A0A3Q0KPL5_SCHMA Loading...

Putative chromobox protein

AlphaFold DB , UniProt , Accession A0A3Q0KPL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,679 aa.

>A0A3Q0KPL5_SCHMA|A0A3Q0KPL5
MHKSRSRTSGVYRVEHLVGKRIRGSRVEYLVKWKNWSDEHNTWEPEKNILDKRLIESFERREKRKKAQQELNSHERSISAESQRSSPLNSPDKHYDYHHDNISKSKENVSMITSPERVICSRGTIECESPIVLSKTDPILSSFLNTAATSAKVICNKDSDNVIKNIPISSCSPNLSIDPMTSNSSTRTTPNSISSPVNIESNNNNNDLCFDRRFRRTTLLVAAASASAANAAAALAHSRISGRQTQQTTNITHTENSQPVISPSLSDMTRNMTTSTTTTTTTSSSTINTTTTITTFNVTNDERPKIRLTIPRDRILPCPPVGVSSNSSCNSQNSSQLTSSSIEDSDHSSFLELNTSLKHDDSISTATKTTTHFIAPVELPRRSSTTLSPHTFNPTGGMRLPEIQIENSPQSFYTDAIGTLNTCKSPKWTKQTPCINTSNVMQLPKLFISSTTIPSSSSSTPFDLIISTKKRHRQLRSESCLSSPGNEEYECTKRRKHSQKKDKRKRRHDQTSDHHHHYYHHHRQKSGYSSSFEDYNVSVSKIRRRSGSSTSLTSSLSTDSFSPTISNNTSPNEDFPRLAPLRIHLPRSLTTQLSGSDSVCSYTDNHHESLIDYHHHPTYRLSSSSSSSSTSSTSCRTTVSTKHRNDIIIGQNHMLSHNTTNQIHSNYREQIHLVPEMCITDITVNGLTISIKECSGPGNFFGIPTSQLVQHNCYKNEYITNSDDDDDDFTTVTTVIDSCKMPSTTVTTTNSTSTITTPYTMTTPTPITTRTIKPLCLNLKEQNLSSVITKLDTSIEDNLTINNSNNNINDLTTKNVDNVNLCDIKQGNVVSIDNDNMIQKYVKKNSLSQYADENVAPDQQQNCINYPVNQSNPDMSDLSLHSISPVSISSPLLTSSSPDTMCSIVITSLPSSSPEMNNLQLSTIYEETETSSTTISSVVSVENEHKIENETIIESCSTPNPTAIKSENELTIIPSTSSIIVNNTSVPSSLSAPSSSTSEIVLSSHSQSSSSSFMLAATEAIMKSSLNSPSSPGLLLPPRRSSTPIEHSPPYIPQLSFINSCKKSNLNETCESKSPPQLHDTTILHTNQTNNNNVCKINNPITSTNTDINTIATCISICKPLPTLAINTTTTAYSNNNSNSPRKTLTLKPSITTTTAIAASSSTRNRPMATIFGQVRNRGTTSVKYSTNTGVNQLTSTINNTSYVNSVEYSSSRKTSVKSKYASTVITNNWNNHTCDTLNSSKPIGMINASQMNNNRKKTNDLDNIYTFPDESPTYTIPNCSSTISNTCHLDTVSSSSPRIITSLDSKHTHSSVRSKSAVKQNHYLQRNQRCLSSSSPSSLTSVSSTLSSSSSSLSTTTIQSDLMIKTLSPFLNLSTLSSSIIHPNNNNNNNNNASSLDQCLSTPSTVIDNQQHKVNNNNNNNNGRNGNSTPSSSYLHKANPDSSALAAAVCLQQLQMQMMCCTTNPTAMAVALNALNGFSSNSIIPNMNFSSFHMNPGASHQSNNNNSTVTATTATNTASNSNANTSEWLTSNKSNNNNDNNNNNFLNTLNPMDSNFTLPINNPSLLFFPNEHGLLLNPCGIPSTYPNHISSSNHSTDFSMFTQFTDYIDGFSLGNMLSPSLSNLTSGCPDLLNLNSIHLSPCLNTNSLITTATNTTTTGTVNDMLDNSDLPIDLSAKR
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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
1M44.2Very low56.5Low212 Ų212132.2 Ų132.2100%1.04470%0.7SS**  0117.30-6816874.900109K3M1-K3 PolarHBondContact O-N 3.45Å
2H42.4Very low59.6Low194 Ų194134.9 Ų134.990%0.89870%0.696SS**  trans-72.696.9175.1-81.7-97.3000110.6S4H2-S4 VanDerWaalsContact C-N 3.26Å; H2-S4 PolarHBondContact O-N 2.73Å; H2-S4 VanDerWaalsContact O-N 3.12Å
3K46.9Very low62.3Low151 Ų151140.4 Ų140.466%0.65770%0.702SS**  trans-84.373.9171.1-165.8166.9-1741700108.5M1 R5M1-K3 PolarHBondContact O-N 3.45Å; K3-R5 VanDerWaalsContact C-N 3.32Å; K3-R5 PolarHBondContact O-N 3.14Å
4S47.9Very low64.7Low112 Ų112132.7 Ų132.778%0.78367%0.666SS**  trans-60.292.3176.640.30000110.2H2 S6H2-S4 VanDerWaalsContact C-N 3.26Å; H2-S4 PolarHBondContact O-N 2.73Å; H2-S4 VanDerWaalsContact O-N 3.12Å; S4-S6 PolarHBondContact O-N 3.19Å
5R42.8Very low66.9Low164 Ų164130 Ų13062%0.61965%0.65SS**  trans-72.491.6177.5-82.8168.2144.7158-7.7109.4K3 R7K3-R5 VanDerWaalsContact C-N 3.32Å; K3-R5 PolarHBondContact O-N 3.14Å; R5-R7 HydrophobicContact CB-CB 4.09Å; R5-R7 HydrophobicContact CB-CG 4.05Å; R5-R7 HydrophobicContact CG-CG 4.34Å; R5-R7 PolarHBondContact O-N 3.02Å
6S46.3Very low68.7Low80 Ų80125.5 Ų125.556%0.55963%0.626SS**  -56.2100.1128.9173.30000105.2S4 S9S4-S6 PolarHBondContact O-N 3.19Å; S6-S9 PolarHBondContact OG-OG 3.25Å; S6-S9 VanDerWaalsContact OG-OG 3.09Å
7R52.6Low70.5Confident197 Ų197118.2 Ų118.274%0.74359%0.59SS**  trans-87.7-0.3-169.6-141.4163.3180158-9.3111.6R5R5-R7 HydrophobicContact CB-CB 4.09Å; R5-R7 HydrophobicContact CB-CG 4.05Å; R5-R7 HydrophobicContact CG-CG 4.34Å; R5-R7 PolarHBondContact O-N 3.02Å
8T54.4Low72Confident130 Ų130114.8 Ų114.880%0.79858%0.577SS**SBendtrans-120.6-29.9-158.646.10000114.1
9S67.4Low73.3Confident68 Ų68109.6 Ų109.648%0.47656%0.555SS.*SBendtrans-80-20.9-170.355.10000115.5S6 V11S6-S9 PolarHBondContact OG-OG 3.25Å; S6-S9 VanDerWaalsContact OG-OG 3.09Å; S9-V11 PolarHBondContact O-N 3.44Å
10G85.5Confident74.6Confident56 Ų56108.2 Ų108.258%0.57755%0.545SS*.  trans64.92.6-175.800000115.5Y12G10-Y12 WeakPolarHBondContact O-CD2 3.42Å; G10-Y12 WeakPolarHBondContact O-CE2 3.47Å
11V91.6Very high75.6Confident90 Ų90107.1 Ų107.155%0.54553%0.534SS..  trans-89.5127.7-178.9-178.70000110.6S9 L50S9-V11 PolarHBondContact O-N 3.44Å; V11-L50 HydrophobicContact CB-CD1 4.49Å; V11-L50 HydrophobicContact CG1-CD1 3.9Å; V11-L50 HydrophobicContact CG2-CD1 3.74Å
12Y93.4Very high78.2Confident165 Ų165103.1 Ų103.165%0.64752%0.516SS*.  trans-113.9142.1-179.6-61.1-85000111G10 V14 W33G10-Y12 WeakPolarHBondContact O-CD2 3.42Å; G10-Y12 WeakPolarHBondContact O-CE2 3.47Å; Y12-V14 PolarHBondContact O-N 3.11Å; Y12-W33 VanDerWaalsContact CB-CZ3 3.44Å; Y12-W33 HydrophobicContact CG-CZ3 4.48Å
13R94.6Very high80.7Confident206 Ų206101 Ų10178%0.77750%0.5SS*.  trans-74.5120.1178.5-73.8-175.3172.2-175-3.6110.8K34R13-K34 HydrophobicContact CB-CB 4.04Å; R13-K34 HydrophobicContact CB-CD 4.48Å; R13-K34 VanDerWaalsContact O-CB 3.26Å; R13-K34 WeakPolarHBondContact O-CB 3.47Å; R13-K34 PolarHBondContact O-N 3.31Å
14V96.4Very high82.9Confident33 Ų3397.1 Ų97.120%0.250%0.502CS..EExtended strand (participates in β ladder)trans-83.8149.1170.5179.80000109.8Y12 H16 L17 V31 W33 L54Y12-V14 PolarHBondContact O-N 3.11Å; V14-H16 WeakPolarHBondContact CG1-O 3.35Å; V14-L17 HydrophobicContact CG1-CD2 4.33Å; V14-V31 HydrophobicContact CB-CG1 4.24Å; V14-V31 HydrophobicContact CG1-CG1 3.82Å; V14-V31 HydrophobicContact CG2-CG1 3.61Å; V14-W33 HydrophobicContact CG2-CE3 4.09Å; V14-W33 HydrophobicContact CG2-CZ3 3.71Å; V14-L54 HydrophobicContact CB-CD1 3.8Å; V14-L54 HydrophobicContact CG1-CD1 3.84Å; V14-L54 HydrophobicContact CG1-CD2 4.23Å; V14-L54 HydrophobicContact CG2-CD1 4.2Å
15E96.4Very high85.1Confident92 Ų9297.4 Ų97.443%0.4350%0.504SS..EExtended strand (participates in β ladder)trans-94.9-53.7168.3-166.8-164.4109.400110.2K32 K34E15-K32 HydrophobicContact CB-CB 4.28Å; E15-K32 HydrophobicContact CB-CG 3.71Å; E15-K32 HydrophobicContact CG-CG 4.26Å; E15-K32 PolarHBondContact N-O 3.12Å; E15-K32 VanDerWaalsContact OE2-CE 3.26Å; E15-K32 WeakPolarHBondContact OE2-CE 3.43Å; E15-K34 HydrophobicContact CB-CB 4.3Å
16H97Very high87.6Confident58 Ų5898.2 Ų98.227%0.26951%0.507SS..EExtended strand (participates in β ladder)trans-160.4171.5172.662-92.2000111.2V14 K32V14-H16 WeakPolarHBondContact CG1-O 3.35Å; H16-K32 WeakPolarHBondContact O-CB 3.4Å; H16-K32 PolarHBondContact O-N 3.17Å
17L98.1Very high90Very high2 Ų295.8 Ų95.81%0.0149%0.489CS..EExtended strand (participates in β ladder)trans-94.1136.9167.3-49.7178.6000109.9V14 Y29 V31 I49 L54 I55 F58 R61V14-L17 HydrophobicContact CG1-CD2 4.33Å; L17-Y29 HydrophobicContact CD1-CD1 3.72Å; L17-Y29 HydrophobicContact CD1-CE1 4.27Å; L17-Y29 HydrophobicContact CD1-CG 3.89Å; L17-V31 HydrophobicContact CD2-CG2 3.95Å; L17-I49 HydrophobicContact CD1-CG2 4.39Å; L17-I49 HydrophobicContact CD2-CD1 4.06Å; L17-L54 HydrophobicContact CD1-CB 4.14Å; L17-L54 WeakPolarHBondContact CD1-O 3.5Å; L17-L54 HydrophobicContact CG-CB 4.09Å; L17-I55 HydrophobicContact CD1-CG1 4.07Å; L17-F58 HydrophobicContact CB-CB 3.97Å; L17-F58 HydrophobicContact CB-CD2 3.99Å; L17-F58 HydrophobicContact CB-CG 4Å; L17-F58 HydrophobicContact CD1-CB 4.25Å; L17-F58 WeakPolarHBondContact O-CD2 3.41Å; L17-R61 PolarHBondContact O-NH1 3.46Å
18V97.5Very high92.2Very high57 Ų5786.9 Ų86.935%0.34546%0.456SS..EExtended strand (participates in β ladder)trans-100.2-32.5-172.8-1750000111.7L30 K32V18-L30 HydrophobicContact CB-CB 4.29Å; V18-L30 HydrophobicContact CB-CD2 4.09Å; V18-L30 HydrophobicContact CB-CG 4.06Å; V18-L30 HydrophobicContact CG1-CD2 4.08Å; V18-L30 PolarHBondContact N-O 3.16Å; V18-K32 HydrophobicContact CG2-CB 3.74Å
19G97.7Very high94.3Very high16 Ų1680.7 Ų80.717%0.16542%0.418CS..EExtended strand (participates in β ladder)trans-161.5168.5-175.900000113.1Y29 L30 F58G19-Y29 CarbonylContact O-C 3.59Å; G19-Y29 VanDerWaalsContact O-CA 3.28Å; G19-Y29 WeakPolarHBondContact O-CA 2.86Å; G19-L30 PolarHBondContact O-N 2.89Å; G19-F58 VanDerWaalsContact C-CZ 3.46Å
20K97.8Very high95.8Very high80 Ų8079 Ų7935%0.34840%0.404SS..EExtended strand (participates in β ladder)trans-134.3138177.6177.1174.8-177145.50109.2V27 E28 Y29 F58 E59K20-V27 HydrophobicContact CD-CG1 4.25Å; K20-V27 HydrophobicContact CG-CG1 4.02Å; K20-E28 WeakPolarHBondContact CA-O 3.35Å; K20-Y29 HydrophobicContact CB-CD1 3.9Å; K20-Y29 HydrophobicContact CB-CE1 3.93Å; K20-Y29 HydrophobicContact CD-CD1 4.44Å; K20-Y29 HydrophobicContact CD-CE1 3.63Å; K20-Y29 HydrophobicContact CG-CD1 4.15Å; K20-Y29 HydrophobicContact CG-CE1 3.82Å; K20-Y29 PolarHBondContact NZ-OH 3.48Å; K20-F58 HydrophobicContact CB-CE1 3.49Å; K20-F58 VanDerWaalsContact CB-CE1 3.49Å; K20-F58 HydrophobicContact CB-CZ 3.81Å; K20-F58 HydrophobicContact CD-CE1 4.31Å; K20-E59 IonicContact NZ-OE1 2.73Å; K20-E59 PolarHBondContact NZ-OE1 3.29Å
21R97.5Very high96.4Very high87 Ų8776.4 Ų76.433%0.32838%0.376SS..EExtended strand (participates in β ladder)trans-138.2165.8172.576.9-175.1-175.3-166.5-2.3110.5E28 W43R21-E28 HydrophobicContact CG-CB 4.01Å; R21-E28 IonicContact CZ-OE2 2.91Å; R21-E28 PolarHBondContact N-O 3.37Å; R21-E28 IonicContact NE-OE2 2.67Å; R21-E28 PolarHBondContact NE-OE2 3.29Å; R21-E28 IonicContact NH2-OE2 3.02Å; R21-E28 PolarHBondContact NH2-OE2 2.75Å; R21-E28 PolarHBondContact O-N 2.69Å; R21-W43 HydrophobicContact CB-CE3 4.38Å; R21-W43 HydrophobicContact CB-CH2 3.88Å; R21-W43 HydrophobicContact CB-CZ3 3.73Å; R21-W43 HydrophobicContact CG-CD2 4.23Å; R21-W43 HydrophobicContact CG-CE3 3.6Å; R21-W43 HydrophobicContact CG-CH2 3.96Å; R21-W43 HydrophobicContact CG-CZ3 3.47Å; R21-W43 VanDerWaalsContact CG-CZ3 3.47Å
22I97.2Very high96.7Very high128 Ų12873 Ų7366%0.65635%0.354SS*.EExtended strand (participates in β ladder)trans-116.8125.7171.1-57.6175.1000107.5R26I22-R26 CarbonylContact C-O 3.54Å; I22-R26 WeakPolarHBondContact CA-O 3.26Å
23R96.2Very high96.8Very high150 Ų15067 Ų6757%0.56633%0.33SS*.EExtended strand (participates in β ladder)trans-135118.5179.1-170.8173.167.9131.50.9109.4S25 R26 E28R23-S25 PolarHBondContact O-N 3.22Å; R23-R26 PolarHBondContact N-O 2.93Å; R23-R26 PolarHBondContact O-N 2.81Å; R23-R26 VanDerWaalsContact O-N 3.1Å; R23-E28 IonicContact CZ-OE1 3.94Å; R23-E28 IonicContact CZ-OE2 3.14Å; R23-E28 VanDerWaalsContact NE-CD 3.34Å; R23-E28 IonicContact NE-OE1 2.74Å; R23-E28 PolarHBondContact NE-OE1 2.91Å; R23-E28 IonicContact NE-OE2 2.7Å; R23-E28 PolarHBondContact NE-OE2 3.04Å; R23-E28 IonicContact NH2-OE1 3.78Å; R23-E28 PolarHBondContact NH2-OE1 2.67Å; R23-E28 IonicContact NH2-OE2 2.71Å
24G91.9Very high96.9Very high68 Ų6862.1 Ų62.170%0.70132%0.315SS*.THydrogen-bonded Turntrans54.154.2-178.600000112.7R26G24-R26 PolarHBondContact O-N 2.88Å
25S93.9Very high96.9Very high119 Ų11966.3 Ų66.383%0.83234%0.336SS*.THydrogen-bonded Turntrans54.9-2.7-171710000118R23R23-S25 PolarHBondContact O-N 3.22Å
26R96.1Very high96.9Very high181 Ų18167.8 Ų67.868%0.68334%0.338SS*.EExtended strand (participates in β ladder)trans-92.4140.4176.2-64178179.9172.10.4111.4I22 R23 G24I22-R26 CarbonylContact C-O 3.54Å; I22-R26 WeakPolarHBondContact CA-O 3.26Å; R23-R26 PolarHBondContact N-O 2.93Å; R23-R26 PolarHBondContact O-N 2.81Å; R23-R26 VanDerWaalsContact O-N 3.1Å; G24-R26 PolarHBondContact O-N 2.88Å
27V97.4Very high96.9Very high28 Ų2867.4 Ų67.417%0.1734%0.341CS..EExtended strand (participates in β ladder)trans-76.7132.2168176.60000109.1K20 Y29 P45 E46K20-V27 HydrophobicContact CD-CG1 4.25Å; K20-V27 HydrophobicContact CG-CG1 4.02Å; V27-Y29 HydrophobicContact CG1-CD2 4.12Å; V27-Y29 HydrophobicContact CG1-CE2 3.51Å; V27-P45 WeakPolarHBondContact O-CA 3.44Å; V27-E46 HydrophobicContact CB-CB 4.09Å; V27-E46 WeakPolarHBondContact CB-OE2 3.39Å; V27-E46 HydrophobicContact CG1-CB 4.21Å; V27-E46 PolarHBondContact O-N 3.45Å
28E98Very high96.8Very high11 Ų1172.1 Ų72.15%0.05137%0.367CS..EExtended strand (participates in β ladder)trans-126.6137.9172.1-64.1173.916800108.9K20 R21 R23 W43 E44K20-E28 WeakPolarHBondContact CA-O 3.35Å; R21-E28 HydrophobicContact CG-CB 4.01Å; R21-E28 IonicContact CZ-OE2 2.91Å; R21-E28 PolarHBondContact N-O 3.37Å; R21-E28 IonicContact NE-OE2 2.67Å; R21-E28 PolarHBondContact NE-OE2 3.29Å; R21-E28 IonicContact NH2-OE2 3.02Å; R21-E28 PolarHBondContact NH2-OE2 2.75Å; R21-E28 PolarHBondContact O-N 2.69Å; R23-E28 IonicContact CZ-OE1 3.94Å; R23-E28 IonicContact CZ-OE2 3.14Å; R23-E28 VanDerWaalsContact NE-CD 3.34Å; R23-E28 IonicContact NE-OE1 2.74Å; R23-E28 PolarHBondContact NE-OE1 2.91Å; R23-E28 IonicContact NE-OE2 2.7Å; R23-E28 PolarHBondContact NE-OE2 3.04Å; R23-E28 IonicContact NH2-OE1 3.78Å; R23-E28 PolarHBondContact NH2-OE1 2.67Å; R23-E28 IonicContact NH2-OE2 2.71Å; E28-W43 HydrophobicContact CB-CE3 4.12Å; E28-W43 WeakPolarHBondContact O-CZ3 3.31Å; E28-E44 CarbonylContact C-O 3.57Å; E28-E44 VanDerWaalsContact CA-O 3.24Å; E28-E44 WeakPolarHBondContact CA-O 3.34Å
29Y98.4Very high96.8Very high0 Ų077.9 Ų77.90%039%0.39CS..EExtended strand (participates in β ladder)trans-109.6141.4175.5-64.3-89.5000110.7L17 G19 K20 V27 V31 W43 E44 E46 I49 I55 F58L17-Y29 HydrophobicContact CD1-CD1 3.72Å; L17-Y29 HydrophobicContact CD1-CE1 4.27Å; L17-Y29 HydrophobicContact CD1-CG 3.89Å; G19-Y29 CarbonylContact O-C 3.59Å; G19-Y29 VanDerWaalsContact O-CA 3.28Å; G19-Y29 WeakPolarHBondContact O-CA 2.86Å; K20-Y29 HydrophobicContact CB-CD1 3.9Å; K20-Y29 HydrophobicContact CB-CE1 3.93Å; K20-Y29 HydrophobicContact CD-CD1 4.44Å; K20-Y29 HydrophobicContact CD-CE1 3.63Å; K20-Y29 HydrophobicContact CG-CD1 4.15Å; K20-Y29 HydrophobicContact CG-CE1 3.82Å; K20-Y29 PolarHBondContact NZ-OH 3.48Å; V27-Y29 HydrophobicContact CG1-CD2 4.12Å; V27-Y29 HydrophobicContact CG1-CE2 3.51Å; Y29-V31 PolarHBondContact O-N 3.46Å; Y29-W43 VanDerWaalsContact C-CE3 3.44Å; Y29-W43 CarbonylContact O-C 2.92Å; Y29-W43 WeakPolarHBondContact O-CA 3.48Å; Y29-E44 PolarHBondContact N-O 3.05Å; Y29-E44 PolarHBondContact O-N 3.35Å; Y29-E46 HydrophobicContact CD2-CB 4.32Å; Y29-E46 HydrophobicContact CE2-CB 3.83Å; Y29-E46 HydrophobicContact CE2-CG 3.78Å; Y29-E46 VanDerWaalsContact CE2-OE1 3.23Å; Y29-E46 WeakPolarHBondContact CE2-OE1 3.39Å; Y29-E46 PolarHBondContact OH-OE1 3.41Å; Y29-I49 HydrophobicContact CD2-CG1 4.15Å; Y29-I55 HydrophobicContact CE1-CG2 4.31Å; Y29-I55 HydrophobicContact CE2-CD1 4.15Å; Y29-I55 HydrophobicContact CE2-CG1 4.13Å; Y29-I55 VanDerWaalsContact OH-CG2 3.31Å; Y29-I55 WeakPolarHBondContact OH-CG2 3.42Å; Y29-F58 HydrophobicContact CD1-CD1 4.11Å; Y29-F58 HydrophobicContact CD1-CE1 4.25Å; Y29-F58 AromaticContact CE1-CD1 3.9Å; Y29-F58 HydrophobicContact CE1-CD1 3.9Å; Y29-F58 HydrophobicContact CE1-CE1 4.13Å
30L98.3Very high96.7Very high33 Ų3381.5 Ų81.517%0.17340%0.402CS..EExtended strand (participates in β ladder)trans-82.3114.1171.6-177.459.3000108.4V18 G19 N41 T42 W43V18-L30 HydrophobicContact CB-CB 4.29Å; V18-L30 HydrophobicContact CB-CD2 4.09Å; V18-L30 HydrophobicContact CB-CG 4.06Å; V18-L30 HydrophobicContact CG1-CD2 4.08Å; V18-L30 PolarHBondContact N-O 3.16Å; G19-L30 PolarHBondContact O-N 2.89Å; L30-N41 HydrophobicContact CD1-CB 3.73Å; L30-N41 WeakPolarHBondContact CD1-O 3.21Å; L30-N41 HydrophobicContact CG-CB 4.16Å; L30-T42 WeakPolarHBondContact CA-O 3.31Å; L30-W43 HydrophobicContact CB-CD2 3.99Å; L30-W43 HydrophobicContact CB-CE3 3.94Å; L30-W43 HydrophobicContact CB-CH2 3.8Å; L30-W43 HydrophobicContact CB-CZ2 3.85Å; L30-W43 HydrophobicContact CB-CZ3 3.83Å; L30-W43 HydrophobicContact CD1-CD2 4.24Å; L30-W43 HydrophobicContact CD1-CG 4.28Å; L30-W43 HydrophobicContact CD2-CZ2 4.15Å; L30-W43 HydrophobicContact CG-CZ2 4.41Å; L30-W43 VanDerWaalsContact N-CE3 3.35Å
31V98.3Very high96.7Very high0 Ų079 Ų790%039%0.393CS..EExtended strand (participates in β ladder)trans-94.4127.1-173178.60000110.4V14 L17 Y29 W33 N41 T42 E44 I49V14-V31 HydrophobicContact CB-CG1 4.24Å; V14-V31 HydrophobicContact CG1-CG1 3.82Å; V14-V31 HydrophobicContact CG2-CG1 3.61Å; L17-V31 HydrophobicContact CD2-CG2 3.95Å; Y29-V31 PolarHBondContact O-N 3.46Å; V31-W33 HydrophobicContact CB-CD2 4.47Å; V31-W33 HydrophobicContact CB-CH2 4.49Å; V31-W33 HydrophobicContact CB-CZ2 4.13Å; V31-W33 HydrophobicContact CG1-CD2 3.65Å; V31-W33 HydrophobicContact CG1-CE3 3.65Å; V31-W33 HydrophobicContact CG1-CG 4.33Å; V31-W33 HydrophobicContact CG1-CH2 3.86Å; V31-W33 HydrophobicContact CG1-CZ2 3.85Å; V31-W33 HydrophobicContact CG1-CZ3 3.74Å; V31-N41 WeakPolarHBondContact O-CA 3.24Å; V31-N41 VanDerWaalsContact O-CB 3.28Å; V31-N41 WeakPolarHBondContact O-CB 3.31Å; V31-N41 PolarHBondContact O-OD1 2.95Å; V31-T42 PolarHBondContact N-O 3.02Å; V31-E44 HydrophobicContact CB-CG 4.34Å; V31-E44 HydrophobicContact CG2-CB 3.8Å; V31-E44 HydrophobicContact CG2-CG 3.57Å; V31-I49 HydrophobicContact CG2-CD1 3.7Å
32K97.8Very high96.7Very high20 Ų2077.5 Ų77.59%0.08739%0.393CS..EExtended strand (participates in β ladder)trans-83110.5162.4175.964.4166.2-175.70108.6E15 H16 V18 W36 D38 N41E15-K32 HydrophobicContact CB-CB 4.28Å; E15-K32 HydrophobicContact CB-CG 3.71Å; E15-K32 HydrophobicContact CG-CG 4.26Å; E15-K32 PolarHBondContact N-O 3.12Å; E15-K32 VanDerWaalsContact OE2-CE 3.26Å; E15-K32 WeakPolarHBondContact OE2-CE 3.43Å; H16-K32 WeakPolarHBondContact O-CB 3.4Å; H16-K32 PolarHBondContact O-N 3.17Å; V18-K32 HydrophobicContact CG2-CB 3.74Å; K32-W36 PolarHBondContact NZ-O 3.05Å; K32-D38 VanDerWaalsContact CD-OD1 3.25Å; K32-D38 WeakPolarHBondContact CD-OD1 3.44Å; K32-D38 WeakPolarHBondContact CE-OD1 3.42Å; K32-D38 VanDerWaalsContact NZ-CG 3.31Å; K32-D38 IonicContact NZ-OD1 3.78Å; K32-D38 PolarHBondContact NZ-OD1 3.25Å; K32-D38 IonicContact NZ-OD2 3.21Å; K32-D38 PolarHBondContact NZ-OD2 3.43Å; K32-N41 WeakPolarHBondContact CA-OD1 3.34Å; K32-N41 WeakPolarHBondContact CD-OD1 3.41Å
33W97Very high96.8Very high39 Ų3975.4 Ų75.415%0.14838%0.377CS..EExtended strand (participates in β ladder)trans-77.5132.8178.3-64.2114.9000111.3Y12 V14 V31 N35 W36 H40 T42 E44Y12-W33 VanDerWaalsContact CB-CZ3 3.44Å; Y12-W33 HydrophobicContact CG-CZ3 4.48Å; V14-W33 HydrophobicContact CG2-CE3 4.09Å; V14-W33 HydrophobicContact CG2-CZ3 3.71Å; V31-W33 HydrophobicContact CB-CD2 4.47Å; V31-W33 HydrophobicContact CB-CH2 4.49Å; V31-W33 HydrophobicContact CB-CZ2 4.13Å; V31-W33 HydrophobicContact CG1-CD2 3.65Å; V31-W33 HydrophobicContact CG1-CE3 3.65Å; V31-W33 HydrophobicContact CG1-CG 4.33Å; V31-W33 HydrophobicContact CG1-CH2 3.86Å; V31-W33 HydrophobicContact CG1-CZ2 3.85Å; V31-W33 HydrophobicContact CG1-CZ3 3.74Å; W33-N35 PolarHBondContact O-N 3.07Å; W33-W36 HydrophobicContact CB-CB 4.14Å; W33-W36 HydrophobicContact CB-CG 4.05Å; W33-W36 PolarHBondContact O-N 2.89Å; W33-W36 VanDerWaalsContact O-N 3.16Å; W33-H40 VanDerWaalsContact CD1-O 3.26Å; W33-T42 WeakPolarHBondContact CZ2-OG1 3.38Å; W33-T42 PolarHBondContact NE1-OG1 2.72Å; W33-E44 HydrophobicContact CH2-CG 4.07Å; W33-E44 HydrophobicContact CZ2-CG 3.76Å
34K96.4Very high96.8Very high103 Ų10370.2 Ų70.245%0.44836%0.359SS..THydrogen-bonded Turntrans-64.6126.5-175.6-179.4159.7-176.9159.10111R13 E15 W36R13-K34 HydrophobicContact CB-CB 4.04Å; R13-K34 HydrophobicContact CB-CD 4.48Å; R13-K34 VanDerWaalsContact O-CB 3.26Å; R13-K34 WeakPolarHBondContact O-CB 3.47Å; R13-K34 PolarHBondContact O-N 3.31Å; E15-K34 HydrophobicContact CB-CB 4.3Å; K34-W36 VanDerWaalsContact O-CD1 3.26Å
35N96.4Very high97Very high121 Ų12168.4 Ų68.465%0.64734%0.335SS*.THydrogen-bonded Turntrans67.828.5-176.7-49.8-1.5000114.6W33W33-N35 PolarHBondContact O-N 3.07Å
36W95.8Very high97.2Very high123 Ų12366.2 Ų66.247%0.46631%0.312SS..SBendtrans-123.4155.4171.4-61.384.8000112K32 W33 K34 H40K32-W36 PolarHBondContact NZ-O 3.05Å; W33-W36 HydrophobicContact CB-CB 4.14Å; W33-W36 HydrophobicContact CB-CG 4.05Å; W33-W36 PolarHBondContact O-N 2.89Å; W33-W36 VanDerWaalsContact O-N 3.16Å; K34-W36 VanDerWaalsContact O-CD1 3.26Å; W36-H40 HydrophobicContact CB-CB 4.13Å; W36-H40 HydrophobicContact CE3-CB 4.49Å; W36-H40 AromaticContact CE3-CD2 3.59Å; W36-H40 AromaticContact CE3-CG 3.92Å; W36-H40 AromaticContact CE3-NE2 3.82Å
37S97Very high97.1Very high49 Ų4965.9 Ų65.934%0.34332%0.315SS..  trans-66.6161.2172.368.80000111.8E39 H40S37-E39 PolarHBondContact O-N 3.42Å; S37-H40 PolarHBondContact O-N 2.97Å; S37-H40 VanDerWaalsContact O-N 3.13Å; S37-H40 PolarHBondContact OG-CD2 3.42Å
38D96.3Very high97Very high102 Ų10268.1 Ų68.155%0.54533%0.326SS..G310 helixtrans-66.7-16.8179.3-65.5-55.3000114.1K32 H40 N41K32-D38 VanDerWaalsContact CD-OD1 3.25Å; K32-D38 WeakPolarHBondContact CD-OD1 3.44Å; K32-D38 WeakPolarHBondContact CE-OD1 3.42Å; K32-D38 VanDerWaalsContact NZ-CG 3.31Å; K32-D38 IonicContact NZ-OD1 3.78Å; K32-D38 PolarHBondContact NZ-OD1 3.25Å; K32-D38 IonicContact NZ-OD2 3.21Å; K32-D38 PolarHBondContact NZ-OD2 3.43Å; D38-H40 PolarHBondContact O-N 2.89Å; D38-N41 WeakPolarHBondContact CA-ND2 3.49Å; D38-N41 WeakPolarHBondContact O-CB 3.26Å; D38-N41 VanDerWaalsContact O-CG 3.22Å; D38-N41 PolarHBondContact O-N 3.42Å; D38-N41 PolarHBondContact O-ND2 2.97Å; D38-N41 PolarHBondContact OD1-ND2 3.47Å
39E97.3Very high97Very high178 Ų17868.2 Ų68.283%0.83233%0.327SS*.G310 helixtrans-64.8-22.5173.6-54.617914300112.3S37S37-E39 PolarHBondContact O-N 3.42Å
40H96.9Very high96.9Very high92 Ų9274.4 Ų74.443%0.42636%0.359SS..G310 helixtrans-91.90.5177.2-62-63.7000113.9W33 W36 S37 D38 T42W33-H40 VanDerWaalsContact CD1-O 3.26Å; W36-H40 HydrophobicContact CB-CB 4.13Å; W36-H40 HydrophobicContact CE3-CB 4.49Å; W36-H40 AromaticContact CE3-CD2 3.59Å; W36-H40 AromaticContact CE3-CG 3.92Å; W36-H40 AromaticContact CE3-NE2 3.82Å; S37-H40 PolarHBondContact O-N 2.97Å; S37-H40 VanDerWaalsContact O-N 3.13Å; S37-H40 PolarHBondContact OG-CD2 3.42Å; D38-H40 PolarHBondContact O-N 2.89Å; H40-T42 PolarHBondContact O-N 2.75Å; H40-T42 VanDerWaalsContact O-N 3.16Å
41N97.6Very high96.7Very high27 Ų2775.4 Ų75.414%0.14437%0.365CS..  trans-66.2114.8-176.4-66.1-13.1000110.8L30 V31 K32 D38L30-N41 HydrophobicContact CD1-CB 3.73Å; L30-N41 WeakPolarHBondContact CD1-O 3.21Å; L30-N41 HydrophobicContact CG-CB 4.16Å; V31-N41 WeakPolarHBondContact O-CA 3.24Å; V31-N41 VanDerWaalsContact O-CB 3.28Å; V31-N41 WeakPolarHBondContact O-CB 3.31Å; V31-N41 PolarHBondContact O-OD1 2.95Å; K32-N41 WeakPolarHBondContact CA-OD1 3.34Å; K32-N41 WeakPolarHBondContact CD-OD1 3.41Å; D38-N41 WeakPolarHBondContact CA-ND2 3.49Å; D38-N41 WeakPolarHBondContact O-CB 3.26Å; D38-N41 VanDerWaalsContact O-CG 3.22Å; D38-N41 PolarHBondContact O-N 3.42Å; D38-N41 PolarHBondContact O-ND2 2.97Å; D38-N41 PolarHBondContact OD1-ND2 3.47Å
42T97.4Very high96.6Very high55 Ų5583 Ų8334%0.33740%0.398SS..EExtended strand (participates in β ladder)trans-100.4157.2-17858.50000112.6L30 V31 W33 H40 E44L30-T42 WeakPolarHBondContact CA-O 3.31Å; V31-T42 PolarHBondContact N-O 3.02Å; W33-T42 WeakPolarHBondContact CZ2-OG1 3.38Å; W33-T42 PolarHBondContact NE1-OG1 2.72Å; H40-T42 PolarHBondContact O-N 2.75Å; H40-T42 VanDerWaalsContact O-N 3.16Å; T42-E44 WeakPolarHBondContact CB-OE1 3.48Å; T42-E44 PolarHBondContact OG1-OE1 3.35Å
43W97.7Very high96.6Very high85 Ų8590.1 Ų90.132%0.32242%0.424SS..EExtended strand (participates in β ladder)trans-92.597.8174.4-75.895.1000110.3R21 E28 Y29 L30R21-W43 HydrophobicContact CB-CE3 4.38Å; R21-W43 HydrophobicContact CB-CH2 3.88Å; R21-W43 HydrophobicContact CB-CZ3 3.73Å; R21-W43 HydrophobicContact CG-CD2 4.23Å; R21-W43 HydrophobicContact CG-CE3 3.6Å; R21-W43 HydrophobicContact CG-CH2 3.96Å; R21-W43 HydrophobicContact CG-CZ3 3.47Å; R21-W43 VanDerWaalsContact CG-CZ3 3.47Å; E28-W43 HydrophobicContact CB-CE3 4.12Å; E28-W43 WeakPolarHBondContact O-CZ3 3.31Å; Y29-W43 VanDerWaalsContact C-CE3 3.44Å; Y29-W43 CarbonylContact O-C 2.92Å; Y29-W43 WeakPolarHBondContact O-CA 3.48Å; L30-W43 HydrophobicContact CB-CD2 3.99Å; L30-W43 HydrophobicContact CB-CE3 3.94Å; L30-W43 HydrophobicContact CB-CH2 3.8Å; L30-W43 HydrophobicContact CB-CZ2 3.85Å; L30-W43 HydrophobicContact CB-CZ3 3.83Å; L30-W43 HydrophobicContact CD1-CD2 4.24Å; L30-W43 HydrophobicContact CD1-CG 4.28Å; L30-W43 HydrophobicContact CD2-CZ2 4.15Å; L30-W43 HydrophobicContact CG-CZ2 4.41Å; L30-W43 VanDerWaalsContact N-CE3 3.35Å
44E96.9Very high96.6Very high40 Ų4089.8 Ų89.819%0.18743%0.425CS..EExtended strand (participates in β ladder)trans-91137.9178.2-62.3-52.2131.600110.8E28 Y29 V31 W33 T42 N48 I49E28-E44 CarbonylContact C-O 3.57Å; E28-E44 VanDerWaalsContact CA-O 3.24Å; E28-E44 WeakPolarHBondContact CA-O 3.34Å; Y29-E44 PolarHBondContact N-O 3.05Å; Y29-E44 PolarHBondContact O-N 3.35Å; V31-E44 HydrophobicContact CB-CG 4.34Å; V31-E44 HydrophobicContact CG2-CB 3.8Å; V31-E44 HydrophobicContact CG2-CG 3.57Å; W33-E44 HydrophobicContact CH2-CG 4.07Å; W33-E44 HydrophobicContact CZ2-CG 3.76Å; T42-E44 WeakPolarHBondContact CB-OE1 3.48Å; T42-E44 PolarHBondContact OG1-OE1 3.35Å; E44-N48 HydrophobicContact CB-CB 4.16Å; E44-N48 PolarHBondContact OE2-ND2 3.09Å; E44-I49 HydrophobicContact CB-CD1 4.01Å
