.6168.8-76.1-35.4000111.3V1302V1302-N1337 WeakPolarHBondContact CG2-ND2 3.35Å
1338R32Very low30.3Very low232 Ų232130 Ų13088%0.87572%0.717SS**  trans-121.439.9156.2-73-161.8-176.8-1794.6114.2
1339F25.6Very low30.2Very low189 Ų189134 Ų13483%0.82972%0.72SS**  trans-63163.7130.4-109.3-96.9000109
1340V27.3Very low30Very low94 Ų94135 Ų13557%0.5772%0.717SS**  trans76.282.7-174.2-167.80000113.9Q1342V1340-Q1342 HydrophobicContact CG1-CB 4.31Å; V1340-Q1342 HydrophobicContact CG1-CG 3.34Å
1341R29.9Very low30Very low252 Ų252137.4 Ų137.495%0.95172%0.716SS**  -83126.2122.7-91.6-171.2173.2-108.70.6106.4S1343R1341-S1343 PolarHBondContact O-N 2.81Å
1342Q30.6Very low29.7Very low100 Ų100139.7 Ų139.747%0.46772%0.718SS.*  trans-70.6122.3-174.3-67.3171.7-3.300110.5L1297 V1340 Q1344L1297-Q1342 HydrophobicContact CD1-CG 4.32Å; L1297-Q1342 HydrophobicContact CD2-CG 4.35Å; V1340-Q1342 HydrophobicContact CG1-CB 4.31Å; V1340-Q1342 HydrophobicContact CG1-CG 3.34Å; Q1342-Q1344 HydrophobicContact CB-CG 3.82Å; Q1342-Q1344 PolarHBondContact O-N 3.09Å
1343S27.4Very low29.8Very low119 Ų119143.6 Ų143.683%0.83272%0.719SS**  trans-65.881149.843.20000108.3R1341 N1345R1341-S1343 PolarHBondContact O-N 2.81Å; S1343-N1345 PolarHBondContact O-N 2.93Å
1344Q29.8Very low29.7Very low135 Ų135143.9 Ų143.963%0.63172%0.721SS**  trans-68.2109.3171.2-71.2-161.1-2.900108.4Q1342 V1346Q1342-Q1344 HydrophobicContact CB-CG 3.82Å; Q1342-Q1344 PolarHBondContact O-N 3.09Å; Q1344-V1346 VanDerWaalsContact C-N 3.3Å; Q1344-V1346 HydrophobicContact CB-CG2 4.42Å; Q1344-V1346 PolarHBondContact O-N 3.29Å
1345N27.4Very low29.7Very low132 Ų132146.7 Ų146.771%0.70673%0.726SS**  trans-76.780.3-178.5-169.2-5.9000109.1S1343 G1347S1343-N1345 PolarHBondContact O-N 2.93Å; N1345-G1347 VanDerWaalsContact C-N 3.34Å; N1345-G1347 PolarHBondContact O-N 3.04Å
1346V31Very low29.8Very low127 Ų127150.8 Ų150.877%0.7774%0.737SS**  trans-7585.8-175.5-174.70000110.4Q1344Q1344-V1346 VanDerWaalsContact C-N 3.3Å; Q1344-V1346 HydrophobicContact CB-CG2 4.42Å; Q1344-V1346 PolarHBondContact O-N 3.29Å
1347G31.5Very low29.8Very low39 Ų39151.8 Ų151.840%0.40274%0.742SS.*  trans-66.1156.1156.500000111.4N1345 M1349N1345-G1347 VanDerWaalsContact C-N 3.34Å; N1345-G1347 PolarHBondContact O-N 3.04Å; G1347-M1349 PolarHBondContact O-N 3.24Å
1348Y27.6Very low30Very low193 Ų193155 Ų15576%0.75776%0.763SS**  trans-53.4130.8176.5-96.2-115.7000113
1349M30.3Very low29.9Very low151 Ų151150.3 Ų150.374%0.74475%0.752SS**  171.7148.9110.6-86.8-52.1177.500113.1G1347G1347-M1349 PolarHBondContact O-N 3.24Å
1350D31.6Very low30Very low128 Ų128147.9 Ų147.968%0.68474%0.743SS**  trans29117.2153-72.9-23.1000119.7
1351Y30.4Very low30.1Very low204 Ų204148.8 Ų148.880%0.875%0.751SS**  -164.5149.954.9-117.6-78.3000113.3
1352M27.9Very low30Very low180 Ų180144 Ų14489%0.88775%0.749SS**  trans-89.5102.7163.8-92.7-99.3-7000110.8
1353Q31.4Very low30.1Very low182 Ų182143.8 Ų143.885%0.8576%0.764SS**  trans-158.8102.2161.2-163.5164.417.100114.4
1354A32.7Very low30.1Very low100 Ų100146.3 Ų146.383%0.82676%0.763SS**  trans166.484.5144.600000110.1
1355Q30Very low30.2Very low189 Ų189146.2 Ų146.288%0.88377%0.774SS**  trans-83.4144159.7-72.4-179.1-25.400109
