A0A5K4FB62_SCHMA Loading...

GATA-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,524 aa.

>A0A5K4FB62_SCHMA|A0A5K4FB62
MLKSCGTVDKVDHKDCKEEGSCTVENLENKTEESFIGVSSISTHNSVSYNPPKNGLIASVLEIPNSVCLSFEHVDPLLQSTSPRSTEKTIPQDEKHSGLFTKIKSELSSDNGLELTKNENQEQGDRPMDLPNGSKQYNEVLIDGFAILSFKTMDDMLEFTKLSELQNPGMTPMIEKTYKRARRCGMPKLKRTKGFLKQTLSQTSTTNDLLRHRRHHLHHHHNHSHYHFNNIHQHPALFDYEPHYDTNHISSPIHLSPNRDKDTKSMVNTTITDGNNKLSSIQPNNNSNGTSNKHYHHRSYEVNNNTSLHEETNHNDVQYRDDETPTPPLHHHNPYCFSVNLSTHTMATSNSPINNTLISSSRSHHHNHSSLTALPKMEHRYSQETIQSPPEYTSMMSPKNHSIGNNITSSPQDYRSVSVPGIWNSQTKPDIISPQKADKVTYGNSCDADSVKTMPMVSVPSENLKRSDSINSNKSHCHQFSVAALTDEVMHSSAQSEESKSQTTIKSKSPKHPSGKKRTYRKSEQRDIKNSVYDKYSHRHNEYDKSFAYPKFDNPTYTNRCPIVDNNGNNKSWNSTGNDSLKGASYFPTTVGTNHNCERIHDTVSKYSPLTNHNVNSIPFSLRNSADSLPAHSYLPPRGLQEPTSCGSQIRPLSSSSAHLVSPSVPSSLCSNSFFPHQNLLKQIMGIDSETANQLLSDPRFMELYALTMATLSNSVDGVPDSILPPPVSGISLPNHANTIISTSVNSSNQNINSSSQFRNGNTAGHSRTTDPSQFGETSLSHCGQQVNLSSIQNKLYPYSNMMMFGANHLPLAPGTVPSSSQTTSNSSINRLIPPNSESLSISQLQTDRSQAVLATAYADREFATSNSTLGKLKLSSQGIMINSGSDRNNNSIVPNSLVNSLPSTTNINCLSDSNNRNAQNFNIPPNPMIQRHHHHLNSMPQSSIGTLEPPSTLHSSKSNSISSNLSCSLSSDSVMNKNLSSFPLKLFNGDLHNPVSSSSSSSLSTHNDRNAMMGLHKPEYMPSESVLRSNFPPSLQLIPPPLPPNIPPEFLKSFLVPDSSSPLFPGSKVNATLNSSFMPSIPNLQSTQPLYSPMRVNHSNRPDKTNYNGILHRPVHGDKLYGRWADAHIRIALFIQHCKSSTQGLQSSPVISSIFSTPRLPIRPVVRRLSLGVHSSMPSSIISGPANYNSSRINIESVNNNRSTHPPPLRPPSFLPSQLHNPINSVSSNNNNNNNNSGPSIPSSINSDISFWGHLFNEFMNNLSKEFLNSIPDCKDTQLAILQNFYSQMSQMNNSVLNGGSFPKSTDFSFLNSTVSSSSMANNNNNNCSPVPSVSNIAGFNFPLIAQPFNSLSSSCSSSSATTTTTCVRPTVLPSSPALINFPSSTNTLNNNDLKRRRADSSSNSMDINNLPFPMRFPNSFPRPLTIHNYVPHPHSSLHPGSSIPPPPAHSDMINVAAAASLLNGFRLPEAFLNHFPHSMQLPSVSSGSSSLNDRKNTRSSNTTAGTITTSSNSSHLIPINPW
Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low33.2Very low220 Ų220139.7 Ų139.7100%1.08479%0.787SS**  0123.80-72.215872.200107.2
2L35.8Very low33Very low141 Ų141138.6 Ų138.674%0.73878%0.778SS**  64.7126.4113.3-59172000114.3
3K33.9Very low33.1Very low177 Ų177140.5 Ų140.577%0.7778%0.776SS**  cis-163.2135.4-18.1-113.9175.7-175.3-179.20102.9
4S31.7Very low33.1Very low103 Ų103140.1 Ų140.172%0.7276%0.763SS**  64.8143.856-160.70000114.1
5C33.8Very low33.1Very low128 Ų128137.7 Ų137.787%0.86575%0.749SS**  trans70.5145.4-171.2-50.40000114.6
6G32.3Very low33Very low58 Ų58133.4 Ų133.460%0.59873%0.731SS**  cis177.9134.7-5.800000109.2
7T31.8Very low33.1Very low137 Ų137130.7 Ų130.784%0.8471%0.71SS**  52.7112.785.158.60000115.6
8V34.4Very low33.3Very low121 Ų121129.8 Ų129.873%0.73370%0.701SS**  trans161.4105.4145.1153.70000104.5
9D30.4Very low33.3Very low139 Ų139130.5 Ų130.574%0.74370%0.699SS**  71.3147.468.2-74.2-44.8000114.6
10K32.1Very low33.4Very low193 Ų193127.4 Ų127.484%0.83970%0.699SS**  trans83.3145.9170.4-53-177.1-177.1179.80116.4
11V31.8Very low33.3Very low120 Ų120126.6 Ų126.673%0.72770%0.703SS**  cis-152.8168.8-14.4118.20000109.5
12D30.5Very low33Very low126 Ų126121.2 Ų121.267%0.67469%0.686SS**  trans-47.7175.1174.6-49.9-99.7000117.6
13H34.1Very low32.7Very low163 Ų163120.4 Ų120.476%0.75569%0.687SS**  trans108.3137.2154.4-71.111000116.6
14K33.7Very low32.6Very low136 Ų136118 Ų11859%0.59169%0.687SS**  cis-179.6158.7-18.5-131.8173.9148.8-121.10108.3
15D33.6Very low32.5Very low103 Ų103120.2 Ų120.255%0.55169%0.686SS**  trans61.3161.1152.4-59.8-31.5000116.1
16C31.8Very low32.5Very low69 Ų69120 Ų12047%0.46668%0.676SS.*  cis-163.5158.5-22.8-112.30000109.8
17K34.4Very low32.6Very low88 Ų88123.6 Ų123.638%0.38368%0.681SS.*  trans65.6167.2147.7-73.8170.2170.9-70.60118T1364 T1365 T1366K17-T1364 PolarHBondContact NZ-O 3.5Å; K17-T1365 WeakPolarHBondContact CE-OG1 3.29Å; K17-T1365 WeakPolarHBondContact CG-OG1 3.48Å; K17-T1365 PolarHBondContact NZ-OG1 3.21Å; K17-T1365 VanDerWaalsContact NZ-OG1 3.07Å; K17-T1366 HydrophobicContact CD-CG2 4.14Å; K17-T1366 WeakPolarHBondContact CE-OG1 2.88Å; K17-T1366 PolarHBondContact NZ-OG1 3.33Å
18E35.9Very low32.5Very low114 Ų114123 Ų12353%0.53367%0.668SS.*  cis-152.3131-11.9-121.4151.1179.700107.6T1364E18-T1364 HydrophobicContact CG-CG2 3.67Å; E18-T1364 WeakPolarHBondContact CG-OG1 3.49Å; E18-T1364 VanDerWaalsContact OE1-CB 3.29Å; E18-T1364 WeakPolarHBondContact OE1-CB 3.48Å; E18-T1364 PolarHBondContact OE1-OG1 3.29Å
19E33.9Very low32.6Very low143 Ų143122.6 Ų122.667%0.66866%0.662SS**  67.1157.596.5-132.8-175.8-130.100117.6T1364E19-T1364 HydrophobicContact CB-CG2 3.73Å; E19-T1364 VanDerWaalsContact CD-OG1 3.27Å; E19-T1364 HydrophobicContact CG-CG2 3.81Å; E19-T1364 WeakPolarHBondContact OE1-CG2 3.45Å; E19-T1364 PolarHBondContact OE1-N 3.5Å; E19-T1364 PolarHBondContact OE2-OG1 3.15Å; E19-T1364 VanDerWaalsContact OE2-OG1 3.13Å
20G35Very low32.7Very low68 Ų68122 Ų12270%0.70165%0.653SS**  trans99.590.1-176.500000113.4
21S31.2Very low32.9Very low111 Ų111118.3 Ų118.378%0.77665%0.647SS**  cis81.815133.2-156.50000115.3
22C30.9Very low32.9Very low108 Ų108120 Ų12073%0.7365%0.647SS**  trans75.6113.9-173.4-55.50000115.2
23T29.7Very low33.1Very low124 Ų124122 Ų12276%0.76165%0.652SS**  cis79.4166.741.676.90000114.8
24V32.1Very low33Very low127 Ų127118.7 Ų118.777%0.7765%0.648SS**  trans79.6135.7179.6-175.20000114.9
25E30.4Very low32.7Very low148 Ų148121.8 Ų121.869%0.69266%0.661SS**  cis-176.5160.6-36.3-126.6172.8-124.700109.6
26N31.8Very low32.7Very low125 Ų125124.5 Ų124.567%0.66867%0.674SS**  trans63.1172.5155.7-55.3-29.7000116.8
27L34.6Very low32.5Very low132 Ų132124.4 Ų124.469%0.69169%0.685SS**  cis-140.91633.8-165.961.7000112.5
28E31.3Very low32.2Very low124 Ų124126.3 Ų126.358%0.57970%0.704SS**  trans-45.1159.8172.7-50.7168.694.800115.6K30E28-K30 IonicContact OE1-NZ 3.89Å; E28-K30 PolarHBondContact OE1-NZ 2.91Å; E28-K30 IonicContact OE2-NZ 3.9Å
29N35.2Very low31.6Very low114 Ų114125.7 Ų125.761%0.6171%0.712SS**  -165.4145.572.1-87-73.2000111.8
30K33.6Very low31.2Very low126 Ų126124 Ų12455%0.54872%0.716SS.*  53.9131.988.2-49.8-168.2-169.792.70112.9E28E28-K30 IonicContact OE1-NZ 3.89Å; E28-K30 PolarHBondContact OE1-NZ 2.91Å; E28-K30 IonicContact OE2-NZ 3.9Å
31T34.9Very low30.9Very low116 Ų116128.4 Ų128.471%0.71272%0.722SS**  -144.6137.354.9-51.50000108.8
32E32.1Very low30.6Very low154 Ų154127.7 Ų127.772%0.7272%0.717SS**  51.9142.781.6-42.9168.9169.500112.7
33E36.1Very low30.4Very low168 Ų168127.4 Ų127.479%0.78571%0.712SS**  cis-143.5136.929.3-67.1-178.7118.800112.3
34S31Very low30.3Very low95 Ų95129.3 Ų129.366%0.66471%0.712SS**  90.6128.9107.386.40000117.2
35F28Very low30Very low201 Ų201129.6 Ų129.688%0.88271%0.709SS**  47.9130.5101.2-64.3-81000114.1
36I32Very low29.9Very low159 Ų159127 Ų12782%0.81571%0.707SS**  cis-146.5157.418.1-55.3172000107V38I36-V38 HydrophobicContact CG2-CG2 4.5Å
37G28.9Very low29.9Very low67 Ų67128 Ų12869%0.69172%0.717SS**  cis139.5175-0.400000112.5
38V27.5Very low29.4Very low129 Ų129126.1 Ų126.178%0.78272%0.715SS**  trans64.692.3165.2-164.70000119.3I36I36-V38 HydrophobicContact CG2-CG2 4.5Å
39S24.6Very low29.3Very low101 Ų101130.9 Ų130.971%0.70673%0.73SS**  trans69.3121.8130.1-54.10000124.5
40S24.1Very low29Very low108 Ų108132.5 Ų132.576%0.75574%0.738SS**  76.3164.4128.4-60.30000121.5
41I28.4Very low29.1Very low160 Ų160132 Ų13282%0.82175%0.748SS**  trans73.7106.1174.5-49.6170.5000112.3
42S26.4Very low28.9Very low96 Ų96132.4 Ų132.467%0.67175%0.753SS**  cis88.6133.945.5-173.10000114.7
43T25.7Very low28.8Very low102 Ų102134.1 Ų134.163%0.62676%0.758SS**  trans66.6116.4152.435.70000121.2
44H27.2Very low28.5Very low164 Ų164134 Ų13476%0.75976%0.762SS**  trans70.3151150.1-57.7-58.5000117.4
45N27.4Very low28.3Very low133 Ų133132.6 Ų132.671%0.71176%0.763SS**  cis-152.9159.712.1-137.2-4.1000114.8
46S26.8Very low28.2Very low93 Ų93131.3 Ų131.365%0.6576%0.764SS**  trans36.4118.9150620000122.7
47V31.5Very low28.1Very low145 Ų145131.3 Ų131.388%0.87976%0.764SS**  -130.2131.4122.5179.10000107.6
48S25.3Very low27.9Very low94 Ų94132.1 Ų132.166%0.65776%0.764SS**  trans-109.4146.3-178.856.70000111.7
49Y29.2Very low27.8Very low224 Ų224130.6 Ų130.688%0.87876%0.76SS**  trans-141.4105.6165.1-113.6-87.8000109.8
50N28.6Very low27.9Very low148 Ų148132 Ų13279%0.79176%0.764SS**PPolyproline II helixtrans-93121173.6-79.9-48.4000109.7
51P34.9Very low28.2Very low115 Ų115134.8 Ų134.875%0.74777%0.769SS**PPolyproline II helixtrans-71.4146.4157.530.9-31.7000109.8
52P31.8Very low28.1Very low125 Ų125135.2 Ų135.281%0.81277%0.768SS**PPolyproline II helixtrans-80.9153.4-163.631.1-36.5000114.4
53K28.7Very low28.3Very low190 Ų190136.3 Ų136.383%0.82677%0.765SS**PPolyproline II helixtrans-88.5147.4159.3-73-178.1176.8177.50109.8
54N30.2Very low28.5Very low164 Ų164137.6 Ų137.688%0.87778%0.775SS**  trans84.3117.4169.4-49.9-16.1000117.7
55G26.7Very low28.4Very low66 Ų66136 Ų13668%0.6877%0.772SS**  10798.7124.100000119.8
56L25.6Very low28.2Very low175 Ų175135.1 Ų135.192%0.91678%0.776SS**  trans65.8169.5153.3-46.2169000114.4
57I30Very low28.2Very low159 Ų159136.8 Ų136.882%0.81578%0.782SS**  cis-128.2165.6-0.3-51.8160.9000107.8
58A24.9Very low27.8Very low83 Ų83136 Ų13669%0.68678%0.781SS**  trans-65.5175.3164.900000111.2
59S26.2Very low27.8Very low98 Ų98138.1 Ų138.169%0.68579%0.785SS**  cis-178.1178.749.7-39.50000112.3
60V27.2Very low27.5Very low131 Ų131132.1 Ų132.179%0.79478%0.776SS**  trans66.9102144.4170.70000118.4
61L29.3Very low27.6Very low166 Ų166134.9 Ų134.987%0.86978%0.781SS**  -173.9169.496.4-117.9164000111.6
62E26.5Very low27.2Very low169 Ų169137.4 Ų137.479%0.7978%0.783SS**  trans-115160.8-155.9-83.1178.6100.500117.6
63I30.1Very low27Very low119 Ų119139.1 Ų139.161%0.6178%0.78SS**  trans-25.9157.1162-6.4175.9000117
64P29.9Very low26.9Very low129 Ų129136.9 Ų136.984%0.83878%0.782SS**  -133.1164.792.837.6-28000115.4
65N25.2Very low26.8Very low129 Ų129133.6 Ų133.669%0.6976%0.764SS**  trans-85.9171.7-171.5-76.3-60.9000114.5
66S24.3Very low27.1Very low115 Ų115136.4 Ų136.480%0.80477%0.77SS**  trans60.491.9154.257.20000118.7
67V26.7Very low27.2Very low128 Ų128134.4 Ų134.478%0.77676%0.76SS**  trans-130.7132.1144.1179.80000108L69V67-L69 HydrophobicContact CG1-CD2 4.36Å; V67-L69 HydrophobicContact CG1-CG 4.33Å
68C22.7Very low27.2Very low128 Ų128134.2 Ų134.287%0.86576%0.76SS**  trans-77.9121.3172.1-64.20000109.5
69L26.3Very low27.5Very low139 Ų139137.5 Ų137.573%0.72876%0.761SS**  trans-119.8102.3171-70.1176.8000110.4V67V67-L69 HydrophobicContact CG1-CD2 4.36Å; V67-L69 HydrophobicContact CG1-CG 4.33Å
70S23Very low27.5Very low99 Ų99138.9 Ų138.969%0.69277%0.77SS**PPolyproline II helixtrans-58.2128.7154.9450000109.3
71F28.9Very low27.7Very low205 Ų205138.5 Ų138.590%0.89977%0.769SS**PPolyproline II helixtrans-77.9123.8165.8-85.3-83.7000109.5
72E27.8Very low27.6Very low169 Ų169135.9 Ų135.979%0.7976%0.764SS**PPolyproline II helixtrans-80168.2-164.8-68.5171108.100113.7V74E72-V74 PolarHBondContact O-N 2.9Å
73H26.3Very low27.9Very low161 Ų161133.6 Ų133.675%0.74576%0.764SS**PPolyproline II helixtrans-62.4118.3166.8-140.848.2000109.1D75H73-D75 VanDerWaalsContact C-N 3.31Å; H73-D75 IonicContact CD2-OD2 2.64Å; H73-D75 PolarHBondContact CD2-OD2 3.35Å; H73-D75 PolarHBondContact O-N 2.84Å
74V27.6Very low27.8Very low143 Ų143138.5 Ų138.587%0.86778%0.775SS**  trans-88.381.8165.9-176.80000107.8E72E72-V74 PolarHBondContact O-N 2.9Å
75D28Very low27.7Very low94 Ų94136.9 Ų136.950%0.50377%0.767SS.*  trans-69.5124.6174.7-116.3-38.1000110.4H73 L77H73-D75 VanDerWaalsContact C-N 3.31Å; H73-D75 IonicContact CD2-OD2 2.64Å; H73-D75 PolarHBondContact CD2-OD2 3.35Å; H73-D75 PolarHBondContact O-N 2.84Å; D75-L77 HydrophobicContact CB-CB 4.19Å; D75-L77 PolarHBondContact O-N 3.42Å
76P32.2Very low27.8Very low126 Ų126137 Ų13782%0.81877%0.772SS**  trans-78.350.516734.1-34.4000111L78P76-L78 VanDerWaalsContact C-N 3.27Å; P76-L78 PolarHBondContact O-N 2.95Å
77L28.1Very low28.2Very low132 Ų132140.6 Ų140.669%0.69178%0.776SS**  trans-8362.9-176.8-114.3172.2000112.5D75D75-L77 HydrophobicContact CB-CB 4.19Å; D75-L77 PolarHBondContact O-N 3.42Å
78L31Very low28.4Very low155 Ų155143.1 Ų143.181%0.81278%0.777SS**  trans-105.784168.2-76.7178.9000112.3P76P76-L78 VanDerWaalsContact C-N 3.27Å; P76-L78 PolarHBondContact O-N 2.95Å
79Q30.2Very low28.9Very low152 Ų152143.7 Ų143.771%0.7178%0.777SS**  trans55.388.6141.3-59.2-177.56.800117.6T81Q79-T81 PolarHBondContact O-N 2.96Å
80S25.4Very low29Very low127 Ų127143.6 Ų143.689%0.88878%0.775SS**  trans-69.2101.2157.257.60000111.3
81T32.4Very low29.6Very low123 Ų123144 Ų14476%0.75578%0.776SS**  trans-103.199.9168.840.10000110.7Q79Q79-T81 PolarHBondContact O-N 2.96Å
82S27Very low29.8Very low111 Ų111142.9 Ų142.978%0.77677%0.773SS**  trans-83.1137.6171.6-177.90000111.2R84S82-R84 PolarHBondContact OG-N 2.95Å
83P33Very low29.8Very low121 Ų121142 Ų14279%0.78677%0.774SS**  trans-127.8101.5136.433.6-22.9000112.5
84R27.3Very low30.2Very low223 Ų223141.6 Ų141.684%0.84277%0.772SS**  4.7152.9126.1-172.3179.5-174.2168.42.7119.3S82S82-R84 PolarHBondContact OG-N 2.95Å
85S28.7Very low30.3Very low95 Ų95141.9 Ų141.966%0.66476%0.762SS**  trans87.1100.5169.5-71.70000115.1
86T27.6Very low30.6Very low131 Ų131146.6 Ų146.680%0.80478%0.78SS**  78.2105.364.764.30000114.8
87E32.6Very low30.4Very low191 Ų191146.1 Ų146.189%0.89378%0.78SS**  trans-136157.5136.1-168.9144.9-139.900108.7
88K30.1Very low30.4Very low180 Ų180143.2 Ų143.278%0.78378%0.783SS**  trans-126.2130.1179.9-68.7177.7179.4177.10109.3
89T34.3Very low30.3Very low141 Ų141143.9 Ų143.987%0.86579%0.786SS**  trans-128.4136.9155.7-45.40000108
90I28.4Very low30.1Very low137 Ų137146.4 Ų146.470%0.70380%0.795SS**  trans-120.2-163.8-171.5-30.2-179.1000108.4
91P35.3Very low30.2Very low108 Ų108146 Ų14670%0.70179%0.787SS**  -106.3169.3-119.741.2-28.2000115.1
92Q33.3Very low30Very low181 Ų181148.7 Ų148.785%0.84679%0.788SS**  -164.4133.1125.4-102158.7-5.200107.5
93D27.6Very low30.2Very low151 Ų151151.5 Ų151.581%0.80779%0.793SS**  6296.564.7-111.9-21.9000113.2
94E34.1Very low30.1Very low151 Ų151153.4 Ų153.471%0.70679%0.789SS**  -164135.3116.9-103.5-167148.300114
95K30.3Very low30.2Very low150 Ų150146.9 Ų146.965%0.65278%0.778SS**  trans18.7128142.1-55155.6-169.5165.40118.4
96H34.5Very low30.1Very low192 Ų192151.1 Ų151.189%0.88979%0.787SS**  -167.3150.7101.7-102.8-71.8000112.1
97S27.1Very low30.2Very low116 Ų116153.3 Ų153.381%0.81179%0.793SS**  trans-126.9149.6-176.352.10000112.1
98G27.9Very low30Very low72 Ų72148.8 Ų148.874%0.74278%0.782SS**  trans98.6154.7-175.300000113
99L28.9Very low29.8Very low169 Ų169145.9 Ų145.989%0.88579%0.785SS**  cis-134.5153.82.4-79.389.8000112.2
100F25.9Very low29.6Very low204 Ų204145.8 Ų145.890%0.89578%0.779SS**  trans-71.8135.8151.8-86.6-110.6000109.6
101T27.8Very low29.7Very low119 Ų119147.4 Ų147.473%0.7379%0.789SS**  -176.7136.3122.926.60000115.3
102K28Very low29.4Very low179 Ų179145.3 Ų145.378%0.77879%0.787SS**  trans40.8103.3139.9-62.6173.7178.7173.20120.9
103I32.5Very low29.3Very low171 Ų171144.4 Ų144.488%0.87779%0.787SS**  -138.699.3128.7-54.2177.2000103.5
104K30.3Very low29.2Very low160 Ų160145 Ų14570%0.69679%0.785SS**  55.683.350.5-115.4-143.3171-150.20113.6
105S28.4Very low28.9Very low87 Ų87144.4 Ų144.461%0.60879%0.786SS**  trans18.6114.7134.558.90000117.7
106E27.3Very low28.9Very low184 Ų184144.4 Ų144.486%0.8680%0.799SS**  trans-172.6103.4133.8-103.3152-126.700110.1
107L29.3Very low28.6Very low177 Ų177144.1 Ų144.193%0.92780%0.795SS**  trans-129.9124.4151.9-102.4173.4000105.9
108S27.9Very low28.7Very low95 Ų95144.6 Ų144.666%0.66479%0.788SS**  trans-75.3147-158.7-178.20000113.4D110S108-D110 PolarHBondContact OG-N 3.47Å; S108-D110 VanDerWaalsContact OG-N 3.07Å
109S27.4Very low28.9Very low120 Ų120148.6 Ų148.684%0.83979%0.788SS**  trans-13239.3162.336.70000110.8N111S109-N111 PolarHBondContact O-N 2.79Å
110D28.9Very low29Very low139 Ų139147.4 Ų147.474%0.74378%0.782SS**  trans-92.192.9173.6-75-56000111.6S108S108-D110 PolarHBondContact OG-N 3.47Å; S108-D110 VanDerWaalsContact OG-N 3.07Å
111N32Very low29.2Very low171 Ų171146.4 Ų146.491%0.91478%0.78SS**  trans172.9116.5155.1-92-34.9000106.4S109S109-N111 PolarHBondContact O-N 2.79Å
112G28.1Very low29.5Very low63 Ų63150 Ų15065%0.64979%0.789SS**  cis159157.91.400000108.6
113L30.2Very low29.4Very low163 Ų163151.5 Ų151.585%0.85380%0.798SS**  trans68.7107.7-173.8-49.7170.3000112.8
114E27.5Very low29.3Very low162 Ų162146.7 Ų146.776%0.75779%0.791SS**  60.8100.555.2-56.6-154.6124.100112.3
115L26.1Very low29.3Very low140 Ų140147 Ų14773%0.73380%0.801SS**  88.5113.885.5-80.4172.4000113
116T31.1Very low29.4Very low150 Ų150154.4 Ų154.492%0.9282%0.815SS**  -155.6123.3129.24.80000108.4
117K29Very low29.7Very low185 Ų185151.4 Ų151.480%0.80481%0.812SS**  trans-134.7143.8175.2-148.7-178-170.6-178.60106.6
118N28.9Very low29.8Very low126 Ų126150.7 Ų150.767%0.67481%0.806SS**  trans69.3152-174.1-58.323.8000113.4
119E30.9Very low29.8Very low157 Ų157153.9 Ų153.973%0.73482%0.815SS**  cis-149.1137.6-1.2-136.1157.3131.500111.5
120N32.4Very low30.2Very low143 Ų143154.1 Ų154.177%0.76581%0.807SS**  trans157.7136.9141.3-88.6-59.6000110.4
121Q29.4Very low30.5Very low184 Ų184152.1 Ų152.186%0.8680%0.801SS**  trans48.6120.4159-63.1170.8-31.500116.8
122E33.2Very low30.5Very low195 Ų195152.7 Ų152.791%0.91180%0.804SS**  cis-146.6-169.141-66.8-175.512500113
123Q26.1Very low30.9Very low209 Ų209152 Ų15298%0.97780%0.798SS**  trans-83.5127.1-176.6-65168-101.700112.4
124G30.4Very low31.5Very low71 Ų71149.9 Ų149.973%0.73280%0.796SS**  trans-156.9153.4174.100000112.5
125D30.3Very low33Very low166 Ų166146.5 Ų146.589%0.88878%0.779SS**PPolyproline II helixtrans-64.2146.9-170-71.8-66.9000114.9P127D125-P127 WeakPolarHBondContact O-CD 3.47Å
126R30.7Very low34.4Very low242 Ų242148 Ų14891%0.91378%0.782SS**PPolyproline II helixtrans-73.8124.8174.2-70-174.6177.5-164.2-0.5110.9
127P33.5Very low36.2Very low122 Ų122143.3 Ų143.379%0.79275%0.748SS**PPolyproline II helixtrans-68.1143.8163.530.1-33.3000110.2D125D125-P127 WeakPolarHBondContact O-CD 3.47Å
128M30.8Very low38.2Very low161 Ų161139.1 Ų139.179%0.79373%0.734SS**PPolyproline II helixtrans-81.5131.1168.7-81.3-83.8-69.200109.5L130M128-L130 PolarHBondContact O-N 3.46Å; M128-L130 VanDerWaalsContact O-N 3.15Å
129D29.8Very low40.2Very low163 Ų163138.6 Ų138.687%0.87273%0.728SS**  trans-63113.2171.5-68-58.9000110.5
130L34.2Very low41.9Very low125 Ų125134.3 Ų134.365%0.65471%0.712SS**  trans-72.5145166.5-79.788.7000109.6M128 N132 L162M128-L130 PolarHBondContact O-N 3.46Å; M128-L130 VanDerWaalsContact O-N 3.15Å; L130-N132 PolarHBondContact O-N 3.28Å; L130-N132 VanDerWaalsContact O-N 3.14Å; L130-L162 HydrophobicContact CD2-CD2 4.08Å
131P35.7Very low43.2Very low96 Ų96133.5 Ų133.562%0.62371%0.707SS**  trans-61.5119.7177.325.6-33.8000110.4G133P131-G133 PolarHBondContact O-N 3.27Å
132N31.4Very low44.7Very low183 Ų183127 Ų12798%0.97968%0.678SS**SBendtrans-75.388.5-172.2-140.8-5.8000110.3L130L130-N132 PolarHBondContact O-N 3.28Å; L130-N132 VanDerWaalsContact O-N 3.14Å
133G37.3Very low45.8Very low50 Ų50124.7 Ų124.752%0.51567%0.672SS.*  trans-164.974.6-17300000111.8P131 K135P131-G133 PolarHBondContact O-N 3.27Å; G133-K135 VanDerWaalsContact C-N 3.28Å; G133-K135 PolarHBondContact O-N 3.46Å
134S43.1Very low47.3Very low118 Ų118118.3 Ų118.383%0.82566%0.663SS**  trans-70.874.3-175.559.50000113Q136S134-Q136 PolarHBondContact O-N 3.48Å; S134-Q136 VanDerWaalsContact O-N 3.08Å
135K58.6Low48.3Very low91 Ų91121.4 Ų121.440%0.39666%0.656SS.*  trans-63.1107.1166-71-176.1179.1-179.80109.2G133 Y137 D155 E158G133-K135 VanDerWaalsContact C-N 3.28Å; G133-K135 PolarHBondContact O-N 3.46Å; K135-Y137 WeakPolarHBondContact O-CD2 3.43Å; K135-Y137 VanDerWaalsContact O-CE2 3.3Å; K135-Y137 WeakPolarHBondContact O-CE2 3.4Å; K135-Y137 PolarHBondContact O-N 2.92Å; K135-D155 WeakPolarHBondContact CD-OD1 3.46Å; K135-D155 WeakPolarHBondContact CE-OD1 3.27Å; K135-D155 IonicContact NZ-OD1 2.6Å; K135-D155 PolarHBondContact NZ-OD1 3.36Å; K135-E158 WeakPolarHBondContact CD-OE2 3.32Å; K135-E158 VanDerWaalsContact CE-OE2 3.23Å; K135-E158 WeakPolarHBondContact CE-OE2 3.44Å; K135-E158 IonicContact NZ-OE2 2.71Å; K135-E158 PolarHBondContact NZ-OE2 3.45Å
136Q54.9Low50Low170 Ų170115.9 Ų115.979%0.79463%0.633SS**  trans-67.5124.8169.5-71.5174.6-27.500109.6S134S134-Q136 PolarHBondContact O-N 3.48Å; S134-Q136 VanDerWaalsContact O-N 3.08Å
137Y70.6Confident52Low53 Ų53107.9 Ų107.921%0.20861%0.608CS.*  trans-96.5121.6170-52.5-81.9000107.4K135 E139 F150 D155 F159K135-Y137 WeakPolarHBondContact O-CD2 3.43Å; K135-Y137 VanDerWaalsContact O-CE2 3.3Å; K135-Y137 WeakPolarHBondContact O-CE2 3.4Å; K135-Y137 PolarHBondContact O-N 2.92Å; Y137-E139 PolarHBondContact O-N 3.1Å; Y137-F150 AromaticContact CD1-CD1 3.43Å; Y137-F150 HydrophobicContact CD1-CD1 3.43Å; Y137-F150 VanDerWaalsContact CD1-CD1 3.43Å; Y137-F150 AromaticContact CD1-CE1 3.46Å; Y137-F150 HydrophobicContact CD1-CE1 3.46Å; Y137-F150 VanDerWaalsContact CD1-CE1 3.46Å; Y137-F150 AromaticContact CE1-CD1 3.63Å; Y137-F150 HydrophobicContact CE1-CD1 3.63Å; Y137-F150 AromaticContact CE1-CE1 3.67Å; Y137-F150 HydrophobicContact CE1-CE1 3.67Å; Y137-F150 HydrophobicContact CG-CE1 4.22Å; Y137-D155 HydrophobicContact CE1-CB 4.11Å; Y137-F159 HydrophobicContact CD2-CD2 4.01Å; Y137-F159 HydrophobicContact CE1-CB 4.04Å; Y137-F159 HydrophobicContact CE1-CD2 4.49Å; Y137-F159 HydrophobicContact CE2-CB 4.46Å; Y137-F159 AromaticContact CE2-CD2 3.77Å; Y137-F159 HydrophobicContact CE2-CD2 3.77Å; Y137-F159 HydrophobicContact CG-CD2 4.49Å
138N69.2Low54.4Low97 Ų97105.1 Ų105.152%0.51959%0.586SS.*EExtended strand (participates in β ladder)trans-74.8113.7179.8-68.536.2000108.8S149N138-S149 WeakPolarHBondContact CB-OG 3.34Å; N138-S149 PolarHBondContact O-N 3.29Å; N138-S149 PolarHBondContact O-OG 3.36Å
139E71Confident56.5Low114 Ų114100 Ų10053%0.53357%0.566SS.*EExtended strand (participates in β ladder)trans-77.2134.2166.7-170.8174.814700109.8Y137 A146 L148Y137-E139 PolarHBondContact O-N 3.1Å; E139-A146 HydrophobicContact CG-CB 4.06Å; E139-A146 WeakPolarHBondContact OE1-CB 3.37Å; E139-L148 HydrophobicContact CB-CD2 4.29Å
140V67.5Low59Low68 Ų6895.4 Ų95.441%0.41254%0.539SS..EExtended strand (participates in β ladder)trans-125.7114176.4-174.10000108.6I142 I147V140-I142 HydrophobicContact CG1-CD1 4.2Å; V140-I142 HydrophobicContact CG1-CG1 3.94Å; V140-I147 PolarHBondContact N-O 3.06Å; V140-I147 WeakPolarHBondContact O-CB 3.36Å; V140-I147 PolarHBondContact O-N 2.99Å
141L60.7Low61Low125 Ų12598.3 Ų98.365%0.65455%0.546SS*.EExtended strand (participates in β ladder)trans-78.4121.1174.8-68167.7000110F145 A146L141-F145 WeakPolarHBondContact CA-O 3.43Å; L141-A146 HydrophobicContact CD2-CB 4.2Å
142I59.6Low62.9Low49 Ų4997.1 Ų97.125%0.25154%0.537SS..EExtended strand (participates in β ladder)trans-132.9123.2174.9-51.7-172.3000109V140 G144 F145 I147V140-I142 HydrophobicContact CG1-CD1 4.2Å; V140-I142 HydrophobicContact CG1-CG1 3.94Å; I142-G144 PolarHBondContact O-N 2.96Å; I142-G144 VanDerWaalsContact O-N 3.12Å; I142-F145 PolarHBondContact N-O 3.3Å; I142-F145 WeakPolarHBondContact O-CB 3.44Å; I142-F145 PolarHBondContact O-N 3.44Å; I142-I147 HydrophobicContact CB-CD1 4.31Å; I142-I147 HydrophobicContact CD1-CD1 3.92Å; I142-I147 HydrophobicContact CG1-CD1 4.15Å
143D57.4Low64.8Low145 Ų14594.3 Ų94.378%0.77552%0.519SS*.THydrogen-bonded Turntrans48.635.9-178.3-63.3-17.4000114F145D143-F145 WeakPolarHBondContact O-CD2 3.49Å
144G56.1Low66.6Low76 Ų7697.1 Ų97.178%0.78452%0.522SS*.THydrogen-bonded Turntrans832.7-177.400000115.5I142I142-G144 PolarHBondContact O-N 2.96Å; I142-G144 VanDerWaalsContact O-N 3.12Å
145F52.9Low68Low136 Ų13692.2 Ų92.260%0.59649%0.487SS*.EExtended strand (participates in β ladder)trans-101.8125176.1-63.4-86.4000111.7L141 I142 D143L141-F145 WeakPolarHBondContact CA-O 3.43Å; I142-F145 PolarHBondContact N-O 3.3Å; I142-F145 WeakPolarHBondContact O-CB 3.44Å; I142-F145 PolarHBondContact O-N 3.44Å; D143-F145 WeakPolarHBondContact O-CD2 3.49Å
146A64.7Low68.9Low50 Ų5090.7 Ų90.741%0.41348%0.482SS..EExtended strand (participates in β ladder)trans-68123.216700000111.2E139 L141E139-A146 HydrophobicContact CG-CB 4.06Å; E139-A146 WeakPolarHBondContact OE1-CB 3.37Å; L141-A146 HydrophobicContact CD2-CB 4.2Å
147I74Confident69.8Low74 Ų7486.3 Ų86.338%0.37946%0.464SS..EExtended strand (participates in β ladder)trans-119103.3174.5-54.1-179.1000109.3V140 I142 S149V140-I147 PolarHBondContact N-O 3.06Å; V140-I147 WeakPolarHBondContact O-CB 3.36Å; V140-I147 PolarHBondContact O-N 2.99Å; I142-I147 HydrophobicContact CB-CD1 4.31Å; I142-I147 HydrophobicContact CD1-CD1 3.92Å; I142-I147 HydrophobicContact CG1-CD1 4.15Å; I147-S149 PolarHBondContact O-N 3.14Å
148L82.1Confident70.1Confident64 Ų6486.6 Ų86.634%0.33547%0.467SS..EExtended strand (participates in β ladder)trans-66.6125.1168-67.9171.2000110.1E139 F150 F159E139-L148 HydrophobicContact CB-CD2 4.29Å; L148-F150 HydrophobicContact CB-CE2 4.05Å; L148-F150 HydrophobicContact CB-CZ 3.94Å; L148-F150 HydrophobicContact CD1-CZ 4.46Å; L148-F159 HydrophobicContact CD1-CE1 3.97Å; L148-F159 HydrophobicContact CD1-CE2 3.85Å; L148-F159 HydrophobicContact CD1-CZ 3.42Å; L148-F159 VanDerWaalsContact CD1-CZ 3.42Å
149S76.6Confident70.5Confident52 Ų5284.9 Ų84.936%0.36446%0.455SS..EExtended strand (participates in β ladder)trans-106.1130.6176.364.80000111.9N138 I147N138-S149 WeakPolarHBondContact CB-OG 3.34Å; N138-S149 PolarHBondContact O-N 3.29Å; N138-S149 PolarHBondContact O-OG 3.36Å; I147-S149 PolarHBondContact O-N 3.14Å
150F80.9Confident70.6Confident68 Ų6880.8 Ų80.830%0.29844%0.438SS..  trans-110.1135.1-178.1-57-79.9000109.3Y137 L148 D155 M156 F159Y137-F150 AromaticContact CD1-CD1 3.43Å; Y137-F150 HydrophobicContact CD1-CD1 3.43Å; Y137-F150 VanDerWaalsContact CD1-CD1 3.43Å; Y137-F150 AromaticContact CD1-CE1 3.46Å; Y137-F150 HydrophobicContact CD1-CE1 3.46Å; Y137-F150 VanDerWaalsContact CD1-CE1 3.46Å; Y137-F150 AromaticContact CE1-CD1 3.63Å; Y137-F150 HydrophobicContact CE1-CD1 3.63Å; Y137-F150 AromaticContact CE1-CE1 3.67Å; Y137-F150 HydrophobicContact CE1-CE1 3.67Å; Y137-F150 HydrophobicContact CG-CE1 4.22Å; L148-F150 HydrophobicContact CB-CE2 4.05Å; L148-F150 HydrophobicContact CB-CZ 3.94Å; L148-F150 HydrophobicContact CD1-CZ 4.46Å; F150-D155 HydrophobicContact CB-CB 4.29Å; F150-D155 HydrophobicContact CD1-CB 4.25Å; F150-M156 HydrophobicContact CB-CB 4.23Å; F150-M156 HydrophobicContact CD1-CB 4.08Å; F150-M156 HydrophobicContact CD2-CB 4.14Å; F150-M156 HydrophobicContact CD2-CG 4.08Å; F150-M156 HydrophobicContact CE2-CG 4.19Å; F150-M156 HydrophobicContact CG-CB 3.87Å; F150-M156 HydrophobicContact CG-CG 4.31Å; F150-F159 HydrophobicContact CD1-CB 4.45Å; F150-F159 HydrophobicContact CE1-CB 3.55Å; F150-F159 HydrophobicContact CE1-CD1 4.11Å; F150-F159 HydrophobicContact CE1-CD2 4.2Å; F150-F159 AromaticContact CE1-CG 3.69Å; F150-F159 HydrophobicContact CE1-CG 3.69Å; F150-F159 HydrophobicContact CZ-CB 4.2Å; F150-F159 AromaticContact CZ-CD1 3.88Å; F150-F159 HydrophobicContact CZ-CD1 3.88Å; F150-F159 HydrophobicContact CZ-CE1 4.44Å; F150-F159 AromaticContact CZ-CG 3.94Å; F150-F159 HydrophobicContact CZ-CG 3.94Å
151K76Confident71Confident185 Ų18584 Ų8480%0.80445%0.446SS*.SBendtrans-77-33.5-179.9-66.3173.5-177.9168.60111.4D155K151-D155 WeakPolarHBondContact CB-OD2 3.42Å; K151-D155 PolarHBondContact N-OD2 3.13Å
152T77.1Confident71.7Confident71 Ų7180.7 Ų80.744%0.43643%0.429SS..SBendtrans-133.5168.3-179.268.60000112.1D154 D155T152-D154 VanDerWaalsContact C-N 3.27Å; T152-D154 PolarHBondContact OG1-N 2.86Å; T152-D155 WeakPolarHBondContact CB-OD2 3.32Å; T152-D155 PolarHBondContact N-OD2 3.46Å; T152-D155 PolarHBondContact OG1-N 2.9Å; T152-D155 VanDerWaalsContact OG1-N 3.08Å; T152-D155 PolarHBondContact OG1-OD1 3.24Å; T152-D155 PolarHBondContact OG1-OD2 3.12Å
153M71.2Confident72.3Confident125 Ų12580.1 Ų80.162%0.61643%0.429SS*.Hα-helixtrans-64.9-34.4170.7-172.565.161.600111.4M156 L157M153-M156 WeakPolarHBondContact O-CB 3.05Å; M153-M156 PolarHBondContact O-N 3.46Å; M153-M156 HydrophobicContact SD-CE 3.59Å; M153-M156 VanDerWaalsContact SD-CE 3.59Å; M153-L157 HydrophobicContact CG-CD1 4.29Å; M153-L157 WeakPolarHBondContact O-CG 3.05Å; M153-L157 PolarHBondContact O-N 3.46Å
154D73.8Confident72.7Confident108 Ų10875.5 Ų75.558%0.57840%0.403SS*.Hα-helixtrans-69-37.4-179.4-60.2-62.4000111.6T152 M156 L157 E158T152-D154 VanDerWaalsContact C-N 3.27Å; T152-D154 PolarHBondContact OG1-N 2.86Å; D154-M156 VanDerWaalsContact C-N 3.27Å; D154-M156 PolarHBondContact O-N 3.29Å; D154-L157 CarbonylContact O-C 3.58Å; D154-L157 PolarHBondContact O-N 3.47Å; D154-L157 VanDerWaalsContact O-N 3.17Å; D154-E158 WeakPolarHBondContact O-CB 3.31Å; D154-E158 PolarHBondContact O-N 3.32Å
155D74.2Confident73.4Confident16 Ų1677.5 Ų77.59%0.08640%0.395CS..Hα-helixtrans-59.6-38.6172.4-55.1-38.7000111.7K135 Y137 F150 K151 T152 F159K135-D155 WeakPolarHBondContact CD-OD1 3.46Å; K135-D155 WeakPolarHBondContact CE-OD1 3.27Å; K135-D155 IonicContact NZ-OD1 2.6Å; K135-D155 PolarHBondContact NZ-OD1 3.36Å; Y137-D155 HydrophobicContact CE1-CB 4.11Å; F150-D155 HydrophobicContact CB-CB 4.29Å; F150-D155 HydrophobicContact CD1-CB 4.25Å; K151-D155 WeakPolarHBondContact CB-OD2 3.42Å; K151-D155 PolarHBondContact N-OD2 3.13Å; T152-D155 WeakPolarHBondContact CB-OD2 3.32Å; T152-D155 PolarHBondContact N-OD2 3.46Å; T152-D155 PolarHBondContact OG1-N 2.9Å; T152-D155 VanDerWaalsContact OG1-N 3.08Å; T152-D155 PolarHBondContact OG1-OD1 3.24Å; T152-D155 PolarHBondContact OG1-OD2 3.12Å; D155-F159 WeakPolarHBondContact O-CB 3.33Å; D155-F159 PolarHBondContact O-N 3.3Å
156M75.7Confident73.9Confident58 Ų5878.8 Ų78.829%0.28640%0.403SS..Hα-helixtrans-70.9-38.2176.1-171.2-160.47300111.7F150 M153 D154 T160F150-M156 HydrophobicContact CB-CB 4.23Å; F150-M156 HydrophobicContact CD1-CB 4.08Å; F150-M156 HydrophobicContact CD2-CB 4.14Å; F150-M156 HydrophobicContact CD2-CG 4.08Å; F150-M156 HydrophobicContact CE2-CG 4.19Å; F150-M156 HydrophobicContact CG-CB 3.87Å; F150-M156 HydrophobicContact CG-CG 4.31Å; M153-M156 WeakPolarHBondContact O-CB 3.05Å; M153-M156 PolarHBondContact O-N 3.46Å; M153-M156 HydrophobicContact SD-CE 3.59Å; M153-M156 VanDerWaalsContact SD-CE 3.59Å; D154-M156 VanDerWaalsContact C-N 3.27Å; D154-M156 PolarHBondContact O-N 3.29Å; M156-T160 WeakPolarHBondContact O-CB 3.42Å; M156-T160 PolarHBondContact O-N 3.16Å; M156-T160 PolarHBondContact O-OG1 2.71Å
157L75.6Confident73.4Confident78 Ų7879.7 Ų79.741%0.40840%0.401SS..Hα-helixtrans-70-33.4175.3-70.9171.7000112.1M153 D154 T160 K161M153-L157 HydrophobicContact CG-CD1 4.29Å; M153-L157 WeakPolarHBondContact O-CG 3.05Å; M153-L157 PolarHBondContact O-N 3.46Å; D154-L157 CarbonylContact O-C 3.58Å; D154-L157 PolarHBondContact O-N 3.47Å; D154-L157 VanDerWaalsContact O-N 3.17Å; L157-T160 PolarHBondContact O-N 3.14Å; L157-K161 VanDerWaalsContact O-CG 3.26Å; L157-K161 WeakPolarHBondContact O-CG 3.47Å; L157-K161 PolarHBondContact O-N 3.35Å
158E75.5Confident72.3Confident60 Ų6080.9 Ų80.928%0.2841%0.414SS..Hα-helixtrans-70.5-47.9175-173.9166.2-154.700111.1K135 D154 T160 K161 L162K135-E158 WeakPolarHBondContact CD-OE2 3.32Å; K135-E158 VanDerWaalsContact CE-OE2 3.23Å; K135-E158 WeakPolarHBondContact CE-OE2 3.44Å; K135-E158 IonicContact NZ-OE2 2.71Å; K135-E158 PolarHBondContact NZ-OE2 3.45Å; D154-E158 WeakPolarHBondContact O-CB 3.31Å; D154-E158 PolarHBondContact O-N 3.32Å; E158-T160 VanDerWaalsContact C-N 3.27Å; E158-T160 PolarHBondContact O-N 3.38Å; E158-K161 PolarHBondContact O-N 2.97Å; E158-L162 HydrophobicContact CG-CD1 4.38Å; E158-L162 VanDerWaalsContact O-CG 3.32Å; E158-L162 WeakPolarHBondContact O-CG 3.5Å; E158-L162 PolarHBondContact O-N 3.3Å
159F77.9Confident70.7Confident61 Ų6181 Ų8127%0.26843%0.43SS..Hα-helixtrans-56.1-41.7168.8-177.1-92.6000112.1Y137 L148 F150 D155 L162 S163Y137-F159 HydrophobicContact CD2-CD2 4.01Å; Y137-F159 HydrophobicContact CE1-CB 4.04Å; Y137-F159 HydrophobicContact CE1-CD2 4.49Å; Y137-F159 HydrophobicContact CE2-CB 4.46Å; Y137-F159 AromaticContact CE2-CD2 3.77Å; Y137-F159 HydrophobicContact CE2-CD2 3.77Å; Y137-F159 HydrophobicContact CG-CD2 4.49Å; L148-F159 HydrophobicContact CD1-CE1 3.97Å; L148-F159 HydrophobicContact CD1-CE2 3.85Å; L148-F159 HydrophobicContact CD1-CZ 3.42Å; L148-F159 VanDerWaalsContact CD1-CZ 3.42Å; F150-F159 HydrophobicContact CD1-CB 4.45Å; F150-F159 HydrophobicContact CE1-CB 3.55Å; F150-F159 HydrophobicContact CE1-CD1 4.11Å; F150-F159 HydrophobicContact CE1-CD2 4.2Å; F150-F159 AromaticContact CE1-CG 3.69Å; F150-F159 HydrophobicContact CE1-CG 3.69Å; F150-F159 HydrophobicContact CZ-CB 4.2Å; F150-F159 AromaticContact CZ-CD1 3.88Å; F150-F159 HydrophobicContact CZ-CD1 3.88Å; F150-F159 HydrophobicContact CZ-CE1 4.44Å; F150-F159 AromaticContact CZ-CG 3.94Å; F150-F159 HydrophobicContact CZ-CG 3.94Å; D155-F159 WeakPolarHBondContact O-CB 3.33Å; D155-F159 PolarHBondContact O-N 3.3Å; F159-L162 PolarHBondContact O-N 3.33Å; F159-S163 PolarHBondContact O-N 2.94Å; F159-S163 PolarHBondContact O-OG 3.3Å
160T73.2Confident69.6Low27 Ų2781 Ų8117%0.16643%0.425CS..Hα-helixtrans-60.7-50.6175.6-56.60000110.5M156 L157 E158 L162 S163 E164M156-T160 WeakPolarHBondContact O-CB 3.42Å; M156-T160 PolarHBondContact O-N 3.16Å; M156-T160 PolarHBondContact O-OG1 2.71Å; L157-T160 PolarHBondContact O-N 3.14Å; E158-T160 VanDerWaalsContact C-N 3.27Å; E158-T160 PolarHBondContact O-N 3.38Å; T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 3.49Å; T160-S163 PolarHBondContact O-N 2.87Å; T160-S163 PolarHBondContact O-OG 3.44Å; T160-E164 HydrophobicContact CG2-CG 4.37Å; T160-E164 WeakPolarHBondContact O-CB 3.47Å; T160-E164 WeakPolarHBondContact O-CG 3.22Å; T160-E164 PolarHBondContact O-N 2.95Å