45P96.9Very high96.7Very high31 Ų3186 Ų8620%0.20141%0.41CS..EExtended strand (participates in β ladder)trans-64.4150.4171.330.3-35.9000110.5V27 K47 N48V27-P45 WeakPolarHBondContact O-CA 3.44Å; P45-K47 HydrophobicContact CB-CG 4.25Å; P45-K47 HydrophobicContact CG-CG 4.2Å; P45-K47 PolarHBondContact O-N 3.15Å; P45-N48 HydrophobicContact CG-CB 4.27Å; P45-N48 WeakPolarHBondContact O-CB 3.44Å; P45-N48 PolarHBondContact O-N 2.65Å
46E96.7Very high96.7Very high72 Ų7284.8 Ų84.834%0.33640%0.4SS..G310 helixtrans-48-39.6-177.6-177.4150.9-116.600113.9V27 Y29 N48 I49 I55V27-E46 HydrophobicContact CB-CB 4.09Å; V27-E46 WeakPolarHBondContact CB-OE2 3.39Å; V27-E46 HydrophobicContact CG1-CB 4.21Å; V27-E46 PolarHBondContact O-N 3.45Å; Y29-E46 HydrophobicContact CD2-CB 4.32Å; Y29-E46 HydrophobicContact CE2-CB 3.83Å; Y29-E46 HydrophobicContact CE2-CG 3.78Å; Y29-E46 VanDerWaalsContact CE2-OE1 3.23Å; Y29-E46 WeakPolarHBondContact CE2-OE1 3.39Å; Y29-E46 PolarHBondContact OH-OE1 3.41Å; E46-N48 PolarHBondContact O-N 2.64Å; E46-I49 PolarHBondContact O-N 3.25Å; E46-I55 HydrophobicContact CG-CD1 4.06Å
47K95.6Very high96.8Very high175 Ų17581.1 Ų81.176%0.76139%0.393SS*.G310 helixtrans-64.1-15.5177.166.1157.6-165.7159.50115.9P45P45-K47 HydrophobicContact CB-CG 4.25Å; P45-K47 HydrophobicContact CG-CG 4.2Å; P45-K47 PolarHBondContact O-N 3.15Å
48N95.7Very high96.9Very high75 Ų7579.1 Ų79.140%0.40138%0.378SS..G310 helixtrans-86.5-12.7175.4-72.115.7000111.7E44 P45 E46 L50E44-N48 HydrophobicContact CB-CB 4.16Å; E44-N48 PolarHBondContact OE2-ND2 3.09Å; P45-N48 HydrophobicContact CG-CB 4.27Å; P45-N48 WeakPolarHBondContact O-CB 3.44Å; P45-N48 PolarHBondContact O-N 2.65Å; E46-N48 PolarHBondContact O-N 2.64Å; N48-L50 PolarHBondContact O-N 3.02Å
49I96.7Very high96.9Very high13 Ų1378.4 Ų78.47%0.06737%0.372CS..  trans-87.686-178.8-48.5-56000109.4L17 Y29 V31 E44 E46 D51 L54 I55L17-I49 HydrophobicContact CD1-CG2 4.39Å; L17-I49 HydrophobicContact CD2-CD1 4.06Å; Y29-I49 HydrophobicContact CD2-CG1 4.15Å; V31-I49 HydrophobicContact CG2-CD1 3.7Å; E44-I49 HydrophobicContact CB-CD1 4.01Å; E46-I49 PolarHBondContact O-N 3.25Å; I49-D51 VanDerWaalsContact C-N 3.33Å; I49-D51 PolarHBondContact O-N 3.06Å; I49-L54 HydrophobicContact CG2-CB 4.06Å; I49-L54 HydrophobicContact CG2-CD1 4.15Å; I49-I55 HydrophobicContact CB-CD1 4.2Å; I49-I55 HydrophobicContact CB-CG1 4.32Å; I49-I55 HydrophobicContact CG2-CD1 4.27Å; I49-I55 HydrophobicContact CG2-CG1 3.93Å
50L95.5Very high96.9Very high129 Ų12976 Ų7668%0.67536%0.355SS*.  trans-62.2-34.8-173.4-55.8-178000113.8V11 N48V11-L50 HydrophobicContact CB-CD1 4.49Å; V11-L50 HydrophobicContact CG1-CD1 3.9Å; V11-L50 HydrophobicContact CG2-CD1 3.74Å; N48-L50 PolarHBondContact O-N 3.02Å
51D95.5Very high96.9Very high54 Ų5476.6 Ų76.629%0.28935%0.354SS..  trans-93101.4177.1-171.5-14.4000111I49 R53 L54I49-D51 VanDerWaalsContact C-N 3.33Å; I49-D51 PolarHBondContact O-N 3.06Å; D51-R53 PolarHBondContact O-N 2.94Å; D51-R53 VanDerWaalsContact O-N 3.08Å; D51-R53 WeakPolarHBondContact OD1-CB 3.33Å; D51-R53 VanDerWaalsContact OD1-CG 3.31Å; D51-R53 WeakPolarHBondContact OD1-CG 3.28Å; D51-R53 IonicContact OD1-CZ 3.99Å; D51-R53 PolarHBondContact OD1-N 2.84Å; D51-R53 IonicContact OD1-NE 2.78Å; D51-R53 PolarHBondContact OD1-NE 3.02Å; D51-R53 IonicContact OD1-NH2 3.47Å; D51-R53 IonicContact OD2-CZ 2.75Å; D51-R53 IonicContact OD2-NE 2.67Å; D51-R53 PolarHBondContact OD2-NE 2.94Å; D51-R53 IonicContact OD2-NH2 3.05Å; D51-R53 PolarHBondContact OD2-NH2 2.98Å; D51-L54 HydrophobicContact CB-CD1 4Å; D51-L54 HydrophobicContact CB-CG 4.15Å; D51-L54 VanDerWaalsContact O-CB 3.29Å; D51-L54 WeakPolarHBondContact O-CB 3.4Å; D51-L54 PolarHBondContact O-N 3.12Å
52K96.2Very high96.9Very high159 Ų15977.6 Ų77.669%0.69136%0.357SS*.Hα-helixtrans-55.4-25.8178.6-65.2-178.7-179.51770113.5L54 I55 E56K52-L54 PolarHBondContact O-N 2.93Å; K52-I55 WeakPolarHBondContact O-CB 3.25Å; K52-I55 PolarHBondContact O-N 3.5Å; K52-E56 PolarHBondContact O-N 2.97Å
53R97.2Very high96.9Very high170 Ų17083 Ų8364%0.64238%0.376SS*.Hα-helixtrans-65.8-24.9178.6-55.5172.6-64.1-177.23.4112D51 S57D51-R53 PolarHBondContact O-N 2.94Å; D51-R53 VanDerWaalsContact O-N 3.08Å; D51-R53 WeakPolarHBondContact OD1-CB 3.33Å; D51-R53 VanDerWaalsContact OD1-CG 3.31Å; D51-R53 WeakPolarHBondContact OD1-CG 3.28Å; D51-R53 IonicContact OD1-CZ 3.99Å; D51-R53 PolarHBondContact OD1-N 2.84Å; D51-R53 IonicContact OD1-NE 2.78Å; D51-R53 PolarHBondContact OD1-NE 3.02Å; D51-R53 IonicContact OD1-NH2 3.47Å; D51-R53 IonicContact OD2-CZ 2.75Å; D51-R53 IonicContact OD2-NE 2.67Å; D51-R53 PolarHBondContact OD2-NE 2.94Å; D51-R53 IonicContact OD2-NH2 3.05Å; D51-R53 PolarHBondContact OD2-NH2 2.98Å; R53-S57 WeakPolarHBondContact O-CB 3.26Å; R53-S57 PolarHBondContact O-N 3.47Å; R53-S57 PolarHBondContact O-OG 2.92Å
54L97.5Very high96.8Very high33 Ų3387.8 Ų87.817%0.17339%0.394CS..Hα-helixtrans-66.5-40.9171.6-64.5171.4000111.3V14 L17 I49 D51 K52 S57 F58V14-L54 HydrophobicContact CB-CD1 3.8Å; V14-L54 HydrophobicContact CG1-CD1 3.84Å; V14-L54 HydrophobicContact CG1-CD2 4.23Å; V14-L54 HydrophobicContact CG2-CD1 4.2Å; L17-L54 HydrophobicContact CD1-CB 4.14Å; L17-L54 WeakPolarHBondContact CD1-O 3.5Å; L17-L54 HydrophobicContact CG-CB 4.09Å; I49-L54 HydrophobicContact CG2-CB 4.06Å; I49-L54 HydrophobicContact CG2-CD1 4.15Å; D51-L54 HydrophobicContact CB-CD1 4Å; D51-L54 HydrophobicContact CB-CG 4.15Å; D51-L54 VanDerWaalsContact O-CB 3.29Å; D51-L54 WeakPolarHBondContact O-CB 3.4Å; D51-L54 PolarHBondContact O-N 3.12Å; K52-L54 PolarHBondContact O-N 2.93Å; L54-S57 PolarHBondContact O-OG 2.82Å; L54-F58 VanDerWaalsContact O-CB 3.28Å; L54-F58 WeakPolarHBondContact O-CB 3.26Å; L54-F58 PolarHBondContact O-N 2.86Å
55I97.9Very high96.8Very high24 Ų2490.3 Ų90.312%0.12340%0.404CS..Hα-helixtrans-66.7-53.5174.8-61.1173.3000109.6L17 Y29 E46 I49 K52 S57 F58 E59L17-I55 HydrophobicContact CD1-CG1 4.07Å; Y29-I55 HydrophobicContact CE1-CG2 4.31Å; Y29-I55 HydrophobicContact CE2-CD1 4.15Å; Y29-I55 HydrophobicContact CE2-CG1 4.13Å; Y29-I55 VanDerWaalsContact OH-CG2 3.31Å; Y29-I55 WeakPolarHBondContact OH-CG2 3.42Å; E46-I55 HydrophobicContact CG-CD1 4.06Å; I49-I55 HydrophobicContact CB-CD1 4.2Å; I49-I55 HydrophobicContact CB-CG1 4.32Å; I49-I55 HydrophobicContact CG2-CD1 4.27Å; I49-I55 HydrophobicContact CG2-CG1 3.93Å; K52-I55 WeakPolarHBondContact O-CB 3.25Å; K52-I55 PolarHBondContact O-N 3.5Å; I55-S57 PolarHBondContact O-N 3.14Å; I55-F58 WeakPolarHBondContact O-CB 3.33Å; I55-F58 PolarHBondContact O-N 3.42Å; I55-F58 VanDerWaalsContact O-N 3.16Å; I55-E59 HydrophobicContact CG2-CG 4.22Å; I55-E59 WeakPolarHBondContact O-CG 3.33Å; I55-E59 PolarHBondContact O-N 2.85Å
56E97.6Very high96.7Very high95 Ų9594.7 Ų94.744%0.44442%0.42SS..Hα-helixtrans-56.8-47.2-179.4-73.4-179.9-138.400113.1K52 F58 E59 R60K52-E56 PolarHBondContact O-N 2.97Å; E56-F58 VanDerWaalsContact C-N 3.28Å; E56-F58 PolarHBondContact O-N 3.31Å; E56-E59 PolarHBondContact O-N 3.37Å; E56-R60 WeakPolarHBondContact O-CB 3.38Å; E56-R60 PolarHBondContact O-N 3.39Å; E56-R60 IonicContact OE2-CZ 3.76Å; E56-R60 IonicContact OE2-NH2 3.55Å; E56-R60 PolarHBondContact OE2-NH2 3.07Å
57S97.1Very high96.7Very high45 Ų4593.4 Ų93.432%0.31542%0.422SS..Hα-helixtrans-66.8-32.1-178.759.80000111.9R53 L54 I55 R61R53-S57 WeakPolarHBondContact O-CB 3.26Å; R53-S57 PolarHBondContact O-N 3.47Å; R53-S57 PolarHBondContact O-OG 2.92Å; L54-S57 PolarHBondContact O-OG 2.82Å; I55-S57 PolarHBondContact O-N 3.14Å; S57-R61 VanDerWaalsContact O-CB 3.26Å; S57-R61 WeakPolarHBondContact O-CB 3.28Å; S57-R61 PolarHBondContact O-N 3.49Å
58F98Very high96.7Very high7 Ų790.1 Ų90.13%0.03141%0.409CS..Hα-helixtrans-68.4-51.4170.5172-93.9000112.2L17 G19 K20 Y29 L54 I55 E56 R60 R61 E62L17-F58 HydrophobicContact CB-CB 3.97Å; L17-F58 HydrophobicContact CB-CD2 3.99Å; L17-F58 HydrophobicContact CB-CG 4Å; L17-F58 HydrophobicContact CD1-CB 4.25Å; L17-F58 WeakPolarHBondContact O-CD2 3.41Å; G19-F58 VanDerWaalsContact C-CZ 3.46Å; K20-F58 HydrophobicContact CB-CE1 3.49Å; K20-F58 VanDerWaalsContact CB-CE1 3.49Å; K20-F58 HydrophobicContact CB-CZ 3.81Å; K20-F58 HydrophobicContact CD-CE1 4.31Å; Y29-F58 HydrophobicContact CD1-CD1 4.11Å; Y29-F58 HydrophobicContact CD1-CE1 4.25Å; Y29-F58 AromaticContact CE1-CD1 3.9Å; Y29-F58 HydrophobicContact CE1-CD1 3.9Å; Y29-F58 HydrophobicContact CE1-CE1 4.13Å; L54-F58 VanDerWaalsContact O-CB 3.28Å; L54-F58 WeakPolarHBondContact O-CB 3.26Å; L54-F58 PolarHBondContact O-N 2.86Å; I55-F58 WeakPolarHBondContact O-CB 3.33Å; I55-F58 PolarHBondContact O-N 3.42Å; I55-F58 VanDerWaalsContact O-N 3.16Å; E56-F58 VanDerWaalsContact C-N 3.28Å; E56-F58 PolarHBondContact O-N 3.31Å; F58-R60 VanDerWaalsContact C-N 3.33Å; F58-R60 PolarHBondContact O-N 3.01Å; F58-R61 CarbonylContact O-C 3.56Å; F58-R61 WeakPolarHBondContact O-CA 3.33Å; F58-R61 VanDerWaalsContact O-CB 3.32Å; F58-R61 WeakPolarHBondContact O-CB 3.13Å; F58-R61 PolarHBondContact O-N 3.44Å; F58-E62 HydrophobicContact CD1-CG 4.27Å; F58-E62 HydrophobicContact CD2-CG 4.26Å; F58-E62 HydrophobicContact CE1-CG 3.65Å; F58-E62 HydrophobicContact CE2-CG 3.65Å; F58-E62 HydrophobicContact CZ-CG 3.31Å; F58-E62 PolarHBondContact O-N 2.94Å
59E97.5Very high96.7Very high88 Ų8892.4 Ų92.441%0.41142%0.417SS..Hα-helixtrans-65.9-36.4-178.2-65.8-154.5130.400112.5K20 I55 E56 R61 E62 K63K20-E59 IonicContact NZ-OE1 2.73Å; K20-E59 PolarHBondContact NZ-OE1 3.29Å; I55-E59 HydrophobicContact CG2-CG 4.22Å; I55-E59 WeakPolarHBondContact O-CG 3.33Å; I55-E59 PolarHBondContact O-N 2.85Å; E56-E59 PolarHBondContact O-N 3.37Å; E59-R61 VanDerWaalsContact C-N 3.29Å; E59-R61 PolarHBondContact O-N 3.09Å; E59-E62 PolarHBondContact O-N 2.67Å; E59-K63 WeakPolarHBondContact O-CB 3.37Å; E59-K63 PolarHBondContact O-N 3.13Å
60R97.6Very high96.6Very high128 Ų12897.9 Ų97.948%0.48344%0.443SS..Hα-helixtrans-62.2-35.6171.6-168.6179.8-62.31294.6111.7E56 F58 R64E56-R60 WeakPolarHBondContact O-CB 3.38Å; E56-R60 PolarHBondContact O-N 3.39Å; E56-R60 IonicContact OE2-CZ 3.76Å; E56-R60 IonicContact OE2-NH2 3.55Å; E56-R60 PolarHBondContact OE2-NH2 3.07Å; F58-R60 VanDerWaalsContact C-N 3.33Å; F58-R60 PolarHBondContact O-N 3.01Å; R60-R64 VanDerWaalsContact O-CG 3.31Å; R60-R64 WeakPolarHBondContact O-CG 3.32Å; R60-R64 PolarHBondContact O-N 3.31Å
61R97.3Very high96.5Very high104 Ų10496.9 Ų96.939%0.39244%0.438SS..Hα-helixtrans-71.6-45.4174.3-172.1-170.1-61164.7-3.1111.6L17 S57 F58 E59 R64 K65L17-R61 PolarHBondContact O-NH1 3.46Å; S57-R61 VanDerWaalsContact O-CB 3.26Å; S57-R61 WeakPolarHBondContact O-CB 3.28Å; S57-R61 PolarHBondContact O-N 3.49Å; F58-R61 CarbonylContact O-C 3.56Å; F58-R61 WeakPolarHBondContact O-CA 3.33Å; F58-R61 VanDerWaalsContact O-CB 3.32Å; F58-R61 WeakPolarHBondContact O-CB 3.13Å; F58-R61 PolarHBondContact O-N 3.44Å; E59-R61 VanDerWaalsContact C-N 3.29Å; E59-R61 PolarHBondContact O-N 3.09Å; R61-R64 PolarHBondContact O-N 3.45Å; R61-K65 WeakPolarHBondContact O-CG 3.45Å; R61-K65 PolarHBondContact O-N 3.37Å
62E96.8Very high96.5Very high48 Ų4897.5 Ų97.522%0.22444%0.441CS..Hα-helixtrans-67.2-39.3178.1-68.2-51113.200112.8F58 E59 R64 K65 K66F58-E62 HydrophobicContact CD1-CG 4.27Å; F58-E62 HydrophobicContact CD2-CG 4.26Å; F58-E62 HydrophobicContact CE1-CG 3.65Å; F58-E62 HydrophobicContact CE2-CG 3.65Å; F58-E62 HydrophobicContact CZ-CG 3.31Å; F58-E62 PolarHBondContact O-N 2.94Å; E59-E62 PolarHBondContact O-N 2.67Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 2.99Å; E62-K65 PolarHBondContact O-N 3.36Å; E62-K65 WeakPolarHBondContact OE1-CD 3.37Å; E62-K65 VanDerWaalsContact OE1-CE 3.31Å; E62-K65 WeakPolarHBondContact OE1-CE 3.45Å; E62-K65 IonicContact OE1-NZ 2.81Å; E62-K65 PolarHBondContact OE1-NZ 3.32Å; E62-K65 IonicContact OE2-NZ 2.85Å; E62-K66 WeakPolarHBondContact O-CG 3.43Å; E62-K66 PolarHBondContact O-N 2.99Å
63K96.5Very high96.3Very high167 Ų16792.9 Ų92.973%0.72643%0.428SS*.Hα-helixtrans-60.8-41.2174.6-171.9172.8-178.6176.80111.4E59 K66 A67E59-K63 WeakPolarHBondContact O-CB 3.37Å; E59-K63 PolarHBondContact O-N 3.13Å; K63-K66 PolarHBondContact O-N 3.19Å; K63-A67 PolarHBondContact O-N 3.5Å; K63-A67 VanDerWaalsContact O-N 3.09Å
64R96.9Very high96Very high186 Ų18690.4 Ų90.470%0.70242%0.424SS*.Hα-helixtrans-64-44.7173.7-73.8173.5176.8-176.7-1.8112.2R60 R61 E62 K66 A67 Q68R60-R64 VanDerWaalsContact O-CG 3.31Å; R60-R64 WeakPolarHBondContact O-CG 3.32Å; R60-R64 PolarHBondContact O-N 3.31Å; R61-R64 PolarHBondContact O-N 3.45Å; E62-R64 VanDerWaalsContact C-N 3.31Å; E62-R64 PolarHBondContact O-N 2.99Å; R64-K66 PolarHBondContact O-N 3.21Å; R64-A67 PolarHBondContact O-N 3.16Å; R64-Q68 PolarHBondContact O-N 3.3Å
65K96.2Very high95.4Very high93 Ų9395.2 Ų95.240%0.40445%0.445SS..Hα-helixtrans-58.3-44.9175.1-73.1179-173.9169.20112.3R61 E62 Q68 Q69R61-K65 WeakPolarHBondContact O-CG 3.45Å; R61-K65 PolarHBondContact O-N 3.37Å; E62-K65 PolarHBondContact O-N 3.36Å; E62-K65 WeakPolarHBondContact OE1-CD 3.37Å; E62-K65 VanDerWaalsContact OE1-CE 3.31Å; E62-K65 WeakPolarHBondContact OE1-CE 3.45Å; E62-K65 IonicContact OE1-NZ 2.81Å; E62-K65 PolarHBondContact OE1-NZ 3.32Å; E62-K65 IonicContact OE2-NZ 2.85Å; K65-Q68 PolarHBondContact O-N 2.95Å; K65-Q69 VanDerWaalsContact O-CG 3.31Å; K65-Q69 WeakPolarHBondContact O-CG 3.28Å; K65-Q69 PolarHBondContact O-N 3.34Å
66K95.8Very high94.8Very high124 Ų124101.8 Ų101.854%0.53947%0.469SS..Hα-helixtrans-63.2-49.9179.8-73178.1179.7-175.70111.8E62 K63 R64 Q68 Q69 E70E62-K66 WeakPolarHBondContact O-CG 3.43Å; E62-K66 PolarHBondContact O-N 2.99Å; K63-K66 PolarHBondContact O-N 3.19Å; R64-K66 PolarHBondContact O-N 3.21Å; K66-Q68 VanDerWaalsContact C-N 3.28Å; K66-Q68 PolarHBondContact O-N 2.78Å; K66-Q69 CarbonylContact O-C 3.46Å; K66-Q69 WeakPolarHBondContact O-CA 3.22Å; K66-Q69 WeakPolarHBondContact O-CB 3.45Å; K66-Q69 PolarHBondContact O-N 3.42Å; K66-E70 WeakPolarHBondContact O-CG 3.07Å; K66-E70 PolarHBondContact O-N 3.43Å
67A95.9Very high94.4Very high44 Ų44100.1 Ų100.136%0.36447%0.468SS..Hα-helixtrans-56.5-41.517600000112.3K63 R64 E70 L71K63-A67 PolarHBondContact O-N 3.5Å; K63-A67 VanDerWaalsContact O-N 3.09Å; R64-A67 PolarHBondContact O-N 3.16Å; A67-E70 PolarHBondContact O-N 3.25Å; A67-L71 WeakPolarHBondContact O-CG 3.49Å; A67-L71 PolarHBondContact O-N 2.85Å
68Q95.6Very high93.7Very high106 Ų106102.6 Ų102.650%0.49548%0.477SS..Hα-helixtrans-67.7-37.3175.4-164.266.55900112.6R64 K65 K66 E70 N72R64-Q68 PolarHBondContact O-N 3.3Å; K65-Q68 PolarHBondContact O-N 2.95Å; K66-Q68 VanDerWaalsContact C-N 3.28Å; K66-Q68 PolarHBondContact O-N 2.78Å; Q68-E70 VanDerWaalsContact C-N 3.34Å; Q68-N72 PolarHBondContact NE2-OD1 2.85Å; Q68-N72 VanDerWaalsContact O-CB 3.26Å; Q68-N72 WeakPolarHBondContact O-CB 3.21Å; Q68-N72 PolarHBondContact O-N 2.56Å; Q68-N72 PolarHBondContact O-OD1 3.02Å
69Q95.4Very high92.8Very high123 Ų123105.3 Ų105.358%0.57550%0.496SS*.Hα-helixtrans-67-35.5174.9-74.2173.57.200112.2K65 K66 S73K65-Q69 VanDerWaalsContact O-CG 3.31Å; K65-Q69 WeakPolarHBondContact O-CG 3.28Å; K65-Q69 PolarHBondContact O-N 3.34Å; K66-Q69 CarbonylContact O-C 3.46Å; K66-Q69 WeakPolarHBondContact O-CA 3.22Å; K66-Q69 WeakPolarHBondContact O-CB 3.45Å; K66-Q69 PolarHBondContact O-N 3.42Å; Q69-S73 VanDerWaalsContact O-CB 3.24Å; Q69-S73 WeakPolarHBondContact O-CB 3.26Å; Q69-S73 PolarHBondContact O-N 3.36Å; Q69-S73 PolarHBondContact O-OG 3.35Å
70E94.8Very high91.8Very high129 Ų129104 Ų10460%0.60350%0.501SS*.Hα-helixtrans-67-49.7175-73.5157.7-175.200110.8K66 A67 Q68 N72 S73 H74K66-E70 WeakPolarHBondContact O-CG 3.07Å; K66-E70 PolarHBondContact O-N 3.43Å; A67-E70 PolarHBondContact O-N 3.25Å; Q68-E70 VanDerWaalsContact C-N 3.34Å; E70-N72 PolarHBondContact O-N 2.85Å; E70-S73 PolarHBondContact O-N 3.04Å; E70-H74 PolarHBondContact O-N 2.85Å
71L94.4Very high90.5Very high108 Ų108103 Ų10357%0.56550%0.502SS*.Hα-helixtrans-56-52.9173.3-70.7171.4000111.9A67 S73 H74 E75A67-L71 WeakPolarHBondContact O-CG 3.49Å; A67-L71 PolarHBondContact O-N 2.85Å; L71-S73 PolarHBondContact O-N 3.39Å; L71-S73 VanDerWaalsContact O-N 3.09Å; L71-H74 PolarHBondContact O-N 3.44Å; L71-H74 VanDerWaalsContact O-N 3.12Å; L71-E75 PolarHBondContact O-N 3.17Å
72N93.5Very high89Confident67 Ų67101.8 Ų101.836%0.35851%0.509SS..Hα-helixtrans-66.7-10.6178.8-66.425.3000112.9Q68 E70 R76Q68-N72 PolarHBondContact NE2-OD1 2.85Å; Q68-N72 VanDerWaalsContact O-CB 3.26Å; Q68-N72 WeakPolarHBondContact O-CB 3.21Å; Q68-N72 PolarHBondContact O-N 2.56Å; Q68-N72 PolarHBondContact O-OD1 3.02Å; E70-N72 PolarHBondContact O-N 2.85Å; N72-R76 PolarHBondContact O-NE 2.8Å; N72-R76 PolarHBondContact O-NH2 3.35Å
73S93.5Very high87.3Confident61 Ų61107.2 Ų107.243%0.42753%0.534SS..Hα-helixtrans-95.2-36.6172.4-60.50000111.3Q69 E70 L71 R76 S77Q69-S73 VanDerWaalsContact O-CB 3.24Å; Q69-S73 WeakPolarHBondContact O-CB 3.26Å; Q69-S73 PolarHBondContact O-N 3.36Å; Q69-S73 PolarHBondContact O-OG 3.35Å; E70-S73 PolarHBondContact O-N 3.04Å; L71-S73 PolarHBondContact O-N 3.39Å; L71-S73 VanDerWaalsContact O-N 3.09Å; S73-R76 PolarHBondContact O-N 2.87Å; S73-S77 PolarHBondContact O-N 3.16Å
74H90.4Very high85.5Confident119 Ų119108.3 Ų108.355%0.55153%0.534SS*.Hα-helixtrans-65.4-44.7174.6-166.843.6000111.4E70 L71 R76 S77 I78E70-H74 PolarHBondContact O-N 2.85Å; L71-H74 PolarHBondContact O-N 3.44Å; L71-H74 VanDerWaalsContact O-N 3.12Å; H74-R76 VanDerWaalsContact C-N 3.31Å; H74-R76 PolarHBondContact O-N 2.86Å; H74-S77 WeakPolarHBondContact CA-OG 3.24Å; H74-S77 PolarHBondContact ND1-OG 2.92Å; H74-S77 WeakPolarHBondContact O-CA 3.38Å; H74-S77 WeakPolarHBondContact O-CB 3.49Å; H74-S77 PolarHBondContact O-N 3.19Å; H74-S77 PolarHBondContact O-OG 2.83Å; H74-I78 WeakPolarHBondContact O-CG1 3.48Å; H74-I78 PolarHBondContact O-N 2.73Å
75E85.3Confident83.6Confident133 Ų133103.8 Ų103.862%0.62153%0.53SS*.Hα-helixtrans-57.3-41.9173.4-173.6-176.3-167.500112.3L71 S77 I78 S79L71-E75 PolarHBondContact O-N 3.17Å; E75-S77 VanDerWaalsContact C-N 3.32Å; E75-S77 PolarHBondContact O-N 3.43Å; E75-I78 PolarHBondContact O-N 2.91Å; E75-S79 WeakPolarHBondContact O-CB 3.37Å; E75-S79 PolarHBondContact O-N 3.36Å; E75-S79 PolarHBondContact O-OG 3.02Å
76R85.4Confident81.7Confident162 Ų162103.8 Ų103.861%0.61154%0.542SS*.Hα-helixtrans-68.2-27.4173.5-84.7-179.3-69.6167.34.7113.4N72 S73 H74 S79 A80N72-R76 PolarHBondContact O-NE 2.8Å; N72-R76 PolarHBondContact O-NH2 3.35Å; S73-R76 PolarHBondContact O-N 2.87Å; H74-R76 VanDerWaalsContact C-N 3.31Å; H74-R76 PolarHBondContact O-N 2.86Å; R76-S79 WeakPolarHBondContact CA-OG 3.39Å; R76-S79 PolarHBondContact O-OG 3.16Å; R76-A80 WeakPolarHBondContact O-CB 3.44Å; R76-A80 PolarHBondContact O-N 3.48Å
77S88.4Confident79.8Confident61 Ų61103.8 Ų103.843%0.42756%0.555SS.*Hα-helixtrans-74.6-41.7172.873.10000112.4S73 H74 E75 A80 E81S73-S77 PolarHBondContact O-N 3.16Å; H74-S77 WeakPolarHBondContact CA-OG 3.24Å; H74-S77 PolarHBondContact ND1-OG 2.92Å; H74-S77 WeakPolarHBondContact O-CA 3.38Å; H74-S77 WeakPolarHBondContact O-CB 3.49Å; H74-S77 PolarHBondContact O-N 3.19Å; H74-S77 PolarHBondContact O-OG 2.83Å; E75-S77 VanDerWaalsContact C-N 3.32Å; E75-S77 PolarHBondContact O-N 3.43Å; S77-A80 PolarHBondContact O-N 2.92Å; S77-E81 PolarHBondContact O-N 3.12Å
78I82.9Confident77.5Confident97 Ų97109.8 Ų109.850%0.49758%0.58SS.*Hα-helixtrans-66.2-47.5178.5-66.3164.2000110.5H74 E75 A80 E81 S82H74-I78 WeakPolarHBondContact O-CG1 3.48Å; H74-I78 PolarHBondContact O-N 2.73Å; E75-I78 PolarHBondContact O-N 2.91Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 2.78Å; I78-E81 PolarHBondContact O-N 2.83Å; I78-S82 WeakPolarHBondContact O-CB 3.42Å; I78-S82 PolarHBondContact O-N 3.32Å
79S79.4Confident75Confident63 Ų63112.6 Ų112.644%0.44160%0.598SS.*Hα-helixtrans-65.5-32.5178.250.40000113.1E75 R76E75-S79 WeakPolarHBondContact O-CB 3.37Å; E75-S79 PolarHBondContact O-N 3.36Å; E75-S79 PolarHBondContact O-OG 3.02Å; R76-S79 WeakPolarHBondContact CA-OG 3.39Å; R76-S79 PolarHBondContact O-OG 3.16Å
80A76.6Confident73.1Confident62 Ų62112 Ų11251%0.51261%0.607SS.*Hα-helixtrans-69.9-39173.900000113.1R76 S77 I78R76-A80 WeakPolarHBondContact O-CB 3.44Å; R76-A80 PolarHBondContact O-N 3.48Å; S77-A80 PolarHBondContact O-N 2.92Å; I78-A80 VanDerWaalsContact C-N 3.32Å; I78-A80 PolarHBondContact O-N 2.78Å
81E69.3Low71Confident107 Ų107110.8 Ų110.850%0.561%0.611SS.*Hα-helixtrans-80-32.3-179.8-161.558.2-150.400112.1S77 I78 Q83 R84 S85S77-E81 PolarHBondContact O-N 3.12Å; I78-E81 PolarHBondContact O-N 2.83Å; E81-Q83 PolarHBondContact O-N 2.74Å; E81-Q83 VanDerWaalsContact O-N 3.16Å; E81-R84 WeakPolarHBondContact O-CB 3.29Å; E81-R84 PolarHBondContact O-N 2.93Å; E81-R84 WeakPolarHBondContact OE2-CD 3.31Å; E81-R84 IonicContact OE2-CZ 3.87Å; E81-R84 IonicContact OE2-NH1 3.31Å; E81-R84 PolarHBondContact OE2-NH1 2.84Å; E81-S85 PolarHBondContact O-N 2.7Å
82S65.7Low68.6Low77 Ų77112.4 Ų112.454%0.53862%0.62SS.*Hα-helixtrans-60.1-25173.4-174.70000113.4I78 R84 S85I78-S82 WeakPolarHBondContact O-CB 3.42Å; I78-S82 PolarHBondContact O-N 3.32Å; S82-R84 VanDerWaalsContact C-N 3.33Å; S82-S85 PolarHBondContact O-OG 2.79Å
83Q60.9Low66.1Low163 Ų163118.4 Ų118.476%0.76264%0.643SS**THydrogen-bonded Turntrans-84.91.2173.2-68.2-161.2-2.900114.3E81E81-Q83 PolarHBondContact O-N 2.74Å; E81-Q83 VanDerWaalsContact O-N 3.16Å
84R59.5Low63.4Low190 Ų190123 Ų12372%0.71766%0.658SS**THydrogen-bonded Turntrans-97.6-30.3170.5-77.7173.7160.5170.9-4.9113.4E81 S82 S86E81-R84 WeakPolarHBondContact O-CB 3.29Å; E81-R84 PolarHBondContact O-N 2.93Å; E81-R84 WeakPolarHBondContact OE2-CD 3.31Å; E81-R84 IonicContact OE2-CZ 3.87Å; E81-R84 IonicContact OE2-NH1 3.31Å; E81-R84 PolarHBondContact OE2-NH1 2.84Å; S82-R84 VanDerWaalsContact C-N 3.33Å; R84-S86 VanDerWaalsContact C-N 3.29Å; R84-S86 PolarHBondContact O-N 2.65Å
85S56.4Low60.9Low90 Ų90127.4 Ų127.463%0.62967%0.671SS**  trans-83.965.2178.958.80000112.2E81 S82E81-S85 PolarHBondContact O-N 2.7Å; S82-S85 PolarHBondContact O-OG 2.79Å
86S56.2Low58.8Low93 Ų93125.9 Ų125.965%0.6567%0.667SS**  trans-115.8116.9165.3-68.70000109.1R84R84-S86 VanDerWaalsContact C-N 3.29Å; R84-S86 PolarHBondContact O-N 2.65Å
87P56.6Low56.5Low124 Ų124128.5 Ų128.581%0.80568%0.678SS**PPolyproline II helixtrans-69.7152.7-178.729.3-34.5000111.6
88L47Very low54.3Low170 Ų170133 Ų13389%0.8969%0.693SS**PPolyproline II helixtrans-72.4151.7178.4-7588.9000112
89N44.4Very low51.8Low166 Ų166136.3 Ų136.389%0.88871%0.705SS**PPolyproline II helixtrans-58.7138.6168.9-69.2-29.3000112.3
90S54.1Low49.9Very low109 Ų109140 Ų14076%0.76272%0.72SS**  trans-134.3125.414059.90000108.2
91P50.5Low48Very low104 Ų104143.1 Ų143.168%0.67573%0.728SS**  trans-73.5-175.117034.4-35.7000111
92D44.8Very low46.6Very low143 Ų143145.2 Ų145.277%0.76574%0.741SS**  trans67.695.6168-53.1-27.4000117.7
93K40.6Very low45.2Very low192 Ų192146.2 Ų146.284%0.83575%0.748SS**  -158.2116.299.3-103.6158-171.9176.40113.2
94H37Very low44.1Very low158 Ų158144.9 Ų144.973%0.73174%0.74SS**  trans-77.8128.5163.5-169.6-81.1000108.3
95Y38.4Very low42.9Very low212 Ų212140.8 Ų140.883%0.83174%0.74SS**  trans-136.9120157.5-98.6-73.6000108.9
96D41Very low42Very low101 Ų101145.2 Ų145.254%0.5475%0.748SS.*  trans-97.5143.2176.3-160.3-18.8000108
97Y37Very low40.9Very low216 Ų216148.6 Ų148.685%0.84775%0.754SS**  trans-175.298153.3-110.5-66.9000111.6
98H41.8Very low39.7Very low157 Ų157148.3 Ų148.373%0.72775%0.745SS**  trans28.3150.8141.6-67.8-84.2000124
99H31.7Very low39.3Very low166 Ų166146.8 Ų146.877%0.76974%0.743SS**  trans-64.6154.8167.2-67.8-138.9000112.6
100D39.6Very low38.7Very low140 Ų140143.4 Ų143.475%0.74973%0.733SS**  -177.5119.9102.4-98.2-40.5000116
101N35.8Very low37.5Very low128 Ų128147 Ų14768%0.68474%0.74SS**  48.8136.3129.7-77.9-53000126.3
102I39.2Very low36.7Very low151 Ų151149.1 Ų149.177%0.77474%0.744SS**  trans99.9116.3134-76.4168.1000123.8
103S37.4Very low36.3Very low98 Ų98149.2 Ų149.269%0.68575%0.749SS**  trans54.8110.8146.873.20000126.4
104K37Very low35.9Very low134 Ų134144.7 Ų144.758%0.58374%0.742SS**  38.1111.2115-76.1164.2172.7153.20122N206 D207K104-N206 PolarHBondContact NZ-O 2.7Å; K104-D207 WeakPolarHBondContact CE-OD2 3.19Å; K104-D207 IonicContact NZ-OD2 2.7Å; K104-D207 PolarHBondContact NZ-OD2 2.9Å
105S35.6Very low36.3Very low104 Ų104142.6 Ų142.673%0.72774%0.743SS**  41.3147.2119.272.60000122
106K36Very low36.1Very low184 Ų184139 Ų13980%0.873%0.734SS**  cis-168.7-171.810.9-135.1179.6-178.8-179.60111.3
107E32.9Very low35.8Very low164 Ų164142.8 Ų142.877%0.76674%0.74SS**  trans88.2149.7161.7-56.1-134.7111.400119
108N33Very low35.7Very low117 Ų117138.4 Ų138.463%0.62674%0.735SS**  cis-171.5176.4-38.7-104.2-23.9000109.4