1356Q33.6Very low30.3Very low199 Ų199146.8 Ų146.893%0.9377%0.772SS**  trans-139.3144.7153.8-106.4-179.8-200109.6
1357E31.5Very low30.3Very low169 Ų169147.4 Ų147.479%0.7977%0.767SS**  trans-86.5157.4-165.9-60.915972.700113.4
1358V30.8Very low30.2Very low140 Ų140152.8 Ų152.885%0.84878%0.782SS**  trans-129139.6145.2179.90000108.4
1359Q29Very low30.6Very low135 Ų135147.7 Ų147.763%0.63177%0.772SS**  trans-70.1159.6-160.5-66.871.430.200115.7
1360Q28.3Very low30.5Very low138 Ų138148.6 Ų148.665%0.64577%0.772SS**  -150.5150119.1-113.8148.887.900113.6Y935Y935-Q1360 VanDerWaalsContact CD1-OE1 3.23Å; Y935-Q1360 HydrophobicContact CE1-CG 4.44Å
1361P29.7Very low30.5Very low112 Ų112150.3 Ų150.373%0.72777%0.774SS**  trans-112.8158.9-166.740.7-32.1000115.1
1362V28.5Very low30.5Very low152 Ų152148 Ų14892%0.92177%0.77SS**  trans-137.4145155-177.20000108.5
1363A30.9Very low30.7Very low95 Ų95148.2 Ų148.279%0.78577%0.769SS**PPolyproline II helixtrans-95.6173.7-168.600000115.1
1364Q28.6Very low31.1Very low172 Ų172144.6 Ų144.680%0.80476%0.761SS**PPolyproline II helixtrans-82.7157.1-172.3-57.6164.5-13.700114
1365P32.6Very low31.1Very low133 Ų133146.9 Ų146.986%0.86477%0.765SS**PPolyproline II helixtrans-86.5152.1148.735.6-30.7000111.3
1366Q28.7Very low31.3Very low144 Ų144144.7 Ų144.767%0.67376%0.759SS**  trans-137.8122.8-163.2-180-177.2-1500113.4
1367Q30.6Very low31.2Very low141 Ų141141.5 Ų141.566%0.65975%0.753SS**  trans67.8165.7150.6-69.3174.8-12.200117.3
1368Q30.2Very low31.3Very low152 Ų152139.4 Ų139.471%0.7175%0.751SS**  cis-161.4-163.6-2.9-120.4175.82500109.5
1369P35Very low32.3Very low86 Ų86138.1 Ų138.156%0.55875%0.746SS**  -137.4-143.4-85.941.3-16.9000114.5
1370F28.5Very low32.7Very low170 Ų170137.5 Ų137.575%0.74675%0.754SS**  trans87.3137.8167.1-64.6-54.9000117.6
1371K31.4Very low33.2Very low164 Ų164137.1 Ų137.171%0.71376%0.763SS**  cis-152.2173.9-3.5-152.6150.5-171.91760114.1
1372E31.6Very low33.5Very low156 Ų156137.7 Ų137.773%0.72977%0.77SS**  trans-70.3-178.1-176.1-49.5111.3145.300114.8
1373E32.1Very low34Very low184 Ų184136.2 Ų136.286%0.8677%0.766SS**  cis-155.517018.7-124.2-152.9134.900112.7
1374P37.9Very low34Very low106 Ų106138.1 Ų138.169%0.68877%0.768SS**  trans-117.5167.7-174.842-31.8000116.7
1375V34.2Very low34.3Very low148 Ų148136.9 Ų136.990%0.89777%0.772SS**  trans-137.5147.1170.8-176.60000112
1376N32.9Very low34.2Very low142 Ų142139.8 Ų139.876%0.75977%0.774SS**  trans-100.8167.6179.4-93.1-90.3000112.8
1377V32.7Very low34.5Very low132 Ų132137.4 Ų137.480%0.878%0.779SS**  178.7122.3126.5146.40000114.3
1378V34.2Very low34.7Very low125 Ų125142.6 Ų142.676%0.75879%0.793SS**  trans33.8133.5142.7-166.50000122.7
1379P50.7Low34.9Very low113 Ų113142.1 Ų142.173%0.73480%0.795SS**  trans-102.7166.4170.540.5-35.2000115.8
1380P38.2Very low34.9Very low123 Ų123144.6 Ų144.680%0.79981%0.808SS**  trans-104.6171.617239.2-32.7000115
1381P38.7Very low35.1Very low129 Ų129141.8 Ų141.884%0.83880%0.804SS**  trans-108.1-178.9-163.441.9-36.7000117.2
1382S35.9Very low35.4Very low124 Ų124142.7 Ų142.787%0.86781%0.811SS**  trans-77.6165.4-175.5-43.40000116.7