161K75.7Confident68Low135 Ų13580.6 Ų80.659%0.58743%0.428SS*.Hα-helixtrans-58.3-40.8176.3-73.2165.4-177173.90112.9L157 E158 E164 L165L157-K161 VanDerWaalsContact O-CG 3.26Å; L157-K161 WeakPolarHBondContact O-CG 3.47Å; L157-K161 PolarHBondContact O-N 3.35Å; E158-K161 PolarHBondContact O-N 2.97Å; K161-E164 PolarHBondContact O-N 3.15Å; K161-L165 WeakPolarHBondContact O-CB 3.33Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 3.22Å
162L74.8Confident66.9Low56 Ų5674.8 Ų74.829%0.29341%0.409SS..Hα-helixtrans-63.4-45.1176.1-70.8166.7000110.8L130 E158 F159 T160 E164 L165 Q166L130-L162 HydrophobicContact CD2-CD2 4.08Å; E158-L162 HydrophobicContact CG-CD1 4.38Å; E158-L162 VanDerWaalsContact O-CG 3.32Å; E158-L162 WeakPolarHBondContact O-CG 3.5Å; E158-L162 PolarHBondContact O-N 3.3Å; F159-L162 PolarHBondContact O-N 3.33Å; T160-L162 VanDerWaalsContact C-N 3.33Å; T160-L162 PolarHBondContact O-N 3.49Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.06Å; L162-L165 PolarHBondContact O-N 3.33Å; L162-Q166 WeakPolarHBondContact O-CB 3.4Å; L162-Q166 PolarHBondContact O-N 3.05Å
163S72Confident65.7Low37 Ų3774 Ų7426%0.25940%0.401SS..Hα-helixtrans-66.7-31175.373.50000113.5F159 T160 N167F159-S163 PolarHBondContact O-N 2.94Å; F159-S163 PolarHBondContact O-OG 3.3Å; T160-S163 PolarHBondContact O-N 2.87Å; T160-S163 PolarHBondContact O-OG 3.44Å; S163-N167 WeakPolarHBondContact O-CB 3.26Å; S163-N167 PolarHBondContact O-N 3.34Å
164E67Low65.2Low49 Ų4969.5 Ų69.523%0.22938%0.38CS..Hα-helixtrans-74.4-36.4174.3-74.4-178.5156.500112.4T160 K161 L162 N167 P168 T171T160-E164 HydrophobicContact CG2-CG 4.37Å; T160-E164 WeakPolarHBondContact O-CB 3.47Å; T160-E164 WeakPolarHBondContact O-CG 3.22Å; T160-E164 PolarHBondContact O-N 2.95Å; K161-E164 PolarHBondContact O-N 3.15Å; L162-E164 VanDerWaalsContact C-N 3.33Å; L162-E164 PolarHBondContact O-N 3.06Å; E164-N167 CarbonylContact O-C 3.17Å; E164-N167 PolarHBondContact O-N 2.99Å; E164-P168 WeakPolarHBondContact O-CA 3.29Å; E164-T171 HydrophobicContact CB-CG2 3.89Å; E164-T171 VanDerWaalsContact CD-CG2 3.47Å; E164-T171 HydrophobicContact CG-CG2 3.76Å
165L70.8Confident64.8Low118 Ų11869.2 Ų69.262%0.61838%0.375SS*.Hα-helixtrans-63.5-41.2170.5-84160.4000111.4K161 L162 N167K161-L165 WeakPolarHBondContact O-CB 3.33Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 3.22Å; L162-L165 PolarHBondContact O-N 3.33Å; L165-N167 VanDerWaalsContact C-N 3.34Å
166Q64Low64.7Low162 Ų16275.1 Ų75.176%0.75740%0.4SS*.Hα-helixtrans-75.6-21.4178.2-157.7171.618.500112.8L162L162-Q166 WeakPolarHBondContact O-CB 3.4Å; L162-Q166 PolarHBondContact O-N 3.05Å
167N53.4Low64.3Low69 Ų6974.5 Ų74.537%0.36940%0.399SS..  trans-136.572.5179-72.5-86.5000112.4S163 E164 L165 G169 M170S163-N167 WeakPolarHBondContact O-CB 3.26Å; S163-N167 PolarHBondContact O-N 3.34Å; E164-N167 CarbonylContact O-C 3.17Å; E164-N167 PolarHBondContact O-N 2.99Å; L165-N167 VanDerWaalsContact C-N 3.34Å; N167-G169 PolarHBondContact O-N 3.39Å; N167-M170 HydrophobicContact CB-CG 3.89Å; N167-M170 WeakPolarHBondContact O-CB 3.49Å; N167-M170 PolarHBondContact O-N 3.1Å
168P51Low63.9Low100 Ų10075.5 Ų75.565%0.64940%0.398SS*.THydrogen-bonded Turntrans-62-13.8-171.421.7-33.5000115.5E164 M170 T171E164-P168 WeakPolarHBondContact O-CA 3.29Å; P168-M170 VanDerWaalsContact C-N 3.33Å; P168-M170 PolarHBondContact O-N 3.39Å; P168-T171 PolarHBondContact O-OG1 2.87Å
169G47.9Very low63.9Low67 Ų6777.6 Ų77.669%0.69141%0.406SS*.THydrogen-bonded Turntrans-75.2-11.8174.100000115.6N167N167-G169 PolarHBondContact O-N 3.39Å
170M53.7Low63.7Low52 Ų5283.5 Ų83.526%0.25643%0.427SS..SBendtrans-84-35.8-170.7-70.8-74.3-87.700114.2N167 P168 M173 I174 Q202N167-M170 HydrophobicContact CB-CG 3.89Å; N167-M170 WeakPolarHBondContact O-CB 3.49Å; N167-M170 PolarHBondContact O-N 3.1Å; P168-M170 VanDerWaalsContact C-N 3.33Å; P168-M170 PolarHBondContact O-N 3.39Å; M170-M173 PolarHBondContact O-N 3.38Å; M170-M173 HydrophobicContact SD-CE 4.13Å; M170-I174 HydrophobicContact CB-CD1 4.3Å; M170-I174 PolarHBondContact O-N 3.09Å; M170-Q202 HydrophobicContact CE-CB 3.95Å
171T47.9Very low63.5Low59 Ų5982.9 Ų82.936%0.36243%0.425SS..Hα-helixtrans-46-49.2-176.643.70000114.8E164 P168 M173 E175E164-T171 HydrophobicContact CB-CG2 3.89Å; E164-T171 VanDerWaalsContact CD-CG2 3.47Å; E164-T171 HydrophobicContact CG-CG2 3.76Å; P168-T171 PolarHBondContact O-OG1 2.87Å; T171-M173 VanDerWaalsContact C-N 3.25Å; T171-M173 PolarHBondContact O-N 2.8Å; T171-E175 PolarHBondContact O-N 3.03Å
172P52.7Low63.5Low62 Ų6284.6 Ų84.640%0.40343%0.428SS..Hα-helixtrans-70.7-15.6-177.830.1-38.7000114K176P172-K176 VanDerWaalsContact O-CB 3.31Å; P172-K176 WeakPolarHBondContact O-CB 3.42Å; P172-K176 WeakPolarHBondContact O-CD 3.48Å; P172-K176 WeakPolarHBondContact O-CE 3.28Å; P172-K176 WeakPolarHBondContact O-CG 3.4Å
173M52.5Low63.6Low54 Ų5492.5 Ų92.527%0.26645%0.454SS..Hα-helixtrans-89.5-39.5-179.3-171.7171.857.500111.8M170 T171 T177M170-M173 PolarHBondContact O-N 3.38Å; M170-M173 HydrophobicContact SD-CE 4.13Å; T171-M173 VanDerWaalsContact C-N 3.25Å; T171-M173 PolarHBondContact O-N 2.8Å; M173-T177 PolarHBondContact O-N 3.4Å; M173-T177 VanDerWaalsContact O-N 3.09Å; M173-T177 PolarHBondContact O-OG1 2.91Å
174I59Low63.6Low32 Ų3295.1 Ų95.116%0.16447%0.471CS..Hα-helixtrans-63.8-52.8177.6-63173.4000109.8M170 K176 T177 Y178 F195M170-I174 HydrophobicContact CB-CD1 4.3Å; M170-I174 PolarHBondContact O-N 3.09Å; I174-K176 PolarHBondContact O-N 2.71Å; I174-T177 PolarHBondContact O-N 2.96Å; I174-T177 VanDerWaalsContact O-N 3.1Å; I174-Y178 PolarHBondContact O-N 3.41Å; I174-F195 HydrophobicContact CG2-CD2 4.3Å; I174-F195 HydrophobicContact CG2-CE2 3.38Å; I174-F195 HydrophobicContact CG2-CZ 3.78Å
175E67Low63.5Low102 Ų10295.7 Ų95.748%0.47749%0.489SS..Hα-helixtrans-65-41.1-176.9-157.7-136.7-159.400112.3T171 T177 Y178 K179T171-E175 PolarHBondContact O-N 3.03Å; E175-T177 VanDerWaalsContact C-N 3.3Å; E175-T177 PolarHBondContact O-N 3.14Å; E175-Y178 PolarHBondContact O-N 3.45Å; E175-K179 HydrophobicContact CG-CD 4.39Å; E175-K179 WeakPolarHBondContact O-CB 3.39Å; E175-K179 WeakPolarHBondContact O-CG 3.49Å; E175-K179 PolarHBondContact O-N 3.35Å; E175-K179 WeakPolarHBondContact OE1-CE 3.38Å; E175-K179 IonicContact OE1-NZ 2.66Å; E175-K179 PolarHBondContact OE1-NZ 3.02Å; E175-K179 VanDerWaalsContact OE2-CE 3.27Å; E175-K179 WeakPolarHBondContact OE2-CE 3.21Å; E175-K179 IonicContact OE2-NZ 3.29Å; E175-K179 PolarHBondContact OE2-NZ 2.91Å
176K70.8Confident63.8Low139 Ų13993.5 Ų93.560%0.60448%0.477SS*.Hα-helixtrans-60.2-37.9173.1-76.4175.1-159.8168.50112P172 I174 R180P172-K176 VanDerWaalsContact O-CB 3.31Å; P172-K176 WeakPolarHBondContact O-CB 3.42Å; P172-K176 WeakPolarHBondContact O-CD 3.48Å; P172-K176 WeakPolarHBondContact O-CE 3.28Å; P172-K176 WeakPolarHBondContact O-CG 3.4Å; I174-K176 PolarHBondContact O-N 2.71Å; K176-R180 WeakPolarHBondContact O-CB 3.4Å; K176-R180 PolarHBondContact O-N 2.9Å
177T67.6Low64.1Low45 Ų4589.6 Ų89.628%0.27647%0.466SS..Hα-helixtrans-73.7-40.3-179.2-50.50000111.8M173 I174 E175 R180 A181 Q198M173-T177 PolarHBondContact O-N 3.4Å; M173-T177 VanDerWaalsContact O-N 3.09Å; M173-T177 PolarHBondContact O-OG1 2.91Å; I174-T177 PolarHBondContact O-N 2.96Å; I174-T177 VanDerWaalsContact O-N 3.1Å; E175-T177 VanDerWaalsContact C-N 3.3Å; E175-T177 PolarHBondContact O-N 3.14Å; T177-R180 PolarHBondContact O-N 2.86Å; T177-A181 WeakPolarHBondContact O-CB 3.27Å; T177-A181 PolarHBondContact O-N 3.02Å; T177-Q198 PolarHBondContact OG1-NE2 3.42Å
178Y67.1Low65Low99 Ų9992.2 Ų92.239%0.38847%0.474SS..Hα-helixtrans-62.9-44.1172.2-169.3-83000111.8I174 E175 R180 A181 R182 R191 F195I174-Y178 PolarHBondContact O-N 3.41Å; E175-Y178 PolarHBondContact O-N 3.45Å; Y178-R180 VanDerWaalsContact C-N 3.35Å; Y178-R180 PolarHBondContact O-N 3.1Å; Y178-A181 PolarHBondContact O-N 2.91Å; Y178-R182 WeakPolarHBondContact O-CB 3.46Å; Y178-R182 PolarHBondContact O-N 2.88Å; Y178-R191 HydrophobicContact CE2-CB 4.28Å; Y178-F195 HydrophobicContact CD2-CD2 4.48Å
179K76.1Confident65.8Low104 Ų10494.6 Ų94.645%0.45248%0.48SS..Hα-helixtrans-59.9-40.9174-76.5175.2175.3170.20111.9E175 R182 R183E175-K179 HydrophobicContact CG-CD 4.39Å; E175-K179 WeakPolarHBondContact O-CB 3.39Å; E175-K179 WeakPolarHBondContact O-CG 3.49Å; E175-K179 PolarHBondContact O-N 3.35Å; E175-K179 WeakPolarHBondContact OE1-CE 3.38Å; E175-K179 IonicContact OE1-NZ 2.66Å; E175-K179 PolarHBondContact OE1-NZ 3.02Å; E175-K179 VanDerWaalsContact OE2-CE 3.27Å; E175-K179 WeakPolarHBondContact OE2-CE 3.21Å; E175-K179 IonicContact OE2-NZ 3.29Å; E175-K179 PolarHBondContact OE2-NZ 2.91Å; K179-R182 PolarHBondContact O-N 3.4Å; K179-R183 WeakPolarHBondContact O-CG 3.37Å; K179-R183 PolarHBondContact O-N 3.29Å
180R73.2Confident66.9Low185 Ų18597.9 Ų97.970%0.69848%0.476SS*.Hα-helixtrans-63.1-49.9173.9-175.7-179.4-76.4-166.1-4.1111.5K176 T177 Y178 R182 R183 C184K176-R180 WeakPolarHBondContact O-CB 3.4Å; K176-R180 PolarHBondContact O-N 2.9Å; T177-R180 PolarHBondContact O-N 2.86Å; Y178-R180 VanDerWaalsContact C-N 3.35Å; Y178-R180 PolarHBondContact O-N 3.1Å; R180-R182 VanDerWaalsContact C-N 3.25Å; R180-R182 PolarHBondContact O-N 3.02Å; R180-R183 PolarHBondContact O-N 2.96Å; R180-C184 PolarHBondContact O-N 3.21Å; R180-C184 PolarHBondContact O-SG 3.16Å; R180-C184 VanDerWaalsContact O-SG 3.36Å
181A69.9Low67.5Low15 Ų1597.4 Ų97.412%0.12447%0.471CS..Hα-helixtrans-62.2-30.3178.600000113.2T177 Y178 M186 R191T177-A181 WeakPolarHBondContact O-CB 3.27Å; T177-A181 PolarHBondContact O-N 3.02Å; Y178-A181 PolarHBondContact O-N 2.91Å; A181-M186 HydrophobicContact CB-SD 3.8Å; A181-M186 WeakPolarHBondContact O-CB 3.09Å; A181-M186 PolarHBondContact O-N 3.09Å; A181-R191 HydrophobicContact CB-CG 4.08Å
182R74.7Confident68.6Low171 Ų17198.3 Ų98.365%0.64548%0.476SS*.Hα-helixtrans-70.8-40.2170.9-173.5172.5-178.1166.80.7112.5Y178 K179 R180 G185Y178-R182 WeakPolarHBondContact O-CB 3.46Å; Y178-R182 PolarHBondContact O-N 2.88Å; K179-R182 PolarHBondContact O-N 3.4Å; R180-R182 VanDerWaalsContact C-N 3.25Å; R180-R182 PolarHBondContact O-N 3.02Å; R182-G185 PolarHBondContact O-N 3.01Å
183R77.3Confident69.3Low222 Ų222100.5 Ų100.584%0.83848%0.48SS*.Hα-helixtrans-66.6-39.9175.1-73.3178-179.5-1700.1112.4K179 R180 G185K179-R183 WeakPolarHBondContact O-CG 3.37Å; K179-R183 PolarHBondContact O-N 3.29Å; R180-R183 PolarHBondContact O-N 2.96Å; R183-G185 PolarHBondContact O-N 2.83Å; R183-G185 VanDerWaalsContact O-N 3.08Å
184C72.8Confident69.7Low92 Ų9299.6 Ų99.662%0.62248%0.484SS*.THydrogen-bonded Turntrans-77.218.9178-58.50000114.4R180 M186R180-C184 PolarHBondContact O-N 3.21Å; R180-C184 PolarHBondContact O-SG 3.16Å; R180-C184 VanDerWaalsContact O-SG 3.36Å; C184-M186 PolarHBondContact O-N 3.34Å
185G64.1Low69.6Low60 Ų60100.8 Ų100.862%0.61949%0.488SS*.THydrogen-bonded Turntrans65.97.2173.300000116.6R182 R183R182-G185 PolarHBondContact O-N 3.01Å; R183-G185 PolarHBondContact O-N 2.83Å; R183-G185 VanDerWaalsContact O-N 3.08Å
186M76.8Confident69.3Low72 Ų7299.9 Ų99.936%0.35549%0.486SS..  trans-60.3135.5-174.8-61.1-178.176.100111A181 C184 K190 R191A181-M186 HydrophobicContact CB-SD 3.8Å; A181-M186 WeakPolarHBondContact O-CB 3.09Å; A181-M186 PolarHBondContact O-N 3.09Å; C184-M186 PolarHBondContact O-N 3.34Å; M186-K190 HydrophobicContact CE-CB 4.11Å; M186-R191 HydrophobicContact CB-CG 4.06Å; M186-R191 PolarHBondContact O-NE 3.47Å; M186-R191 PolarHBondContact O-NH2 3.05Å
187P71Confident68.8Low80 Ų8098.9 Ų98.952%0.51948%0.482SS..  trans-58.2148.3174-25.934.5000112.5L189 K190 R191P187-L189 VanDerWaalsContact C-N 3.28Å; P187-L189 PolarHBondContact O-N 3.37Å; P187-L189 VanDerWaalsContact O-N 3.16Å; P187-K190 WeakPolarHBondContact O-CA 3.35Å; P187-K190 PolarHBondContact O-N 3.39Å; P187-R191 PolarHBondContact O-N 2.87Å
188K71.3Confident68.1Low124 Ų12499.4 Ų99.454%0.53948%0.481SS..Hα-helixtrans-46.2-50-178.3-71.1-176.4-179.9178.40112.1K190 R191 T192 D487K188-K190 VanDerWaalsContact C-N 3.33Å; K188-K190 PolarHBondContact O-N 2.9Å; K188-R191 WeakPolarHBondContact O-CA 3.47Å; K188-R191 WeakPolarHBondContact O-CB 3.37Å; K188-R191 PolarHBondContact O-N 3.21Å; K188-T192 PolarHBondContact O-N 2.98Å; K188-T192 PolarHBondContact O-OG1 3.47Å; K188-D487 IonicContact NZ-OD2 3.51Å; K188-D487 PolarHBondContact NZ-OD2 3.4Å
189L67.7Low67.1Low151 Ų15196.8 Ų96.879%0.79148%0.476SS*.Hα-helixtrans-57.6-38.7178.5-154.884.2000113.7P187 K193P187-L189 VanDerWaalsContact C-N 3.28Å; P187-L189 PolarHBondContact O-N 3.37Å; P187-L189 VanDerWaalsContact O-N 3.16Å; L189-K193 WeakPolarHBondContact O-CB 3.44Å; L189-K193 PolarHBondContact O-N 2.84Å
190K71.1Confident65.5Low136 Ų13696.7 Ų96.759%0.59148%0.479SS*.Hα-helixtrans-73.4-28.8175.8-69.2-163.8179.3-176.40112.2M186 P187 K188 G194M186-K190 HydrophobicContact CE-CB 4.11Å; P187-K190 WeakPolarHBondContact O-CA 3.35Å; P187-K190 PolarHBondContact O-N 3.39Å; K188-K190 VanDerWaalsContact C-N 3.33Å; K188-K190 PolarHBondContact O-N 2.9Å; K190-G194 PolarHBondContact O-N 2.99Å
191R67.4Low64Low41 Ų4191.5 Ų91.516%0.15547%0.472CS..Hα-helixtrans-65.6-50.7171.9-57-177.3-163.3151.88.4110.5Y178 A181 M186 P187 K188 K193 G194 F195Y178-R191 HydrophobicContact CE2-CB 4.28Å; A181-R191 HydrophobicContact CB-CG 4.08Å; M186-R191 HydrophobicContact CB-CG 4.06Å; M186-R191 PolarHBondContact O-NE 3.47Å; M186-R191 PolarHBondContact O-NH2 3.05Å; P187-R191 PolarHBondContact O-N 2.87Å; K188-R191 WeakPolarHBondContact O-CA 3.47Å; K188-R191 WeakPolarHBondContact O-CB 3.37Å; K188-R191 PolarHBondContact O-N 3.21Å; R191-K193 PolarHBondContact O-N 2.86Å; R191-G194 PolarHBondContact O-N 3.4Å; R191-F195 WeakPolarHBondContact O-CB 3.46Å; R191-F195 PolarHBondContact O-N 2.62Å
192T69.4Low62.6Low78 Ų7892.5 Ų92.548%0.47947%0.474SS..Hα-helixtrans-63.1-41.7179.5-45.20000112K188 G194 F195 L196K188-T192 PolarHBondContact O-N 2.98Å; K188-T192 PolarHBondContact O-OG1 3.47Å; T192-G194 VanDerWaalsContact C-N 3.33Å; T192-G194 PolarHBondContact O-N 3.31Å; T192-F195 WeakPolarHBondContact O-CB 3.49Å; T192-F195 PolarHBondContact O-N 3.43Å; T192-L196 HydrophobicContact CG2-CD1 4.28Å; T192-L196 WeakPolarHBondContact O-CG 3.42Å; T192-L196 PolarHBondContact O-N 2.85Å
193K69.2Low60.8Low108 Ų10888.2 Ų88.247%0.4747%0.467SS..Hα-helixtrans-69.1-29176-167.1159.6-170.3160.90113.4L189 R191 K197 H1129L189-K193 WeakPolarHBondContact O-CB 3.44Å; L189-K193 PolarHBondContact O-N 2.84Å; R191-K193 PolarHBondContact O-N 2.86Å; K193-K197 PolarHBondContact O-N 3.45Å; K193-H1129 PolarHBondContact NZ-NE2 3.41Å
194G59.4Low58.8Low35 Ų3582.4 Ų82.436%0.36146%0.46SS..Hα-helixtrans-69.8-46170.300000112.4K190 R191 T192 K197 Q198K190-G194 PolarHBondContact O-N 2.99Å; R191-G194 PolarHBondContact O-N 3.4Å; T192-G194 VanDerWaalsContact C-N 3.33Å; T192-G194 PolarHBondContact O-N 3.31Å; G194-K197 PolarHBondContact O-N 2.66Å; G194-Q198 WeakPolarHBondContact O-CB 3.44Å; G194-Q198 PolarHBondContact O-N 2.92Å
195F56.6Low56.7Low57 Ų5780.7 Ų80.725%0.2545%0.447CS..Hα-helixtrans-56-55.3175.6-172.3-78.9000110.8I174 Y178 R191 T192 K197 Q198 T199I174-F195 HydrophobicContact CG2-CD2 4.3Å; I174-F195 HydrophobicContact CG2-CE2 3.38Å; I174-F195 HydrophobicContact CG2-CZ 3.78Å; Y178-F195 HydrophobicContact CD2-CD2 4.48Å; R191-F195 WeakPolarHBondContact O-CB 3.46Å; R191-F195 PolarHBondContact O-N 2.62Å; T192-F195 WeakPolarHBondContact O-CB 3.49Å; T192-F195 PolarHBondContact O-N 3.43Å; F195-K197 VanDerWaalsContact C-N 3.33Å; F195-K197 PolarHBondContact O-N 3.33Å; F195-Q198 CarbonylContact O-C 3.56Å; F195-Q198 WeakPolarHBondContact O-CA 3.36Å; F195-Q198 WeakPolarHBondContact O-CB 3.4Å; F195-Q198 PolarHBondContact O-N 3.27Å; F195-T199 PolarHBondContact O-N 3.03Å; F195-T199 PolarHBondContact O-OG1 3.37Å
196L60.7Low55.1Low83 Ų8382.3 Ų82.344%0.43545%0.445SS..Hα-helixtrans-56-43.7178.2-75.4165.5000112.7T192 Q198 T199 L200T192-L196 HydrophobicContact CG2-CD1 4.28Å; T192-L196 WeakPolarHBondContact O-CG 3.42Å; T192-L196 PolarHBondContact O-N 2.85Å; L196-Q198 VanDerWaalsContact C-N 3.28Å; L196-Q198 PolarHBondContact O-N 3.32Å; L196-T199 PolarHBondContact O-N 2.86Å; L196-L200 HydrophobicContact CD2-CD1 4.49Å; L196-L200 WeakPolarHBondContact O-CD1 3.15Å; L196-L200 PolarHBondContact O-N 3.47Å
197K60.2Low52.8Low118 Ų11885.1 Ų85.151%0.51346%0.461SS..Hα-helixtrans-61.3-36.1174.4-89.9-154.9168.4-157.80112.8K193 G194 F195 S201K193-K197 PolarHBondContact O-N 3.45Å; G194-K197 PolarHBondContact O-N 2.66Å; F195-K197 VanDerWaalsContact C-N 3.33Å; F195-K197 PolarHBondContact O-N 3.33Å; K197-S201 WeakPolarHBondContact O-CB 3.21Å; K197-S201 PolarHBondContact O-N 3.25Å; K197-S201 PolarHBondContact O-OG 3.32Å
198Q54.3Low51Low56 Ų5688.6 Ų88.626%0.26248%0.476SS..Hα-helixtrans-78.7-30.1-179.3-164.1175.79.300112.5T177 G194 F195 L196 S201 Q202T177-Q198 PolarHBondContact OG1-NE2 3.42Å; G194-Q198 WeakPolarHBondContact O-CB 3.44Å; G194-Q198 PolarHBondContact O-N 2.92Å; F195-Q198 CarbonylContact O-C 3.56Å; F195-Q198 WeakPolarHBondContact O-CA 3.36Å; F195-Q198 WeakPolarHBondContact O-CB 3.4Å; F195-Q198 PolarHBondContact O-N 3.27Å; L196-Q198 VanDerWaalsContact C-N 3.28Å; L196-Q198 PolarHBondContact O-N 3.32Å; Q198-S201 PolarHBondContact O-OG 2.94Å; Q198-Q202 WeakPolarHBondContact O-CG 3.4Å
199T44.9Very low49.2Very low45 Ų4590.6 Ų90.628%0.27649%0.491SS..Hα-helixtrans-72.3-54.6173.6-48.30000111.1F195 L196 S201 Q202 T203F195-T199 PolarHBondContact O-N 3.03Å; F195-T199 PolarHBondContact O-OG1 3.37Å; L196-T199 PolarHBondContact O-N 2.86Å; T199-S201 PolarHBondContact O-N 2.94Å; T199-Q202 PolarHBondContact O-N 2.95Å; T199-T203 HydrophobicContact CG2-CG2 4.07Å; T199-T203 PolarHBondContact O-N 3.04Å; T199-T203 PolarHBondContact O-OG1 3.5Å
200L43.9Very low47.5Very low101 Ų10188.2 Ų88.253%0.52948%0.479SS..Hα-helixtrans-60.3-31.9-179.8-87.587.8000113L196 Q202L196-L200 HydrophobicContact CD2-CD1 4.49Å; L196-L200 WeakPolarHBondContact O-CD1 3.15Å; L196-L200 PolarHBondContact O-N 3.47Å; L200-Q202 PolarHBondContact O-N 3.21Å
201S41.9Very low45.8Very low76 Ų7693 Ų9353%0.53149%0.493SS..Hα-helixtrans-819176.357.40000114.5K197 Q198 T199K197-S201 WeakPolarHBondContact O-CB 3.21Å; K197-S201 PolarHBondContact O-N 3.25Å; K197-S201 PolarHBondContact O-OG 3.32Å; Q198-S201 PolarHBondContact O-OG 2.94Å; T199-S201 PolarHBondContact O-N 2.94Å
202Q39.6Very low44.3Very low36 Ų36100.1 Ų100.117%0.16853%0.528CS..Hα-helixtrans-131.3-30.7178-67.7175.219.100112.7M170 Q198 T199 L200 S204 T205M170-Q202 HydrophobicContact CE-CB 3.95Å; Q198-Q202 WeakPolarHBondContact O-CG 3.4Å; T199-Q202 PolarHBondContact O-N 2.95Å; L200-Q202 PolarHBondContact O-N 3.21Å; Q202-S204 PolarHBondContact O-N 3.32Å; Q202-T205 PolarHBondContact O-N 2.98Å; Q202-T205 PolarHBondContact O-OG1 3.04Å; Q202-T205 VanDerWaalsContact O-OG1 3.05Å
203T37.6Very low42.9Very low82 Ų82107.7 Ų107.750%0.50355%0.548SS..Hα-helixtrans-69.4-12.9168.355.80000113.5T199 T205T199-T203 HydrophobicContact CG2-CG2 4.07Å; T199-T203 PolarHBondContact O-N 3.04Å; T199-T203 PolarHBondContact O-OG1 3.5Å; T203-T205 VanDerWaalsContact C-N 3.32Å
204S34.7Very low41.2Very low99 Ų99111.5 Ų111.569%0.69256%0.559SS**THydrogen-bonded Turntrans-87.25.8176-174.90000113.6Q202Q202-S204 PolarHBondContact O-N 3.32Å
205T29.6Very low40.2Very low57 Ų57118.3 Ų118.335%0.3558%0.581SS.*  trans-14257.1-166.547.50000113.6Q202 T203 L210Q202-T205 PolarHBondContact O-N 2.98Å; Q202-T205 PolarHBondContact O-OG1 3.04Å; Q202-T205 VanDerWaalsContact O-OG1 3.05Å; T203-T205 VanDerWaalsContact C-N 3.32Å; T205-L210 HydrophobicContact CG2-CD1 4.44Å; T205-L210 WeakPolarHBondContact OG1-CD1 3.38Å
206T30.6Very low39.2Very low93 Ų93124.5 Ų124.557%0.57161%0.61SS**  trans-125.4105.8157.747.80000105.2
207N28.4Very low38Very low132 Ų132128.4 Ų128.471%0.70663%0.631SS**SBendcis-124.5174.637.1-60.5-39.3000116.3L209N207-L209 PolarHBondContact O-N 3.45Å
208D31.9Very low36.7Very low153 Ų153131.5 Ų131.582%0.81865%0.647SS**SBendtrans58.9-35.6161.6-58.6-44.4000122.9L210D208-L210 VanDerWaalsContact C-N 3.34Å; D208-L210 PolarHBondContact O-N 3.27Å; D208-L210 VanDerWaalsContact O-N 3.1Å
209L33.5Very low35.9Very low166 Ų166137.4 Ų137.487%0.86967%0.674SS**THydrogen-bonded Turntrans-78.22.7-165.2-86169.4000118N207N207-L209 PolarHBondContact O-N 3.45Å
210L33.2Very low35.4Very low101 Ų101143.3 Ų143.353%0.52970%0.698SS.*THydrogen-bonded Turntrans-103.8-0.4-171.2-97.5171.7000117.5T205 D208 H212T205-L210 HydrophobicContact CG2-CD1 4.44Å; T205-L210 WeakPolarHBondContact OG1-CD1 3.38Å; D208-L210 VanDerWaalsContact C-N 3.34Å; D208-L210 PolarHBondContact O-N 3.27Å; D208-L210 VanDerWaalsContact O-N 3.1Å; L210-H212 PolarHBondContact O-N 3.27Å
211R33.8Very low34.8Very low235 Ų235146.5 Ų146.589%0.88771%0.71SS**THydrogen-bonded Turntrans-80.7-2.8-178.5-78.1-167.9175.1-151.51.7116.4
212H38Very low34.4Very low191 Ų191150.4 Ų150.488%0.88473%0.725SS**THydrogen-bonded Turntrans-1149.3-171.6-88.6-1.5000117.6L210L210-H212 PolarHBondContact O-N 3.27Å
213R38.1Very low33.9Very low238 Ų238156.9 Ų156.990%0.89876%0.755SS**SBendtrans-125.222.4-178-86.8-175172.2167.3-0117.1
214R35Very low33.6Very low188 Ų188158.5 Ų158.571%0.70977%0.769SS**SBendtrans-132.912.9179.6-71.1-169.6179.1171.94.1117.3
215H37.4Very low33.4Very low178 Ų178161.2 Ų161.282%0.82477%0.771SS**SBendtrans-1115-179.8-94.2-78.1000116.5
216H36.8Very low33.4Very low186 Ų186169 Ų16986%0.86180%0.795SS**SBendtrans-12776177.3-81.9-8.7000112.1
217L34.8Very low33.4Very low165 Ų165171.7 Ų171.786%0.86480%0.801SS**SBendtrans-166.940.4161.8-114.4156.9000114.5
218H33.7Very low33.5Very low184 Ų184174.4 Ų174.485%0.85281%0.807SS**  trans-160.280.1166.1-99.5-64.1000112.4
219H36.1Very low33.4Very low180 Ų180172.3 Ų172.383%0.83380%0.796SS**  trans-169.8111149.2-92-66.6000105.3
220H34.4Very low33.3Very low169 Ų169170.1 Ų170.178%0.78279%0.785SS**  69.5117.788.7-86.7-78.1000115.4
221H31.7Very low33.2Very low168 Ų168170.9 Ų170.978%0.77879%0.788SS**  trans-32.7137.1160.5-57.1-64.2000114.9
222N32.9Very low33Very low157 Ų157167.1 Ų167.184%0.8478%0.781SS**  -168.7153.692.8-94.6-27.3000112
223H29.2Very low32.7Very low173 Ų173166.3 Ų166.380%0.80178%0.777SS**  trans-80.9143.7168.1-77.8-98.5000110.6
224S32.2Very low32.7Very low115 Ų115162.8 Ų162.880%0.80477%0.771SS**  trans-156128.8146.4-94.20000109.3
225H30Very low32.7Very low156 Ų156159.4 Ų159.472%0.72277%0.773SS**  trans-79.1139.8170.6-76.3-102.5000110
226Y29.7Very low32.4Very low220 Ų220154.7 Ų154.786%0.86376%0.764SS**  trans-134.9120147.9-93.8-80.9000109.5
227H29.9Very low32.1Very low150 Ų150152 Ų15269%0.69476%0.756SS**  trans-73.6148.9166.4-85.9-88.8000109.7
228F30.4Very low31.8Very low189 Ų189152 Ų15283%0.82975%0.749SS**  trans-134.6127145.7-105.7-82000110.9
229N31.2Very low31.8Very low110 Ų110148.5 Ų148.559%0.58874%0.737SS**  trans-87.6167.7171.1-75.5-31.9000110.5
230N31.5Very low31.5Very low120 Ų120149 Ų14964%0.64273%0.732SS**  trans145.2115.1165.6-76.2-4.8000106.6R1203N230-R1203 PolarHBondContact O-NH1 2.91Å; N230-R1203 PolarHBondContact O-NH2 3.36Å
231I30.5Very low31.4Very low116 Ų116148.2 Ų148.260%0.59573%0.729SS**  cis73.111715.9-49.5179000114.2
232H30.1Very low31.4Very low157 Ų157144.3 Ų144.373%0.72772%0.719SS**  trans66.5156.9167-66.1-25.1000117.7
233Q32.1Very low31.4Very low173 Ų173142.9 Ų142.981%0.80871%0.707SS**  cis-143.1166.213-142.5140.42200113.7
234H36.2Very low31.6Very low165 Ų165143.6 Ų143.676%0.76470%0.704SS**  trans-79.4173.2168-67.7-100.2000110.9
235P35.3Very low31.7Very low117 Ų117143.9 Ų143.976%0.7670%0.696SS**  -129.1156.784.541.2-31.9000111.7
236A31.9Very low31.9Very low78 Ų78141.3 Ų141.365%0.64569%0.692SS**  cis72.3148.930.300000112.3
237L29.7Very low32.2Very low129 Ų129136.9 Ų136.968%0.67568%0.683SS**  cis-132.6167.58.5-51.7103.6000109.7
238F29.7Very low32.5Very low167 Ų167136.4 Ų136.473%0.73268%0.681SS**  146.7159.694.6-88.6-42.4000106.1
239D32.6Very low32.8Very low110 Ų110133.5 Ų133.559%0.58867%0.673SS**  cis-157.9154.63.9-113.3-25.3000110.9
240Y30.7Very low32.9Very low189 Ų189132.7 Ų132.774%0.74168%0.675SS**  trans61147.8146.6-78.7-127.1000119.9
241E31.2Very low32.8Very low153 Ų153132.1 Ų132.172%0.71568%0.681SS**  cis-150.3-169.6-11.9-130.3-160.9130.200109.6
242P33.4Very low33Very low87 Ų87131.6 Ų131.657%0.56569%0.685SS**  trans-113.3-176.1-145.131.1-7.6000113.8
243H32.4Very low33.2Very low127 Ų127130.9 Ų130.959%0.58869%0.685SS**  159.1144.4113.8-98.9-66.8000115.2
244Y32Very low33Very low187 Ų187130.6 Ų130.673%0.73368%0.684SS**  trans62.8140.2156.4-56.5-51.4000118.2
245D34.4Very low32.9Very low121 Ų121129.7 Ų129.765%0.64768%0.684SS**  cis-153168.4-0.2-136.8-50.2000113.8
246T34.2Very low32.8Very low103 Ų103129.3 Ų129.363%0.63268%0.683SS**  trans4.5140.7154.438.10000119.3
247N36.3Very low33.1Very low127 Ų127131.4 Ų131.468%0.67969%0.691SS**  cis-163.4-175.620.9-122.4-34.5000109.5
248H37Very low33Very low140 Ų140131.3 Ų131.365%0.64869%0.691SS**  cis-160.2173.313-138.49.3000112.5
249I35.7Very low33Very low128 Ų128133.2 Ų133.266%0.65669%0.693SS**  trans17.5136.5143-66.4174.2000120.2
250S33.9Very low32.9Very low92 Ų92133.6 Ų133.664%0.64370%0.695SS**  cis-172.1129.3-13.9-94.40000112.9
251S29.6Very low33.1Very low109 Ų109133.2 Ų133.276%0.76270%0.697SS**  trans70.8177.1134.488.10000118.2
252P34.3Very low33.2Very low104 Ų104131.6 Ų131.668%0.67569%0.694SS**  -136.6-143.5-114.135-8.9000113
253I33.8Very low33Very low143 Ų143132.7 Ų132.773%0.73370%0.699SS**  trans83.6110169.6-55.3161.6000112.7
254H28.6Very low33.1Very low167 Ų167135.8 Ų135.877%0.77371%0.711SS**  cis85.3155.239.2-162.9-87.9000113.2
255L34Very low33Very low146 Ų146131.3 Ų131.376%0.76471%0.707SS**  trans80.8116.1-179.5-53.3174.3000117.9
256S33.8Very low32.8Very low108 Ų108133.4 Ų133.476%0.75571%0.714SS**  trans-73.2156.1161.3-370000111.6
257P37.4Very low32.5Very low123 Ų123133.6 Ų133.680%0.79972%0.715SS**  -123.8126.3118.833.4-27.1000109.2
258N27.9Very low32.1Very low127 Ų127133.7 Ų133.768%0.67972%0.716SS**  cis58.3137.835.4-16113.5000113.4
259R30.3Very low31.6Very low207 Ų207132.1 Ų132.178%0.78172%0.716SS**  trans69.6148.4177.9-56.3-164157.5140.71.3116
260D30Very low31Very low117 Ų117130.9 Ų130.963%0.62672%0.715SS**  cis-165-168.7-21.6-99.2-28.3000104.9
261K35.2Very low30.6Very low182 Ų182133.3 Ų133.379%0.79172%0.719SS**  trans84.5138.3152.5-52.7-164.4173.3-167.40117.2
262D32Very low30.5Very low119 Ų119133.4 Ų133.464%0.63672%0.715SS**  cis-150155.5-13.7-121-40.4000114.4
263T30.7Very low30.3Very low110 Ų110135.1 Ų135.168%0.67572%0.719SS**  trans-10.412616352.10000118.8
264K33.8Very low30.3Very low192 Ų192131.3 Ų131.384%0.83572%0.715SS**  -159.5107.2109.1-99.9149.6-171175.50108.5
265S29.5Very low30.3Very low93 Ų93129.8 Ų129.865%0.6571%0.713SS**  66.6126.795.572.50000111.9
266M31.1Very low30.2Very low164 Ų164128.7 Ų128.781%0.80871%0.708SS**  cis-157.5145.323.1-133.2152.963.400106.9
267V28.4Very low30.1Very low108 Ų108131.5 Ų131.566%0.65571%0.706SS**  50.5107.960.7168.80000108.6
268N27.4Very low29.9Very low128 Ų128132.3 Ų132.368%0.68470%0.703SS**  cis-138.9161.626.1-97.7-35.6000109.9
269T25.9Very low30.1Very low107 Ų107130.9 Ų130.966%0.65670%0.703SS**  59.5117.860.1-22.80000110
270T23.5Very low30.2Very low103 Ų103125.5 Ų125.563%0.63270%0.697SS**  124.1164.598.2-5.90000107.4
271I25.6Very low30.4Very low142 Ų142127.5 Ų127.573%0.72871%0.706SS**  trans69.1130.8152.4-69.7157.2000113.4
272T28.3Very low30.3Very low111 Ų111127.2 Ų127.268%0.68171%0.708SS**  cis-143.1149.831.8-29.10000111.4
273D28.4Very low30.6Very low140 Ų140126.9 Ų126.975%0.74971%0.712SS**  trans4.5153.8145.4-41-20.8000120.1
274G33.7Very low30.7Very low64 Ų64128.1 Ų128.166%0.6672%0.715SS**  cis-144.3148.312.100000112.6
275N30.4Very low30.6Very low135 Ų135125 Ų12572%0.72271%0.707SS**  63.7120.379.1-94.2-29000114
276N31.1Very low30.8Very low123 Ų123127.8 Ų127.866%0.65871%0.714SS**  trans70.1145.7154.8-62.7-46.7000117.4
277K32.3Very low31.1Very low166 Ų166124.7 Ų124.772%0.72271%0.709SS**  cis-170.4167-16.1-122.5170.7-175.7179.60108.3
278L31.8Very low31.3Very low141 Ų141127.7 Ų127.774%0.73872%0.722SS**  trans64.6121.8155.9-94.264.4000115.7
279S31.7Very low31.7Very low96 Ų96125 Ų12567%0.67172%0.724SS**  64136.28588.70000113.5
280S33.2Very low32Very low95 Ų95126.4 Ų126.466%0.66473%0.733SS**  cis179.2-158.5-142.40000106.5
281I33.4Very low32.6Very low159 Ų159127 Ų12782%0.81574%0.741SS**  trans84.294.9160.3-58.8155.8000116.9
282Q34.3Very low32.8Very low175 Ų175128 Ų12882%0.81875%0.748SS**  trans-42.6-177.8144.4-80.3179.9-39.800115.8
283P37.6Very low33Very low113 Ų113132.3 Ų132.373%0.73476%0.757SS**  cis-138.1-165.2-37.337.9-19.4000112
284N33Very low33.3Very low136 Ų136132.8 Ų132.873%0.72776%0.755SS**  148.5156.3119.1-158.410.6000113.7
285N31.1Very low33.1Very low126 Ų126138.4 Ų138.467%0.67476%0.757SS**  trans-93.7157.1-163-46.7-83.7000114.1
286N34.4Very low33.1Very low151 Ų151139 Ų13981%0.80776%0.755SS**  174.4164.5103-96.6-47.5000117.2
287S36.5Very low33Very low100 Ų100141.9 Ų141.970%0.69976%0.764SS**  trans83.8106.5155.768.60000121.8
288N34Very low32.8Very low171 Ų171145.1 Ų145.191%0.91477%0.772SS**  43129.7129.5-56.9-1.3000122.2
289G34.9Very low32.8Very low72 Ų72143.1 Ų143.174%0.74277%0.77SS**  trans162.668.1163.500000117.4
290T33.4Very low32.5Very low135 Ų135149 Ų14983%0.82878%0.779SS**  trans20.8133.615850.70000122.6
291S34.6Very low32.4Very low116 Ų116153 Ų15381%0.81179%0.787SS**SBendtrans90.4110.7155.577.30000120.7
292N30.4Very low32.2Very low163 Ų163150.8 Ų150.887%0.87278%0.781SS**  trans36.977.9155.2-67.11.8000120.9
293K33.1Very low32.1Very low201 Ų201148.9 Ų148.987%0.87478%0.776SS**  trans-65.1148.5138.4-61.3178.3-176.1-1800109
294H34.2Very low31.7Very low151 Ų151149.4 Ų149.470%0.69977%0.773SS**  cis76.8111.67.8-132.921.3000117.7
295Y28.7Very low31.6Very low182 Ų182148.6 Ų148.671%0.71477%0.769SS**  trans87158.3155.3-79-58.9000123.9
296H31.7Very low31.7Very low147 Ų147148.5 Ų148.568%0.68177%0.773SS**  trans-53.6146.7-171.7-56-70.3000118
297H29.8Very low31.4Very low183 Ų183145.6 Ų145.685%0.84776%0.764SS**  -142.2142.8128.7-73.7-83.5000106
298R27.8Very low31.3Very low234 Ų234148.4 Ų148.488%0.88377%0.771SS**  cis58.989.14.7-148-175.9-149.7-109.55116.4
299S31.4Very low31.1Very low99 Ų99146.8 Ų146.869%0.69276%0.757SS**  -150.1142.3129.5-88.10000109.3
300Y25.9Very low31Very low221 Ų221150.6 Ų150.687%0.86776%0.756SS**  trans-112.7128162.3-94.5-95.2000106.2
301E31Very low30.9Very low177 Ų177152 Ų15283%0.82775%0.753SS**  trans-130.8109.8162.4-65.318017900104.4
302V29.2Very low30.8Very low114 Ų114151.6 Ų151.669%0.69175%0.746SS**  cis78133.546.6-177.90000111.6
303N30.8Very low30.8Very low135 Ų135150.1 Ų150.172%0.72274%0.738SS**  trans74.4140.3170.1-77.4-1.3000117.5
304N30.1Very low31Very low123 Ų123148.3 Ų148.366%0.65873%0.732SS**  cis-165.8-179.6-14.1-139.3-7.3000114.1
305N30.8Very low30.8Very low119 Ų119146.9 Ų146.964%0.63673%0.73SS**  trans87.2123.8146.6-69.4-8.7000121.3
306T32.4Very low31.1Very low125 Ų125144.4 Ų144.477%0.76773%0.729SS**  trans64142.3134.9570000121
307S28.4Very low31.2Very low90 Ų90143.1 Ų143.163%0.62973%0.731SS**  cis159166.1-27.448.20000107.8
308L34.2Very low31.4Very low159 Ų159141 Ų14183%0.83272%0.722SS**  trans77.1151.1171.9-52.9172000115.6
309H30.1Very low31.6Very low136 Ų136138.7 Ų138.763%0.6371%0.714SS**  cis-171.1148.3-35.8-146.7-122.9000108.2
310E33.1Very low31.7Very low153 Ų153142.6 Ų142.672%0.71571%0.714SS**  trans56.1170.7159.6-78.4157.6169.700118.6
311E31Very low32.1Very low164 Ų164137.2 Ų137.277%0.76670%0.7SS**  -158.7-169.9-53.4-135.9-176.5-147.500110.3
312T33.7Very low32.2Very low108 Ų108134.6 Ų134.666%0.66369%0.692SS**  trans66.9101.4159.848.80000122.3
313N30.5Very low32.4Very low131 Ų131137.2 Ų137.270%0.70170%0.696SS**  62.3157.4114.8-67.9-11.7000125
314H35.3Very low32.6Very low164 Ų164136.2 Ų136.276%0.75970%0.695SS**  trans80.3147.2162.3-56.6-60.1000118.1
315N31.5Very low32.8Very low121 Ų121136.4 Ų136.465%0.64770%0.703SS**  cis-167.7165.9-36.6-129.942.3000109.9
316D34.5Very low32.9Very low129 Ų129136.8 Ų136.869%0.6971%0.71SS**  trans65.6141.4148.3-66.2-39.9000123.6
317V34.3Very low33.1Very low120 Ų120136.1 Ų136.173%0.72771%0.708SS**  trans72.8135.4137.8158.50000119.6
318Q32.4Very low33.5Very low140 Ų140136.5 Ų136.565%0.65471%0.708SS**  cis-176169.9-14.7-144.2172.910.400111.5
319Y33.3Very low33.4Very low185 Ų185135.9 Ų135.973%0.72571%0.705SS**  trans62.1157.4165.7-70.1-88.3000121
320R33.3Very low33.4Very low180 Ų180136.6 Ų136.668%0.67971%0.708SS**  cis-178.1178-47.3-138.1-176168.5-102.7-0.8109.4D322R320-D322 IonicContact NH1-OD2 3.27Å; R320-D322 PolarHBondContact NH1-OD2 2.88Å
321D34.9Very low33.2Very low109 Ų109136.8 Ų136.858%0.58371%0.709SS**  trans73.8145.9146.1-62.4-7.4000121.9
322D31.7Very low33.2Very low122 Ų122137.8 Ų137.865%0.65271%0.713SS**  cis-166.3-167.7-34.1-130.7-29000109.2R320R320-D322 IonicContact NH1-OD2 3.27Å; R320-D322 PolarHBondContact NH1-OD2 2.88Å
323E34.5Very low32.8Very low168 Ų168139.6 Ų139.679%0.78572%0.719SS**  trans78108.3163.4-51-157.4148.900117.5
324T33.8Very low33Very low115 Ų115137.6 Ų137.671%0.70671%0.713SS**  80.114157.276.20000113.3
325P34.4Very low32.6Very low127 Ų127140.8 Ų140.883%0.82572%0.72SS**  -138.8162.453.237.9-17.6000120.1
326T33.3Very low32.2Very low126 Ų126139.9 Ų139.977%0.77372%0.722SS**  trans-89.9-165.4172.431.80000112
327P37.2Very low31.8Very low112 Ų112142.9 Ų142.973%0.72773%0.729SS**  cis-126.5-137.2-31.432.2-8.7000108.9
328P36.5Very low31.3Very low97 Ų97142.9 Ų142.963%0.6373%0.734SS**  cis-135.1159.1-22.338-20000117.8
329L32Very low31.1Very low147 Ų147142 Ų14277%0.7774%0.739SS**  trans50.3161.6135.4-59.5169.1000121.3
330H31Very low30.7Very low151 Ų151139.9 Ų139.970%0.69974%0.74SS**  cis-148173.88.3-131.6-63.9000110.9
331H29Very low30.5Very low156 Ų156138.6 Ų138.672%0.72275%0.746SS**  trans-76.5160.1175.8-51.8-14.4000114.4