109V37.6Very low35.2Very low138 Ų138137.3 Ų137.384%0.83673%0.734SS**  trans72.8133.7165.7-170.80000116.3
110S31.9Very low35.1Very low96 Ų96134.7 Ų134.767%0.67173%0.733SS**  cis-162.5160.7-22.258.40000111.1
111M28.2Very low34.9Very low185 Ų185133 Ų13391%0.91173%0.732SS**  trans-149.3125.5156.4-103.9-69.2-166.600108
112I34.8Very low34.7Very low148 Ų148139.6 Ų139.676%0.75975%0.747SS**  trans-141.3128.7177.2-63.4176.5000108.7
113T36.7Very low34.4Very low144 Ų144135.3 Ų135.388%0.88374%0.74SS**  trans-149.1143.5146.619.50000109.6
114S32.4Very low34.3Very low97 Ų97137.2 Ų137.268%0.67875%0.748SS**  trans-125.8178.3-179.9-1640000109
115P44.9Very low34.3Very low115 Ų115137.4 Ų137.475%0.74775%0.754SS**  -134.2147100.112.99.4000112.8
116E33.9Very low34.1Very low137 Ų137140 Ų14064%0.6476%0.755SS**  64.7136.369.5-80.9-151120.900115.8
117R33.9Very low33.8Very low179 Ų179137.1 Ų137.168%0.67576%0.756SS**  cis-124.6-125.32.8-151.6172.1-74.5131.36.9112.4
118V34.6Very low33.8Very low124 Ų124137.5 Ų137.575%0.75276%0.758SS**  cis-147.4163.18.3-162.50000110.5
119I32.8Very low34.2Very low135 Ų135137.3 Ų137.369%0.69277%0.766SS**  trans-76.3143.6177.8-63.5152.9000111.2
120C28.2Very low34.5Very low110 Ų110136.2 Ų136.274%0.74376%0.762SS**  cis89.5140.426.2-61.60000115.9
121S35.2Very low34.6Very low106 Ų106138.7 Ų138.774%0.74177%0.766SS**  cis-168.2172.7-13.6-87.30000110.6
122R32.2Very low35.2Very low265 Ų265137.2 Ų137.2100%177%0.767SS**  trans75.9145.9-175.9-61.4171.6153.5136.5-8.8115.5
123G33.7Very low35Very low61 Ų61137.3 Ų137.363%0.62977%0.768SS**  cis154.3148.4-7.100000112.5
124T34.8Very low34.9Very low138 Ų138135.1 Ų135.185%0.84776%0.759SS**  trans60.3148.817153.90000117.8
125I37.1Very low35.1Very low138 Ų138139.2 Ų139.271%0.70876%0.764SS**  cis-155.6154-4.7-116.7163.2000109.5
126E31.2Very low34.9Very low160 Ų160140 Ų14075%0.74877%0.767SS**  trans27.7126.6154.9-58.5175.3155.800121.9
127C29.6Very low34.6Very low123 Ų123140.7 Ų140.783%0.83178%0.775SS**  72.7147.186.3-55.10000114.6
128E32.2Very low35.1Very low171 Ų171137.5 Ų137.580%0.79978%0.777SS**  cis-133.4-161.120.1-61.3-177.3123.800113.9
129S41.4Very low35.2Very low113 Ų113138.3 Ų138.379%0.7978%0.776SS**  trans-157.5150.2-178.8-53.30000113.8
130P45.1Very low35.1Very low115 Ų115139.3 Ų139.375%0.74778%0.782SS**  trans-132.5125.8158.131.4-14.6000114
131I33.9Very low35.3Very low149 Ų149138.8 Ų138.876%0.76478%0.779SS**  81.7115.484.7-65.6158.4000115.8
132V40.7Very low35.4Very low153 Ų153138.3 Ų138.393%0.92778%0.776SS**  trans-140158.2142.2-179.70000107.8
133L30.9Very low35.4Very low150 Ų150135 Ų13579%0.78577%0.769SS**  trans-118.9161.3-150.6-167.968.7000115.8
134S34.5Very low35.3Very low98 Ų98139.6 Ų139.669%0.68578%0.779SS**  trans99.4143.1149.783.10000118.3
135K37.2Very low35.1Very low184 Ų184140.9 Ų140.980%0.878%0.78SS**  cis-158.5157.84.3-132.8168.3-174.1176.50113.7
136T39.2Very low34.9Very low130 Ų130141.1 Ų141.180%0.79879%0.789SS**  trans65.990.5156.345.50000122.7
137D28.2Very low34.9Very low152 Ų152137.3 Ų137.381%0.81379%0.785SS**  -50.9175.7129.9-81.4-58.2000113.5
138P43.6Very low35Very low112 Ų112135.9 Ų135.973%0.72778%0.781SS**  cis-162.4-167.349.544.5-19.2000121.4
139I37.3Very low35Very low142 Ų142133.1 Ų133.173%0.72878%0.776SS**  trans84.998.7164.9-62.3165.6000114.9
140L31.5Very low34.6Very low156 Ų156133.4 Ų133.482%0.81778%0.778SS**  69.9140.181.9-89.777.6000114.1
141S32.5Very low34.1Very low98 Ų98132.4 Ų132.469%0.68578%0.78SS**  cis-168.9-176.3-0.554.30000111.2
142S36.1Very low34.2Very low96 Ų96134.6 Ų134.667%0.67178%0.784SS**  trans74.7123146.7176.80000118.6
143F32.5Very low34Very low195 Ų195131.6 Ų131.686%0.85577%0.766SS**  cis-153149.1-11.9-119.5-66.4000110.6
144L32.5Very low34.2Very low158 Ų158131.9 Ų131.983%0.82777%0.766SS**PPolyproline II helixtrans-85.4167.4170.6-78.8160.6000111.6
145N31.1Very low34.2Very low165 Ų165130.7 Ų130.788%0.88276%0.757SS**PPolyproline II helixtrans-65.4151.1159.3-92.8-12.9000110.8
146T32.4Very low34.2Very low144 Ų144128.7 Ų128.788%0.88376%0.755SS**PPolyproline II helixtrans-72.8126.2-170.7-48.20000114.5
147A31Very low34.1Very low80 Ų80130.4 Ų130.466%0.66175%0.752SS**  trans-157.1151.2141.100000108.3
148A31.4Very low34.5Very low92 Ų92128.4 Ų128.476%0.7674%0.741SS**  trans-150129.1178.900000111.5
149T32.9Very low34.2Very low113 Ų113127 Ų12769%0.69373%0.734SS**  trans-174.3130143.925.90000110.1
150S32.6Very low34.1Very low119 Ų119127.3 Ų127.383%0.83274%0.737SS**  trans-170.1149.6143.1-1610000109.5
151A35.1Very low34.2Very low94 Ų94126 Ų12678%0.77773%0.731SS**  trans-150.1136.9178.800000111.8
152K36Very low34.3Very low196 Ų196126.9 Ų126.985%0.85273%0.732SS**  trans-169.3156.1176.1-101.1-149.4170.4-172.70108.8
153V36.6Very low34.3Very low90 Ų90128.7 Ų128.755%0.54573%0.733SS.*  cis-167.1170.3-18.181.20000108.7
154I34.9Very low34.4Very low155 Ų155127.8 Ų127.880%0.79573%0.728SS**  trans175.1116142.8-90.4151.3000105.3
155C34.9Very low34.5Very low74 Ų74126.4 Ų126.450%0.572%0.722SS.*  cis82.8132.247.9-63.80000112.5
156N35.7Very low34.9Very low142 Ų142125.4 Ų125.476%0.75972%0.715SS**  cis-134.8-156.5-1.3-64.1-69.4000108.7
157K37.5Very low35.2Very low165 Ų165123.6 Ų123.672%0.71771%0.706SS**  cis-162.8-166.2-3-137.7165.5168.9-76.30105.7
158D35.9Very low35.4Very low111 Ų111127.8 Ų127.859%0.59472%0.715SS**  cis-160.4174.33.1-141.9-22.9000113.5
159S37.9Very low35.5Very low83 Ų83128 Ų12858%0.5871%0.711SS**  trans52.1113146.169.40000123.8
160D35.2Very low35.5Very low147 Ų147127.1 Ų127.179%0.78671%0.71SS**  58.6144.3113.2-63.710000121.9
161N34.8Very low35.4Very low129 Ų129127.3 Ų127.369%0.6971%0.709SS**  cis-164.9161.9-2.4-132.6-43000113.5
162V34.5Very low35.3Very low117 Ų117128.5 Ų128.571%0.70971%0.712SS**  trans34.2125.4161.9-140.90000120
163I34.3Very low35.5Very low134 Ų134124.5 Ų124.569%0.68771%0.706SS**  -179.4132.395.3-92.9175.8000113.2
164K34.9Very low35.3Very low176 Ų176127.7 Ų127.777%0.76572%0.72SS**  trans48.4132.5152.1-67.3173.3-166.2171.80119.2
165N36Very low35.2Very low128 Ų128128.4 Ų128.468%0.68473%0.725SS**  cis-169143.840.4-109.9-16.2000112.4
166I39Very low35.1Very low144 Ų144129 Ų12974%0.73873%0.73SS**  trans53.4137.1130.6-62.3172.3000119.2
167P38.7Very low35Very low107 Ų107129.8 Ų129.870%0.69573%0.732SS**  cis-136.7-168.524.428.2-2.6000117
168I35.1Very low34.9Very low168 Ų168126.8 Ų126.886%0.86272%0.724SS**  trans83119.6161.3-40.8-173.5000116.8
169S33.6Very low35.3Very low95 Ų95126.8 Ų126.866%0.66473%0.73SS**  trans-118.1168.4176.861.10000111.6
170S33.1Very low34.9Very low96 Ų96130.2 Ų130.267%0.67174%0.739SS**  trans58.2116.7144.458.90000120.4
171C30.3Very low34.7Very low122 Ų122130.2 Ų130.282%0.82474%0.744SS**  trans84.9133.5150-58.50000119.6
172S33.3Very low34.6Very low119 Ų119129.6 Ų129.683%0.83275%0.75SS**  trans70.8128167.4-57.20000118.1
173P38.8Very low34.5Very low113 Ų113132 Ų13273%0.73476%0.759SS**  trans-100.5157.7-177.338.2-34.9000115.4
174N32.9Very low34.3Very low156 Ų156130.3 Ų130.383%0.83476%0.759SS**  trans72.1107.6155.7-61.4-8.4000120.8
175L32.3Very low34.3Very low170 Ų170127.9 Ų127.989%0.8976%0.764SS**  trans-140.1150.7145.6-71.4173.4000105.6
176S32.6Very low34.1Very low87 Ų87128 Ų12861%0.60877%0.77SS**  cis-138.3175.3-2.1-1030000107.2
177I35.1Very low33.7Very low158 Ų158131.6 Ų131.681%0.8177%0.774SS**  cis-142.211841.1-66.4170.3000110.6
178D34.8Very low33.5Very low103 Ų103132.4 Ų132.455%0.55178%0.777SS**  trans37.4161.1134-69.1-63.8000124.8
179P44.7Very low33.7Very low111 Ų111130.5 Ų130.572%0.72177%0.773SS**  cis-124.7141.2-5.313.710.5000116.3
180M29.3Very low34.1Very low154 Ų154130.6 Ų130.676%0.75977%0.772SS**  trans57.796.1138.6-55.6-59.9160.100119.8
181T30.3Very low34.2Very low147 Ų147133 Ų13390%0.90278%0.777SS**  trans-127.7130.6149.754.10000110.1
182S34Very low34.4Very low116 Ų116131.5 Ų131.581%0.81177%0.768SS**  trans-138.386.7-178.446.10000112.3
183N31.2Very low34.5Very low167 Ų167133.2 Ų133.289%0.89377%0.767SS**  trans-95.4147.5156.5-79.5-32.5000107.8
184S31.3Very low34.4Very low100 Ų100132.5 Ų132.570%0.69976%0.764SS**  cis-165.9166.7-3.754.80000109.5
185S33.6Very low34.6Very low124 Ų124130.4 Ų130.487%0.86776%0.762SS**  trans-152.5133.6147.7-84.30000111.3
186T32.8Very low35.4Very low130 Ų130127.9 Ų127.980%0.79876%0.756SS**  trans-80171.1176.556.10000109.9
187R30.3Very low35.5Very low221 Ų221130.1 Ų130.183%0.83477%0.765SS**  -179.1143.652.6-146.6178.3159.3-150.3-1.5105
188T34.9Very low35.3Very low124 Ų124129.2 Ų129.276%0.76176%0.762SS**  -176175.368.322.20000111.5
189T37.8Very low35.4Very low127 Ų127130.7 Ų130.778%0.77977%0.768SS**  trans-99-174.3-172.749.50000114.7
190P43.7Very low34.8Very low98 Ų98133.5 Ų133.564%0.63677%0.772SS**  cis-139-158.2-41.236-14.2000114.1
191N34.6Very low35.1Very low145 Ų145130.8 Ų130.878%0.77577%0.768SS**  trans79.9150.5157.6-64.3-6.2000119.4
192S34.4Very low35.1Very low92 Ų92130.3 Ų130.364%0.64376%0.76SS**  cis-173.9167.3-13.7-92.90000113.9
193I35.4Very low35Very low155 Ų155130.6 Ų130.680%0.79575%0.753SS**  trans89.3132.6149-73.4149.3000123.6
194S35.7Very low35Very low98 Ų98128.5 Ų128.569%0.68574%0.741SS**  trans57.9130.4160.859.90000121.1
195S38.2Very low35Very low111 Ų111130 Ų13078%0.77674%0.742SS**  cis85.5155.510.8-39.70000117.6
196P48.3Very low34.8Very low118 Ų118130 Ų13077%0.76673%0.732SS**  cis-145.2168.1-45.540.2-24.5000115.5
197V35Very low34.8Very low134 Ų134129.9 Ų129.981%0.81273%0.726SS**  trans-151.3128.9147173.10000110.9
198N31.7Very low34.8Very low138 Ų138127.4 Ų127.474%0.73873%0.729SS**  trans10.6144.4152.8-60.3-2.5000121.7
199I37Very low34.8Very low134 Ų134126.8 Ų126.869%0.68773%0.729SS**  cis-152.7145.71.1-111.2158.4000110.3
200E32.3Very low34.6Very low170 Ų170129.5 Ų129.579%0.79473%0.73SS**  trans1154.8157.1-52.6176.7142.700122.2
201S33.6Very low34Very low97 Ų97130.2 Ų130.268%0.67873%0.728SS**  cis-174.4132.6-19.3-95.50000111.6
202N30.8Very low34Very low137 Ų137131.3 Ų131.373%0.73372%0.722SS**  29.3152.5119.6-67-10.1000122
203N31.9Very low34.1Very low122 Ų122135.9 Ų135.965%0.65273%0.725SS**  cis-169.7158.3-16-112.9-23.3000112.7
204N31.1Very low34.1Very low123 Ų123135.9 Ų135.966%0.65872%0.719SS**  trans17.9126.5143.3-55.9-26000123.2
205N30.8Very low34.2Very low133 Ų133140.7 Ų140.771%0.71172%0.722SS**  59.3126.1127.8-59.3-12.5000123.7
206N31.3Very low34.1Very low122 Ų122145.2 Ų145.265%0.65272%0.722SS**  trans65.2105.8141.7-57-4.8000120.2K104K104-N206 PolarHBondContact NZ-O 2.7Å
207D31.3Very low33.6Very low128 Ų128145 Ų14568%0.68472%0.719SS**  -176.6165.595.6-85.1-34.4000112.4K104K104-D207 WeakPolarHBondContact CE-OD2 3.19Å; K104-D207 IonicContact NZ-OD2 2.7Å; K104-D207 PolarHBondContact NZ-OD2 2.9Å
208L31.5Very low33.7Very low169 Ų169144.3 Ų144.389%0.88572%0.715SS**  trans-145.2163.2173.6-89.8177.7000112
209C34.4Very low33.6Very low112 Ų112145.1 Ų145.176%0.75772%0.719SS**  trans95.1138.7177.3-54.30000115.2
210F32.7Very low33.4Very low184 Ų184145.3 Ų145.381%0.80772%0.72SS**  cis-167.2137.2-13.1-134.9-67.4000111.2
211D32.3Very low33.3Very low113 Ų113143.7 Ų143.760%0.60472%0.722SS**  trans167.7151.8142.3-101.6-26.5000109.8
212R35.2Very low33.2Very low168 Ų168143.7 Ų143.763%0.63473%0.728SS**  cis-155.8122.910.3-140.2155.3-134.8-171.819.5113.9
213R36.4Very low33.2Very low188 Ų188141.2 Ų141.271%0.70973%0.726SS**  trans70.9154.3156.3-56.3160.3-166.1-175.68.5116.9
214F35Very low33.2Very low155 Ų155139.6 Ų139.668%0.6873%0.73SS**  cis-136121.218.5-122.2-80.7000114.9
215R38.5Very low33Very low198 Ų198140.5 Ų140.575%0.74775%0.746SS**  trans62.6108.9151.9-76.9179.9-176.4172.22.7123.2
216R36Very low32.9Very low207 Ų207138.2 Ų138.278%0.78175%0.746SS**  100.193.5116.2-87.4-172.6170.6158.4-1.6122.5
217T37Very low32.9Very low114 Ų114138.2 Ų138.270%0.69976%0.755SS**  70.287.7118.554.10000121.8
218T36.9Very low32.9Very low118 Ų118136.9 Ų136.972%0.72476%0.762SS**  60.2105.9102.6-50.20000121.4
219L30.6Very low32.7Very low155 Ų155133.3 Ų133.381%0.81276%0.757SS**  trans60159.4141.7-58.2173.3000118.9
220L30.8Very low32.7Very low138 Ų138135.7 Ų135.772%0.72376%0.762SS**  cis-148.4131.88.2-162.6143000110.9
221V32Very low32.6Very low136 Ų136132 Ų13282%0.82477%0.765SS**  trans-143.2128.2161.9179.30000110
222A30.4Very low32.4Very low97 Ų97131.6 Ų131.680%0.80278%0.778SS**  trans-135.582168.500000109.8
223A30.6Very low32.1Very low85 Ų85128.3 Ų128.370%0.70279%0.787SS**  trans-162.4155.9170.300000111.7
224A31.7Very low31.7Very low89 Ų89123.8 Ų123.874%0.73679%0.789SS**  trans62.776.416200000119A226A224-A226 PolarHBondContact O-N 2.91Å
225S28.3Very low31.5Very low141 Ų141124.6 Ų124.699%0.98680%0.8SS**  trans-70.275.2151.6-60.30000110.6
226A28.9Very low31.1Very low86 Ų86119 Ų11971%0.71180%0.796SS**  trans-142.266.4-175.200000112.7A224A224-A226 PolarHBondContact O-N 2.91Å
227S29.4Very low30.9Very low121 Ų121118.1 Ų118.185%0.84680%0.8SS**  trans-153.5123.1168.8-174.40000112.3
228A31.6Very low30.6Very low100 Ų100117.8 Ų117.883%0.82680%0.803SS**  -178.4101.9121.800000110.4
229A28.6Very low30.4Very low94 Ų94123.2 Ų123.278%0.77781%0.81SS**  trans-146.581167.200000110.3
230N34.7Very low30.5Very low163 Ų163122.9 Ų122.987%0.87281%0.808SS**  trans-16696.3166.3-107.5-27.1000113.2
231A29.8Very low30.7Very low106 Ų106122.4 Ų122.488%0.87682%0.815SS**  trans-168.7136.3143.300000108.2
232A28.8Very low30.7Very low105 Ų105119 Ų11987%0.86881%0.808SS**  trans-151.2136-17800000112.3
233A29Very low30.7Very low99 Ų99126 Ų12682%0.81881%0.814SS**  trans168.9151133.100000112.3
234A27.3Very low30.6Very low93 Ų93130.2 Ų130.277%0.76982%0.819SS**  trans44.9106.2156.600000117.6
235L31.2Very low30.8Very low172 Ų172131.2 Ų131.290%0.90182%0.816SS**  -152.9156.871.9-101161000112.6
236A29.6Very low30.8Very low81 Ų81131.9 Ų131.967%0.66980%0.803SS**  trans-126.5132.917200000109.4
237H31.4Very low30.9Very low188 Ų188135.4 Ų135.487%0.8781%0.805SS**  trans-171.1137.9150.5-102.3-71.8000110
238S30.7Very low31Very low107 Ų107134.7 Ų134.775%0.74880%0.796SS**  trans63.5141.2176.1-86.10000116.7
239R32.5Very low31.1Very low231 Ų231135.5 Ų135.587%0.87279%0.791SS**  cis-130.5148.9-2.7-51.4176.7176.7157.4-2106.8
240I34Very low31.3Very low149 Ų149137.3 Ų137.376%0.76479%0.788SS**  cis67106.638-61.4-176.7000113.9
241S33.2Very low31.2Very low127 Ų127136.3 Ų136.389%0.88878%0.78SS**  trans54.4156.3170-66.50000117.5
242G33.8Very low31.5Very low65 Ų65136.5 Ų136.567%0.6777%0.771SS**  cis-161175.7-8.900000106.4
243R28.6Very low31.7Very low245 Ų245138.8 Ų138.893%0.92576%0.764SS**  cis49.370.614.7-146.8-176.2-155.4-151.86.6115.3
244Q30.1Very low31.9Very low173 Ų173139.2 Ų139.281%0.80876%0.756SS**  -171.7164.3117.4-105167.5-2000113.6
245T34.5Very low32.1Very low110 Ų110142.1 Ų142.168%0.67575%0.754SS**  trans49105.2154.350.30000120.5
246Q29.9Very low32.2Very low154 Ų154140.1 Ų140.172%0.7274%0.744SS**  45.1126.8108.1-74.6177.5-34.100120.3
247Q29.9Very low32.3Very low161 Ų161141.5 Ų141.575%0.75275%0.749SS**  trans70.1156.1131.5-65.2-173.4-19.700117.9
248T31.5Very low32.5Very low106 Ų106141.4 Ų141.465%0.6575%0.749SS**  cis-151.9164.1-10.614.10000107.9
249T33.9Very low32.9Very low117 Ų117140.8 Ų140.872%0.71874%0.742SS**  165.4165.494.4420000107.2
250N31.9Very low32.9Very low132 Ų132136.3 Ų136.371%0.70674%0.74SS**  cis-156.3168.917.4-141.5-18.5000113.9
251I34.5Very low32.9Very low141 Ų141136.5 Ų136.572%0.72374%0.741SS**  trans74144.3162.5-65.2162.2000115.8
252T34.2Very low32.8Very low111 Ų111135.3 Ų135.368%0.68173%0.733SS**  cis-161.2-176.7-38.348.90000107
253H34.7Very low33.3Very low153 Ų153137.4 Ų137.471%0.70874%0.735SS**  cis-155.3-47.77.1-148.4-59.3000116.5
254T33Very low33.6Very low107 Ų107131.1 Ų131.166%0.65673%0.728SS**  trans-155.7149.9-157.745.50000110.8
255E31.6Very low33.9Very low154 Ų154130.5 Ų130.572%0.7273%0.729SS**  cis-161.8158.5-7.6-123.8177.6-144.800111.4
256N32.6Very low34Very low130 Ų130129.5 Ų129.570%0.69573%0.727SS**  trans60.4146.2152.1-64.9-35.5000124.6
257S32.6Very low34.2Very low111 Ų111129.2 Ų129.278%0.77673%0.73SS**  trans65.1107.8156.537.80000122.7
258Q34.3Very low34.2Very low185 Ų185129.9 Ų129.986%0.86474%0.736SS**  26.9161.3122.8-79.3-155.811.700123.1
259P39.9Very low34.3Very low95 Ų95132 Ų13262%0.61775%0.749SS**  cis-139.6-164.3-28.335.2-13.2000113.8
260V31.3Very low34.4Very low136 Ų136138.2 Ų138.282%0.82476%0.759SS**  trans63.4150.6169-112.40000116.1
261I34.3Very low34.2Very low153 Ų153139.3 Ų139.379%0.78577%0.765SS**  cis-128.4161.59.3-58.5176.7000111.4
262S31.6Very low34.1Very low102 Ų102140.9 Ų140.971%0.71377%0.771SS**  trans-70.4-173.717656.90000114
263P45.1Very low34Very low110 Ų110140.4 Ų140.471%0.71477%0.768SS**  cis-145.1171.112.944.3-25.2000119.5
264S33.5Very low33.8Very low112 Ų112139.3 Ų139.378%0.78377%0.772SS**  157.8153117.956.80000116.1
265L36.7Very low33.8Very low160 Ų160138.3 Ų138.384%0.83877%0.77SS**  trans70.981.9163.2-96.566000121.9
266S37.7Very low33.9Very low89 Ų89136.9 Ų136.962%0.62277%0.772SS**  58.7101120.465.80000122.2
267D32.4Very low34.1Very low148 Ų148135.8 Ų135.879%0.79177%0.77SS**  42.2116.6111.2-46.2-41.8000119.2
268M29.9Very low34.1Very low176 Ų176136 Ų13687%0.86777%0.767SS**  74.6120.463.2-74.5-145.9-173.600116.2
269T34.7Very low34Very low150 Ų150132.4 Ų132.492%0.9276%0.758SS**  trans-165.4112.11374.40000111.2
270R34.8Very low33.6Very low247 Ų247133.8 Ų133.893%0.93277%0.765SS**  trans-152.5144160.7-123.1-175.2-172.1-165.12.7109.5
271N29Very low33.8Very low156 Ų156132.7 Ų132.783%0.83476%0.758SS**  trans-58.4142.2-165.7-46.5-3.9000114.6
272M31.4Very low33.9Very low174 Ų174131.3 Ų131.386%0.85776%0.757SS**  trans169.3149.6144.1-83.1-111.9175.200108
273T33.3Very low34Very low100 Ų100130.9 Ų130.961%0.61375%0.754SS**  cis-170140.8-21.820.20000108.1
274T30.1Very low33.5Very low130 Ų130131.1 Ų131.180%0.79876%0.758SS**  trans56.2170.9155.258.50000117
275S33.5Very low33.7Very low86 Ų86130.6 Ų130.660%0.60176%0.755SS**  cis-144.8141.813.8-44.40000109.7
276T33.6Very low33.7Very low125 Ų125128.6 Ų128.677%0.76775%0.75SS**  63.9151.5111.373.20000116.3
277T35.7Very low33.9Very low107 Ų107131.2 Ų131.266%0.65676%0.755SS**  cis-163.2143.320.1-14.20000110.8
278T33.6Very low34Very low114 Ų114131 Ų13170%0.69975%0.754SS**  trans36.5147.8138.959.80000123
279T32.7Very low34.2Very low110 Ų110128.3 Ų128.368%0.67575%0.747SS**  cis-174.4157.1-5.522.30000109.2
280T30.6Very low34.2Very low125 Ų125126.4 Ų126.477%0.76774%0.736SS**  trans51.5131.1153.655.80000119
281T35.1Very low34.2Very low113 Ų113120.2 Ų120.269%0.69373%0.726SS**  -158.9171.650.250.20000112.4
282T37.4Very low34.5Very low124 Ų124118.1 Ų118.176%0.76172%0.719SS**  trans57.9139.3151.544.90000120.8
283S34Very low34.7Very low92 Ų92117.1 Ų117.164%0.64372%0.715SS**  cis178.6147.1-22.938.60000109.5
284S34.4Very low34.9Very low115 Ų115118.3 Ų118.380%0.80472%0.723SS**  trans64.2152.7173.215.20000115.5
285S38.2Very low35.1Very low102 Ų102117 Ų11771%0.71371%0.714SS**  cis-161.9155.13.240.60000107.9
286T36.6Very low35Very low118 Ų118121.3 Ų121.372%0.72472%0.722SS**  cis-1681638.55.40000110.7
287I40.1Very low34.9Very low143 Ų143122.2 Ų122.273%0.73372%0.723SS**  trans69.7126.4149.3-70.1161.6000116.9
288N36.5Very low34.9Very low143 Ų143123.5 Ų123.577%0.76573%0.73SS**  cis-151.8158.7-2.9-117.13.2000113.7
289T33Very low34.9Very low120 Ų120123.7 Ų123.774%0.73673%0.731SS**  trans-91.9-177.1165.256.60000110.1
290T35.1Very low34.9Very low111 Ų111125.6 Ų125.668%0.68174%0.737SS**  cis-162.4160.619.4-24.40000109.5
291T35.5Very low35Very low117 Ų117126.7 Ų126.772%0.71874%0.738SS**  trans24137.4151.148.10000120.9
292T35.3Very low35Very low112 Ų112130.1 Ų130.169%0.68775%0.747SS**  cis-170.215629.6-7.60000111.3
293I34.8Very low34.6Very low152 Ų152134.6 Ų134.678%0.77975%0.75SS**  trans66.3124.5158.5-61.4158.3000114.6
294T37Very low34.9Very low126 Ų126134.7 Ų134.777%0.77375%0.748SS**  cis-147.6170.421.6-21.80000112.3
295T34Very low34.9Very low101 Ų101138.1 Ų138.162%0.6275%0.749SS**  trans-66.3166168.853.80000113.6
296F32.4Very low34.6Very low177 Ų177141.5 Ų141.578%0.77676%0.757SS**  cis-151.6162.226.4-103.9-67.9000114.2
297N32.1Very low34.3Very low144 Ų144147.1 Ų147.177%0.7777%0.765SS**  trans-24.4144.7171.1-52.3-3.6000121
298V34.8Very low33.8Very low134 Ų134147.3 Ų147.381%0.81277%0.767SS**  trans-142.8134.2142.6-167.90000111.5
299T33.7Very low33.5Very low119 Ų119146.1 Ų146.173%0.7377%0.765SS**  trans121.4132.3157.761.60000117.2
300N33.3Very low33.5Very low149 Ų149147.9 Ų147.980%0.79777%0.768SS**  trans65.4142.5174.7-50.8-16.7000115.1
301D32.9Very low33.8Very low148 Ų148147.2 Ų147.279%0.79177%0.766SS**  cis-150.8-177.916.4-139.4-41.8000113.5
302E33.8Very low33.6Very low186 Ų186151.5 Ų151.587%0.86977%0.769SS**  trans77.3170.1162.8-71.4-133.99700122.4
303R30Very low33.3Very low217 Ų217151.8 Ų151.882%0.81977%0.766SS**  trans-114.6-168.3-156.2-129.7179174.1-172.54.2109.4
304P40.4Very low33.3Very low95 Ų95155.7 Ų155.762%0.61777%0.771SS**  cis-140.8175.8-1239.7-20.2000117.4
305K33.2Very low33.3Very low186 Ų186157.2 Ų157.281%0.80977%0.773SS**  trans42.2126.7142.1-66.9167.7-177.3174.40121.4
306I31.8Very low33.3Very low174 Ų174159.5 Ų159.589%0.89278%0.78SS**  trans-110.2130.2160.1-62.8173.4000110.7
307R31.3Very low33.8Very low235 Ų235157 Ų15789%0.88778%0.782SS**  trans-160.794.1163.9-153.1179.3-163.6-174.16.1115.3
308L29.4Very low33.9Very low148 Ų148155 Ų15578%0.77578%0.778SS**  trans57.3140.7148.4-66.8165.3000122.9
309T29.7Very low34.5Very low118 Ų118154.3 Ų154.372%0.72478%0.776SS**  trans70.396.5151440000122.8
310I34Very low35Very low157 Ų157153.5 Ų153.581%0.80577%0.773SS**  42.9139.496.1-61171.4000117.7
311P40.6Very low35.2Very low97 Ų97153 Ų15363%0.6378%0.775SS**  cis-142178.8-23.936.4-15000116.2
312R30.3Very low35.1Very low206 Ų206149 Ų14978%0.77777%0.769SS**  158.2127.4119-86.7-152.5141.792.86.3118.9
313D29.5Very low35.1Very low118 Ų118146.2 Ų146.263%0.63176%0.764SS**  52.3117.3125.2-45.4-5.5000123.6
314R35.6Very low35.2Very low234 Ų234141.1 Ų141.188%0.88376%0.762SS**  -161.9112.4129.3-98.6157-160.5-138.13107.8
315I35.4Very low35.1Very low159 Ų159140.9 Ų140.982%0.81576%0.763SS**  77.1125.583.9-68.8170000112.9
316L35.4Very low35.2Very low149 Ų149139.4 Ų139.478%0.7876%0.763SS**  trans-71.3165.2-177-63.8163.4000113.2
317P41.5Very low35.4Very low125 Ų125135.7 Ų135.781%0.81275%0.753SS**  -142.2158.4109.738.8-26.9000116.4
318C34.8Very low35.6Very low102 Ų102129.9 Ų129.969%0.68975%0.748SS**  trans-137.8-166.8167.3-42.90000108
319P47.8Very low35.8Very low119 Ų119128.4 Ų128.477%0.77375%0.749SS**  cis-133.9-3.6-16.838.7-22.9000121.5
320P44.9Very low35.9Very low102 Ų102129.9 Ų129.966%0.66275%0.753SS**  -119.6164.7-128.841.1-27.8000118.7
321V36.1Very low35.9Very low137 Ų137126.7 Ų126.783%0.8374%0.744SS**  trans75.7132.5166.6-161.50000116.1
322G31.7Very low35.6Very low65 Ų65130.4 Ų130.467%0.6775%0.753SS**  cis126.6161.23.600000112
323V34Very low35.6Very low127 Ų127127.2 Ų127.277%0.7775%0.752SS**  cis-161.7165.63.4-79.40000110.8
324S32.3Very low35.8Very low110 Ų110127.2 Ų127.277%0.76976%0.761SS**  trans72.6155.4154.9820000117.9
325S38.6Very low35.7Very low90 Ų90120.8 Ų120.863%0.62975%0.752SS**  cis-148.615013.2-64.40000113.8
326N34.1Very low35.6Very low155 Ų155121 Ų12183%0.82975%0.75SS**  trans60.9149.7140.4-64.3-0.2000121.9
327S37.3Very low35.3Very low96 Ų96121.1 Ų121.167%0.67175%0.75SS**  cis-170.7159.7-11.8460000113.4
328S34.1Very low34.8Very low113 Ų113120.6 Ų120.679%0.7975%0.745SS**  trans62.6151.6157.844.20000119
329C33.6Very low34.5Very low117 Ų117120.4 Ų120.479%0.79175%0.745SS**  cis-149.1156.5-5.543.40000108.5
330N31.6Very low33.6Very low149 Ų149119.4 Ų119.480%0.79774%0.74SS**  cis109.8138.314.8-161.935000114.8
331S34.4Very low32.8Very low90 Ų90119.1 Ų119.163%0.62974%0.74SS**  trans61.4106.9165.257.80000123.6
332Q34Very low32.5Very low175 Ų175119 Ų11982%0.81873%0.734SS**  66.5120.7118.4-67.6-176.7-11.600124.4
333N31.1Very low32.5Very low140 Ų140123.9 Ų123.975%0.74974%0.739SS**  51.1128.2126.1-59.6-0.4000123.2
334S33Very low32.3Very low118 Ų118124.4 Ų124.483%0.82574%0.738SS**  trans71.9137.4148-60.90000118.3
335S34Very low32.3Very low98 Ų98123.7 Ų123.769%0.68573%0.733SS**  cis-170.7164.6-651.10000112.4
336Q33.1Very low32Very low165 Ų165125.7 Ų125.777%0.77174%0.736SS**  trans82.1124.9162-61.3-171.92.300119.5
337L29Very low32.1Very low150 Ų150126.1 Ų126.179%0.78573%0.733SS**  49.3131.5123.2-53173.6000118.6
338T32Very low31.9Very low115 Ų115126.8 Ų126.871%0.70674%0.738SS**  cis-151166.821.649.60000113.7
339S28.5Very low31.8Very low98 Ų98127 Ų12769%0.68574%0.739SS**  trans62.1146140.659.80000123.2
340S29.1Very low31.6Very low97 Ų97130.9 Ų130.968%0.67874%0.743SS**  trans59.497.6144.457.80000120.3