1383S38Very low35.5Very low121 Ų121141.7 Ų141.785%0.84681%0.811SS**  trans-145.2169.3158.462.40000112.1
1384T30.9Very low35.7Very low135 Ų135143.1 Ų143.183%0.82882%0.815SS**  trans-116.7169.5-162.949.60000114
1385V34.9Very low35.7Very low146 Ų146143.8 Ų143.889%0.88582%0.817SS**  trans-167.6164.2141.5135.70000110.5
1386E31.8Very low35.7Very low195 Ų195145 Ų14591%0.91181%0.813SS**  trans-102.7-172.6-154.2-54.1-173.5119.200117.6
1387A34.4Very low36.2Very low94 Ų94142.2 Ų142.278%0.77780%0.803SS**  trans-109.8-176.2-171.100000114.6
1388R35.6Very low36.5Very low250 Ų250142.3 Ų142.394%0.94380%0.798SS**  trans-157.2152.1165-117.6169.8179.4151.62113.4
1389N33.7Very low36.6Very low142 Ų142143.6 Ų143.676%0.75980%0.796SS**  trans-120.6154.3-170.8-60.8-34.1000113.8V1391N1389-V1391 HydrophobicContact CB-CG2 4.27Å
1390V34.8Very low36Very low137 Ų137145.2 Ų145.283%0.8380%0.798SS**  trans-157130.6154.8-177.60000106.5
1391V33Very low35.9Very low111 Ų111143.6 Ų143.667%0.67378%0.783SS**  cis88.281.60.8-1630000118N1389N1389-V1391 HydrophobicContact CB-CG2 4.27Å
1392E37.9Very low35.6Very low183 Ų183143.2 Ų143.286%0.85577%0.768SS**  trans-173.5115.3146.2-103.1168.5-146.300106.3
1393D33.3Very low35.5Very low135 Ų135138.3 Ų138.372%0.72273%0.734SS**  77.4119.157.4-80.8-31.5000116.1
1394F36.9Very low35.2Very low214 Ų214134.8 Ų134.894%0.93972%0.717SS**  trans-167.1125.8136.6-111-68.7000112.3
1395T36.6Very low35.1Very low121 Ų121134.8 Ų134.874%0.74271%0.705SS**  trans-97.4-170.7-176.8-1.30000111
1396E35.1Very low35Very low172 Ų172134.8 Ų134.880%0.80470%0.696SS**  cis-152.8-165.114-130.9-154.9177.700110.4
1397P42.4Very low35Very low85 Ų85132 Ų13255%0.55269%0.687SS**  trans-133.4-160-142.141.3-16.3000115.3
1398L39Very low34.8Very low133 Ų133131.1 Ų131.170%0.69667%0.672SS**  179.7121.4127.7-111.667.6000107.1
1399E36.7Very low34.5Very low152 Ų152130.2 Ų130.271%0.7167%0.669SS**  74.8138.185.4-67.8176.2-176.700114.3
1400D38.4Very low34.4Very low147 Ų147127 Ų12779%0.78667%0.669SS**  cis-147.2160.214-142.4-8.7000117.7
1401D35.6Very low34.1Very low89 Ų89126.6 Ų126.648%0.47667%0.672SS.*  trans-80.5150.7-179.3-126.29.8000110.6H258 Q261H258-D1401 PolarHBondContact CD2-O 3.48Å; H258-D1401 WeakPolarHBondContact NE2-CB 3.48Å; H258-D1401 VanDerWaalsContact NE2-CG 3.33Å; H258-D1401 IonicContact NE2-OD1 3.79Å; H258-D1401 IonicContact NE2-OD2 2.73Å; H258-D1401 PolarHBondContact NE2-OD2 2.99Å; Q261-D1401 PolarHBondContact NE2-OD1 2.89Å; Q261-D1401 PolarHBondContact NE2-OD2 3.05Å
1402F33.1Very low34Very low121 Ų121132.7 Ų132.753%0.53168%0.683SS.*  cis99033.7-137.5-107.4000125.4H258 H259H258-F1402 VanDerWaalsContact CB-O 3.3Å; H258-F1402 WeakPolarHBondContact CB-O 3.42Å; H258-F1402 WeakPolarHBondContact CD2-CA 3.39Å; H258-F1402 PolarHBondContact CD2-N 3.1Å; H258-F1402 PolarHBondContact CD2-O 3.24Å; H258-F1402 VanDerWaalsContact CE1-CA 3.41Å; H258-F1402 WeakPolarHBondContact CE1-CA 3.35Å; H258-F1402 AromaticContact CE1-CD1 3.96Å; H258-F1402 PolarHBondContact CE1-O 2.89Å; H258-F1402 VanDerWaalsContact CG-CA 3.49Å; H258-F1402 PolarHBondContact ND1-O 3.11Å; H258-F1402 WeakPolarHBondContact NE2-CA 3.43Å; H258-F1402 WeakPolarHBondContact NE2-CB 3.46Å; H258-F1402 PolarHBondContact NE2-N 2.84Å; H258-F1402 PolarHBondContact NE2-O 3.47Å; H259-F1402 PolarHBondContact CE1-O 3.25Å; H259-F1402 PolarHBondContact ND1-O 3.24Å