332H29.4Very low30Very low186 Ų186137.9 Ų137.986%0.86175%0.749SS**  -172-179.6109.8-102.2-69.4000113
333N26.8Very low29.6Very low146 Ų146137.2 Ų137.278%0.78175%0.749SS**  trans-119.2-151.9-155.7-161.114.9000113
334P34Very low29.4Very low88 Ų88138.2 Ų138.257%0.57175%0.754SS**  -107.3167.2-120.237.6-23000115.5
335Y26.7Very low29Very low231 Ų231138.8 Ų138.891%0.90676%0.757SS**  trans-141.4137.4153.2-100.5-77.9000113
336C23.9Very low28.7Very low103 Ų103141.5 Ų141.570%0.69676%0.761SS**  trans-90143.8179.4-55.20000111.5
337F25.7Very low28.2Very low191 Ų191139.5 Ų139.584%0.83876%0.758SS**  trans-144.490.8149.5-88.1-64.5000111.9V339F337-V339 HydrophobicContact CB-CG2 4.47Å; F337-V339 HydrophobicContact CD1-CG2 3.76Å
338S22.9Very low27.8Very low120 Ų120140.3 Ų140.384%0.83976%0.76SS**  trans-91.6109.3154.154.40000108.1
339V28.8Very low27.2Very low123 Ų123140 Ų14075%0.74576%0.761SS**  trans-117.3129.2176.9-1780000109.6F337F337-V339 HydrophobicContact CB-CG2 4.47Å; F337-V339 HydrophobicContact CD1-CG2 3.76Å
340N24.4Very low27.1Very low140 Ų140140.6 Ų140.675%0.74977%0.765SS**  trans-117.8-175171.9-164.4-6000107.6
341L28.8Very low27Very low153 Ų153138.5 Ų138.580%0.80177%0.767SS**  trans75.3122.7-165.9-6267.9000111
342S24.4Very low27.2Very low93 Ų93136 Ų13665%0.6577%0.765SS**  cis85.6119.430.5-163.90000114.7
343T24.6Very low27Very low108 Ų108134.2 Ų134.266%0.66376%0.76SS**  trans51.2115.6150.649.60000118.9
344H30.2Very low27Very low189 Ų189133.4 Ų133.488%0.87576%0.756SS**  -158.214197-101.3-73000112.5
345T24.9Very low26.6Very low128 Ų128135.6 Ų135.679%0.78576%0.763SS**  trans-88.1144.3177.8-470000110.9
346M27.5Very low26.5Very low183 Ų183129.6 Ų129.690%0.90175%0.75SS**  trans-161.5148.3142.5-100.6-58.4-102.500109.3
347A24.6Very low26.7Very low85 Ų85131.6 Ų131.670%0.70275%0.753SS**  trans-149.4136.2-175.700000113.2
348T27.8Very low26.7Very low128 Ų128128.9 Ų128.979%0.78575%0.746SS**  trans-159.5113.5165.129.60000106
349S24.6Very low26.9Very low92 Ų92128.2 Ų128.264%0.64374%0.741SS**  62.7103.569.676.90000114.3
350N28.2Very low26.9Very low159 Ų159127.9 Ų127.985%0.8574%0.744SS**  176.2131115.8-82.8-13.5000112.5
351S29Very low27Very low106 Ų106125.9 Ų125.974%0.74174%0.741SS**  trans-96.3-167.7161.7630000108.5
352P33.9Very low26.9Very low105 Ų105129.6 Ų129.668%0.68275%0.745SS**  cis-132.2-146.9-9.327.6-2.1000111.7
353I26.3Very low27.1Very low147 Ų147128.5 Ų128.575%0.75474%0.737SS**  trans113.7117.6149.2-63.9160.5000118.6
354N25.6Very low27.5Very low130 Ų130130.3 Ų130.370%0.69574%0.738SS**  trans-37.5145.8161.7-45.5-23.8000114
355N25.3Very low27.6Very low134 Ų134127.6 Ų127.672%0.71773%0.725SS**  -167.8143.574.5-91-58.2000109.6
356T26Very low27.9Very low104 Ų104128.3 Ų128.364%0.63872%0.719SS**  58.110770.5-30.50000113.1
357L26.5Very low28Very low145 Ų145124.3 Ų124.376%0.75970%0.702SS**  156.6143.3122.9-82.8174.2000112.8
358I26.5Very low28.2Very low135 Ų135127.2 Ų127.269%0.69270%0.7SS**  trans57.399.1143.1-64.8167000115.9
359S26.6Very low28.2Very low106 Ų106125.9 Ų125.974%0.74170%0.696SS**  64.5108.570.3-56.70000114.7
360S28.6Very low28.3Very low115 Ų115126.2 Ų126.280%0.80470%0.698SS**  trans-179.6151.9147.8-93.60000111.2
361S27.5Very low28.2Very low98 Ų98126 Ų12669%0.68570%0.697SS**  cis-171.9178.3-15.1-1040000108.4
362R27Very low28.4Very low232 Ų232127.9 Ų127.988%0.87570%0.704SS**  trans77.5145.7163.6-71.2-168.7166.1-157.7-3.9118.1
363S27.6Very low28.1Very low69 Ų69126.6 Ų126.648%0.48370%0.702SS.*  cis-166.3167.1-19.742.90000112.2
364H34.1Very low28.4Very low147 Ų147127.5 Ų127.568%0.68171%0.707SS**  trans75.8141.5163.2-44-53.4000116
365H30.6Very low28.6Very low131 Ų131127.2 Ų127.261%0.60671%0.712SS**  cis-164.7152.1-23.3-118.2-52.4000109.3
366H31.4Very low28.8Very low143 Ų143130.4 Ų130.466%0.66272%0.72SS**  trans66.4150.3152.1-63.3-46.2000117.1
367N29.4Very low28.9Very low100 Ų100133.5 Ų133.554%0.53573%0.729SS.*  cis-153.8156.1-12.2-119.4-7.4000113.5
368H30.4Very low28.9Very low145 Ų145131.7 Ų131.767%0.67172%0.717SS**  trans53.3117.5145.2-63.4-30.4000120
369S28Very low29.1Very low101 Ų101135 Ų13571%0.70673%0.729SS**  82.4148.580.5-55.90000111.9
370S26.5Very low29.1Very low98 Ų98138.3 Ų138.369%0.68573%0.725SS**  cis-160.6163.386.90000111.5
371L25.3Very low29.1Very low156 Ų156143.9 Ų143.982%0.81773%0.73SS**  trans24.1121.2149.5-69.183.4000119.1
372T33.4Very low29.1Very low145 Ų145143.5 Ų143.589%0.8973%0.728SS**  174.8158.1109.131.40000110.5
373A28Very low29Very low77 Ų77139.8 Ų139.864%0.63672%0.72SS**  cis-165.4138.3-39.700000110.1
374L31.3Very low29Very low166 Ų166143 Ų14387%0.86973%0.727SS**  trans65.2162.6160-62.5166.7000118.5
375P29.8Very low28.8Very low124 Ų124142 Ų14281%0.80573%0.732SS**  cis-106.9154.9-12.311.410.6000113.4
376K30.1Very low28.6Very low201 Ų201141.5 Ų141.587%0.87473%0.733SS**  trans-94.8146.5160.3-64.8173.9176.8176.80108.9
377M27.5Very low28.6Very low170 Ų170144 Ų14484%0.83774%0.744SS**  trans-138.1110.2142.2-98.9178.6166.400106.2
378E28.1Very low28.6Very low107 Ų107143.6 Ų143.650%0.575%0.75SS.*  87.598.285-84.3-161.1124.100111.8R380E378-R380 HydrophobicContact CB-CG 4.41Å; E378-R380 VanDerWaalsContact CD-NE 3.27Å; E378-R380 PolarHBondContact O-N 3.03Å; E378-R380 IonicContact OE1-CZ 2.88Å; E378-R380 VanDerWaalsContact OE1-CZ 3.26Å; E378-R380 IonicContact OE1-NE 3.48Å; E378-R380 PolarHBondContact OE1-NE 3.38Å; E378-R380 IonicContact OE1-NH2 3.26Å; E378-R380 PolarHBondContact OE1-NH2 3.34Å; E378-R380 IonicContact OE2-CZ 3.14Å; E378-R380 IonicContact OE2-NE 2.76Å; E378-R380 PolarHBondContact OE2-NE 2.64Å; E378-R380 VanDerWaalsContact OE2-NE 3.14Å; E378-R380 IonicContact OE2-NH2 3.72Å
379H29.1Very low29Very low204 Ų204140.3 Ų140.394%0.94474%0.741SS**  trans-61.1120.6145-88.9-98.6000107.4
380R28Very low29.4Very low176 Ų176141.6 Ų141.666%0.66475%0.747SS**  trans-121.6120160.3-76.2-165.3179.2-143.9-2.9110.8E378 S382E378-R380 HydrophobicContact CB-CG 4.41Å; E378-R380 VanDerWaalsContact CD-NE 3.27Å; E378-R380 PolarHBondContact O-N 3.03Å; E378-R380 IonicContact OE1-CZ 2.88Å; E378-R380 VanDerWaalsContact OE1-CZ 3.26Å; E378-R380 IonicContact OE1-NE 3.48Å; E378-R380 PolarHBondContact OE1-NE 3.38Å; E378-R380 IonicContact OE1-NH2 3.26Å; E378-R380 PolarHBondContact OE1-NH2 3.34Å; E378-R380 IonicContact OE2-CZ 3.14Å; E378-R380 IonicContact OE2-NE 2.76Å; E378-R380 PolarHBondContact OE2-NE 2.64Å; E378-R380 VanDerWaalsContact OE2-NE 3.14Å; E378-R380 IonicContact OE2-NH2 3.72Å; R380-S382 PolarHBondContact O-N 3.08Å
381Y28.8Very low29.6Very low231 Ų231143.5 Ų143.591%0.90675%0.745SS**  trans-65.1119146-96.3-105.3000107.7
382S26.7Very low29.7Very low91 Ų91145.6 Ų145.664%0.63674%0.744SS**  trans-15796.6161.3-63.30000104.6R380R380-S382 PolarHBondContact O-N 3.08Å
383Q25.8Very low29.5Very low154 Ų154143.9 Ų143.972%0.7273%0.733SS**  72119.258-169.6178.4-18.500111.5
384E26.7Very low29.5Very low135 Ų135145.3 Ų145.363%0.63174%0.739SS**  trans59.9149.9-177.6-69.7131.2-132.200115.3I386E384-I386 HydrophobicContact CG-CD1 3.94Å
385T29.6Very low29.4Very low128 Ų128144.5 Ų144.579%0.78573%0.732SS**  cis-125.6117.72.8-20.20000106.5
386I27.2Very low29.4Very low119 Ų119146.5 Ų146.561%0.6173%0.733SS**  46.995.179.2-50.8171.9000112.1E384E384-I386 HydrophobicContact CG-CD1 3.94Å
387Q31.4Very low29.4Very low195 Ų195142.1 Ų142.191%0.91173%0.728SS**  -138.586.2126.1-162101.454.900107.3
388S28Very low29.6Very low92 Ų92139.5 Ų139.564%0.64372%0.723SS**  trans-83.3-162170.254.60000109.6
389P40.5Very low29.5Very low76 Ų76143 Ų14349%0.49474%0.737SS.*  -101.5-176.2-115.230-9.8000112.6E391P389-E391 HydrophobicContact CB-CB 4.07Å; P389-E391 HydrophobicContact CB-CG 3.98Å; P389-E391 HydrophobicContact CG-CB 3.89Å; P389-E391 HydrophobicContact CG-CG 3.65Å
390P35.8Very low29.4Very low129 Ų129139.9 Ų139.984%0.83873%0.727SS**  -121.9130.898.20.520.2000110.1
391E30Very low29.6Very low137 Ų137139.5 Ų139.564%0.6473%0.733SS**  cis41.4106.536.5-74.6-169.6173.500112.5P389P389-E391 HydrophobicContact CB-CB 4.07Å; P389-E391 HydrophobicContact CB-CG 3.98Å; P389-E391 HydrophobicContact CG-CB 3.89Å; P389-E391 HydrophobicContact CG-CG 3.65Å
392Y28.7Very low29.5Very low201 Ų201133.4 Ų133.479%0.78872%0.724SS**  -170.8128.7106.8-112.1-88.1000109.8
393T29Very low29.7Very low108 Ų108137 Ų13766%0.66373%0.734SS**  trans39.7118.9149.551.50000119.8
394S27.4Very low29.9Very low108 Ų108133 Ų13376%0.75573%0.734SS**  7616967.7-167.50000113.3
395M28.3Very low30.1Very low148 Ų148133.2 Ų133.273%0.72974%0.74SS**  trans79.1123.8176.5-51.4-61.8-80.600117.3
396M29.9Very low30.1Very low166 Ų166134.2 Ų134.282%0.81874%0.74SS**  trans76.195.2142.6-64.316667.900120.2
397S30.2Very low30.4Very low110 Ų110135.4 Ų135.477%0.76975%0.746SS**  -55.3172129.515.60000112.3
398P31.8Very low30.4Very low115 Ų115132 Ų13275%0.74774%0.739SS**  cis-128.5-160.3-21.539.1-21.6000111.4
399K27.5Very low30.8Very low179 Ų179132.9 Ų132.978%0.77875%0.745SS**  trans106.3129.7167.4-63.7175.8177.21770116.3
400N26.1Very low30.3Very low139 Ų139134.4 Ų134.474%0.74376%0.757SS**  19.2159.4117.5-54.2-4.4000120.5
401H31.8Very low30.3Very low169 Ų169132.8 Ų132.878%0.78275%0.747SS**  trans81.5110.4-179-47-73.4000111.9
402S27.3Very low30.3Very low102 Ų102133.8 Ų133.871%0.71375%0.752SS**  cis85.5130.732.5-161.60000114.4
403I29.9Very low30.3Very low167 Ų167130.1 Ų130.186%0.85675%0.746SS**  trans73.7128174-57.5148.7000115.2
404G31.1Very low30.3Very low70 Ų70135.1 Ų135.172%0.72275%0.754SS**  trans163.149.9175.900000118.7
405N31.2Very low30.4Very low140 Ų140141.4 Ų141.475%0.74976%0.761SS**  trans11.6124.4156.1-50.8-13.7000118.2
406N29.7Very low30.3Very low149 Ų149140 Ų14080%0.79777%0.766SS**  -179.1152.972.5-103.1-30000109.2
407I32.5Very low30.2Very low143 Ų143138 Ų13873%0.73376%0.763SS**SBendcis-131139.39.6-55175.6000109.9
408T32.1Very low30Very low123 Ų123138.6 Ų138.676%0.75577%0.767SS**SBendtrans60.1111.5167.244.50000121.3
409S36.6Very low29.9Very low111 Ų111139.2 Ų139.278%0.77677%0.769SS**  trans64.758.1144.453.80000120.3
410S29.5Very low30.1Very low108 Ų108136.3 Ų136.376%0.75577%0.768SS**  -38.4173.9122.543.50000115.8
411P36Very low30.1Very low95 Ų95133.1 Ų133.162%0.61777%0.768SS**  cis-144.6-176.6-21.933.6-12.1000116.2
412Q29.4Very low29.9Very low158 Ų158132.5 Ų132.574%0.73877%0.768SS**  trans69.7161.1138.3-84.3165.7-66.400120.5
413D29.8Very low30Very low124 Ų124138.2 Ų138.266%0.66378%0.775SS**  cis-143.6168.22.3-136.7-34.8000114.7
414Y28.7Very low29.9Very low213 Ų213136.7 Ų136.784%0.83577%0.768SS**  trans-71.6139.3170.8-90.6-117.6000112.6
415R28.6Very low30Very low240 Ų240137.9 Ų137.991%0.90677%0.765SS**  trans-162.1132.8142.2-116.4166.4-165.3-88.9-1114.6
416S27.4Very low29.8Very low120 Ų120140.4 Ų140.484%0.83977%0.773SS**  trans-81.4117.3174.8-29.90000111.1
417V28.1Very low30Very low122 Ų122140.1 Ų140.174%0.73978%0.777SS**  trans-147.6134161.5-168.10000109.8
418S25.9Very low29.9Very low123 Ų123142.7 Ų142.786%0.8678%0.783SS**  trans-81.3110.3168.6-47.90000110.1
419V27.8Very low29.8Very low129 Ų129141.4 Ų141.478%0.78278%0.776SS**  trans-151.1146.8171128.60000110.5
420P32.8Very low29.4Very low117 Ų117142.8 Ų142.876%0.7678%0.775SS**  trans-95.5138.5-16935-34.5000115.8
421G26.8Very low29.6Very low72 Ų72144.9 Ų144.974%0.74278%0.776SS**  trans103.3170.3143.700000118.9
422I27.8Very low29.8Very low156 Ų156148.5 Ų148.580%0.879%0.788SS**  trans86139154.8-57.8172.9000118.3
423W28.2Very low29.7Very low222 Ų222145.9 Ų145.984%0.84179%0.788SS**  trans56.390.2168.2-103.9-75.8000122.9
424N28.9Very low29.8Very low135 Ų135144.5 Ų144.572%0.72279%0.785SS**  23.5131.7108.3-112.313.7000121.1
425S31.8Very low29.8Very low95 Ų95141 Ų14166%0.66478%0.777SS**  trans48.8115.9135.667.20000121.1
426Q27.5Very low29.8Very low194 Ų194137.7 Ų137.791%0.90777%0.769SS**  trans-150.597.3150.7-123.4-172.938.300114
427T33.9Very low29.8Very low143 Ų143135.9 Ų135.988%0.87776%0.761SS**  trans-146.695.1148.720.70000109.7
428K30.4Very low30Very low197 Ų197136.4 Ų136.486%0.85776%0.76SS**  trans32.2145.8141-85.3-172.5169.3-176.70121.3
429P29.4Very low30.1Very low96 Ų96139.3 Ų139.362%0.62376%0.757SS**  cis-141.5172.2-44.436.4-17.7000113.3
430D29.2Very low30.2Very low139 Ų139138.8 Ų138.874%0.74375%0.754SS**  trans51.5138.8137.9-62.5-22.9000123.9
431I32.7Very low30.2Very low153 Ų153138.4 Ų138.479%0.78575%0.749SS**  trans64.888.7149.9-58154.9000116
432I40Very low30.5Very low170 Ų170145 Ų14587%0.87275%0.753SS**  -156.4139.8102.6-96.6153.3000109.8
433S27.4Very low30.9Very low104 Ų104141 Ų14173%0.72775%0.75SS**  trans-137.6170.4-178.3-170.70000106.5
434P32.6Very low31.3Very low94 Ų94137.1 Ų137.161%0.6175%0.746SS**  -124.4-156.6-57.436.7-22.1000109.6
435Q28.8Very low31.6Very low141 Ų141136.1 Ų136.166%0.65975%0.75SS**  trans72.6144.8150.1-78.6174.843.200120.9
436K28.9Very low31.7Very low169 Ų169136.6 Ų136.674%0.73575%0.752SS**  trans67.3124.7154.3-67.5153.9-179.7157.70116.3
437A27.9Very low32.2Very low83 Ų83134.6 Ų134.669%0.68675%0.747SS**  cis88153.539.100000113.8
438D31.2Very low32.4Very low132 Ų132131.6 Ų131.671%0.70674%0.737SS**  trans68.2119.2-177.4-59.6-54.1000114.1
439K28.2Very low32.7Very low185 Ų185129.6 Ų129.680%0.80474%0.736SS**  89.8163.354.5-85.3-172.3173.3179.80112.5
440V30.2Very low33Very low118 Ų118129.5 Ų129.572%0.71574%0.738SS**  trans85.993.6168.2-172.70000113.4
441T32.3Very low33.5Very low108 Ų108129.2 Ų129.266%0.66374%0.741SS**  88.2135.690.2-57.30000110.3
442Y32.6Very low33.5Very low211 Ų211131.5 Ų131.583%0.82775%0.745SS**  -142.4159.255.2-79-96.2000113.7
443G35.9Very low33.2Very low71 Ų71129.1 Ų129.173%0.73274%0.739SS**  trans179.3-5.5-179.400000121.3
444N36.5Very low33.4Very low141 Ų141130.8 Ų130.875%0.75474%0.737SS**  trans53.5140.6165.4-61.4-0.4000122.3
445S35.1Very low33.5Very low114 Ų114132.4 Ų132.480%0.79775%0.747SS**  trans61.9134.2159.953.30000119.4
446C35.9Very low33.8Very low106 Ų106132.9 Ų132.972%0.71675%0.751SS**  cis-152.2147.3-7.5-97.40000110.3
447D36Very low33.8Very low151 Ų151130.4 Ų130.481%0.80775%0.75SS**  trans32.8136.4136.1-47.9-37.8000121.3
448A38.6Very low34.1Very low80 Ų80131.5 Ų131.566%0.66175%0.753SS**  cis-161.9162.2-3.700000112.8
449D38.1Very low34.1Very low156 Ų156131.3 Ų131.383%0.83476%0.756SS**  trans57.1148.1149.9-69.4-18.8000123.9
450S34.6Very low34.5Very low94 Ų94127.7 Ų127.766%0.65775%0.751SS**  cis-167.2174.7-23.957.30000111.8
451V39.6Very low34.7Very low133 Ų133128 Ų12881%0.80676%0.759SS**  trans72.8125.4167.9-168.90000118.2
452K33.7Very low34.6Very low200 Ų200131 Ų13187%0.8777%0.765SS**  trans-152.4134.6179170.1-172.8179.5-179.10108.2
453T34.1Very low34.6Very low121 Ų121127.1 Ų127.174%0.74276%0.758SS**  trans-136.1106.6-179.4-25.80000113.2
454M31.4Very low34.4Very low139 Ų139130.1 Ų130.169%0.68576%0.757SS**  trans37117.7151.1-58.5179.471.100121.1M456M454-M456 HydrophobicContact CE-CG 4.28Å; M454-M456 HydrophobicContact CE-SD 4.34Å
455P33.2Very low34.3Very low128 Ų128131.6 Ų131.683%0.83176%0.757SS**  trans-81.6134.7133.133.7-27.8000109.6
456M35.3Very low34Very low151 Ų151137.5 Ų137.574%0.74476%0.762SS**  trans-107.9133.6175.8-155175.296.100111M454M454-M456 HydrophobicContact CE-CG 4.28Å; M454-M456 HydrophobicContact CE-SD 4.34Å
457V30Very low33.6Very low117 Ų117137 Ų13771%0.70976%0.759SS**  trans-90.8148.7177171.40000109.7V459V457-V459 HydrophobicContact CG1-CG2 3.74Å
458S33.4Very low33.4Very low106 Ų106137.3 Ų137.374%0.74176%0.761SS**  trans-145144.3162.9-70.50000108.7
459V31.6Very low32.8Very low127 Ų127138.9 Ų138.977%0.7777%0.767SS**  trans-121.2-156.1-157.7-1460000111.1V457V457-V459 HydrophobicContact CG1-CG2 3.74Å
460P37.4Very low32.4Very low109 Ų109139.1 Ų139.171%0.70877%0.767SS**  trans-109.6-179.8-133.442.1-26.6000114.3
461S33.6Very low32.1Very low125 Ų125140.8 Ų140.887%0.87477%0.768SS**  trans-155.4163.6154.8-80.40000110.6
462E30.8Very low31.5Very low172 Ų172139.4 Ų139.480%0.80476%0.764SS**  trans-105.6-175.8-160.5-57.6-178.814200114.8
463N32.5Very low31.4Very low128 Ų128136.5 Ų136.568%0.68476%0.759SS**  trans89.591148.3-70.8-55.1000121.3
464L31.9Very low31.1Very low135 Ų135140.7 Ų140.771%0.70777%0.766SS**  95.3124.3104.2-15869000120.1
465K33Very low31Very low172 Ų172139.4 Ų139.475%0.74877%0.771SS**  trans74.5115.6162.3-75.8157-174.2174.60120
466R28.8Very low30.9Very low238 Ų238140.5 Ų140.590%0.89877%0.765SS**  29.5141.8122.2-56.9-178.1177.3168.9-2.1118.7
467S28.5Very low30.5Very low95 Ų95139.2 Ų139.266%0.66477%0.769SS**  cis-148.7168.329.7-48.90000115.2
468D30.5Very low30.5Very low158 Ų158141 Ų14185%0.84577%0.77SS**  trans70.9131.5150.7-50.8-32.9000121
469S27.7Very low30.2Very low113 Ų113144 Ų14479%0.7977%0.772SS**  trans-110.2105.5-159.143.30000113.8N471S469-N471 PolarHBondContact O-N 3.02Å
470I28.4Very low29.9Very low160 Ų160147.7 Ų147.782%0.82178%0.778SS**  trans-94.874161.9-52.6179000108.5S472I470-S472 VanDerWaalsContact C-N 3.32Å; I470-S472 PolarHBondContact O-N 3.05Å
471N28.8Very low29.4Very low130 Ų130147.7 Ų147.770%0.69578%0.78SS**  trans-91.661.3-178.8-157.30.9000112.5S469 N473S469-N471 PolarHBondContact O-N 3.02Å; N471-N473 VanDerWaalsContact C-N 3.34Å; N471-N473 PolarHBondContact O-N 3.31Å; N471-N473 PolarHBondContact OD1-ND2 2.9Å
472S27.9Very low29.1Very low103 Ų103148.8 Ų148.872%0.7278%0.782SS**  trans-78.376.4175.959.70000111.5I470I470-S472 VanDerWaalsContact C-N 3.32Å; I470-S472 PolarHBondContact O-N 3.05Å
473N30.1Very low29Very low140 Ų140144.9 Ų144.975%0.74978%0.778SS**  trans-118.1141-176.8-91.8-56.4000114.5N471N471-N473 VanDerWaalsContact C-N 3.34Å; N471-N473 PolarHBondContact O-N 3.31Å; N471-N473 PolarHBondContact OD1-ND2 2.9Å
474K29.1Very low28.8Very low209 Ų209143 Ų14391%0.90978%0.78SS**  trans-94.7122.5-170.2-64.9164.4177.6165.50112.6
475S27.8Very low28.6Very low111 Ų111144 Ų14478%0.77679%0.786SS**  trans-166.3151.8152.8580000108.9
476H32.1Very low28.5Very low152 Ų152140.8 Ų140.870%0.70478%0.781SS**  cis-140.299.7-16.2-162.484.3000108.1H478H476-H478 AromaticContact CD2-CD2 3.89Å; H476-H478 AromaticContact CD2-NE2 3.56Å; H476-H478 AromaticContact NE2-NE2 3.9Å; H476-H478 PolarHBondContact O-N 2.76Å
477C26.3Very low28.4Very low124 Ų124134.8 Ų134.884%0.83877%0.767SS**  trans-84.196.2-171.4-56.20000112.1Q479C477-Q479 PolarHBondContact O-N 2.9Å; C477-Q479 VanDerWaalsContact O-N 3.15Å
478H30.5Very low28.5Very low155 Ų155138.9 Ų138.972%0.71878%0.775SS**  trans-68.4110.9170.6-87-68000111.2H476H476-H478 AromaticContact CD2-CD2 3.89Å; H476-H478 AromaticContact CD2-NE2 3.56Å; H476-H478 AromaticContact NE2-NE2 3.9Å; H476-H478 PolarHBondContact O-N 2.76Å
479Q27Very low28.6Very low168 Ų168137.3 Ų137.379%0.78577%0.771SS**  trans-77.8128.2172.3-63.1173.5-18.400109.9C477C477-Q479 PolarHBondContact O-N 2.9Å; C477-Q479 VanDerWaalsContact O-N 3.15Å
480F26.1Very low28.7Very low204 Ų204139.4 Ų139.490%0.89577%0.77SS**  trans-123.2119.8149.4-88.6-77000109.2
481S25.7Very low29Very low109 Ų109140.3 Ų140.376%0.76277%0.771SS**  trans-95.5124.5173.5-64.90000109.1
482V28.5Very low28.9Very low149 Ų149139.9 Ų139.990%0.90378%0.778SS**  trans-121103.3152-178.10000106.6
483A28.8Very low29.2Very low89 Ų89140.4 Ų140.474%0.73678%0.781SS**  trans-82.7163.5173.200000110.7
484A26.7Very low29.2Very low88 Ų88138.2 Ų138.273%0.72778%0.783SS**  trans-51172.6-17800000117.2
485L28.3Very low29.4Very low157 Ų157137.6 Ų137.682%0.82278%0.783SS**  trans135.5117.4149-70.9170.1000107.7
486T30.3Very low29.6Very low105 Ų105137.2 Ų137.264%0.64478%0.781SS**  cis59.71063881.20000114.4
487D28.3Very low29.5Very low112 Ų112138.6 Ų138.660%0.59979%0.787SS**  trans36.3102.5159.8-53.4-12.8000117.4K188K188-D487 IonicContact NZ-OD2 3.51Å; K188-D487 PolarHBondContact NZ-OD2 3.4Å
488E29.8Very low29.8Very low181 Ų181141.9 Ų141.985%0.84679%0.79SS**  175.4150.6103.9-99.7174.7-154.800114.6
489V32.9Very low29.8Very low125 Ų125139.3 Ų139.376%0.75879%0.79SS**  trans70.2139.4151.9170.90000119.5
490M28.4Very low30.2Very low157 Ų157140.7 Ų140.777%0.77379%0.793SS**  trans-75.8158.7175.1-48.3-171.3-60.500111.9
491H35.8Very low30.6Very low179 Ų179136.1 Ų136.183%0.82979%0.787SS**  178.4158.6128-87.9-53.5000110.6
492S27.6Very low30.9Very low121 Ų121139.6 Ų139.685%0.84679%0.791SS**  trans-119.7122.4-162.1-46.80000114.2
493S32.4Very low31Very low113 Ų113138 Ų13879%0.7978%0.782SS**  trans-178.3116.2156.451.60000107.7
494A30.7Very low31.2Very low94 Ų94139.6 Ų139.678%0.77778%0.782SS**  78.7124.352.700000113.8
495Q33Very low31.3Very low196 Ų196142.3 Ų142.392%0.91678%0.783SS**  trans65.6150.7172.9-70.4178.8-11.500116.7
496S32.1Very low31.5Very low104 Ų104144.1 Ų144.173%0.72779%0.785SS**  cis-148.7179.1-14.2-152.30000111.2
497E31.3Very low31.4Very low180 Ų180144.9 Ų144.984%0.84179%0.794SS**  trans-55.7149.7173-54.3165.8136.700114.3
498E32.7Very low31.7Very low193 Ų193149 Ų14990%0.90281%0.806SS**  -179.7-175.8104.6-166.9149.7-148.100110.2
499S30.4Very low31.7Very low102 Ų102145.7 Ų145.771%0.71380%0.804SS**  trans-135.4166.8-154.7-580000116.5
500K35Very low31.8Very low196 Ų196145.8 Ų145.885%0.85281%0.807SS**  trans86.4144.3153.2-68.4166.3-179.2169.50121.7
501S34.2Very low32.1Very low109 Ų109147.9 Ų147.976%0.76281%0.812SS**  trans61.291.5149.649.40000122.3
502Q31Very low31.9Very low181 Ų181147.9 Ų147.985%0.84681%0.812SS**  15.1124.4115.8-176.4-178.21.600119.1
503T31.7Very low32.4Very low117 Ų117148.1 Ų148.172%0.71881%0.81SS**  172.3100.9122.4-70.40000113.5
504T31.9Very low32.7Very low121 Ų121148.2 Ų148.274%0.74281%0.811SS**  trans59.3139.5134.7-29.50000123.5
505I29.3Very low32.8Very low146 Ų146147.2 Ų147.275%0.74981%0.81SS**  trans65.3100.5163.6-13.4172.4000120.2
506K33.8Very low32.9Very low195 Ų195148.1 Ų148.185%0.84881%0.811SS**  175.7119.3103.6-93.2169.9-173.9168.60111.4
507S28.3Very low32.9Very low120 Ų120153.3 Ų153.384%0.83982%0.82SS**  trans-76.8131178.942.10000112.5
508K34.1Very low32.9Very low198 Ų198154.5 Ų154.586%0.86182%0.817SS**  trans-140.7106.5165.1-76.5-174177176.40109.6P510K508-P510 WeakPolarHBondContact O-CD 3.47Å
509S29.7Very low32.8Very low113 Ų113151.8 Ų151.879%0.7981%0.814SS**PPolyproline II helixtrans-71.6127.6178.2-47.40000111.4
510P35.5Very low32.9Very low127 Ų127154.1 Ų154.183%0.82581%0.808SS**PPolyproline II helixtrans-62.9135.9165-20.633.8000110.5K508K508-P510 WeakPolarHBondContact O-CD 3.47Å
511K33.5Very low32.7Very low200 Ų200153 Ų15387%0.8780%0.798SS**PPolyproline II helixtrans-82138.5179.2-67177.9178.71780110.8
512H31.2Very low32.7Very low180 Ų180155.4 Ų155.483%0.83380%0.795SS**PPolyproline II helixtrans-62.4135.9164.1-92.9-83.2000111.1
513P38.8Very low32.7Very low125 Ų125149.2 Ų149.281%0.81277%0.772SS**PPolyproline II helixtrans-72.3127.4145.531.2-29.7000108.3
514S39.3Very low32.7Very low116 Ų116152 Ų15281%0.81178%0.777SS**PPolyproline II helixtrans-99.4139.3-172.552.30000113.4
515G32.7Very low32.6Very low73 Ų73154.5 Ų154.575%0.75378%0.78SS**  trans48.3113.4145.400000120.8
516K33.7Very low32.8Very low214 Ų214155.4 Ų155.493%0.9377%0.774SS**  trans-145.4110.5135.7-108.2157.7-169.9173.50110.6
517K32.9Very low32.7Very low213 Ų213151.9 Ų151.993%0.92677%0.765SS**  trans-68.3130.8169.3-66.9176.3178.5175.60108.8
518R30.6Very low32.9Very low205 Ų205152.6 Ų152.677%0.77476%0.758SS**  trans-151.5104160.5-162.8168.3175.8137.67.7112.4Y520R518-Y520 HydrophobicContact CG-CD2 3.99Å; R518-Y520 HydrophobicContact CG-CE2 3.94Å; R518-Y520 VanDerWaalsContact NE-CE2 3.33Å; R518-Y520 PolarHBondContact NH2-OH 2.91Å
519T31.5Very low32.9Very low136 Ų136147.7 Ų147.783%0.83474%0.736SS**  trans-76.3126.5177.3-47.40000111.4
520Y31.8Very low33Very low152 Ų152148.1 Ų148.160%0.59673%0.73SS**  trans-144.4143.2163.6-89.8-85.5000113.2R518R518-Y520 HydrophobicContact CG-CD2 3.99Å; R518-Y520 HydrophobicContact CG-CE2 3.94Å; R518-Y520 VanDerWaalsContact NE-CE2 3.33Å; R518-Y520 PolarHBondContact NH2-OH 2.91Å
521R30.7Very low33Very low172 Ų172147.3 Ų147.365%0.64973%0.727SS**  trans-106175.5166.5-95.8178.3149.6169.6-9.1109.2P1419 N1420R521-P1419 HydrophobicContact CG-CB 4.27Å; R521-N1420 PolarHBondContact NH2-O 3.22Å; R521-N1420 VanDerWaalsContact NH2-O 3.13Å
522K34.3Very low33.1Very low159 Ų159143.2 Ų143.269%0.69172%0.718SS**  trans83.1118.1176.9-58.3-172.2175.7-170.20112.4R1417 F1418K522-R1417 WeakPolarHBondContact O-CB 3.45Å; K522-F1418 CarbonylContact C-O 3.23Å; K522-F1418 VanDerWaalsContact C-O 3.23Å; K522-F1418 PolarHBondContact N-O 2.94Å
523S31.4Very low33.3Very low52 Ų52144.7 Ų144.736%0.36472%0.718SS.*  79120.950.677.40000114.7R1417 F1418S523-R1417 PolarHBondContact N-O 3.41Å; S523-R1417 VanDerWaalsContact N-O 3.1Å; S523-F1418 PolarHBondContact N-O 3.1Å; S523-F1418 VanDerWaalsContact N-O 3.15Å
524E31Very low33.1Very low174 Ų174144.1 Ų144.181%0.81371%0.708SS**  trans66.4156.3174.3-58.6174.4122.100113.7
525Q31.5Very low33Very low174 Ų174147 Ų14781%0.81371%0.706SS**  cis-141.6-177.816.9-167.3165.1-38.100111.6
526R32.6Very low33Very low166 Ų166153 Ų15363%0.62671%0.707SS**  trans-71.1157.5-176.6-45.1169.1-164.6149.8-0.2113.5Y557R526-Y557 PolarHBondContact NH2-OH 3.36Å
527D32.5Very low33Very low121 Ų121146.8 Ų146.865%0.64769%0.691SS**  -169.8166.2101.2-91.8-18.2000113
528I31.9Very low33Very low135 Ų135143.9 Ų143.969%0.69268%0.681SS**  trans-120.5155.7-163.2-68.5165.3000111.2N1411I528-N1411 CarbonylContact C-O 3.21Å
529K35Very low33.1Very low94 Ų94145.2 Ų145.241%0.40969%0.686SS.*  trans167.5175.8144.9-92.9160-166.2179.90113.1I1409 N1410 N1411K529-I1409 WeakPolarHBondContact CB-O 3.43Å; K529-I1409 HydrophobicContact CD-CG2 3.63Å; K529-I1409 WeakPolarHBondContact CD-O 3.38Å; K529-I1409 VanDerWaalsContact CG-O 3.23Å; K529-I1409 WeakPolarHBondContact CG-O 3.12Å; K529-I1409 VanDerWaalsContact NZ-CG2 3.26Å; K529-N1410 VanDerWaalsContact CB-C 3.46Å; K529-N1410 VanDerWaalsContact CD-C 3.47Å; K529-N1410 WeakPolarHBondContact CD-O 3.27Å; K529-N1410 PolarHBondContact NZ-O 2.9Å; K529-N1411 HydrophobicContact CB-CB 3.92Å; K529-N1411 HydrophobicContact CD-CB 4.03Å; K529-N1411 PolarHBondContact N-O 3.46Å
530N31Very low33.2Very low122 Ų122147 Ų14765%0.65268%0.684SS**  trans-123.8154.7-152.9-57-37.4000117.2
531S35.9Very low33.3Very low110 Ų110144.4 Ų144.477%0.76968%0.68SS**  trans-170120.1142.6500000107.6
532V36Very low33.5Very low114 Ų114142.1 Ų142.169%0.69168%0.677SS**  cis88.6140.638.3-176.10000112.8
533Y33.5Very low33.4Very low211 Ų211142 Ų14283%0.82767%0.673SS**  trans75.7133.4-168.9-61.7-77.4000114.3
534D36Very low33.4Very low113 Ų113147.4 Ų147.460%0.60470%0.699SS**  cis-165169.2-5.6-149.37.8000106.6
535K36.2Very low33.6Very low176 Ų176146 Ų14677%0.76569%0.69SS**  cis-145.5176.118.5-87.6-175.9178.5176.30113.1
536Y34Very low33.6Very low199 Ų199141.7 Ų141.778%0.7868%0.679SS**  trans-68154.9169.9-66.2-105.6000112.9
537S32.7Very low33.7Very low84 Ų84142.7 Ų142.759%0.58769%0.688SS**  cis100.2145.816.9-161.90000116.6
538H33.5Very low33.7Very low153 Ų153140.1 Ų140.171%0.70868%0.684SS**  trans69.7134.2173.6-53.9-65.1000117.3
539R32.9Very low33.6Very low233 Ų233144 Ų14488%0.87969%0.691SS**  -121142.657-66.9-163.7176.5-149.70.9116.4
540H33.4Very low33.5Very low173 Ų173144.6 Ų144.680%0.80170%0.704SS**  trans-138.5114.7162.6-156.4-25000105.9
541N34Very low33.4Very low97 Ų97146.7 Ų146.752%0.51971%0.708SS.*  trans-111.8161.9164-72.155.7000105.2
542E33.9Very low33.3Very low125 Ų125151.5 Ų151.558%0.58472%0.715SS**  cis-170.9145.9-19.5-107.2170.8138.300102.9
543Y32.9Very low33Very low155 Ų155151.8 Ų151.861%0.60871%0.713SS**  cis-134.2143.86.2-94.3-86000109.6K545Y543-K545 HydrophobicContact CD1-CB 4.37Å; Y543-K545 HydrophobicContact CD1-CD 3.79Å; Y543-K545 HydrophobicContact CD1-CG 4.18Å; Y543-K545 HydrophobicContact CE1-CD 3.81Å; Y543-K545 HydrophobicContact CE1-CG 4.5Å
544D31.5Very low32.8Very low167 Ų167149.1 Ų149.189%0.89371%0.713SS**  trans-135.5129.7143.4-168.42.9000107.5
545K35.1Very low32.6Very low144 Ų144149.3 Ų149.363%0.62672%0.72SS**  trans-129.687.3-158.5-138.9177-169.5168.40112.5Y543Y543-K545 HydrophobicContact CD1-CB 4.37Å; Y543-K545 HydrophobicContact CD1-CD 3.79Å; Y543-K545 HydrophobicContact CD1-CG 4.18Å; Y543-K545 HydrophobicContact CE1-CD 3.81Å; Y543-K545 HydrophobicContact CE1-CG 4.5Å
546S32.2Very low32.3Very low84 Ų84147.1 Ų147.159%0.58772%0.722SS**  trans66.6148.2136.4680000118.2
547F33.9Very low31.9Very low187 Ų187146.2 Ų146.282%0.8272%0.718SS**  cis-12613614.5-84.3-104.6000109.5
548A31.5Very low31.8Very low67 Ų67149.1 Ų149.155%0.55473%0.733SS**  61104.776.900000112.3
549Y31.2Very low31.5Very low216 Ų216148.5 Ų148.585%0.84773%0.734SS**  85.2162.388.5-84.8-58.4000112.9
550P33Very low31.1Very low106 Ų106148 Ų14869%0.68873%0.733SS**  cis-130.8171.1-12.727.8-5.6000116.1
551K29.4Very low30.8Very low166 Ų166145.6 Ų145.672%0.72273%0.734SS**  trans10.7142.5146-50.4176.2-177.7-177.80120.7
552F32.5Very low30.4Very low212 Ų212145.9 Ų145.993%0.9374%0.741SS**  -147.4148119.3-117.4-77.2000111.2
553D29.3Very low29.9Very low119 Ų119147.2 Ų147.264%0.63675%0.751SS**  trans-102.9147.1-169.6-54.3-92.2000112.9
554N30.2Very low29.8Very low156 Ų156145.4 Ų145.483%0.83476%0.755SS**  -179.6126.5129.7-102.9-57.4000113.7
555P30.8Very low29.9Very low117 Ų117144.3 Ų144.376%0.7675%0.75SS**  trans-111.7128170.135.8-25.5000112.3
556T30.5Very low29.6Very low130 Ų130145 Ų14580%0.79876%0.76SS**  trans-144.1142.3174.5-50.70000113.2
557Y26.3Very low29.6Very low180 Ų180148.9 Ų148.971%0.70677%0.774SS**  trans-70.7141.5172.8-81.5-142.3000111.4R526R526-Y557 PolarHBondContact NH2-OH 3.36Å
558T30.8Very low29.6Very low144 Ų144143.2 Ų143.288%0.88377%0.768SS**  trans-130.8121.3137.738.50000110.5
559N25.4Very low29.5Very low140 Ų140147.5 Ų147.575%0.74978%0.782SS**  trans-87.9145.6169.5-158.6-20.9000107.7
560R25.4Very low29.7Very low224 Ų224143.1 Ų143.185%0.84577%0.773SS**  trans69.4123.4179.6-46169.2179.4-176.9-1.5116.9
561C26.3Very low29.8Very low122 Ų122146.5 Ų146.582%0.82478%0.777SS**  -151.1169.3117.3-940000108.8
562P26.2Very low29.7Very low103 Ų103142.9 Ų142.967%0.66977%0.773SS**  trans-64.3167.4171.3-16.132.9000111.3
563I24.4Very low29.4Very low153 Ų153144.3 Ų144.379%0.78577%0.772SS**  43.9141.177.1-34.7177.2000112.5
564V30.5Very low29.5Very low117 Ų117145.7 Ų145.771%0.70978%0.78SS**  trans74.1123.5175.4-1710000113.4
565D32.2Very low29.2Very low144 Ų144142.7 Ų142.777%0.7777%0.77SS**  cis-155165.2-12.6-110.4-11.8000110.5
566N29.1Very low29.1Very low157 Ų157143.6 Ų143.684%0.8477%0.774SS**  trans-82.6125.1169.3-73.4-48.3000111
567N32.5Very low29.2Very low167 Ų167140.4 Ų140.489%0.89377%0.767SS**  trans-166.5147.7161.7-111.9-38.7000113.8
568G33.6Very low29.3Very low67 Ų67139 Ų13969%0.69177%0.772SS**  trans70114.9170.900000115.3
569N30.5Very low29.2Very low157 Ų157139.1 Ų139.184%0.8477%0.767SS**  cis68.978.816.7-154.218.5000115.9
570N35.4Very low29.3Very low125 Ų125137.7 Ų137.767%0.66877%0.768SS**  trans-159.6128.4156.5-94.1-45.6000108.3
571K33.7Very low29.7Very low176 Ų176135.8 Ų135.877%0.76577%0.774SS**  55.9103.4100.4-60.5177.5-163.5155.60113.4
572S27.1Very low30Very low90 Ų90139.9 Ų139.963%0.62978%0.778SS**  81.5124.661.373.60000114.1
573W27.9Very low30.2Very low242 Ų242138.6 Ų138.692%0.91778%0.784SS**  trans70.3140.2179.6-48-14.9000112.6
574N29.5Very low30.5Very low149 Ų149135.8 Ų135.880%0.79778%0.783SS**  cis-102.4160.521.9-61.8-37.3000112.1
575S25.6Very low30.3Very low92 Ų92136.2 Ų136.264%0.64379%0.791SS**  cis62.8122.148.7-170.10000114.7
576T28.2Very low30.2Very low136 Ų136139.1 Ų139.183%0.83479%0.793SS**  trans57.1134.815545.80000120.2
577G32.4Very low30Very low64 Ų64140.5 Ų140.566%0.6679%0.792SS**  trans92.9116.2178.700000111.2
578N28.8Very low29.9Very low150 Ų150138 Ų13880%0.80279%0.785SS**  95.713455.4-77.119.9000111.7
579D28.6Very low29.5Very low146 Ų146140 Ų14078%0.78178%0.783SS**  trans68.1109.5162.9-54.5-45.8000121.1
580S27.8Very low29.3Very low110 Ų110139.4 Ų139.477%0.76979%0.786SS**  trans40.7105.2136.8-59.80000121.2
581L33.7Very low29Very low184 Ų184139.3 Ų139.396%0.96379%0.79SS**  -172.5167.9115.9-99.5158000111.6
582K31.5Very low28.9Very low208 Ų208134 Ų13490%0.90479%0.785SS**  trans-143.1114.7-157.3-173.9178.8-174.8175.90112.8
583G30.9Very low29Very low77 Ų77135.1 Ų135.179%0.79479%0.788SS**  trans-174.5137.617600000117.4
584A30.1Very low29.1Very low94 Ų94130.2 Ų130.278%0.77778%0.78SS**  trans40.291.3155.600000120.2Y586A584-Y586 PolarHBondContact O-N 3.1Å
585S28.2Very low29.2Very low125 Ų125130.4 Ų130.487%0.87478%0.775SS**  trans-74.3116.4161.855.20000112.1
586Y28.6Very low29.5Very low205 Ų205132.6 Ų132.680%0.80478%0.78SS**  trans-118.4179171.7-106.1-111000110.6A584A584-Y586 PolarHBondContact O-N 3.1Å
587F26.3Very low29.4Very low186 Ų186131.5 Ų131.582%0.81678%0.776SS**  trans-37.1145.6164.3-69.8-91.1000112.9
588P28.9Very low29.2Very low115 Ų115135.3 Ų135.375%0.74778%0.777SS**  -154164.866.540.9-20.1000120.4
589T25.6Very low29.6Very low108 Ų108136.6 Ų136.666%0.66377%0.771SS**  trans4.8142.8141.4-26.10000122V591T589-V591 HydrophobicContact CG2-CG2 3.44Å; T589-V591 VanDerWaalsContact CG2-CG2 3.44Å
590T27.2Very low29.6Very low146 Ų146138.4 Ų138.490%0.89678%0.778SS**  trans-121.3144.6141.442.90000110.5
591V29.4Very low29.6Very low123 Ų123139.5 Ų139.575%0.74577%0.771SS**  trans-126.8151.8-173.7-1700000109.6T589 T593T589-V591 HydrophobicContact CG2-CG2 3.44Å; T589-V591 VanDerWaalsContact CG2-CG2 3.44Å; V591-T593 HydrophobicContact CG1-CG2 4.09Å
592G29.8Very low29.3Very low65 Ų65136.5 Ų136.567%0.6776%0.756SS**  trans-174.858.8174.500000111.9
593T30.3Very low29.3Very low113 Ų113133.2 Ų133.269%0.69375%0.754SS**  56.5106.4103.262.60000115.1V591V591-T593 HydrophobicContact CG1-CG2 4.09Å
594N30.2Very low29.2Very low138 Ų138134.7 Ų134.774%0.73875%0.747SS**  -167139.7116.1-100-10.7000114.3