341S27.6Very low32.1Very low96 Ų96130.1 Ų130.167%0.67174%0.738SS**  49.2133.3114.865.70000122.2
342I30.1Very low31.9Very low135 Ų135135 Ų13569%0.69275%0.751SS**  trans77.9129.4138.4-69.4166.7000117.4
343E30.7Very low31.8Very low167 Ų167134 Ų13478%0.7875%0.75SS**  trans65.4142.3157.9-75.5149.3-157.300121.5
344D31Very low31.8Very low138 Ų138133 Ų13374%0.73875%0.745SS**  trans66.4103136.4-68.318.4000122.9
345S32.1Very low31.7Very low95 Ų95132.8 Ų132.866%0.66474%0.739SS**  108.7137.7111.7-67.30000120.7
346D31.3Very low31.5Very low132 Ų132133.5 Ų133.571%0.70674%0.744SS**  trans64.3130.4143.7-74.2-31.2000121.3
347H37.2Very low31.5Very low165 Ų165132.7 Ų132.776%0.76474%0.744SS**  cis-133.9-167.9-15.1-41.5-77.8000107.7
348S32.8Very low31.8Very low110 Ų110132.5 Ų132.577%0.76974%0.737SS**  cis-163.5160.91.739.90000107
349S32.1Very low31.9Very low117 Ų117133.1 Ų133.182%0.81873%0.731SS**  cis-153.3149.1-21.549.20000107.1
350F30Very low32.1Very low198 Ų198134.3 Ų134.387%0.86873%0.73SS**  trans-93.8-166.8-166.5-151.5-116.1000114
351L40.4Very low32.5Very low133 Ų133136.9 Ų136.970%0.69674%0.737SS**  trans-66.4171-178.7-78.2127.7000114.9
352E30.9Very low33Very low193 Ų193137.1 Ų137.190%0.90274%0.738SS**  trans78.8151163.9-69.6-176.5113.800120.1
353L32.2Very low33.5Very low153 Ų153137.7 Ų137.780%0.80174%0.741SS**  trans-103.1158.5175.1-64.6159.9000106.8
354N30.2Very low33.7Very low121 Ų121134.7 Ų134.765%0.64774%0.738SS**  cis-157.8123.48.3-127-0.8000111.6
355T31.2Very low34.1Very low113 Ų113134.6 Ų134.669%0.69374%0.743SS**  51.3121.3123.762.40000123.6
356S30.4Very low34Very low112 Ų112133.6 Ų133.678%0.78374%0.74SS**  trans-174.9131.2147.9-88.80000107.9
357L32.7Very low34.2Very low149 Ų149133.7 Ų133.778%0.7875%0.746SS**  cis-152.4173.2-8.4-68.6174.5000105.8
358K34.6Very low34Very low145 Ų145134.3 Ų134.363%0.6375%0.746SS**  cis-166.41591.9-134171.5170.6-139.90109.7
359H35.8Very low34Very low128 Ų128134.5 Ų134.559%0.59374%0.743SS**  trans64.1144.1153-61.8-46.4000120.3
360D32.6Very low34Very low124 Ų124134.4 Ų134.466%0.66374%0.738SS**  cis-159.5173.7-15.9-110.8-3.6000111.5
361D36.5Very low34Very low151 Ų151130.6 Ų130.681%0.80773%0.731SS**  trans63.3127.8168.4-61.3-34.1000118.1
362S38.8Very low33.5Very low100 Ų100132.8 Ų132.870%0.69974%0.737SS**  cis-169.1-179.5-552.60000107.9
363I39.3Very low33.4Very low147 Ų147132.6 Ų132.675%0.75473%0.734SS**  cis-148.4142.88.4-30.9154.8000109.1
364S36.3Very low33.3Very low104 Ų104132.6 Ų132.673%0.72773%0.733SS**  trans65.3157.8157.280.60000120
365T39.7Very low33.9Very low136 Ų136131.7 Ų131.783%0.83474%0.743SS**  cis-167.5175.3-36.835.50000108.2
366A30Very low34.1Very low74 Ų74130.9 Ų130.961%0.61274%0.739SS**  176.7151-72.900000110.1
367T34.3Very low34Very low135 Ų135131.9 Ų131.983%0.82874%0.74SS**  trans69.5166.2169.486.50000115.5
368K34.3Very low34.1Very low177 Ų177132 Ų13277%0.7774%0.737SS**  cis-164.6147.2-12.5-129.3176-177.8-1800113
369T31.4Very low34.4Very low114 Ų114132.2 Ų132.270%0.69974%0.744SS**  trans40.8145.7144.544.60000126.1
370T32.3Very low35Very low116 Ų116131.6 Ų131.671%0.71275%0.752SS**  trans81.9117.4145.123.90000123.6
371T29.8Very low34.8Very low118 Ų118133.7 Ų133.772%0.72475%0.75SS**  trans48.3152.5132.255.10000124.8
372H31.3Very low34.4Very low178 Ų178136.9 Ų136.982%0.82475%0.751SS**  trans85.1150.2156.9-90.6-81000119.7
373F28Very low34.2Very low190 Ų190136.5 Ų136.583%0.83375%0.748SS**  trans-54137.3168.3-80.1-118.1000111
374I29Very low34.3Very low153 Ų153134.7 Ų134.779%0.78575%0.749SS**  -173.5139.7121.3-95.6151.6000107.5P376I374-P376 HydrophobicContact CG2-CG 4.06Å; I374-P376 WeakPolarHBondContact O-CD 3.16Å
375A42.7Very low34.5Very low102 Ų102134.9 Ų134.984%0.84375%0.746SS**  trans-106.5115.6171.200000109.9
376P37.4Very low34.3Very low96 Ų96134.1 Ų134.162%0.62374%0.741SS**  trans-125139157.537.1-21000109I374I374-P376 HydrophobicContact CG2-CG 4.06Å; I374-P376 WeakPolarHBondContact O-CD 3.16Å
377V27.4Very low34.8Very low132 Ų132137.7 Ų137.780%0.875%0.749SS**  59112.556.2-175.40000108.7
378E33.8Very low34.5Very low152 Ų152136.7 Ų136.771%0.7175%0.747SS**  cis-126.6158.229.7-66.5-170.2109.200115.3R381E378-R381 IonicContact OE1-NH2 3.29Å
379L41.4Very low34.6Very low149 Ų149133 Ų13378%0.7874%0.741SS**  trans-76.8132.6156.4-68.5157.1000110R381L379-R381 VanDerWaalsContact C-N 3.34Å; L379-R381 PolarHBondContact O-N 3.36Å
380P47.9Very low34.8Very low116 Ų116135.5 Ų135.575%0.75375%0.745SS**  trans-67.499.7135.929.8-27.2000106.3
381R29.6Very low35.1Very low167 Ų167135.2 Ų135.263%0.6374%0.743SS**  54.2106.387.2-64.6178.5-171.3-177.16110.1E378 L379E378-R381 IonicContact OE1-NH2 3.29Å; L379-R381 VanDerWaalsContact C-N 3.34Å; L379-R381 PolarHBondContact O-N 3.36Å
382R28.8Very low35.4Very low218 Ų218138.6 Ų138.682%0.82375%0.748SS**  119.7155.879-93.7-175.8-174.9-157.30.7106.2
383S33.9Very low35.2Very low92 Ų92136.8 Ų136.864%0.64374%0.744SS**  cis-167.4126.5-1241.80000110.9
384S40.4Very low35.9Very low110 Ų110132.1 Ų132.177%0.76973%0.733SS**  trans-163.183.314850.90000108.1
385T41Very low36.2Very low108 Ų108131 Ų13166%0.66373%0.734SS**  71.9126.879.962.80000113.9
386T36.2Very low35.6Very low119 Ų119129.9 Ų129.973%0.7373%0.732SS**  trans55.5137.1136.462.70000119.4
387L40.6Very low35.2Very low150 Ų150128.8 Ų128.879%0.78574%0.738SS**  cis-137.1142.922.1-86.192.7000112.1
388S28.2Very low35.3Very low113 Ų113129.7 Ų129.779%0.7974%0.735SS**  trans-78151.8140.2-49.60000108.3
389P35.9Very low35.1Very low99 Ų99132.2 Ų132.264%0.64374%0.738SS**  -143172.6103.125.1-4.8000115
390H35Very low34.7Very low168 Ų168131.5 Ų131.578%0.77874%0.735SS**  trans2.3128.4141.2-43.3-60.3000115.7
391T38.5Very low34.3Very low109 Ų109131.5 Ų131.567%0.66974%0.735SS**  cis-160179.112.90.20000108.3
392F37.2Very low34.3Very low189 Ų189130.8 Ų130.883%0.82974%0.738SS**  cis-141.5-165.123.3-123-56.3000113.2
393N26.9Very low34.4Very low140 Ų140126 Ų12675%0.74973%0.728SS**  trans-153.5179.5-178.7-135.85.6000105
394P42.1Very low34.3Very low92 Ų92129.4 Ų129.460%0.59773%0.734SS**  cis-139.6-173.915.436-12.6000115.9
395T34.4Very low34.1Very low131 Ų131129.9 Ų129.980%0.80473%0.727SS**  trans50.1129.7147.946.20000119
396G30.1Very low33.8Very low77 Ų77131.8 Ų131.879%0.79473%0.728SS**  119.5163.566.900000108
397G29.6Very low33.8Very low74 Ų74132.9 Ų132.976%0.76373%0.729SS**  cis114.551.62700000111.3
398M29.6Very low33.4Very low150 Ų150130.6 Ų130.674%0.73973%0.726SS**  trans67.6145.2172-63.2-173.664.600120.1
399R29.9Very low34Very low205 Ų205130.7 Ų130.777%0.77472%0.724SS**  trans66.9124.9147.8-81.8-178.6171.5143.1-1.7121.4
400L33Very low34Very low134 Ų134134.9 Ų134.970%0.70274%0.735SS**  38.7137.9116.4-82.769000119.2
401P40.1Very low34Very low117 Ų117131.7 Ų131.776%0.7673%0.731SS**  -87.1141.883.2-24.136.7000112.4
402E29Very low33.5Very low151 Ų151136 Ų13671%0.70674%0.741SS**  63.4130.469.4-60.4-169.5123.300112.9
403I31.1Very low33.3Very low119 Ų119137.3 Ų137.361%0.6174%0.742SS**  cis-155.7144.65.2-129.4165.1000111.2
404Q31.8Very low33.6Very low163 Ų163135.4 Ų135.476%0.76274%0.736SS**  trans63.5162.7160.3-68.1172.7600117.3
405I36.2Very low32.9Very low120 Ų120138 Ų13862%0.61575%0.745SS**  cis-145.2162-5.2-129.4159.9000110.8
406E33.8Very low32.6Very low147 Ų147135.6 Ų135.669%0.68774%0.738SS**  trans6.5136.3160.9-52.4153.9-176.400119.5
407N37.6Very low32.8Very low143 Ų143139.5 Ų139.577%0.76574%0.739SS**  -167.7167.160.4-88.6-85.8000109.8
408S32.1Very low32.7Very low101 Ų101139.4 Ų139.471%0.70674%0.738SS**  cis163145.8-18.9-170.80000104.5
409P39.5Very low33.1Very low115 Ų115138.6 Ų138.675%0.74774%0.742SS**  trans-109.3173.7-156.541.2-35.8000115.3
410Q37.2Very low33.2Very low188 Ų188135.8 Ų135.888%0.87974%0.741SS**  trans-162144.4156.9-104.9162.619.500110.6
411S34.9Very low33.2Very low101 Ų101135.7 Ų135.771%0.70674%0.742SS**  cis-172.8144.8-37.443.40000109.2
412F27.1Very low32.9Very low199 Ų199137 Ų13787%0.87375%0.747SS**  trans-92.2141.8173-78.5-106.7000112.3
413Y33.1Very low32.9Very low217 Ų217135.1 Ų135.185%0.85175%0.75SS**  trans-168.8143.3158.9-87.5-58.4000107.4
414T32.8Very low33Very low100 Ų100139 Ų13961%0.61376%0.762SS**  cis71.7134.42.777.90000117.3
415D27.2Very low33.1Very low146 Ų146136.4 Ų136.478%0.78176%0.762SS**  cis-162.1163.2-10.2-127.6-46.4000112.8
416A28.5Very low33.4Very low81 Ų81135.3 Ų135.367%0.66976%0.763SS**  trans57.2-177.8153.800000121.3
417I33.7Very low33.4Very low159 Ų159135.7 Ų135.782%0.81576%0.762SS**  trans66.6110.9179.1-46.6178.5000114.3
418G28.2Very low33.2Very low72 Ų72138.7 Ų138.774%0.74276%0.763SS**  cis9885.3400000112.7
419T37.3Very low33.3Very low132 Ų132138.6 Ų138.681%0.8176%0.758SS**  trans-125.7142.1-174.851.50000113.8
420L33.7Very low33.1Very low147 Ų147141.2 Ų141.277%0.7776%0.758SS**  trans-50.1151.5179.8-89.159.4000115.4
421N31.6Very low32.9Very low132 Ų132139.7 Ų139.771%0.70675%0.751SS**  trans35115.9136.4-48.7-17.2000118.5
422T35.3Very low32.7Very low144 Ų144140.8 Ų140.888%0.88375%0.753SS**  -173.7165.198.824.70000113.3
423C27.5Very low33.5Very low111 Ų111136.2 Ų136.275%0.7574%0.743SS**  trans-68.3162.9-172-43.90000114.9
424K34.5Very low33.2Very low201 Ų201130.9 Ų130.987%0.87474%0.737SS**  trans119.6101.1152.4-66.3165.8-177174.30116
425S32.1Very low33.1Very low108 Ų108132.5 Ų132.576%0.75574%0.74SS**  -62.2160.2129.956.80000108.7
426P43.4Very low33.2Very low98 Ų98131.4 Ų131.464%0.63673%0.734SS**  -155.9-164.851.437.3-11.6000116.7
427K33.7Very low33.2Very low154 Ų154133.6 Ų133.667%0.6774%0.739SS**  trans74.5151.8161.4-60.3175.8-176.8-179.80115.7
428W33.2Very low33.1Very low207 Ų207130.2 Ų130.278%0.78473%0.73SS**  cis-174.1159.8-9.8-104-5000107.7
429T34Very low33.2Very low98 Ų98133.4 Ų133.460%0.60173%0.73SS**  cis-172.1168.2-22.619.30000110.2
430K35.4Very low33Very low171 Ų171132.7 Ų132.774%0.74373%0.725SS**  trans77.8135.8143.5-85.1167.8169.5-170.60122
431Q34.3Very low32.8Very low156 Ų156132.6 Ų132.673%0.72972%0.723SS**  trans87.688.6132-75.2168.1-47.200122.4
432T30.6Very low32.8Very low124 Ų124134.2 Ų134.276%0.76173%0.726SS**  -4.5167105.341.10000119.6
433P43.2Very low32.5Very low102 Ų102135 Ų13566%0.66272%0.724SS**  cis-145.8-162.3-26.138-16.6000114.6
434C26.8Very low33.1Very low106 Ų106135.1 Ų135.172%0.71672%0.723SS**  trans73.6159.4143-76.10000119.2
435I31Very low32.8Very low133 Ų133133.9 Ų133.968%0.68272%0.718SS**  cis-159.1154.9-10.9-122.1168.4000112.8
436N28.1Very low32.7Very low123 Ų123135.3 Ų135.366%0.65872%0.716SS**  trans36.7147.5152.9-54.4-12.7000126
437T28.8Very low32Very low127 Ų127138.4 Ų138.478%0.77972%0.72SS**  trans44.1148.4133.361.30000122.8
438S31.3Very low31.9Very low88 Ų88137.7 Ų137.762%0.61572%0.722SS**  cis-175-178.5-9.153.50000110.8
439N31.2Very low31.7Very low140 Ų140133.6 Ų133.675%0.74973%0.725SS**  trans81.1121.9147.6-70.9-8000123.4
440V33.1Very low31.5Very low116 Ų116133.6 Ų133.670%0.70373%0.729SS**  76.7103.5123.8179.50000121.4
441M29.8Very low31.2Very low146 Ų146131.6 Ų131.672%0.71973%0.731SS**  trans67.2135.3133.1-64.7176.766.600124.5
442Q30.8Very low31Very low165 Ų165130.3 Ų130.377%0.77173%0.734SS**  trans74.598.2143.2-75.1173.4-23.900122.1
443L29Very low31.4Very low162 Ų162131.7 Ų131.785%0.84874%0.735SS**  trans-7.5140.1131.1-79.7163.3000116.7
444P39.9Very low31.6Very low112 Ų112132.4 Ų132.473%0.72774%0.74SS**  -150141.58138.4-20.3000119.6
445K30Very low32Very low175 Ų175132.7 Ų132.776%0.76174%0.743SS**  trans58108.2132.6-64178.6-179.7175.20123.2
446L29.1Very low32.3Very low138 Ų138131.8 Ų131.872%0.72375%0.749SS**  87.9143.7113.8-69172.4000123.8
447F29.3Very low32.6Very low164 Ų164131.4 Ų131.472%0.71976%0.755SS**  trans77.499.9152.5-74.5-63.2000123.1
448I30.3Very low33Very low139 Ų139130.3 Ų130.371%0.71375%0.753SS**  trans40.8120.6132.7-47.9171.6000117.7
449S29.2Very low33.2Very low120 Ų120131.1 Ų131.184%0.83976%0.759SS**  -169.4158.690.8-66.80000116.6
450S30.9Very low33.7Very low99 Ų99130.8 Ų130.869%0.69276%0.762SS**  trans-76.7152.6-164.3-44.30000120.8
451T28.9Very low34.2Very low129 Ų129129.4 Ų129.479%0.79176%0.756SS**  trans60.9124.2131.954.80000125.1
452T30.8Very low34.4Very low128 Ų128130.6 Ų130.679%0.78576%0.757SS**  -165123.4122.628.30000108.5
453I37.6Very low34.3Very low153 Ų153128.2 Ų128.279%0.78575%0.75SS**  73.4141.477-69.4176.1000112.8
454P48.2Very low34.3Very low117 Ų117127.5 Ų127.576%0.7675%0.746SS**  cis-114.4175620.83.6000113.9
455S34.6Very low33.9Very low112 Ų112128.5 Ų128.578%0.78374%0.744SS**  cis-162.5177.947.854.30000114.1
456S36.8Very low34Very low115 Ų115127.4 Ų127.480%0.80474%0.744SS**  trans75.780.7-17564.90000117.9
457S35.8Very low33.8Very low114 Ų114125.6 Ų125.680%0.79774%0.744SS**  trans-24.7158.5145.247.30000119
458S36.6Very low33.9Very low104 Ų104123.2 Ų123.273%0.72774%0.742SS**  cis-175175.4-10.153.10000112.1
459S36.4Very low34Very low106 Ų106125.5 Ų125.574%0.74175%0.747SS**  trans82.1138.1160.478.40000119.2
460T41.2Very low34.3Very low132 Ų132126.9 Ų126.981%0.8174%0.738SS**  cis-166.5163.5-40.317.20000109.6
461P43.7Very low34.4Very low88 Ų88128.2 Ų128.257%0.57173%0.728SS**  -142.6-134.6-124.241.8-17.2000114.6
462F33.3Very low34.5Very low171 Ų171127.5 Ų127.575%0.7572%0.716SS**  trans74.8149168.2-51.9-49000117.3
463D29.7Very low34.7Very low115 Ų115127.9 Ų127.962%0.61570%0.703SS**  cis-155.1149.6-21.6-102.8-17.2000108.2
464L28.4Very low34.6Very low146 Ų146126.8 Ų126.876%0.76469%0.694SS**  80.1153.961.5-126.3174.2000113.5
465I30.5Very low33.9Very low133 Ų133126.8 Ų126.868%0.68269%0.687SS**  trans90.7102.7163.1-60.8-176.6000121
466I31.9Very low33.6Very low152 Ų152130.7 Ų130.778%0.77969%0.685SS**  trans67.7100.5130.1-58.1-178.4000122.3
467S26Very low33.3Very low101 Ų101129.7 Ų129.771%0.70668%0.677SS**  76.3149.1117.3-153.60000125.4
468T31.2Very low33Very low113 Ų113131.2 Ų131.269%0.69367%0.672SS**  trans96.8144.4155.580.30000121.9
469K32.3Very low32.6Very low187 Ų187130.8 Ų130.881%0.81367%0.669SS**  trans70.6106.3151.8-73.5163.1-177.7170.90122
470K35.3Very low32.2Very low150 Ų150131 Ų13165%0.65267%0.669SS**  32114.8125-64.2-176.8171.9-160.20120.5H657K470-H657 WeakPolarHBondContact CE-CE1 3.42Å; K470-H657 PolarHBondContact NZ-CE1 3.05Å; K470-H657 PolarHBondContact NZ-NE2 3.21Å; K470-H657 VanDerWaalsContact NZ-NE2 3.11Å
471R32.4Very low31.6Very low127 Ų127132.2 Ų132.248%0.47967%0.67SS.*  66.1167129.4-61.9-171.5171.5-143.90.1117.7S656 H657R471-S656 PolarHBondContact NH1-O 2.91Å; R471-H657 VanDerWaalsContact CD-CE1 3.47Å; R471-H657 WeakPolarHBondContact CD-CE1 3.19Å; R471-H657 PolarHBondContact NE-CE1 2.98Å; R471-H657 VanDerWaalsContact NE-CE1 3.25Å; R471-H657 PolarHBondContact NE-ND1 2.94Å
472H32.6Very low31.1Very low114 Ų114132.9 Ų132.953%0.52868%0.677SS.*  cis-153.8152.615.9-139.8-31.4000112.9L655H472-L655 PolarHBondContact NE2-O 3.03Å
473R34.2Very low31Very low136 Ų136130 Ų13051%0.51368%0.678SS.*  trans50.5113.2139.4-97.1-175175.7-154-5.1122M654 L655R473-M654 PolarHBondContact NH1-O 2.84Å; R473-L655 WeakPolarHBondContact CD-O 3.35Å; R473-L655 PolarHBondContact NE-O 3.25Å; R473-L655 PolarHBondContact NH1-O 3.01Å; R473-L655 VanDerWaalsContact NH1-O 3.14Å
474Q34.4Very low31.7Very low129 Ų129130.8 Ų130.860%0.60369%0.689SS**  77.6131108.3-86.8-173.2-35.900124.3
475L33.9Very low31.8Very low117 Ų117127 Ų12761%0.61369%0.685SS**  95.9130.4123.4-81.1169.6000122.4
476R29.1Very low31.9Very low195 Ų195127.8 Ų127.874%0.73669%0.691SS**  trans69.1159.3142.2-92175.5167.5143-1.9118E478R476-E478 IonicContact NE-OE1 3.9Å; R476-E478 PolarHBondContact NE-OE1 3.08Å
477S31Very low32Very low93 Ų93128.5 Ų128.565%0.6569%0.691SS**  cis-147.1155.50.80.20000111.8
478E29.2Very low32.3Very low147 Ų147130.6 Ų130.669%0.68769%0.689SS**  30.1143.7118.9-54.5158.1-134.900119.2R476R476-E478 IonicContact NE-OE1 3.9Å; R476-E478 PolarHBondContact NE-OE1 3.08Å
479S28.6Very low32.4Very low94 Ų94134.1 Ų134.166%0.65769%0.691SS**  cis-173.7169.5-10.5580000110.3
480C26.3Very low32.5Very low110 Ų110131 Ų13174%0.74368%0.679SS**  trans49133.4152.7-59.30000119.7
481L29.1Very low32.3Very low158 Ų158126.7 Ų126.783%0.82767%0.668SS**  -168.9175.768.8-86.7170.4000112
482S34.5Very low32.4Very low103 Ų103124.9 Ų124.972%0.7267%0.671SS**  trans65.7100.5163.4-55.50000116.5
483S30.1Very low32.5Very low111 Ų111127.9 Ų127.978%0.77668%0.682SS**  cis77.3155.331.2-35.20000113.7
484P44.1Very low32.4Very low131 Ų131128.9 Ų128.985%0.85169%0.686SS**  -145.1-170.6-100.238.8-16.5000116.5
485G31.1Very low32.3Very low65 Ų65133.7 Ų133.767%0.6770%0.699SS**  trans116.8169.7146.400000118
486N33.4Very low32.2Very low151 Ų151136.3 Ų136.381%0.80771%0.705SS**  cis-167.6178.3-24.4-13724.7000112.4
487E33.6Very low32.4Very low167 Ų167134.8 Ų134.878%0.7871%0.706SS**  trans71.9159.9160.7-69.5168.7-147.400120.7
488E31.3Very low32.2Very low144 Ų144135.3 Ų135.367%0.67371%0.71SS**  cis-164.1-178.4-45.5-173.1157.6-140.300108.9
489Y34.9Very low32.3Very low187 Ų187136.1 Ų136.173%0.73371%0.714SS**  trans80.3131.1166.6-66.2-92.3000118.8
490E32.7Very low32.4Very low121 Ų121140.7 Ų140.757%0.56572%0.722SS**  cis-158.3172.5-19.9-137.8-141.3150.100115.2R494E490-R494 IonicContact OE1-CZ 2.84Å; E490-R494 VanDerWaalsContact OE1-CZ 3.31Å; E490-R494 IonicContact OE1-NH1 3.79Å; E490-R494 PolarHBondContact OE1-NH1 3.26Å; E490-R494 IonicContact OE1-NH2 3.36Å; E490-R494 PolarHBondContact OE1-NH2 2.96Å
491C31.5Very low32.7Very low61 Ų61145.6 Ų145.641%0.41273%0.73SS.*  trans33.9125.7146.6-99.50000121.3R494C491-R494 PolarHBondContact SG-NH1 2.7Å
492T34.3Very low33.1Very low88 Ų88144 Ų14454%0.5472%0.722SS.*  cis-160.4169.222.740.70000109.2
493K34.6Very low33.2Very low178 Ų178147.1 Ų147.177%0.77472%0.723SS**  cis-132.11507.4-78.787.1-169158.10107.5
494R32.3Very low33.2Very low156 Ų156152.9 Ų152.959%0.58973%0.728SS**  cis6590.418.8-46.8-177.3-176.2174.56.8114.3E490 C491E490-R494 IonicContact OE1-CZ 2.84Å; E490-R494 VanDerWaalsContact OE1-CZ 3.31Å; E490-R494 IonicContact OE1-NH1 3.79Å; E490-R494 PolarHBondContact OE1-NH1 3.26Å; E490-R494 IonicContact OE1-NH2 3.36Å; E490-R494 PolarHBondContact OE1-NH2 2.96Å; C491-R494 PolarHBondContact SG-NH1 2.7Å
495R32.4Very low32.7Very low230 Ų230154 Ų15487%0.86872%0.719SS**  cis-179.4162.9-15.1-104.4168.4158.1103.6-9.6106.2
496K31.9Very low32.6Very low172 Ų172159 Ų15975%0.74872%0.718SS**  cis90.9126.233.9-134.7-170.6-178.4-1660116.9
497H32.9Very low32.5Very low164 Ų164162.9 Ų162.976%0.75972%0.721SS**  trans81.1149.5158.6-77.8-67.3000124.6
498S27.1Very low32.4Very low104 Ų104163 Ų16373%0.72772%0.722SS**  trans-97.3141161.2165.70000110.5
499Q31.9Very low32.4Very low164 Ų164159.9 Ų159.977%0.76671%0.71SS**  trans-175.6128.4132.5-94.6-92.1-3.900111.1
500K29.7Very low32.2Very low190 Ų190159.1 Ų159.183%0.82671%0.713SS**  trans46.2109.9139.6-158.6173.7-168176.80119.7
501K34.3Very low32.3Very low213 Ų213160 Ų16093%0.92673%0.727SS**  trans-150.1127.9151.3-138170.7-170.5173.80110.2
502D36.2Very low32.5Very low123 Ų123161.9 Ų161.966%0.65874%0.74SS**  trans-117138.3168.7-157.94.9000110.8
503K37.2Very low32.5Very low170 Ų170163.4 Ų163.474%0.73975%0.745SS**  trans19.8115.8172.6-69.7162.3-155.381.40120.6
504R29.9Very low32.5Very low232 Ų232161.9 Ų161.988%0.87574%0.74SS**  trans-164.1145.6135.6-104.4175.3-173-166.23107.7
505K33.5Very low32.4Very low154 Ų154161 Ų16167%0.6774%0.743SS**  cis-159.4153.4-4-155.1176.5179.9-168.60110.5
506R29.6Very low32.3Very low171 Ų171156.2 Ų156.265%0.64573%0.73SS**  trans1136.7160.3-55.7176.9-166.3177.7-0.3120.9D509R506-D509 VanDerWaalsContact CD-OD2 3.26Å; R506-D509 WeakPolarHBondContact CD-OD2 3.46Å; R506-D509 IonicContact CZ-OD2 3.17Å; R506-D509 IonicContact NE-OD2 3.81Å; R506-D509 IonicContact NH1-OD2 2.91Å; R506-D509 PolarHBondContact NH1-OD2 3.17Å
507R30.5Very low32.4Very low231 Ų231154.6 Ų154.687%0.87273%0.725SS**  -133.8155.8102.6-64.7-168.3-179.1-169.3-0.7107.1
508H31.2Very low32.1Very low171 Ų171157.4 Ų157.479%0.79273%0.73SS**  cis-107.6162.74.5-96.5-99.2000113.7
509D31.8Very low32.3Very low78 Ų78162.4 Ų162.442%0.41774%0.735SS.*  trans-121139.8157.2-91.3-68.2000107.5R506R506-D509 VanDerWaalsContact CD-OD2 3.26Å; R506-D509 WeakPolarHBondContact CD-OD2 3.46Å; R506-D509 IonicContact CZ-OD2 3.17Å; R506-D509 IonicContact NE-OD2 3.81Å; R506-D509 IonicContact NH1-OD2 2.91Å; R506-D509 PolarHBondContact NH1-OD2 3.17Å
510Q30.1Very low32.4Very low170 Ų170162.4 Ų162.479%0.79473%0.734SS**  trans48.5117.8138.3-59.4165.957.200123
511T36.1Very low32.6Very low141 Ų141159.9 Ų159.987%0.86573%0.725SS**  -157.5142.6122.8470000105.8
512S35.1Very low32.6Very low99 Ų99156.7 Ų156.769%0.69271%0.713SS**  cis-141.81495.164.10000108.4
513D34.2Very low32.4Very low121 Ų121161.9 Ų161.965%0.64772%0.724SS**  62.4136.876.7-45.3-55.4000114.6
514H34.8Very low32.3Very low145 Ų145160.9 Ų160.967%0.67172%0.722SS**  cis-160.9-176.3-6.1-127.169.3000111.9
515H30.6Very low32.5Very low137 Ų137158.2 Ų158.263%0.63472%0.716SS**  trans-12169.6155.3-73.17.7000122.1
516H30.9Very low32.6Very low130 Ų130156.8 Ų156.860%0.60273%0.726SS**  cis-164.8178.68.1-124.81.9000115
517H32.4Very low32.8Very low139 Ų139151.6 Ų151.664%0.64473%0.725SS**  trans55.9124.1146.5-76.1-52.7000124.7
518Y27.4Very low33Very low222 Ų222151.3 Ų151.387%0.87173%0.726SS**  trans-49.4128.8133.4-98.6-108.2000111.2
519Y31.9Very low33.3Very low210 Ų210147.9 Ų147.982%0.82472%0.721SS**  trans-168.1124.4142.6-102.6-67000111.6
520H33.5Very low33.6Very low163 Ų163148.6 Ų148.676%0.75573%0.732SS**  trans-98.1148.3146-89.9-108.6000106.4
521H33.4Very low34Very low138 Ų138145.9 Ų145.964%0.63973%0.732SS**  cis-150.5162.522-140.3-77.7000112.7
522H34.1Very low33.9Very low145 Ų145147 Ų14767%0.67173%0.725SS**  trans83.2110.5160-71.9-64.9000123.7
523R32.9Very low33.9Very low232 Ų232150.1 Ų150.188%0.87573%0.729SS**  trans69.1133.1140.4-74.8-178.7170.4-175.1-2.3117.8
524Q34.7Very low33.8Very low150 Ų150150.1 Ų150.170%0.70173%0.729SS**  cis-139.3153.515.8-64.4-170.73200115
525K34.3Very low33.7Very low176 Ų176152.8 Ų152.877%0.76573%0.734SS**  trans64.9117.3145.4-74170.6178.9172.90122.8
526S34.9Very low33.7Very low123 Ų123153.1 Ų153.186%0.8674%0.741SS**  trans57.5131.1141.255.40000121.7
527G33.6Very low33.8Very low62 Ų62153.4 Ų153.464%0.63975%0.751SS**  cis168.9159.1-7.400000114.7
528Y35.9Very low33.7Very low226 Ų226151.5 Ų151.589%0.88675%0.754SS**  trans61.3119.1173.8-59.4-85.9000116.7
529S37.1Very low34Very low98 Ų98147 Ų14769%0.68575%0.749SS**  cis87.4150.738.594.60000113.9
530S38.5Very low33.9Very low94 Ų94142 Ų14266%0.65775%0.745SS**  cis-165.7143.17.511.70000112.9
531S38.5Very low34Very low112 Ų112143.4 Ų143.478%0.78375%0.748SS**  51.1171.1129.982.20000121.7
532F34.1Very low34Very low166 Ų166143.7 Ų143.773%0.72875%0.753SS**  cis-152160.5-13.5-146-129.3000107.9
533E34.8Very low34.2Very low164 Ų164145.3 Ų145.377%0.76675%0.754SS**  136.9173.395-156.1159.7-111.800108.9
534D32.6Very low34.3Very low120 Ų120144.9 Ų144.964%0.64275%0.752SS**  -151.5-174.6-87-158.9-2.2000112.4
535Y32.2Very low34.4Very low201 Ų201149.2 Ų149.279%0.78876%0.762SS**  trans91.5153159.9-85.5-82.8000125.3
536N29.1Very low34.5Very low144 Ų144146.1 Ų146.177%0.7776%0.762SS**  trans-88-178.1-178.3-66.9-80.9000111.7
537V34Very low34.4Very low137 Ų137144 Ų14483%0.8376%0.759SS**  -159.3-170.256.2170.50000110.5
538S31.2Very low34.5Very low99 Ų99146.7 Ų146.769%0.69277%0.769SS**  trans-118.2179-14958.40000117.9
539V32.1Very low34.3Very low128 Ų128140.5 Ų140.578%0.77676%0.758SS**  trans89.2103.3157.8179.30000120.7
540S29.4Very low34.3Very low104 Ų104141.8 Ų141.873%0.72776%0.762SS**  trans44.9116.5132.5-520000124.1
541K36.2Very low34.1Very low192 Ų192141.9 Ų141.984%0.83576%0.763SS**  179.9150.5102.2-99.8170.3-178.5173.90115
542I33.7Very low33.7Very low144 Ų144144.5 Ų144.574%0.73877%0.767SS**  trans63110.2148.9-66.3167.5000118.1
543R38Very low33.6Very low180 Ų180142.9 Ų142.968%0.67977%0.771SS**  64.5127.290.4-108.6-179.4-179.5162.80.8111.9E1271R543-E1271 IonicContact CZ-OE2 3.01Å; R543-E1271 IonicContact NH1-OE2 3.29Å; R543-E1271 PolarHBondContact NH1-OE2 2.66Å; R543-E1271 IonicContact NH2-OE2 3.27Å; R543-E1271 PolarHBondContact NH2-OE2 3.41Å
544R36Very low33.5Very low222 Ų222140.2 Ų140.284%0.83877%0.77SS**  cis-142.2176.525.9-78.3-179.4168.1136.4-1.8114.5
545R37.2Very low33.7Very low242 Ų242139.4 Ų139.491%0.91378%0.775SS**  trans-85.8-174.6175.5-44.8170.7174.6161.6-4.9110.2
546S35.7Very low33.6Very low111 Ų111138 Ų13878%0.77678%0.779SS**  cis-171.6146.816.940.10000113.5
547G33.2Very low33.8Very low77 Ų77136.5 Ų136.579%0.79478%0.78SS**  trans76.7162.3150.700000117.4
548S34.8Very low33.9Very low120 Ų120136.6 Ų136.684%0.83978%0.782SS**  cis-152.8173-11.9-158.80000111.1
549S32.5Very low33.9Very low95 Ų95139.1 Ų139.166%0.66479%0.787SS**  trans-74.2139.6-178.754.70000114.2
550T37.2Very low33.8Very low126 Ų126137.9 Ų137.977%0.77378%0.784SS**  165.8131.3108.343.10000112.9