1403S32.6Very low33.5Very low21 Ų21129.6 Ų129.615%0.14768%0.682CS.*  0-155.1099.10000115.1H257 H258H257-S1403 PolarHBondContact ND1-O 2.85Å; H258-S1403 WeakPolarHBondContact CA-O 3.33Å; H258-S1403 PolarHBondContact CE1-N 3.33Å; H258-S1403 PolarHBondContact N-O 2.71Å; H258-S1403 VanDerWaalsContact ND1-C 3.29Å; H258-S1403 WeakPolarHBondContact ND1-CA 3.18Å; H258-S1403 WeakPolarHBondContact ND1-CB 3.3Å; H258-S1403 PolarHBondContact ND1-N 3.31Å; H258-S1403 PolarHBondContact ND1-OG 3.38Å; H258-S1403 PolarHBondContact NE2-N 3.36Å
1404G31.7Very low33.5Very low47 Ų47133.2 Ų133.249%0.48569%0.691SS.*  cis-176.2-163.81200000109.6
1405F29.8Very low33.1Very low135 Ų135130 Ų13059%0.59268%0.681SS**  cis-170.3127-26.1-160.3-125.8000108.1
1406Q32.6Very low32.6Very low147 Ų147133.6 Ų133.669%0.68768%0.681SS**  trans56-173159.9-56.5-178.7-13.800115.2
1407D30.9Very low32.3Very low136 Ų136134.6 Ų134.673%0.72768%0.677SS**  cis-151-170.51.5-154.914.7000106.8
1408V31.3Very low32Very low75 Ų75137.5 Ų137.546%0.45568%0.683SS.*  cis-161.3157.37.370.40000112.1
1409R29Very low31.6Very low232 Ų232138.6 Ų138.688%0.87569%0.69SS**  trans66146.8160.2-82.4150.8-120.2-177.91.4118.4
1410G31Very low31.3Very low75 Ų75140.5 Ų140.577%0.77370%0.696SS**  trans-177-15.8167.200000120R1412G1410-R1412 PolarHBondContact O-N 2.81Å
1411S30Very low30.9Very low128 Ų128137 Ų13790%0.89569%0.687SS**  trans-62.1104.5-171.7-54.10000114.4
1412R30Very low30.9Very low238 Ų238139.1 Ų139.190%0.89870%0.699SS**  trans-159116.1160.1-129.5171.5-177.7176.61.4114.9G1410G1410-R1412 PolarHBondContact O-N 2.81Å
1413S28.4Very low30.7Very low119 Ų119139.7 Ų139.783%0.83271%0.707SS**  trans-65135.4165.2-39.80000110.7
1414K33.4Very low30.9Very low210 Ų210146.9 Ų146.991%0.91374%0.743SS**  trans-154.9121.1149.3-119.4172.1-173.5-177.10113.3
1415M26.7Very low30.9Very low147 Ų147150.5 Ų150.572%0.72476%0.756SS**  trans-69.9161.6165.6-174.5-162-71.500110.3
1416R27.9Very low30.9Very low196 Ų196146.9 Ų146.974%0.7476%0.757SS**  trans89129.6149.2-161.1-175.5-172.21793.9117.9
1417R28.3Very low31.1Very low193 Ų193148.6 Ų148.673%0.72876%0.764SS**  trans69.4159.5164.8-80159173.9-160.12.9115.4
1418E35.3Very low31.2Very low146 Ų146151.2 Ų151.268%0.68277%0.77SS**  cis-135.5150.213.3-151.8112.5-116.600113
1419N30.9Very low31.4Very low157 Ų157151.3 Ų151.384%0.8478%0.778SS**  trans-107.7101.9172.4179.311.9000108.6
1420K30.7Very low31.7Very low192 Ų192148.2 Ų148.284%0.83578%0.779SS**  trans171.8151.4176.5-100.3162.9-179.4-176.40107.8
1421A29.4Very low31.9Very low72 Ų72148 Ų14860%0.59578%0.777SS**  cis-164.5-176.6-8.300000109.9
1422N35.4Very low32.2Very low135 Ų135145.8 Ų145.872%0.72277%0.774SS**  trans74.2112.7155.6-61.8-26.5000116.4
1423N29.5Very low32.6Very low133 Ų133138 Ų13871%0.71177%0.768SS**  83.197.367.2-80.6-47.7000112.4
1424L36.5Very low33.4Very low171 Ų171137.4 Ų137.490%0.89576%0.761SS**  trans-172.984.4159-100.2157.3000104.4