595H32.1Very low29.1Very low153 Ų153135.2 Ų135.271%0.70875%0.745SS**  trans44.1134.1157.2-57.8-60.2000123.2
596N31.1Very low29.2Very low138 Ų138137.9 Ų137.974%0.73874%0.741SS**  trans51.4121.4152.2-63.6-2.5000118.3
597C25.5Very low29.4Very low113 Ų113138 Ų13876%0.76474%0.741SS**  62.4142.959.5-58.50000113.2
598E29.3Very low29.4Very low144 Ų144134.2 Ų134.267%0.67374%0.738SS**  trans77.7110.2172.9-58-108.764.100116.6
599R36.9Very low29.5Very low177 Ų177134 Ų13467%0.66874%0.737SS**  66.782.6117.8-156.3-176.8-57.1-140.98.4115.7H601R599-H601 VanDerWaalsContact C-N 3.29Å; R599-H601 HydrophobicContact CG-CB 4.31Å; R599-H601 PolarHBondContact O-N 3.2Å
600I28.7Very low29.9Very low184 Ų184135.7 Ų135.794%0.94474%0.741SS**  trans-63.590.6165-54.1173.5000108.6
601H28.3Very low29.9Very low133 Ų133133.8 Ų133.862%0.61673%0.73SS**  trans-136.4149.1176.6-109.3-97.3000108.8R599R599-H601 VanDerWaalsContact C-N 3.29Å; R599-H601 HydrophobicContact CG-CB 4.31Å; R599-H601 PolarHBondContact O-N 3.2Å
602D27.6Very low29.8Very low122 Ų122134.8 Ų134.865%0.65273%0.73SS**  trans34.7126.3146.4-46.8-24.6000119.4
603T29.7Very low30Very low139 Ų139139.7 Ų139.785%0.85374%0.736SS**  -133.398.7117.3-10.70000110.8
604V29.4Very low29.8Very low107 Ų107141.5 Ų141.565%0.64874%0.741SS**  55.491.7126.8178.30000114.5
605S27.6Very low29.8Very low106 Ų106140.5 Ų140.574%0.74174%0.74SS**  58.4114.982.1-56.90000114
606K31.7Very low29.5Very low180 Ų180139.9 Ų139.978%0.78374%0.742SS**  trans-160.7119.7142.7-107.8159.8-171.8175.80111.2
607Y32.8Very low29.3Very low207 Ų207137.6 Ų137.681%0.81274%0.736SS**  trans61103.8164-53.8-64.8000119.7
608S24.5Very low29.7Very low107 Ų107137.4 Ų137.475%0.74873%0.727SS**  trans-55.6150.6134.6-41.70000109.8
609P32Very low29.9Very low111 Ų111136.1 Ų136.172%0.72173%0.731SS**  -115.2142.993.9-9.729.3000113.1
610L33.6Very low29.4Very low143 Ų143135.6 Ų135.675%0.74973%0.734SS**  61.193.992-57.3177.5000112.6
611T27.8Very low29.4Very low107 Ų107130.8 Ų130.866%0.65672%0.717SS**  76.8137.274.961.20000115.4
612N27.2Very low29.6Very low143 Ų143131.3 Ų131.377%0.76572%0.723SS**  trans79.3153.9167.3-54.1-27.6000117.1
613H32.8Very low29.8Very low168 Ų168135.2 Ų135.278%0.77873%0.728SS**  trans86.688.6-163.2-54.5-62.9000112.4V615H613-V615 HydrophobicContact CB-CG2 4.07Å
614N27.1Very low29.9Very low151 Ų151135.1 Ų135.181%0.80772%0.723SS**  cis42.678.248.5-168.817.5000112.1
615V30.5Very low30Very low117 Ų117135 Ų13571%0.70973%0.727SS**  trans-131.194.3172.9-177.20000108.4H613H613-V615 HydrophobicContact CB-CG2 4.07Å
616N26.3Very low30.2Very low140 Ų140134.1 Ų134.175%0.74973%0.726SS**  trans-60.2156.9147.8-86.9-33.8000108.9
617S26.7Very low30.3Very low90 Ų90132.7 Ų132.763%0.62973%0.727SS**SBendtrans81.3119.3168.8-450000117.4
618I33.1Very low30.4Very low109 Ų109127.6 Ų127.656%0.55972%0.722SS**  22.5122.7120.3-43165.1000116.3F620I618-F620 HydrophobicContact CB-CD2 4.23Å; I618-F620 HydrophobicContact CB-CE2 4.34Å; I618-F620 HydrophobicContact CG2-CD2 3.47Å; I618-F620 VanDerWaalsContact CG2-CD2 3.47Å; I618-F620 HydrophobicContact CG2-CE2 3.72Å; I618-F620 HydrophobicContact CG2-CG 4.13Å
619P33Very low30.8Very low117 Ų117130.3 Ų130.376%0.7673%0.727SS**  -113.8139.8125.137-33.4000109.7
620F27.6Very low31Very low167 Ų167130.3 Ų130.373%0.73273%0.727SS**  cis63.1143.243.6-67.2-66.7000111.5I618I618-F620 HydrophobicContact CB-CD2 4.23Å; I618-F620 HydrophobicContact CB-CE2 4.34Å; I618-F620 HydrophobicContact CG2-CD2 3.47Å; I618-F620 VanDerWaalsContact CG2-CD2 3.47Å; I618-F620 HydrophobicContact CG2-CE2 3.72Å; I618-F620 HydrophobicContact CG2-CG 4.13Å
621S28.8Very low30.9Very low83 Ų83127 Ų12758%0.5872%0.72SS**  cis-168165.413.3-136.10000113.6
622L31.9Very low31.2Very low143 Ų143130.6 Ų130.675%0.74973%0.729SS**  trans71.1146154.1-55.9157.8000116.5
623R30.9Very low31.4Very low204 Ų204127.7 Ų127.777%0.7772%0.72SS**  cis-156160.94-136.1172.7-176.3170.3-0.7114.4
624N32.3Very low31.2Very low138 Ų138129.6 Ų129.674%0.73872%0.722SS**  trans77.6139.5162.7-50.9-16000117.7
625S31.6Very low31.3Very low104 Ų104129.9 Ų129.973%0.72772%0.723SS**  cis-170142.5-21.8-95.40000110.7
626A32.9Very low31.4Very low87 Ų87129.7 Ų129.772%0.71972%0.724SS**  trans61.4152.3154.200000120.6
627D33Very low32Very low150 Ų150128.6 Ų128.680%0.80273%0.725SS**  cis-161.6162.3-27.6-104-43.6000112.3
628S34.3Very low32.1Very low101 Ų101136.4 Ų136.471%0.70674%0.74SS**  trans41.9107157.261.90000124
629L33.8Very low31.9Very low164 Ų164134.2 Ų134.286%0.85975%0.745SS**  25.8161.2107.4-58.9178.3000121.8
630P35.6Very low31.8Very low110 Ų110136.6 Ų136.671%0.71475%0.75SS**  cis-150175.2-37.643.6-25.6000117.9
631A31.8Very low31.8Very low75 Ų75137 Ų13762%0.6275%0.754SS**  trans82.1148.2138.400000125.6
632H34.6Very low31.9Very low181 Ų181141.2 Ų141.284%0.83876%0.764SS**  trans77.9151.7158.6-57.4-52.6000120.7
633S30.7Very low32.1Very low83 Ų83139.5 Ų139.558%0.5876%0.762SS**  cis-173.6143.5-29.6-92.30000112.1
634Y28.6Very low32.2Very low208 Ų208135.9 Ų135.982%0.81676%0.763SS**  trans65.7133.8143.2-77.1-54.3000125.8
635L29.9Very low31.9Very low156 Ų156134 Ų13482%0.81776%0.76SS**  trans86.3154.3140.8-67.8166.9000121.2
636P32.4Very low31.8Very low113 Ų113135.1 Ų135.173%0.73477%0.767SS**  trans-136.3-141.3-143.148.3-26.1000113.4
637P39.2Very low31.6Very low118 Ų118134.3 Ų134.377%0.76677%0.767SS**  trans-116.6151.1-132.932.4-10.7000117.6
638R29.2Very low31.4Very low254 Ų254132.4 Ų132.496%0.95877%0.765SS**  trans-149.9152.1157.8-66.9-176.4174.7161.6-2.7107.2
639G27.9Very low31.2Very low63 Ų63134.8 Ų134.865%0.64977%0.765SS**  cis141.7144.90.300000110.4
640L30.1Very low31Very low166 Ų166133.9 Ų133.987%0.86976%0.76SS**  trans71.8155.8-174.3-44.5170.8000113.1
641Q29.1Very low30.5Very low175 Ų175139.4 Ų139.482%0.81877%0.766SS**  cis-150.4153.56.8-150.7164-37.900112.8
642E30.9Very low31Very low172 Ų172141.2 Ų141.280%0.80477%0.772SS**  trans-69.8174.8160.8-103.7-176.3-176.100111.7
643P36.5Very low30.6Very low108 Ų108140 Ų14070%0.70177%0.771SS**  cis-124.1-154.42426.80.4000112
644T31Very low30.4Very low128 Ų128140.9 Ų140.979%0.78578%0.777SS**  cis-156.8168.619.7-36.90000112.5
645S27.8Very low30.3Very low97 Ų97135.7 Ų135.768%0.67877%0.771SS**  trans-93.8165.1179.9580000114.9
646C29.4Very low30.2Very low129 Ų129134 Ų13487%0.87277%0.772SS**  179.6121117.1-1010000115.8
647G28.6Very low30.1Very low69 Ų69134 Ų13471%0.71178%0.775SS**  95.797.5120.600000122.9
648S29.1Very low29.5Very low110 Ų110133.2 Ų133.277%0.76978%0.778SS**  88.6114.7113.2-64.70000124.7
649Q29.1Very low29.5Very low152 Ų152129.3 Ų129.371%0.7177%0.771SS**  trans83.9110.9136.3-62.6-168.250.100120.9
650I29.1Very low29.5Very low145 Ų145134.9 Ų134.974%0.74478%0.784SS**  69.6126.478.1-66.5169.7000111.9
651R26.3Very low29.4Very low225 Ų225133.5 Ų133.585%0.84978%0.783SS**  cis-155.2153.828.4-151.1166-153-143.73.7113.5
652P40.7Very low29.2Very low114 Ų114130.2 Ų130.274%0.7478%0.779SS**  trans-101.1175.3171.939.9-36.6000113.9
653L26.4Very low29.2Very low155 Ų155127.8 Ų127.881%0.81278%0.778SS**  trans-166.7129.4148.8-108.4172.4000112.7
654S27.5Very low28.7Very low102 Ų102128.3 Ų128.371%0.71378%0.784SS**  trans56146.4144.5-70.40000122.6
655S26.8Very low28.5Very low99 Ų99128.6 Ų128.669%0.69279%0.786SS**  cis-171.1165.8-5.945.60000113.1
656S27Very low28.5Very low120 Ų120129.6 Ų129.684%0.83979%0.79SS**  trans77.989.3151.1-57.30000120.1
657S30.1Very low28.2Very low113 Ų113128.6 Ų128.679%0.7979%0.785SS**  -142.2133119.1-173.40000109.1
658A26.1Very low28Very low102 Ų102130.8 Ų130.884%0.84379%0.789SS**  trans-105.988.8-171.800000111
659H30.2Very low27.8Very low172 Ų172133.3 Ų133.380%0.79679%0.793SS**  trans-87.9127.9167.7-104.6-90.9000110.8V661H659-V661 PolarHBondContact O-N 3.32Å
660L28.4Very low27.5Very low179 Ų179132.7 Ų132.794%0.93780%0.804SS**  trans-69.9113.2177.4-72.1159.1000110.1
661V27.7Very low27.4Very low138 Ų138130.4 Ų130.484%0.83680%0.8SS**PPolyproline II helixtrans-103.8136171.3177.90000109H659H659-V661 PolarHBondContact O-N 3.32Å
662S25.6Very low27.6Very low106 Ų106125.1 Ų125.174%0.74179%0.789SS**PPolyproline II helixtrans-68.8144.3-163.9-47.30000114.7
663P29.3Very low27.4Very low121 Ų121122.9 Ų122.979%0.78678%0.776SS**PPolyproline II helixtrans-66.7142.8163.330.1-33.7000110.6
664S26.5Very low28.4Very low118 Ų118118.1 Ų118.183%0.82575%0.749SS**PPolyproline II helixtrans-75.1144.3-174.742.60000113.5
665V27.5Very low29.1Very low135 Ų135118.2 Ų118.282%0.81874%0.737SS**PPolyproline II helixtrans-82.9128.8-177.2176.70000111.1
666P26.4Very low30.5Very low117 Ų117117.7 Ų117.776%0.7673%0.731SS**PPolyproline II helixtrans-76.2139.4167.631.7-33.3000111
667S24.4Very low32.6Very low109 Ų109114.8 Ų114.876%0.76270%0.704SS**PPolyproline II helixtrans-78.1123.9-170.431.30000114.6
668S23.8Very low34.6Very low115 Ų115110 Ų11080%0.80467%0.67SS**  trans43.984.5147.661.80000118.4
669L24.9Very low36.8Very low163 Ų163109.2 Ų109.285%0.85365%0.651SS**  trans-131.9134.7155.3-92.6165.1000109.8S671L669-S671 PolarHBondContact O-N 3.12Å
670C23.6Very low38.9Very low138 Ų138103.6 Ų103.693%0.93263%0.626SS**  trans-64.4128.5-166-58.60000113.1
671S25.3Very low41.2Very low97 Ų9795.3 Ų95.368%0.67858%0.583SS**  trans-158.9148.2170.345.50000113.9L669L669-S671 PolarHBondContact O-N 3.12Å
672N31.2Very low43.5Very low115 Ų11592.2 Ų92.262%0.61556%0.558SS**  trans76.324.8153.5-57.7-11.9000122F674 F675N672-F674 VanDerWaalsContact C-N 3.29Å; N672-F675 HydrophobicContact CB-CD2 4.02Å; N672-F675 HydrophobicContact CB-CE2 3.98Å
673S36.4Very low45.7Very low67 Ų6795 Ų9547%0.46956%0.559SS.*THydrogen-bonded Turntrans-73.9-16.4162.956.70000114.3
674F47.1Very low47.7Very low55 Ų5595 Ų9524%0.24155%0.552CS.*THydrogen-bonded Turntrans-85.9-2.9-169.5-78.4-71.9000116.5N672 P676 H677 Q678 L696 M702 I731N672-F674 VanDerWaalsContact C-N 3.29Å; F674-P676 VanDerWaalsContact C-CD 3.49Å; F674-H677 PolarHBondContact O-N 3.48Å; F674-H677 VanDerWaalsContact O-N 3.1Å; F674-Q678 WeakPolarHBondContact O-CG 3.4Å; F674-Q678 PolarHBondContact O-N 2.91Å; F674-L696 HydrophobicContact CB-CD1 4.28Å; F674-L696 HydrophobicContact CD1-CD1 4.26Å; F674-L696 HydrophobicContact CD1-CD2 4.17Å; F674-L696 HydrophobicContact CE1-CD2 4.45Å; F674-M702 HydrophobicContact CD1-SD 4.44Å; F674-M702 HydrophobicContact CE1-CE 3.67Å; F674-M702 HydrophobicContact CE1-SD 3.59Å; F674-M702 VanDerWaalsContact CE1-SD 3.59Å; F674-M702 HydrophobicContact CZ-CE 4.07Å; F674-M702 HydrophobicContact CZ-SD 4.14Å; F674-I731 HydrophobicContact CZ-CD1 3.95Å
675F43.7Very low50Low104 Ų10493.4 Ų93.446%0.45653%0.532SS..Hα-helixtrans-53.9-42.2-176.9-94.4-87.2000115.4N672 H677 Q678 N679N672-F675 HydrophobicContact CB-CD2 4.02Å; N672-F675 HydrophobicContact CB-CE2 3.98Å; F675-H677 VanDerWaalsContact C-N 3.35Å; F675-H677 PolarHBondContact O-N 2.92Å; F675-Q678 PolarHBondContact O-N 3.21Å; F675-N679 PolarHBondContact O-N 3.17Å; F675-N679 VanDerWaalsContact O-N 3.1Å
676P55.8Low52.2Low88 Ų8890.4 Ų90.457%0.57153%0.529SS*.Hα-helixtrans-61.1-43.6176-2334.4000112F674 N679 L680F674-P676 VanDerWaalsContact C-CD 3.49Å; P676-N679 PolarHBondContact O-N 3.29Å; P676-L680 WeakPolarHBondContact O-CB 3.41Å; P676-L680 PolarHBondContact O-N 2.92Å
677H71.3Confident54.9Low59 Ų5986.7 Ų86.727%0.27350%0.502SS..Hα-helixtrans-70.1-36.3180-57.7-54.9000112.2F674 F675 L680 L681 L696 Y705F674-H677 PolarHBondContact O-N 3.48Å; F674-H677 VanDerWaalsContact O-N 3.1Å; F675-H677 VanDerWaalsContact C-N 3.35Å; F675-H677 PolarHBondContact O-N 2.92Å; H677-L680 PolarHBondContact O-N 2.95Å; H677-L681 WeakPolarHBondContact O-CB 3.41Å; H677-L681 WeakPolarHBondContact O-CG 3.46Å; H677-L681 PolarHBondContact O-N 3.06Å; H677-L696 HydrophobicContact CB-CD1 4.23Å; H677-L696 HydrophobicContact CB-CD2 4.26Å; H677-Y705 HydrophobicContact CB-CE1 3.88Å; H677-Y705 AromaticContact CG-CE1 3.65Å; H677-Y705 AromaticContact ND1-CE1 3.4Å; H677-Y705 WeakPolarHBondContact ND1-CE1 3.22Å; H677-Y705 AromaticContact ND1-CZ 3.56Å; H677-Y705 PolarHBondContact ND1-OH 2.95Å
678Q72.2Confident57.5Low13 Ų1385.8 Ų85.86%0.06149%0.489CS..Hα-helixtrans-59.5-46.6171.6-71.2172.941.500111.5F674 F675 L681 K682 N693 L696F674-Q678 WeakPolarHBondContact O-CG 3.4Å; F674-Q678 PolarHBondContact O-N 2.91Å; F675-Q678 PolarHBondContact O-N 3.21Å; Q678-L681 PolarHBondContact O-N 3.15Å; Q678-K682 WeakPolarHBondContact O-CG 3.43Å; Q678-K682 PolarHBondContact O-N 2.81Å; Q678-N693 VanDerWaalsContact CD-OD1 3.27Å; Q678-N693 PolarHBondContact NE2-OD1 3.05Å; Q678-N693 PolarHBondContact OE1-ND2 2.9Å; Q678-L696 HydrophobicContact CB-CD1 4.4Å; Q678-L696 HydrophobicContact CG-CD1 3.52Å
679N71.2Confident60.1Low85 Ų8582.7 Ų82.746%0.45547%0.468SS..Hα-helixtrans-69.4-37.3179-73.1-15.4000112.3F675 P676 K682 Q683F675-N679 PolarHBondContact O-N 3.17Å; F675-N679 VanDerWaalsContact O-N 3.1Å; P676-N679 PolarHBondContact O-N 3.29Å; N679-K682 WeakPolarHBondContact O-CB 3.45Å; N679-K682 PolarHBondContact O-N 2.9Å; N679-Q683 WeakPolarHBondContact O-CB 3.3Å; N679-Q683 PolarHBondContact O-N 3.02Å
680L75.2Confident62.6Low53 Ų5381.5 Ų81.528%0.27746%0.457SS..Hα-helixtrans-63.6-41.7173.9-164.376000111.7P676 H677 Q683 I684 Y705 M709P676-L680 WeakPolarHBondContact O-CB 3.41Å; P676-L680 PolarHBondContact O-N 2.92Å; H677-L680 PolarHBondContact O-N 2.95Å; L680-Q683 PolarHBondContact O-N 3.31Å; L680-I684 HydrophobicContact CD1-CD1 4.03Å; L680-I684 HydrophobicContact CD1-CG1 4.5Å; L680-I684 HydrophobicContact CD2-CD1 4.05Å; L680-I684 HydrophobicContact CG-CD1 3.68Å; L680-I684 HydrophobicContact CG-CG1 4.3Å; L680-I684 WeakPolarHBondContact O-CB 3.25Å; L680-I684 WeakPolarHBondContact O-CG1 3.37Å; L680-I684 PolarHBondContact O-N 3.35Å; L680-Y705 WeakPolarHBondContact CD2-OH 3.39Å; L680-M709 HydrophobicContact CD2-CE 4.26Å; L680-M709 HydrophobicContact CD2-SD 3.99Å
681L75.9Confident65.3Low6 Ų677.2 Ų77.23%0.03143%0.427CS..Hα-helixtrans-68.9-35.8177.4-69.1173.3000112.7H677 Q678 M685 I687 A692 L696 F701 Y705H677-L681 WeakPolarHBondContact O-CB 3.41Å; H677-L681 WeakPolarHBondContact O-CG 3.46Å; H677-L681 PolarHBondContact O-N 3.06Å; Q678-L681 PolarHBondContact O-N 3.15Å; L681-M685 HydrophobicContact CB-CE 4.37Å; L681-M685 HydrophobicContact CD2-CE 3.83Å; L681-M685 HydrophobicContact CD2-SD 4.09Å; L681-M685 WeakPolarHBondContact O-CB 3.27Å; L681-M685 PolarHBondContact O-N 3.43Å; L681-I687 HydrophobicContact CB-CD1 4.26Å; L681-A692 HydrophobicContact CB-CB 4.43Å; L681-L696 HydrophobicContact CD1-CD1 4.03Å; L681-L696 HydrophobicContact CD1-CD2 3.79Å; L681-L696 HydrophobicContact CD1-CG 3.77Å; L681-F701 HydrophobicContact CD1-CE1 3.72Å; L681-F701 HydrophobicContact CD1-CZ 3.97Å; L681-F701 HydrophobicContact CD2-CE1 4.29Å; L681-F701 HydrophobicContact CD2-CZ 3.81Å; L681-Y705 HydrophobicContact CD2-CD2 3.94Å; L681-Y705 HydrophobicContact CD2-CE2 3.68Å; L681-Y705 HydrophobicContact CG-CE2 4.13Å
682K75.6Confident67.9Low72 Ų7272.6 Ų72.631%0.31340%0.395SS..Hα-helixtrans-57.5-49.4167.7-73.8174171.4-175.80111.3Q678 N679 G686 I687 S689Q678-K682 WeakPolarHBondContact O-CG 3.43Å; Q678-K682 PolarHBondContact O-N 2.81Å; N679-K682 WeakPolarHBondContact O-CB 3.45Å; N679-K682 PolarHBondContact O-N 2.9Å; K682-G686 VanDerWaalsContact O-CA 3.31Å; K682-G686 WeakPolarHBondContact O-CA 3.41Å; K682-G686 PolarHBondContact O-N 3.26Å; K682-I687 WeakPolarHBondContact CG-O 3.49Å; K682-S689 VanDerWaalsContact CE-CA 3.47Å; K682-S689 WeakPolarHBondContact CE-OG 3.26Å; K682-S689 PolarHBondContact NZ-OG 3.41Å
683Q72.1Confident70.1Confident164 Ų16470.1 Ų70.177%0.76638%0.381SS*.Hα-helixtrans-70-40.1-174.7-171.3176.26.700113N679 L680N679-Q683 WeakPolarHBondContact O-CB 3.3Å; N679-Q683 PolarHBondContact O-N 3.02Å; L680-Q683 PolarHBondContact O-N 3.31Å
684I71.2Confident72.3Confident121 Ų12172.5 Ų72.562%0.62139%0.385SS*.Hα-helixtrans-82.2-37.7-178.1-65.8179.7000112.2L680L680-I684 HydrophobicContact CD1-CD1 4.03Å; L680-I684 HydrophobicContact CD1-CG1 4.5Å; L680-I684 HydrophobicContact CD2-CD1 4.05Å; L680-I684 HydrophobicContact CG-CD1 3.68Å; L680-I684 HydrophobicContact CG-CG1 4.3Å; L680-I684 WeakPolarHBondContact O-CB 3.25Å; L680-I684 WeakPolarHBondContact O-CG1 3.37Å; L680-I684 PolarHBondContact O-N 3.35Å
685M74.1Confident74Confident85 Ų8572.3 Ų72.342%0.41939%0.387SS..Hα-helixtrans-113.2-1.7-169.9-48.9-166.2-44.400114.6L681 I687 L695 F701L681-M685 HydrophobicContact CB-CE 4.37Å; L681-M685 HydrophobicContact CD2-CE 3.83Å; L681-M685 HydrophobicContact CD2-SD 4.09Å; L681-M685 WeakPolarHBondContact O-CB 3.27Å; L681-M685 PolarHBondContact O-N 3.43Å; M685-I687 HydrophobicContact CB-CG1 4.43Å; M685-I687 HydrophobicContact CB-CG2 4.26Å; M685-I687 HydrophobicContact CE-CD1 3.56Å; M685-I687 HydrophobicContact CE-CG1 4.27Å; M685-I687 PolarHBondContact O-N 2.73Å; M685-I687 VanDerWaalsContact O-N 3.17Å; M685-L695 HydrophobicContact CE-CD1 3.76Å; M685-F701 HydrophobicContact CE-CE2 4.44Å; M685-F701 HydrophobicContact CE-CZ 4.23Å
686G75.6Confident75.9Confident73 Ų7368 Ų6875%0.75337%0.368SS*.  trans66.313.8178.200000115.2K682K682-G686 VanDerWaalsContact O-CA 3.31Å; K682-G686 WeakPolarHBondContact O-CA 3.41Å; K682-G686 PolarHBondContact O-N 3.26Å
687I81.4Confident77.1Confident39 Ų3968.2 Ų68.220%0.237%0.372CS..  trans-83.9157.4-178.762170.1000112.1L681 K682 M685 T691 A692 L695L681-I687 HydrophobicContact CB-CD1 4.26Å; K682-I687 WeakPolarHBondContact CG-O 3.49Å; M685-I687 HydrophobicContact CB-CG1 4.43Å; M685-I687 HydrophobicContact CB-CG2 4.26Å; M685-I687 HydrophobicContact CE-CD1 3.56Å; M685-I687 HydrophobicContact CE-CG1 4.27Å; M685-I687 PolarHBondContact O-N 2.73Å; M685-I687 VanDerWaalsContact O-N 3.17Å; I687-T691 HydrophobicContact CB-CG2 4.05Å; I687-T691 HydrophobicContact CD1-CG2 4.11Å; I687-T691 HydrophobicContact CG2-CG2 4.16Å; I687-A692 HydrophobicContact CD1-CB 3.79Å; I687-A692 HydrophobicContact CG1-CB 4.28Å; I687-L695 HydrophobicContact CD1-CD1 3.67Å
688D80.7Confident77.6Confident89 Ų8967.4 Ų67.448%0.47637%0.37SS..  trans-76.9172174.56559.7000113.4E690 T691 A692D688-E690 VanDerWaalsContact C-N 3.29Å; D688-E690 PolarHBondContact O-N 3.44Å; D688-E690 WeakPolarHBondContact OD1-CA 3.37Å; D688-E690 WeakPolarHBondContact OD1-CB 3.49Å; D688-E690 PolarHBondContact OD1-N 3.43Å; D688-T691 WeakPolarHBondContact OD1-CB 3.48Å; D688-T691 PolarHBondContact OD1-N 2.81Å; D688-T691 PolarHBondContact OD1-OG1 2.96Å; D688-T691 VanDerWaalsContact OD1-OG1 3.05Å; D688-T691 PolarHBondContact OD2-OG1 3.43Å; D688-A692 WeakPolarHBondContact O-CB 3.45Å; D688-A692 PolarHBondContact O-N 3Å
689S76.7Confident77.7Confident51 Ų5171.5 Ų71.536%0.35740%0.397SS..Hα-helixtrans-63.4-31.8-179.9-22.40000113.5K682 N693K682-S689 VanDerWaalsContact CE-CA 3.47Å; K682-S689 WeakPolarHBondContact CE-OG 3.26Å; K682-S689 PolarHBondContact NZ-OG 3.41Å; S689-N693 WeakPolarHBondContact O-CB 3.39Å; S689-N693 PolarHBondContact O-N 3.31Å; S689-N693 PolarHBondContact O-ND2 3.33Å
690E77.8Confident77.9Confident137 Ų13775.7 Ų75.764%0.6441%0.407SS*.Hα-helixtrans-76.7-44.4-175.4-162.1-177.3142.100109.6D688 N693 Q694D688-E690 VanDerWaalsContact C-N 3.29Å; D688-E690 PolarHBondContact O-N 3.44Å; D688-E690 WeakPolarHBondContact OD1-CA 3.37Å; D688-E690 WeakPolarHBondContact OD1-CB 3.49Å; D688-E690 PolarHBondContact OD1-N 3.43Å; E690-N693 CarbonylContact O-C 3.6Å; E690-N693 PolarHBondContact O-N 3.01Å; E690-Q694 WeakPolarHBondContact O-CG 3.11Å; E690-Q694 PolarHBondContact O-N 3.4Å; E690-Q694 PolarHBondContact OE1-NE2 3.17Å
691T79.8Confident78.4Confident49 Ų4975 Ų7530%0.30140%0.401SS..Hα-helixtrans-60.8-43.6171.4-55.30000111.2I687 D688 N693 Q694 L695I687-T691 HydrophobicContact CB-CG2 4.05Å; I687-T691 HydrophobicContact CD1-CG2 4.11Å; I687-T691 HydrophobicContact CG2-CG2 4.16Å; D688-T691 WeakPolarHBondContact OD1-CB 3.48Å; D688-T691 PolarHBondContact OD1-N 2.81Å; D688-T691 PolarHBondContact OD1-OG1 2.96Å; D688-T691 VanDerWaalsContact OD1-OG1 3.05Å; D688-T691 PolarHBondContact OD2-OG1 3.43Å; T691-N693 VanDerWaalsContact C-N 3.33Å; T691-N693 PolarHBondContact O-N 2.76Å; T691-Q694 PolarHBondContact O-N 3.11Å; T691-L695 HydrophobicContact CG2-CD1 4.38Å; T691-L695 WeakPolarHBondContact O-CG 3.36Å; T691-L695 PolarHBondContact O-N 3.23Å
692A81.8Confident78.3Confident0 Ų076.6 Ų76.60%041%0.409CS..Hα-helixtrans-62.4-39.8175.100000112L681 I687 D688 L696L681-A692 HydrophobicContact CB-CB 4.43Å; I687-A692 HydrophobicContact CD1-CB 3.79Å; I687-A692 HydrophobicContact CG1-CB 4.28Å; D688-A692 WeakPolarHBondContact O-CB 3.45Å; D688-A692 PolarHBondContact O-N 3Å; A692-L696 WeakPolarHBondContact O-CB 3.48Å; A692-L696 VanDerWaalsContact O-CG 3.27Å; A692-L696 WeakPolarHBondContact O-CG 3.47Å; A692-L696 PolarHBondContact O-N 2.92Å
693N77.5Confident78.2Confident62 Ų6279.2 Ų79.233%0.33242%0.422SS..Hα-helixtrans-68.1-39.6173.3-83.6-66.3000112.6Q678 S689 E690 T691 L696 S697Q678-N693 VanDerWaalsContact CD-OD1 3.27Å; Q678-N693 PolarHBondContact NE2-OD1 3.05Å; Q678-N693 PolarHBondContact OE1-ND2 2.9Å; S689-N693 WeakPolarHBondContact O-CB 3.39Å; S689-N693 PolarHBondContact O-N 3.31Å; S689-N693 PolarHBondContact O-ND2 3.33Å; E690-N693 CarbonylContact O-C 3.6Å; E690-N693 PolarHBondContact O-N 3.01Å; T691-N693 VanDerWaalsContact C-N 3.33Å; T691-N693 PolarHBondContact O-N 2.76Å; N693-L696 PolarHBondContact O-N 3.38Å; N693-S697 VanDerWaalsContact O-CB 3.28Å; N693-S697 WeakPolarHBondContact O-CB 3.45Å; N693-S697 PolarHBondContact O-N 3.35Å; N693-S697 PolarHBondContact O-OG 2.92Å
694Q81.4Confident78.4Confident118 Ų11876.5 Ų76.555%0.55141%0.413SS*.Hα-helixtrans-63.9-39.9175.8-73.3177.138.800111.8E690 T691 S697 D698E690-Q694 WeakPolarHBondContact O-CG 3.11Å; E690-Q694 PolarHBondContact O-N 3.4Å; E690-Q694 PolarHBondContact OE1-NE2 3.17Å; T691-Q694 PolarHBondContact O-N 3.11Å; Q694-S697 WeakPolarHBondContact O-CB 3.19Å; Q694-S697 PolarHBondContact O-N 2.86Å; Q694-D698 PolarHBondContact O-N 3.34Å
695L83.4Confident78.6Confident51 Ų5171.8 Ų71.827%0.26739%0.387SS..Hα-helixtrans-67.8-47174.8-70.7175.5000112M685 I687 T691 S697 D698 F701M685-L695 HydrophobicContact CE-CD1 3.76Å; I687-L695 HydrophobicContact CD1-CD1 3.67Å; T691-L695 HydrophobicContact CG2-CD1 4.38Å; T691-L695 WeakPolarHBondContact O-CG 3.36Å; T691-L695 PolarHBondContact O-N 3.23Å; L695-S697 PolarHBondContact O-N 3.18Å; L695-D698 PolarHBondContact O-N 2.88Å; L695-F701 HydrophobicContact CB-CD1 3.76Å; L695-F701 HydrophobicContact CB-CD2 4.17Å; L695-F701 HydrophobicContact CB-CE1 3.85Å; L695-F701 HydrophobicContact CB-CE2 4.24Å; L695-F701 HydrophobicContact CB-CG 3.93Å; L695-F701 HydrophobicContact CB-CZ 4.09Å; L695-F701 HydrophobicContact CD1-CE2 4.05Å; L695-F701 HydrophobicContact CD1-CZ 4.19Å; L695-F701 HydrophobicContact CD2-CD2 3.92Å; L695-F701 HydrophobicContact CD2-CE2 4.27Å; L695-F701 HydrophobicContact CD2-CG 4.26Å; L695-F701 HydrophobicContact CG-CD2 4.43Å; L695-F701 HydrophobicContact CG-CE2 4.44Å; L695-F701 WeakPolarHBondContact O-CB 3.45Å; L695-F701 VanDerWaalsContact O-CD1 3.27Å; L695-F701 WeakPolarHBondContact O-CD1 3.48Å
696L83.2Confident78.4Confident13 Ų1370.2 Ų70.27%0.06839%0.388CS..Hα-helixtrans-66.3-14.1174.1-66.4168.2000113.1F674 H677 Q678 L681 A692 N693 F701 M702 Y705F674-L696 HydrophobicContact CB-CD1 4.28Å; F674-L696 HydrophobicContact CD1-CD1 4.26Å; F674-L696 HydrophobicContact CD1-CD2 4.17Å; F674-L696 HydrophobicContact CE1-CD2 4.45Å; H677-L696 HydrophobicContact CB-CD1 4.23Å; H677-L696 HydrophobicContact CB-CD2 4.26Å; Q678-L696 HydrophobicContact CB-CD1 4.4Å; Q678-L696 HydrophobicContact CG-CD1 3.52Å; L681-L696 HydrophobicContact CD1-CD1 4.03Å; L681-L696 HydrophobicContact CD1-CD2 3.79Å; L681-L696 HydrophobicContact CD1-CG 3.77Å; A692-L696 WeakPolarHBondContact O-CB 3.48Å; A692-L696 VanDerWaalsContact O-CG 3.27Å; A692-L696 WeakPolarHBondContact O-CG 3.47Å; A692-L696 PolarHBondContact O-N 2.92Å; N693-L696 PolarHBondContact O-N 3.38Å; L696-F701 HydrophobicContact CD2-CE1 4.34Å; L696-M702 HydrophobicContact CB-SD 4.35Å; L696-M702 HydrophobicContact CD2-SD 3.45Å; L696-M702 WeakPolarHBondContact CD2-SD 3.4Å; L696-M702 WeakPolarHBondContact O-CG 3.47Å; L696-Y705 HydrophobicContact CD2-CD1 4.43Å
697S80.1Confident78.2Confident93 Ų9371.8 Ų71.865%0.6538%0.378SS*.THydrogen-bonded Turntrans-87-13.5170.9-59.10000113.7N693 Q694 L695 P699N693-S697 VanDerWaalsContact O-CB 3.28Å; N693-S697 WeakPolarHBondContact O-CB 3.45Å; N693-S697 PolarHBondContact O-N 3.35Å; N693-S697 PolarHBondContact O-OG 2.92Å; Q694-S697 WeakPolarHBondContact O-CB 3.19Å; Q694-S697 PolarHBondContact O-N 2.86Å; L695-S697 PolarHBondContact O-N 3.18Å; S697-P699 WeakPolarHBondContact O-CD 3.36Å
698D83.1Confident77.6Confident42 Ų4273.1 Ų73.123%0.22539%0.389CS..SBendtrans-86.7115.6174.5-169.9-39.2000109.7Q694 L695 R700 F701 M702Q694-D698 PolarHBondContact O-N 3.34Å; L695-D698 PolarHBondContact O-N 2.88Å; D698-R700 PolarHBondContact O-N 2.68Å; D698-R700 VanDerWaalsContact OD1-CB 3.23Å; D698-R700 WeakPolarHBondContact OD1-CB 3.39Å; D698-R700 VanDerWaalsContact OD1-CG 3.31Å; D698-R700 WeakPolarHBondContact OD1-CG 3.39Å; D698-R700 IonicContact OD1-CZ 3.33Å; D698-R700 PolarHBondContact OD1-N 3.04Å; D698-R700 IonicContact OD1-NE 3.21Å; D698-R700 PolarHBondContact OD1-NE 3.3Å; D698-R700 IonicContact OD1-NH2 3.28Å; D698-R700 IonicContact OD2-CZ 2.62Å; D698-R700 IonicContact OD2-NE 3.85Å; D698-R700 PolarHBondContact OD2-NE 2.93Å; D698-R700 IonicContact OD2-NH2 2.67Å; D698-R700 PolarHBondContact OD2-NH2 2.84Å; D698-F701 HydrophobicContact CB-CB 4.08Å; D698-F701 PolarHBondContact O-N 2.83Å; D698-F701 VanDerWaalsContact O-N 3.08Å; D698-M702 PolarHBondContact O-N 2.8Å
699P73.8Confident77Confident98 Ų9872 Ų7264%0.63638%0.382SS*.Hα-helixtrans-57.4-27.4-178.5-25.935.7000113.8S697 E703S697-P699 WeakPolarHBondContact O-CD 3.36Å; P699-E703 WeakPolarHBondContact O-CB 3.36Å; P699-E703 PolarHBondContact O-N 3.34Å
700R75Confident75.9Confident174 Ų17471.7 Ų71.766%0.65738%0.382SS*.Hα-helixtrans-76.5-37.4-179.3-50.9170.6-66.3164.62.3111.6D698 L704D698-R700 PolarHBondContact O-N 2.68Å; D698-R700 VanDerWaalsContact OD1-CB 3.23Å; D698-R700 WeakPolarHBondContact OD1-CB 3.39Å; D698-R700 VanDerWaalsContact OD1-CG 3.31Å; D698-R700 WeakPolarHBondContact OD1-CG 3.39Å; D698-R700 IonicContact OD1-CZ 3.33Å; D698-R700 PolarHBondContact OD1-N 3.04Å; D698-R700 IonicContact OD1-NE 3.21Å; D698-R700 PolarHBondContact OD1-NE 3.3Å; D698-R700 IonicContact OD1-NH2 3.28Å; D698-R700 IonicContact OD2-CZ 2.62Å; D698-R700 IonicContact OD2-NE 3.85Å; D698-R700 PolarHBondContact OD2-NE 2.93Å; D698-R700 IonicContact OD2-NH2 2.67Å; D698-R700 PolarHBondContact OD2-NH2 2.84Å; R700-L704 WeakPolarHBondContact O-CB 3.13Å; R700-L704 PolarHBondContact O-N 3.45Å; R700-L704 VanDerWaalsContact O-N 3.12Å
701F85.7Confident74.8Confident38 Ų3869.8 Ų69.817%0.16738%0.379CS..Hα-helixtrans-70.5-40.7172.7-179.6-86.2000109.9L681 M685 L695 L696 D698 E703 L704 Y705L681-F701 HydrophobicContact CD1-CE1 3.72Å; L681-F701 HydrophobicContact CD1-CZ 3.97Å; L681-F701 HydrophobicContact CD2-CE1 4.29Å; L681-F701 HydrophobicContact CD2-CZ 3.81Å; M685-F701 HydrophobicContact CE-CE2 4.44Å; M685-F701 HydrophobicContact CE-CZ 4.23Å; L695-F701 HydrophobicContact CB-CD1 3.76Å; L695-F701 HydrophobicContact CB-CD2 4.17Å; L695-F701 HydrophobicContact CB-CE1 3.85Å; L695-F701 HydrophobicContact CB-CE2 4.24Å; L695-F701 HydrophobicContact CB-CG 3.93Å; L695-F701 HydrophobicContact CB-CZ 4.09Å; L695-F701 HydrophobicContact CD1-CE2 4.05Å; L695-F701 HydrophobicContact CD1-CZ 4.19Å; L695-F701 HydrophobicContact CD2-CD2 3.92Å; L695-F701 HydrophobicContact CD2-CE2 4.27Å; L695-F701 HydrophobicContact CD2-CG 4.26Å; L695-F701 HydrophobicContact CG-CD2 4.43Å; L695-F701 HydrophobicContact CG-CE2 4.44Å; L695-F701 WeakPolarHBondContact O-CB 3.45Å; L695-F701 VanDerWaalsContact O-CD1 3.27Å; L695-F701 WeakPolarHBondContact O-CD1 3.48Å; L696-F701 HydrophobicContact CD2-CE1 4.34Å; D698-F701 HydrophobicContact CB-CB 4.08Å; D698-F701 PolarHBondContact O-N 2.83Å; D698-F701 VanDerWaalsContact O-N 3.08Å; F701-E703 PolarHBondContact O-N 2.84Å; F701-L704 PolarHBondContact O-N 3.2Å; F701-Y705 HydrophobicContact CE1-CD2 4.36Å; F701-Y705 HydrophobicContact CE1-CG 4.33Å; F701-Y705 WeakPolarHBondContact O-CB 3.34Å; F701-Y705 PolarHBondContact O-N 3.01Å
702M74.6Confident73.5Confident40 Ų4072.3 Ų72.320%0.19739%0.391CS..Hα-helixtrans-60.4-41.5173.2-86.9-57.6-48.300113.5F674 L696 D698 A706F674-M702 HydrophobicContact CD1-SD 4.44Å; F674-M702 HydrophobicContact CE1-CE 3.67Å; F674-M702 HydrophobicContact CE1-SD 3.59Å; F674-M702 VanDerWaalsContact CE1-SD 3.59Å; F674-M702 HydrophobicContact CZ-CE 4.07Å; F674-M702 HydrophobicContact CZ-SD 4.14Å; L696-M702 HydrophobicContact CB-SD 4.35Å; L696-M702 HydrophobicContact CD2-SD 3.45Å; L696-M702 WeakPolarHBondContact CD2-SD 3.4Å; L696-M702 WeakPolarHBondContact O-CG 3.47Å; D698-M702 PolarHBondContact O-N 2.8Å; M702-A706 VanDerWaalsContact O-CB 3.26Å; M702-A706 WeakPolarHBondContact O-CB 3.36Å; M702-A706 PolarHBondContact O-N 3.47Å
703E73Confident71.5Confident126 Ų12675.8 Ų75.859%0.58942%0.415SS*.Hα-helixtrans-60.4-49.1173.8-177.8178.2-155.500111.3P699 F701 L707P699-E703 WeakPolarHBondContact O-CB 3.36Å; P699-E703 PolarHBondContact O-N 3.34Å; F701-E703 PolarHBondContact O-N 2.84Å; E703-L707 HydrophobicContact CG-CD1 4.32Å; E703-L707 WeakPolarHBondContact O-CB 3.37Å; E703-L707 WeakPolarHBondContact O-CG 3.37Å; E703-L707 PolarHBondContact O-N 3.04Å
704L75.5Confident69.6Low108 Ų10879.2 Ų79.257%0.56543%0.433SS*.Hα-helixtrans-64.7-42.2178-173.866.8000112.3R700 F701 L707 T708R700-L704 WeakPolarHBondContact O-CB 3.13Å; R700-L704 PolarHBondContact O-N 3.45Å; R700-L704 VanDerWaalsContact O-N 3.12Å; F701-L704 PolarHBondContact O-N 3.2Å; L704-L707 WeakPolarHBondContact O-CB 3.27Å; L704-L707 PolarHBondContact O-N 2.93Å; L704-T708 PolarHBondContact O-N 3.05Å; L704-T708 PolarHBondContact O-OG1 2.87Å; L704-T708 VanDerWaalsContact O-OG1 3.05Å
705Y77Confident67.5Low21 Ų2177.7 Ų77.78%0.08244%0.436CS..Hα-helixtrans-65.7-43.6179.2-178.8-102.4000111.5H677 L680 L681 L696 F701 T708 M709H677-Y705 HydrophobicContact CB-CE1 3.88Å; H677-Y705 AromaticContact CG-CE1 3.65Å; H677-Y705 AromaticContact ND1-CE1 3.4Å; H677-Y705 WeakPolarHBondContact ND1-CE1 3.22Å; H677-Y705 AromaticContact ND1-CZ 3.56Å; H677-Y705 PolarHBondContact ND1-OH 2.95Å; L680-Y705 WeakPolarHBondContact CD2-OH 3.39Å; L681-Y705 HydrophobicContact CD2-CD2 3.94Å; L681-Y705 HydrophobicContact CD2-CE2 3.68Å; L681-Y705 HydrophobicContact CG-CE2 4.13Å; L696-Y705 HydrophobicContact CD2-CD1 4.43Å; F701-Y705 HydrophobicContact CE1-CD2 4.36Å; F701-Y705 HydrophobicContact CE1-CG 4.33Å; F701-Y705 WeakPolarHBondContact O-CB 3.34Å; F701-Y705 PolarHBondContact O-N 3.01Å; Y705-T708 PolarHBondContact O-N 3.3Å; Y705-M709 HydrophobicContact CD1-CG 4.25Å; Y705-M709 HydrophobicContact CD2-CG 4.46Å; Y705-M709 HydrophobicContact CE1-CG 3.83Å; Y705-M709 HydrophobicContact CE2-CG 4.06Å; Y705-M709 HydrophobicContact CE2-SD 4.17Å; Y705-M709 WeakPolarHBondContact O-CB 3.32Å; Y705-M709 WeakPolarHBondContact O-CG 3.4Å; Y705-M709 PolarHBondContact O-N 3.12Å
706A69.3Low65.3Low53 Ų5378.9 Ų78.944%0.43845%0.445SS..Hα-helixtrans-63.1-40.5174.300000112M702 A710M702-A706 VanDerWaalsContact O-CB 3.26Å; M702-A706 WeakPolarHBondContact O-CB 3.36Å; M702-A706 PolarHBondContact O-N 3.47Å; A706-A710 VanDerWaalsContact O-CB 3.22Å; A706-A710 WeakPolarHBondContact O-CB 3.31Å; A706-A710 PolarHBondContact O-N 2.85Å
707L70.2Confident62.7Low105 Ų10586.7 Ų86.755%0.5549%0.487SS..Hα-helixtrans-61.2-46.1172.8-83.3162000112.2E703 L704 A710 T711E703-L707 HydrophobicContact CG-CD1 4.32Å; E703-L707 WeakPolarHBondContact O-CB 3.37Å; E703-L707 WeakPolarHBondContact O-CG 3.37Å; E703-L707 PolarHBondContact O-N 3.04Å; L704-L707 WeakPolarHBondContact O-CB 3.27Å; L704-L707 PolarHBondContact O-N 2.93Å; L707-A710 PolarHBondContact O-N 3.26Å; L707-T711 WeakPolarHBondContact O-CB 3.23Å; L707-T711 PolarHBondContact O-N 3.39Å; L707-T711 PolarHBondContact O-OG1 3.16Å
708T69.8Low60.4Low68 Ų6885.7 Ų85.742%0.41749%0.491SS..Hα-helixtrans-62.1-49.2176.8-60.90000111.4L704 Y705 A710 T711 L712L704-T708 PolarHBondContact O-N 3.05Å; L704-T708 PolarHBondContact O-OG1 2.87Å; L704-T708 VanDerWaalsContact O-OG1 3.05Å; Y705-T708 PolarHBondContact O-N 3.3Å; T708-A710 VanDerWaalsContact C-N 3.34Å; T708-A710 PolarHBondContact O-N 2.96Å; T708-T711 PolarHBondContact O-N 3.06Å; T708-T711 VanDerWaalsContact O-N 3.14Å; T708-L712 HydrophobicContact CG2-CD1 4.06Å; T708-L712 WeakPolarHBondContact O-CG 3.46Å; T708-L712 PolarHBondContact O-N 2.9Å
709M67.1Low58Low66 Ų6686.3 Ų86.333%0.32550%0.496SS..Hα-helixtrans-63.3-38178.9-68-54.6-55.100112.4L680 Y705 T711 L712 S713L680-M709 HydrophobicContact CD2-CE 4.26Å; L680-M709 HydrophobicContact CD2-SD 3.99Å; Y705-M709 HydrophobicContact CD1-CG 4.25Å; Y705-M709 HydrophobicContact CD2-CG 4.46Å; Y705-M709 HydrophobicContact CE1-CG 3.83Å; Y705-M709 HydrophobicContact CE2-CG 4.06Å; Y705-M709 HydrophobicContact CE2-SD 4.17Å; Y705-M709 WeakPolarHBondContact O-CB 3.32Å; Y705-M709 WeakPolarHBondContact O-CG 3.4Å; Y705-M709 PolarHBondContact O-N 3.12Å; M709-T711 VanDerWaalsContact C-N 3.35Å; M709-L712 PolarHBondContact O-N 3Å; M709-L712 HydrophobicContact SD-CD1 4.35Å; M709-S713 PolarHBondContact O-N 3.42Å; M709-S713 PolarHBondContact O-OG 2.85Å
710A54.2Low56Low43 Ų4385 Ų8536%0.35549%0.487SS..Hα-helixtrans-70.2-30174.700000112.9A706 L707 T708 S713 N714A706-A710 VanDerWaalsContact O-CB 3.22Å; A706-A710 WeakPolarHBondContact O-CB 3.31Å; A706-A710 PolarHBondContact O-N 2.85Å; L707-A710 PolarHBondContact O-N 3.26Å; T708-A710 VanDerWaalsContact C-N 3.34Å; T708-A710 PolarHBondContact O-N 2.96Å; A710-S713 WeakPolarHBondContact CA-OG 3.28Å; A710-S713 PolarHBondContact O-OG 3.08Å; A710-S713 VanDerWaalsContact O-OG 3.12Å; A710-N714 WeakPolarHBondContact O-CB 3.24Å; A710-N714 PolarHBondContact O-N 3.47Å; A710-N714 PolarHBondContact O-ND2 2.98Å; A710-N714 VanDerWaalsContact O-ND2 3.13Å; A710-N714 PolarHBondContact O-OD1 3.45Å