551S33Very low34.2Very low96 Ų96143.1 Ų143.167%0.67180%0.795SS**  trans45.8123.8146.562.10000122.5
552L30.5Very low34.1Very low166 Ų166139.2 Ų139.287%0.86979%0.791SS**  trans63.6129.5138.4-58173.2000117.3
553T31.9Very low34.4Very low133 Ų133138.5 Ų138.582%0.81680%0.796SS**  cis-149.9170.921.350.80000111.2
554S33.6Very low34Very low107 Ų107136.1 Ų136.175%0.74880%0.801SS**  trans-111.7105.7164.255.70000111.5
555S35.9Very low34Very low104 Ų104134 Ų13473%0.72781%0.805SS**  trans38.898.1147.257.60000120.2
556L30.2Very low33.7Very low170 Ų170126.8 Ų126.889%0.8979%0.792SS**  trans-9.2146.8134.7-69.1152.5000118.6
557S32.6Very low33.6Very low113 Ų113127.9 Ų127.979%0.7979%0.789SS**  trans-160.2140145.6-79.40000112.7
558T37.1Very low33.6Very low140 Ų140131.1 Ų131.186%0.85979%0.788SS**  trans67.9141.6169.557.10000119.4
559D30.8Very low33.6Very low152 Ų152131.6 Ų131.681%0.81379%0.786SS**  trans-125.4158.5-167.1-72.9-75.5000113.5
560S31Very low33.7Very low102 Ų102132.8 Ų132.871%0.71379%0.794SS**  trans42.9122.4146.566.80000121.7
561F37.1Very low34Very low214 Ų214131.9 Ų131.994%0.93979%0.791SS**  trans-149.5146.7131.5-100.8-72.8000111.5
562S34.9Very low34.2Very low109 Ų109134 Ų13476%0.76280%0.795SS**  trans-133.6153.5162.5-53.10000106.6
563P39Very low34.7Very low129 Ų129134.1 Ų134.184%0.83879%0.791SS**  -149.4-173.986.139.6-20.8000115.3
564T29.1Very low34.8Very low130 Ų130133.7 Ų133.780%0.79878%0.783SS**  trans-75.3150.2179.649.20000115.2
565I37Very low34.9Very low177 Ų177136.7 Ų136.791%0.90878%0.783SS**  trans-147.6164.8149.1-103.3162000108.4
566S30.8Very low35.4Very low91 Ų91136.4 Ų136.464%0.63678%0.779SS**  trans-121.5178.9-164630000115.5
567N33.5Very low35.5Very low134 Ų134139 Ų13972%0.71778%0.777SS**  trans101.398.7158.3-54.3-8.6000119.8
568N32.1Very low35.6Very low145 Ų145141.1 Ų141.178%0.77578%0.779SS**  64133.7122.6-59.6-2.9000125.1
569T35Very low35.4Very low130 Ų130138.3 Ų138.380%0.79877%0.769SS**  trans74.595.3142.7440000123.3
570S34.5Very low36Very low120 Ų120136.7 Ų136.784%0.83977%0.767SS**  50159.6126.7-83.50000124.3
571P44.3Very low36.1Very low107 Ų107140.2 Ų140.270%0.69578%0.777SS**  cis-133.3-167.3-6.940.4-22.3000115.5
572N37.8Very low35.8Very low142 Ų142140.8 Ų140.876%0.75977%0.773SS**  trans94.2133.4157.9-71.512.9000122.7
573E40.1Very low35.7Very low168 Ų168141.9 Ų141.979%0.78577%0.769SS**  trans66.1111.8154.6-67.2-179.4-163.300124.1
574D35.2Very low35.3Very low124 Ų124144.2 Ų144.266%0.66377%0.768SS**  79.482.4128.8-74.431000124.9
575F34.1Very low35.4Very low170 Ų170144.3 Ų144.375%0.74676%0.763SS**  trans72.9155.5133.6-69.8-72.1000121.1
576P46.6Very low35.3Very low98 Ų98141.2 Ų141.264%0.63676%0.755SS**  cis-130.2136.8-6.430.4-10.1000116.5
577R33.8Very low35.3Very low224 Ų224147.6 Ų147.685%0.84577%0.765SS**  trans65.6141.7144.4-56.4167.5-171.2-141.2-1.6118.2
578L33.9Very low35.1Very low158 Ų158146 Ų14683%0.82776%0.764SS**  cis-169.2153-9.5-106.2171.7000104.1
579A33.6Very low35Very low80 Ų80146.6 Ų146.666%0.66177%0.766SS**  cis-158.9-170.53.500000106.9
580P43.6Very low34.7Very low118 Ų118145.7 Ų145.777%0.76676%0.761SS**  cis-130.5171.7-7.542.1-27.6000114.5
581L31.8Very low34.3Very low176 Ų176146.1 Ų146.192%0.92176%0.759SS**  trans-160.9170.7147.4-112.4170.1000111.5
582R30.5Very low33.6Very low227 Ų227149.7 Ų149.786%0.85777%0.766SS**  trans-105.8165.9-179-72.5176.3168.2141.9-6.7109.2
583I34.1Very low33.1Very low131 Ų131149.7 Ų149.767%0.67277%0.765SS**  -161.2134.662.4-84.2171.3000112.2L585I583-L585 HydrophobicContact CG2-CD1 4Å
584H29Very low32.8Very low178 Ų178147.7 Ų147.782%0.82477%0.77SS**  trans15278.1155.7-97-81.4000106.2
585L31.3Very low32.5Very low132 Ų132145 Ų14569%0.69177%0.771SS**  52132.172.4-80.6130.7000112.8I583I583-L585 HydrophobicContact CG2-CD1 4Å
586P35.6Very low32.4Very low113 Ų113141.8 Ų141.873%0.73477%0.77SS**  cis-71.8-165.23.3-16.733.8000114.3
587R31.1Very low31.6Very low224 Ų224144.4 Ų144.485%0.84578%0.779SS**  cis-158.4163-29-110.2168.7-177.7172.60.7104.9
588S29.6Very low31.6Very low102 Ų102138.1 Ų138.171%0.71377%0.769SS**  cis72.2133.349.9-41.90000115
589L29.3Very low31.5Very low156 Ų156136.7 Ų136.782%0.81777%0.766SS**  cis-158.6-168.6-6.7-122.1174000111.8
590T28Very low31.4Very low112 Ų112138 Ų13869%0.68777%0.77SS**  trans-64.1162.5-179.946.90000115.9
591T27.2Very low30.7Very low128 Ų128137 Ų13779%0.78577%0.765SS**  trans-15.2121.9157.851.80000117.4
592Q29.6Very low30.5Very low183 Ų183138.2 Ų138.286%0.85576%0.759SS**  -170.6-173.8118.8-103.3-167.237.500112.1
593L28.2Very low30.7Very low142 Ų142132.7 Ų132.774%0.74375%0.751SS**  trans-72.5166-163.8-63.586.9000115.3
594S31.8Very low30.5Very low126 Ų126131.7 Ų131.788%0.88175%0.747SS**  trans65.6141.5162.963.40000118.4
595G29.7Very low30.6Very low66 Ų66128.4 Ų128.468%0.6874%0.735SS**  cis-176.3163.6-6.500000113.2
596S32.7Very low30.5Very low104 Ų104128.9 Ų128.973%0.72773%0.734SS**  trans40.7128.3154.452.70000122
597D30.2Very low30.1Very low153 Ų153131.1 Ų131.182%0.81873%0.734SS**  trans74.9152.7144.2-55.2-19.2000120.9
598S32.5Very low30.4Very low92 Ų92128.7 Ų128.764%0.64373%0.732SS**  cis-167.1167.1-33.467.90000110.9
599V31.5Very low30.6Very low127 Ų127128.9 Ų128.977%0.7773%0.734SS**  trans70.1153.51541710000118.9
600C32.5Very low30.9Very low109 Ų109128.2 Ų128.274%0.73673%0.73SS**  trans52.7106.2174-72.70000118.1
601S27.8Very low31.4Very low96 Ų96129.7 Ų129.767%0.67173%0.733SS**  cis81.6131.829.594.70000116.8
602Y28.4Very low31.7Very low201 Ų201130.1 Ų130.179%0.78873%0.73SS**  trans83.1149.4148.2-98.4-126.8000120.6
603T34.7Very low32Very low111 Ų111129.9 Ų129.968%0.68172%0.723SS**  trans75135150480000121.5
604D31Very low32.2Very low111 Ų111128.8 Ų128.859%0.59471%0.713SS**  cis177.1152.2-26.4-112.89.6000109.2
605N29.6Very low32.3Very low109 Ų109129.3 Ų129.358%0.58370%0.701SS**  trans62.8160.6135.9-63.6-17.1000121.1
606H29.9Very low32.5Very low142 Ų142133.2 Ų133.266%0.65770%0.702SS**  cis-156.3173.7-8.5-120.2-21.6000112.2
607H27.6Very low33.1Very low160 Ų160132.4 Ų132.474%0.74169%0.694SS**  trans56.9122.6152-88.2-108.4000120.2
608E36.2Very low33.3Very low172 Ų172130.1 Ų130.180%0.80469%0.686SS**  -172.9126.893.3-97.1-161.8141.300113.4
609S34.4Very low33.5Very low106 Ų106133.8 Ų133.874%0.74169%0.687SS**  trans65165153.987.30000117.9
610L35.8Very low33.5Very low143 Ų143136.5 Ų136.575%0.74968%0.683SS**  cis-151.5138.3-8.4-160.469.6000110
611I37.7Very low33.4Very low143 Ų143137.6 Ų137.673%0.73368%0.681SS**  trans46.4112.6153.8-69.6167.5000118.7
612D33.8Very low33.6Very low137 Ų137137.7 Ų137.773%0.73368%0.682SS**  cis-146.5-112-15.8-153.5-122.1000111.2
613Y35.1Very low33.8Very low178 Ų178133.7 Ų133.770%0.69868%0.683SS**  cis-156.5-169.8-5.2-15925.8000112.5
614H34.2Very low33.7Very low118 Ų118133.5 Ų133.555%0.54669%0.686SS.*  trans-48.1138.9-179.6-68.7-45.7000114.3
615H33.8Very low33.7Very low137 Ų137133.1 Ų133.163%0.63469%0.692SS**  cis162.3156.52.4-104.74.4000104.1
616H34.1Very low33.9Very low149 Ų149132.4 Ų132.469%0.6970%0.696SS**  cis-157.6-169.2-6.8-131.6-21.9000108.8
617P43.7Very low34Very low86 Ų86130.7 Ų130.756%0.55870%0.7SS**  -136.8169.8-114.648.8-32.9000119.1
618T35.9Very low34.2Very low106 Ų106127.9 Ų127.965%0.6570%0.698SS**  trans52155.9132.263.30000122.4
619Y35Very low34Very low169 Ų169124.7 Ų124.766%0.66370%0.695SS**  cis-175.4157.5-4.1-112.2-175.1000113
620R31.8Very low33.8Very low183 Ų183125.7 Ų125.769%0.69170%0.697SS**  trans54160.8135.3-62.1-174.8-174-152.49.6121.4
621L31.5Very low33.5Very low133 Ų133124 Ų12470%0.69670%0.697SS**  cis-157.9153.6-17.5-112.3175.2000113.2
622S31.3Very low33.3Very low98 Ų98122 Ų12269%0.68570%0.695SS**  trans5.2140.6153.362.20000125
623S32Very low33.2Very low117 Ų117121.5 Ų121.582%0.81870%0.697SS**  -161.8158.8116.758.60000114.7
624S32.6Very low32.9Very low107 Ų107118.2 Ų118.275%0.74870%0.701SS**  trans-44.8166.7173.835.80000119.2
625S32.1Very low32.7Very low102 Ų102119.4 Ų119.471%0.71372%0.72SS**  cis-172.2164.8-11.351.70000114
626S32.5Very low32.6Very low95 Ų95123.4 Ų123.466%0.66473%0.73SS**  trans57.8110.9141.960.80000124.4
627S32.3Very low32.5Very low105 Ų105122 Ų12273%0.73473%0.732SS**  70.3124.2124.965.70000125.6
628S32.6Very low31.9Very low102 Ų102123.6 Ų123.671%0.71374%0.74SS**  trans69.7108.9131.463.80000124.1
629S31.4Very low31.8Very low104 Ų104125.2 Ų125.273%0.72775%0.75SS**  trans67.9131131.157.40000124.3
630T30.4Very low31.7Very low128 Ų128121.2 Ų121.279%0.78575%0.747SS**  trans84.4124.3143.437.90000123.5
631S30.2Very low32Very low107 Ų107118.3 Ų118.375%0.74875%0.749SS**  trans83.3143.3142.440.30000124.3
632S33Very low32Very low100 Ų100120.3 Ų120.370%0.69975%0.752SS**  trans69.592.215141.60000122.5
633T31.4Very low32.1Very low127 Ų127122.8 Ų122.878%0.77975%0.753SS**  51.3122.6121.3520000123.2
634S29.5Very low32.1Very low110 Ų110127.1 Ų127.177%0.76975%0.751SS**  trans72.2105.9133.7-59.20000121.5
635C30.2Very low32.2Very low142 Ų142127.3 Ų127.396%0.95974%0.744SS**  -156.3-179119.4-107.20000112.4
636R31.2Very low32.1Very low222 Ų222128.4 Ų128.484%0.83874%0.742SS**  trans-121.1175.6-154.9-161.2-178.1-175.4-165.74.1113.1
637T32Very low32.2Very low120 Ų120130.7 Ų130.774%0.73675%0.745SS**  trans80.1144.2166.871.80000115.9
638T31.8Very low32.3Very low119 Ų119132.4 Ų132.473%0.7375%0.745SS**  cis-161.9168.2-0.20.60000112.4
639V33.7Very low32.4Very low139 Ų139135 Ų13584%0.84275%0.749SS**  trans70.9145.4150.6158.10000117.5
640S32.4Very low32.4Very low86 Ų86133.2 Ų133.260%0.60175%0.747SS**  cis-173.1131.5-16.7173.60000113.7
641T37.3Very low32.6Very low121 Ų121135.6 Ų135.674%0.74275%0.749SS**  trans51.2175.8151.671.10000120.2
642K33Very low32.7Very low175 Ų175136.8 Ų136.876%0.76175%0.747SS**  cis-162.1151.85.8-141.6159.3-175.3175.40111.5
643H33.2Very low32.7Very low151 Ų151139.1 Ų139.170%0.69975%0.746SS**  trans26.2164145.5-74.4-41.3000124.1
644R31.8Very low32.7Very low207 Ų207138.1 Ų138.178%0.78173%0.734SS**  cis-161.9143.66.2-128.2178.7172.9157.5-1.7112.8
645N33.2Very low33Very low111 Ų111138.1 Ų138.159%0.59473%0.725SS**  43.8126.9127.4-71.358000126.5
646D31.6Very low33Very low126 Ų126135.4 Ų135.467%0.67471%0.708SS**  96.5140116.4-63.4-8.2000126.4
647I34.7Very low33.1Very low143 Ų143128.8 Ų128.873%0.73369%0.686SS**  111.7124125-101.3166.1000123.2
648I34.1Very low33.1Very low141 Ų141128.3 Ų128.372%0.72368%0.679SS**  trans72.1148.2147.7-73.1178.5000120.7
649I34.3Very low33.1Very low156 Ų156128.3 Ų128.380%0.868%0.679SS**  cis-164.6157.3-26.1-104.7168.4000108.8
650G31Very low33.1Very low67 Ų67127.1 Ų127.169%0.69167%0.672SS**  trans168.7148.5163.400000115.3
651Q35.5Very low33Very low177 Ų177129.3 Ų129.383%0.82768%0.677SS**  trans-148.2167.4-170.5-73.3-171.1-22.900116.8
652N32.8Very low32.7Very low132 Ų132133 Ų13371%0.70669%0.686SS**  trans97.5141.3158.7-56.9-47.8000117.6
653H32.2Very low32.7Very low149 Ų149131.7 Ų131.769%0.6969%0.686SS**  cis-155.2174.36.6-144.4-153.2000115.1
654M31.6Very low32.6Very low106 Ų106132.5 Ų132.552%0.52269%0.69SS.*  trans79.4133.3154.5-79.4-63.3107.900124.3R473R473-M654 PolarHBondContact NH1-O 2.84Å
655L34.7Very low32.5Very low111 Ų111126.6 Ų126.658%0.58168%0.68SS**  trans61.1148.9151.5-60.5169.7000120.5H472 R473H472-L655 PolarHBondContact NE2-O 3.03Å; R473-L655 WeakPolarHBondContact CD-O 3.35Å; R473-L655 PolarHBondContact NE-O 3.25Å; R473-L655 PolarHBondContact NH1-O 3.01Å; R473-L655 VanDerWaalsContact NH1-O 3.14Å
656S31.9Very low32.3Very low84 Ų84128.2 Ų128.259%0.58769%0.689SS**  cis-159.5179.7-20.359.20000109.4R471R471-S656 PolarHBondContact NH1-O 2.91Å
657H32.5Very low32.2Very low83 Ų83132.1 Ų132.138%0.38470%0.695SS.*  trans-102.8148.4-155.3-105-81.4000118.1K470 R471K470-H657 WeakPolarHBondContact CE-CE1 3.42Å; K470-H657 PolarHBondContact NZ-CE1 3.05Å; K470-H657 PolarHBondContact NZ-NE2 3.21Å; K470-H657 VanDerWaalsContact NZ-NE2 3.11Å; R471-H657 VanDerWaalsContact CD-CE1 3.47Å; R471-H657 WeakPolarHBondContact CD-CE1 3.19Å; R471-H657 PolarHBondContact NE-CE1 2.98Å; R471-H657 VanDerWaalsContact NE-CE1 3.25Å; R471-H657 PolarHBondContact NE-ND1 2.94Å
658N31.3Very low31.9Very low111 Ų111134.7 Ų134.759%0.59470%0.696SS**  trans70.7161.5147-71.96.9000118.2
659T32.7Very low31.7Very low119 Ų119133.6 Ų133.673%0.7369%0.688SS**  cis-166.1159.8-8.120.30000107.2
660T32.7Very low31.4Very low113 Ų113133.3 Ų133.369%0.69368%0.683SS**  cis-165.3-177.3-9.6-169.70000109.8
661N31.6Very low31.6Very low132 Ų132137.9 Ų137.971%0.70669%0.69SS**  trans59.1108.7162.3-66.68.6000119.5
662Q30.5Very low31.1Very low200 Ų200137.7 Ų137.794%0.93569%0.688SS**  -145.7148.6112.6-111.8-18014.600110
663I33.5Very low31.3Very low146 Ų146139.1 Ų139.175%0.74970%0.696SS**  trans-128.8151.2-176-75176.3000108.3
664H31.5Very low31.6Very low169 Ų169138.1 Ų138.178%0.78270%0.699SS**  trans-10.3155.2160.2-79.9-105.8000118.6
665S29.8Very low32.2Very low83 Ų83138.6 Ų138.658%0.5871%0.711SS**  cis157.3127.7-16570000106.4
666N27.7Very low32.1Very low145 Ų145141.4 Ų141.478%0.77572%0.721SS**  trans62.7162.4166-65.5-17.5000119.7
667Y29.1Very low32.3Very low207 Ų207143.2 Ų143.281%0.81272%0.721SS**  trans66.3131.5-173.4-61.4-95.2000113.6
668R28.2Very low32.8Very low198 Ų198143.6 Ų143.675%0.74773%0.732SS**  cis74.985.941-168.1-133161.8142.5-7.5112
669E30Very low33.8Very low117 Ų117143.1 Ų143.155%0.54773%0.729SS.*  -173.6161.6102.1-93.1-157.4-179.400114.9
670Q28.8Very low35.2Very low151 Ų151140.9 Ų140.971%0.70672%0.715SS**  trans27.2125.3153.2-57-177.551.700121.5
671I34.3Very low37.5Very low163 Ų163140.2 Ų140.284%0.83671%0.707SS**  trans-130.3128.6143.6-67.9-177.1000108.5
672H26.5Very low39.3Very low172 Ų172138 Ų13880%0.79670%0.695SS**  trans-72.9138.1171-119.2-109.1000110.6
673L36.3Very low41.5Very low163 Ų163132.4 Ų132.485%0.85367%0.674SS**  trans-167.5146.3154.3-107.5160.2000110.9
674V38.3Very low43.1Very low127 Ų127130 Ų13077%0.7767%0.666SS**  trans-95.7145.2-177.9177.50000110.4
675P43.5Very low44.1Very low117 Ų117130 Ų13076%0.7667%0.671SS**  trans-126.6110.3153.333.1-18.8000113.2
676E34Very low45.9Very low170 Ų170129.4 Ų129.479%0.79468%0.679SS**  trans22.6125.2137-58.9178.4171.300120.1C678E676-C678 PolarHBondContact O-N 3.33Å; E676-C678 VanDerWaalsContact O-N 3.12Å
677M36.5Very low47.7Very low122 Ų122127.8 Ų127.860%0.60167%0.67SS**  trans-77.690.3168.9-177.1-175.567.900110.7I679 K692M677-I679 HydrophobicContact CE-CD1 4.17Å; M677-I679 HydrophobicContact CE-CG1 4.32Å; M677-I679 PolarHBondContact O-N 3Å; M677-I679 VanDerWaalsContact O-N 3.15Å; M677-K692 HydrophobicContact SD-CD 4.46Å; M677-K692 VanDerWaalsContact SD-CE 3.54Å
678C42.5Very low50.2Low91 Ų91121.1 Ų121.162%0.61565%0.65SS**  trans-66110.4174.2-59.70000111.4E676E676-C678 PolarHBondContact O-N 3.33Å; E676-C678 VanDerWaalsContact O-N 3.12Å
679I52.4Low52.4Low101 Ų101116.4 Ų116.452%0.51864%0.639SS.*EExtended strand (participates in β ladder)trans-87.4119.9161-58.4175.6000106.8M677M677-I679 HydrophobicContact CE-CD1 4.17Å; M677-I679 HydrophobicContact CE-CG1 4.32Å; M677-I679 PolarHBondContact O-N 3Å; M677-I679 VanDerWaalsContact O-N 3.15Å
680T61.9Low54.8Low71 Ų71114.5 Ų114.544%0.43664%0.639SS.*EExtended strand (participates in β ladder)trans-111.5107.6171.655.40000110.3I682 I691T680-I682 PolarHBondContact O-N 2.99Å; T680-I691 PolarHBondContact N-O 2.86Å; T680-I691 PolarHBondContact O-N 2.57Å
681D79.7Confident56.8Low99 Ų99110.8 Ų110.853%0.52962%0.623SS.*EExtended strand (participates in β ladder)trans-80.1106.7171.3-80.3-6.7000109.8T688 S690D681-T688 HydrophobicContact CB-CG2 3.58Å; D681-S690 WeakPolarHBondContact OD1-CA 3.41Å; D681-S690 WeakPolarHBondContact OD1-CB 3.23Å; D681-S690 PolarHBondContact OD1-OG 3.4Å
682I70.5Confident58.4Low87 Ų87109.2 Ų109.245%0.44661%0.61SS.*EExtended strand (participates in β ladder)trans-101.499.1177-56.1-177.8000108.6T680 V684 I689 I691T680-I682 PolarHBondContact O-N 2.99Å; I682-V684 HydrophobicContact CG2-CG2 4.25Å; I682-I689 PolarHBondContact N-O 2.96Å; I682-I689 PolarHBondContact O-N 2.71Å; I682-I691 HydrophobicContact CD1-CD1 3.9Å
683T77.1Confident59.7Low82 Ų82108.7 Ų108.750%0.50361%0.608SS.*EExtended strand (participates in β ladder)trans-85.1123.2173-44.60000111.2L687 T688T683-L687 WeakPolarHBondContact CA-O 3.31Å; T683-T688 PolarHBondContact OG1-OG1 2.86Å
684V67.4Low59.9Low95 Ų95106.1 Ų106.158%0.57660%0.602SS**EExtended strand (participates in β ladder)trans-127.9128.2168-177.50000108.3I682 G686 L687I682-V684 HydrophobicContact CG2-CG2 4.25Å; V684-G686 VanDerWaalsContact C-N 3.26Å; V684-G686 PolarHBondContact O-N 3.02Å; V684-L687 PolarHBondContact N-O 2.85Å; V684-L687 PolarHBondContact O-N 3.1Å
685N52.4Low60.2Low168 Ų168105.7 Ų105.790%0.89861%0.605SS**THydrogen-bonded Turntrans49.143.4-179.7-59.51.9000113.7L687N685-L687 VanDerWaalsContact C-N 3.28Å; N685-L687 PolarHBondContact O-N 3.48Å
686G67.6Low60.2Low71 Ų71103.4 Ų103.473%0.73260%0.602SS**THydrogen-bonded Turntrans81.5-9.5178.800000115.9V684V684-G686 VanDerWaalsContact C-N 3.26Å; V684-G686 PolarHBondContact O-N 3.02Å
687L63.5Low60.4Low112 Ų112102 Ų10259%0.58661%0.608SS**EExtended strand (participates in β ladder)trans-98.4114176.6-165.6153000110.1T683 V684 N685 I689T683-L687 WeakPolarHBondContact CA-O 3.31Å; V684-L687 PolarHBondContact N-O 2.85Å; V684-L687 PolarHBondContact O-N 3.1Å; N685-L687 VanDerWaalsContact C-N 3.28Å; N685-L687 PolarHBondContact O-N 3.48Å; L687-I689 HydrophobicContact CD2-CD1 4.26Å; L687-I689 HydrophobicContact CD2-CG1 3.62Å
688T82.9Confident60.4Low66 Ų6699.6 Ų99.641%0.40562%0.615SS.*EExtended strand (participates in β ladder)trans-85.9124.8176.2-57.90000110.8D681 T683D681-T688 HydrophobicContact CB-CG2 3.58Å; T683-T688 PolarHBondContact OG1-OG1 2.86Å
689I74.8Confident59.9Low100 Ų100103.1 Ų103.151%0.51363%0.628SS.*EExtended strand (participates in β ladder)trans-107.3104.7170.7-55.4179.2000108.1I682 L687 I691I682-I689 PolarHBondContact N-O 2.96Å; I682-I689 PolarHBondContact O-N 2.71Å; L687-I689 HydrophobicContact CD2-CD1 4.26Å; L687-I689 HydrophobicContact CD2-CG1 3.62Å; I689-I691 HydrophobicContact CG2-CG1 4.14Å; I689-I691 PolarHBondContact O-N 2.84Å
690S79.5Confident59Low77 Ų77107.2 Ų107.254%0.53864%0.642SS.*EExtended strand (participates in β ladder)trans-74.7106.1171-520000109.8D681D681-S690 WeakPolarHBondContact OD1-CA 3.41Å; D681-S690 WeakPolarHBondContact OD1-CB 3.23Å; D681-S690 PolarHBondContact OD1-OG 3.4Å
691I71Confident57.8Low72 Ų72114 Ų11437%0.36967%0.666SS.*EExtended strand (participates in β ladder)trans-88.5122.9174.4-56.3-178.7000108.8T680 I682 I689 E693T680-I691 PolarHBondContact N-O 2.86Å; T680-I691 PolarHBondContact O-N 2.57Å; I682-I691 HydrophobicContact CD1-CD1 3.9Å; I689-I691 HydrophobicContact CG2-CG1 4.14Å; I689-I691 PolarHBondContact O-N 2.84Å; I691-E693 HydrophobicContact CG2-CG 4.15Å
692K67.5Low55.5Low130 Ų130111.9 Ų111.957%0.56567%0.667SS**EExtended strand (participates in β ladder)trans-114.5102.2173-178.6173.3178.4168.70109.6M677 C694M677-K692 HydrophobicContact SD-CD 4.46Å; M677-K692 VanDerWaalsContact SD-CE 3.54Å; K692-C694 PolarHBondContact O-N 3.18Å
693E54.9Low53.8Low161 Ų161115.3 Ų115.375%0.75269%0.685SS**  trans-80.599.8176.4-65.5-163.4148.300111.1I691 S695I691-E693 HydrophobicContact CG2-CG 4.15Å; E693-S695 PolarHBondContact O-N 2.85Å
694C39.3Very low52Low110 Ų110116.6 Ų116.674%0.74370%0.695SS**  trans-79.393.3172.6-68.70000110.8K692K692-C694 PolarHBondContact O-N 3.18Å
695S44.2Very low50.4Low117 Ų117118.5 Ų118.582%0.81871%0.707SS**  trans-82.1116.7172.2-70.40000111.4E693E693-S695 PolarHBondContact O-N 2.85Å
696G44.3Very low49.5Very low69 Ų69116.3 Ų116.371%0.71170%0.704SS**  trans-142.2124.5177.200000112
697P38.1Very low48.1Very low140 Ų140121.4 Ų121.491%0.90971%0.709SS**  trans-93.4124.1-179.833.9-30.9000112.1
698G36.4Very low46.5Very low72 Ų72123.2 Ų123.274%0.74272%0.719SS**SBendtrans145.4141170.400000113.6F700G698-F700 PolarHBondContact O-N 3.06Å
699N32.4Very low44.1Very low166 Ų166125.1 Ų125.189%0.88873%0.73SS**  trans-79.8114.1177.3-58.2-43.4000110.2
700F34.3Very low42Very low187 Ų187127.5 Ų127.582%0.8274%0.739SS**  trans-161.4120.4148.9-131.5-93.7000112G698G698-F700 PolarHBondContact O-N 3.06Å
701F36.2Very low39.7Very low213 Ų213130.1 Ų130.193%0.93474%0.742SS**  trans-151.773162-104.5-67000109.5
702G31Very low37.8Very low54 Ų54133 Ų13356%0.55776%0.759SS**  trans-88.7133.5158.300000109
703I35.7Very low36.1Very low159 Ų159131.4 Ų131.482%0.81576%0.762SS**  trans-97134.6-179.6-57.4168.9000109.3
704P38.6Very low35Very low110 Ų110134.5 Ų134.571%0.71477%0.769SS**  trans-129.2125.1144.232-18.5000113.1
705T34.4Very low34.6Very low135 Ų135138.2 Ų138.283%0.82877%0.772SS**  trans17.6117.7146.352.80000119.9
706S32.7Very low34.1Very low121 Ų121139.4 Ų139.485%0.84677%0.769SS**  trans-104.3147.116053.90000111.8
707Q37.7Very low33.3Very low179 Ų179144.2 Ų144.284%0.83677%0.773SS**  trans-129.5150.5166.9-95.5-168.7-11.400110.1
708L30.7Very low33Very low150 Ų150147 Ų14779%0.78577%0.767SS**  trans64.3143.7177.8-81.177.2000117.6
709V32.2Very low32.9Very low105 Ų105149.6 Ų149.664%0.63676%0.763SS**  cis-164.3147.6-30.898.50000110.5
710Q30Very low32.7Very low151 Ų151146.8 Ų146.871%0.70675%0.752SS**  trans57.7155163.9-70.2168.5-62.900118.3
711H31.2Very low32.6Very low132 Ų132144.6 Ų144.661%0.61175%0.749SS**  cis-142.4144.1-8.5-128.5-52.7000110.8
712N32.7Very low32.3Very low133 Ų133138.1 Ų138.171%0.71173%0.73SS**  trans14.8156.5145.3-6211.8000121.5
713C30.8Very low32.4Very low95 Ų95141.8 Ų141.864%0.64274%0.736SS**  cis-152156.413.5-145.40000112.4
714Y32.3Very low32.5Very low226 Ų226140.7 Ų140.789%0.88673%0.733SS**  169.2108.6117.5-104.4-73.2000110.5
715K30.8Very low32.5Very low188 Ų188141.7 Ų141.782%0.81773%0.732SS**  trans-157.7104.8152.2-147.9171.2-171.8176.80113.4
716N33.6Very low32.7Very low142 Ų142142.4 Ų142.476%0.75973%0.731SS**  trans38.3108.2150.4-58.254.4000118.1
717E27.5Very low32.7Very low170 Ų170144.3 Ų144.379%0.79473%0.731SS**  -72.1151.9122.1-64.5-170.3131.100109.7
718Y32.7Very low32.4Very low198 Ų198142.4 Ų142.478%0.77673%0.727SS**  174.1114.8120.7-109.1-108.7000108.3
719I32.4Very low32.5Very low128 Ų128143.2 Ų143.266%0.65672%0.724SS**  48.8132.9113.5-64.4-165.5000117.8
720T29.5Very low32.4Very low107 Ų107143.3 Ų143.366%0.65673%0.725SS**  cis-166-164.4-13.236.60000106.8
721N31.5Very low32.4Very low141 Ų141142.4 Ų142.475%0.75473%0.73SS**  trans88.3136.9151.5-68.723.1000117.9
722S30.6Very low32.5Very low77 Ų77142.1 Ų142.154%0.53874%0.737SS.*  cis-171.3-179.7-17.739.70000109.9
723D33.2Very low32.7Very low130 Ų130140.9 Ų140.970%0.69574%0.735SS**  trans88.4144.4149.8-47.7-42.6000120.1
724D37.2Very low32.7Very low137 Ų137142.4 Ų142.473%0.73374%0.741SS**  trans64.4126.1164.6-43.8-19.8000119.1
725D38.6Very low32.7Very low130 Ų130137 Ų13770%0.69573%0.732SS**  cis-162.1164.3-5.2-105-27.6000112.5
726D39.2Very low32.9Very low151 Ų151135.2 Ų135.281%0.80773%0.729SS**  trans58.6117.9156.5-62.4-26.9000123.6
727D31.2Very low32.8Very low160 Ų160134.3 Ų134.386%0.85673%0.725SS**  trans-71.2152.5147.8-66.7-77.1000111
728D32.4Very low33Very low139 Ų139130.4 Ų130.474%0.74372%0.716SS**  -168.4161.6127.8-127.3-23.2000118.5
729F33.2Very low32.6Very low167 Ų167126.5 Ų126.573%0.73272%0.717SS**  trans46.592161.4-77.9-73.3000123.5
730T29Very low32.7Very low107 Ų107130.6 Ų130.666%0.65673%0.73SS**  -5.7159.8129.4630000122.6
731T31.4Very low33Very low132 Ų132133.7 Ų133.781%0.8174%0.739SS**  trans123.7165.5146.362.50000116.5
732V33.5Very low33.5Very low126 Ų126132 Ų13276%0.76474%0.736SS**  trans82.970.6-170.1-172.30000113.4
733T35Very low33.5Very low108 Ų108132.5 Ų132.566%0.66374%0.739SS**  75.1103.895.155.30000114.5
734T32.2Very low33.6Very low126 Ų126132 Ų13277%0.77374%0.741SS**  7414575.565.60000113.6
735V31.5Very low33.5Very low114 Ų114131 Ų13169%0.69174%0.74SS**  cis-163.3-166.7-1.7122.30000107.7
736I36.3Very low33.4Very low149 Ų149130.6 Ų130.676%0.76474%0.742SS**  trans90.6103.4171.2-48.1-175.5000112.7
737D30.9Very low33.2Very low123 Ų123128.2 Ų128.266%0.65873%0.733SS**  cis76.3141.646.5-69.5-67.7000115.3
738S30.8Very low33.4Very low89 Ų89125.9 Ų125.962%0.62272%0.724SS**  cis-160.7160.2-22.1-1190000110.3
739C26.1Very low33.4Very low116 Ų116124.1 Ų124.178%0.78472%0.719SS**  trans41.1106.2151.1-650000120.4
740K34.1Very low33.5Very low213 Ų213123.1 Ų123.193%0.92672%0.721SS**  trans-149.898.5130.4-119.6167.9-172.6173.60114
741M34.9Very low33.6Very low172 Ų172122.1 Ų122.185%0.84772%0.719SS**  trans-55.5158.6151-79.4-69.5171.700109.7
742P42.3Very low33.8Very low106 Ų106122 Ų12269%0.68872%0.718SS**  cis-154.6-178.347.740.3-17.1000120
743S30.6Very low33.9Very low87 Ų87120.3 Ų120.361%0.60871%0.712SS**  trans82.9137.8135.258.70000121.9