1425T31.8Very low33.6Very low124 Ų124139.3 Ų139.376%0.76176%0.763SS**  72.1114.457.9-49.90000112.3
1426G30.4Very low34.1Very low58 Ų58135.8 Ų135.860%0.59876%0.764SS**  trans116.694.6162.700000115.9
1427H35.5Very low34.6Very low183 Ų183130.6 Ų130.685%0.84777%0.772SS**  trans164.3117.9141.8-92.5-64.6000107.1
1428F33Very low35Very low192 Ų192125.2 Ų125.284%0.84278%0.776SS**  cis54115.243-64.2-78.7000112.9
1429A36.3Very low35.1Very low77 Ų77122.5 Ų122.564%0.63679%0.787SS**  cis-160-178.6-3.800000110.4
1430D35.4Very low35.3Very low166 Ų166118.4 Ų118.489%0.88878%0.782SS**  trans22148155.9-56.7-52.2000122.5
1431G36.1Very low35.6Very low71 Ų71119.8 Ų119.873%0.73278%0.782SS**  cis162.1152.30.400000112
1432G36.6Very low35.8Very low81 Ų81125.6 Ų125.684%0.83579%0.794SS**  trans76.4152.6-178.200000114.8
1433G37.7Very low35.9Very low74 Ų74122.7 Ų122.776%0.76380%0.796SS**  cis85.4152.2300000114.2
1434P44.5Very low36.2Very low108 Ų108119.8 Ų119.870%0.70180%0.798SS**  cis-143.7-1780.645.7-28.6000116.4
1435R37.1Very low36.1Very low250 Ų250117.1 Ų117.194%0.94379%0.794SS**  trans64.3158.1155.5-68.4161.4-175.5-163.1-0.6117.9
1436G37.8Very low36.1Very low73 Ų73123.4 Ų123.475%0.75380%0.803SS**  cis-165.8175.5-1.900000112.4
1437G37.7Very low36.3Very low87 Ų87124 Ų12490%0.89781%0.81SS**  trans-82.9-162.8-178.700000114.7
1438G37.4Very low36.2Very low80 Ų80125.8 Ų125.883%0.82581%0.809SS**  cis168.8173.8-0.300000112.6
1439G37.3Very low36.1Very low88 Ų88125.2 Ų125.291%0.90781%0.806SS**  trans83.8160.1178.500000115.6
1440G36.2Very low36Very low72 Ų72126.3 Ų126.374%0.74282%0.816SS**  cis168.2133.2-13.200000116.7
1441R35.5Very low36Very low221 Ų221122.2 Ų122.283%0.83481%0.813SS**  trans72.9156.5156.4-53-175.3175.4-155.7-0.2120.6
1442F34.9Very low36Very low193 Ų193130.8 Ų130.885%0.84682%0.823SS**  trans64.6144.2165.3-53.4-70000118
1443G35.8Very low35.8Very low74 Ų74138.9 Ų138.976%0.76383%0.828SS**  cis153.9140.4-12.500000113.8
1444G36.1Very low35.6Very low72 Ų72139.4 Ų139.474%0.74283%0.833SS**  trans90.697156.400000119.8
1445S34.3Very low35.1Very low116 Ų116138 Ų13881%0.81184%0.838SS**  54134.7116.4-49.50000124
1446R33.1Very low34.8Very low255 Ų255135.9 Ų135.996%0.96284%0.836SS**  trans97144.7150.3-62170.7176.1-172.1-1.1120.2
1447G34.9Very low34.9Very low71 Ų71137 Ų13773%0.73283%0.831SS**  trans101.5102.3164.600000113.5
1448R31.9Very low34.8Very low220 Ų220139.2 Ų139.283%0.8382%0.821SS**  83.5138.651.8-73.7-156.1-171.8-161.97.9114.9
1449F32Very low34.5Very low180 Ų180146.7 Ų146.779%0.78982%0.824SS**  trans63.1116.8174.4-57.7-73.6000114.8
1450A33.9Very low34.4Very low101 Ų101146.1 Ų146.184%0.83582%0.818SS**  cis7712837.800000114.4
1451G34.6Very low34.4Very low80 Ų80153 Ų15383%0.82582%0.822SS**  trans166.5101.9176.200000115.7
1452R36.6Very low34.5Very low250 Ų250153.3 Ų153.394%0.94382%0.823SS**  trans-24.8161170.1-64169.4175.7-102.2-0.8120.1
1453R31.7Very low34.6Very low252 Ų252148 Ų14895%0.95182%0.823SS**  trans-56.1146.6157.6-66.9-179175.2-168.6-1.2112.2
1454G33.6Very low34.7Very low84 Ų84149.2 Ų149.287%0.86683%0.826SS**  trans170.294.8161.900000111.8
1455G35.2Very low34.6Very low78 Ų78150.3 Ų150.380%0.80482%0.822SS**  trans179.2101.6-176.100000114.6