711T56Low53.9Low97 Ų9783.4 Ų83.460%0.59549%0.492SS*.Hα-helixtrans-70.3-40.2173.9-54.20000110.5L707 T708 M709L707-T711 WeakPolarHBondContact O-CB 3.23Å; L707-T711 PolarHBondContact O-N 3.39Å; L707-T711 PolarHBondContact O-OG1 3.16Å; T708-T711 PolarHBondContact O-N 3.06Å; T708-T711 VanDerWaalsContact O-N 3.14Å; M709-T711 VanDerWaalsContact C-N 3.35Å
712L50.8Low51.4Low102 Ų10286.6 Ų86.653%0.53452%0.519SS..Hα-helixtrans-70-35.5175.4-67.8168.9000113.2T708 M709 N714 S715T708-L712 HydrophobicContact CG2-CD1 4.06Å; T708-L712 WeakPolarHBondContact O-CG 3.46Å; T708-L712 PolarHBondContact O-N 2.9Å; M709-L712 PolarHBondContact O-N 3Å; M709-L712 HydrophobicContact SD-CD1 4.35Å; L712-N714 VanDerWaalsContact C-N 3.33Å; L712-S715 PolarHBondContact O-OG 3.02Å
713S40.1Very low49.5Very low74 Ų7490.2 Ų90.252%0.51754%0.538SS..Hα-helixtrans-70.9-30.6176.5660000112.8M709 A710 S715M709-S713 PolarHBondContact O-N 3.42Å; M709-S713 PolarHBondContact O-OG 2.85Å; A710-S713 WeakPolarHBondContact CA-OG 3.28Å; A710-S713 PolarHBondContact O-OG 3.08Å; A710-S713 VanDerWaalsContact O-OG 3.12Å; S713-S715 PolarHBondContact O-N 3.23Å
714N37.8Very low47.5Very low133 Ų13389.7 Ų89.771%0.71154%0.539SS*.THydrogen-bonded Turntrans-84.17.3-177.1-66.3-9.7000113.6A710 L712A710-N714 WeakPolarHBondContact O-CB 3.24Å; A710-N714 PolarHBondContact O-N 3.47Å; A710-N714 PolarHBondContact O-ND2 2.98Å; A710-N714 VanDerWaalsContact O-ND2 3.13Å; A710-N714 PolarHBondContact O-OD1 3.45Å; L712-N714 VanDerWaalsContact C-N 3.33Å
715S38.4Very low45.4Very low87 Ų8789.8 Ų89.861%0.60855%0.546SS*.THydrogen-bonded Turntrans-11022.4176.361.70000113.5L712 S713L712-S715 PolarHBondContact O-OG 3.02Å; S713-S715 PolarHBondContact O-N 3.23Å
716V36Very low43.1Very low76 Ų7694 Ų9446%0.46158%0.576SS.*  trans-127.156.4-171.7-161.40000112.2G718 V719V716-G718 PolarHBondContact O-N 2.93Å; V716-V719 HydrophobicContact CG1-CB 4.15Å; V716-V719 HydrophobicContact CG1-CG2 3.58Å
717D29.4Very low41.3Very low177 Ų17797.3 Ų97.395%0.94759%0.593SS**THydrogen-bonded Turntrans-67.990.2167.3-82.9-43.6000110.1
718G31.8Very low39.6Very low71 Ų7197.4 Ų97.473%0.73260%0.597SS**THydrogen-bonded Turntrans160.1-13.8172.600000118V716V716-G718 PolarHBondContact O-N 2.93Å
719V32.8Very low37.6Very low55 Ų5599.9 Ų99.933%0.33362%0.618SS.*  trans-90.6129.8-178.4174.50000110.8V716 L724V716-V719 HydrophobicContact CG1-CB 4.15Å; V716-V719 HydrophobicContact CG1-CG2 3.58Å; V719-L724 HydrophobicContact CG1-CD1 4.28Å
720P31.1Very low35.7Very low70 Ų70100 Ų10046%0.45564%0.635SS.*  trans-70.9148.2178.328.6-34.9000112.9S722P720-S722 PolarHBondContact O-N 2.77Å
721D30.6Very low34.4Very low142 Ų142102.6 Ų102.676%0.75964%0.642SS**THydrogen-bonded Turntrans-55.8-2.8-175.4-68.7-40.1000116.6
722S34.4Very low32.9Very low104 Ų104103.5 Ų103.573%0.72765%0.652SS**THydrogen-bonded Turntrans-93.8-5.8-172.254.40000115.5P720P720-S722 PolarHBondContact O-N 2.77Å
723I34.2Very low31.9Very low116 Ų116105.2 Ų105.260%0.59566%0.662SS**SBendtrans-117-22.1-172.9-55.9-178.8000112.8
724L30.9Very low31.3Very low116 Ų116107.8 Ų107.861%0.60768%0.676SS**SBendtrans-86.7135.4179.1-76.9161.3000111.7V719V719-L724 HydrophobicContact CG1-CD1 4.28Å
725P31.7Very low30.8Very low110 Ų110107.9 Ų107.971%0.71468%0.677SS**PPolyproline II helixtrans-66.1141.8172.628.7-33.9000110.2
726P29.2Very low30.4Very low110 Ų110113.3 Ų113.371%0.71469%0.692SS**PPolyproline II helixtrans-64.3143.1-173.325.7-34.8000111.8V728P726-V728 PolarHBondContact O-N 3.36Å
727P30.7Very low30Very low122 Ų122113 Ų11379%0.79270%0.698SS**PPolyproline II helixtrans-60.2128.4176.125.6-33.8000109.9S729P727-S729 PolarHBondContact O-N 3.48Å
728V35.4Very low29.9Very low106 Ų106111.9 Ų111.964%0.64269%0.692SS**  trans-65.6107.1-172.2179.60000110.6P726 G730P726-V728 PolarHBondContact O-N 3.36Å; V728-G730 PolarHBondContact O-N 3.21Å
729S27.3Very low29.7Very low121 Ų121114.8 Ų114.885%0.84670%0.695SS**  trans-60.4107177.5-64.60000112.1P727P727-S729 PolarHBondContact O-N 3.48Å
730G27Very low29.3Very low67 Ų67118.9 Ų118.969%0.69171%0.714SS**  trans68.678.9158.100000116.8V728 S732V728-G730 PolarHBondContact O-N 3.21Å; G730-S732 PolarHBondContact O-N 2.95Å; G730-S732 VanDerWaalsContact O-N 3.14Å
731I26.5Very low29.2Very low99 Ų99122.9 Ų122.951%0.50873%0.73SS.*  trans-69.8104.8153.2-59.3179.3000107.6F674 L733F674-I731 HydrophobicContact CZ-CD1 3.95Å; I731-L733 HydrophobicContact CG2-CD1 3.99Å; I731-L733 PolarHBondContact O-N 2.65Å; I731-L733 VanDerWaalsContact O-N 3.14Å
732S24.4Very low28.8Very low115 Ų115120.9 Ų120.980%0.80473%0.727SS**  trans-79.190-179.546.80000111.9G730G730-S732 PolarHBondContact O-N 2.95Å; G730-S732 VanDerWaalsContact O-N 3.14Å
733L29.7Very low28.5Very low139 Ų139122 Ų12273%0.72873%0.73SS**PPolyproline II helixtrans-70.2145.2168.2-75.792.2000111.1I731I731-L733 HydrophobicContact CG2-CD1 3.99Å; I731-L733 PolarHBondContact O-N 2.65Å; I731-L733 VanDerWaalsContact O-N 3.14Å
734P28.9Very low28.1Very low128 Ų128121.9 Ų121.983%0.83174%0.739SS**PPolyproline II helixtrans-63.6139.6178.6-22.433.8000113.4
735N26.8Very low27.9Very low135 Ų135122.4 Ų122.472%0.72275%0.747SS**PPolyproline II helixtrans-67129.1-177.5-97.7-45.8000113.9
736H30.8Very low27.6Very low200 Ų200124.1 Ų124.193%0.92675%0.75SS**  trans-133.6123.6135.3-86.2-70.1000108.4
737A27.2Very low27.6Very low71 Ų71123.3 Ų123.359%0.58775%0.747SS**  trans-92.3147.7-154.800000114.9
738N26.4Very low27.4Very low153 Ų153122.1 Ų122.182%0.81874%0.742SS**  -179147.4105.9-90.3-36.1000112.6
739T28.4Very low27.1Very low131 Ų131123.2 Ų123.280%0.80474%0.744SS**  trans78.890-178.5-280000114.6
740I24.6Very low27.2Very low141 Ų141125.8 Ų125.872%0.72374%0.743SS**  trans-101136.3166.4-63.3170.5000108
741I27.6Very low27.1Very low154 Ų154128.9 Ų128.979%0.7974%0.743SS**  trans-126.3118.3160.5-62.5179.4000106.6
742S23.4Very low27.3Very low101 Ų101130.5 Ų130.571%0.70675%0.752SS**  trans-92.1130.3-175.7-54.80000111.4
743T28.2Very low27.4Very low128 Ų128132 Ų13279%0.78575%0.751SS**  trans-127.98916251.60000109.3V745T743-V745 PolarHBondContact O-N 2.99Å
744S24.4Very low27.4Very low113 Ų113130.1 Ų130.179%0.7975%0.749SS**  trans-72.2118.3169.251.50000109.9
745V28.5Very low27.2Very low127 Ų127128.8 Ų128.877%0.7774%0.743SS**  trans-103.7108.6165.6-171.60000107.2T743T743-V745 PolarHBondContact O-N 2.99Å
746N24.9Very low27.3Very low145 Ų145127.7 Ų127.778%0.77575%0.746SS**  trans-101.585.2-175.4-17328.5000109.6S748N746-S748 VanDerWaalsContact C-N 3.32Å; N746-S748 PolarHBondContact O-N 3.25Å
747S28.7Very low27.1Very low94 Ų94125.4 Ų125.466%0.65774%0.736SS**  trans-78.476.3-176.2-60.10000112.1N749S747-N749 VanDerWaalsContact C-N 3.26Å; S747-N749 PolarHBondContact O-N 2.81Å
748S27.2Very low27.1Very low97 Ų97129.8 Ų129.868%0.67874%0.742SS**  trans-75.872.7172.760.40000111.6N746 Q750N746-S748 VanDerWaalsContact C-N 3.32Å; N746-S748 PolarHBondContact O-N 3.25Å; S748-Q750 PolarHBondContact O-N 2.66Å
749N28.4Very low27.2Very low129 Ų129133.2 Ų133.269%0.6974%0.743SS**  trans-70.987.8172.2-89.4-7.3000110.5S747 N751S747-N749 VanDerWaalsContact C-N 3.26Å; S747-N749 PolarHBondContact O-N 2.81Å; N749-N751 PolarHBondContact O-N 2.98Å
750Q29.2Very low27.2Very low175 Ų175134.9 Ų134.982%0.81875%0.748SS**  trans-74.9111.6160.1-79.7-151.7-9.300109.9S748 I752S748-Q750 PolarHBondContact O-N 2.66Å; Q750-I752 PolarHBondContact O-N 2.88Å
751N25.9Very low27.4Very low131 Ų131131.1 Ų131.170%0.70174%0.744SS**  trans-67.5115.1168.8169.617.8000111N749N749-N751 PolarHBondContact O-N 2.98Å
752I30.2Very low27.4Very low134 Ų134131.3 Ų131.369%0.68775%0.746SS**  trans-136.7126.5150.1-78.3102.7000108.5Q750Q750-I752 PolarHBondContact O-N 2.88Å
753N26.2Very low27.7Very low145 Ų145132.3 Ų132.378%0.77575%0.748SS**  trans-84.4119.8167.4-74.6-60.9000110.7
754S29.3Very low27.8Very low100 Ų100131.5 Ų131.570%0.69975%0.754SS**  trans-154.3114.9151.9-79.40000106.5
755S25.3Very low28Very low101 Ų101129 Ų12971%0.70675%0.746SS**  cis70.2121.749.496.60000113
756S28.6Very low28Very low112 Ų112131.9 Ų131.978%0.78375%0.751SS**  trans64.6157.9-176.784.60000116.1
757Q27Very low28.2Very low151 Ų151129.1 Ų129.171%0.70674%0.743SS**  cis-161.3-179.1-26.3-112179.410.900108.2
758F27Very low28.3Very low164 Ų164135 Ų13572%0.71975%0.751SS**  trans67.7110171.9-55.2-73.1000116.4
759R29.2Very low28.4Very low224 Ų224136.2 Ų136.285%0.84575%0.754SS**  63.9104.875-73.7-167174.8-156.60.9114.1
760N27.8Very low28.7Very low167 Ų167135.4 Ų135.489%0.89375%0.754SS**  -167.7134126-95.9-25.9000109
761G28.6Very low28.6Very low62 Ų62134.5 Ų134.564%0.63976%0.755SS**  cis179.7176.3-6.300000110.4
762N27.8Very low29Very low157 Ų157133.4 Ų133.484%0.8476%0.755SS**  trans-160149.8159.9-124-14.2000112.3
763T29.8Very low28.8Very low123 Ų123131.8 Ų131.876%0.75576%0.756SS**  trans50.3117.216350.10000120.1
764A29.4Very low29Very low110 Ų110132.8 Ų132.891%0.90976%0.756SS**  trans57.5132.2150.500000119.4
765G28.9Very low28.9Very low61 Ų61138.3 Ų138.363%0.62977%0.767SS**  cis139.2142.9-0.800000111
766H29.3Very low29.1Very low187 Ų187136.5 Ų136.587%0.86677%0.765SS**  trans65.1143.6-173.9-54.7-64.3000113.8
767S29.4Very low29Very low87 Ų87139.7 Ų139.761%0.60877%0.767SS**  cis-159.3156.2-7.5-112.80000110.2
768R29.2Very low29.1Very low219 Ų219138.8 Ų138.883%0.82677%0.772SS**  trans54.5122145-71.9-174.1171.8-169.5-3.3120.4
769T30.6Very low29.3Very low121 Ų121135.5 Ų135.574%0.74277%0.77SS**  58.2149126.666.40000121.5
770T33.9Very low29.4Very low113 Ų113132.9 Ų132.969%0.69377%0.771SS**  cis-170.3123.8-17.2-89.10000106.2
771D26.9Very low29.6Very low155 Ų155129.4 Ų129.483%0.82976%0.76SS**  trans53.3169.5161-82.8-27.2000120
772P33.8Very low29.7Very low108 Ų108135.2 Ų135.270%0.70177%0.77SS**  trans-129-158.6-150.745.5-31.1000114.1
773S26.8Very low29.9Very low101 Ų101133.1 Ų133.171%0.70677%0.767SS**  trans91.1152.1164.283.30000117.9
774Q30.5Very low29.9Very low165 Ų165130.4 Ų130.477%0.77176%0.764SS**  trans73.3109.2167.7-53.7-169.13400119.4
775F26.4Very low30.1Very low216 Ų216133.8 Ų133.895%0.94776%0.761SS**  47.5152123.2-69.6-80.1000122.4
776G29.7Very low30Very low63 Ų63139.1 Ų139.165%0.64977%0.769SS**  trans100.889.1-179.100000110.8
777E27.1Very low29.9Very low180 Ų180135.2 Ų135.284%0.84176%0.758SS**  51.9106.579.7-58.1-170.4170.300113.7
778T29.6Very low29.9Very low132 Ų132137.7 Ų137.781%0.8177%0.765SS**  179.3155.7107.828.20000114
779S31.8Very low29.6Very low95 Ų95134.4 Ų134.466%0.66476%0.763SS**  trans65.4105.4153.848.50000122.6
780L29.5Very low29.4Very low168 Ų168133.4 Ų133.488%0.8876%0.761SS**  65.2143.3127-81.674.9000120.6
781S32.1Very low29Very low94 Ų94132.8 Ų132.866%0.65776%0.761SS**  cis-164.4142-3.350.10000114.5
782H31.9Very low29Very low184 Ų184132.2 Ų132.285%0.85276%0.756SS**  trans63.7147.2151.7-79.68.1000119.4
783C32.3Very low28.7Very low113 Ų113134.9 Ų134.976%0.76476%0.76SS**  cis-141.5139.4-5.4-149.50000107.8
784G29.6Very low28.8Very low67 Ų67136.5 Ų136.569%0.69176%0.76SS**  83.3127.987.500000110.8
785Q32.8Very low28.8Very low181 Ų181137.4 Ų137.485%0.84676%0.762SS**  cis-133.1157.815.7-73.2151.5-16.800109.4
786Q26.4Very low29Very low172 Ų172133.7 Ų133.780%0.80475%0.751SS**  58.8137.463.1-116.8-171.54.200112.1
787V28.5Very low28.9Very low106 Ų106140.5 Ų140.564%0.64276%0.759SS**  cis-152.1172.616.9-151.90000110.1
788N28Very low29.2Very low138 Ų138136 Ų13674%0.73875%0.745SS**  trans68.4130.6155.2-77.3-13.5000118
789L24.5Very low29.2Very low150 Ų150139.1 Ų139.179%0.78574%0.743SS**  cis71.7117.620.5-125.4178.3000114.6
790S24.6Very low29Very low101 Ų101138.7 Ų138.771%0.70674%0.74SS**  trans71.4171.2173.784.50000117.9
791S27.1Very low29.1Very low100 Ų100136 Ų13670%0.69973%0.726SS**  trans58.7100.1-172.555.10000115.8
792I26.6Very low28.9Very low142 Ų142139.6 Ų139.673%0.72874%0.735SS**  84.2134.157-67.4165.2000112.5
793Q27.7Very low28.8Very low165 Ų165137.2 Ų137.277%0.77173%0.726SS**  trans68.9143.1168-76.9157.441.400116.9
794N27.5Very low28.5Very low134 Ų134138.8 Ų138.872%0.71772%0.724SS**  cis179.2178.4-28-113.9-17.8000105.9
795K31.2Very low28.5Very low184 Ų184144.4 Ų144.480%0.873%0.729SS**  trans73.7124.8163.1-52.8-165.3-175.9178.60115.5
796L30.8Very low28.2Very low139 Ų139138.9 Ų138.973%0.72872%0.721SS**  cis-147.8138.6-24.8-105.5121.6000103.3
797Y27.2Very low28.3Very low206 Ų206134.7 Ų134.781%0.80872%0.716SS**  50.5145.876.9-82.3-69.2000113.8
798P33.7Very low28.4Very low84 Ų84135.9 Ų135.955%0.54572%0.719SS.*  -129.6-135.6-54.131.7-8.7000109
799Y28.5Very low28.5Very low199 Ų199136.5 Ų136.578%0.7872%0.716SS**  cis-158.1143.142.8-115.1-61.3000110.6
800S27.8Very low28.7Very low85 Ų85134.9 Ų134.959%0.59471%0.708SS**  trans-34.2152.1143.9-50.10000113.4
801N32.3Very low29Very low111 Ų111136.3 Ų136.359%0.59472%0.715SS**  -171.7145.685.6-73.1-41.8000107.9M803N801-M803 HydrophobicContact CB-CE 4.46Å; N801-M803 HydrophobicContact CB-CG 4.16Å; N801-M803 WeakPolarHBondContact ND2-CE 3.31Å
802M27.5Very low29.2Very low171 Ų171138.8 Ų138.884%0.84272%0.719SS**  cis5154.61-79.4-168.370.800117.2
803M30Very low29.5Very low133 Ų133136.4 Ų136.466%0.65572%0.721SS**  trans-91.4131.6135.4-60.7171.9-159.600105.6N801 F805N801-M803 HydrophobicContact CB-CE 4.46Å; N801-M803 HydrophobicContact CB-CG 4.16Å; N801-M803 WeakPolarHBondContact ND2-CE 3.31Å; M803-F805 HydrophobicContact CB-CD2 4.45Å; M803-F805 HydrophobicContact SD-CE2 4.27Å
804M26.6Very low29.6Very low147 Ų147134.9 Ų134.972%0.72473%0.726SS**  cis67.159.19.5-121.4-114.268.500114.9
805F30Very low29.8Very low185 Ų185131.6 Ų131.681%0.81172%0.724SS**  -111143.5125.3-70.4-94.3000105.9M803M803-F805 HydrophobicContact CB-CD2 4.45Å; M803-F805 HydrophobicContact SD-CE2 4.27Å
806G26.6Very low29.9Very low65 Ų65129.3 Ų129.367%0.6773%0.725SS**  cis107.2124.822.500000108.2
807A28.4Very low30Very low83 Ų83129.1 Ų129.169%0.68673%0.729SS**  cis-157.1-163.77.100000110.8
808N30.6Very low30.4Very low132 Ų132124.3 Ų124.371%0.70672%0.724SS**  trans77.4126.3161-57.4-18.7000117
809H28.6Very low30.2Very low150 Ų150125.5 Ų125.569%0.69473%0.734SS**  cis-143.8144.4-1.5-82.4-59.7000113.8
810L29.9Very low30.4Very low116 Ų116121 Ų12161%0.60773%0.731SS**  trans9.5135.1152.3-60.581.7000120.8L812L810-L812 HydrophobicContact CB-CD1 4.01Å; L810-L812 HydrophobicContact CD2-CD1 3.77Å; L810-L812 HydrophobicContact CD2-CG 3.93Å
811P30.5Very low30.6Very low131 Ų131121.5 Ų121.585%0.85174%0.735SS**PPolyproline II helix-84.3134.4121.933.7-28.1000110.5
812L32.2Very low30.5Very low152 Ų152124.8 Ų124.880%0.79675%0.747SS**PPolyproline II helixtrans-83.1140.9175.9-82.782.7000111.7L810L810-L812 HydrophobicContact CB-CD1 4.01Å; L810-L812 HydrophobicContact CD2-CD1 3.77Å; L810-L812 HydrophobicContact CD2-CG 3.93Å
813A31.8Very low30.7Very low93 Ų93121.9 Ų121.977%0.76974%0.739SS**PPolyproline II helixtrans-84.7147.8168.500000111.6
814P30.2Very low31Very low133 Ų133121.4 Ų121.486%0.86474%0.743SS**PPolyproline II helixtrans-88.2127.3170.333.1-30.7000111.6
815G31.1Very low31.4Very low65 Ų65118.6 Ų118.667%0.6774%0.738SS**  trans-176.4117172.900000114.4
816T34.1Very low31.3Very low135 Ų135117 Ų11783%0.82874%0.738SS**  trans42.795.7160.350.20000117.8
817V31.5Very low31.3Very low135 Ų135118.5 Ų118.582%0.81874%0.738SS**  49.9129.972.9-177.30000112.5
818P35.6Very low31.4Very low106 Ų106118.9 Ų118.969%0.68874%0.736SS**  cis-134.3-175.118.333.4-11.7000117.2
819S31.3Very low31.5Very low109 Ų109120.6 Ų120.676%0.76274%0.743SS**  trans67.2142.6153.345.80000119.7
820S31.9Very low31.4Very low104 Ų104119.3 Ų119.373%0.72774%0.741SS**  cis-164.8165.4-6.146.40000111.2
821S32.2Very low31.3Very low96 Ų96123.1 Ų123.167%0.67175%0.748SS**  trans72.9114.4168.1-55.20000115
822Q29.5Very low31.3Very low180 Ų180125.1 Ų125.184%0.84175%0.75SS**  66.7132.777.1-70.7-176.32.200112.4
823T33.3Very low31Very low109 Ų109122.9 Ų122.967%0.66974%0.738SS**  cis-141.9154.320.445.40000114.2
824T35.9Very low31Very low123 Ų123123.7 Ų123.776%0.75574%0.736SS**  trans55.9138.3143.154.80000121.4
825S33.7Very low31Very low88 Ų88121.9 Ų121.962%0.61572%0.724SS**  cis-173.1145.7-9.647.10000110.9
826N28.3Very low30.8Very low153 Ų153124.7 Ų124.782%0.81872%0.723SS**  trans46.4146.4137.1-58.71.7000120.9
827S26.9Very low30.5Very low96 Ų96122.1 Ų122.167%0.67171%0.711SS**  cis176-176.9-15.758.10000106.3
828S31.2Very low30.2Very low91 Ų91122.8 Ų122.864%0.63671%0.705SS**  trans65.9121.4-17777.60000112.6
829I31.8Very low29.9Very low168 Ų168122.6 Ų122.686%0.86271%0.707SS**  cis57.166.833.9-39.8179000111.5
830N27.3Very low29.6Very low122 Ų122123.6 Ų123.665%0.65270%0.703SS**  trans-146.4119.8145.7-92.4-47.2000107.3
831R26.2Very low29.5Very low196 Ų196123.8 Ų123.874%0.7470%0.704SS**  62.369.291.2-68.8-172.3179.5-126.11.1113I833R831-I833 HydrophobicContact CB-CD1 3.82Å; R831-I833 HydrophobicContact CB-CG1 4.01Å; R831-I833 HydrophobicContact CG-CD1 4.25Å
832L32Very low29.2Very low173 Ų173124.7 Ų124.791%0.90670%0.7SS**  trans-99.3111.1135.7-64.3168.8000104.6
833I25.8Very low29.1Very low105 Ų105120.9 Ų120.954%0.53869%0.694SS.*  cis59.1116.916.7-64.3-169.1000113.5R831R831-I833 HydrophobicContact CB-CD1 3.82Å; R831-I833 HydrophobicContact CB-CG1 4.01Å; R831-I833 HydrophobicContact CG-CD1 4.25Å
834P30.6Very low28.8Very low111 Ų111122.9 Ų122.972%0.72170%0.695SS**  cis-112.8-118.6-41.830.9-10000104.4
835P30.4Very low28.3Very low94 Ų94122.7 Ų122.761%0.6169%0.689SS**  cis-121.5158.2-37.1211.1000114.3
836N26.9Very low27.9Very low124 Ų124125.6 Ų125.666%0.66369%0.693SS**  trans54.7135.7134-54.723.4000118.8
837S27.8Very low27.9Very low82 Ų82123.9 Ų123.957%0.57369%0.688SS**  cis64.6139.444.490.60000113.4
838E25.8Very low27.9Very low148 Ų148124.1 Ų124.169%0.69268%0.682SS**  trans56.4144.7-165.1-52.795.9-97.800114.4
839S28.6Very low27.6Very low103 Ų103127.8 Ų127.872%0.7268%0.682SS**  cis-130.7140.812.4410000108.8
840L26Very low27.4Very low130 Ų130124.2 Ų124.268%0.68167%0.672SS**  47.7118.775.4-52.3168.3000109.8I842L840-I842 HydrophobicContact CD2-CD1 3.63Å
841S28.4Very low27.4Very low107 Ų107126.8 Ų126.875%0.74868%0.68SS**  cis-150.5142.53761.40000109.7
842I26.8Very low27.4Very low115 Ų115121.7 Ų121.759%0.5968%0.68SS**  53.494.756.3-51.8-179.7000111.7L840 Q844L840-I842 HydrophobicContact CD2-CD1 3.63Å; I842-Q844 HydrophobicContact CG2-CG 4.23Å
843S27.1Very low27.1Very low101 Ų101119 Ų11971%0.70667%0.67SS**  -153.8115.9128-82.60000107.6
844Q26.8Very low27.3Very low150 Ų150120.9 Ų120.970%0.70168%0.68SS**  68.9135.874.5-68.3-175.4-0.200111.4I842I842-Q844 HydrophobicContact CG2-CG 4.23Å
845L26.1Very low27Very low120 Ų120119.6 Ų119.663%0.62868%0.68SS**  cis-156.5-159.9-5.1-116.1165.3000108.8
846Q25.9Very low26.8Very low148 Ų148120.7 Ų120.769%0.69269%0.685SS**  trans-11.1152.3146.6-56.1141.6-29.600115.7
847T27.2Very low26.7Very low118 Ų118118.3 Ų118.372%0.72468%0.682SS**  cis-179.2161.745.9-8.30000105.9
848D26.5Very low26.6Very low101 Ų101124.5 Ų124.554%0.5469%0.694SS.*  cis-159-174.2-2.5-148.5-7.6000111.1
849R26.4Very low26.6Very low167 Ų167121.4 Ų121.463%0.6369%0.694SS**  trans-0.3150.6142.7-66.8163.7-178.3119.7-6118.3
850S27.4Very low26.4Very low93 Ų93123.9 Ų123.965%0.6570%0.699SS**  cis-159.5158.432.3-29.50000113.3
851Q26.9Very low26.4Very low177 Ų177129 Ų12983%0.82771%0.71SS**  27.9138.4122.7-48.116713.600117.2
852A26Very low26.2Very low89 Ų89132.5 Ų132.574%0.73671%0.714SS**  cis-177.9170.535.900000108
853V26.6Very low26.3Very low116 Ų116136.2 Ų136.270%0.70373%0.726SS**  cis-161.7138.5-10106.40000107.8
854L28.6Very low26.3Very low144 Ų144135.3 Ų135.375%0.75473%0.725SS**  trans54.3141.2166.6-79.468.6000116.8
855A25.5Very low26.3Very low85 Ų85134.6 Ų134.670%0.70273%0.731SS**  55144.958.200000111.3
856T25.5Very low26.5Very low117 Ų117134.1 Ų134.172%0.71874%0.738SS**  cis-154.7134.126.8140000105.4
857A24.7Very low26.5Very low73 Ų73134.3 Ų134.360%0.60374%0.744SS**  73.9158.293.900000114.9
858Y25.5Very low26.6Very low212 Ų212134.1 Ų134.183%0.83175%0.747SS**  trans67.5122.5-173.6-49.1-78000113.2
859A25.2Very low26.7Very low84 Ų84135.8 Ų135.869%0.69476%0.761SS**  cis68.6130.243.800000113.1
860D24.5Very low26.7Very low155 Ų155135.7 Ų135.783%0.82977%0.772SS**  trans35.299.4165.3-57.1-22.1000118.8
861R26.7Very low26.9Very low238 Ų238134.4 Ų134.490%0.89877%0.773SS**  -159.2124.3124-108.8152.8-168.2-177.13.6114
862E25Very low26.9Very low180 Ų180135.1 Ų135.184%0.84177%0.774SS**  trans-63.8140.2147.4-55.7-177.7126.200109
863F27.9Very low27.1Very low192 Ų192138.4 Ų138.484%0.84278%0.778SS**  trans175.5109.7147.5-97.7-70000105
864A26.7Very low27Very low82 Ų82141.2 Ų141.268%0.67878%0.781SS**  33.4112.794.200000112.1
865T28.5Very low27.2Very low136 Ų136141.1 Ų141.183%0.83478%0.781SS**  -165.8166.576.539.30000110.5
866S29.5Very low27.4Very low110 Ų110141.1 Ų141.177%0.76978%0.776SS**  cis-165.6165.7-5.337.70000109.4
867N25.9Very low27.7Very low152 Ų152140.4 Ų140.481%0.81378%0.775SS**  trans-62.8144.3171-59.2-70.2000112.5
868S28.5Very low27.9Very low113 Ų113145.7 Ų145.779%0.7979%0.788SS**  trans-148.7100.8152.8-169.80000111.5
869T29Very low28.1Very low136 Ų136139 Ų13983%0.83478%0.783SS**  trans-91.993.9170.546.80000110.4
870L27.5Very low28.5Very low165 Ų165142.7 Ų142.786%0.86479%0.79SS**  trans-156.6145.1165.3-133.568.9000108.5
871G31.6Very low28.6Very low66 Ų66143.2 Ų143.268%0.6879%0.789SS**  cis-161.7178.2-3.200000111.3L873G871-L873 PolarHBondContact O-N 3.44Å
872K26.4Very low29Very low193 Ų193140 Ų14084%0.83979%0.788SS**  trans-74.3121.8174.2-58.9161.1-173.6160.60109
873L29Very low29.2Very low158 Ų158138.2 Ų138.283%0.82778%0.784SS**  trans-121108.9156.2-77.2177.7000110G871G871-L873 PolarHBondContact O-N 3.44Å
874K26.2Very low29.4Very low174 Ų174134.3 Ų134.376%0.75778%0.781SS**  trans-99.9117.4161.7174.3-171.5174.1-173.80105.9S876K874-S876 PolarHBondContact O-OG 2.67Å
875L32.7Very low29.6Very low143 Ų143134 Ų13475%0.74979%0.786SS**  trans-132.9122.4168.2-59.7172.1000104.2
876S29Very low29.6Very low85 Ų85132.5 Ų132.559%0.59478%0.78SS**  cis70.681.56.582.60000117.8K874K874-S876 PolarHBondContact O-OG 2.67Å
877S31.9Very low29.7Very low102 Ų102132 Ų13271%0.71377%0.769SS**  trans-141.7120.6150.948.40000106.4
878Q29.7Very low30.1Very low184 Ų184134.3 Ų134.386%0.8677%0.766SS**  56.1125.197.4-93.880.3-13.800113.4
879G29.3Very low30.2Very low72 Ų72134.9 Ų134.974%0.74276%0.761SS**  cis-144.2-159.7-4.700000110.1
880I32.7Very low30.4Very low161 Ų161134.5 Ų134.583%0.82675%0.754SS**  cis-140.6169.113-71.3174.3000109.4
881M28Very low30.7Very low165 Ų165133.3 Ų133.381%0.81375%0.748SS**  trans-46.7162.3169.5-61.7169.4-70.300113.3
882I34.1Very low30.5Very low171 Ų171135.2 Ų135.288%0.87775%0.751SS**  -140.5163.351-72.9169.7000112.9
883N29.3Very low30.8Very low143 Ų143133.9 Ų133.977%0.76575%0.751SS**  trans-105.9175.2-164.8-165.415.4000113.3
884S31.6Very low30.8Very low110 Ų110132.2 Ų132.277%0.76975%0.747SS**  trans78.4138.8-174.9-29.10000112.7
885G31.1Very low31.3Very low76 Ų76128.7 Ų128.778%0.78474%0.742SS**  cis113.3141.722.200000108.4
886S29.8Very low31.1Very low103 Ų103129.1 Ų129.172%0.7275%0.745SS**  cis-156.3179.42.8-170.90000109.1
887D31.2Very low31.1Very low100 Ų100129.3 Ų129.354%0.53575%0.747SS.*  trans59.6122151.8-74.8-77.2000121.4
888R32.8Very low30.8Very low200 Ų200131.5 Ų131.576%0.75575%0.75SS**  trans71.5162.2135.5-61.9171.4-146.5174.515.4117.6
889N31.7Very low30.7Very low126 Ų126128 Ų12867%0.67474%0.741SS**  cis-163.9174.4-28.8-102.7-2.9000107
890N33.8Very low30.6Very low128 Ų128131.6 Ų131.668%0.68474%0.743SS**  trans72120158.4-58.7-20.6000115.7
891N32.8Very low30.4Very low140 Ų140128.9 Ų128.975%0.74974%0.738SS**  75.4108.1102-58.6-13.6000112.4
892S27.1Very low30.6Very low106 Ų106129 Ų12974%0.74174%0.741SS**  67.9106.779.1-174.30000113.1
893I32.8Very low30.6Very low164 Ų164125.9 Ų125.984%0.84173%0.732SS**  trans-170.1157.6133.2-96.2152.5000107.7
894V29Very low30.5Very low123 Ų123123.3 Ų123.375%0.74573%0.726SS**  trans-107.7-151.6-170.3-156.20000110.2
895P37.3Very low30.4Very low101 Ų101123.7 Ų123.766%0.65672%0.723SS**  -97.9-150.5-126.543.8-31.3000113.7
896N29.2Very low30.5Very low151 Ų151125.9 Ų125.981%0.80772%0.722SS**  trans87.6149.1-175.2-54.3-36.5000113
897S27.8Very low30.6Very low90 Ų90126.7 Ų126.763%0.62972%0.718SS**  cis-175.2168.1-19.953.40000108.2
898L27Very low31.2Very low147 Ų147130.2 Ų130.277%0.7774%0.735SS**  trans68.2122.7163-66.1162.1000114
899V27.2Very low31.1Very low111 Ų111126.4 Ų126.467%0.67373%0.729SS**  65.3117.780.1171.60000112
900N26.2Very low30.9Very low147 Ų147124.8 Ų124.879%0.78673%0.727SS**  trans66.5157178-56.7-18.8000113.9
901S28.3Very low30.6Very low104 Ų104125.7 Ų125.773%0.72773%0.731SS**  cis-151.4161.3-3.6150000109.7P903S901-P903 VanDerWaalsContact O-CD 3.29Å; S901-P903 WeakPolarHBondContact O-CD 2.95Å
902L32.5Very low30.4Very low168 Ų168123.2 Ų123.288%0.8872%0.724SS**  trans-67.2135.9161.2-143.177.8000109.9
903P33.5Very low30.3Very low105 Ų105125 Ų12568%0.68273%0.726SS**  trans-127.1119.2140.838-29000108.9S901S901-P903 VanDerWaalsContact O-CD 3.29Å; S901-P903 WeakPolarHBondContact O-CD 2.95Å
904S28.8Very low30Very low90 Ų90121.5 Ų121.563%0.62972%0.716SS**  83.4136.793.678.60000113
905T29Very low29.8Very low118 Ų118122.4 Ų122.472%0.72472%0.717SS**  cis-170.2141.7-3.811.70000107.5
906T33.9Very low29.2Very low122 Ų122123.6 Ų123.675%0.74872%0.718SS**  177.1122.1115.126.20000112.5
907N30.3Very low29.1Very low119 Ų119125.9 Ų125.964%0.63672%0.715SS**  trans37.388.7135.7-51.9-13.6000119.1
908I45.1Very low29.1Very low175 Ų175128.8 Ų128.890%0.89772%0.724SS**  -120.997.5110-69.692.1000108
909N30.6Very low29.3Very low119 Ų119126.2 Ų126.264%0.63672%0.723SS**  trans-66.1156.8161.7-84.83.8000109.4
910C27.2Very low29.6Very low92 Ų92129.4 Ų129.462%0.62273%0.731SS**  cis-171.2-178.60.3-125.10000111.7
911L28.1Very low29.9Very low148 Ų148127.8 Ų127.878%0.77572%0.722SS**  trans60.5111.5141.8-71.2161.6000119.4
912S26.9Very low30.1Very low87 Ų87130.4 Ų130.461%0.60872%0.721SS**  79.1162.8119.5-59.80000120.1
913D26.5Very low29.9Very low143 Ų143128.3 Ų128.377%0.76571%0.71SS**  trans63.5112.1163.6-55.6-40.6000115.5
914S25Very low29.6Very low92 Ų92129.8 Ų129.864%0.64371%0.711SS**  68.212585.9116.90000112.4
915N24.7Very low30Very low141 Ų141131.2 Ų131.275%0.75472%0.718SS**  38140.9129.9-60-38.8000120.5
916N26Very low29.9Very low127 Ų127130.6 Ų130.668%0.67972%0.716SS**  trans83.4144.7146-108.3-41.6000118.1
917R26.3Very low29.9Very low198 Ų198131.5 Ų131.575%0.74772%0.716SS**  trans66.7117.3148.9-65.5161.4-163.8-177.10.8116.3
918N27.9Very low29.9Very low152 Ų152130.7 Ų130.781%0.81372%0.718SS**  cis-156.7146.516.4-72.1-54.8000111.4
919A31.1Very low28.8Very low92 Ų92129.1 Ų129.176%0.7671%0.709SS**SBend177.893.1116.100000111.1
920Q34.2Very low28.7Very low179 Ų179129.5 Ų129.584%0.83671%0.709SS**  trans64.8136.3167.8-58-164.820.300118.1
921N31.5Very low28.9Very low113 Ų113131.5 Ų131.560%0.60471%0.709SS**  cis-158.6158.6-22.4-125.8-15.5000111.3
922F32.4Very low29.1Very low159 Ų159133.7 Ų133.770%0.69771%0.707SS**  trans47.7105.7160.1-66.6-61.7000117.7
923N29.6Very low29.5Very low123 Ų123136.9 Ų136.966%0.65871%0.712SS**  75112.287.8-83.914.1000112.1
924I27.4Very low29.8Very low137 Ų137136.8 Ų136.870%0.70371%0.707SS**  77.6128.294.2-75171.9000110.6
925P37.4Very low30.1Very low119 Ų119139.4 Ų139.477%0.77371%0.709SS**  trans-66.8152.9-166.728.4-37.8000112.2
926P26.5Very low30.5Very low106 Ų106140.1 Ų140.169%0.68871%0.707SS**  -120.6143.6124.934.3-30.5000111.5P928P926-P928 WeakPolarHBondContact O-CD 3.32Å
927N33.8Very low30.7Very low140 Ų140140.7 Ų140.775%0.74971%0.71SS**  trans-63114135.4-103.6-53.6000106.8M929N927-M929 VanDerWaalsContact C-N 3.35Å
928P29.6Very low30.8Very low103 Ų103137.1 Ų137.167%0.66971%0.705SS**  -66.9104.4123.731.6-25.8000105.1P926P926-P928 WeakPolarHBondContact O-CD 3.32Å
929M22.8Very low31Very low142 Ų142135.4 Ų135.470%0.771%0.705SS**  37.3108.466.8-60.4178.954.800108.8N927N927-M929 VanDerWaalsContact C-N 3.35Å
930I27.8Very low31Very low126 Ų126136.9 Ų136.965%0.64670%0.698SS**  -164154.952.4-126.1147.3000111.3
931Q32Very low30.7Very low135 Ų135134.3 Ų134.363%0.63170%0.696SS**  trans63.5106.3162.7-73162.5200116.4
932R32.3Very low30.5Very low194 Ų194136.1 Ų136.173%0.73270%0.701SS**  78.8107.275-81.1-173.2-152.1152-1.4111.6
933H34Very low30.2Very low153 Ų153133 Ų13371%0.70870%0.7SS**  trans71.9167.6134.2-58.6-59.3000119.6
934H32.8Very low30Very low142 Ų142132.3 Ų132.366%0.65770%0.704SS**  trans46.1105.9139.5-69.8-50.3000118.5
935H32.8Very low29.9Very low146 Ų146133.6 Ų133.668%0.67671%0.711SS**  73.4128.9127.8-61.8-50.6000119.5
936H32.3Very low29.4Very low156 Ų156131 Ų13172%0.72271%0.706SS**  trans68.2133.5131.6-85.4-76.2000121.3
937L29.5Very low29.4Very low140 Ų140131.8 Ų131.873%0.73371%0.709SS**  trans73.4153.4152.8-52.1154.6000115.1
938N28.8Very low29Very low123 Ų123133.2 Ų133.266%0.65872%0.715SS**  cis-158.7143.7-14-121.7-3.7000111.7
939S32.1Very low28.9Very low115 Ų115136.7 Ų136.780%0.80472%0.723SS**  trans155.786.4149.341.90000109.8
940M30.6Very low29.4Very low123 Ų123134.7 Ų134.761%0.60672%0.721SS**  63.6143.179.6-78.4-169.657.900115.2Q942M940-Q942 VanDerWaalsContact CE-CD 3.47Å; M940-Q942 HydrophobicContact CE-CG 3.88Å; M940-Q942 HydrophobicContact SD-CG 4.34Å
941P29Very low29.5Very low125 Ų125133.5 Ų133.581%0.81272%0.721SS**  cis-90.2141.419.833.7-35.5000117.5
942Q27.9Very low29.3Very low151 Ų151131.5 Ų131.571%0.70672%0.722SS**  trans-13.7114.8162.7-77.7150.3-34.800119.6M940M940-Q942 VanDerWaalsContact CE-CD 3.47Å; M940-Q942 HydrophobicContact CE-CG 3.88Å; M940-Q942 HydrophobicContact SD-CG 4.34Å
943S25.2Very low29.2Very low95 Ų95127.6 Ų127.666%0.66472%0.72SS**  -33.7150.9126.655.40000116.2
944S25Very low28.9Very low107 Ų107126.4 Ų126.475%0.74872%0.718SS**  trans68126148.2-54.30000119.4
945I26.7Very low29Very low164 Ų164127 Ų12784%0.84172%0.72SS**  -160.6117.7106.3-93.7150.2000109.2
946G24.8Very low28.9Very low65 Ų65124 Ų12467%0.6772%0.716SS**  trans-122.3153.8150.600000106.6
947T26.8Very low28.9Very low123 Ų123120.9 Ų120.976%0.75571%0.712SS**  trans62.4130.5-157.365.50000111.8
948L25.6Very low29Very low169 Ų169123.2 Ų123.289%0.88572%0.716SS**  cis-135.9165.649.1-79.8157.2000115.6
949E27.8Very low29.2Very low176 Ų176121.3 Ų121.382%0.82271%0.712SS**  trans-57.6177.5162.3-109.3-168.2-173.200114.3
950P32.5Very low29.2Very low101 Ų101123 Ų12366%0.65671%0.713SS**  cis-134.3-131.2-16.738.5-17.4000108.7
951P30.8Very low29.2Very low100 Ų100121.1 Ų121.165%0.64971%0.711SS**  cis-121.5-178-43.534.2-16.2000112.9
952S28.8Very low29.3Very low94 Ų94122.6 Ų122.666%0.65771%0.711SS**  trans37.1144.2133.974.10000122.6
953T28.8Very low29.4Very low112 Ų112120.1 Ų120.169%0.68771%0.71SS**  cis-177.5154.5-122.10000110.5
954L29.2Very low29.7Very low128 Ų128119.9 Ų119.967%0.6771%0.708SS**  trans60.3141.8136.5-65169.7000123.9
955H33.2Very low30Very low153 Ų153121 Ų12171%0.70871%0.706SS**  trans72.9150.4138.6-70.7-27.1000120.9
956S30.8Very low30.2Very low83 Ų83120.4 Ų120.458%0.5870%0.704SS**  cis-174174-23.7650000111.2
957S32Very low30.4Very low92 Ų92121.5 Ų121.564%0.64370%0.701SS**  trans72.3150.4149.9-59.70000115.6
958K31.8Very low30.5Very low189 Ų189121.1 Ų121.182%0.82270%0.702SS**  cis174.3166.4-3.5-105.1173.5-177.7173.20103
959S32.8Very low30.5Very low82 Ų82117.8 Ų117.857%0.57369%0.693SS**  cis-175.1165.80.2410000110
960N32.3Very low30.7Very low151 Ų151117 Ų11781%0.80769%0.694SS**  trans73.6151.1147.9-70.52.7000118.7
961S31.1Very low30.4Very low83 Ų83117.1 Ų117.158%0.5870%0.697SS**  cis-179.4169.3-1552.10000111.4
962I30.4Very low30.4Very low157 Ų157116.9 Ų116.981%0.80570%0.698SS**  trans71.8144.6152-77.1161.2000114.8
963S31.2Very low30.4Very low99 Ų99119.2 Ų119.269%0.69270%0.703SS**  cis-173.9170.9-11.965.70000108
964S31.7Very low30.3Very low89 Ų89118.2 Ų118.262%0.62270%0.701SS**  cis-175.2-171.2-21.352.90000109.8
965N30.3Very low30.2Very low130 Ų130117.8 Ų117.870%0.69570%0.703SS**  trans82.6120.8148.3-77.1-2.8000123.7
966L32Very low30Very low153 Ų153118.1 Ų118.180%0.80171%0.707SS**  trans71.9146.6137.2-58.3170000119.8
967S28Very low29.9Very low88 Ų88119.9 Ų119.962%0.61571%0.71SS**  cis-173.9158.6-18.353.20000113.1
968C28.7Very low29.7Very low114 Ų114123.7 Ų123.777%0.7772%0.715SS**  trans75.1155.2151.8-70.10000120.5
969S27.2Very low29.4Very low100 Ų100121.3 Ų121.370%0.69971%0.711SS**  cis-178.5164-29.3-99.90000111.2
970L30.7Very low29.2Very low159 Ų159124.6 Ų124.683%0.83272%0.721SS**  trans68.6126.5168.7-58.9166.5000116.1
971S27.1Very low29Very low104 Ų104122.3 Ų122.373%0.72772%0.717SS**  cis88.6118.530.6-58.60000114.8
972S30Very low28.9Very low95 Ų95123.2 Ų123.266%0.66472%0.724SS**  161.2129.2110.5-98.20000113.6
973D29.4Very low28.8Very low142 Ų142125 Ų12576%0.75973%0.726SS**  54.7158.1127.3-50.5-43.8000122.5
974S26.5Very low29.3Very low92 Ų92124.9 Ų124.964%0.64372%0.723SS**  cis-169.9141.3-3564.30000109.9
975V27.2Very low29.4Very low118 Ų118127.4 Ų127.472%0.71573%0.728SS**  trans61.6149.51341710000120.7
976M29.6Very low29.5Very low161 Ų161129.1 Ų129.179%0.79373%0.73SS**  trans72.2151.9164.2-88.2-171-62.100118.3
977N27.4Very low29.6Very low120 Ų120127.8 Ų127.864%0.64272%0.723SS**  cis-152.2171.6-21.9-144.4-17.4000111.6
978K28.1Very low29.9Very low172 Ų172132 Ų13275%0.74873%0.73SS**  trans-44.3165.2175.8-57.1150.6-173.4177.30117.3