744T34.3Very low33.8Very low121 Ų121120.5 Ų120.574%0.74271%0.713SS**  trans69.3137.5148.150.90000118.1
745T35.7Very low33.9Very low114 Ų114121.3 Ų121.370%0.69971%0.711SS**  cis-167.2155.72.113.20000111.6
746V36.9Very low33.9Very low122 Ų122122.4 Ų122.474%0.73972%0.718SS**  trans65.3135.1138.8169.30000119.1
747T35.7Very low33.8Very low102 Ų102121.2 Ų121.263%0.62672%0.718SS**  cis-166.2169.6-26.242.10000108.1
748T35.7Very low34.4Very low110 Ų110120.2 Ų120.268%0.67572%0.718SS**  trans47.2145.2136.657.60000121.9
749T31.3Very low34.6Very low103 Ų103125.9 Ų125.963%0.63273%0.727SS**  cis174.6159.3-20.833.10000104.7
750N36.2Very low34.8Very low146 Ų146125.1 Ų125.178%0.78172%0.719SS**  trans66.6162.2162.1-56.8-19000114.7
751S30.6Very low34.7Very low86 Ų86122.9 Ų122.960%0.60171%0.714SS**  cis-169.1167.1-33.556.40000105.9
752T35.9Very low34.6Very low130 Ų130120.3 Ų120.380%0.79871%0.708SS**  trans60.7160.9161.743.80000115.5
753S34.6Very low34.4Very low90 Ų90121.4 Ų121.463%0.62971%0.713SS**  cis-161.3154.3-2946.60000108.1
754T33.6Very low34.9Very low111 Ų111122.6 Ų122.668%0.68172%0.719SS**  trans38.2116.3148.156.50000120.3
755I33.1Very low35Very low143 Ų143122.9 Ų122.973%0.73372%0.721SS**  56.599.5128.8-53164.8000116T757I755-T757 HydrophobicContact CG2-CG2 4.12Å; I755-T757 PolarHBondContact O-N 3.04Å
756T32.5Very low35.4Very low137 Ų137122.4 Ų122.484%0.8472%0.719SS**  trans-69.3111.7148360000109.7
757T33.3Very low35.3Very low125 Ų125123.9 Ų123.977%0.76772%0.722SS**  trans-81.5138.915146.90000108.7I755I755-T757 HydrophobicContact CG2-CG2 4.12Å; I755-T757 PolarHBondContact O-N 3.04Å
758P43.5Very low35.3Very low102 Ų102124.8 Ų124.866%0.66273%0.727SS**  trans-127.5135134.74.316.9000111.7
759Y35.1Very low35.3Very low207 Ų207125.2 Ų125.281%0.81273%0.729SS**  trans37.298.2146.2-61.7-82.1000117.9
760T31.2Very low35.5Very low100 Ų100130.8 Ų130.861%0.61374%0.739SS**  57.513684.668.80000115.4
761M32.4Very low35.3Very low167 Ų167129.6 Ų129.682%0.82374%0.737SS**  -154.4141.4108.5-107.4-60.9117.100110.9
762T31.3Very low35.6Very low118 Ų118133.6 Ų133.672%0.72475%0.75SS**PPolyproline II helixtrans-95.9167.5178.943.50000112
763T39.8Very low35.5Very low129 Ų129136.6 Ų136.679%0.79175%0.752SS**SBendtrans-46.1158163.343.40000114.1
764P40.2Very low36Very low111 Ų111137.3 Ų137.372%0.72176%0.755SS**PPolyproline II helixtrans-77.3147-157.330.4-37.9000116.3
765T37.4Very low35.9Very low128 Ų128139.5 Ų139.579%0.78576%0.762SS**  trans24148.2140.265.60000121.7
766P43.2Very low35.8Very low103 Ų103138 Ų13867%0.66976%0.763SS**  cis-140.7149.9-43.136.8-19.6000114.5
767I35Very low35.7Very low154 Ų154139.6 Ų139.679%0.7977%0.765SS**  trans70.3133148-61.9166.1000119.7
768T35.3Very low35.5Very low120 Ų120141.4 Ų141.474%0.73677%0.77SS**  trans74.612016342.20000123.6
769T35.4Very low35Very low119 Ų119144.2 Ų144.273%0.7378%0.778SS**  trans80.3113.8137.949.50000123.3
770R35.2Very low34.9Very low220 Ų220142 Ų14283%0.8377%0.773SS**  trans87.6100.4130.2-74.5-175.3176.5-168.4-0.3120.9
771T33.6Very low34.9Very low122 Ų122143.9 Ų143.975%0.74878%0.775SS**  83.9136.7123.7510000121.9
772I36.7Very low35Very low169 Ų169143.5 Ų143.587%0.86777%0.771SS**  trans85.7144.6164.3-62155.5000115.8
773K33.8Very low34.8Very low193 Ų193144.2 Ų144.284%0.83977%0.771SS**  trans-149.1178.2-157-114.5-176.7-178.5-1790106.3
774P44.2Very low34.5Very low106 Ų106146.3 Ų146.369%0.68878%0.776SS**  cis-131.5-168.3-19.939.2-22.6000111.7
775L32.2Very low34.1Very low157 Ų157145.5 Ų145.582%0.82277%0.773SS**  -155142.4128.5-107.6171.6000111.3
776C31.1Very low33.7Very low112 Ų112144.2 Ų144.276%0.75777%0.769SS**SBendtrans36.791.8164-64.20000120.9
777L29.7Very low33.3Very low170 Ų170145.3 Ų145.389%0.8977%0.774SS**  179.9117.1113.6-100.8171.8000111.4
778N30.3Very low33.2Very low163 Ų163145.2 Ų145.287%0.87277%0.773SS**  trans-168.9156.6147.7-127.3-48.5000113.1
779L31.1Very low33.2Very low160 Ų160144.1 Ų144.184%0.83877%0.766SS**  trans-137.5114.5171-102.1170.9000108.4
780K33.6Very low33.1Very low160 Ų160147 Ų14770%0.69677%0.769SS**  trans-174.9131.4145-108.8178.9178.1-68.40113
781E32.3Very low33Very low141 Ų141144.2 Ų144.266%0.65977%0.769SS**  31.7123.2129.4-61.9157.3-157.400117.5
782Q33.5Very low32.7Very low159 Ų159144.7 Ų144.774%0.74377%0.768SS**  -165161.157.3-80.9-163.311.400114.7
783N28.2Very low32.4Very low133 Ų133142.5 Ų142.571%0.71176%0.762SS**  trans38.1112.6143.3-65.7-42.6000121.1
784L33.4Very low32.2Very low172 Ų172138 Ų13890%0.90176%0.755SS**  -174.9141.2111.1-99.8163.3000111.9
785S32Very low31.8Very low95 Ų95140 Ų14066%0.66476%0.759SS**  trans39.8119.5167.8-141.90000118.9
786S27.3Very low31.7Very low101 Ų101137.5 Ų137.571%0.70674%0.743SS**  cis66.8152.937.5102.50000115
787V34.6Very low31.6Very low125 Ų125137.5 Ų137.576%0.75874%0.735SS**  trans81.4125.5-173.3-175.20000113.7
788I34.2Very low31.8Very low153 Ų153135.1 Ų135.179%0.78572%0.723SS**  cis-140.8162.7-8.6-128.5171.5000113.5
789T35.2Very low32Very low96 Ų96133.7 Ų133.759%0.58972%0.715SS**  trans-76.8157.2-170.253.10000118.3
790K32Very low31.8Very low179 Ų179130.6 Ų130.678%0.77870%0.703SS**  trans68.7157.6140.1-71.2166.5-175.6-176.10117
791L33.1Very low31.8Very low162 Ų162129.3 Ų129.385%0.84870%0.702SS**  cis-130.9142.921-95.690.8000115.3
792D28.2Very low31.7Very low133 Ų133128.7 Ų128.771%0.71170%0.703SS**  trans-65.2159.1147.3-56.5-77.1000111.3
793T31.5Very low31.3Very low122 Ų122127.4 Ų127.475%0.74870%0.701SS**  cis-163149.8-9.126.70000105.6
794S29.2Very low31.3Very low99 Ų99125 Ų12569%0.69270%0.695SS**  152.6170.591.5560000110.1
795I34.7Very low30.9Very low149 Ų149123.2 Ų123.276%0.76469%0.687SS**  trans69.6107.4165-57.1175.3000117.2
796E30.8Very low30.7Very low104 Ų104124.7 Ų124.749%0.48669%0.687SS.*  trans37.1166.2138.8-64.3-170.7116.200123.7I1484E796-I1484 HydrophobicContact CB-CD1 4.45Å
797D28.4Very low30.9Very low111 Ų111126.4 Ų126.459%0.59469%0.688SS**  trans83.8141.7167.1-90.6-23.6000121.5I1484D797-I1484 WeakPolarHBondContact OD1-CD1 3.49Å
798N33.6Very low30.8Very low120 Ų120126.5 Ų126.564%0.64268%0.683SS**  trans73.1122.8157.7-77.9-56.7000121
799L35.9Very low30.7Very low134 Ų134125.3 Ų125.370%0.70268%0.678SS**  trans70.9115.2140.9-58.1171.1000114.7
800T26.3Very low30.7Very low95 Ų95127.6 Ų127.658%0.58369%0.687SS**  43.4125.16582.60000110.8
801I32.8Very low30.8Very low133 Ų133124.7 Ų124.768%0.68268%0.679SS**  -171.8126.881.9-110.3154.2000106
802N29.9Very low30.8Very low127 Ų127122.2 Ų122.268%0.67967%0.671SS**  trans45.3125.6132.3-61.9-28.3000119.3
803N26.4Very low31.1Very low132 Ų132121.4 Ų121.471%0.70667%0.671SS**  64.1129.462.2-177.432.5000111.6
804S27.4Very low31.3Very low82 Ų82123.9 Ų123.957%0.57367%0.672SS**  trans56.7127.7159.863.60000117.2
805N26Very low31.5Very low136 Ų136125.4 Ų125.473%0.72767%0.672SS**  cis-175.1174.437.5-121.2-11.3000111.8
806N28Very low31.5Very low125 Ų125123.6 Ų123.667%0.66867%0.667SS**  trans53.9104.1148.7-59.3-6.2000119.4
807N31.7Very low31.7Very low137 Ų137125 Ų12573%0.73368%0.678SS**  178.3123.2100.5-89-19.1000111.2
808I31.4Very low32Very low128 Ų128126.1 Ų126.166%0.65668%0.684SS**  79.7114.694.4-67.8175.3000113.5
809N31.9Very low32.1Very low128 Ų128126.4 Ų126.468%0.68469%0.69SS**  trans61149.1160.6-56.1-3.7000116.8L811N809-L811 HydrophobicContact CB-CD1 4.18Å
810D35.9Very low32Very low144 Ų144127.6 Ų127.677%0.7770%0.697SS**  cis-119.7142.323.7-82-40.3000113
811L33.9Very low32.3Very low117 Ų117130.1 Ų130.161%0.61371%0.706SS**  90.2109.558.6-10676.1000114.7N809N809-L811 HydrophobicContact CB-CD1 4.18Å
812T32.8Very low32.4Very low110 Ų110128.2 Ų128.268%0.67570%0.704SS**  40.2145.5123.664.30000120.9
813T33.9Very low32.6Very low116 Ų116128.1 Ų128.171%0.71270%0.703SS**  cis-169.3165.51260000106.9
814K35.8Very low32.8Very low175 Ų175128.1 Ų128.176%0.76170%0.702SS**  -172.5144.871.7-93.5-170.4179.6176.80115.5
815N33.5Very low33.1Very low131 Ų131132.1 Ų132.170%0.70171%0.709SS**  trans93106139-73.921.1000122.3
816V35.5Very low33.3Very low110 Ų110134.2 Ų134.267%0.66771%0.714SS**  85.8106.5124.5178.40000118.1
817D33.9Very low33.4Very low134 Ų134131.3 Ų131.372%0.71771%0.714SS**  trans62.5138.8144.2-56.25.5000120
818N35.2Very low33.3Very low135 Ų135132.4 Ų132.472%0.72272%0.72SS**  cis-149.7142.34.4-127.7-24.3000114
819V36.1Very low33.3Very low125 Ų125132.5 Ų132.576%0.75873%0.726SS**  trans28.4117163.5-174.20000120.2
820N33.2Very low33.3Very low160 Ų160132 Ų13286%0.85673%0.727SS**  trans-140.5146139.8-145.7-10.8000108.1
821L33.8Very low33Very low147 Ų147130.2 Ų130.277%0.7773%0.726SS**  trans-150.8107.7-174.4-158.469000107.9
822C34.9Very low33Very low94 Ų94130.9 Ų130.964%0.63573%0.729SS**  65.9136.183.4-72.50000113.2
823D32.4Very low33Very low124 Ų124130.7 Ų130.766%0.66372%0.724SS**  cis-152.6153.70.4-93.3-30000108.2
824I31.5Very low33.1Very low132 Ų132130.3 Ų130.368%0.67772%0.717SS**  cis86.7122.848.1-68-176.9000114.7
825K33.2Very low32.9Very low166 Ų166127.9 Ų127.972%0.72271%0.713SS**  trans87.1122.9161.2-76163.1-171.6170.60123.4
826Q31.5Very low33.1Very low180 Ų180126.5 Ų126.584%0.84171%0.706SS**  59.5147.2125.5-61.7164-30.100120.9
827G28.8Very low33.1Very low64 Ų64128.5 Ų128.566%0.6671%0.709SS**  cis162.5154.6-7.600000114.7
828N29.2Very low33Very low161 Ų161128.6 Ų128.686%0.86171%0.709SS**  trans95.7129.9174.8-55.6-13.9000117.1
829V31.9Very low32.8Very low129 Ų129125.5 Ų125.578%0.78269%0.69SS**  cis95.4134.222.41780000112.7
830V31.5Very low32.5Very low117 Ų117127.4 Ų127.471%0.70969%0.688SS**  cis-98.5-144.917.4-144.60000114.6I832V830-I832 HydrophobicContact CG1-CD1 4.24Å; V830-I832 HydrophobicContact CG1-CG1 4.24Å
831S31.3Very low32.2Very low107 Ų107129.7 Ų129.775%0.74869%0.686SS**  cis-143.6166.719.7-67.30000110.3
832I33Very low32Very low131 Ų131128.9 Ų128.967%0.67269%0.686SS**  cis79.810932.8-60.5-178.7000112.8V830V830-I832 HydrophobicContact CG1-CD1 4.24Å; V830-I832 HydrophobicContact CG1-CG1 4.24Å
833D33.5Very low31.8Very low106 Ų106133.6 Ų133.657%0.56770%0.696SS**  cis-162.4166.211.8-111.7-2000110.5
834N34.3Very low31.8Very low108 Ų108136.3 Ų136.358%0.57870%0.702SS**  cis-165.9-159.5-18.9-149.5-64.9000109.6
835D33.3Very low31.7Very low124 Ų124136.2 Ų136.266%0.66370%0.703SS**  trans79.177154.9-83.1-45.5000123.5
836N37.1Very low31.5Very low103 Ų103133.2 Ų133.255%0.55170%0.703SS**  78.2108.8111.6-81-42.3000125.5
837M34.9Very low31.3Very low151 Ų151132.1 Ų132.174%0.74470%0.702SS**  94.5108.2116.3-71.2-81.7164.500124.3
838I32.6Very low31.2Very low137 Ų137133.3 Ų133.370%0.70370%0.701SS**  104.8142.5125.4-87.4171.5000122.3
839Q29.7Very low31.2Very low69 Ų69132.6 Ų132.632%0.32269%0.692SS.*  trans-79.3-178.1-174.4-46.6178.7-1.500112.2A1468Q839-A1468 PolarHBondContact NE2-O 3.47Å
840K30.5Very low31.1Very low166 Ų166135.9 Ų135.972%0.72269%0.692SS**  cis-166.7154.334.2-151.3165.6-169.6176.50114.1
841Y27.4Very low31Very low208 Ų208134.1 Ų134.182%0.81669%0.689SS**  trans-75.3159.6173.8-97.4-99.2000113.7
842V29.7Very low30.8Very low129 Ų129136.3 Ų136.378%0.78269%0.693SS**  168124.9110.7156.40000111.5
843K29.9Very low30.8Very low194 Ų194137.3 Ų137.384%0.84369%0.694SS**  trans-165.6108137-118.7176.1-177.2175.60114.9
844K32.5Very low30.7Very low180 Ų180138.4 Ų138.478%0.78370%0.701SS**  trans52139.8134.1-83.3-164172.3-166.20123.8
845N29.6Very low30.8Very low130 Ų130139.6 Ų139.670%0.69571%0.711SS**  trans89.296144.1-71.321.3000120.9
846S28.7Very low30.9Very low103 Ų103137.8 Ų137.872%0.7271%0.714SS**  60.6136110.4-49.90000123.5
847L27.7Very low31.3Very low157 Ų157137.9 Ų137.982%0.82272%0.72SS**  trans83.8116.3151.9-106.575.3000120.1
848S27.2Very low31.1Very low90 Ų90138.1 Ų138.163%0.62972%0.724SS**  54.3142.1125.868.40000120.6
849Q28.5Very low31.3Very low146 Ų146139.1 Ų139.168%0.68273%0.726SS**  cis-171.4164.813.9-137169.3-15.800112.2
850Y29.6Very low31.4Very low197 Ų197142.9 Ų142.977%0.77374%0.744SS**  trans60.5132.9170.5-64.1-79.5000117.7
851A29.5Very low31.6Very low80 Ų80143 Ų14366%0.66175%0.747SS**  cis87.5153.82100000115.1
852D28.5Very low31.9Very low153 Ų153140.2 Ų140.282%0.81875%0.746SS**  cis-117.9-109.29.6-156.4-115.3000115.6
853E32Very low31.9Very low152 Ų152139.7 Ų139.771%0.7175%0.747SS**  cis-167154.75.4-164.1-170.8-9600111.6
854N31.7Very low31.9Very low130 Ų130137.5 Ų137.570%0.69574%0.743SS**  trans78.9138.1171.2-54.5-69.8000117.3
855V37.3Very low31.7Very low132 Ų132136.6 Ų136.680%0.875%0.746SS**  cis-146.5124.824.1175.50000114
856A33.9Very low31.6Very low87 Ų87140.9 Ų140.972%0.71975%0.754SS**  trans61172.6144.700000123
857P45.9Very low32.5Very low104 Ų104141 Ų14168%0.67575%0.753SS**  -140.5166.5-59.940.9-25.6000117.1
858D31.8Very low32.7Very low156 Ų156139 Ų13983%0.83475%0.747SS**  trans52.4145.5150.4-58.9-25.4000122.1
859Q35.1Very low32.8Very low158 Ų158141.3 Ų141.374%0.73875%0.752SS**  cis-145156.431.7-72.7-171.40.600115.4
860Q32.7Very low32.9Very low149 Ų149142.3 Ų142.370%0.69676%0.757SS**  trans65.6141.4154.6-69174.555.200118
861Q35.3Very low33.1Very low168 Ų168138.1 Ų138.179%0.78576%0.756SS**  cis-150.4159.87.4-140.5159.410.800114.4
862N31.7Very low33.2Very low149 Ų149141.7 Ų141.780%0.79776%0.764SS**  trans-51.8165.2179.1-76.2-17.3000116.7
863C30.2Very low33.8Very low119 Ų119138.7 Ų138.780%0.80475%0.753SS**  cis-156.2175.310.4-135.70000114.2
864I30Very low33.7Very low148 Ų148138 Ų13876%0.75975%0.754SS**  trans-103.7155.7173.9-62.7165.4000109.7
865N28.8Very low33.9Very low161 Ų161139.6 Ų139.686%0.86176%0.76SS**  trans-155.3152.2153-114.5-26.8000116.2
866Y28.3Very low33.6Very low219 Ų219137.5 Ų137.586%0.85975%0.751SS**  trans-113.5-178.5165.5-105.5-62000107.5
867P46.2Very low33.2Very low107 Ų107140.7 Ų140.770%0.69576%0.756SS**  trans-119-175.3-139.935.2-16.3000116.4
868V32.2Very low32.5Very low115 Ų115143.3 Ų143.370%0.69776%0.763SS**  trans116.6105.7155.1-177.80000116.6
869N29.6Very low32.4Very low138 Ų138141.3 Ų141.374%0.73876%0.762SS**  trans66155.8151.4-63-5000119.2
870Q30.9Very low32.1Very low167 Ų167141.4 Ų141.478%0.7877%0.766SS**  cis-154.9179.18.7-141.2165.32300113.1
871S34.3Very low32.1Very low109 Ų109142.6 Ų142.676%0.76277%0.771SS**  trans75.3151.1170.179.50000117.2
872N30Very low31.8Very low154 Ų154138.6 Ų138.682%0.82476%0.762SS**  cis-178.1173.3-37.6-118.523.7000106.4
873P41.7Very low31.8Very low90 Ų90138.8 Ų138.858%0.58476%0.761SS**  cis-128.2-168-3.343.2-27.1000113.6
874D31Very low31.7Very low137 Ų137138.1 Ų138.173%0.73376%0.758SS**  trans64.5145.6153.9-61.6-18.1000119.9
875M34.4Very low32.1Very low165 Ų165136.2 Ų136.281%0.81376%0.756SS**  cis-150.2169.1-7-120.9-66.8-176.700110.3
876S31.1Very low32.2Very low88 Ų88134.1 Ų134.162%0.61575%0.748SS**  trans-105.4146.3-175.257.30000114.5
877D26.6Very low32.4Very low154 Ų154129.5 Ų129.582%0.82475%0.748SS**  trans65.7153.7145.1-96.6-42000122.3
878L30.9Very low31.6Very low158 Ų158130.7 Ų130.783%0.82775%0.747SS**  trans75.1149.5155.2-74.9165.8000123.1
879S30Very low31.5Very low115 Ų115130 Ų13080%0.80475%0.748SS**  trans84.6124.5159.573.90000119.4
880L28.4Very low31.6Very low159 Ų159128.4 Ų128.483%0.83275%0.747SS**  trans-77.1142.8161.6-50.2101.4000108.7
881H32Very low32Very low174 Ų174126.6 Ų126.681%0.80675%0.75SS**  -173.1117.5118.3-109.3-75.5000114.3
882S29.1Very low31.8Very low85 Ų85127.9 Ų127.959%0.59475%0.748SS**  trans38.7146.9134.360.80000123.5
883I32.8Very low31.9Very low152 Ų152128 Ų12878%0.77975%0.747SS**  trans79.495.5167-52149.8000112.4
884S28.2Very low31.5Very low105 Ų105129.2 Ų129.273%0.73475%0.753SS**  68.9104.160.3-51.10000115.4
885P37.4Very low31.7Very low109 Ų109128.2 Ų128.271%0.70876%0.757SS**  -100.5134.7128.932.9-29000108.8
886V31.4Very low31.7Very low116 Ų116125.5 Ų125.570%0.70375%0.754SS**  59.475.468.1-173.50000111.1I888V886-I888 HydrophobicContact CG1-CB 4.08Å; V886-I888 HydrophobicContact CG1-CD1 3.96Å; V886-I888 HydrophobicContact CG1-CG1 3.89Å; V886-I888 PolarHBondContact O-N 3.18Å
887S32.9Very low31.8Very low123 Ų123126.9 Ų126.986%0.8676%0.764SS**  trans-93.970.2165.4-55.30000109.5
888I29.8Very low32.7Very low131 Ų131125.6 Ų125.667%0.67276%0.764SS**  trans-109.5105.1-177.1-65.2-176.5000110.8V886V886-I888 HydrophobicContact CG1-CB 4.08Å; V886-I888 HydrophobicContact CG1-CD1 3.96Å; V886-I888 HydrophobicContact CG1-CG1 3.89Å; V886-I888 PolarHBondContact O-N 3.18Å
889S29.9Very low32.7Very low102 Ų102124.9 Ų124.971%0.71376%0.761SS**  trans66.7138.8142.7-54.30000122.7
890S30.5Very low33Very low104 Ų104124.4 Ų124.473%0.72775%0.753SS**  trans76148.9154.5-58.30000117.1
891P39.7Very low33Very low128 Ų128124 Ų12483%0.83175%0.749SS**  cis-80173.35.133.6-36.2000113.6
892L30.8Very low32.9Very low137 Ų137120.7 Ų120.772%0.71775%0.745SS**  cis156.5103.2-22.8176.373.4000104.9
893L30.6Very low32.9Very low155 Ų155121.9 Ų121.981%0.81275%0.753SS**  trans66.7140.3168.9-57.6168.1000116.4
894T34.7Very low32.9Very low116 Ų116122 Ų12271%0.71275%0.753SS**  cis-134138.415.847.40000113.6
895S34.8Very low32.9Very low116 Ų116122.6 Ų122.681%0.81175%0.752SS**  trans70.2174.9174.7-16.60000114.6
896S34.6Very low32.5Very low108 Ų108124.5 Ų124.576%0.75576%0.755SS**  cis-174.6165.2-22.838.40000107.2
897S33.3Very low32.5Very low117 Ų117125.5 Ų125.582%0.81876%0.762SS**  cis-159165-21.8-880000108.3
898P45.3Very low32.4Very low128 Ų128124.8 Ų124.883%0.83176%0.756SS**  trans-124.7169.2-151.243.3-33.5000119.2
899D31.3Very low32.4Very low143 Ų143126.3 Ų126.377%0.76577%0.765SS**  trans-167.7159.1156.1-165.350.4000108.5
900T35.6Very low32.7Very low104 Ų104126.4 Ų126.464%0.63876%0.764SS**  cis-116.9-106.2-4.9-22.30000111.1
901M28.8Very low32.7Very low151 Ų151126.2 Ų126.274%0.74476%0.762SS**  cis-163.7160.9-6-131.5-37.6154.800112.7
902C28.8Very low32.4Very low105 Ų105125.5 Ų125.571%0.70976%0.76SS**  trans55.5114.2158.8-70.60000121.6
903S29Very low32.2Very low110 Ų110123.9 Ų123.977%0.76976%0.76SS**  172.3140.1117.6-82.30000117.6
904I32.6Very low32.6Very low153 Ų153122.1 Ų122.179%0.78576%0.758SS**  trans79.6106.5142.1-65.2166.8000122.9
905V30.1Very low32.2Very low118 Ų118124.5 Ų124.572%0.71576%0.761SS**  53.7111.1125.9-1710000123.6
906I28Very low32.1Very low149 Ų149125.8 Ų125.876%0.76476%0.756SS**  trans44.6108.8139.4-47.4168.6000120.3
907T32Very low31.8Very low138 Ų138127 Ų12785%0.84775%0.754SS**  -168.3177116.2130000112.8
908S31.1Very low31.7Very low107 Ų107127.5 Ų127.575%0.74875%0.748SS**  trans-52.8157-171.247.50000119.8
909L29.2Very low31.1Very low163 Ų163128.1 Ų128.185%0.85374%0.743SS**  trans-18.2155.4152.7-85.272.3000117.3
910P36.2Very low31.1Very low105 Ų105130.3 Ų130.368%0.68275%0.749SS**  cis-145.7175.329.638.6-18.1000119
911S30.6Very low30.9Very low100 Ų100131.1 Ų131.170%0.69975%0.748SS**  trans68.4147.5141.859.50000123.2
912S32.7Very low31.1Very low113 Ų113128.5 Ų128.579%0.7975%0.745SS**  trans83.8130.2161.1-26.40000118.8
913S27.9Very low31.2Very low103 Ų103129.2 Ų129.272%0.7275%0.746SS**  trans-58.4158.6158.947.20000112.1
914P37.6Very low31.4Very low117 Ų117130.4 Ų130.476%0.7674%0.743SS**  cis-113.4165.839.410.513.9000113.8
915E26.9Very low31.4Very low167 Ų167131.8 Ų131.878%0.7874%0.739SS**  cis82.9143.530.6-156.3-176.6-129.400115.1
916M33Very low31.5Very low143 Ų143133 Ų13370%0.70474%0.737SS**  trans72130177-63.5-145.1-8200117.1
917N28.5Very low31.7Very low134 Ų134134 Ų13472%0.71774%0.739SS**  cis106.816528.9-77.2-25.8000111.8
918N31.4Very low31.7Very low127 Ų127132.5 Ų132.568%0.67973%0.729SS**  trans79.6155.4179.9-41.5-64.6000113.3
919L32.5Very low31.7Very low141 Ų141135.7 Ų135.774%0.73873%0.732SS**  cis-137.4114.816.7-68.6155.2000112.6L921L919-L921 HydrophobicContact CB-CD1 3.84Å; L919-L921 HydrophobicContact CD2-CD1 3.52Å; L919-L921 HydrophobicContact CG-CD1 4.26Å
920Q31.2Very low32Very low188 Ų188133.1 Ų133.188%0.87972%0.724SS**SBend-139.810799-73.6-151-61.200106.3
921L31.2Very low31.8Very low121 Ų121132.6 Ų132.663%0.63472%0.723SS**  60.8125.193.3-81.586.6000111.8L919L919-L921 HydrophobicContact CB-CD1 3.84Å; L919-L921 HydrophobicContact CD2-CD1 3.52Å; L919-L921 HydrophobicContact CG-CD1 4.26Å
922S32.1Very low32Very low96 Ų96132.8 Ų132.867%0.67172%0.724SS**  cis-156.1133.421.758.80000114
923T32.1Very low32.1Very low120 Ų120132.9 Ų132.974%0.73672%0.72SS**  27143.6126.4620000120
924I32.4Very low32.3Very low135 Ų135133.6 Ų133.669%0.69272%0.72SS**  cis-168.6151.616.7-121.9166.5000112
925Y32.7Very low32.1Very low183 Ų183135.4 Ų135.472%0.71872%0.722SS**  trans74.6143.5152.1-84-137.5000125
926E32.3Very low32.2Very low144 Ų144133.1 Ų133.167%0.67372%0.724SS**  trans56.1120.3146.5-75.4161.3-17000120.3
927E31.3Very low31.9Very low169 Ų169131.5 Ų131.579%0.7973%0.727SS**  71.6142.198.2-69-166.5-174.900114.6
928T33.1Very low32Very low106 Ų106131 Ų13165%0.6573%0.728SS**  cis-156.8158.22.14.40000109.3
929E31.2Very low32Very low174 Ų174130.9 Ų130.981%0.81373%0.732SS**  trans61.3168.6154.6-68.8-174.1-166.300118.7
930T35.4Very low31.8Very low110 Ų110128.9 Ų128.968%0.67573%0.73SS**  cis-147.8154.2-14.35.60000111.5
931S32.5Very low31.8Very low94 Ų94126 Ų12666%0.65772%0.724SS**  trans49.9126.3147.665.10000124.4
932S33.3Very low31.8Very low103 Ų103127 Ų12772%0.7273%0.726SS**  trans75148.6132.879.70000119.7
933T35.4Very low31.8Very low115 Ų115128.3 Ų128.371%0.70673%0.725SS**  cis-157.1135.9-1.5-4.40000111.5
934T33.2Very low31.6Very low118 Ų118130 Ų13072%0.72473%0.725SS**  trans44.8141.3142.157.10000122
935I32.9Very low31.6Very low156 Ų156130.7 Ų130.780%0.873%0.725SS**  cis-152.6148.42.4-118.1156.1000109.5
936S27.9Very low31.5Very low118 Ų118130 Ų13083%0.82573%0.726SS**  trans-109.6167.5172.2-770000111.8
937S27.8Very low31.5Very low109 Ų109129.8 Ų129.876%0.76273%0.728SS**  trans-93.317517052.30000111.6
938V31Very low31.7Very low124 Ų124129.1 Ų129.175%0.75273%0.725SS**  trans98.1103.1162.8-172.60000118.2
939V31.2Very low31.7Very low124 Ų124130.2 Ų130.275%0.75273%0.726SS**  trans81.3107.9139.8174.20000122.4
940S28.5Very low31.8Very low100 Ų100129.2 Ų129.270%0.69972%0.722SS**  53.2135.6125.9-49.40000125.9
941V31.4Very low31.8Very low126 Ų126130 Ų13076%0.76473%0.726SS**  trans71.7133134.7164.80000117.2
942E30.4Very low31.9Very low144 Ų144132 Ų13267%0.67373%0.729SS**  cis-166.8164.6-0.8-124.2175.5-137.800111.3
943N31Very low32.1Very low122 Ų122134 Ų13465%0.65273%0.729SS**  trans64.5153.1156-53.2-27.1000118.5
944E29.5Very low32Very low155 Ų155136.4 Ų136.472%0.72473%0.733SS**  cis-157.4158.6-7.1-130.8179.3-153.600112.8
945H32.1Very low32Very low150 Ų150135.5 Ų135.569%0.69473%0.731SS**  trans60.5106.5147.6-87.9-41.4000126.3
946K31.3Very low31.7Very low168 Ų168133.7 Ų133.773%0.7373%0.731SS**  96.6137.7106.3-131.7-166.3175.8-175.30122.4
947I31.8Very low31.8Very low141 Ų141134.1 Ų134.172%0.72373%0.734SS**  trans62.2143.9166.211.7-175.2000115.7
948E34.4Very low32.2Very low155 Ų155135.3 Ų135.372%0.72474%0.737SS**  cis-142.9159.720.2-62.8-173.914400115
949N33Very low32.6Very low128 Ų128135.3 Ų135.368%0.68474%0.74SS**  trans57.3149.8144.8-59.5-9000121.2
950E33.9Very low32.5Very low154 Ų154136.5 Ų136.572%0.7274%0.742SS**  cis-161.7145.7-4.7-125.9-176.3166.100112.8
951T34.5Very low33.2Very low125 Ų125136.6 Ų136.677%0.76774%0.74SS**  trans63.8160.116073.30000118.4
952I36.2Very low33.3Very low137 Ų137136.9 Ų136.970%0.70374%0.742SS**  cis-139.4129.912.5-72.7178.9000110.5
953I36.9Very low33.4Very low144 Ų144133.7 Ų133.774%0.73874%0.741SS**  trans53133.8151.2-61.4170.6000120.4
954E33.9Very low33.6Very low167 Ų167135.1 Ų135.178%0.7875%0.746SS**  cis-157.7168.1-13.1-114.4179.7155.800112.5
955S32Very low33.8Very low98 Ų98136.7 Ų136.769%0.68575%0.751SS**  trans-58.5151.1175.735.10000115.5
956C26.4Very low33.8Very low118 Ų118134 Ų13480%0.79775%0.749SS**  cis73.3102.743.5-65.70000116.4
957S29.9Very low33.9Very low128 Ų128134 Ų13490%0.89575%0.751SS**  trans164.5157.7132.2-75.20000114.8
958T36.6Very low34Very low134 Ų134133.5 Ų133.582%0.82275%0.75SS**  trans-80.4167.7173.243.70000111.8
959P39.9Very low33.8Very low124 Ų124134 Ų13481%0.80575%0.753SS**  cis-150.4-170.939.643.6-20.7000119.4
960N28.3Very low33.6Very low149 Ų149134 Ų13480%0.79775%0.752SS**  trans-52161.6168.1-118-18.5000113.4
961P43.4Very low33.2Very low101 Ų101132.2 Ų132.266%0.65675%0.752SS**  -153.71775042.9-22.3000119.5
962T33.2Very low33Very low133 Ų133133 Ų13382%0.81675%0.75SS**  trans64.5150154.745.90000119.8
963A33.7Very low32.9Very low77 Ų77133.5 Ų133.564%0.63675%0.752SS**  cis-168.6165.2-15.100000112.5
964I34.1Very low33.1Very low151 Ų151132 Ų13277%0.77475%0.752SS**  trans75.7126.2154.3-68.8155000119.9
965K34.6Very low32.8Very low189 Ų189128.7 Ų128.782%0.82275%0.747SS**  trans19.3152.6139.5-54.6-178.7-178.3-177.70121.2
966S32.5Very low32.8Very low93 Ų93129.9 Ų129.965%0.6575%0.75SS**  cis-178.1154.8-10.348.30000111.2
967E33.4Very low33.1Very low168 Ų168129.4 Ų129.479%0.78575%0.748SS**  trans70136.7155.6-75.5177.2-140.200122.4