1456F30.1Very low34.8Very low206 Ų206151.5 Ų151.590%0.90482%0.819SS**  trans-82.1175.7163.4-86.3-99000109.5
1457P40.7Very low34.8Very low98 Ų98145.4 Ų145.464%0.63682%0.816SS**  -139.4-158.7-53.935.9-14.9000112.8
1458L34.2Very low35Very low133 Ų133144.8 Ų144.870%0.69681%0.81SS**  trans85.5127.4150.4-66.7159.1000123.9
1459R31Very low35.2Very low236 Ų236143.5 Ų143.589%0.89181%0.813SS**  trans71.6139.3130.8-74.1176.1172.8-168.3-1.7123.3
1460G35.9Very low35.2Very low76 Ų76142.7 Ų142.778%0.78481%0.812SS**  trans115.5101.6157.400000113.5
1461R36.6Very low35.4Very low217 Ų217149.3 Ų149.382%0.81982%0.817SS**  cis109.9136.714.7-164-171.8-165.5-111.83.6112.1
1462R37.5Very low35.3Very low228 Ų228149.7 Ų149.786%0.8681%0.807SS**  trans78.9138.4-176.1-45.8174.3-157.5-120.47.5111.5
1463G37.5Very low35.4Very low81 Ų81147.2 Ų147.284%0.83581%0.806SS**  cis162.1169.20.200000108
1464A38.5Very low35.5Very low100 Ų100139.8 Ų139.883%0.82680%0.799SS**  cis-168.7172.6-6.600000105.5
1465S34Very low35.8Very low95 Ų95140.5 Ų140.566%0.66480%0.796SS**  cis-177.7-168.6-10.946.60000105.8
1466N37.4Very low35.9Very low140 Ų140142 Ų14275%0.74980%0.801SS**  trans76.4114.8172.7-4821.2000113.9
1467S33.9Very low36.3Very low128 Ų128136 Ų13690%0.89580%0.797SS**  cis87.3134.712.7910000118.3
1468G37.8Very low36.2Very low58 Ų58136.6 Ų136.660%0.59881%0.81SS**  trans154.2101.2-177.500000108.1
1469E36.6Very low36.3Very low193 Ų193133.9 Ų133.990%0.90281%0.814SS**  72102.391.1-70.7164.3-172.300111
1470E31.4Very low36.4Very low163 Ų163131 Ų13176%0.76281%0.811SS**  cis77.9114.347.1-165.3178.8171.900114
1471Y38Very low36.5Very low239 Ų239133.9 Ų133.994%0.93781%0.813SS**  trans-156.6144.5155.9-120.7-81.1000110.3
1472S32.9Very low36.3Very low89 Ų89128.7 Ų128.762%0.62281%0.806SS**  trans-128.2143.1-162-66.60000113.7
1473Q38.4Very low36Very low198 Ų198127.9 Ų127.993%0.92581%0.809SS**  trans-169.8157.4163.2-109.8163.616.800111.3
1474A35.3Very low35.8Very low96 Ų96126.8 Ų126.879%0.79380%0.797SS**  -179.5104.4-6400000110.2
1475A39.3Very low35.2Very low98 Ų98131.7 Ų131.781%0.8179%0.794SS**  trans-174.5117.4162.200000107.4
1476A37Very low35Very low110 Ų110138.4 Ų138.491%0.90981%0.806SS**  cis81100.83100000114.1
1477G38.5Very low34.6Very low80 Ų80137.2 Ų137.283%0.82580%0.795SS**  trans-174.7135.4176.800000110.8
1478A39.1Very low34.5Very low111 Ų111137.3 Ų137.392%0.91779%0.786SS**  trans-69.3165.6-168.300000114.5
1479G35.8Very low34.2Very low75 Ų75141 Ų14177%0.77379%0.787SS**  cis-161.917511.500000116.1
1480E34.3Very low33.9Very low176 Ų176139 Ų13982%0.82278%0.778SS**  trans-99.3132.1-169.4-179.1177.8-173.300111.2
1481V36.4Very low34Very low136 Ų136139.5 Ų139.582%0.82478%0.78SS**  trans-128111.1166.2-178.90000108.1
1482T33.2Very low33.7Very low109 Ų109133.7 Ų133.767%0.66978%0.775SS**  trans-68.8143.5176.344.20000111.1
1483F31.7Very low33.9Very low210 Ų210132.3 Ų132.392%0.92178%0.775SS**  trans-107.7118.6156.7-117.6-87000109
1484G32.9Very low33.9Very low58 Ų58129.3 Ų129.360%0.59877%0.77SS**  trans-79.2141.1-167.300000113.9W1486G1484-W1486 PolarHBondContact O-N 3.49Å