979N26.5Very low30Very low139 Ų139133.8 Ų133.874%0.74373%0.732SS**  109.1146.1126.4-98.811.4000120.8
980L28.5Very low30.2Very low150 Ų150132.2 Ų132.279%0.78573%0.731SS**  trans77.6139.4152.9-69.4157.5000120.1
981S27.1Very low30.2Very low103 Ų103131.2 Ų131.272%0.7273%0.727SS**  trans43.4146.8139.863.70000121.3
982S29.2Very low30.5Very low103 Ų103132.4 Ų132.472%0.7272%0.724SS**  cis179.9174-7.649.20000108.4
983F28.6Very low30.8Very low193 Ų193135.2 Ų135.285%0.84673%0.727SS**  trans-18.7167150.8-74.1-69.7000119.6
984P40.9Very low31Very low98 Ų98136 Ų13664%0.63673%0.731SS**  cis-138.3-153.3-8.228.5-3.3000113.9
985L35.4Very low31.4Very low141 Ų141135.9 Ų135.974%0.73873%0.728SS**  trans104.9142.4151.8-57.7171.3000117.4
986K31.4Very low31.6Very low167 Ų167135.8 Ų135.873%0.72673%0.727SS**  cis-174.2161-27.9-142.6-172.3-154.5174.90110
987L34.1Very low31.5Very low125 Ų125133.2 Ų133.265%0.65473%0.725SS**  trans67.9156.5160.6-53.9167.6000116.9
988F33.9Very low31.6Very low176 Ų176132.6 Ų132.677%0.77273%0.73SS**  cis-123.7141.6-25.7-83.1-79.8000105.5
989N30.5Very low31.6Very low152 Ų152129.3 Ų129.381%0.81373%0.729SS**  83.6111.950.4-150.592.2000114.3
990G32.5Very low31.6Very low66 Ų66127.4 Ų127.468%0.6873%0.727SS**  trans105.6147.616400000116.7
991D29.8Very low31.5Very low139 Ų139125.1 Ų125.174%0.74372%0.724SS**  cis-164.4165.9-21.4-136.1-28.2000113.6
992L33.4Very low31.6Very low128 Ų128124.9 Ų124.967%0.6772%0.722SS**  trans62.8151.3150.3-74.5162000122.7
993H36.7Very low31.4Very low155 Ų155124.6 Ų124.672%0.71872%0.72SS**  trans69.270.7159.6-59.3-47.2000120.7
994N33.8Very low31.4Very low157 Ų157123.1 Ų123.184%0.8472%0.72SS**  -73139.7123.1-161.50.3000108.1
995P35.1Very low30.8Very low91 Ų91122.3 Ų122.359%0.59172%0.716SS**  -152.8162.6121.139.1-23.3000116.5
996V31.4Very low30.7Very low115 Ų115121.4 Ų121.470%0.69772%0.717SS**  trans58.7106.6145.1169.10000116.7
997S27.5Very low30.7Very low107 Ų107120.6 Ų120.675%0.74872%0.716SS**  71.6155.959-56.60000114.5
998S29.3Very low30.7Very low107 Ų107120.5 Ų120.575%0.74872%0.715SS**  trans73.1148.9171.581.90000116.6
999S27.5Very low30.8Very low104 Ų104116.7 Ų116.773%0.72770%0.703SS**  cis-165.9164-21.1-103.10000111.1
1000S27.5Very low31Very low98 Ų98118.4 Ų118.469%0.68570%0.698SS**  trans47.3112.6143.565.20000121.2
1001S27.1Very low31.1Very low103 Ų103122.5 Ų122.572%0.7271%0.705SS**  76.1168.8118.978.10000121.4
1002S28.1Very low31.4Very low98 Ų98120 Ų12069%0.68570%0.703SS**  trans61.1103.9169.345.70000116
1003S25.5Very low31.4Very low96 Ų96121.8 Ų121.867%0.67171%0.71SS**  83.3159.565.675.30000112.9
1004L29.1Very low31.4Very low162 Ų162122.5 Ų122.585%0.84872%0.716SS**  trans68.3157.9179.7-57.6152.3000113.4
1005S27.6Very low31.5Very low81 Ų81118.4 Ų118.457%0.56671%0.711SS**  cis-171.5179.5-30.355.10000108.2
1006T33.4Very low31.6Very low122 Ų122121.5 Ų121.575%0.74872%0.721SS**  trans67.8158.4168.276.30000115.9
1007H32.1Very low31.8Very low151 Ų151123.8 Ų123.870%0.69972%0.724SS**  cis-152.9158.5-21.2-127.3-70000107.8
1008N33.9Very low32.1Very low122 Ų122127.9 Ų127.965%0.65273%0.728SS**  trans69.5150.7152.9-64.1-12.5000117.4
1009D35.9Very low32.5Very low96 Ų96126.9 Ų126.951%0.51372%0.72SS.*  cis-152.2154.9-3.3-129.3-24.4000115.7
1010R34Very low32.6Very low188 Ų188129.6 Ų129.671%0.70972%0.721SS**  trans47.8127.7144.7-81156.1178.8134.1-5.1122.5
1011N35.3Very low32.8Very low152 Ų152135.3 Ų135.381%0.81373%0.729SS**  trans75.9145.8140.4-58.2-9.4000117.7
1012A34.8Very low33.2Very low86 Ų86136.9 Ų136.971%0.71173%0.726SS**  cis-171.2164.4-16.900000106.3
1013M33.8Very low33.6Very low166 Ų166138.6 Ų138.682%0.81874%0.735SS**  cis-163.9162.50.2-133.3175.6-171.500107.9
1014M36.3Very low33.8Very low171 Ų171138 Ų13884%0.84273%0.731SS**  trans52.7111.1161.6-51.1-59.9-12500117.2
1015G35.6Very low34.1Very low71 Ų71139.5 Ų139.573%0.73273%0.734SS**  110.5152.866.400000109.1
1016L38.4Very low34.6Very low155 Ų155140.3 Ų140.381%0.81274%0.739SS**  cis-144.7170.67.3-72.1165.8000110.3
1017H35.7Very low34.6Very low163 Ų163140.2 Ų140.276%0.75574%0.738SS**  trans-10.6152160.6-60.1-82.9000119.5
1018K33.6Very low34.9Very low193 Ų193139.8 Ų139.884%0.83974%0.74SS**  cis-158.6157.533.3-147159.8-176.8-174.70112.8
1019P36.5Very low34.8Very low87 Ų87144.9 Ų144.957%0.56575%0.75SS**  trans-113-163.3-17043.9-34.5000114.1
1020E31.3Very low34.7Very low160 Ų160146 Ų14675%0.74877%0.766SS**  trans70.9140.4163.7-71.1144.1-148.100115.8
1021Y31.7Very low34.7Very low219 Ų219144.2 Ų144.286%0.85977%0.77SS**  cis-134.9150.344.7-100.9-102000115.3
1022M34.8Very low34.5Very low136 Ų136146.8 Ų146.867%0.6778%0.775SS**  trans-86.2-179.7156.2-57.5-176.976.700109.9S1024M1022-S1024 VanDerWaalsContact CE-OG 3.27Å; M1022-S1024 WeakPolarHBondContact CE-OG 3.28Å
1023P36Very low34.5Very low133 Ų133147.9 Ų147.986%0.86477%0.774SS**  -134.1137.188.535.8-25.3000113.7
1024S30.3Very low34.6Very low85 Ų85145.6 Ų145.659%0.59477%0.772SS**  trans-112.4123164.754.10000109.8M1022M1022-S1024 VanDerWaalsContact CE-OG 3.27Å; M1022-S1024 WeakPolarHBondContact CE-OG 3.28Å
1025E35.7Very low34.6Very low193 Ų193143.5 Ų143.590%0.90277%0.774SS**  trans-141.1143.5163-76.3-168.2172.600108.2
1026S36.6Very low34.4Very low97 Ų97147.8 Ų147.868%0.67878%0.78SS**  cis-158.8131.4-18.871.20000107.8
1027V34.9Very low34.2Very low120 Ų120148.8 Ų148.873%0.72778%0.78SS**  85.9121.496.5170.70000115
1028L37.9Very low34.1Very low142 Ų142148 Ų14874%0.74378%0.781SS**  trans64.9121.8164.1-62.1167.5000117.7
1029R31.1Very low34Very low229 Ų229145.8 Ų145.886%0.86478%0.777SS**  65.1109.468.3-82.7-170.4167.9-177.4-3115
1030S34.8Very low33.9Very low120 Ų120145.9 Ų145.984%0.83978%0.777SS**  -166.8152.6114.453.70000111.2
1031N33.5Very low34Very low150 Ų150143.1 Ų143.180%0.80277%0.773SS**  trans-80145.3175.7-56-32000110.2
1032F32.2Very low34.5Very low206 Ų206138.8 Ų138.890%0.90477%0.772SS**  174.9134.1128.1-96.3-65.8000110.9
1033P33Very low34.7Very low109 Ų109140 Ų14071%0.70878%0.78SS**  trans-103.6-178.1171.140.7-34.5000111.7
1034P37.4Very low34.7Very low118 Ų118139.5 Ų139.577%0.76678%0.777SS**  cis-117.2177.9-48.437.6-26.3000110.3
1035S35.4Very low35.2Very low127 Ų127141.3 Ų141.389%0.88879%0.787SS**  trans-150.4122.6167.3-730000112.1
1036L31.7Very low35.4Very low162 Ų162139.5 Ų139.585%0.84878%0.783SS**  trans-82135.4172-65.8164.1000109.9
1037Q34.1Very low35.4Very low176 Ų176142.3 Ų142.382%0.82279%0.789SS**  trans-173.3122.6140.9-106.4151.79300115.3
1038L33Very low35.5Very low147 Ų147141.1 Ų141.177%0.7778%0.784SS**  trans68.1151.8139.4-64.4168000121.7
1039I32.7Very low35.5Very low146 Ų146141 Ų14175%0.74979%0.791SS**  trans-116.2151.3-163.9-51.7158.5000109.3
1040P34.2Very low35.8Very low89 Ų89137.9 Ų137.958%0.57879%0.787SS**  -129.3144.6122.54.317000113.1F1383P1040-F1383 HydrophobicContact CB-CZ 4.36Å; P1040-F1383 HydrophobicContact CG-CE1 3.8Å; P1040-F1383 HydrophobicContact CG-CZ 4.06Å
1041P33.4Very low35.8Very low102 Ų102141.7 Ų141.766%0.66279%0.788SS**PPolyproline II helixtrans-86.5147.9-173.734-35.4000113.7
1042P41.2Very low36Very low128 Ų128142.6 Ų142.683%0.83179%0.792SS**PPolyproline II helixtrans-75.5127.2166.1-7.724.6000111.1
1043L38.7Very low36Very low160 Ų160143 Ų14384%0.83879%0.794SS**PPolyproline II helixtrans-75.7141.7176.6-69.9137.8000111.8
1044P36.5Very low35.9Very low124 Ų124142.8 Ų142.881%0.80580%0.795SS**PPolyproline II helixtrans-87.9135.9170.733.9-32.3000112.1
1045P42Very low35.6Very low123 Ų123147 Ų14780%0.79980%0.801SS**  trans-123128.516130.9-16000112.9
1046N38.2Very low35.6Very low154 Ų154149.1 Ų149.182%0.82480%0.802SS**  trans-60.4153.9157.6-79.2-81.9000110.7
1047I37.8Very low35.6Very low156 Ų156146.9 Ų146.980%0.880%0.795SS**  178.3131.9117.9-90.1152.4000109.2
1048P37.5Very low35.7Very low96 Ų96144.3 Ų144.362%0.62379%0.794SS**  trans-76.9149.3174.932.2-34.8000111.9E1050P1048-E1050 VanDerWaalsContact C-N 3.27Å; P1048-E1050 PolarHBondContact O-N 3.28Å
1049P37.3Very low35.5Very low138 Ų138144.2 Ų144.290%0.89679%0.794SS**SBendtrans-82.856.9-173.435.4-37.9000114.2
1050E36.3Very low35.6Very low165 Ų165142.5 Ų142.577%0.77180%0.795SS**  trans-103.6160.8152.9-65.2-16816200108.8P1048P1048-E1050 VanDerWaalsContact C-N 3.27Å; P1048-E1050 PolarHBondContact O-N 3.28Å
1051F36.1Very low35.6Very low199 Ų199143.7 Ų143.787%0.87381%0.805SS**SBendtrans73.631.1-176.3-73.5-90.3000119.5
1052L36.5Very low35.4Very low169 Ų169144.1 Ų144.189%0.88581%0.811SS**  trans-13470162.1-79.6-178.2000115
1053K34Very low35.2Very low214 Ų214143.3 Ų143.393%0.9381%0.805SS**  trans-171.582.8148.2-109.3161.7-173.7173.40113
1054S29.7Very low35Very low105 Ų105143.6 Ų143.673%0.73481%0.807SS**  trans-126.783.2173.840.30000110.7
1055F32.1Very low34.6Very low206 Ų206147 Ų14790%0.90481%0.81SS**  trans-149.5148.2168.6-88.5-71.8000111
1056L33.6Very low34.5Very low172 Ų172146.9 Ų146.990%0.90181%0.808SS**  trans77.2101.1178.2-61.6163000116.5
1057V32.1Very low34Very low115 Ų115143.2 Ų143.270%0.69781%0.807SS**  trans-116137.6165.4169.80000106.3D1059V1057-D1059 HydrophobicContact CG1-CB 4.48Å
1058P36.2Very low33.9Very low123 Ų123141.4 Ų141.480%0.79981%0.808SS**  -127.3138.2105.65.416.4000111.1
1059D29.5Very low33.5Very low144 Ų144146.6 Ų146.677%0.7782%0.821SS**  67.4100.160.3-78.5-35.7000115.3V1057V1057-D1059 HydrophobicContact CG1-CB 4.48Å
1060S34Very low33.4Very low111 Ų111146.2 Ų146.278%0.77682%0.816SS**  trans-170.6101.3142.356.70000113.3
1061S35.2Very low33Very low114 Ų114146.1 Ų146.180%0.79782%0.821SS**  trans40.5118.1138.262.60000122.6
1062S29.8Very low32.9Very low110 Ų110141.2 Ų141.277%0.76982%0.817SS**  trans-51.2168.4140.9-26.80000111.8
1063P36Very low32.4Very low111 Ų111138.5 Ų138.572%0.72181%0.807SS**  cis-158.9-165.64443.4-19.2000118.7
1064L33.9Very low32.4Very low166 Ų166136.4 Ų136.487%0.86981%0.806SS**  trans84.2144.9147.1-107.167.9000123.7
1065F29Very low32.5Very low197 Ų197138.7 Ų138.786%0.86481%0.81SS**  trans-85.5-171.7169.5-86.7-98.7000111.4
1066P38.8Very low32.5Very low119 Ų119134.1 Ų134.177%0.77380%0.803SS**  cis-134.3175.6-12.823.9-0.1000116.1
1067G29.4Very low32.4Very low78 Ų78130.7 Ų130.780%0.80479%0.794SS**  trans88170.8152.900000116.9
1068S34.9Very low32.5Very low117 Ų117135.3 Ų135.382%0.81881%0.805SS**  cis-149.9-179.6-6.972.20000111.1
1069K29.2Very low32.3Very low205 Ų205136.7 Ų136.789%0.89180%0.802SS**  trans-89.4137.9-176.5-61.7170.3-175.4164.90112
1070V34.7Very low32.5Very low130 Ų130135.1 Ų135.179%0.78880%0.8SS**  trans-134.3125.4159.4-1750000110.2
1071N28.6Very low32.5Very low164 Ų164134.8 Ų134.888%0.87780%0.798SS**  trans-94.7131.8163.2-103-9.3000107.8
1072A32.9Very low32.2Very low95 Ų95136.1 Ų136.179%0.78579%0.794SS**  trans-127.1102.1172.300000110
1073T27.1Very low32.6Very low112 Ų112136.8 Ų136.869%0.68780%0.796SS**  trans-89.4128.6173.5-49.90000109
1074L34.7Very low32.5Very low171 Ų171137.4 Ų137.490%0.89579%0.793SS**  trans-128.1117166.3-74.8177000110.2
1075N30.4Very low32.5Very low153 Ų153135.6 Ų135.682%0.81878%0.784SS**  trans-96.2129.8173.1-74.8-30.7000109.7
1076S33.1Very low32.7Very low110 Ų110134.6 Ų134.677%0.76978%0.782SS**  trans-154.7102.214848.90000107.9
1077S30.9Very low32.4Very low100 Ų100133.5 Ų133.570%0.69978%0.777SS**  64.8836879.40000113.7
1078F33.3Very low32.5Very low212 Ų212135.3 Ų135.393%0.9377%0.772SS**  trans-156.8113.2141.1-99-66.3000110.3
1079M32.9Very low32.2Very low151 Ų151138.3 Ų138.374%0.74477%0.774SS**  trans-106.3152.8163.2-78.3-106.769.200106.4
1080P33.5Very low32.2Very low112 Ų112133.8 Ų133.873%0.72777%0.765SS**  -137.6-170.463.840.2-20.7000112.2
1081S33.6Very low31.8Very low104 Ų104135.3 Ų135.373%0.72777%0.768SS**  cis-146.8163.69.5-39.30000110.9
1082I29.8Very low31.7Very low141 Ų141138 Ų13872%0.72377%0.768SS**  trans-126.9139.8173.9-48.7168.7000108.2N1084I1082-N1084 HydrophobicContact CG2-CB 4.3Å
1083P37.8Very low31.3Very low124 Ų124139.1 Ų139.181%0.80577%0.77SS**  -124.8136.4110.20.220.8000110.8
1084N33.7Very low31.4Very low124 Ų124140.1 Ų140.166%0.66378%0.778SS**  cis88.8105.139.6-172.724.9000113.1I1082I1082-N1084 HydrophobicContact CG2-CB 4.3Å
1085L33.9Very low31Very low128 Ų128139.3 Ų139.367%0.6777%0.772SS**  168.5130.4121-88.1167.1000112.4
1086Q34.6Very low30.8Very low177 Ų177141.5 Ų141.583%0.82777%0.768SS**  trans59.8154.3148.9-63.9168.4-1100120.5
1087S30.7Very low30.7Very low95 Ų95143.2 Ų143.266%0.66477%0.774SS**  cis-161144.6-32.8-171.50000111
1088T31.7Very low30.4Very low116 Ų116144.6 Ų144.671%0.71277%0.773SS**  trans48.1108.1151.446.30000122.6
1089Q29.6Very low30.1Very low180 Ų180142.8 Ų142.884%0.84177%0.768SS**  trans79.1146138.3-58.3-63.5-8.300120.8
1090P28Very low29.8Very low110 Ų110140.5 Ų140.571%0.71477%0.766SS**  trans-108.3146.6-16839.6-32.7000115.1
1091L28.1Very low29.5Very low163 Ų163142.2 Ų142.285%0.85377%0.769SS**  trans-147.1115.1163-106.5162.5000112
1092Y24.8Very low29.3Very low221 Ų221148.4 Ų148.487%0.86778%0.777SS**  trans19.1105.4159.4-82.8-100.9000120.3
1093S24.9Very low29.2Very low118 Ų118147.2 Ų147.283%0.82578%0.778SS**  trans-169.4131.7147.6-87.60000112.9
1094P29.6Very low28.8Very low133 Ų133148.6 Ų148.686%0.86478%0.779SS**  trans-123.787.3159.135.2-22.1000111.8
1095M26.1Very low28.6Very low154 Ų154152 Ų15276%0.75979%0.788SS**  trans-93.4106.6172.6-178.4-177.462.500111.4
1096R26.1Very low28.4Very low198 Ų198151.5 Ų151.575%0.74779%0.79SS**  trans64.9141.4168.6-57.4164.1173.6174.8-2.4116.5
1097V30.5Very low27.9Very low146 Ų146150 Ų15089%0.88579%0.787SS**  trans178.3156.5136.3143.10000108.9
1098N26.3Very low27.7Very low130 Ų130155.2 Ų155.270%0.69579%0.794SS**  trans-79.1158.2-177.8-77.8-20000114.2
1099H26.6Very low27.5Very low174 Ų174156.4 Ų156.481%0.80680%0.796SS**  trans79.7123.8158.4-52.1-58.3000120.1
1100S26.6Very low27.4Very low102 Ų102151.9 Ų151.971%0.71380%0.798SS**  trans70.8131.2146.1-125.20000120.4
1101N27.1Very low27.3Very low149 Ų149153 Ų15380%0.79780%0.796SS**  trans66.974.5148.4-53.3-3.2000118.4
1102R28.9Very low27.4Very low233 Ų233152.9 Ų152.988%0.87980%0.795SS**  -155.5155.4125.8-114.9-176.4169.8178.7-4.6112.2
1103P28.3Very low27.7Very low117 Ų117149.5 Ų149.576%0.7679%0.787SS**  trans-105.6106-17935.2-23.5000111.5
1104D29.5Very low28.2Very low152 Ų152154.5 Ų154.581%0.81379%0.788SS**  trans-92.9127.4172.8-76-53.5000111.6
1105K27.8Very low28.3Very low197 Ų197153.6 Ų153.686%0.85778%0.783SS**  trans-90100.4176.8-64.5176.9179.9179.60109.1
1106T30Very low28.5Very low116 Ų116152.6 Ų152.671%0.71278%0.784SS**  trans-79.1121.7163.740.80000109.6Y1108T1106-Y1108 PolarHBondContact O-N 3.29Å
1107N25.7Very low28.8Very low145 Ų145151.7 Ų151.778%0.77579%0.789SS**  trans-71.697.2178.3-72.1-26.8000110.3N1109N1107-N1109 PolarHBondContact O-N 2.68Å
1108Y25.7Very low28.7Very low206 Ų206148 Ų14881%0.80878%0.78SS**  trans-79.895.8158.5-91.4-87.4000109T1106T1106-Y1108 PolarHBondContact O-N 3.29Å
1109N27.8Very low28.8Very low141 Ų141148.7 Ų148.775%0.75478%0.784SS**  trans-58.8151.6165.8-76.3-9.9000110N1107 I1111N1107-N1109 PolarHBondContact O-N 2.68Å; N1109-I1111 PolarHBondContact O-N 2.91Å; N1109-I1111 VanDerWaalsContact O-N 3.11Å
1110G26.2Very low28.9Very low84 Ų84148.9 Ų148.987%0.86678%0.782SS**SBendtrans-62.2109.4-158.200000116
1111I26.7Very low29.4Very low135 Ų135151.8 Ų151.869%0.69279%0.789SS**  trans-129.4115152.5-58.1179.9000107.5N1109 H1113N1109-I1111 PolarHBondContact O-N 2.91Å; N1109-I1111 VanDerWaalsContact O-N 3.11Å; I1111-H1113 PolarHBondContact O-N 3.14Å
1112L30.8Very low29.8Very low159 Ų159153.8 Ų153.883%0.83279%0.787SS**  trans-72.193168.7-91.9167.8000108.8R1114L1112-R1114 PolarHBondContact O-N 3.24Å; L1112-R1114 VanDerWaalsContact O-N 3.13Å
1113H31.5Very low30.3Very low151 Ų151145.4 Ų145.470%0.69977%0.773SS**  trans-55.3118.5173.6-86.6-102.9000110.3I1111 P1115I1111-H1113 PolarHBondContact O-N 3.14Å; H1113-P1115 WeakPolarHBondContact O-CD 3.18Å
1114R33.9Very low30.8Very low222 Ų222149.4 Ų149.484%0.83877%0.773SS**  trans-55.2130.4166.1-80.1-177170.4179.8-2.4108.7L1112 V1116L1112-R1114 PolarHBondContact O-N 3.24Å; L1112-R1114 VanDerWaalsContact O-N 3.13Å; R1114-V1116 VanDerWaalsContact C-N 3.33Å; R1114-V1116 HydrophobicContact CB-CG2 4.46Å; R1114-V1116 PolarHBondContact O-N 2.99Å
1115P33.3Very low31.4Very low115 Ų115149.2 Ų149.275%0.74776%0.761SS**  trans-67.691.8169.1-18.532.4000109.8H1113 H1117H1113-P1115 WeakPolarHBondContact O-CD 3.18Å; P1115-H1117 PolarHBondContact O-N 3.48Å
1116V29.4Very low32.1Very low132 Ų132142 Ų14280%0.874%0.738SS**  trans-78.979.3171.5-173.60000108.1R1114R1114-V1116 VanDerWaalsContact C-N 3.33Å; R1114-V1116 HydrophobicContact CB-CG2 4.46Å; R1114-V1116 PolarHBondContact O-N 2.99Å
1117H33.1Very low32.9Very low180 Ų180139.9 Ų139.983%0.83372%0.723SS**  trans-119.2142.9164.7-82.9-3.5000108.9P1115P1115-H1117 PolarHBondContact O-N 3.48Å
1118G27.7Very low34.1Very low69 Ų69134.4 Ų134.471%0.71170%0.698SS**  trans-64152.6-16000000114.8
1119D27.6Very low35.4Very low144 Ų144128.6 Ų128.677%0.7768%0.678SS**SBendtrans50100.6150.3-58.5-12.7000118.3
1120K30Very low37Very low178 Ų178126 Ų12677%0.77466%0.662SS**SBendtrans87138.1150.6-54.6156.8-174.1173.10115.9Y1122K1120-Y1122 VanDerWaalsContact C-N 3.33Å; K1120-Y1122 PolarHBondContact O-N 2.78Å
1121L35.4Very low38.5Very low162 Ų162129.5 Ų129.585%0.84865%0.65SS**SBendtrans65.1-35.9167.4-57.5171.8000120G1123L1121-G1123 VanDerWaalsContact C-N 3.34Å; L1121-G1123 PolarHBondContact O-N 2.86Å
1122Y37.2Very low40.2Very low191 Ų191126 Ų12675%0.74963%0.632SS**Hα-helixtrans-71-17.6-167.6-81.4-81.5000116.8K1120 W1125K1120-Y1122 VanDerWaalsContact C-N 3.33Å; K1120-Y1122 PolarHBondContact O-N 2.78Å; Y1122-W1125 PolarHBondContact O-N 3.3Å
1123G37.8Very low41.5Very low58 Ų58121.1 Ų121.160%0.59861%0.614SS**Hα-helixtrans-62.5-44.6-176.100000114.8L1121 W1125 A1126 D1127L1121-G1123 VanDerWaalsContact C-N 3.34Å; L1121-G1123 PolarHBondContact O-N 2.86Å; G1123-W1125 VanDerWaalsContact C-N 3.31Å; G1123-W1125 PolarHBondContact O-N 3.18Å; G1123-A1126 PolarHBondContact O-N 3.48Å; G1123-D1127 PolarHBondContact O-N 3.2Å; G1123-D1127 VanDerWaalsContact O-N 3.16Å
1124R39.5Very low42.9Very low201 Ų201118.9 Ų118.976%0.75861%0.607SS**Hα-helixtrans-64.4-34.2-177.6-68.2-169.2-178.2-173.14.4112.5D1127 A1128R1124-D1127 PolarHBondContact O-N 2.71Å; R1124-A1128 WeakPolarHBondContact O-CB 3.22Å; R1124-A1128 PolarHBondContact O-N 2.92Å
1125W41.6Very low44.1Very low147 Ų147114.4 Ų114.456%0.55759%0.594SS**Hα-helixtrans-66.7-37.3177.3-92.371.3000112.9Y1122 G1123 H1129Y1122-W1125 PolarHBondContact O-N 3.3Å; G1123-W1125 VanDerWaalsContact C-N 3.31Å; G1123-W1125 PolarHBondContact O-N 3.18Å; W1125-H1129 AromaticContact CE3-CE1 3.76Å; W1125-H1129 PolarHBondContact O-N 2.89Å; W1125-H1129 PolarHBondContact O-ND1 2.91Å
1126A43.1Very low45.5Very low46 Ų46112.9 Ų112.938%0.3858%0.578SS.*Hα-helixtrans-69.5-42.5175.800000111.6G1123 H1129 I1130G1123-A1126 PolarHBondContact O-N 3.48Å; A1126-H1129 PolarHBondContact O-N 3.49Å; A1126-I1130 WeakPolarHBondContact O-CG1 3.44Å; A1126-I1130 PolarHBondContact O-N 3.46Å; A1126-I1130 VanDerWaalsContact O-N 3.09Å
1127D47.2Very low46.9Very low72 Ų72113 Ų11339%0.38557%0.57SS.*Hα-helixtrans-60.9-45.8176.8-173.567.7000112.1G1123 R1124 H1129 I1130 R1131G1123-D1127 PolarHBondContact O-N 3.2Å; G1123-D1127 VanDerWaalsContact O-N 3.16Å; R1124-D1127 PolarHBondContact O-N 2.71Å; D1127-H1129 PolarHBondContact O-N 3Å; D1127-I1130 WeakPolarHBondContact O-CB 3.3Å; D1127-I1130 PolarHBondContact O-N 3.47Å; D1127-I1130 VanDerWaalsContact O-N 3.1Å; D1127-R1131 WeakPolarHBondContact O-CG 3.42Å; D1127-R1131 PolarHBondContact O-N 2.91Å; D1127-R1131 IonicContact OD1-NE 2.66Å; D1127-R1131 IonicContact OD1-NH2 3.62Å; D1127-R1131 IonicContact OD2-CZ 3.64Å; D1127-R1131 IonicContact OD2-NE 3.5Å; D1127-R1131 PolarHBondContact OD2-NE 2.88Å; D1127-R1131 IonicContact OD2-NH2 3.94Å; D1127-R1131 PolarHBondContact OD2-NH2 3.48Å
1128A49.9Very low48.3Very low30 Ų30110.5 Ų110.525%0.24856%0.558CS.*Hα-helixtrans-59.6-41.817400000112.8R1124 I1130 R1131 I1132R1124-A1128 WeakPolarHBondContact O-CB 3.22Å; R1124-A1128 PolarHBondContact O-N 2.92Å; A1128-I1130 VanDerWaalsContact C-N 3.28Å; A1128-I1130 PolarHBondContact O-N 3.35Å; A1128-R1131 PolarHBondContact O-N 2.76Å; A1128-I1132 VanDerWaalsContact O-CG1 3.31Å; A1128-I1132 WeakPolarHBondContact O-CG1 3.21Å; A1128-I1132 PolarHBondContact O-N 3.42Å
1129H53Low49.4Very low84 Ų84109.7 Ų109.739%0.38954%0.541SS..Hα-helixtrans-62.8-34.1175.2-78.454.5000112.4K193 W1125 A1126 D1127 A1133K193-H1129 PolarHBondContact NZ-NE2 3.41Å; W1125-H1129 AromaticContact CE3-CE1 3.76Å; W1125-H1129 PolarHBondContact O-N 2.89Å; W1125-H1129 PolarHBondContact O-ND1 2.91Å; A1126-H1129 PolarHBondContact O-N 3.49Å; D1127-H1129 PolarHBondContact O-N 3Å; H1129-A1133 WeakPolarHBondContact O-CB 3.46Å; H1129-A1133 PolarHBondContact O-N 3.39Å
1130I61.6Low50.5Low85 Ų85109.3 Ų109.344%0.43653%0.533SS..Hα-helixtrans-70.3-44.3176.1-67.7164.2000110.5A1126 D1127 A1128 I1132 A1133 L1134A1126-I1130 WeakPolarHBondContact O-CG1 3.44Å; A1126-I1130 PolarHBondContact O-N 3.46Å; A1126-I1130 VanDerWaalsContact O-N 3.09Å; D1127-I1130 WeakPolarHBondContact O-CB 3.3Å; D1127-I1130 PolarHBondContact O-N 3.47Å; D1127-I1130 VanDerWaalsContact O-N 3.1Å; A1128-I1130 VanDerWaalsContact C-N 3.28Å; A1128-I1130 PolarHBondContact O-N 3.35Å; I1130-I1132 PolarHBondContact O-N 3.24Å; I1130-A1133 PolarHBondContact O-N 2.8Å; I1130-L1134 HydrophobicContact CG2-CD1 3.97Å; I1130-L1134 HydrophobicContact CG2-CG 4.48Å; I1130-L1134 WeakPolarHBondContact O-CG 3.46Å; I1130-L1134 PolarHBondContact O-N 2.91Å
1131R57.5Low51.4Low159 Ų159104.5 Ų104.560%0.652%0.521SS*.Hα-helixtrans-59.5-46.6175.7-66.5173.5-164.9-96.8-4.4111.9D1127 A1128 A1133 L1134 F1135D1127-R1131 WeakPolarHBondContact O-CG 3.42Å; D1127-R1131 PolarHBondContact O-N 2.91Å; D1127-R1131 IonicContact OD1-NE 2.66Å; D1127-R1131 IonicContact OD1-NH2 3.62Å; D1127-R1131 IonicContact OD2-CZ 3.64Å; D1127-R1131 IonicContact OD2-NE 3.5Å; D1127-R1131 PolarHBondContact OD2-NE 2.88Å; D1127-R1131 IonicContact OD2-NH2 3.94Å; D1127-R1131 PolarHBondContact OD2-NH2 3.48Å; A1128-R1131 PolarHBondContact O-N 2.76Å; R1131-A1133 PolarHBondContact O-N 3.41Å; R1131-L1134 PolarHBondContact O-N 2.98Å; R1131-F1135 WeakPolarHBondContact O-CB 3.3Å; R1131-F1135 PolarHBondContact O-N 3.42Å
1132I63.3Low51.7Low62 Ų62100.2 Ų100.232%0.31851%0.505SS..Hα-helixtrans-62.6-41.8177-67.9165.2000111A1128 I1130 F1135 I1136A1128-I1132 VanDerWaalsContact O-CG1 3.31Å; A1128-I1132 WeakPolarHBondContact O-CG1 3.21Å; A1128-I1132 PolarHBondContact O-N 3.42Å; I1130-I1132 PolarHBondContact O-N 3.24Å; I1132-F1135 PolarHBondContact O-N 2.91Å; I1132-I1136 HydrophobicContact CG2-CD1 3.74Å; I1132-I1136 HydrophobicContact CG2-CG1 4.44Å; I1132-I1136 WeakPolarHBondContact O-CB 3.31Å; I1132-I1136 VanDerWaalsContact O-CG1 3.29Å; I1132-I1136 WeakPolarHBondContact O-CG1 3.41Å; I1132-I1136 PolarHBondContact O-N 3.15Å
1133A57Low52Low55 Ų5596.3 Ų96.346%0.45550%0.501SS..Hα-helixtrans-63-43.4176.100000112.4H1129 I1130 R1131 Q1137H1129-A1133 WeakPolarHBondContact O-CB 3.46Å; H1129-A1133 PolarHBondContact O-N 3.39Å; I1130-A1133 PolarHBondContact O-N 2.8Å; R1131-A1133 PolarHBondContact O-N 3.41Å; A1133-Q1137 VanDerWaalsContact O-CB 3.29Å; A1133-Q1137 WeakPolarHBondContact O-CB 3.35Å; A1133-Q1137 PolarHBondContact O-N 3.1Å
1134L61.7Low52Low104 Ų104102.1 Ų102.155%0.54551%0.513SS..Hα-helixtrans-64.7-40.2175.8-72169.3000112.2I1130 R1131 Q1137 H1138I1130-L1134 HydrophobicContact CG2-CD1 3.97Å; I1130-L1134 HydrophobicContact CG2-CG 4.48Å; I1130-L1134 WeakPolarHBondContact O-CG 3.46Å; I1130-L1134 PolarHBondContact O-N 2.91Å; R1131-L1134 PolarHBondContact O-N 2.98Å; L1134-Q1137 PolarHBondContact O-N 3.2Å; L1134-H1138 WeakPolarHBondContact O-CB 3.18Å; L1134-H1138 PolarHBondContact O-N 3.31Å
1135F60.1Low51.8Low129 Ų12995.6 Ų95.657%0.56651%0.508SS*.Hα-helixtrans-63.9-49.2175.6-179.6-103.1000111.8R1131 I1132 Q1137 H1138 C1139R1131-F1135 WeakPolarHBondContact O-CB 3.3Å; R1131-F1135 PolarHBondContact O-N 3.42Å; I1132-F1135 PolarHBondContact O-N 2.91Å; F1135-Q1137 PolarHBondContact O-N 2.89Å; F1135-H1138 WeakPolarHBondContact O-CB 3.37Å; F1135-H1138 PolarHBondContact O-N 2.92Å; F1135-H1138 VanDerWaalsContact O-N 3.12Å; F1135-C1139 PolarHBondContact O-N 2.58Å; F1135-C1139 PolarHBondContact O-SG 3.15Å; F1135-C1139 VanDerWaalsContact O-SG 3.34Å
1136I61.4Low51.3Low83 Ų8395 Ų9543%0.42652%0.515SS..Hα-helixtrans-60.1-37.2175.7-68.1168.4000111I1132 K1140I1132-I1136 HydrophobicContact CG2-CD1 3.74Å; I1132-I1136 HydrophobicContact CG2-CG1 4.44Å; I1132-I1136 WeakPolarHBondContact O-CB 3.31Å; I1132-I1136 VanDerWaalsContact O-CG1 3.29Å; I1132-I1136 WeakPolarHBondContact O-CG1 3.41Å; I1132-I1136 PolarHBondContact O-N 3.15Å; I1136-K1140 HydrophobicContact CG2-CD 4.14Å; I1136-K1140 WeakPolarHBondContact O-CB 3.43Å; I1136-K1140 VanDerWaalsContact O-CG 3.28Å; I1136-K1140 WeakPolarHBondContact O-CG 3.31Å; I1136-K1140 PolarHBondContact O-N 3.13Å; I1136-K1140 VanDerWaalsContact O-N 3.09Å
1137Q59.4Low50.7Low133 Ų133102.6 Ų102.662%0.62154%0.543SS*.Hα-helixtrans-66.1-44.7174.8-175.9171.6-17.900111.7A1133 L1134 F1135 K1140 S1141A1133-Q1137 VanDerWaalsContact O-CB 3.29Å; A1133-Q1137 WeakPolarHBondContact O-CB 3.35Å; A1133-Q1137 PolarHBondContact O-N 3.1Å; L1134-Q1137 PolarHBondContact O-N 3.2Å; F1135-Q1137 PolarHBondContact O-N 2.89Å; Q1137-K1140 PolarHBondContact O-N 2.84Å; Q1137-S1141 PolarHBondContact O-N 2.99Å; Q1137-S1141 PolarHBondContact O-OG 3.3Å; Q1137-S1141 VanDerWaalsContact O-OG 3.07Å
1138H62.6Low49.9Very low128 Ų128104 Ų10459%0.59356%0.558SS**Hα-helixtrans-60.7-48.3177.3-175.4-93.5000112.2L1134 F1135 K1140 S1141 S1142L1134-H1138 WeakPolarHBondContact O-CB 3.18Å; L1134-H1138 PolarHBondContact O-N 3.31Å; F1135-H1138 WeakPolarHBondContact O-CB 3.37Å; F1135-H1138 PolarHBondContact O-N 2.92Å; F1135-H1138 VanDerWaalsContact O-N 3.12Å; H1138-K1140 VanDerWaalsContact C-N 3.3Å; H1138-K1140 PolarHBondContact O-N 2.83Å; H1138-S1141 WeakPolarHBondContact CA-OG 3.5Å; H1138-S1141 PolarHBondContact O-N 2.97Å; H1138-S1141 PolarHBondContact O-OG 2.97Å; H1138-S1142 PolarHBondContact O-N 3.17Å
1139C51.2Low48.9Very low52 Ų52107.6 Ų107.635%0.35158%0.581SS.*Hα-helixtrans-57.7-42.9174.5-65.30000111.6F1135 S1142 T1143F1135-C1139 PolarHBondContact O-N 2.58Å; F1135-C1139 PolarHBondContact O-SG 3.15Å; F1135-C1139 VanDerWaalsContact O-SG 3.34Å; C1139-S1142 WeakPolarHBondContact O-CB 3.42Å; C1139-S1142 PolarHBondContact O-N 2.97Å; C1139-T1143 PolarHBondContact O-N 3.23Å; C1139-T1143 VanDerWaalsContact O-N 3.15Å; C1139-T1143 PolarHBondContact O-OG1 2.99Å; C1139-T1143 VanDerWaalsContact O-OG1 3.09Å
1140K50.3Low47.7Very low137 Ų137108.9 Ų108.960%0.59660%0.598SS**Hα-helixtrans-67.9-40.1178.8-76.2178.4179-174.50113.4I1136 Q1137 H1138 S1142 T1143I1136-K1140 HydrophobicContact CG2-CD 4.14Å; I1136-K1140 WeakPolarHBondContact O-CB 3.43Å; I1136-K1140 VanDerWaalsContact O-CG 3.28Å; I1136-K1140 WeakPolarHBondContact O-CG 3.31Å; I1136-K1140 PolarHBondContact O-N 3.13Å; I1136-K1140 VanDerWaalsContact O-N 3.09Å; Q1137-K1140 PolarHBondContact O-N 2.84Å; H1138-K1140 VanDerWaalsContact C-N 3.3Å; H1138-K1140 PolarHBondContact O-N 2.83Å; K1140-S1142 VanDerWaalsContact C-N 3.31Å; K1140-T1143 WeakPolarHBondContact CA-OG1 3.47Å; K1140-T1143 PolarHBondContact O-N 3.41Å; K1140-T1143 PolarHBondContact O-OG1 3.16Å
1141S48.1Very low46.2Very low76 Ų76111 Ų11153%0.53161%0.614SS.*Hα-helixtrans-63.7-36.4171.644.20000112.3Q1137 H1138 T1143 Q1144Q1137-S1141 PolarHBondContact O-N 2.99Å; Q1137-S1141 PolarHBondContact O-OG 3.3Å; Q1137-S1141 VanDerWaalsContact O-OG 3.07Å; H1138-S1141 WeakPolarHBondContact CA-OG 3.5Å; H1138-S1141 PolarHBondContact O-N 2.97Å; H1138-S1141 PolarHBondContact O-OG 2.97Å; S1141-T1143 VanDerWaalsContact C-N 3.3Å; S1141-T1143 PolarHBondContact O-N 3.27Å; S1141-Q1144 PolarHBondContact O-N 3.05Å
1142S42.4Very low44.8Very low72 Ų72108.8 Ų108.850%0.50361%0.613SS.*Hα-helixtrans-67.3-27.3177.1-166.30000113.3H1138 C1139 K1140H1138-S1142 PolarHBondContact O-N 3.17Å; C1139-S1142 WeakPolarHBondContact O-CB 3.42Å; C1139-S1142 PolarHBondContact O-N 2.97Å; K1140-S1142 VanDerWaalsContact C-N 3.31Å
1143T43.1Very low42.9Very low109 Ų109110.2 Ų110.267%0.66963%0.628SS**THydrogen-bonded Turntrans-89-6.2-178.742.20000115.3C1139 K1140 S1141C1139-T1143 PolarHBondContact O-N 3.23Å; C1139-T1143 VanDerWaalsContact O-N 3.15Å; C1139-T1143 PolarHBondContact O-OG1 2.99Å; C1139-T1143 VanDerWaalsContact O-OG1 3.09Å; K1140-T1143 WeakPolarHBondContact CA-OG1 3.47Å; K1140-T1143 PolarHBondContact O-N 3.41Å; K1140-T1143 PolarHBondContact O-OG1 3.16Å; S1141-T1143 VanDerWaalsContact C-N 3.3Å; S1141-T1143 PolarHBondContact O-N 3.27Å
1144Q38.9Very low41.3Very low180 Ų180113.4 Ų113.484%0.84165%0.647SS**SBendtrans-101.14.9179.1-69.4-166.2-29.300114.3S1141S1141-Q1144 PolarHBondContact O-N 3.05Å
1145G33.7Very low39.7Very low64 Ų64114.7 Ų114.766%0.6665%0.654SS**SBendtrans-110.5-1.1-176.600000116.7
1146L32.5Very low37.9Very low134 Ų134119.1 Ų119.170%0.70267%0.673SS**  trans-124.186.9-167.4-66.4173.5000112.8
1147Q30.6Very low36.2Very low206 Ų206119.5 Ų119.596%0.96368%0.683SS**  trans-10275.3158.4-78.9-166.2-17.900109.9
1148S30.6Very low34.5Very low101 Ų101118.4 Ų118.471%0.70669%0.685SS**SBendtrans-157.6161.6168500000111
1149S28.4Very low32.9Very low106 Ų106118.8 Ų118.874%0.74170%0.699SS**  trans-58.4146.1-163.7-142.20000114.9V1151S1149-V1151 PolarHBondContact O-N 3.25Å
1150P28Very low31.8Very low112 Ų112126.9 Ų126.973%0.72772%0.722SS**  trans-69.4130.8171.829.9-34.5000111.1
1151V28.7Very low30.7Very low130 Ų130128.1 Ų128.179%0.78874%0.735SS**  trans-125.398167.6-179.90000107.4S1149S1149-V1151 PolarHBondContact O-N 3.25Å
1152I28.2Very low29.7Very low112 Ų112129.4 Ų129.457%0.57474%0.741SS**  trans-90.8109.1174.8-61.9175.9000107.5
1153S23.6Very low28.9Very low91 Ų91133.5 Ų133.564%0.63676%0.756SS**  trans-174.7141.4154.623.30000112.9
1154S24.3Very low28Very low122 Ų122138.7 Ų138.785%0.85376%0.763SS**  trans73169.6166.1-156.10000117.9
1155I27.3Very low27.3Very low132 Ų132135.9 Ų135.968%0.67776%0.761SS**  trans79.366.9173.3-41.7180000115.6S1157I1155-S1157 VanDerWaalsContact C-N 3.34Å; I1155-S1157 PolarHBondContact O-N 2.9Å
1156F23.6Very low26.9Very low221 Ų221137.3 Ų137.397%0.96976%0.756SS**  -65.799.7129.6-125.4-81.7000107.2
1157S24Very low26.6Very low92 Ų92137.2 Ų137.264%0.64376%0.761SS**  trans-157.5129.9163.4-72.70000111.1I1155I1155-S1157 VanDerWaalsContact C-N 3.34Å; I1155-S1157 PolarHBondContact O-N 2.9Å
1158T25.1Very low26.4Very low109 Ų109138 Ų13867%0.66976%0.755SS**  trans-58.4137.3167.452.20000110.8R1160T1158-R1160 PolarHBondContact O-N 2.76Å
1159P28.9Very low26.2Very low136 Ų136144.1 Ų144.188%0.88376%0.763SS**  trans-71.169.4154.531.9-33.6000109.6L1161P1159-L1161 PolarHBondContact O-N 2.88Å
1160R28.7Very low26.1Very low222 Ų222147.2 Ų147.284%0.83877%0.77SS**  trans-68.1113.3152.5-95.8-171.4171.7-173.50.4106T1158T1158-R1160 PolarHBondContact O-N 2.76Å
1161L26.3Very low26Very low164 Ų164146.7 Ų146.786%0.85977%0.769SS**  trans-171.6159152.6-98.6163.5000106.8P1159P1159-L1161 PolarHBondContact O-N 2.88Å
1162P26.3Very low26Very low103 Ų103148.7 Ų148.767%0.66978%0.775SS**  -109.4165.3-112.238.6-33.7000113.7
1163I26.6Very low25.9Very low158 Ų158146.5 Ų146.581%0.8178%0.78SS**  -167.6148.6113-93.2150000109
1164R24Very low26.4Very low217 Ų217147.8 Ų147.882%0.81978%0.783SS**  trans-68.5156.8-172.9-65.1174.4178168.7-1.9112.5V1166R1164-V1166 PolarHBondContact O-N 3.38Å
1165P24Very low26.6Very low121 Ų121150.9 Ų150.979%0.78678%0.784SS**  trans-66.695.4165.828.9-34.5000110.4V1167P1165-V1167 PolarHBondContact O-N 3.25Å
1166V25.7Very low26.6Very low94 Ų94149.5 Ų149.557%0.5779%0.786SS**  trans-81.569.2177.7-171.10000110.4R1164 R1168R1164-V1166 PolarHBondContact O-N 3.38Å; V1166-R1168 HydrophobicContact CG1-CB 4.13Å; V1166-R1168 HydrophobicContact CG1-CG 3.68Å; V1166-R1168 PolarHBondContact O-N 2.74Å
1167V26.3Very low26.9Very low133 Ų133144.5 Ų144.581%0.80678%0.778SS**  trans-75.773.4164.9-174.60000108.6P1165 R1169P1165-V1167 PolarHBondContact O-N 3.25Å; V1167-R1169 PolarHBondContact O-N 2.77Å
1168R27Very low27.1Very low222 Ų222148.3 Ų148.384%0.83879%0.788SS**  trans-87.8101.9172.1-87179.3175.2163.3-2.9110.3V1166V1166-R1168 HydrophobicContact CG1-CB 4.13Å; V1166-R1168 HydrophobicContact CG1-CG 3.68Å; V1166-R1168 PolarHBondContact O-N 2.74Å
1169R26.4Very low27.4Very low230 Ų230147.9 Ų147.987%0.86879%0.787SS**  trans-72.7120156.5-85.1178.6159.1-176.6-6109.3V1167V1167-R1169 PolarHBondContact O-N 2.77Å
1170L26.3Very low27.3Very low171 Ų171145.8 Ų145.890%0.89578%0.776SS**  trans-146.3164.4153.1-78.4-174.7000108.8
1171S25.2Very low27.2Very low100 Ų100139.5 Ų139.570%0.69977%0.766SS**  trans-147.7155.9-147.1-48.50000115.6
1172L28.6Very low27.3Very low173 Ų173138.9 Ų138.991%0.90676%0.762SS**  trans73.1157.1149.8-73.4158.2000120.7
1173G26.6Very low27.3Very low66 Ų66140.6 Ų140.668%0.6876%0.764SS**  trans92.4107.9-175.900000112.8
1174V32.5Very low27.5Very low118 Ų118138.7 Ų138.772%0.71576%0.764SS**  cis74.2114.913.9-170.50000115.7
1175H30.5Very low27.6Very low187 Ų187131.8 Ų131.887%0.86676%0.761SS**  trans171.9147.2145.4-84.3-43.4000108.3
1176S27Very low27.9Very low102 Ų102132.4 Ų132.471%0.71377%0.765SS**  cis-157.2-158.8-5.859.40000111
1177S29.3Very low27.9Very low116 Ų116133.1 Ų133.181%0.81178%0.781SS**  trans62.673.8177.451.90000119.1
1178M28.5Very low28Very low172 Ų172133.4 Ų133.485%0.84778%0.778SS**  -28.7170.4122.6-110.5-144.4165.800116.1
1179P30.2Very low27.9Very low101 Ų101134.3 Ų134.366%0.65678%0.783SS**  cis-145.81783437.6-15000119.1