968N33.8Very low33.3Very low130 Ų130128.1 Ų128.170%0.69574%0.74SS**  trans63.7118.5144.6-56.5-14.8000124.6
969E29.7Very low33.3Very low167 Ų167128.6 Ų128.678%0.7874%0.736SS**  trans78143.3133-85.4-166.6122.500125.3
970L29Very low33.1Very low127 Ų127130 Ų13067%0.66574%0.735SS**  trans71.186.1144.4-71.1164.2000123.1
971T26Very low33.5Very low116 Ų116128.3 Ų128.371%0.71273%0.729SS**  73.1169.4122.154.80000123.2
972I30.2Very low33Very low142 Ų142129.3 Ų129.373%0.72873%0.729SS**  trans79.899.8166.6-50.5180000114.8
973I33.8Very low33Very low147 Ų147129.3 Ų129.375%0.75473%0.725SS**  67104.559.8-53.5170.2000113.8
974P40.7Very low33Very low114 Ų114131.6 Ų131.674%0.7473%0.731SS**  -136.9146.6115.610.612.7000113.3
975S28.6Very low33Very low97 Ų97129.1 Ų129.168%0.67873%0.726SS**  79.314063-53.50000113.1
976T32Very low33.1Very low122 Ų122127 Ų12775%0.74873%0.729SS**  cis-167.7175.37.43.10000112.8
977S32Very low33.7Very low108 Ų108128.3 Ų128.376%0.75574%0.736SS**  trans71.8143.9149.544.50000120.6
978S33.2Very low33.5Very low102 Ų102125 Ų12571%0.71373%0.731SS**  cis-170.3179.7-8.147.20000112.8
979I37.2Very low33.3Very low144 Ų144123.6 Ų123.674%0.73873%0.731SS**  trans107.5104155.4-65.4171.8000119.1
980I35.5Very low33.3Very low153 Ų153123.3 Ų123.379%0.78573%0.734SS**  trans69.2129.4140.2-69.2-179.9000118.9
981V36.7Very low33.5Very low113 Ų113122.5 Ų122.569%0.68574%0.739SS**  cis-162.3153.7-2102.70000115.1
982N34.1Very low33.8Very low123 Ų123121.7 Ų121.766%0.65874%0.744SS**  trans63.2119.4157.3-69.44.4000125.3
983N32.1Very low34.3Very low133 Ų133120.1 Ų120.171%0.71174%0.743SS**  trans72.6139.1130.6-58.42.9000119.7
984T34.2Very low34.3Very low125 Ų125118.8 Ų118.877%0.76775%0.747SS**  cis-172.3167.1-6.319.40000106.7
985S33.3Very low34Very low98 Ų98119 Ų11969%0.68575%0.751SS**  cis-168.4121.8-10430000106.1
986V37.5Very low34.2Very low145 Ų145118.9 Ų118.988%0.87975%0.75SS**  88.9136.475.1165.20000113.9
987P43.8Very low34.4Very low121 Ų121118.7 Ų118.779%0.78675%0.749SS**  trans-132.8-107.2-143.739.6-17.4000116.6
988S30.3Very low34.5Very low99 Ų99118.7 Ų118.769%0.69275%0.749SS**  trans-85.3143.5-147.9-42.50000118.5
989S30.4Very low34.4Very low99 Ų99122.5 Ų122.569%0.69276%0.755SS**  trans64.5129.113661.70000123.4
990L29.7Very low34.3Very low162 Ų162122.2 Ų122.285%0.84875%0.754SS**  trans71.5110.8151.8-90.580.7000121
991S32.6Very low34.1Very low109 Ų109120.5 Ų120.576%0.76275%0.751SS**  154.7107.4107.4-67.10000116
992A31.6Very low34Very low99 Ų99122.7 Ų122.782%0.81876%0.757SS**  trans40.8178.9142.800000122.5
993P41.7Very low34Very low110 Ų110121.5 Ų121.571%0.71476%0.759SS**  cis-130.4175.6-19.740.9-26.2000115.2
994S32.1Very low34.1Very low119 Ų119119.3 Ų119.383%0.83275%0.754SS**  trans68.6145.7157.5750000118.4
995S34.8Very low34.1Very low117 Ų117121.4 Ų121.482%0.81876%0.755SS**  cis-142.1-164.38.555.30000109.4
996S34.4Very low34.1Very low95 Ų95121 Ų12166%0.66475%0.752SS**  cis-156.1-158.81367.30000112.5
997T35.1Very low33.9Very low119 Ų119122.6 Ų122.673%0.7375%0.75SS**  trans-14.5137.1157.752.10000117.4
998S33.4Very low33.4Very low107 Ų107121.5 Ų121.575%0.74875%0.745SS**  cis176.2153.85.1420000109.6
999E32.1Very low33.6Very low182 Ų182121.7 Ų121.785%0.8575%0.746SS**  cis-173.1-152.9-21-151.5-159.190.300108.9
1000I34Very low33.8Very low139 Ų139122.2 Ų122.271%0.71375%0.75SS**  trans71.6101164.2-72.6175.2000119.3
1001V32.7Very low34Very low117 Ų117120.2 Ų120.271%0.70975%0.749SS**  trans81.2108.6132.8174.30000121.3
1002L33.9Very low33.9Very low158 Ų158119.7 Ų119.783%0.82775%0.746SS**  trans54.9139.4146.5-53.6170.8000119.2
1003S34Very low34.1Very low98 Ų98124.6 Ų124.669%0.68575%0.749SS**  cis-178.2166.3-4.6-96.30000109.2
1004S34.6Very low33.5Very low88 Ų88127.2 Ų127.262%0.61575%0.754SS**  cis-175178.3-28.167.60000110.4
1005H34.2Very low33.6Very low169 Ų169129.3 Ų129.378%0.78276%0.755SS**  trans65.860.3158.4-68.686.2000122.8
1006S33.5Very low33.3Very low89 Ų89127.7 Ų127.762%0.62275%0.749SS**  34.1121.5111.168.10000124.4
1007Q33.5Very low33.2Very low179 Ų179127.7 Ų127.784%0.83675%0.754SS**  69.4112.2114.4-67.4179-4.800125
1008S33.2Very low33.4Very low98 Ų98128.4 Ų128.469%0.68576%0.759SS**  43.6123.2120.667.70000125.6
1009S34.8Very low33.5Very low102 Ų102130 Ų13071%0.71375%0.754SS**  73107.7127.2670000124.3
1010S34.4Very low33.6Very low110 Ų110124.9 Ų124.977%0.76974%0.743SS**  88.8105.7120.2-59.30000123.5
1011S32.7Very low33.7Very low120 Ų120124.7 Ų124.784%0.83974%0.742SS**  trans74.9150.5147.285.60000117.8
1012S31.4Very low34Very low99 Ų99125.9 Ų125.969%0.69274%0.742SS**  cis-157-179.81-152.50000112.6
1013F34.9Very low34.3Very low201 Ų201126.8 Ų126.888%0.88274%0.739SS**  trans75.3172.7173.3-70.7-78.6000118.6
1014M30.7Very low34.4Very low166 Ų166127.4 Ų127.482%0.81874%0.743SS**  trans-140.4169.2-145.7-95-89.5-75.800114
1015L33Very low34.3Very low162 Ų162128 Ų12885%0.84875%0.747SS**  trans77149.9177.4-62.4110000117.1
1016A29.9Very low34.4Very low84 Ų84126.9 Ų126.969%0.69475%0.746SS**  cis-174.3162.6-29.500000109.8
1017A32.4Very low34.5Very low94 Ų94129.1 Ų129.178%0.77775%0.751SS**  trans69.6134.5174.100000116.2
1018T37.5Very low34.6Very low134 Ų134125.4 Ų125.482%0.82275%0.745SS**  cis-159.3166.1-0.411.40000108.8
1019E35.8Very low35.2Very low141 Ų141126.2 Ų126.266%0.65975%0.748SS**  cis-105.9-971.7-156.2-161.2132.300111.9
1020A34.6Very low35.2Very low75 Ų75127 Ų12762%0.6275%0.754SS**  cis57.1175.3-7.300000117
1021I36.2Very low35.1Very low135 Ų135127.3 Ų127.369%0.69276%0.756SS**  cis-132.7156.26.810.5175.3000109.3
1022M39.2Very low35.9Very low141 Ų141127.9 Ų127.970%0.69576%0.756SS**SBendcis-137161.713.2-109.2-159.8-66.300112.4
1023K39.5Very low36.3Very low178 Ų178126.6 Ų126.677%0.77476%0.759SS**  trans43.2123.3154-64.1172.4-177.5171.20119.2
1024S36.4Very low36.4Very low111 Ų111125.1 Ų125.178%0.77676%0.759SS**  cis171.5157.5-9.234.70000108.8
1025S33.4Very low36.6Very low99 Ų99124.1 Ų124.169%0.69276%0.756SS**  cis-178167.3-22.6-170.10000108.2
1026L34.8Very low36.7Very low147 Ų147123.8 Ų123.877%0.7776%0.755SS**  trans69.3151.5171.6-44.1178.1000115.3
1027N35.3Very low37Very low136 Ų136124.9 Ų124.973%0.72776%0.755SS**  cis-170.2168.4-12.1-107.6-14.4000107.5
1028S36.2Very low37.2Very low101 Ų101126.6 Ų126.671%0.70676%0.758SS**  cis-168.9163.3-33.8-96.40000109.5
1029P45.9Very low36.8Very low115 Ų115131.9 Ų131.975%0.74776%0.763SS**  trans-120.6174-155.642.1-32.3000117.2
1030S34.8Very low36.6Very low118 Ų118136.2 Ų136.283%0.82577%0.773SS**  trans158.8160.4133.7-70.70000116
1031S33.5Very low36.5Very low116 Ų116136.8 Ų136.881%0.81177%0.773SS**  trans-130.2-160.9-179.3-44.90000110.1
1032P48Very low36.3Very low132 Ų132136.4 Ų136.486%0.85778%0.782SS**  cis-133.6-173.3-18.941.4-23.8000114.5
1033G39.6Very low36.4Very low72 Ų72134.9 Ų134.974%0.74278%0.781SS**  trans177.184.5168.500000121.2
1034L36.8Very low36.6Very low171 Ų171131.6 Ų131.690%0.89578%0.778SS**  trans48.9139.3148.4-68.8175.4000125.2
1035L36.2Very low36.4Very low144 Ų144132.9 Ų132.975%0.75478%0.775SS**  trans75.394.7154.2-66.9168.3000122.3
1036L35.7Very low36.3Very low155 Ų155135.1 Ų135.181%0.81277%0.774SS**  42.8143.3128.6-65.1169.4000122.2
1037P35.6Very low36.3Very low108 Ų108135.8 Ų135.870%0.70177%0.773SS**  cis-134.4135.7-48.235-18.2000112.8
1038P36.7Very low36.1Very low130 Ų130134.8 Ų134.884%0.84478%0.777SS**  trans-93.4117.6-174.833.6-32.6000114.7
1039R28.4Very low36.4Very low245 Ų245135.6 Ų135.693%0.92578%0.779SS**  trans-73111.6138.7-84.8-177.5170.1-173-2.4107.6
1040R32.5Very low36.1Very low231 Ų231135.2 Ų135.287%0.87278%0.777SS**  trans-168.9149.4150.2-110.4154.9-164.7-82.71.4115.1
1041S33Very low35.9Very low88 Ų88139.5 Ų139.562%0.61578%0.776SS**  trans-64.4150.2168.750.50000114T1043S1041-T1043 PolarHBondContact O-N 3.34Å; S1041-T1043 VanDerWaalsContact O-N 3.12Å
1042S30.9Very low36Very low126 Ų126139.5 Ų139.588%0.88177%0.766SS**  trans-71.593.6161.834.60000112.2
1043T42Very low35.2Very low109 Ų109139.3 Ų139.367%0.66977%0.765SS**  trans-100.3-167.2138.863.80000105.6S1041S1041-T1043 PolarHBondContact O-N 3.34Å; S1041-T1043 VanDerWaalsContact O-N 3.12Å
1044P42.2Very low34.9Very low110 Ų110143.4 Ų143.471%0.71477%0.765SS**  cis-124.8-160.715.322.96.3000111.4
1045I32.9Very low34.5Very low138 Ų138142.3 Ų142.371%0.70876%0.759SS**  -170.7150.150.4-85.5-177.5000105.4
1046E32Very low34.3Very low145 Ų145140.5 Ų140.568%0.67876%0.758SS**  cis-148175.116-146148.9-152.200114.8
1047H35.1Very low34.2Very low162 Ų162141.2 Ų141.275%0.7576%0.755SS**  trans68.6154.3162.7-65.6-47.5000119.3
1048S31.1Very low34.2Very low115 Ų115139 Ų13980%0.80474%0.736SS**  trans-148.8173.6-146.6-82.70000110.4
1049P42.4Very low34Very low117 Ų117136.8 Ų136.876%0.7672%0.718SS**  trans-87.5-168.4-157.341.9-39.9000111.3
1050P38.8Very low34.2Very low107 Ų107128.1 Ų128.170%0.69570%0.695SS**  cis-137.3-175.76.143.7-26.6000115.8
1051Y31.5Very low34.1Very low208 Ų208121.2 Ų121.282%0.81668%0.681SS**  -159.4168.1122-128.8-105.8000114.5
1052I34.3Very low34.1Very low116 Ų116124.8 Ų124.860%0.59569%0.685SS**  trans-68.2143.9-171.6-70.5151000113.5Q1054I1052-Q1054 HydrophobicContact CG2-CG 4.41Å; I1052-Q1054 PolarHBondContact O-N 3.02Å
1053P31.8Very low34.3Very low128 Ų128127.6 Ų127.683%0.83168%0.682SS**  trans-76.7115.5168.931.1-33.3000111.7
1054Q33.4Very low33.9Very low159 Ų159126.8 Ų126.874%0.74368%0.68SS**  trans-121.1122.6166.1-86.5-110.5-5.400110.3I1052I1052-Q1054 HydrophobicContact CG2-CG 4.41Å; I1052-Q1054 PolarHBondContact O-N 3.02Å
1055L29.1Very low33.3Very low148 Ų148129 Ų12978%0.77569%0.686SS**  trans37.2142.9140.6-79.7153.6000121.6
1056S32Very low33.3Very low105 Ų105129.5 Ų129.573%0.73469%0.69SS**  trans73.3142.4166.986.90000115.1
1057F33.5Very low33.2Very low171 Ų171128.2 Ų128.275%0.7569%0.687SS**  cis-163.1143.1-23.8-123.4-38.2000108
1058I34Very low32.9Very low60 Ų60128 Ų12831%0.30869%0.687SS.*  trans76.9103145.7-50.5162.5000119T1154 A1156I1058-T1154 HydrophobicContact CG2-CG2 3.77Å; I1058-A1156 HydrophobicContact CD1-CB 4.07Å
1059N32.9Very low32.7Very low85 Ų85128.5 Ų128.546%0.45569%0.685SS.*  41.5140.7125.1-50.9-20.4000123.2T1154N1059-T1154 VanDerWaalsContact CB-OG1 3.29Å; N1059-T1154 WeakPolarHBondContact CB-OG1 3.35Å; N1059-T1154 PolarHBondContact O-OG1 2.94Å
1060S32.7Very low32Very low63 Ų63128.2 Ų128.244%0.44168%0.684SS.*  43.3141.8124.9-56.50000121.4T1153 T1154S1060-T1153 WeakPolarHBondContact CB-O 3.16Å; S1060-T1153 PolarHBondContact OG-OG1 2.73Å; S1060-T1154 PolarHBondContact O-OG1 3.09Å
1061C29.7Very low31.5Very low85 Ų85131.3 Ų131.357%0.57469%0.69SS**  cis-171159.76.6-124.80000111.4T1152C1061-T1152 HydrophobicContact CB-CG2 3.99Å
1062K33.3Very low31.6Very low164 Ų164125.7 Ų125.771%0.71368%0.681SS**  trans72.1159.5172.8-49.4156.2-177.4167.70112.6
1063K35.6Very low31.8Very low185 Ų185129.4 Ų129.480%0.80469%0.692SS**  cis-150.3153.74.1-148.2-178.3179.9-169.70110.6
1064S33.2Very low31.9Very low91 Ų91128.5 Ų128.564%0.63669%0.689SS**  trans35.8108.3150.854.30000120.8
1065N29.8Very low32.5Very low156 Ų156125.8 Ų125.883%0.83469%0.685SS**  36.3144.9124.9-74.722.8000123.1
1066L32.5Very low33.6Very low150 Ų150124.3 Ų124.379%0.78569%0.685SS**  trans84104.4159.1-69.6166.7000117.6
1067N29.9Very low33.9Very low117 Ų117127.4 Ų127.463%0.62669%0.688SS**  trans54124.9139.4-64.147.6000120.8
1068E28.9Very low33.9Very low158 Ų158125.2 Ų125.274%0.73868%0.683SS**  37120.2120-49.5166.5132.900116.3
1069T27.8Very low34.1Very low125 Ų125129.4 Ų129.477%0.76770%0.701SS**  -169.6160.769.622.80000112.8
1070C27.6Very low34.3Very low111 Ų111131.8 Ų131.875%0.7571%0.714SS**  trans70.9162.6150-730000118.4
1071E29.1Very low34.4Very low173 Ų173134.3 Ų134.381%0.80873%0.727SS**  cis-145.8161.216.4-156.8159-129.300117.2
1072S33.3Very low34.6Very low90 Ų90135.7 Ų135.763%0.62973%0.733SS**  trans92.7126.215389.40000115.6
1073K37.3Very low34.6Very low193 Ų193134.8 Ų134.884%0.83973%0.734SS**  cis-147145.914-64.7170.7-173.61720112.6
1074S35.2Very low34.4Very low109 Ų109132.3 Ų132.376%0.76273%0.729SS**  cis-162.3-47.5-27.334.10000115.9
1075P45.8Very low34.5Very low102 Ų102135.4 Ų135.466%0.66273%0.733SS**  trans-124.8165.9-159.234.6-16.1000115.9
1076P50.6Low34.6Very low117 Ų117133.2 Ų133.276%0.7673%0.725SS**  cis-109.6154.216.19.714.9000114.5
1077Q38.3Very low34.6Very low171 Ų171132.5 Ų132.580%0.79972%0.722SS**  58.5135.978.1-63.8-170.1-3.800115.1
1078L34.4Very low34.8Very low124 Ų124135.2 Ų135.265%0.64973%0.731SS**  cis-162.5163.65.9-122169.3000111.8
1079H39.1Very low35.1Very low148 Ų148134.2 Ų134.269%0.68574%0.736SS**  trans65148.3169.3-64.6-66.2000118.4
1080D35.8Very low35.3Very low135 Ų135135.1 Ų135.172%0.72274%0.736SS**  cis-155.8-176.9-7.9-116.5-1.7000113.3
1081T35.1Very low35.5Very low117 Ų117136.9 Ų136.972%0.71874%0.738SS**  trans-142.7154.5-159.457.10000112.9
1082T33.6Very low35.6Very low114 Ų114135.6 Ų135.670%0.69974%0.737SS**  cis-171.3164.66.610.10000113.2
1083I33.2Very low35.6Very low144 Ų144138.9 Ų138.974%0.73875%0.748SS**  trans64.2118.2151.4-58.9152000120.1
1084L32.7Very low35.3Very low133 Ų133136.7 Ų136.770%0.69675%0.75SS**  172.4134.5119.7-96.5-172.7000113.8
1085H33.5Very low35.1Very low157 Ų157136.8 Ų136.873%0.72775%0.749SS**  trans59.4150.8161.2-56.5127.9000118.3
1086T33.6Very low34.4Very low109 Ų109140.6 Ų140.667%0.66976%0.756SS**  cis-160.4156.7-12.313.40000110.8
1087N31.8Very low33.5Very low136 Ų136141.1 Ų141.173%0.72775%0.751SS**  trans73.1136.3153.2-65.1-21.8000122.1
1088Q34Very low33.4Very low174 Ų174140.5 Ų140.581%0.81375%0.753SS**  trans65.9132.1148.1-71.617410.700119.8
1089T34.6Very low33.3Very low137 Ų137142 Ų14284%0.8476%0.761SS**  cis-153.2167.4-20.6-18.40000109.5
1090N33.1Very low33.5Very low144 Ų144140 Ų14077%0.7776%0.761SS**  trans-110.4159.2-153.8-130.1-34.6000117.6
1091N32.4Very low33.5Very low147 Ų147140.8 Ų140.879%0.78676%0.764SS**  trans-28.4161.2170.8-76.7-74.9000121.5
1092N31.2Very low33.5Very low146 Ų146140.8 Ų140.878%0.78176%0.764SS**  trans-57.5138.5160.9-72.9-56.9000113.2
1093N31.8Very low33.5Very low160 Ų160140.5 Ų140.586%0.85677%0.767SS**  174.1159.3118.2-90.4-51000111
1094V31.9Very low33.7Very low146 Ų146139.3 Ų139.389%0.88577%0.767SS**  trans-139.4139.1-163178.50000111.5
1095C30.6Very low33.7Very low111 Ų111139.8 Ų139.875%0.7577%0.77SS**  cis-171152.2-25.31780000106.2
1096K31.1Very low33.9Very low183 Ų183138.5 Ų138.580%0.79677%0.773SS**  trans-156.4121.3167.2-110.9-178.8179.8177.60115.8
1097I31.2Very low33.9Very low128 Ų128139.4 Ų139.466%0.65677%0.774SS**  trans66.7100142.8-59.1158.6000118.2
1098N37.1Very low34.2Very low157 Ų157139.3 Ų139.384%0.8477%0.772SS**  -169.4160102.8-101.6-33.7000112.3
1099N32.6Very low34.3Very low156 Ų156137 Ų13783%0.83477%0.765SS**  trans-106.2160.4-173.4-102.111000110.8
1100P42.6Very low34.4Very low105 Ų105134.3 Ų134.368%0.68275%0.748SS**  -154.6173.662.243.6-23.8000119.4
1101I34.7Very low34.6Very low152 Ų152132.4 Ų132.478%0.77974%0.737SS**  trans67.7126152.2-73.5158.7000116.5
1102T35.5Very low34.7Very low117 Ų117128.3 Ų128.372%0.71872%0.724SS**  cis-154.8159.97.51.70000112.6
1103S34.3Very low35Very low108 Ų108127.6 Ų127.676%0.75573%0.725SS**  trans56130.2151.754.50000120.8
1104T37.8Very low35Very low120 Ų120125.1 Ų125.174%0.73672%0.719SS**  cis-149.5141-1.246.70000112.4
1105N32.7Very low35.1Very low142 Ų142125.3 Ų125.376%0.75971%0.714SS**  trans27.3147.3136.9-50.9-3.6000122.1
1106T36.9Very low35.2Very low130 Ų130124.5 Ų124.580%0.79871%0.709SS**  cis177.1165.4-24.136.60000107.9
1107D33.5Very low35.2Very low128 Ų128123.4 Ų123.468%0.68471%0.71SS**  cis-174.4168.4-48.3-161.50.2000108.5
1108I37.9Very low35.1Very low135 Ų135122 Ų12269%0.69271%0.711SS**  trans61134.8150.2-79.9156.3000120.7
1109N37Very low34.8Very low124 Ų124123.6 Ų123.666%0.66371%0.71SS**  cis-167171.9-25.4-133.9-53.3000113.1
1110T36Very low35.2Very low81 Ų81122 Ų12250%0.49771%0.709SS.*  trans-42.4176.5169.156.70000118.9
1111I38.1Very low34.7Very low104 Ų104124.8 Ų124.853%0.53372%0.716SS.*  cis-145.3-141.84.6-132.5155.3000113.8K1320I1111-K1320 PolarHBondContact O-NZ 3.4Å
1112A35.1Very low35.2Very low61 Ų61122.2 Ų122.250%0.50471%0.71SS.*  trans-122.9-174.4-14600000119.7
1113T36.5Very low35Very low131 Ų131122.4 Ų122.480%0.80471%0.711SS**  trans77.3102.6153.643.50000124.6
1114C32.6Very low34.9Very low109 Ų109125.3 Ų125.374%0.73672%0.717SS**  74.5116.7117.5-64.90000126.6
1115I33.9Very low34.7Very low150 Ų150123.3 Ų123.377%0.76971%0.713SS**  86.2108.3123.6-63171.4000122
1116S31.6Very low34.8Very low93 Ų93123.9 Ų123.965%0.6571%0.714SS**  trans56.1116.2140.781.60000125.9
1117I32Very low34.6Very low160 Ų160124.7 Ų124.782%0.82171%0.713SS**  79.6137121.1-66.4172.4000121.6
1118C29.4Very low34.6Very low99 Ų99124.2 Ų124.267%0.66972%0.715SS**  trans91.592.5157-91.90000123.2
1119K30.9Very low34.2Very low191 Ų191123.5 Ų123.583%0.8372%0.717SS**  trans69.8-178.2140.6-52.3178.4-177.71750115.6
1120P40.7Very low33.9Very low123 Ų123123.2 Ų123.280%0.79972%0.72SS**  -124.3179.5-83.239.4-25.3000116.1
1121L32.3Very low33.8Very low162 Ų162125.6 Ų125.685%0.84874%0.735SS**  trans-37.9168.8168-99.771000117.3
1122P44.3Very low33.5Very low98 Ų98125 Ų12564%0.63675%0.746SS**  cis-140.5171.87.330-6.9000117.6
1123T32.1Very low33.5Very low121 Ų121133 Ų13374%0.74276%0.764SS**  168.5138.6106.736.20000114.3
1124L32.6Very low33.4Very low170 Ų170131 Ų13189%0.8976%0.756SS**  trans53.4137.2152.7-62.6161.8000119.4
1125A32.7Very low33.4Very low77 Ų77132 Ų13264%0.63675%0.754SS**  cis-157.3150.2-8.700000106.2
1126I34.8Very low33.3Very low155 Ų155131.3 Ų131.380%0.79575%0.752SS**  52.7116.963.9-56.5178.7000110.4
1127N32.4Very low33.4Very low146 Ų146133.9 Ų133.978%0.78176%0.759SS**  cis-146.6-176.722.5-138.94.1000114.8
1128T33.9Very low33.3Very low118 Ų118131.1 Ų131.172%0.72475%0.754SS**  trans-78.9166.7-175.548.60000116.8
1129T30.5Very low33.3Very low120 Ų120133.6 Ų133.674%0.73676%0.76SS**  trans-22.7160.4159.856.50000117.7
1130T30.7Very low33.2Very low118 Ų118129.8 Ų129.872%0.72476%0.757SS**  cis-163.2179.744.9-340000113.1
1131T33.3Very low33.1Very low131 Ų131129.2 Ų129.280%0.80475%0.754SS**  trans62.8101.2164.957.40000119.1
1132A32.4Very low33.1Very low93 Ų93131.3 Ų131.377%0.76975%0.75SS**  -179.8132.5100.800000113.4
1133Y33.5Very low32.6Very low227 Ų227135.9 Ų135.989%0.8976%0.76SS**  trans41.5108.6153.5-78.9-96.3000123
1134S34Very low32.7Very low90 Ų90136 Ų13663%0.62976%0.761SS**  89.7125.4113.6-157.20000122.2
1135N33.9Very low32.7Very low129 Ų129134.8 Ų134.869%0.6976%0.755SS**  trans64.4103.5143.8-66.14.6000122.1
1136N32.5Very low32.7Very low136 Ų136135 Ų13573%0.72775%0.748SS**  70.4141.1120.9-59-10.7000122
1137N31.8Very low32.7Very low148 Ų148135.6 Ų135.679%0.79175%0.752SS**  trans68.1113.4154.4-64.9-10.8000120.4
1138S29.8Very low32.6Very low102 Ų102137.3 Ų137.371%0.71375%0.753SS**  trans77.6150.7137.677.80000120.6
1139N31.5Very low32.8Very low151 Ų151137.2 Ų137.281%0.80775%0.754SS**  trans60.384.5152.6-59.7-18.2000119.5
1140S28.3Very low32.8Very low110 Ų110135.8 Ų135.877%0.76975%0.749SS**  trans-57.6155.7135.1177.10000111
1141P38.8Very low33.1Very low112 Ų112136.9 Ų136.973%0.72775%0.749SS**  cis-130.2168.4-23.433.1-16.8000113.5
1142R31.6Very low33.2Very low206 Ų206134.6 Ų134.678%0.77773%0.734SS**  trans-153.8109.9148.7-120.9176.1-171.8-172.44.4114
1143K33.1Very low33.2Very low194 Ų194134.1 Ų134.184%0.84372%0.722SS**  trans-109.3148.2139.3-108.4-174.6177.5-178.80107.9
1144T33.9Very low33.3Very low122 Ų122127.3 Ų127.375%0.74870%0.704SS**SBendtrans51.392.716849.80000117.7
1145L33.5Very low33.3Very low146 Ų146126.9 Ų126.976%0.76470%0.698SS**  64.9105.6127.8-62.1166.3000119.7
1146T33.4Very low33.3Very low81 Ų81123.6 Ų123.650%0.49769%0.689SS.*  -1.4129.5117.645.10000115.8
1147L33.9Very low33.4Very low168 Ų168125 Ų12588%0.8870%0.695SS**  cis-143161.721.6-91.5136.7000113.3
1148K30.2Very low33.5Very low182 Ų182122.5 Ų122.579%0.79170%0.695SS**  trans-106.9169167.9-98.6-178.4179.81780108.4
1149P38.1Very low33.7Very low116 Ų116122 Ų12275%0.75370%0.696SS**  cis-1391582639.4-20000119.5
1150S31.2Very low33.9Very low89 Ų89120 Ų12062%0.62270%0.695SS**  trans-5137.9145.2-37.70000120.3
1151I35.8Very low34.2Very low142 Ų142119.8 Ų119.873%0.72869%0.693SS**  177.5141.8110-92.9158.9000112.2
1152T35.5Very low34.1Very low82 Ų82119.7 Ų119.750%0.50370%0.695SS.*  trans35.3126.4169.745.60000121.4C1061 T1154C1061-T1152 HydrophobicContact CB-CG2 3.99Å; T1152-T1154 PolarHBondContact O-N 3.4Å
1153T32.2Very low34.2Very low84 Ų84116.6 Ų116.652%0.51570%0.699SS.*  trans-48.9126.114331.10000111.7S1060S1060-T1153 WeakPolarHBondContact CB-O 3.16Å; S1060-T1153 PolarHBondContact OG-OG1 2.73Å
1154T35.8Very low34.1Very low84 Ų84118.3 Ų118.352%0.51570%0.7SS.*  trans-169.3123.2135.7-89.30000108.3I1058 N1059 S1060 T1152I1058-T1154 HydrophobicContact CG2-CG2 3.77Å; N1059-T1154 VanDerWaalsContact CB-OG1 3.29Å; N1059-T1154 WeakPolarHBondContact CB-OG1 3.35Å; N1059-T1154 PolarHBondContact O-OG1 2.94Å; S1060-T1154 PolarHBondContact O-OG1 3.09Å; T1152-T1154 PolarHBondContact O-N 3.4Å
1155T35.7Very low33.9Very low81 Ų81119.1 Ų119.150%0.49770%0.7SS.*  trans-85.4171-171.6163.30000108.6
1156A32.4Very low33.8Very low60 Ų60124 Ų12450%0.49671%0.708SS.*  cis-142.6158.115.800000112.5I1058I1058-A1156 HydrophobicContact CD1-CB 4.07Å
1157I35.1Very low34Very low166 Ų166125.3 Ų125.385%0.85172%0.718SS**  -178.7144.1120.6-93.7156.3000109.6
1158A33.9Very low33.7Very low95 Ų95126 Ų12679%0.78572%0.719SS**  trans69.8151.3169.300000120.5
1159A34.6Very low33.7Very low90 Ų90121 Ų12174%0.74471%0.711SS**  trans72.2109.5161.500000122
1160S34.9Very low33.4Very low111 Ų111121.1 Ų121.178%0.77671%0.71SS**  trans80125.1139.967.70000122.6
1161S35.8Very low33.5Very low104 Ų104123.7 Ų123.773%0.72772%0.715SS**  trans28.2107.6148.953.40000119.8
1162S35.7Very low33.3Very low110 Ų110126.4 Ų126.477%0.76972%0.722SS**  cis91.8112.149.373.60000115.7
1163T32.8Very low33.1Very low142 Ų142126.2 Ų126.287%0.87174%0.737SS**  trans-128100.3153.844.30000110.1
1164R32.3Very low33.1Very low230 Ų230130.5 Ų130.587%0.86875%0.751SS**  trans-171.4138.4156.3-112.9169.2-175.2-1741.5113.2
1165N29.5Very low32.8Very low139 Ų139131.3 Ų131.374%0.74376%0.756SS**  trans14.1133.1143.6-47.7-5.7000119.2
1166R31.4Very low32.6Very low249 Ų249137.6 Ų137.694%0.9477%0.77SS**  -164.3166.6106.6-103.3170.5177.8-168.6-1.5112.2
1167P36.6Very low32.6Very low108 Ų108140.4 Ų140.470%0.70178%0.777SS**  trans-114.3-177.1-158.344.3-38.3000115.1
1168M28.3Very low32.5Very low181 Ų181143.8 Ų143.889%0.89278%0.779SS**  trans68.8136.7163.3-65.4-68.3-16300116.3
1169A31.1Very low32.4Very low77 Ų77142.3 Ų142.364%0.63677%0.773SS**  cis-164.4-175.6-7.700000111.5
1170T31.3Very low32.6Very low120 Ų120144 Ų14474%0.73677%0.774SS**  trans104.187.2145.6-49.30000119.4
1171I32.6Very low32.7Very low142 Ų142144.8 Ų144.873%0.72877%0.774SS**  trans82.7114.5131.5-65.7178.9000121.4
1172F31.7Very low32.5Very low200 Ų200144.7 Ų144.788%0.87777%0.774SS**  trans34.8149138.7-68-102000123.3
1173G31.5Very low32.4Very low78 Ų78145.5 Ų145.580%0.80477%0.774SS**  trans-178.82616600000120
1174Q31.4Very low32.4Very low174 Ų174146.2 Ų146.281%0.81377%0.765SS**  trans-39.1136.2-175.1-81-168.69.500119.7
1175V31.3Very low32.5Very low101 Ų101144.6 Ų144.661%0.61276%0.76SS**  84114.9126.7171.20000121.7
1176R31Very low32.7Very low213 Ų213142.6 Ų142.680%0.80476%0.757SS**  trans81.9121.4142.6-79.3170.5-168.4159.92124
1177N32.6Very low32.8Very low118 Ų118136.1 Ų136.163%0.63175%0.745SS**  85.5113.7121.9-75.2-16.4000123.8
1178R32.8Very low32.7Very low237 Ų237138 Ų13889%0.89475%0.75SS**  78.7128.4122-67178176.6-165.8-3.8121.7
1179G31.3Very low33Very low64 Ų64135.7 Ų135.766%0.6675%0.745SS**  trans147.2104.3161.600000109
1180T38.2Very low33.1Very low127 Ų127135.2 Ų135.278%0.77975%0.749SS**  cis62.4122.744.576.50000114.7
1181T36.8Very low33.3Very low126 Ų126136.2 Ų136.277%0.77375%0.754SS**  cis-175.2158.7-9.425.90000110.1
1182S32.8Very low33.4Very low103 Ų103136 Ų13672%0.7275%0.754SS**  trans95.9134.9134.7-115.60000123.4
1183V34.2Very low33.6Very low127 Ų127133.5 Ų133.577%0.7775%0.745SS**  trans61.6148.4156-87.40000120.5
1184K31.9Very low33.7Very low157 Ų157135.7 Ų135.768%0.68374%0.738SS**  cis-155.4149.522.4-131.2170.7-169.9-175.90115
1185Y34.1Very low33.9Very low196 Ų196133.1 Ų133.177%0.76973%0.734SS**  trans61.1106.5153.4-63.4-45.6000126.1
1186S33.6Very low33.9Very low96 Ų96132.2 Ų132.267%0.67173%0.732SS**  85.9106.7108.1-126.50000125.3
1187T34.2Very low34Very low113 Ų113128.5 Ų128.569%0.69373%0.733SS**  51.3118125.459.20000122.9
1188N33Very low34.1Very low149 Ų149129.6 Ų129.680%0.79774%0.738SS**  -172.515998.4-105.4-9.4000117.5