1485R26.5Very low33.9Very low203 Ų203129.5 Ų129.577%0.76677%0.765SS**  trans-52.2123.3159.6171.1-171-177176.43.7110.4E1487R1485-E1487 IonicContact CZ-OE2 3.08Å; R1485-E1487 IonicContact NE-OE2 2.66Å; R1485-E1487 PolarHBondContact NE-OE2 2.95Å; R1485-E1487 IonicContact NH2-OE1 3.32Å; R1485-E1487 PolarHBondContact NH2-OE1 3Å; R1485-E1487 IonicContact NH2-OE2 2.7Å; R1485-E1487 PolarHBondContact NH2-OE2 3.12Å
1486W29.6Very low33.8Very low237 Ų237130.7 Ų130.790%0.89876%0.762SS**  trans-129.4106.2157.6-8278.1000108.4G1484G1484-W1486 PolarHBondContact O-N 3.49Å
1487E28.7Very low33.8Very low115 Ų115134.4 Ų134.454%0.53775%0.753SS.*  trans-79.1166.6150.9-74.8142.6128.800108.4R1485R1485-E1487 IonicContact CZ-OE2 3.08Å; R1485-E1487 IonicContact NE-OE2 2.66Å; R1485-E1487 PolarHBondContact NE-OE2 2.95Å; R1485-E1487 IonicContact NH2-OE1 3.32Å; R1485-E1487 PolarHBondContact NH2-OE1 3Å; R1485-E1487 IonicContact NH2-OE2 2.7Å; R1485-E1487 PolarHBondContact NH2-OE2 3.12Å
1488D30.5Very low33.7Very low129 Ų129132.6 Ų132.669%0.6973%0.734SS**  trans68148.1164.6-71.9-44.8000117
1489H33Very low33.8Very low137 Ų137132.4 Ų132.463%0.63472%0.718SS**  cis-146170.77.4-112.7-9.1000110.8
1490Q28.8Very low33.9Very low150 Ų150140 Ų14070%0.70172%0.723SS**  trans27.7141136.8-49.717347.200119
1491E34.2Very low34.2Very low173 Ų173134.4 Ų134.481%0.80871%0.713SS**  cis-150.8148.144.1-72.9178.715600108.9
1492S32.4Very low34.4Very low118 Ų118136.8 Ų136.883%0.82572%0.715SS**  cis119.614639.995.10000108.7
1493G36.9Very low34.7Very low60 Ų60137.2 Ų137.262%0.61972%0.722SS**  trans117.175.4-173.900000114.1
1494T38.9Very low35.1Very low134 Ų134131.1 Ų131.182%0.82272%0.718SS**  65.8135.187.367.20000114.9
1495S34.2Very low35.3Very low101 Ų101140.7 Ų140.771%0.70674%0.736SS**  cis-171.5158.95.5-120.60000114.1
1496V38.1Very low36Very low122 Ų122134.8 Ų134.874%0.73974%0.739SS**  trans69.6149.4143.41650000119.1
1497R36.6Very low36.3Very low188 Ų188130.5 Ų130.571%0.70973%0.733SS**  cis179170.3-32.5-106.8177.6-179.2-162.31.7108.8
1498G36.9Very low36.7Very low42 Ų42135.5 Ų135.543%0.43375%0.753SS.*  trans153.3-14.1153.900000123.7S692 R693S692-G1498 CarbonylContact O-C 3.46Å; S692-G1498 VanDerWaalsContact O-C 3.3Å; S692-G1498 WeakPolarHBondContact O-CA 3.21Å; R693-G1498 VanDerWaalsContact CZ-N 3.31Å; R693-G1498 VanDerWaalsContact NH1-N 3.1Å
1499N40.7Very low37.2Very low108 Ų108132.5 Ų132.558%0.57875%0.753SS**  trans-10.6127.8171.3-176.139.6000119.8R693R693-N1499 VanDerWaalsContact CD-N 3.32Å
1500R36.8Very low37.5Very low235 Ų235138.5 Ų138.589%0.88777%0.77SS**  trans-179.2159.9142.5-95144.6-174.4-167.82.6110
1501G41.6Very low38.1Very low58 Ų58135.4 Ų135.460%0.59878%0.779SS**  cis137.5133.6-10.500000114.7
1502Q40.9Very low38.2Very low186 Ų186130.7 Ų130.787%0.86978%0.776SS**  trans99130.7-178.5-61167.182.200114.6
1503S39.4Very low39Very low118 Ų118131 Ų13183%0.82578%0.775SS**  cis98.2113.28.288.40000118
1504G39.9Very low39Very low81 Ų81140 Ų14084%0.83579%0.79SS**  trans-157.9138.8164.300000110.9
1505R37.2Very low39.1Very low260 Ų260137.5 Ų137.598%0.98179%0.791SS**  trans-121.8147.5179.7-78.3-176.3171.9-171.5-1.5110.8
1506G40Very low39.1Very low79 Ų79137.5 Ų137.581%0.81479%0.791SS**  trans-153.1136.4163.600000110