1180S27.2Very low28Very low91 Ų91130.2 Ų130.264%0.63678%0.778SS**  trans58.5144.9140.658.80000121.8
1181S27.7Very low28Very low91 Ų91127.4 Ų127.464%0.63677%0.773SS**  cis-179.6177.3-10.852.70000109.8
1182I27.6Very low28.1Very low151 Ų151128.1 Ų128.177%0.77478%0.778SS**  trans74136.2160.4-61.4159.2000115.6
1183I27.1Very low28.1Very low139 Ų139130.1 Ų130.171%0.71377%0.773SS**  cis-168.1165.9-32.9-123.5162.8000109.4
1184S29Very low28.1Very low117 Ų117135 Ų13582%0.81878%0.782SS**  trans66.2143.3161.665.20000121.6
1185G27.8Very low27.8Very low72 Ų72133.9 Ų133.974%0.74277%0.772SS**  trans115.375.4143.500000118.3
1186P29.5Very low27.6Very low135 Ų135131.7 Ų131.788%0.87777%0.765SS**  trans-84.1138.1167.734-31.9000112.1
1187A26.7Very low27.7Very low108 Ų108135.6 Ų135.689%0.89377%0.772SS**  trans-140.2137.9162.400000109.2
1188N26.4Very low27.5Very low140 Ų140134.6 Ų134.675%0.74977%0.765SS**  trans-130.1127.4-171.7174.624000109.2
1189Y26.4Very low27.6Very low240 Ų240132.1 Ų132.194%0.94176%0.759SS**  trans-149.1147.5164.8-100.9-70.4000112
1190N27.8Very low27.4Very low144 Ų144133.9 Ų133.977%0.7776%0.763SS**  trans-152.7119.6-168.2-178.912.8000110
1191S27.1Very low27.5Very low113 Ų113136.8 Ų136.879%0.7977%0.772SS**  trans-179.8155.2176.2-90.60000110.3
1192S27.6Very low27.5Very low114 Ų114139.4 Ų139.480%0.79778%0.779SS**  cis-159.9-176.7-8.949.60000110.8
1193R26.7Very low27.5Very low216 Ų216141.4 Ų141.482%0.81578%0.777SS**  trans-82.8162.1-174.5-54169.1175.7172.2-4.3113.3
1194I27.3Very low27.5Very low167 Ų167138.6 Ų138.686%0.85677%0.769SS**  -167.2169.9126.6-100.9154.9000108.4
1195N26.8Very low27.5Very low96 Ų96139.9 Ų139.951%0.51377%0.772SS.*  169.9125.8-61.8-102.862.7000108.6
1196I26.1Very low27.5Very low140 Ų140144.1 Ų144.172%0.71877%0.772SS**  trans41.2123.6140.4-49.3171.4000119.4
1197E29.3Very low27.9Very low185 Ų185143.3 Ų143.386%0.86477%0.767SS**  -174.9136.5116-94.4176.5-176.300107.7
1198S25.5Very low28.1Very low94 Ų94143.7 Ų143.766%0.65776%0.761SS**  cis112.9178.519.594.50000112.3
1199V29.3Very low28.2Very low120 Ų120142 Ų14273%0.72776%0.757SS**  trans70.592.2-173-169.80000113.8
1200N27.4Very low28.4Very low138 Ų138139 Ų13974%0.73876%0.756SS**  55.7121.582.3-79-16.1000116.4
1201N29.5Very low28.3Very low153 Ų153143.1 Ų143.182%0.81876%0.761SS**  -168.4155.6102.3-100-41.9000114.5
1202N27.1Very low28.6Very low146 Ų146142.5 Ų142.578%0.78176%0.755SS**  trans-89159.2-178.1-51.1-75.5000112.1
1203R27.9Very low28.8Very low193 Ų193142.1 Ų142.173%0.72875%0.749SS**  -172.7151.7102.1-146.8173.3-175.3-161.60.1112N230N230-R1203 PolarHBondContact O-NH1 2.91Å; N230-R1203 PolarHBondContact O-NH2 3.36Å
1204S26.8Very low28.8Very low80 Ų80136.6 Ų136.656%0.55974%0.744SS**  trans-98.1153.4171.5171.10000111.3
1205T29.4Very low28.9Very low144 Ų144138.2 Ų138.288%0.88375%0.745SS**  trans-149.9121.215213.30000111.5
1206H27.3Very low28.9Very low161 Ų161140.1 Ų140.175%0.74575%0.754SS**  trans-79.2-169.7159.1-60.5-103.8000109
1207P36.8Very low29Very low118 Ų118139.1 Ų139.177%0.76676%0.757SS**  cis-118.2-137.6-11.429.7-3.9000107.9
1208P31Very low28.9Very low116 Ų116133.5 Ų133.575%0.75374%0.738SS**  cis-129.1-133-1250.1-30.5000111.1
1209P29.6Very low29Very low105 Ų105137 Ų13768%0.68274%0.744SS**  trans-126.1-176-153.537.3-13.7000115.8
1210L29.7Very low28.8Very low175 Ų175136 Ų13692%0.91673%0.734SS**  178.7159117.2-92.7165.1000112.4
1211R27.3Very low28.9Very low232 Ų232136.8 Ų136.888%0.87573%0.733SS**PPolyproline II helixtrans-92.9164.6-174.8-109.9-176.1162.1158-5112.8
1212P31.8Very low28.8Very low100 Ų100135.6 Ų135.665%0.64973%0.727SS**PPolyproline II helixtrans-99169.1-17040.3-37.1000114.2
1213P31.8Very low28.8Very low106 Ų106133.7 Ų133.769%0.68872%0.722SS**PPolyproline II helixtrans-80.3131.714633.8-28.5000109
1214S27.3Very low28.7Very low100 Ų100131.5 Ų131.570%0.69972%0.723SS**  cis68.174.430.2940000114.6
1215F29.2Very low28.8Very low200 Ų200135.7 Ų135.788%0.87774%0.74SS**  trans-13791.5154.5-90.2-73000110.4
1216L27.5Very low28.6Very low136 Ų136133.5 Ų133.571%0.71273%0.73SS**  trans-76.5153.8146.6-72.9162.2000107.7S1218L1216-S1218 WeakPolarHBondContact CB-OG 3.43Å
1217P28.6Very low28.7Very low120 Ų120132.5 Ų132.578%0.77974%0.735SS**  -111.5143.283.933.1-33.9000111.4
1218S25.8Very low28.2Very low67 Ų67131.3 Ų131.347%0.46973%0.729SS.*  cis55.2124.61285.70000117.5L1216L1216-S1218 WeakPolarHBondContact CB-OG 3.43Å
1219Q27.1Very low28.2Very low166 Ų166131.3 Ų131.378%0.77673%0.732SS**  trans80.6140.4172.1-53-160.845.400114
1220L26.8Very low28.1Very low100 Ų100132.6 Ų132.652%0.52473%0.734SS.*  cis-159.3169.95.1-131173.6000112.4N1222L1220-N1222 WeakPolarHBondContact CD2-ND2 3.44Å
1221H28.5Very low28.1Very low155 Ų155131.6 Ų131.672%0.71873%0.729SS**  trans89113.1171.3-50.1102.9000115.7
1222N26.9Very low28.2Very low128 Ų128127.1 Ų127.168%0.68472%0.723SS**  cis85144.637-62.1-13.9000113.6L1220L1220-N1222 WeakPolarHBondContact CD2-ND2 3.44Å
1223P27.4Very low28.3Very low105 Ų105130 Ų13068%0.68273%0.733SS**  cis-139.2173.8-30.238.4-21.6000114.5N1225P1223-N1225 PolarHBondContact O-N 3.44Å
1224I25.6Very low28.3Very low147 Ų147132 Ų13275%0.75474%0.738SS**  trans10.6108.2142.4-53.7167000115.7S1226I1224-S1226 PolarHBondContact O-N 3.16Å
1225N28.8Very low28.6Very low169 Ų169135.1 Ų135.190%0.90475%0.746SS**  trans-83.991.2161.9-126.8-9.9000108.8P1223 V1227P1223-N1225 PolarHBondContact O-N 3.44Å; N1225-V1227 PolarHBondContact O-N 3.44Å
1226S26Very low28.5Very low97 Ų97132.7 Ų132.768%0.67874%0.742SS**  trans-80.9100.4-177.356.30000111.8I1224 S1228I1224-S1226 PolarHBondContact O-N 3.16Å; S1226-S1228 PolarHBondContact O-N 3.45Å
1227V29.6Very low28.6Very low141 Ų141133.8 Ų133.886%0.85575%0.749SS**  trans-84.2100.6161.7179.80000108.3N1225N1225-V1227 PolarHBondContact O-N 3.44Å
1228S25Very low28.6Very low92 Ų92133.8 Ų133.864%0.64375%0.752SS**  trans-71.7128.8177.1178.30000111.4S1226S1226-S1228 PolarHBondContact O-N 3.45Å
1229S31.1Very low28.7Very low116 Ų116133.9 Ų133.981%0.81176%0.763SS**  trans-144.799.8155.5-94.90000110.2
1230N27.3Very low28.8Very low133 Ų133132.3 Ų132.371%0.71177%0.768SS**  trans-32.9134.5163.5-61.8-38.4000114.2
1231N31Very low28.8Very low153 Ų153133.2 Ų133.282%0.81878%0.782SS**  -168.9155.394.2-96.9-38.8000113.5
1232N30Very low28.8Very low139 Ų139132.4 Ų132.474%0.74378%0.782SS**  trans-75.6148.5179.6-55.4-53.9000111.8
1233N32.7Very low28.8Very low161 Ų161130.8 Ų130.886%0.86178%0.778SS**  -172146.5104.8-94.1-29.8000113.4
1234N32.4Very low28.9Very low148 Ų148131.3 Ų131.379%0.79178%0.784SS**  trans-76.9148.8172.8-64.9-38.4000111.2
1235N32.3Very low29.2Very low165 Ų165126.3 Ų126.388%0.88276%0.762SS**  -159.9138.7129.1-106.5-32.9000111.6
1236N28.7Very low29.4Very low149 Ų149122.7 Ų122.780%0.79774%0.742SS**  trans-84.8136.2-177.7-61.6-40.6000111
1237N29.9Very low29.8Very low159 Ų159123.9 Ų123.985%0.8574%0.741SS**  trans-171.3145.9138.1-103.1-36.7000114
1238S27.3Very low30Very low120 Ų120120.2 Ų120.284%0.83972%0.721SS**  trans53.8122.315860.50000121
1239G28.7Very low30.5Very low69 Ų69119.9 Ų119.971%0.71171%0.712SS**  trans136119.6153.700000114.6
1240P27.9Very low30.8Very low133 Ų133117.5 Ų117.586%0.86469%0.69SS**PPolyproline II helixtrans-71.2140.1169.130.5-33.2000110.7I1242P1240-I1242 PolarHBondContact O-N 2.73Å
1241S27.2Very low31.6Very low119 Ų119114.2 Ų114.283%0.83268%0.678SS**PPolyproline II helixtrans-67.7126.5-175.452.10000113.1
1242I28.3Very low32.3Very low138 Ų138113 Ų11371%0.70867%0.665SS**PPolyproline II helixtrans-67.6137.1171.4-61.4173.2000109.2P1240 I1246P1240-I1242 PolarHBondContact O-N 2.73Å; I1242-I1246 HydrophobicContact CG2-CD1 4.04Å
1243P28.5Very low33.2Very low94 Ų94114.5 Ų114.561%0.6166%0.66SS**PPolyproline II helixtrans-66.1145.917927.2-35.4000112.5S1245P1243-S1245 PolarHBondContact O-N 2.8Å
1244S29.4Very low34.1Very low115 Ų115107.5 Ų107.580%0.80463%0.626SS**THydrogen-bonded Turntrans-77.130.2-173.159.10000115.1
1245S31.3Very low35.3Very low42 Ų42107 Ų10729%0.29462%0.619SS.*THydrogen-bonded Turntrans-94.3-5.8-176.560.40000114.5P1243 S1248P1243-S1245 PolarHBondContact O-N 2.8Å; S1245-S1248 PolarHBondContact O-OG 3.35Å
1246I33.1Very low36.4Very low93 Ų93102.7 Ų102.748%0.47760%0.595SS.*Hα-helixtrans-80.5-28.1-178.5-57.5175.5000111.2I1242 S1248 D1249 I1250I1242-I1246 HydrophobicContact CG2-CD1 4.04Å; I1246-S1248 PolarHBondContact O-N 3.18Å; I1246-D1249 PolarHBondContact O-N 3.08Å; I1246-I1250 HydrophobicContact CG2-CD1 3.86Å; I1246-I1250 HydrophobicContact CG2-CG1 4.5Å; I1246-I1250 WeakPolarHBondContact O-CG1 3.43Å; I1246-I1250 PolarHBondContact O-N 3.42Å
1247N34.1Very low37.5Very low123 Ų12397.1 Ų97.166%0.65856%0.564SS**Hα-helixtrans-69.9-30.2-178.5-70.713.4000112.9S1251N1247-S1251 WeakPolarHBondContact O-CB 3.4Å; N1247-S1251 PolarHBondContact O-N 3.49Å; N1247-S1251 PolarHBondContact O-OG 3.31Å
1248S34.3Very low38.7Very low63 Ų6393.2 Ų93.244%0.44154%0.543SS..Hα-helixtrans-63.3-48.2175.736.90000111.2S1245 I1246 I1250 S1251 F1252S1245-S1248 PolarHBondContact O-OG 3.35Å; I1246-S1248 PolarHBondContact O-N 3.18Å; S1248-I1250 PolarHBondContact O-N 3.5Å; S1248-S1251 PolarHBondContact O-N 2.66Å; S1248-S1251 VanDerWaalsContact O-N 3.15Å; S1248-S1251 PolarHBondContact O-OG 3.08Å; S1248-F1252 PolarHBondContact O-N 3.36Å
1249D34Very low40.2Very low85 Ų8593 Ų9346%0.45553%0.529SS..Hα-helixtrans-65.4-40.7-177.7-61.1-3.9000111.3I1246 F1252 W1253I1246-D1249 PolarHBondContact O-N 3.08Å; D1249-F1252 PolarHBondContact O-N 3.17Å; D1249-W1253 PolarHBondContact O-N 2.86Å
1250I38.8Very low41.6Very low66 Ų6695.4 Ų95.434%0.33852%0.52SS..Hα-helixtrans-64.2-40.8174.5-65.3169.4000110.8I1246 S1248 F1252 W1253 G1254 V1297I1246-I1250 HydrophobicContact CG2-CD1 3.86Å; I1246-I1250 HydrophobicContact CG2-CG1 4.5Å; I1246-I1250 WeakPolarHBondContact O-CG1 3.43Å; I1246-I1250 PolarHBondContact O-N 3.42Å; S1248-I1250 PolarHBondContact O-N 3.5Å; I1250-F1252 VanDerWaalsContact C-N 3.34Å; I1250-W1253 PolarHBondContact O-N 3.21Å; I1250-G1254 PolarHBondContact O-N 2.95Å; I1250-V1297 HydrophobicContact CD1-CG1 3.98Å; I1250-V1297 HydrophobicContact CG2-CG1 4.03Å
1251S44.1Very low43Very low65 Ų6590 Ų9046%0.45548%0.483SS..Hα-helixtrans-67-34.3175.974.90000112.8N1247 S1248 G1254 H1255N1247-S1251 WeakPolarHBondContact O-CB 3.4Å; N1247-S1251 PolarHBondContact O-N 3.49Å; N1247-S1251 PolarHBondContact O-OG 3.31Å; S1248-S1251 PolarHBondContact O-N 2.66Å; S1248-S1251 VanDerWaalsContact O-N 3.15Å; S1248-S1251 PolarHBondContact O-OG 3.08Å; S1251-G1254 PolarHBondContact O-N 2.71Å; S1251-H1255 WeakPolarHBondContact O-CB 3.47Å; S1251-H1255 PolarHBondContact O-CD2 3.4Å; S1251-H1255 PolarHBondContact O-N 2.89Å
1252F44.8Very low44.2Very low126 Ų12688.2 Ų88.255%0.55347%0.465SS*.Hα-helixtrans-65.4-49.8173.6173.8-95.9000111.4S1248 D1249 I1250 G1254 H1255 L1256S1248-F1252 PolarHBondContact O-N 3.36Å; D1249-F1252 PolarHBondContact O-N 3.17Å; I1250-F1252 VanDerWaalsContact C-N 3.34Å; F1252-G1254 VanDerWaalsContact C-N 3.3Å; F1252-G1254 PolarHBondContact O-N 3.4Å; F1252-H1255 PolarHBondContact O-N 2.82Å; F1252-L1256 HydrophobicContact CE1-CD2 4.11Å; F1252-L1256 HydrophobicContact CZ-CD2 4.32Å; F1252-L1256 WeakPolarHBondContact O-CB 3.23Å; F1252-L1256 PolarHBondContact O-N 3.26Å
1253W49.4Very low45.1Very low171 Ų17185.4 Ų85.465%0.64845%0.451SS*.Hα-helixtrans-63-36.4175.3-78.2107.7000112.4D1249 I1250 L1256 F1257D1249-W1253 PolarHBondContact O-N 2.86Å; I1250-W1253 PolarHBondContact O-N 3.21Å; W1253-L1256 HydrophobicContact CE3-CD2 4.12Å; W1253-L1256 HydrophobicContact CZ3-CD2 3.96Å; W1253-F1257 WeakPolarHBondContact O-CB 3.33Å; W1253-F1257 PolarHBondContact O-N 3.42Å
1254G52.5Low46Very low14 Ų1483 Ų8314%0.14443%0.433CS..Hα-helixtrans-62.2-43.4172.400000112.8I1250 S1251 F1252 N1258I1250-G1254 PolarHBondContact O-N 2.95Å; S1251-G1254 PolarHBondContact O-N 2.71Å; F1252-G1254 VanDerWaalsContact C-N 3.3Å; F1252-G1254 PolarHBondContact O-N 3.4Å; G1254-N1258 VanDerWaalsContact O-CB 3.27Å; G1254-N1258 WeakPolarHBondContact O-CB 3.43Å; G1254-N1258 PolarHBondContact O-N 2.6Å; G1254-N1258 PolarHBondContact O-ND2 2.93Å; G1254-N1258 VanDerWaalsContact O-ND2 3.11Å
1255H56.1Low46.8Very low139 Ų13979.8 Ų79.864%0.64441%0.411SS*.Hα-helixtrans-66.2-48.4174.2-94.1-75.8000112.4S1251 F1252 F1257 N1258 E1259S1251-H1255 WeakPolarHBondContact O-CB 3.47Å; S1251-H1255 PolarHBondContact O-CD2 3.4Å; S1251-H1255 PolarHBondContact O-N 2.89Å; F1252-H1255 PolarHBondContact O-N 2.82Å; H1255-F1257 VanDerWaalsContact C-N 3.33Å; H1255-F1257 PolarHBondContact O-N 3Å; H1255-N1258 PolarHBondContact O-N 2.73Å; H1255-E1259 WeakPolarHBondContact O-CB 3.14Å; H1255-E1259 PolarHBondContact O-N 3.09Å
1256L56.6Low47.5Very low73 Ų7384 Ų8438%0.38242%0.424SS..Hα-helixtrans-63.2-38.8-179.7-171.668.4000111.7F1252 W1253 F1260F1252-L1256 HydrophobicContact CE1-CD2 4.11Å; F1252-L1256 HydrophobicContact CZ-CD2 4.32Å; F1252-L1256 WeakPolarHBondContact O-CB 3.23Å; F1252-L1256 PolarHBondContact O-N 3.26Å; W1253-L1256 HydrophobicContact CE3-CD2 4.12Å; W1253-L1256 HydrophobicContact CZ3-CD2 3.96Å; L1256-F1260 VanDerWaalsContact O-CB 3.25Å; L1256-F1260 WeakPolarHBondContact O-CB 3.41Å; L1256-F1260 PolarHBondContact O-N 3.03Å
1257F50.8Low48Very low33 Ų3386.7 Ų86.715%0.14543%0.434CS..Hα-helixtrans-69-43173.6-178.6-108.7000112.1W1253 H1255 E1259 F1260 M1261 F1286 M1290W1253-F1257 WeakPolarHBondContact O-CB 3.33Å; W1253-F1257 PolarHBondContact O-N 3.42Å; H1255-F1257 VanDerWaalsContact C-N 3.33Å; H1255-F1257 PolarHBondContact O-N 3Å; F1257-E1259 VanDerWaalsContact C-N 3.31Å; F1257-E1259 PolarHBondContact O-N 3.1Å; F1257-F1260 HydrophobicContact CD2-CD1 4.33Å; F1257-F1260 HydrophobicContact CE2-CD1 4.4Å; F1257-F1260 PolarHBondContact O-N 3.28Å; F1257-M1261 HydrophobicContact CD1-CG 4.17Å; F1257-M1261 HydrophobicContact CD2-CG 3.98Å; F1257-M1261 HydrophobicContact CE1-CG 3.68Å; F1257-M1261 HydrophobicContact CE2-CG 3.46Å; F1257-M1261 VanDerWaalsContact CE2-CG 3.46Å; F1257-M1261 HydrophobicContact CE2-SD 3.66Å; F1257-M1261 HydrophobicContact CG-CG 4.32Å; F1257-M1261 HydrophobicContact CZ-CE 4.24Å; F1257-M1261 HydrophobicContact CZ-CG 3.3Å; F1257-M1261 HydrophobicContact CZ-SD 3.73Å; F1257-M1261 WeakPolarHBondContact O-CB 3.36Å; F1257-M1261 VanDerWaalsContact O-CG 3.3Å; F1257-M1261 WeakPolarHBondContact O-CG 3.23Å; F1257-M1261 PolarHBondContact O-N 3.19Å; F1257-F1286 HydrophobicContact CE2-CE1 4.39Å; F1257-M1290 HydrophobicContact CD1-SD 3.74Å; F1257-M1290 HydrophobicContact CD2-CE 4.02Å; F1257-M1290 HydrophobicContact CD2-SD 3.6Å; F1257-M1290 VanDerWaalsContact CD2-SD 3.6Å; F1257-M1290 HydrophobicContact CE1-CB 4.22Å; F1257-M1290 HydrophobicContact CE1-CE 4.33Å; F1257-M1290 HydrophobicContact CE1-CG 4.29Å; F1257-M1290 HydrophobicContact CE1-SD 3.54Å; F1257-M1290 VanDerWaalsContact CE1-SD 3.54Å; F1257-M1290 HydrophobicContact CE2-CE 3.37Å; F1257-M1290 HydrophobicContact CE2-SD 3.41Å; F1257-M1290 WeakPolarHBondContact CE2-SD 3.43Å; F1257-M1290 HydrophobicContact CG-SD 3.76Å; F1257-M1290 HydrophobicContact CZ-CB 4.22Å; F1257-M1290 HydrophobicContact CZ-CE 3.54Å; F1257-M1290 HydrophobicContact CZ-CG 4.36Å; F1257-M1290 HydrophobicContact CZ-SD 3.37Å; F1257-M1290 WeakPolarHBondContact CZ-SD 3.29Å
1258N55.3Low48.3Very low76 Ų7684.5 Ų84.541%0.40642%0.419SS..Hα-helixtrans-62.7-38.2174.8-77.4-29.4000111.7G1254 H1255 N1262G1254-N1258 VanDerWaalsContact O-CB 3.27Å; G1254-N1258 WeakPolarHBondContact O-CB 3.43Å; G1254-N1258 PolarHBondContact O-N 2.6Å; G1254-N1258 PolarHBondContact O-ND2 2.93Å; G1254-N1258 VanDerWaalsContact O-ND2 3.11Å; H1255-N1258 PolarHBondContact O-N 2.73Å; N1258-N1262 VanDerWaalsContact O-CB 3.22Å; N1258-N1262 WeakPolarHBondContact O-CB 2.98Å; N1258-N1262 VanDerWaalsContact O-CG 3.27Å; N1258-N1262 PolarHBondContact O-N 3.3Å; N1258-N1262 PolarHBondContact O-ND2 2.8Å
1259E59.8Low48.7Very low116 Ų11688.3 Ų88.354%0.54243%0.434SS..Hα-helixtrans-66.8-47.3174.4-176.4170.1-168.800111.5H1255 F1257 M1261 N1262 N1263H1255-E1259 WeakPolarHBondContact O-CB 3.14Å; H1255-E1259 PolarHBondContact O-N 3.09Å; F1257-E1259 VanDerWaalsContact C-N 3.31Å; F1257-E1259 PolarHBondContact O-N 3.1Å; E1259-M1261 PolarHBondContact O-N 3.37Å; E1259-N1262 PolarHBondContact O-N 2.97Å; E1259-N1263 PolarHBondContact O-N 3.47Å; E1259-N1263 PolarHBondContact O-ND2 3.42Å
1260F57.6Low49.1Very low120 Ų12091 Ų9153%0.52645%0.448SS..Hα-helixtrans-53.6-50.8173.4178-107.7000111.2L1256 F1257 N1262 N1263 L1264L1256-F1260 VanDerWaalsContact O-CB 3.25Å; L1256-F1260 WeakPolarHBondContact O-CB 3.41Å; L1256-F1260 PolarHBondContact O-N 3.03Å; F1257-F1260 HydrophobicContact CD2-CD1 4.33Å; F1257-F1260 HydrophobicContact CE2-CD1 4.4Å; F1257-F1260 PolarHBondContact O-N 3.28Å; F1260-N1262 PolarHBondContact O-N 2.93Å; F1260-N1263 PolarHBondContact O-N 2.77Å; F1260-L1264 HydrophobicContact CD1-CD1 4.19Å; F1260-L1264 HydrophobicContact CE1-CD1 3.51Å; F1260-L1264 HydrophobicContact CE2-CD1 4.07Å; F1260-L1264 HydrophobicContact CZ-CD1 3.45Å; F1260-L1264 VanDerWaalsContact CZ-CD1 3.45Å; F1260-L1264 VanDerWaalsContact O-CB 3.31Å; F1260-L1264 WeakPolarHBondContact O-CB 3.37Å; F1260-L1264 PolarHBondContact O-N 3.48Å
1261M56.4Low49.3Very low18 Ų1891.4 Ų91.49%0.08946%0.457CS..Hα-helixtrans-71.1-28.3179.6-63.4-56.5-76.700113.6F1257 E1259 S1265 Y1287F1257-M1261 HydrophobicContact CD1-CG 4.17Å; F1257-M1261 HydrophobicContact CD2-CG 3.98Å; F1257-M1261 HydrophobicContact CE1-CG 3.68Å; F1257-M1261 HydrophobicContact CE2-CG 3.46Å; F1257-M1261 VanDerWaalsContact CE2-CG 3.46Å; F1257-M1261 HydrophobicContact CE2-SD 3.66Å; F1257-M1261 HydrophobicContact CG-CG 4.32Å; F1257-M1261 HydrophobicContact CZ-CE 4.24Å; F1257-M1261 HydrophobicContact CZ-CG 3.3Å; F1257-M1261 HydrophobicContact CZ-SD 3.73Å; F1257-M1261 WeakPolarHBondContact O-CB 3.36Å; F1257-M1261 VanDerWaalsContact O-CG 3.3Å; F1257-M1261 WeakPolarHBondContact O-CG 3.23Å; F1257-M1261 PolarHBondContact O-N 3.19Å; E1259-M1261 PolarHBondContact O-N 3.37Å; M1261-S1265 VanDerWaalsContact O-CB 3.3Å; M1261-S1265 WeakPolarHBondContact O-CB 3.37Å; M1261-S1265 PolarHBondContact O-N 3.5Å; M1261-S1265 PolarHBondContact O-OG 2.96Å; M1261-Y1287 HydrophobicContact CE-CD2 3.48Å; M1261-Y1287 VanDerWaalsContact CE-CD2 3.48Å; M1261-Y1287 HydrophobicContact CE-CE2 3.78Å
1262N52.9Low49.1Very low83 Ų8391.2 Ų91.244%0.44445%0.45SS..Hα-helixtrans-70.1-33.1171.3-85.5-57.3000112.4N1258 E1259 F1260 S1265 K1266N1258-N1262 VanDerWaalsContact O-CB 3.22Å; N1258-N1262 WeakPolarHBondContact O-CB 2.98Å; N1258-N1262 VanDerWaalsContact O-CG 3.27Å; N1258-N1262 PolarHBondContact O-N 3.3Å; N1258-N1262 PolarHBondContact O-ND2 2.8Å; E1259-N1262 PolarHBondContact O-N 2.97Å; F1260-N1262 PolarHBondContact O-N 2.93Å; N1262-S1265 WeakPolarHBondContact CA-OG 3.38Å; N1262-S1265 PolarHBondContact O-OG 3.13Å; N1262-K1266 WeakPolarHBondContact O-CB 3.48Å; N1262-K1266 VanDerWaalsContact O-CD 3.28Å; N1262-K1266 WeakPolarHBondContact O-CD 3.44Å; N1262-K1266 WeakPolarHBondContact O-CG 3.41Å; N1262-K1266 PolarHBondContact O-N 3Å
1263N47.7Very low49Very low78 Ų7890.6 Ų90.642%0.41746%0.459SS..Hα-helixtrans-79.2-41.7174.8-67.9-24.1000110.9E1259 F1260 S1265 K1266 E1267E1259-N1263 PolarHBondContact O-N 3.47Å; E1259-N1263 PolarHBondContact O-ND2 3.42Å; F1260-N1263 PolarHBondContact O-N 2.77Å; N1263-S1265 PolarHBondContact O-N 3.19Å; N1263-K1266 PolarHBondContact O-N 2.84Å; N1263-E1267 PolarHBondContact O-N 3.5Å
1264L47.9Very low48.6Very low43 Ų4386.9 Ų86.923%0.22545%0.452CS..Hα-helixtrans-61.1-46.3175.2-138.6154.3000110.9F1260 K1266 E1267 F1268F1260-L1264 HydrophobicContact CD1-CD1 4.19Å; F1260-L1264 HydrophobicContact CE1-CD1 3.51Å; F1260-L1264 HydrophobicContact CE2-CD1 4.07Å; F1260-L1264 HydrophobicContact CZ-CD1 3.45Å; F1260-L1264 VanDerWaalsContact CZ-CD1 3.45Å; F1260-L1264 VanDerWaalsContact O-CB 3.31Å; F1260-L1264 WeakPolarHBondContact O-CB 3.37Å; F1260-L1264 PolarHBondContact O-N 3.48Å; L1264-K1266 PolarHBondContact O-N 3.45Å; L1264-E1267 PolarHBondContact O-N 3.26Å; L1264-F1268 HydrophobicContact CD2-CB 3.96Å; L1264-F1268 HydrophobicContact CD2-CD2 3.77Å; L1264-F1268 HydrophobicContact CD2-CE2 4.39Å; L1264-F1268 HydrophobicContact CD2-CG 3.97Å; L1264-F1268 WeakPolarHBondContact O-CA 3.39Å; L1264-F1268 WeakPolarHBondContact O-CB 3.31Å; L1264-F1268 PolarHBondContact O-N 3.23Å
1265S45.7Very low48.1Very low49 Ų4987.3 Ų87.334%0.34345%0.452SS..Hα-helixtrans-61.1-40.9173.751.90000112.7M1261 N1262 N1263 L1269M1261-S1265 VanDerWaalsContact O-CB 3.3Å; M1261-S1265 WeakPolarHBondContact O-CB 3.37Å; M1261-S1265 PolarHBondContact O-N 3.5Å; M1261-S1265 PolarHBondContact O-OG 2.96Å; N1262-S1265 WeakPolarHBondContact CA-OG 3.38Å; N1262-S1265 PolarHBondContact O-OG 3.13Å; N1263-S1265 PolarHBondContact O-N 3.19Å; S1265-L1269 WeakPolarHBondContact O-CB 3.33Å; S1265-L1269 WeakPolarHBondContact O-CD1 3.36Å; S1265-L1269 WeakPolarHBondContact O-CG 3.45Å; S1265-L1269 PolarHBondContact O-N 2.93Å
1266K45.1Very low47.5Very low131 Ų13188 Ų8857%0.5745%0.453SS*.Hα-helixtrans-68.3-35.4178.2-74.7169.7-169167.90114.1N1262 N1263 L1264 N1270N1262-K1266 WeakPolarHBondContact O-CB 3.48Å; N1262-K1266 VanDerWaalsContact O-CD 3.28Å; N1262-K1266 WeakPolarHBondContact O-CD 3.44Å; N1262-K1266 WeakPolarHBondContact O-CG 3.41Å; N1262-K1266 PolarHBondContact O-N 3Å; N1263-K1266 PolarHBondContact O-N 2.84Å; L1264-K1266 PolarHBondContact O-N 3.45Å; K1266-N1270 PolarHBondContact O-ND2 2.66Å
1267E44.9Very low47.1Very low149 Ų14991.1 Ų91.170%0.69647%0.47SS*.Hα-helixtrans-85.7-43.7178.1-66.5-16414100112.3N1263 L1264 N1270 S1271N1263-E1267 PolarHBondContact O-N 3.5Å; L1264-E1267 PolarHBondContact O-N 3.26Å; E1267-N1270 PolarHBondContact O-N 3.45Å; E1267-S1271 VanDerWaalsContact O-CB 3.29Å; E1267-S1271 WeakPolarHBondContact O-CB 3.49Å; E1267-S1271 PolarHBondContact O-N 3.5Å; E1267-S1271 VanDerWaalsContact O-N 3.16Å; E1267-S1271 PolarHBondContact O-OG 3.16Å
1268F40.3Very low46.8Very low77 Ų7794.3 Ų94.334%0.33849%0.492SS..Hα-helixtrans-74-34.3-172.4-145.9-94.1000112.3L1264 N1270 I1272L1264-F1268 HydrophobicContact CD2-CB 3.96Å; L1264-F1268 HydrophobicContact CD2-CD2 3.77Å; L1264-F1268 HydrophobicContact CD2-CE2 4.39Å; L1264-F1268 HydrophobicContact CD2-CG 3.97Å; L1264-F1268 WeakPolarHBondContact O-CA 3.39Å; L1264-F1268 WeakPolarHBondContact O-CB 3.31Å; L1264-F1268 PolarHBondContact O-N 3.23Å; F1268-N1270 VanDerWaalsContact C-N 3.27Å; F1268-N1270 PolarHBondContact O-N 2.92Å; F1268-I1272 HydrophobicContact CD1-CD1 4.03Å; F1268-I1272 HydrophobicContact CD2-CD1 4.12Å; F1268-I1272 HydrophobicContact CE1-CD1 3.74Å; F1268-I1272 HydrophobicContact CE2-CD1 3.84Å; F1268-I1272 HydrophobicContact CG-CD1 4.21Å; F1268-I1272 HydrophobicContact CZ-CD1 3.65Å
1269L41.6Very low46.4Very low143 Ų14395.9 Ų95.975%0.74950%0.497SS*.Hα-helixtrans-70.7-19.9172.3-66.4172.6000113.4S1265S1265-L1269 WeakPolarHBondContact O-CB 3.33Å; S1265-L1269 WeakPolarHBondContact O-CD1 3.36Å; S1265-L1269 WeakPolarHBondContact O-CG 3.45Å; S1265-L1269 PolarHBondContact O-N 2.93Å
1270N43.6Very low46.1Very low141 Ų14194.7 Ų94.775%0.75449%0.494SS*.Hα-helixtrans-101.3-5.4-178.8-78-58.1000114K1266 E1267 F1268K1266-N1270 PolarHBondContact O-ND2 2.66Å; E1267-N1270 PolarHBondContact O-N 3.45Å; F1268-N1270 VanDerWaalsContact C-N 3.27Å; F1268-N1270 PolarHBondContact O-N 2.92Å
1271S41.9Very low45.9Very low75 Ų7590.9 Ų90.952%0.52449%0.485SS..Hα-helixtrans-121.2-12.1-169.956.30000116.1E1267E1267-S1271 VanDerWaalsContact O-CB 3.29Å; E1267-S1271 WeakPolarHBondContact O-CB 3.49Å; E1267-S1271 PolarHBondContact O-N 3.5Å; E1267-S1271 VanDerWaalsContact O-N 3.16Å; E1267-S1271 PolarHBondContact O-OG 3.16Å
1272I40.8Very low45.8Very low61 Ų6194.4 Ų94.431%0.31350%0.503SS..  trans-131.491.8-175.1-42.8-177.6000112.1F1268 D1274 C1275F1268-I1272 HydrophobicContact CD1-CD1 4.03Å; F1268-I1272 HydrophobicContact CD2-CD1 4.12Å; F1268-I1272 HydrophobicContact CE1-CD1 3.74Å; F1268-I1272 HydrophobicContact CE2-CD1 3.84Å; F1268-I1272 HydrophobicContact CG-CD1 4.21Å; F1268-I1272 HydrophobicContact CZ-CD1 3.65Å; I1272-D1274 PolarHBondContact O-N 2.96Å; I1272-C1275 HydrophobicContact CB-CB 4.21Å; I1272-C1275 HydrophobicContact CG2-CB 3.79Å
1273P41.7Very low45.8Very low113 Ų11393.7 Ų93.773%0.73450%0.499SS*.THydrogen-bonded Turntrans-63.7-26.4170-21.434.2000113.6
1274D42.1Very low46.1Very low93 Ų9396.3 Ų96.350%0.49751%0.509SS..THydrogen-bonded Turntrans-105.528.1-170.5-58.1-73.7000113.8I1272 K1276I1272-D1274 PolarHBondContact O-N 2.96Å; D1274-K1276 PolarHBondContact O-N 3.34Å
1275C40.9Very low46.4Very low23 Ų2398.9 Ų98.916%0.15552%0.523CS..  trans-73.886-179.1-166.50000110.8I1272I1272-C1275 HydrophobicContact CB-CB 4.21Å; I1272-C1275 HydrophobicContact CG2-CB 3.79Å
1276K44.2Very low46.9Very low153 Ų153101.7 Ų101.767%0.66553%0.529SS*.  trans-49.2141.4-178.6-62.6-175.4178.5-174.40111.9D1274 T1278 Q1279D1274-K1276 PolarHBondContact O-N 3.34Å; K1276-T1278 PolarHBondContact O-N 2.99Å; K1276-Q1279 PolarHBondContact O-N 3.34Å
1277D47Very low47Very low139 Ų139101.3 Ų101.374%0.74353%0.525SS*.Hα-helixtrans-47.9-33.2-172.5-50.2-67.8000114Q1279 L1280 A1281D1277-Q1279 PolarHBondContact O-N 2.73Å; D1277-L1280 PolarHBondContact O-N 2.76Å; D1277-A1281 VanDerWaalsContact O-CB 3.25Å; D1277-A1281 WeakPolarHBondContact O-CB 3.01Å; D1277-A1281 PolarHBondContact O-N 3.12Å
1278T44.9Very low47.4Very low99 Ų9996.7 Ų96.761%0.60751%0.509SS*.Hα-helixtrans-60.6-40.5177-33.10000113.2K1276 I1282K1276-T1278 PolarHBondContact O-N 2.99Å; T1278-I1282 HydrophobicContact CG2-CD1 4.37Å; T1278-I1282 WeakPolarHBondContact O-CB 3.18Å; T1278-I1282 WeakPolarHBondContact O-CD1 3.38Å; T1278-I1282 WeakPolarHBondContact O-CG1 3.29Å; T1278-I1282 PolarHBondContact O-N 3.34Å
1279Q46.8Very low47.9Very low110 Ų11097.7 Ų97.751%0.51452%0.515SS..Hα-helixtrans-73-40.2178.3-71.3-175.5-19.900111K1276 D1277 I1282 L1283K1276-Q1279 PolarHBondContact O-N 3.34Å; D1277-Q1279 PolarHBondContact O-N 2.73Å; Q1279-I1282 PolarHBondContact O-N 3.47Å; Q1279-L1283 PolarHBondContact O-N 3.39Å
1280L54.8Low48Very low90 Ų9092.9 Ų92.947%0.47149%0.489SS..Hα-helixtrans-59.7-46.4172.4-109.6159.8000111.6D1277 I1282 L1283 Q1284D1277-L1280 PolarHBondContact O-N 2.76Å; L1280-I1282 PolarHBondContact O-N 2.95Å; L1280-L1283 WeakPolarHBondContact O-CB 3.18Å; L1280-L1283 PolarHBondContact O-N 2.91Å; L1280-Q1284 VanDerWaalsContact O-CB 3.29Å; L1280-Q1284 WeakPolarHBondContact O-CB 3.5Å; L1280-Q1284 PolarHBondContact O-N 3.11Å
1281A51.7Low48.2Very low40 Ų4088.5 Ų88.533%0.33147%0.469SS..Hα-helixtrans-66.5-34.617700000113.1D1277 Q1284 N1285D1277-A1281 VanDerWaalsContact O-CB 3.25Å; D1277-A1281 WeakPolarHBondContact O-CB 3.01Å; D1277-A1281 PolarHBondContact O-N 3.12Å; A1281-Q1284 PolarHBondContact O-N 2.93Å; A1281-N1285 WeakPolarHBondContact O-CB 3.34Å; A1281-N1285 PolarHBondContact O-N 2.94Å; A1281-N1285 PolarHBondContact O-ND2 3.31Å
1282I55.4Low48.4Very low92 Ų9291.3 Ų91.347%0.47247%0.474SS..Hα-helixtrans-65.2-46.1171.9-72.9163.9000110.2T1278 Q1279 L1280 Q1284 N1285 F1286T1278-I1282 HydrophobicContact CG2-CD1 4.37Å; T1278-I1282 WeakPolarHBondContact O-CB 3.18Å; T1278-I1282 WeakPolarHBondContact O-CD1 3.38Å; T1278-I1282 WeakPolarHBondContact O-CG1 3.29Å; T1278-I1282 PolarHBondContact O-N 3.34Å; Q1279-I1282 PolarHBondContact O-N 3.47Å; L1280-I1282 PolarHBondContact O-N 2.95Å; I1282-Q1284 VanDerWaalsContact C-N 3.34Å; I1282-Q1284 PolarHBondContact O-N 2.95Å; I1282-N1285 PolarHBondContact O-N 3.49Å; I1282-F1286 WeakPolarHBondContact O-CB 3.29Å; I1282-F1286 PolarHBondContact O-N 3.07Å
1283L53.1Low48.5Very low68 Ų6892.9 Ų92.936%0.35648%0.481SS..Hα-helixtrans-60.3-43.2175.3-12681.3000111.7Q1279 L1280 F1286 Y1287Q1279-L1283 PolarHBondContact O-N 3.39Å; L1280-L1283 WeakPolarHBondContact O-CB 3.18Å; L1280-L1283 PolarHBondContact O-N 2.91Å; L1283-F1286 PolarHBondContact O-N 2.88Å; L1283-Y1287 WeakPolarHBondContact O-CB 3.2Å; L1283-Y1287 PolarHBondContact O-N 3.3Å
1284Q54.2Low48.5Very low133 Ų13390.2 Ų90.262%0.62146%0.461SS*.Hα-helixtrans-70-36.2-177.8-165.3174.529.400112.5L1280 A1281 I1282 S1288L1280-Q1284 VanDerWaalsContact O-CB 3.29Å; L1280-Q1284 WeakPolarHBondContact O-CB 3.5Å; L1280-Q1284 PolarHBondContact O-N 3.11Å; A1281-Q1284 PolarHBondContact O-N 2.93Å; I1282-Q1284 VanDerWaalsContact C-N 3.34Å; I1282-Q1284 PolarHBondContact O-N 2.95Å; Q1284-S1288 WeakPolarHBondContact O-CB 3.47Å; Q1284-S1288 PolarHBondContact O-N 3.46Å; Q1284-S1288 PolarHBondContact O-OG 2.83Å
1285N54.5Low48.4Very low98 Ų9890.1 Ų90.152%0.52446%0.46SS..Hα-helixtrans-66.8-43.6170.9-82.3-53000111.7A1281 I1282 Y1287 S1288 Q1289A1281-N1285 WeakPolarHBondContact O-CB 3.34Å; A1281-N1285 PolarHBondContact O-N 2.94Å; A1281-N1285 PolarHBondContact O-ND2 3.31Å; I1282-N1285 PolarHBondContact O-N 3.49Å; N1285-Y1287 PolarHBondContact O-N 3.38Å; N1285-S1288 PolarHBondContact O-N 3.38Å; N1285-Q1289 WeakPolarHBondContact O-CG 3.44Å; N1285-Q1289 PolarHBondContact O-N 2.88Å
1286F54.9Low48.3Very low108 Ų10891.9 Ų91.947%0.47447%0.473SS..Hα-helixtrans-61.2-43.7175.4-175.9-106.8000111.7F1257 I1282 L1283 S1288 Q1289 M1290F1257-F1286 HydrophobicContact CE2-CE1 4.39Å; I1282-F1286 WeakPolarHBondContact O-CB 3.29Å; I1282-F1286 PolarHBondContact O-N 3.07Å; L1283-F1286 PolarHBondContact O-N 2.88Å; F1286-S1288 VanDerWaalsContact C-N 3.34Å; F1286-S1288 PolarHBondContact O-N 2.8Å; F1286-Q1289 PolarHBondContact O-N 3.28Å; F1286-M1290 HydrophobicContact CD1-CE 4.33Å; F1286-M1290 HydrophobicContact CE1-CE 3.46Å; F1286-M1290 VanDerWaalsContact CE1-CE 3.46Å; F1286-M1290 HydrophobicContact CE2-CE 3.97Å; F1286-M1290 HydrophobicContact CZ-CE 3.25Å; F1286-M1290 PolarHBondContact O-N 3.39Å
1287Y48.3Very low48.1Very low122 Ų12286.5 Ų86.548%0.47845%0.453SS..Hα-helixtrans-59.6-43.8173.5-155.3-71.2000111.7M1261 L1283 N1285 M1290 S1291M1261-Y1287 HydrophobicContact CE-CD2 3.48Å; M1261-Y1287 VanDerWaalsContact CE-CD2 3.48Å; M1261-Y1287 HydrophobicContact CE-CE2 3.78Å; L1283-Y1287 WeakPolarHBondContact O-CB 3.2Å; L1283-Y1287 PolarHBondContact O-N 3.3Å; N1285-Y1287 PolarHBondContact O-N 3.38Å; Y1287-M1290 PolarHBondContact O-N 3.24Å; Y1287-S1291 VanDerWaalsContact O-CB 3.24Å; Y1287-S1291 WeakPolarHBondContact O-CB 3.48Å; Y1287-S1291 PolarHBondContact O-N 3.09Å
1288S52.9Low47.8Very low53 Ų5386.4 Ų86.437%0.37145%0.452SS..Hα-helixtrans-64.8-43.4179.1-600000112Q1284 N1285 F1286 S1291 Q1292Q1284-S1288 WeakPolarHBondContact O-CB 3.47Å; Q1284-S1288 PolarHBondContact O-N 3.46Å; Q1284-S1288 PolarHBondContact O-OG 2.83Å; N1285-S1288 PolarHBondContact O-N 3.38Å; F1286-S1288 VanDerWaalsContact C-N 3.34Å; F1286-S1288 PolarHBondContact O-N 2.8Å; S1288-S1291 PolarHBondContact O-N 2.96Å; S1288-Q1292 VanDerWaalsContact O-CG 3.31Å; S1288-Q1292 WeakPolarHBondContact O-CG 3.48Å; S1288-Q1292 PolarHBondContact O-N 3.33Å
1289Q49.6Very low47.4Very low98 Ų9888.3 Ų88.346%0.45846%0.458SS..Hα-helixtrans-65.8-43.4177-70.9178.818.100112.1N1285 F1286 Q1292 M1293N1285-Q1289 WeakPolarHBondContact O-CG 3.44Å; N1285-Q1289 PolarHBondContact O-N 2.88Å; F1286-Q1289 PolarHBondContact O-N 3.28Å; Q1289-Q1292 PolarHBondContact O-N 2.85Å; Q1289-M1293 PolarHBondContact O-N 2.91Å
1290M45.4Very low46.6Very low41 Ų4186.6 Ų86.620%0.20247%0.47CS..Hα-helixtrans-72.1-31.3178.8-138.9-176.9-60.700112.7F1257 F1286 Y1287 M1293 N1294F1257-M1290 HydrophobicContact CD1-SD 3.74Å; F1257-M1290 HydrophobicContact CD2-CE 4.02Å; F1257-M1290 HydrophobicContact CD2-SD 3.6Å; F1257-M1290 VanDerWaalsContact CD2-SD 3.6Å; F1257-M1290 HydrophobicContact CE1-CB 4.22Å; F1257-M1290 HydrophobicContact CE1-CE 4.33Å; F1257-M1290 HydrophobicContact CE1-CG 4.29Å; F1257-M1290 HydrophobicContact CE1-SD 3.54Å; F1257-M1290 VanDerWaalsContact CE1-SD 3.54Å; F1257-M1290 HydrophobicContact CE2-CE 3.37Å; F1257-M1290 HydrophobicContact CE2-SD 3.41Å; F1257-M1290 WeakPolarHBondContact CE2-SD 3.43Å; F1257-M1290 HydrophobicContact CG-SD 3.76Å; F1257-M1290 HydrophobicContact CZ-CB 4.22Å; F1257-M1290 HydrophobicContact CZ-CE 3.54Å; F1257-M1290 HydrophobicContact CZ-CG 4.36Å; F1257-M1290 HydrophobicContact CZ-SD 3.37Å; F1257-M1290 WeakPolarHBondContact CZ-SD 3.29Å; F1286-M1290 HydrophobicContact CD1-CE 4.33Å; F1286-M1290 HydrophobicContact CE1-CE 3.46Å; F1286-M1290 VanDerWaalsContact CE1-CE 3.46Å; F1286-M1290 HydrophobicContact CE2-CE 3.97Å; F1286-M1290 HydrophobicContact CZ-CE 3.25Å; F1286-M1290 PolarHBondContact O-N 3.39Å; Y1287-M1290 PolarHBondContact O-N 3.24Å; M1290-M1293 HydrophobicContact CB-CE 4.35Å; M1290-M1293 HydrophobicContact CG-CE 3.75Å; M1290-M1293 PolarHBondContact O-N 3.35Å; M1290-N1294 PolarHBondContact O-N 2.83Å
1291S47.1Very low45.5Very low49 Ų4984.5 Ų84.534%0.34347%0.47SS..Hα-helixtrans-62.2-41168.5-175.70000111.9Y1287 S1288 N1294 N1295Y1287-S1291 VanDerWaalsContact O-CB 3.24Å; Y1287-S1291 WeakPolarHBondContact O-CB 3.48Å; Y1287-S1291 PolarHBondContact O-N 3.09Å; S1288-S1291 PolarHBondContact O-N 2.96Å; S1291-N1294 PolarHBondContact O-N 2.84Å; S1291-N1295 WeakPolarHBondContact O-CB 3.29Å; S1291-N1295 PolarHBondContact O-N 3.35Å; S1291-N1295 PolarHBondContact O-ND2 3.26Å; S1291-N1295 PolarHBondContact OG-ND2 2.93Å
1292Q46.5Very low44.4Very low134 Ų13488.4 Ų88.463%0.62650%0.495SS*.Hα-helixtrans-65.4-36.6174.4-72.8171.320.500112.5S1288 Q1289 S1296S1288-Q1292 VanDerWaalsContact O-CG 3.31Å; S1288-Q1292 WeakPolarHBondContact O-CG 3.48Å; S1288-Q1292 PolarHBondContact O-N 3.33Å; Q1289-Q1292 PolarHBondContact O-N 2.85Å; Q1292-S1296 WeakPolarHBondContact O-CB 3.25Å; Q1292-S1296 PolarHBondContact O-N 2.9Å; Q1292-S1296 PolarHBondContact O-OG 3.07Å