1507N36.8Very low39.1Very low147 Ų147138.3 Ų138.379%0.78679%0.792SS**  trans-156.398.6-169.2177.891.7000113.5
1508F37.3Very low39.2Very low219 Ų219136.9 Ų136.996%0.96179%0.793SS**  trans-159.1152164.5-69.4-77.9000107.7
1509G40.1Very low39.2Very low66 Ų66144.7 Ų144.768%0.6882%0.815SS**  cis159.6125-1200000113.7
1510R40Very low39.1Very low264 Ų264143.1 Ų143.1100%0.99682%0.824SS**  trans74146.2173.4-51.1175.8179.2-103.52.6117.9
1511G40.3Very low39.2Very low85 Ų85135.8 Ų135.888%0.87682%0.822SS**  trans142.9117.1156.200000117.2
1512G37.9Very low39Very low74 Ų74145.2 Ų145.276%0.76384%0.84SS**  trans-149.3-173.3158.200000108
1513P49Very low39Very low123 Ų123140.3 Ų140.380%0.79984%0.839SS**  cis-138.1-170.11243.8-25.4000115.4
1514R35.6Very low38.9Very low249 Ų249138 Ų13894%0.9483%0.834SS**  trans10.8134.8155.7-60.2-179.6-176.5-149.30121.1
1515G40.9Very low38.7Very low82 Ų82143.3 Ų143.385%0.84584%0.835SS**  trans-152.7161.5154.400000110.8
1516S35Very low38.8Very low101 Ų101137.7 Ų137.771%0.70682%0.819SS**  trans-137.4-168.9-178.358.90000111.8
1517D38.4Very low38.6Very low139 Ų139144.9 Ų144.974%0.74382%0.822SS**  trans78.3158.5166.3-46.4-9.4000115.1
1518H39Very low38.6Very low158 Ų158141.1 Ų141.173%0.73182%0.818SS**  cis-170.5165.2-47.6-120.851.5000107.5
1519F36.9Very low38.7Very low206 Ų206136.9 Ų136.990%0.90482%0.815SS**  trans65.6154.3176.5-58.6-85.1000117.9
1520G37.3Very low38.6Very low75 Ų75136.6 Ų136.677%0.77381%0.813SS**  cis162.5128.7-16.400000116.8
1521G39.5Very low38.5Very low81 Ų81134.5 Ų134.584%0.83581%0.811SS**  trans89.2169.4159.400000118.7
1522R38.2Very low38.4Very low256 Ų256133.6 Ų133.697%0.96680%0.802SS**  cis-168.1129.8-23.8-160.9179.3-163.7-122.55.3112
1523G39.3Very low38.2Very low84 Ų84139.5 Ų139.587%0.86681%0.81SS**  trans83.6157.6168.600000116.2
1524G37.4Very low37.5Very low70 Ų70138.2 Ų138.272%0.72281%0.809SS**  cis177.9166.5-7.200000114
1525F36.1Very low37.2Very low192 Ų192139.5 Ų139.584%0.84283%0.826SS**  trans73.3103169.2-77.5-91.9000122.5
1526Q39.9Very low37Very low141 Ų141142.4 Ų142.466%0.65983%0.825SS**  58.8125.3129.5-67.2-159.740.400125
1527R36.5Very low37.1Very low231 Ų231144.5 Ų144.587%0.87283%0.831SS**  trans65.9131.8139.4-67.5-179.1-175.6-111.32.3120.9
1528G37.1Very low37.1Very low68 Ų68144.8 Ų144.870%0.70184%0.836SS**  trans136.477.3131.500000118
1529S38Very low36.9Very low129 Ų129144.1 Ų144.190%0.90284%0.842SS**  trans16.5124.7149.355.50000120.1
1530G38.3Very low36.9Very low61 Ų61140.2 Ų140.263%0.62984%0.838SS**  trans-154.9138.5165.300000114
1531F38.6Very low36.9Very low219 Ų219144.5 Ų144.596%0.96184%0.843SS**  trans62.1149.4163.6-56.2-85000118.4
1532G38.2Very low36.7Very low66 Ų66149.1 Ų149.168%0.6884%0.843SS**  cis126.6131.40.900000111.7
1533Q34Very low36.6Very low199 Ų199140.8 Ų140.893%0.9383%0.834SS**  trans-57.8147.2-175.3-63.7165.7-28.600113.8
1534A33.5Very low36.4Very low95 Ų95145.6 Ų145.679%0.78583%0.831SS**  167.111710300000111.6
1535E29.2Very low36.3Very low276 Ų276152.5 Ų152.5100%1.2984%0.841SS**  -137.2085.3-102.5-178.6162.500108.7

Retrieved 1,535 of 1,535 residues in 272.5 ms (Link to these results)