1293M41.6Very low43.3Very low95 Ų9590.8 Ų90.847%0.46850%0.502SS..Hα-helixtrans-64.6-48.5173.4-71.5-169.1-69.200111.9Q1289 M1290 N1295 S1296 V1297Q1289-M1293 PolarHBondContact O-N 2.91Å; M1290-M1293 HydrophobicContact CB-CE 4.35Å; M1290-M1293 HydrophobicContact CG-CE 3.75Å; M1290-M1293 PolarHBondContact O-N 3.35Å; M1293-N1295 VanDerWaalsContact C-N 3.34Å; M1293-N1295 PolarHBondContact O-N 3.03Å; M1293-S1296 WeakPolarHBondContact CA-OG 3.45Å; M1293-S1296 PolarHBondContact O-N 3.09Å; M1293-S1296 PolarHBondContact O-OG 2.93Å; M1293-S1296 VanDerWaalsContact O-OG 3.05Å; M1293-V1297 WeakPolarHBondContact O-CB 3.4Å; M1293-V1297 VanDerWaalsContact O-CG2 3.28Å; M1293-V1297 WeakPolarHBondContact O-CG2 3.28Å; M1293-V1297 PolarHBondContact O-N 3Å
1294N43.1Very low42.3Very low57 Ų5792.1 Ų92.131%0.30552%0.515SS..Hα-helixtrans-59.4-42.5176.7-78.5-18.5000112.5M1290 S1291 L1298M1290-N1294 PolarHBondContact O-N 2.83Å; S1291-N1294 PolarHBondContact O-N 2.84Å; N1294-L1298 WeakPolarHBondContact O-CB 3.4Å; N1294-L1298 WeakPolarHBondContact O-CD1 3.37Å; N1294-L1298 VanDerWaalsContact O-CG 3.29Å; N1294-L1298 WeakPolarHBondContact O-CG 3.38Å; N1294-L1298 PolarHBondContact O-N 3.4Å; N1294-L1298 VanDerWaalsContact O-N 3.09Å
1295N39Very low41Very low90 Ų9095.9 Ų95.948%0.48153%0.529SS..Hα-helixtrans-74.1-23.3-179.3-75.5-66.4000114.7S1291 M1293 N1299S1291-N1295 WeakPolarHBondContact O-CB 3.29Å; S1291-N1295 PolarHBondContact O-N 3.35Å; S1291-N1295 PolarHBondContact O-ND2 3.26Å; S1291-N1295 PolarHBondContact OG-ND2 2.93Å; M1293-N1295 VanDerWaalsContact C-N 3.34Å; M1293-N1295 PolarHBondContact O-N 3.03Å; N1295-N1299 PolarHBondContact O-ND2 3.36Å
1296S40Very low39.8Very low61 Ų6195.7 Ų95.743%0.42754%0.536SS..Hα-helixtrans-83.2-37.2174.3480000112.1Q1292 M1293 N1299Q1292-S1296 WeakPolarHBondContact O-CB 3.25Å; Q1292-S1296 PolarHBondContact O-N 2.9Å; Q1292-S1296 PolarHBondContact O-OG 3.07Å; M1293-S1296 WeakPolarHBondContact CA-OG 3.45Å; M1293-S1296 PolarHBondContact O-N 3.09Å; M1293-S1296 PolarHBondContact O-OG 2.93Å; M1293-S1296 VanDerWaalsContact O-OG 3.05Å; S1296-N1299 PolarHBondContact O-N 3.32Å
1297V40.1Very low38.7Very low40 Ų4095.6 Ų95.624%0.24254%0.544CS..Hα-helixtrans-66.6-39.4175173.10000112I1250 M1293 N1299 F1303I1250-V1297 HydrophobicContact CD1-CG1 3.98Å; I1250-V1297 HydrophobicContact CG2-CG1 4.03Å; M1293-V1297 WeakPolarHBondContact O-CB 3.4Å; M1293-V1297 VanDerWaalsContact O-CG2 3.28Å; M1293-V1297 WeakPolarHBondContact O-CG2 3.28Å; M1293-V1297 PolarHBondContact O-N 3Å; V1297-N1299 VanDerWaalsContact C-N 3.29Å; V1297-N1299 PolarHBondContact O-N 3.15Å; V1297-F1303 HydrophobicContact CG2-CD2 4.47Å; V1297-F1303 HydrophobicContact CG2-CE2 3.46Å; V1297-F1303 VanDerWaalsContact CG2-CE2 3.46Å; V1297-F1303 HydrophobicContact CG2-CZ 3.53Å
1298L39.1Very low37.8Very low137 Ų13796.1 Ų96.172%0.71756%0.555SS**THydrogen-bonded Turntrans-70.9-18.8178.1-73.3169.1000114.3N1294N1294-L1298 WeakPolarHBondContact O-CB 3.4Å; N1294-L1298 WeakPolarHBondContact O-CD1 3.37Å; N1294-L1298 VanDerWaalsContact O-CG 3.29Å; N1294-L1298 WeakPolarHBondContact O-CG 3.38Å; N1294-L1298 PolarHBondContact O-N 3.4Å; N1294-L1298 VanDerWaalsContact O-N 3.09Å
1299N37.4Very low36.6Very low138 Ų138101.5 Ų101.574%0.73857%0.572SS**THydrogen-bonded Turntrans-99.318.6-178.8-83.3-47.2000114.1N1295 S1296 V1297 G1301N1295-N1299 PolarHBondContact O-ND2 3.36Å; S1296-N1299 PolarHBondContact O-N 3.32Å; V1297-N1299 VanDerWaalsContact C-N 3.29Å; V1297-N1299 PolarHBondContact O-N 3.15Å; N1299-G1301 PolarHBondContact O-N 3.27Å; N1299-G1301 VanDerWaalsContact O-N 3.16Å
1300G30.7Very low35.6Very low74 Ų7499.7 Ų99.776%0.76357%0.571SS**THydrogen-bonded Turntrans6716.7172.300000115.3
1301G30.7Very low34.6Very low46 Ų46107.5 Ų107.547%0.47460%0.604SS.*PPolyproline II helixtrans-77.3131.1178.300000112.3N1299 F1303N1299-G1301 PolarHBondContact O-N 3.27Å; N1299-G1301 VanDerWaalsContact O-N 3.16Å; G1301-F1303 PolarHBondContact O-N 3.14Å
1302S29.6Very low33.6Very low123 Ų123111.8 Ų111.886%0.8662%0.622SS**PPolyproline II helixtrans-59.5123.6174.7-62.90000112
1303F31.3Very low32.6Very low141 Ų141113 Ų11362%0.61863%0.633SS**PPolyproline II helixtrans-54.8130.7173.5-101.5-77.5000111.9V1297 G1301 K1305V1297-F1303 HydrophobicContact CG2-CD2 4.47Å; V1297-F1303 HydrophobicContact CG2-CE2 3.46Å; V1297-F1303 VanDerWaalsContact CG2-CE2 3.46Å; V1297-F1303 HydrophobicContact CG2-CZ 3.53Å; G1301-F1303 PolarHBondContact O-N 3.14Å; F1303-K1305 PolarHBondContact O-N 2.76Å
1304P31.3Very low32Very low96 Ų96114.6 Ų114.662%0.62365%0.654SS**PPolyproline II helixtrans-69.2123.9170.828.2-33.1000110.5S1306P1304-S1306 VanDerWaalsContact C-N 3.28Å; P1304-S1306 PolarHBondContact O-N 2.88Å
1305K29Very low31.2Very low213 Ų213118 Ų11893%0.92668%0.677SS**SBendtrans-80.660.1-179-73.1-173.8173.4-179.40113.6F1303F1303-K1305 PolarHBondContact O-N 2.76Å
1306S27.6Very low30.6Very low94 Ų94119.9 Ų119.966%0.65769%0.691SS**  trans178.3121.7159.352.20000111.1P1304P1304-S1306 VanDerWaalsContact C-N 3.28Å; P1304-S1306 PolarHBondContact O-N 2.88Å
1307T32.1Very low30Very low106 Ų106122.5 Ų122.565%0.6571%0.709SS**  trans-156.983.2162.4-4.20000109.8F1309T1307-F1309 HydrophobicContact CG2-CE2 4.17Å
1308D28.9Very low29.3Very low133 Ų133126.6 Ų126.671%0.71174%0.74SS**  trans-70.1147163.3-60.9-71.9000109.3
1309F27.7Very low28.8Very low166 Ų166125.3 Ų125.373%0.72874%0.742SS**  trans-129.9106.8-175.7-88.8-91.9000110.6T1307T1307-F1309 HydrophobicContact CG2-CE2 4.17Å
1310S28.4Very low28.3Very low60 Ų60123.9 Ų123.942%0.4274%0.743SS.*  trans-115122167.469.80000114.4W1524S1310-W1524 WeakPolarHBondContact CB-OXT 3.29Å; S1310-W1524 PolarHBondContact N-OXT 2.75Å; S1310-W1524 VanDerWaalsContact N-OXT 3.15Å; S1310-W1524 PolarHBondContact OG-OXT 3.34Å
1311F25.8Very low28.1Very low204 Ų204129.6 Ų129.690%0.89575%0.752SS**  trans37134.9153.4-72.5-84.3000124.4
1312L25.5Very low28.1Very low139 Ų139132.2 Ų132.273%0.72877%0.769SS**  trans-51.6131162.2-61.1152.4000113.3
1313N26.5Very low27.9Very low159 Ų159132.5 Ų132.585%0.8576%0.761SS**  176.2105.9128.3-94.7-26.1000113.2
1314S29.2Very low28Very low130 Ų130132.2 Ų132.291%0.90977%0.766SS**  trans-169.8156.4145.7-85.80000110.1
1315T26.1Very low27.8Very low129 Ų129134.1 Ų134.179%0.79177%0.771SS**  trans-128.6146.3-159.6-25.70000112.3
1316V26.6Very low28Very low129 Ų129131.8 Ų131.878%0.78277%0.769SS**  trans62.8114.2165.2-163.10000117.1
1317S27.5Very low28Very low115 Ų115134.2 Ų134.280%0.80477%0.774SS**  -179.5122.4114.8-77.90000111.5
1318S23.7Very low27.8Very low127 Ų127136.5 Ų136.589%0.88878%0.782SS**  trans-97.5131.5178.2-46.90000110.8
1319S28.4Very low27.7Very low109 Ų109136.5 Ų136.576%0.76279%0.792SS**  trans-157.3140.9163.648.20000114.1
1320S28.1Very low27.7Very low109 Ų109133.4 Ų133.476%0.76279%0.79SS**  trans45.3108.8159.354.20000120.1
1321M25.9Very low27.7Very low193 Ų193136.5 Ų136.595%0.95181%0.809SS**  trans-60.7141.7149.5-64.5152.255.600110.7
1322A30.2Very low27.8Very low101 Ų101132.3 Ų132.384%0.83580%0.8SS**  trans-143.2105.7163.700000110.6
1323N27.3Very low28Very low129 Ų129131.8 Ų131.869%0.6981%0.805SS**  trans-69.7134.1179167.747.8000112.5
1324N31.4Very low28.2Very low136 Ų136128.9 Ų128.973%0.72780%0.797SS**  -179.5155.2125-96.7-43.4000115.1
1325N28.7Very low28.1Very low135 Ų135129.1 Ų129.172%0.72279%0.793SS**  trans-71.4148.1179.5-52.8-61.8000113.6
1326N32Very low28.2Very low164 Ų164128 Ų12888%0.87779%0.79SS**  -169.2157.8117.2-100.3-31.4000113.2
1327N28.5Very low28.2Very low146 Ų146129.1 Ų129.178%0.78179%0.792SS**  trans-92.2166-174.1-67.9-41.3000113.6
1328N28.3Very low28.2Very low153 Ų153130.5 Ų130.582%0.81879%0.789SS**  trans68.5103.2162.6-56.8-15.8000118.2
1329C26.7Very low28.4Very low134 Ų134129.3 Ų129.391%0.90579%0.786SS**  -174.4161.8110.7-104.10000113.5
1330S26.8Very low28.5Very low100 Ų100127.8 Ų127.870%0.69979%0.788SS**  trans-66148.2-166.1-46.90000116.4
1331P28.2Very low28.4Very low125 Ų125132.1 Ų132.181%0.81279%0.794SS**  trans-78.1121.716431.7-31.6000111.2
1332V29.2Very low28.6Very low116 Ų116130.4 Ų130.470%0.70379%0.788SS**  trans-110.7111.7170.9177.20000109.4S1334V1332-S1334 PolarHBondContact O-N 3.46Å
1333P28.4Very low28.4Very low128 Ų128135.2 Ų135.283%0.83179%0.791SS**  trans-8982.717733.6-32.3000111.2
1334S31Very low28.6Very low99 Ų99134.4 Ų134.469%0.69279%0.792SS**  trans-107.6103.417758.80000113V1332V1332-S1334 PolarHBondContact O-N 3.46Å
1335V26.4Very low28.4Very low135 Ų135136 Ų13682%0.81880%0.8SS**  trans-18.1148.5165.6-153.30000118.1
1336S29.4Very low28.2Very low105 Ų105138 Ų13873%0.73481%0.809SS**  trans109.693.9142.273.50000121.1
1337N25.8Very low28Very low152 Ų152133.9 Ų133.981%0.81380%0.798SS**  75.9159.4114.1-146.910.9000120.6
1338I28.4Very low28.3Very low145 Ų145135.7 Ų135.774%0.74480%0.802SS**  trans68.392.8175.7-51.9171.6000112.9
1339A27.3Very low28.2Very low101 Ų101133.6 Ų133.684%0.83580%0.797SS**  72.1111.868.900000114.4
1340G30.6Very low28.1Very low78 Ų78136.3 Ų136.380%0.80479%0.793SS**  trans-177.1110.3175.200000110.6
1341F26.5Very low28.2Very low199 Ų199139 Ų13987%0.87380%0.8SS**  trans-73.5139.7174.6-80.4-113.7000110.2
1342N30.4Very low28.1Very low157 Ų157136.8 Ų136.884%0.8479%0.788SS**  -179130.9118.4-87.8-22.1000112.3
1343F25.7Very low28Very low202 Ų202138.7 Ų138.789%0.88679%0.793SS**  trans-90.9-170.8158.7-71.9-93.1000108.8
1344P30.6Very low27.9Very low112 Ų112137.8 Ų137.873%0.72779%0.789SS**  -124.2143.3-82.936-20.4000111.9
1345L26.8Very low27.7Very low170 Ų170138.2 Ų138.289%0.8979%0.792SS**  trans-130.9112.1171.4-83.1171.7000111.9A1347L1345-A1347 PolarHBondContact O-N 3.47Å
1346I25.8Very low27.8Very low176 Ų176136.8 Ų136.890%0.90379%0.788SS**  trans-75.5114.8160.2-65.3171.6000106.7
1347A26.7Very low27.7Very low79 Ų79136.6 Ų136.665%0.65379%0.786SS**  trans-148.894.1171.800000110.5L1345L1345-A1347 PolarHBondContact O-N 3.47Å
1348Q35.1Very low27.8Very low183 Ų183134.7 Ų134.786%0.85579%0.785SS**  trans-66.9140.9137.4-71.7-170.4-14.300106.7
1349P26.7Very low27.9Very low110 Ų110132.3 Ų132.371%0.71478%0.781SS**  -142.1157.6112.937.1-25.2000114.8
1350F24.1Very low28Very low190 Ų190132.2 Ų132.283%0.83377%0.774SS**  trans-25.5128.1154.5-67-101000115.7
1351N28.7Very low27.9Very low157 Ų157132.9 Ų132.984%0.8477%0.767SS**  trans-152.6142.2136.3-99.7-40000109
1352S26.6Very low27.9Very low79 Ų79128.2 Ų128.255%0.55277%0.765SS**  cis-176.5165.3-38.240.20000107.1
1353L26.9Very low27.7Very low156 Ų156126.5 Ų126.582%0.81776%0.76SS**  trans71.1140.9166.9-62.5142.2000118
1354S26Very low27.7Very low108 Ų108118 Ų11876%0.75573%0.725SS**  trans30.8127.7153.756.10000119.1
1355S28.2Very low27.4Very low108 Ų108117.3 Ų117.376%0.75572%0.719SS**  cis174.8165.113.940.10000105.4
1356S28.5Very low27.2Very low105 Ų105112.8 Ų112.873%0.73470%0.698SS**  cis-173.3157.61.433.70000104
1357C25.9Very low27.1Very low102 Ų102108.8 Ų108.869%0.68968%0.682SS**  cis-165.9163.77.537.70000107.6
1358S28.9Very low27Very low112 Ų112110.1 Ų110.178%0.78369%0.686SS**  trans68.6142.8160.6-53.90000117.4
1359S31Very low26.7Very low94 Ų94107.6 Ų107.666%0.65768%0.682SS**  cis-171.1138.9-13.544.50000110.9
1360S28.1Very low26.6Very low99 Ų99110.4 Ų110.469%0.69268%0.678SS**  trans56.3154.9145.758.70000122
1361S29Very low27.1Very low93 Ų93107.1 Ų107.165%0.6568%0.676SS**  trans57.6122.1157.349.40000117.5
1362A26.6Very low27.2Very low101 Ų101103.3 Ų103.384%0.83566%0.659SS**  cis57.376.622.500000114.3
1363T26.5Very low27.8Very low120 Ų120105.7 Ų105.774%0.73667%0.67SS**  trans-158141.3149.7330000111.4
1364T24.5Very low28.1Very low24 Ų24104 Ų10415%0.14766%0.661CS.*  trans-38.7133.91597.70000117.1K17 E18 E19K17-T1364 PolarHBondContact NZ-O 3.5Å; E18-T1364 HydrophobicContact CG-CG2 3.67Å; E18-T1364 WeakPolarHBondContact CG-OG1 3.49Å; E18-T1364 VanDerWaalsContact OE1-CB 3.29Å; E18-T1364 WeakPolarHBondContact OE1-CB 3.48Å; E18-T1364 PolarHBondContact OE1-OG1 3.29Å; E19-T1364 HydrophobicContact CB-CG2 3.73Å; E19-T1364 VanDerWaalsContact CD-OG1 3.27Å; E19-T1364 HydrophobicContact CG-CG2 3.81Å; E19-T1364 WeakPolarHBondContact OE1-CG2 3.45Å; E19-T1364 PolarHBondContact OE1-N 3.5Å; E19-T1364 PolarHBondContact OE2-OG1 3.15Å; E19-T1364 VanDerWaalsContact OE2-OG1 3.13Å
1365T24.2Very low28.3Very low98 Ų98103.6 Ų103.660%0.60166%0.656SS**  trans52.3-160.9135.559.80000118.8K17K17-T1365 WeakPolarHBondContact CE-OG1 3.29Å; K17-T1365 WeakPolarHBondContact CG-OG1 3.48Å; K17-T1365 PolarHBondContact NZ-OG1 3.21Å; K17-T1365 VanDerWaalsContact NZ-OG1 3.07Å
1366T23.9Very low28.4Very low74 Ų74102.9 Ų102.945%0.45465%0.65SS.*  trans59.799.5-168.426.60000117.7K17K17-T1366 HydrophobicContact CD-CG2 4.14Å; K17-T1366 WeakPolarHBondContact CE-OG1 2.88Å; K17-T1366 PolarHBondContact NZ-OG1 3.33Å
1367T23.6Very low28.5Very low92 Ų92103 Ų10356%0.56465%0.651SS**  trans63.1178.1130.559.80000119.8
1368C24.5Very low28.9Very low108 Ų108103.6 Ų103.673%0.7365%0.654SS**  trans71.3101.8169.8-61.50000115.7
1369V28.3Very low28.9Very low129 Ų129102.2 Ų102.278%0.78265%0.65SS**  78.895.797.6167.90000111
1370R25.8Very low28.8Very low169 Ų169104.7 Ų104.764%0.63866%0.655SS**  61.5105.372.3-172-176166.8176.1-5.3112T1372R1370-T1372 PolarHBondContact NE-OG1 3.36Å; R1370-T1372 PolarHBondContact NH2-OG1 2.83Å
1371P33.5Very low28.9Very low121 Ų121106.2 Ų106.279%0.78665%0.653SS**  -91143.498.7-2436.5000110.8
1372T30.9Very low29.2Very low77 Ų77108.5 Ų108.547%0.47266%0.658SS.*  cis58.5111.746.4-46.80000109.5R1370R1370-T1372 PolarHBondContact NE-OG1 3.36Å; R1370-T1372 PolarHBondContact NH2-OG1 2.83Å
1373V39.8Very low29.3Very low129 Ų129110.7 Ų110.778%0.78265%0.649SS**  cis-127.1141.933.4-1290000108.4
1374L31.8Very low29.8Very low122 Ų122110.6 Ų110.664%0.63965%0.651SS**  cis55.6148.245.2-76.3176.6000114.4
1375P31.6Very low30Very low99 Ų99113.9 Ų113.964%0.64368%0.675SS**  cis-127.4172.7-14.542.6-28.1000114
1376S29.9Very low30.4Very low92 Ų92114.2 Ų114.264%0.64368%0.681SS**  trans8.5138145.368.30000121.3
1377S31.1Very low30.9Very low107 Ų107116.3 Ų116.375%0.74869%0.694SS**  19.7166.594.5-32.20000119.7
1378P34Very low31.5Very low115 Ų115118.1 Ų118.175%0.74770%0.7SS**  cis-129.3-175.1-2238.5-23000112.4
1379A27.8Very low32Very low84 Ų84117.9 Ų117.969%0.69470%0.695SS**  trans66157.7153.700000115.6
1380L29.8Very low32.2Very low146 Ų146118.2 Ų118.276%0.76469%0.692SS**  -159.714452.6-79.6162.1000111.2
1381I30.4Very low32.5Very low130 Ų130115.8 Ų115.867%0.66769%0.692SS**  trans33.9117.6130.8-53176.5000117.6
1382N33.9Very low32.4Very low141 Ų141115 Ų11575%0.75468%0.681SS**  -159.2129.7117.6-100.3-35000113.5
1383F30.7Very low32.5Very low147 Ų147117 Ų11765%0.64569%0.689SS**  trans-78.3157.3153.3-72-98.9000108.1P1040P1040-F1383 HydrophobicContact CB-CZ 4.36Å; P1040-F1383 HydrophobicContact CG-CE1 3.8Å; P1040-F1383 HydrophobicContact CG-CZ 4.06Å
1384P35.2Very low32.1Very low119 Ų119116 Ų11677%0.77368%0.679SS**  -123.2136.484.60.821.3000110.4
1385S28.7Very low32.2Very low92 Ų92115 Ų11564%0.64367%0.674SS**  56.6111.559.487.10000114.2
1386S34.1Very low32.2Very low105 Ų105117.4 Ų117.473%0.73467%0.674SS**  -170.7134.1129.445.20000110.9
1387T33.9Very low32.4Very low118 Ų118120.8 Ų120.872%0.72467%0.673SS**  trans47.7135.3139.858.70000120.3
1388N35.2Very low32.4Very low131 Ų131123.7 Ų123.770%0.70167%0.667SS**  cis-16415834.9-126.1-6.9000113.6
1389T35.4Very low32.4Very low102 Ų102127.7 Ų127.763%0.62667%0.668SS**  trans30.2149.1141.965.80000122.4
1390L32.6Very low32.6Very low137 Ų137127.5 Ų127.572%0.71767%0.666SS**  cis-156.5130.8-16.1-127.487.3000101.8
1391N32.3Very low32.5Very low118 Ų118126.9 Ų126.963%0.63166%0.664SS**  69.8151.880.5-165.329.8000114.6
1392N31Very low32.6Very low103 Ų103125.1 Ų125.155%0.55166%0.663SS**  trans68.2120.9153.7-88.35.6000119.2
1393N33.8Very low32.3Very low119 Ų119123 Ų12364%0.63666%0.659SS**  83.2141.2118.8-66.512.2000118
1394D31.6Very low32.2Very low108 Ų108121 Ų12158%0.57866%0.663SS**  cis-166-175.7-4.5-134.1-30.8000113.7
1395L32.6Very low32Very low103 Ų103121.9 Ų121.954%0.53966%0.662SS.*  trans40.3131.8139.1-85.925.5000119.9
1396K33.3Very low32Very low148 Ų148121 Ų12164%0.64366%0.655SS**  trans73.8141.8135.8-63.8163.9-173144.40114.6
1397R32.9Very low31.9Very low164 Ų164123.4 Ų123.462%0.61966%0.657SS**  cis-154.7160.74.7-119.8160.1-169.3-177.31.4109.6
1398R32.4Very low31.9Very low167 Ų167123.7 Ų123.763%0.6365%0.654SS**  26.2127.2114.5-55.7172.9-160.1165.5-4.4114
1399R32.4Very low31.8Very low199 Ų199121.2 Ų121.275%0.75164%0.64SS**  cis-134.3149.77.4-91.2122.3176.9172.1-7.6107.9
1400A31.7Very low31.7Very low80 Ų80122 Ų12266%0.66164%0.64SS**  62.6158.854.300000112.4
1401D29.6Very low31.7Very low133 Ų133119.7 Ų119.771%0.71163%0.628SS**  trans65.7114.6169.9-38.4-42.8000114.1
1402S32.4Very low31.6Very low94 Ų94121.2 Ų121.266%0.65764%0.636SS**  cis-151.8151.25.4-85.80000108
1403S26.7Very low31.5Very low97 Ų97120.8 Ų120.868%0.67864%0.639SS**  cis62150.2471020000112.3
1404S29.7Very low31.2Very low103 Ų103123.9 Ų123.972%0.7265%0.647SS**  trans62149.8-171.187.40000113.4
1405N29.7Very low31.3Very low139 Ų139123.9 Ų123.974%0.74365%0.653SS**  cis-139.4123.3-5.4-110.7-14.1000106.2
1406S29.3Very low31.2Very low72 Ų72124.6 Ų124.650%0.50366%0.655SS.*  82.8145.777.278.40000112.1
1407M31.7Very low30.9Very low157 Ų157124.1 Ų124.177%0.77365%0.649SS**  trans66.7151.2166.5-59.7-173.2-66.400113.9
1408D33.2Very low30.7Very low123 Ų123123.3 Ų123.366%0.65865%0.65SS**  cis-168.7177.6-21.2-109.3-22.4000106.7
1409I32.8Very low30.6Very low80 Ų80118.3 Ų118.341%0.4164%0.639SS.*  cis-147.3-179.74.9-138.7151.5000108.4K529K529-I1409 WeakPolarHBondContact CB-O 3.43Å; K529-I1409 HydrophobicContact CD-CG2 3.63Å; K529-I1409 WeakPolarHBondContact CD-O 3.38Å; K529-I1409 VanDerWaalsContact CG-O 3.23Å; K529-I1409 WeakPolarHBondContact CG-O 3.12Å; K529-I1409 VanDerWaalsContact NZ-CG2 3.26Å
1410N33.5Very low30.4Very low118 Ų118114.5 Ų114.563%0.63163%0.634SS**  trans-64.6137.7-178.6-39.7-76.6000117.3K529K529-N1410 VanDerWaalsContact CB-C 3.46Å; K529-N1410 VanDerWaalsContact CD-C 3.47Å; K529-N1410 WeakPolarHBondContact CD-O 3.27Å; K529-N1410 PolarHBondContact NZ-O 2.9Å
1411N33.8Very low30.4Very low88 Ų88115.1 Ų115.147%0.47163%0.634SS.*  trans168.891.4146.1-78.7-15.8000111.9I528 K529I528-N1411 CarbonylContact C-O 3.21Å; K529-N1411 HydrophobicContact CB-CB 3.92Å; K529-N1411 HydrophobicContact CD-CB 4.03Å; K529-N1411 PolarHBondContact N-O 3.46Å
1412L30.1Very low30.4Very low150 Ų150117.6 Ų117.679%0.78564%0.638SS**  trans-55.1147.3144.2-74.9160000108.1
1413P28.7Very low30.5Very low95 Ų95119.2 Ų119.262%0.61765%0.647SS**  -155.5169.78543.8-25.2000118
1414F26.7Very low30.7Very low184 Ų184124.5 Ų124.581%0.80765%0.651SS**  trans-58.1-177147.7-65-100.8000111.5
1415P34.6Very low30.9Very low108 Ų108125.1 Ų125.170%0.70165%0.653SS**  cis-119.8-156.3-44.628.4-8.4000109.2
1416M29.7Very low31Very low118 Ų118126.3 Ų126.358%0.58166%0.659SS**  147.2126.5129.3-73.3-106.5-8500117.2
1417R28.5Very low31.1Very low138 Ų138128.6 Ų128.652%0.52167%0.67SS.*  trans56.1110.3137.4-60.4-179.9-176.3-179.96122.3K522 S523K522-R1417 WeakPolarHBondContact O-CB 3.45Å; S523-R1417 PolarHBondContact N-O 3.41Å; S523-R1417 VanDerWaalsContact N-O 3.1Å
1418F28.2Very low31.2Very low147 Ų147127.6 Ų127.665%0.64567%0.666SS**  16.6131.7124.1-75.5-70.2000119.2K522 S523 N1420K522-F1418 CarbonylContact C-O 3.23Å; K522-F1418 VanDerWaalsContact C-O 3.23Å; K522-F1418 PolarHBondContact N-O 2.94Å; S523-F1418 PolarHBondContact N-O 3.1Å; S523-F1418 VanDerWaalsContact N-O 3.15Å; F1418-N1420 HydrophobicContact CD1-CB 4.44Å
1419P29.5Very low31.1Very low61 Ų61130 Ų13040%0.39667%0.673SS.*  -135.2153.965.538.7-25.1000114.7R521R521-P1419 HydrophobicContact CG-CB 4.27Å
1420N28.2Very low31.2Very low119 Ų119132.8 Ų132.864%0.63669%0.689SS**  5854.156.9-83.8-2.1000114.9R521 F1418R521-N1420 PolarHBondContact NH2-O 3.22Å; R521-N1420 VanDerWaalsContact NH2-O 3.13Å; F1418-N1420 HydrophobicContact CD1-CB 4.44Å
1421S31.1Very low31.1Very low94 Ų94137.3 Ų137.366%0.65770%0.699SS**  trans-138.7121166.8-600000110.6
1422F30.9Very low31Very low185 Ų185138.4 Ų138.481%0.81171%0.709SS**  trans-78.8146.5169.5-77.2-114.3000110.1R1424F1422-R1424 HydrophobicContact CB-CG 4.37Å; F1422-R1424 PolarHBondContact O-N 3.03Å
1423P33.9Very low31.2Very low128 Ų128137 Ų13783%0.83171%0.708SS**  trans-71.497142.731.5-28.2000107.9
1424R30.9Very low31.2Very low207 Ų207140.4 Ų140.478%0.78172%0.715SS**  trans-72.2148.7161.5-79.3-172.4170.4-151.1-1.4108.6F1422F1422-R1424 HydrophobicContact CB-CG 4.37Å; F1422-R1424 PolarHBondContact O-N 3.03Å
1425P34.2Very low31.9Very low117 Ų117136.7 Ų136.776%0.7671%0.71SS**  trans-55.3140.3162.3-21.433.1000110.3T1427P1425-T1427 PolarHBondContact O-N 3.19Å; P1425-T1427 VanDerWaalsContact O-N 3.1Å
1426L32.1Very low31.8Very low163 Ų163139.5 Ų139.585%0.85371%0.713SS**  trans-64.7109.5176.8-82.9157.3000109.8I1428L1426-I1428 HydrophobicContact CB-CG1 4.43Å; L1426-I1428 PolarHBondContact O-N 3.48Å
1427T30.2Very low31.8Very low121 Ų121138.9 Ų138.974%0.74272%0.721SS**  trans-81.692.8167.8-43.60000107.5P1425 H1429P1425-T1427 PolarHBondContact O-N 3.19Å; P1425-T1427 VanDerWaalsContact O-N 3.1Å; T1427-H1429 PolarHBondContact O-N 3.42Å
1428I35Very low32.1Very low136 Ų136137.4 Ų137.470%0.69773%0.732SS**  trans-70.8119.4-179.4-64.1177.1000109.2L1426L1426-I1428 HydrophobicContact CB-CG1 4.43Å; L1426-I1428 PolarHBondContact O-N 3.48Å
1429H30.1Very low32.3Very low172 Ų172138 Ų13880%0.79674%0.741SS**  trans-74.7122.7164.2-102-106.6000109.2T1427T1427-H1429 PolarHBondContact O-N 3.42Å
1430N34.7Very low32.5Very low140 Ų140143.5 Ų143.575%0.74976%0.761SS**  trans-133.8104.8148.8-84.6-32.5000105.3
1431Y32.9Very low32.7Very low212 Ų212143.3 Ų143.383%0.83177%0.766SS**  70.6117.291-103.7-81.6000113.4
1432V30.8Very low32.8Very low112 Ų112142.3 Ų142.368%0.67977%0.771SS**  trans-95.5143.4-172.4169.80000110.2
1433P34.7Very low32.9Very low119 Ų119138.9 Ų138.977%0.77377%0.769SS**  trans-111.1125.4142.70.120.5000110.2
1434H29.2Very low32.9Very low167 Ų167138.2 Ų138.277%0.77377%0.768SS**  trans-75.9155.2161.3-88.3-64.4000109.5
1435P39.6Very low33.2Very low107 Ų107135.2 Ų135.270%0.69577%0.766SS**  -130.4141.5115.735.9-30000114.4
1436H33.8Very low33.4Very low166 Ų166134.8 Ų134.877%0.76976%0.763SS**  trans7.7117.3139.2-51.9-74000117.1
1437S28.8Very low33.7Very low106 Ų106132.2 Ų132.274%0.74176%0.756SS**  cis88.178.749.877.80000115.4
1438S34.8Very low33.7Very low107 Ų107131.6 Ų131.675%0.74875%0.754SS**  trans-157.3116.4158.259.30000113.6
1439L33.6Very low33.8Very low159 Ų159131.4 Ų131.483%0.83276%0.762SS**  trans42.8114.1139.6-61.7162.1000121.1
1440H33.3Very low33.9Very low176 Ų176127.4 Ų127.482%0.81576%0.758SS**  28.1151.5119.2-84.3-89.6000121.5
1441P31.7Very low33.6Very low115 Ų115129.9 Ų129.975%0.74777%0.765SS**  cis-138.9141.3-45.435.1-16.9000113
1442G34.8Very low33.4Very low74 Ų74124.4 Ų124.476%0.76376%0.758SS**  trans-166.982.6179.300000115.5S1444G1442-S1444 PolarHBondContact O-N 2.64Å
1443S31.7Very low33.3Very low112 Ų112127.1 Ų127.178%0.78377%0.769SS**  trans-90.679.5-179.858.20000112.9I1445S1443-I1445 VanDerWaalsContact C-N 3.28Å; S1443-I1445 PolarHBondContact O-N 2.99Å; S1443-I1445 VanDerWaalsContact O-N 3.16Å
1444S34.4Very low32.9Very low115 Ų115129.2 Ų129.280%0.80477%0.77SS**  trans-83.866.416845.10000111.6G1442 P1446G1442-S1444 PolarHBondContact O-N 2.64Å; S1444-P1446 WeakPolarHBondContact O-CD 3.2Å
1445I36.8Very low32.8Very low144 Ų144128.5 Ų128.574%0.73877%0.77SS**PPolyproline II helixtrans-71.1120.6168.4-62.1175000107.7S1443S1443-I1445 VanDerWaalsContact C-N 3.28Å; S1443-I1445 PolarHBondContact O-N 2.99Å; S1443-I1445 VanDerWaalsContact O-N 3.16Å
1446P38.4Very low32.1Very low108 Ų108130.1 Ų130.170%0.70177%0.773SS**PPolyproline II helixtrans-64.5139.5174.527.2-33.4000109.9S1444S1444-P1446 WeakPolarHBondContact O-CD 3.2Å
1447P38.3Very low31.9Very low109 Ų109130 Ų13071%0.70878%0.784SS**PPolyproline II helixtrans-72.4150.9-164.628.7-36.2000113.1
1448P30.1Very low31.6Very low108 Ų108129.9 Ų129.970%0.70179%0.789SS**PPolyproline II helixtrans-66.4139163.130.4-33.3000109.7A1450P1448-A1450 PolarHBondContact O-N 2.86Å
1449P37.1Very low31.2Very low132 Ų132128.7 Ų128.786%0.85779%0.786SS**PPolyproline II helixtrans-55.4128.7166-24.435.1000110
1450A31.8Very low30.9Very low87 Ų87126.1 Ų126.172%0.71979%0.788SS**PPolyproline II helixtrans-80.3156.5-160.200000114.6P1448 S1452P1448-A1450 PolarHBondContact O-N 2.86Å; A1450-S1452 PolarHBondContact O-N 3.19Å
1451H29.8Very low30.6Very low192 Ų192122.1 Ų122.189%0.88979%0.785SS**  trans-71.5106.9162.9-85.8-99.6000110.3
1452S28.3Very low30.3Very low98 Ų98121.8 Ų121.869%0.68579%0.785SS**  trans-15964.2163.261.20000111.6A1450A1450-S1452 PolarHBondContact O-N 3.19Å
1453D28.5Very low29.9Very low168 Ų168125.6 Ų125.690%0.89879%0.787SS**  -169.4113.1118.7-92.2-16.8000110.6
1454M25.5Very low29.7Very low163 Ų163127.3 Ų127.380%0.80379%0.787SS**  trans-80.3163.2169.2-80.8163.634.200109.8
1455I27Very low29.4Very low152 Ų152129.3 Ų129.378%0.77979%0.789SS**SBendtrans87.581179.9-48.5158.1000113.3
1456N25.6Very low28.9Very low142 Ų142125.7 Ų125.776%0.75979%0.787SS**SBend171.7-11.8128.8-89.2-29000114.7A1458N1456-A1458 PolarHBondContact O-N 3.07Å
1457V28.9Very low28.4Very low162 Ų162131 Ų13198%0.98280%0.799SS**SBendtrans-78.358.5177-1650000111.8
1458A23.9Very low27.8Very low104 Ų104134.8 Ų134.886%0.8680%0.799SS**  trans-138.321.417600000112.1N1456N1456-A1458 PolarHBondContact O-N 3.07Å
1459A24.6Very low28Very low82 Ų82137.3 Ų137.368%0.67881%0.806SS**  trans-142.480.1-177.800000111.6
1460A27.9Very low27.8Very low106 Ų106136.4 Ų136.488%0.87680%0.8SS**  trans-140.614.1169.200000112.8
1461A27.6Very low27.7Very low91 Ų91138.9 Ų138.975%0.75280%0.797SS**SBendtrans-109.3124.1161.100000106.6
1462S24.5Very low27.6Very low108 Ų108133.4 Ų133.476%0.75579%0.785SS**SBendtrans68.7155.1-161.7-54.70000114.3
1463L26.8Very low27.9Very low154 Ų154138.5 Ų138.581%0.80680%0.795SS**  trans70.3135.2-170.1-46.3177000114.5
1464L27.6Very low28Very low148 Ų148137.5 Ų137.578%0.77579%0.789SS**  cis-156175.4-21.2-126.7176.5000109.6
1465N29Very low28.2Very low158 Ų158136.2 Ų136.285%0.84579%0.785SS**  trans-69.8146.9179.9-67.2-52000113.5
1466G24.9Very low28.4Very low67 Ų67138.4 Ų138.469%0.69179%0.792SS**  trans112.796.5145.600000117.3
1467F27.8Very low28.6Very low220 Ų220139.7 Ų139.797%0.96579%0.791SS**  trans-113.8107150.2-93.8-87.9000108.9
1468R27.6Very low28.7Very low189 Ų189137.9 Ų137.971%0.71378%0.782SS**PPolyproline II helixtrans-82134.6172.4-84176.9142.7-148.4-12.1109.8E1471R1468-E1471 IonicContact CZ-OE1 2.68Å; R1468-E1471 VanDerWaalsContact CZ-OE1 3.27Å; R1468-E1471 IonicContact CZ-OE2 2.95Å; R1468-E1471 IonicContact NH1-OE1 2.74Å; R1468-E1471 PolarHBondContact NH1-OE1 3.44Å; R1468-E1471 IonicContact NH1-OE2 2.77Å; R1468-E1471 PolarHBondContact NH1-OE2 3.17Å; R1468-E1471 IonicContact NH2-OE1 3.19Å; R1468-E1471 PolarHBondContact NH2-OE1 3.13Å; R1468-E1471 IonicContact NH2-OE2 2.65Å
1469L32.8Very low29Very low161 Ų161140.5 Ų140.584%0.84378%0.777SS**PPolyproline II helixtrans-76.5158.7156.8-73.4168.4000109.7
1470P33.2Very low29.1Very low112 Ų112141.3 Ų141.373%0.72778%0.778SS**PPolyproline II helixtrans-68.1131.9-160-23.535.2000115.5A1472P1470-A1472 HydrophobicContact CB-CB 4.17Å; P1470-A1472 PolarHBondContact O-N 2.75Å
1471E29.3Very low29.1Very low139 Ų139143.8 Ų143.865%0.6577%0.773SS**  trans-75.367.9163.1-77.6179.2154.900110.3R1468R1468-E1471 IonicContact CZ-OE1 2.68Å; R1468-E1471 VanDerWaalsContact CZ-OE1 3.27Å; R1468-E1471 IonicContact CZ-OE2 2.95Å; R1468-E1471 IonicContact NH1-OE1 2.74Å; R1468-E1471 PolarHBondContact NH1-OE1 3.44Å; R1468-E1471 IonicContact NH1-OE2 2.77Å; R1468-E1471 PolarHBondContact NH1-OE2 3.17Å; R1468-E1471 IonicContact NH2-OE1 3.19Å; R1468-E1471 PolarHBondContact NH2-OE1 3.13Å; R1468-E1471 IonicContact NH2-OE2 2.65Å
1472A29.1Very low29.1Very low77 Ų77147.1 Ų147.164%0.63677%0.773SS**  trans-111.4-3.1-17900000114.2P1470P1470-A1472 HydrophobicContact CB-CB 4.17Å; P1470-A1472 PolarHBondContact O-N 2.75Å
1473F33.6Very low29.5Very low205 Ų205149.2 Ų149.290%0.89978%0.775SS**SBendtrans-123.611.2-180-86-80.8000114.1
1474L30.8Very low29.6Very low147 Ų147147.8 Ų147.877%0.7778%0.775SS**SBendtrans-133.454.9-179.2-76.4173.4000112.2
1475N29.3Very low29.6Very low137 Ų137145.2 Ų145.273%0.73377%0.769SS**  trans-169.984.9156.1-99.4-29000111.5
1476H32.6Very low29.6Very low198 Ų198144.4 Ų144.492%0.91777%0.769SS**  trans-141.784.4156.5-98.756.6000107.5
1477F28.8Very low29.8Very low168 Ų168147.2 Ų147.274%0.73778%0.779SS**  trans-72.9152.9163.8-91.1-89000109.4
1478P32.2Very low29.7Very low124 Ų124142.7 Ų142.781%0.80577%0.774SS**  -120.9149116.534.1-32.8000113.8
1479H29.5Very low29.8Very low159 Ų159136.7 Ų136.774%0.73677%0.771SS**  trans-72.6134.3-167.7-76-107.6000116.5
1480S26.9Very low29.6Very low100 Ų100134.6 Ų134.670%0.69977%0.77SS**  trans60.6172.4130.473.60000121.8
1481M27.4Very low29.3Very low158 Ų158134.2 Ų134.278%0.77877%0.77SS**  trans75.7136.4-177.5-52.1-71.5-84.100114.6
1482Q27.7Very low29.3Very low161 Ų161132.1 Ų132.175%0.75277%0.771SS**  cis-157.3145-22.2-170169.4-3.200108
1483L32.4Very low29.2Very low151 Ų151135.8 Ų135.879%0.79178%0.779SS**  trans-79.3150.7173.6-87.8140.4000111.3
1484P30.2Very low29Very low125 Ų125132.4 Ų132.481%0.81277%0.77SS**  -111.5156.2123.233.2-33.6000111.5
1485S26.6Very low28.9Very low94 Ų94130.5 Ų130.566%0.65776%0.761SS**  trans-133.5161.4-170.352.80000112.3
1486V28.5Very low29Very low140 Ų140132.7 Ų132.785%0.84876%0.759SS**  trans53.3123.8161.5-65.50000120.4
1487S28.8Very low28.9Very low126 Ų126131.5 Ų131.588%0.88175%0.751SS**  -150.1173.7116.6750000109.5
1488S27.1Very low29Very low125 Ų125129.6 Ų129.687%0.87475%0.748SS**  trans-153.3138.9-164.3540000114.5
1489G30Very low28.9Very low63 Ų63128.7 Ų128.765%0.64974%0.741SS**  trans-177.5144.4166.900000109.1
1490S27.1Very low28.8Very low118 Ų118132.3 Ų132.383%0.82575%0.748SS**  cis63.7125.846.476.30000112.7
1491S28.6Very low29Very low104 Ų104131.7 Ų131.773%0.72774%0.744SS**  cis-162.1178.87.855.40000112
1492S28.4Very low29.1Very low95 Ų95128.7 Ų128.766%0.66474%0.738SS**  trans51.5112.4152.8520000119.4
1493L27.6Very low29.2Very low154 Ų154127.9 Ų127.981%0.80674%0.739SS**  68.1130.371.8-80.1168.8000116.6
1494N28.8Very low29Very low134 Ų134126.2 Ų126.272%0.71774%0.736SS**  trans74.4148.8157.8-60.7-9.8000117.4
1495D29.6Very low28.9Very low106 Ų106126.5 Ų126.557%0.56774%0.735SS**  cis-152.9165.15.1-141.5-18000115.6
1496R29.7Very low28.9Very low183 Ų183127 Ų12769%0.69174%0.744SS**  trans65.1117.8147.7-79.2155.5-151.9-152.44.3123.3
1497K31.9Very low29Very low174 Ų174124.1 Ų124.176%0.75774%0.743SS**  76.3152.7128.3-65.8173.6-180-1790116.8
1498N29.5Very low28.8Very low127 Ų127124.6 Ų124.668%0.67974%0.741SS**  cis-150.8157.714.9-146.314.5000113.6
1499T30.7Very low28.9Very low106 Ų106126.1 Ų126.165%0.6574%0.738SS**  trans55.6122.4154.644.30000120.3
1500R28.2Very low28.7Very low235 Ų235128.8 Ų128.889%0.88774%0.742SS**  70.2131.189.4-130.6-161.3-178.5169.4-0.9112.3
1501S29.8Very low28.6Very low86 Ų86128.8 Ų128.860%0.60174%0.737SS**  cis-160.1146.524.8-36.60000113.8
1502S30.5Very low28.4Very low95 Ų95128.9 Ų128.966%0.66474%0.737SS**  trans46.711913465.10000123.2
1503N29.4Very low28.3Very low144 Ų144128.6 Ų128.677%0.7774%0.736SS**  108.1134.3116.7-74.814.2000123.4
1504T28.7Very low28.3Very low117 Ų117128.9 Ų128.972%0.71874%0.738SS**  trans75.7101.2140.147.40000122.7
1505T28Very low28.1Very low131 Ų131127.1 Ų127.180%0.80474%0.736SS**  98.1140.1110.5-600000120
1506A27.3Very low28Very low103 Ų103126.5 Ų126.585%0.85174%0.74SS**  trans66.5109.7169.500000117
1507G30Very low28Very low80 Ų80125.6 Ų125.683%0.82574%0.743SS**  trans177.277177.800000112.3
1508T25.1Very low27.9Very low136 Ų136124.3 Ų124.383%0.83474%0.744SS**  trans-69.4134.2170.5-49.40000109.8
1509I27.7Very low27.9Very low158 Ų158125.1 Ų125.181%0.8175%0.747SS**  trans168.9153.5138.5-88.6156.2000110.3
1510T25.6Very low28.2Very low118 Ų118125.3 Ų125.372%0.72475%0.75SS**  trans-75.4-179.3-174.348.70000115.2
1511T25.6Very low28.3Very low119 Ų119121.5 Ų121.573%0.7375%0.745SS**  trans84.790.9157.358.10000120.6
1512S25.2Very low28.6Very low105 Ų105123.7 Ų123.773%0.73475%0.75SS**  93.4155.6114.184.80000121.2
1513S25.8Very low28.7Very low90 Ų90123.7 Ų123.763%0.62975%0.748SS**  trans78.8117.4147-51.10000119.6
1514N26.9Very low29Very low159 Ų159128.3 Ų128.385%0.8576%0.755SS**  trans69.7149.9153.7-50-27.8000117.3
1515S26.5Very low29.1Very low97 Ų97128.9 Ų128.968%0.67876%0.757SS**  cis-168.1150.1-24.852.20000109.5
1516S26.7Very low29.1Very low93 Ų93128.8 Ų128.865%0.6575%0.754SS**  trans63.3150.615664.90000121.5
1517H28.5Very low29.2Very low165 Ų165130.2 Ų130.276%0.76475%0.749SS**  trans81.7127.4160.8-58.4-64.7000121.4
1518L30.3Very low29.2Very low147 Ų147133.2 Ų133.277%0.7774%0.744SS**  trans73.8124.1166.3-47.3-179.4000117
1519I30.7Very low29.4Very low144 Ų144133 Ų13374%0.73874%0.739SS**  cis82.9127.328.9-57.6170.9000112.6
1520P35.6Very low29.5Very low109 Ų109131.3 Ų131.371%0.70873%0.734SS**  cis-140.7-140-25.939.3-17.1000112.3
1521I30.6Very low29.8Very low156 Ų156132.3 Ų132.380%0.874%0.735SS**  trans92.998.4164.4-52.4-175.4000117.2
1522N37.1Very low30.1Very low132 Ų132133.3 Ų133.371%0.70674%0.735SS**  trans-77.3173153.6-133.338.5000109.5
1523P31.9Very low30.6Very low94 Ų94135.7 Ų135.761%0.6174%0.735SS**  cis-138.1141.38.638.2-19.2000117.1
1524W36.3Very low31Very low242 Ų242139.8 Ų139.892%0.91775%0.745SS**  trans-147.20141.4-95.389.9000108.1S1310S1310-W1524 WeakPolarHBondContact CB-OXT 3.29Å; S1310-W1524 PolarHBondContact N-OXT 2.75Å; S1310-W1524 VanDerWaalsContact N-OXT 3.15Å; S1310-W1524 PolarHBondContact OG-OXT 3.34Å

Retrieved 1,524 of 1,524 residues in 928.1 ms (Link to these results)