1189T36.6Very low34.1Very low131 Ų131124.6 Ų124.680%0.80473%0.729SS**  trans-32.5165.5166.953.20000120.4
1190G32Very low34.1Very low68 Ų68127.6 Ų127.670%0.70173%0.73SS**  cis154139.4-5.600000116.2
1191V36.7Very low33.8Very low140 Ų140127.7 Ų127.785%0.84873%0.731SS**  trans25.8140.6150.7-168.70000122.6
1192N33.5Very low33.6Very low137 Ų137127 Ų12773%0.73373%0.731SS**  trans-147.5151.1155.6-95.3-26.7000110.7
1193Q36.5Very low33.5Very low148 Ų148132.2 Ų132.269%0.69274%0.736SS**  cis-172.2161-26.4-124.5-16590.500108.1
1194L34.1Very low33.3Very low125 Ų125131.6 Ų131.665%0.65473%0.733SS**  cis-128.3-80-11.2-163.7-172.9000110.5
1195T34Very low33.1Very low120 Ų120131.6 Ų131.674%0.73674%0.74SS**  cis-165.1138.8-9.79.80000109.3
1196S32Very low32.9Very low81 Ų81127.5 Ų127.557%0.56674%0.74SS**  cis-169.141.4-21.549.70000115
1197T33.1Very low32.9Very low135 Ų135129.1 Ų129.183%0.82875%0.745SS**  trans-120.5118162.351.90000110.1
1198I34.2Very low32.5Very low141 Ų141131.7 Ų131.772%0.72375%0.749SS**  64.8111.860.8-55.6168000108.5
1199N33.7Very low32.3Very low132 Ų132134.6 Ų134.671%0.70675%0.751SS**  cis-149.8154.438.3-129.9-17.3000114.9
1200N30.9Very low31.9Very low127 Ų127133 Ų13368%0.67975%0.745SS**  trans49.3125.8153.2-67.1-17.6000124
1201T32.4Very low32.1Very low130 Ų130135 Ų13580%0.79875%0.749SS**  trans48.2127140.160.10000120.2
1202S31.1Very low32.1Very low111 Ų111133 Ų13378%0.77674%0.74SS**  cis-166.4-178.3-0.263.80000108.1
1203Y30.7Very low32.3Very low213 Ų213136.4 Ų136.484%0.83574%0.743SS**  cis-146.1-166.83.5-168.8-117.8000109.4
1204V31.7Very low32.1Very low114 Ų114138 Ų13869%0.69175%0.748SS**  trans-130.4149.5-175.9-178.90000112.1S1206V1204-S1206 PolarHBondContact O-N 2.81Å
1205N26.2Very low32.1Very low157 Ų157137.5 Ų137.584%0.8475%0.75SS**  trans-57.1124.5171.4-86.7-29.9000112.6
1206S30Very low31.9Very low110 Ų110136.5 Ų136.577%0.76975%0.748SS**  trans-168133.5144.2-87.50000113V1204V1204-S1206 PolarHBondContact O-N 2.81Å
1207V33.5Very low31.8Very low129 Ų129139.4 Ų139.478%0.78276%0.761SS**  trans60.5123.5155.5-173.80000119.1
1208E26.1Very low31.7Very low167 Ų167141.8 Ų141.878%0.7876%0.76SS**  trans-1.5120.2159.3-50.9-177.1133.300119.5
1209Y28.9Very low31.5Very low211 Ų211140 Ų14083%0.82776%0.76SS**  -162.5164.690-127.3-104.7000112.8
1210S28.7Very low31.4Very low98 Ų98142.1 Ų142.169%0.68576%0.763SS**  trans35.5110161.954.50000118.1
1211S35.1Very low31.3Very low110 Ų110147.7 Ų147.777%0.76978%0.776SS**  -170159.265.2-740000115.4
1212S38.2Very low31.3Very low96 Ų96145.4 Ų145.467%0.67177%0.771SS**  trans9.4144.3146.4-62.70000121.7
1213R36.7Very low31.3Very low210 Ų210145.6 Ų145.679%0.79277%0.772SS**  cis-156.6131.6-7.7-103.1171.3-160.1-162.16.5106.4
1214K33.2Very low31.3Very low182 Ų182141.3 Ų141.379%0.79177%0.768SS**  60.1105.387.4-75.6-171176.9178.90113.7
1215T33.3Very low31.2Very low114 Ų114141.9 Ų141.970%0.69977%0.772SS**  67.5118.781.962.80000113
1216S29.5Very low31.5Very low99 Ų99140.9 Ų140.969%0.69277%0.765SS**  80.7136.264.493.60000115.7
1217V30.6Very low31.5Very low141 Ų141141 Ų14186%0.85576%0.761SS**  trans60.4144147.9-177.90000119.3
1218K30.9Very low31.4Very low185 Ų185142.4 Ų142.480%0.80476%0.764SS**  trans-78141.4-179.5-66.7-176.5173.3-173.90113.7
1219S30.1Very low31.5Very low103 Ų103141.4 Ų141.472%0.7277%0.765SS**  trans51.6147.7136.6760000120.1
1220K31.1Very low31.5Very low178 Ų178140.8 Ų140.877%0.77476%0.761SS**  cis-147.9170.123.2-59.4171.9174.7-178.90110
1221Y29.6Very low31.5Very low243 Ų243143.9 Ų143.995%0.95377%0.77SS**  -146.2170125.9-100.9-72.9000109.5
1222A31.3Very low31.4Very low83 Ų83144 Ų14469%0.68676%0.762SS**  trans-151.7155.6-176.500000111.5
1223S31.6Very low31Very low114 Ų114147.9 Ų147.980%0.79777%0.769SS**  trans71.8143.1176.2-51.70000114.7
1224T30.5Very low30.7Very low123 Ų123144.5 Ų144.576%0.75577%0.772SS**  cis-153.8-179.610.4-16.20000112.4
1225V30.2Very low30.5Very low127 Ų127140.6 Ų140.677%0.7777%0.767SS**  trans8499.2177-169.20000112.6
1226I31.4Very low30.2Very low135 Ų135141.4 Ų141.469%0.69277%0.766SS**  8190.555.9-59.5175.3000112.6
1227T31.8Very low30.4Very low112 Ų112142.9 Ų142.969%0.68777%0.772SS**  trans45.7115.4147.862.40000120.1
1228N30.7Very low30.4Very low159 Ų159141.3 Ų141.385%0.8576%0.758SS**  -124.597.7126.8-125.8-2.3000109.5
1229N28.8Very low30.6Very low147 Ų147139.5 Ų139.579%0.78676%0.757SS**  trans-168.287.3138.2-112.110.3000108.3
1230W27.4Very low30.6Very low197 Ų197136.6 Ų136.675%0.74674%0.737SS**  trans-67.5131.1148.3-77.413000107.5N1232W1230-N1232 VanDerWaalsContact CE3-ND2 3.31Å
1231N30.1Very low30.9Very low163 Ų163134 Ų13487%0.87274%0.741SS**  trans-117.6116.6139.8-103-13.8000106.1
1232N31.8Very low31Very low114 Ų114130.5 Ų130.561%0.6173%0.731SS**  trans-76.4169.4178.6-87.5-34.3000111W1230 T1234W1230-N1232 VanDerWaalsContact CE3-ND2 3.31Å; N1232-T1234 PolarHBondContact O-N 2.85Å
1233H30.6Very low31.6Very low176 Ų176130.9 Ų130.982%0.81573%0.726SS**  trans-53.6125.9165-67.1-93.3000111.9
1234T29.9Very low31.6Very low139 Ų139132.7 Ų132.785%0.85373%0.725SS**  trans-134.7111.2137.647.80000107.6N1232N1232-T1234 PolarHBondContact O-N 2.85Å
1235C29.5Very low31.7Very low101 Ų101130 Ų13068%0.68272%0.722SS**  trans-83.2143.4163.2-74.50000109
1236D27.4Very low31.9Very low130 Ų130132.2 Ų132.270%0.69573%0.726SS**  trans51.7124.8148.4-46.9-28.2000119.8
1237T33Very low32.3Very low131 Ų131132.1 Ų132.180%0.80473%0.726SS**  -153.7112.2116.93.90000111.7
1238L31.7Very low32.3Very low108 Ų108134.1 Ų134.157%0.56573%0.732SS**  trans45.6113.2139.1-50.9169000118.7P1441L1238-P1441 HydrophobicContact CB-CG 4.44Å; L1238-P1441 HydrophobicContact CD2-CB 3.67Å; L1238-P1441 HydrophobicContact CD2-CG 3.79Å
1239N33.4Very low32.4Very low146 Ų146130.4 Ų130.478%0.78172%0.724SS**  -168.115888.9-99-52000112.7P1441N1239-P1441 WeakPolarHBondContact OD1-CG 3.26Å
1240S30.3Very low32.7Very low43 Ų43128.2 Ų128.230%0.30172%0.72SS.*  trans-130.1144.8-17468.60000112.3N1440 P1441S1240-N1440 PolarHBondContact OG-ND2 2.74Å; S1240-P1441 WeakPolarHBondContact OG-CA 3.31Å
1241S38Very low33.1Very low123 Ų123126.8 Ų126.886%0.8672%0.721SS**  trans-146.1126150.452.70000110.6
1242K31.5Very low33Very low169 Ų169126.1 Ų126.174%0.73572%0.715SS**  trans-106.4165.5171.2-114.7172.2-175.7175.10106.6
1243P43.4Very low33.1Very low91 Ų91123.7 Ų123.759%0.59170%0.702SS**  -159.2172.462.544-23.2000119.5
1244I33.1Very low33.2Very low152 Ų152119 Ų11978%0.77968%0.682SS**  trans66.8141.6151.1-69.5155.1000117.4
1245G31.9Very low33.3Very low66 Ų66116.9 Ų116.968%0.6867%0.666SS**  cis-146.7-172.512.200000116.4
1246M34Very low33.4Very low174 Ų174122.2 Ų122.286%0.85767%0.672SS**  trans-147.7-177.4-167.4-67.3170.756.200108.4
1247I39.2Very low33.8Very low134 Ų134125.4 Ų125.469%0.68768%0.68SS**  cis-152.9129.217.1-32.9157.3000110.9
1248N32.2Very low33.7Very low153 Ų153128.3 Ų128.382%0.81868%0.681SS**  179.2134.8128.3-95.8-25.5000110.1
1249A33.8Very low33.7Very low82 Ų82129.8 Ų129.868%0.67870%0.695SS**  cis75.4135.923.800000114.5
1250S34.8Very low33.5Very low101 Ų101129.9 Ų129.971%0.70670%0.695SS**  cis-122.9-170-2.867.10000109.8
1251Q34.7Very low33.4Very low166 Ų166135.4 Ų135.478%0.77672%0.721SS**  cis-151.3158.810.8-136.2162.5113.300106.3
1252M29.8Very low33.3Very low149 Ų149136.8 Ų136.873%0.73472%0.718SS**  cis67.9146.734-73.9-166.972.500116.1
1253N33Very low33.4Very low64 Ų64135.2 Ų135.234%0.34272%0.718SS.*  cis-175.4149-28.2-174.618.5000107.7F1371N1253-F1371 VanDerWaalsContact C-CE1 3.4Å; N1253-F1371 WeakPolarHBondContact O-CE1 3.29Å; N1253-F1371 WeakPolarHBondContact O-CE2 3.04Å; N1253-F1371 WeakPolarHBondContact O-CZ 3.19Å
1254N33.3Very low32.7Very low76 Ų76138.5 Ų138.541%0.40673%0.73SS.*  trans149.2107.4135.7-78.9-45.4000117.8F1371N1254-F1371 HydrophobicContact CB-CD2 3.82Å; N1254-F1371 HydrophobicContact CB-CE2 3.95Å; N1254-F1371 HydrophobicContact CB-CG 4.31Å; N1254-F1371 WeakPolarHBondContact O-CB 2.93Å; N1254-F1371 WeakPolarHBondContact O-CD2 3.16Å; N1254-F1371 VanDerWaalsContact O-CG 3.26Å; N1254-F1371 WeakPolarHBondContact O-CG 3.38Å
1255N31.8Very low32.6Very low95 Ų95138.1 Ų138.151%0.50873%0.729SS.*  66.1162.4126.4-69.2-59.4000120.1
1256R31.9Very low32.5Very low213 Ų213146.2 Ų146.280%0.80474%0.74SS**  cis-160.8165.411.9-138.2165.6-168.7170.73.1112.9
1257K34.6Very low32.2Very low198 Ų198142.6 Ų142.686%0.86173%0.728SS**  trans65.5122160.6-67.4-174.5176.9-178.70118.9
1258K31Very low31.7Very low192 Ų192145 Ų14584%0.83573%0.734SS**  trans-102.6146.1150.6-69.8-176.1176.6-176.30109.6
1259T31.1Very low31.8Very low139 Ų139143.3 Ų143.385%0.85373%0.731SS**  trans-116147.3143.742.20000107.2
1260N31Very low31.6Very low148 Ų148146.9 Ų146.979%0.79174%0.739SS**  trans-86130.3-177.5-63.6-28.3000110.4
1261D27.8Very low31.4Very low158 Ų158148.9 Ų148.985%0.84574%0.737SS**  trans-136.9121.6152.9-93.1-47.4000108
1262L34.6Very low31.1Very low153 Ų153146.3 Ų146.380%0.80174%0.737SS**  trans-150.2135171.6-70.2176.4000106.2
1263D33.9Very low31.4Very low136 Ų136145 Ų14573%0.72774%0.74SS**  cis-146.2138.13.4-108-47.4000110
1264N28.7Very low31.2Very low159 Ų159148.3 Ų148.385%0.8576%0.763SS**  trans-161.589.1159.8-144.1-4.4000113.1
1265I31.5Very low31Very low145 Ų145155.8 Ų155.874%0.74479%0.787SS**  trans-162.5138.7153.4-100.2146000108.2
1266Y29Very low30.8Very low236 Ų236156.6 Ų156.693%0.92580%0.795SS**  trans-143.680.9168.2-139.8-61.5000110.5
1267T29.1Very low30.9Very low97 Ų97153.3 Ų153.360%0.59579%0.792SS**  trans-146.5122175.624.10000110.3
1268F28.2Very low31.3Very low186 Ų186149.2 Ų149.282%0.81679%0.786SS**  trans56.4122.6166.7-55.7-73.6000119.5
1269P35.2Very low31.3Very low116 Ų116146.7 Ų146.775%0.75378%0.782SS**  trans-113.2117.1144.133.4-22.1000110.1
1270D28.2Very low31.2Very low158 Ų158145.6 Ų145.685%0.84578%0.778SS**  trans-86.5125.3156.8-80.9-48.8000108.4
1271E31.2Very low31.1Very low143 Ų143144 Ų14467%0.66878%0.778SS**  trans-104.397171.4-68.1-178116.700108.3R543 P1273R543-E1271 IonicContact CZ-OE2 3.01Å; R543-E1271 IonicContact NH1-OE2 3.29Å; R543-E1271 PolarHBondContact NH1-OE2 2.66Å; R543-E1271 IonicContact NH2-OE2 3.27Å; R543-E1271 PolarHBondContact NH2-OE2 3.41Å; E1271-P1273 WeakPolarHBondContact O-CD 3.01Å
1272S28.4Very low31.4Very low111 Ų111141.7 Ų141.778%0.77678%0.775SS**  trans-92.5118.3160.755.30000109.6
1273P36.8Very low31.2Very low122 Ų122140.1 Ų140.179%0.79277%0.772SS**  trans-115.89917534.7-20.8000111.3E1271E1271-P1273 WeakPolarHBondContact O-CD 3.01Å
1274T27.2Very low31.1Very low134 Ų134141.1 Ų141.182%0.82278%0.776SS**  trans-93.5104161.6-40.60000108.1
1275Y30.1Very low31.2Very low232 Ų232137.7 Ų137.791%0.9176%0.764SS**  trans-161145.9152-109.2-69.5000110.8
1276T28.2Very low31.3Very low112 Ų112137.4 Ų137.469%0.68776%0.764SS**  trans-97.9145.1-170.2250000112.8
1277I32.7Very low31.5Very low144 Ų144131.9 Ų131.974%0.73876%0.755SS**  trans55.6124.1131.7-62.2171.4000116.4
1278P43Very low31.6Very low112 Ų112132.7 Ų132.773%0.72776%0.763SS**  -152.2147.97937.2-15.8000121.5
1279N31.8Very low31.8Very low140 Ų140131.6 Ų131.675%0.74976%0.76SS**  trans90136.2130.3-747.9000125.3
1280C28.9Very low31.7Very low116 Ų116132.3 Ų132.378%0.78476%0.757SS**  trans65.9124.2153.4-63.80000117.6
1281S29.6Very low31.8Very low113 Ų113129.5 Ų129.579%0.7974%0.742SS**  cis-149.6-176.94.3-62.30000108.9
1282S33Very low32Very low111 Ų111126.6 Ų126.678%0.77673%0.734SS**  cis-152.5-148.315.860.10000111.6
1283T30.5Very low32.2Very low119 Ų119124.1 Ų124.173%0.7371%0.714SS**  trans-142.9-178.5-172.147.20000112.1
1284I32Very low32Very low158 Ų158121.8 Ų121.881%0.8170%0.701SS**  trans86.4134.8165.5-54.6170.5000116.3
1285S30.9Very low32.2Very low87 Ų87120.2 Ų120.261%0.60870%0.695SS**  cis-169.4175.2-29.265.80000112.3
1286N32.4Very low32.2Very low139 Ų139112.7 Ų112.774%0.74368%0.677SS**  trans103.9124.5145.1-70.70.5000123.6
1287T34Very low32.4Very low120 Ų120113.3 Ų113.374%0.73669%0.685SS**  trans71.5101.3142.450.90000122.7
1288C32.3Very low32.5Very low113 Ų113112 Ų11276%0.76469%0.686SS**  58.1146.6125.6-54.90000120.9
1289H31.7Very low31.9Very low163 Ų163113.5 Ų113.576%0.75568%0.677SS**  cis-151.5155.614.7-133.7-53.4000111.7
1290L32.6Very low32.1Very low131 Ų131111.6 Ų111.669%0.68667%0.666SS**  trans62.8115.8155.7-79.1156000119.5
1291D30.7Very low32.4Very low100 Ų100112.8 Ų112.854%0.53566%0.664SS.*  50149.3116.5-80.750.6000121.7R1327D1291-R1327 IonicContact OD1-NH2 2.65Å; D1291-R1327 PolarHBondContact OD1-NH2 2.79Å; D1291-R1327 IonicContact OD2-CZ 2.7Å; D1291-R1327 VanDerWaalsContact OD2-CZ 3.29Å; D1291-R1327 IonicContact OD2-NH1 3.02Å; D1291-R1327 PolarHBondContact OD2-NH1 3.4Å; D1291-R1327 IonicContact OD2-NH2 3.25Å; D1291-R1327 PolarHBondContact OD2-NH2 3.01Å
1292T34.5Very low32.5Very low81 Ų81113.5 Ų113.550%0.49766%0.663SS.*  cis173.7174.6-19.933.50000104.8R1327T1292-R1327 VanDerWaalsContact CG2-NH2 3.32Å
1293V33Very low32.6Very low60 Ų60113.1 Ų113.136%0.36466%0.661SS.*  -147.3137.7-70.8-95.90000107.3L1325 Q1326 R1327V1293-L1325 WeakPolarHBondContact CB-O 3.28Å; V1293-L1325 WeakPolarHBondContact CG1-O 3.13Å; V1293-Q1326 CarbonylContact C-O 3.11Å; V1293-Q1326 HydrophobicContact CB-CB 3.95Å; V1293-Q1326 HydrophobicContact CG1-CB 4.1Å; V1293-Q1326 HydrophobicContact CG2-CB 3.77Å; V1293-Q1326 WeakPolarHBondContact CG2-O 3.41Å; V1293-R1327 HydrophobicContact CG2-CB 3.49Å; V1293-R1327 VanDerWaalsContact CG2-CB 3.49Å; V1293-R1327 HydrophobicContact CG2-CG 3.57Å
1294S32.2Very low32.8Very low73 Ų73114.4 Ų114.451%0.5166%0.662SS.*  trans170.5163.4153.8-1120000115.5Y1324 L1325 Q1326S1294-Y1324 PolarHBondContact N-O 3.48Å; S1294-Y1324 CarbonylContact O-C 3.58Å; S1294-Y1324 VanDerWaalsContact O-CA 3.29Å; S1294-Y1324 WeakPolarHBondContact O-CA 3.29Å; S1294-Y1324 PolarHBondContact O-N 2.97Å; S1294-L1325 PolarHBondContact O-N 3.12Å; S1294-L1325 VanDerWaalsContact O-N 3.08Å; S1294-Q1326 VanDerWaalsContact CA-O 3.31Å; S1294-Q1326 WeakPolarHBondContact CA-O 3.46Å; S1294-Q1326 WeakPolarHBondContact CB-O 3.28Å; S1294-Q1326 PolarHBondContact N-O 3.27Å; S1294-Q1326 PolarHBondContact OG-O 3.23Å
1295S31.7Very low32.9Very low100 Ų100113.6 Ų113.670%0.69966%0.659SS**  trans-75.6145.5-172.451.80000114.9
1296S31.6Very low33.1Very low75 Ų75113.5 Ų113.552%0.52466%0.659SS.*  trans-146.7129.416558.70000114.5
1297S31.9Very low33.2Very low124 Ų124115.9 Ų115.987%0.86766%0.663SS**SBendtrans-111.5143.1145.1-75.70000107
1298P34Very low33.3Very low117 Ų117117.8 Ų117.876%0.7666%0.663SS**  cis-115.2149.6-3836.3-25000111.1
1299R31.6Very low33.5Very low143 Ų143117.4 Ų117.454%0.5466%0.657SS.*  trans-52.8140.3165.5-112.6-163.8-155.6175.81.8109.7K1320 Q1321R1299-K1320 WeakPolarHBondContact CD-O 3.29Å; R1299-K1320 PolarHBondContact NH1-O 3.4Å; R1299-Q1321 VanDerWaalsContact CD-O 3.28Å; R1299-Q1321 WeakPolarHBondContact CD-O 3.15Å; R1299-Q1321 PolarHBondContact NE-O 2.99Å; R1299-Q1321 PolarHBondContact NH1-O 2.85Å; R1299-Q1321 VanDerWaalsContact NH1-O 3.15Å
1300I35.2Very low33.4Very low100 Ų100118.2 Ų118.251%0.51366%0.661SS.*  cis-141.8131.434.8-66.8-175.5000113.1V1319I1300-V1319 VanDerWaalsContact CD1-C 3.46Å; I1300-V1319 VanDerWaalsContact CD1-O 3.28Å; I1300-V1319 WeakPolarHBondContact CD1-O 3.41Å
1301I34.3Very low33.5Very low142 Ų142117.8 Ų117.873%0.72867%0.669SS**  trans23.8146131.4-52.5175000120.7
1302T32.4Very low33.3Very low128 Ų128118 Ų11879%0.78568%0.679SS**  trans-101.9-164.1-174.351.40000114.4
1303S35.2Very low33.1Very low103 Ų103120.4 Ų120.472%0.7269%0.693SS**  trans89.1139.9168.1780000118.3
1304L35.5Very low32.9Very low146 Ų146128.2 Ų128.276%0.76472%0.715SS**  cis-162.9153.7-26.5-117.9149.5000109.6
1305D33.4Very low32.8Very low140 Ų140128.8 Ų128.875%0.74972%0.72SS**  trans56.7155162.4-64.5-35.3000121.9
1306S35.1Very low32.7Very low86 Ų86133.3 Ų133.360%0.60173%0.727SS**  cis-161.7161.8-35.7660000110.8
1307K34.8Very low32.7Very low188 Ų188133.6 Ų133.682%0.81773%0.729SS**  trans77125.6162.3-65.7178.3-176.2179.40121.1
1308H36.3Very low32.7Very low161 Ų161131.5 Ų131.575%0.74572%0.719SS**  trans7288.4145.3-78.1-69.5000123.6
1309T35Very low32.7Very low105 Ų105128.9 Ų128.964%0.64470%0.7SS**  66.4125.3118.546.80000122.9
1310H30.4Very low32.7Very low179 Ų179126.9 Ų126.983%0.82970%0.696SS**  trans67.280154.4-56.9-60000119.9
1311S34Very low32.5Very low123 Ų123127.3 Ų127.386%0.8670%0.695SS**  trans-172.2152.9130.943.30000115.3
1312S28.2Very low32.3Very low105 Ų105125.2 Ų125.273%0.73469%0.686SS**  trans11.6134.1147.2-141.60000122.7
1313V29.5Very low32.3Very low130 Ų130125.4 Ų125.479%0.78868%0.677SS**  trans73.7135136.3159.10000121
1314R29.3Very low32.1Very low224 Ų224127.8 Ų127.885%0.84567%0.672SS**  trans101.575.6151.1-152.9168.7-171.9161.61.1122.6
1315S28.4Very low31.9Very low86 Ų86124.8 Ų124.860%0.60166%0.656SS**  52.1131.3121.576.20000124.5
1316K31.1Very low31.9Very low195 Ų195123.1 Ų123.185%0.84864%0.644SS**  trans70.1156142.8-66.9168.2-178.6179.70119.6
1317S30.4Very low31.9Very low81 Ų81126.4 Ų126.457%0.56664%0.643SS**  cis-179.7139.4-32.157.80000112.7
1318A32.9Very low31.6Very low79 Ų79123.1 Ų123.165%0.65363%0.634SS**  trans70.9166.4149.100000118.1
1319V33Very low31.5Very low62 Ų62123.4 Ų123.438%0.37664%0.636SS.*  cis-168160.80.584.80000114.8I1300I1300-V1319 VanDerWaalsContact CD1-C 3.46Å; I1300-V1319 VanDerWaalsContact CD1-O 3.28Å; I1300-V1319 WeakPolarHBondContact CD1-O 3.41Å
1320K32Very low31.2Very low101 Ų101129.1 Ų129.144%0.43965%0.646SS.*  trans91.6111.4150.6-83.3173.4176163.60126.1I1111 R1299I1111-K1320 PolarHBondContact O-NZ 3.4Å; R1299-K1320 WeakPolarHBondContact CD-O 3.29Å; R1299-K1320 PolarHBondContact NH1-O 3.4Å
1321Q31.1Very low31Very low109 Ų109125.4 Ų125.451%0.50964%0.639SS.*  70.2134.8117.1-80.8-179.3-47.500127.5R1299R1299-Q1321 VanDerWaalsContact CD-O 3.28Å; R1299-Q1321 WeakPolarHBondContact CD-O 3.15Å; R1299-Q1321 PolarHBondContact NE-O 2.99Å; R1299-Q1321 PolarHBondContact NH1-O 2.85Å; R1299-Q1321 VanDerWaalsContact NH1-O 3.15Å
1322N30.4Very low30.7Very low99 Ų99127.1 Ų127.153%0.52964%0.637SS.*  trans100.3130138.2-70.94.3000125.2
1323H32.5Very low30.7Very low131 Ų131127.2 Ų127.261%0.60664%0.638SS**  trans68149.3142.8-84.1-105.6000121.4
1324Y30.4Very low30.7Very low153 Ų153125.7 Ų125.760%0.663%0.634SS**  cis-164.9137.4-16.3-153.3-129.6000117.3S1294S1294-Y1324 PolarHBondContact N-O 3.48Å; S1294-Y1324 CarbonylContact O-C 3.58Å; S1294-Y1324 VanDerWaalsContact O-CA 3.29Å; S1294-Y1324 WeakPolarHBondContact O-CA 3.29Å; S1294-Y1324 PolarHBondContact O-N 2.97Å
1325L32.7Very low30.8Very low83 Ų83119.6 Ų119.644%0.43563%0.625SS.*  trans37.8134.4142-170.5-88.9000124.6V1293 S1294V1293-L1325 WeakPolarHBondContact CB-O 3.28Å; V1293-L1325 WeakPolarHBondContact CG1-O 3.13Å; S1294-L1325 PolarHBondContact O-N 3.12Å; S1294-L1325 VanDerWaalsContact O-N 3.08Å
1326Q33Very low31Very low106 Ų106120.9 Ų120.950%0.49563%0.634SS.*  trans86.2-179.7-177.1-89.7-167.658.100114.3V1293 S1294V1293-Q1326 CarbonylContact C-O 3.11Å; V1293-Q1326 HydrophobicContact CB-CB 3.95Å; V1293-Q1326 HydrophobicContact CG1-CB 4.1Å; V1293-Q1326 HydrophobicContact CG2-CB 3.77Å; V1293-Q1326 WeakPolarHBondContact CG2-O 3.41Å; S1294-Q1326 VanDerWaalsContact CA-O 3.31Å; S1294-Q1326 WeakPolarHBondContact CA-O 3.46Å; S1294-Q1326 WeakPolarHBondContact CB-O 3.28Å; S1294-Q1326 PolarHBondContact N-O 3.27Å; S1294-Q1326 PolarHBondContact OG-O 3.23Å
1327R33.7Very low31.6Very low155 Ų155117.5 Ų117.559%0.58563%0.632SS**  cis-126-178.8-1.3-105.6-170.2-164.4144.35.9107.5D1291 T1292 V1293D1291-R1327 IonicContact OD1-NH2 2.65Å; D1291-R1327 PolarHBondContact OD1-NH2 2.79Å; D1291-R1327 IonicContact OD2-CZ 2.7Å; D1291-R1327 VanDerWaalsContact OD2-CZ 3.29Å; D1291-R1327 IonicContact OD2-NH1 3.02Å; D1291-R1327 PolarHBondContact OD2-NH1 3.4Å; D1291-R1327 IonicContact OD2-NH2 3.25Å; D1291-R1327 PolarHBondContact OD2-NH2 3.01Å; T1292-R1327 VanDerWaalsContact CG2-NH2 3.32Å; V1293-R1327 HydrophobicContact CG2-CB 3.49Å; V1293-R1327 VanDerWaalsContact CG2-CB 3.49Å; V1293-R1327 HydrophobicContact CG2-CG 3.57Å
1328N29.9Very low31.8Very low118 Ų118118.6 Ų118.663%0.63164%0.64SS**  -158.1148.6-73.8-1554.7000110.2
1329Q33.9Very low31.9Very low168 Ų168119.4 Ų119.479%0.78564%0.641SS**  trans62.8162.5171.9-61.2-176.231.800117.7
1330R28Very low31.8Very low224 Ų224124.2 Ų124.285%0.84566%0.664SS**  cis-169.8144.5-49.6-130.2-172.1-175.4-172.81.4107.8
1331C25.8Very low32Very low101 Ų101125.6 Ų125.668%0.68268%0.681SS**  trans70.4134.1150.9-64.60000121.4
1332L28.6Very low32Very low159 Ų159125.5 Ų125.583%0.83269%0.692SS**  trans83.8130.6147.5-66.4162.4000121.6
1333S28.7Very low32.2Very low108 Ų108126.6 Ų126.676%0.75570%0.702SS**  trans63.3144.5146.847.40000120.8
1334S27.9Very low32.2Very low98 Ų98125.2 Ų125.269%0.68571%0.707SS**  cis-172.6179.7-16.653.40000109.9
1335S32.6Very low32.3Very low95 Ų95122.6 Ų122.666%0.66471%0.711SS**  trans65.6118158320000116.6
1336S32.6Very low32.2Very low113 Ų113124.7 Ų124.779%0.7973%0.728SS**  cis68.6126.346.7-46.70000113.1
1337P44.4Very low32.1Very low124 Ų124127.7 Ų127.781%0.80575%0.746SS**  -127.5171.794.240.3-33.7000111.5
1338S33.8Very low31.9Very low105 Ų105125.9 Ų125.973%0.73476%0.757SS**  cis-176.5157.7-7.841.20000108.3
1339S34Very low32Very low96 Ų96125.6 Ų125.667%0.67176%0.764SS**  cis178160.6-20.254.30000110.6
1340L32.5Very low32Very low163 Ų163122.6 Ų122.685%0.85376%0.762SS**  trans82143162.4-51.4177.9000117.5
1341T35.4Very low32.2Very low130 Ų130117.4 Ų117.480%0.79876%0.76SS**  cis-124.6166.91.247.70000114.3
1342S32.1Very low32.5Very low106 Ų106118.6 Ų118.674%0.74177%0.77SS**  trans-73.5-179.6173.3440000113
1343V34.7Very low32.8Very low123 Ų123115.9 Ų115.975%0.74576%0.763SS**  cis-156138.342.9-1790000114.6
1344S32.1Very low33Very low102 Ų102118.1 Ų118.171%0.71377%0.766SS**  trans29.4147.3152-49.90000127
1345S32.1Very low33.1Very low98 Ų98117.8 Ų117.869%0.68576%0.764SS**  trans89.8104.7132.145.70000123.8
1346T31.3Very low33.1Very low127 Ų127119 Ų11978%0.77977%0.768SS**  84.5146.5126.556.20000123.7
1347L31.1Very low33.1Very low169 Ų169119.4 Ų119.489%0.88577%0.766SS**  trans86.9137.7159.5-74.5155.3000119.1
1348S27.6Very low32.5Very low116 Ų116119.8 Ų119.881%0.81177%0.765SS**  trans-158.7122.7-170.257.60000111.1
1349S32.9Very low32.5Very low113 Ų113121.7 Ų121.779%0.7977%0.766SS**  trans-167144.9179.247.70000108.6
1350S33.1Very low32.4Very low104 Ų104125.7 Ų125.773%0.72777%0.774SS**  cis-165144.3-2.339.30000111.9
1351S33.7Very low32.4Very low116 Ų116122.8 Ų122.881%0.81177%0.767SS**  trans26.5128.815158.40000122.2
1352S32.5Very low32Very low126 Ų126123.4 Ų123.488%0.88177%0.766SS**  trans-96.6-167.8161.957.50000113.1
1353S34.2Very low32Very low101 Ų101126 Ų12671%0.70677%0.771SS**  trans-112.9153.1-152.545.10000117.8
1354L31.8Very low31.9Very low155 Ų155128 Ų12881%0.81277%0.774SS**  trans54.6116.8148.3-8583.7000122.7
1355S31.8Very low31.9Very low91 Ų91129.1 Ų129.164%0.63677%0.771SS**  27144121.558.30000122.5
1356T32.6Very low31.8Very low122 Ų122132.7 Ų132.775%0.74877%0.774SS**  cis-168.3143.9-0.416.90000114.1
1357T31.5Very low31.8Very low121 Ų121132.2 Ų132.274%0.74277%0.771SS**  trans54.4127.9146.559.80000124
1358T33Very low31.6Very low131 Ų131131.7 Ų131.780%0.80477%0.768SS**  trans-161.2114.6130.17.90000115
1359I33.6Very low31.6Very low146 Ų146131.4 Ų131.475%0.74977%0.766SS**  trans74140.2139.7-66.5169.2000122.2
1360Q31.5Very low31.9Very low180 Ų180130.6 Ų130.684%0.84176%0.758SS**  trans62.8117.9175-75.9179.2-92.500116.7
1361S32.4Very low31.7Very low101 Ų101131.1 Ų131.171%0.70675%0.748SS**SBendcis-1391602.1-57.60000108.4
1362D27.5Very low31.4Very low143 Ų143130 Ų13077%0.76573%0.732SS**  cis-147.5178.227.9-139.1-29.9000114.2
1363L30.9Very low31.2Very low162 Ų162129.7 Ų129.785%0.84872%0.72SS**  trans-16.3141.3-178.5-81.6151.2000122.4
1364M32.2Very low31.2Very low163 Ų163132.7 Ų132.780%0.80373%0.727SS**  trans-99.9162.1178.3-108.3-169.2-172.200113.7
1365I33.2Very low30.9Very low127 Ų127130.2 Ų130.265%0.65172%0.723SS**  trans86.8113.3139.3-80.3169.7000121.4
1366K30.4Very low31Very low172 Ų172131.3 Ų131.375%0.74873%0.726SS**  trans61.1110.4132.2-62.7-174.8-175.6178.80123.3
1367T30.6Very low31.1Very low117 Ų117133.2 Ų133.272%0.71873%0.731SS**  48.7116.6123.563.80000122.2
1368L27.3Very low31.3Very low159 Ų159132 Ų13283%0.83273%0.728SS**  trans87.1123.8133.5-69.5168.5000121.8
1369S26.7Very low31.1Very low110 Ų110130.6 Ų130.677%0.76972%0.723SS**  trans76.7156.9151.280.60000118.7
1370P40.2Very low30.9Very low96 Ų96128.1 Ų128.162%0.62372%0.719SS**  cis-138.6162.2-48.838.4-24.3000115.5
1371F28.3Very low31.1Very low115 Ų115126.7 Ų126.750%0.50472%0.715SS.*  trans62.6131.9146.3-82.2-52.9000124.4N1253 N1254N1253-F1371 VanDerWaalsContact C-CE1 3.4Å; N1253-F1371 WeakPolarHBondContact O-CE1 3.29Å; N1253-F1371 WeakPolarHBondContact O-CE2 3.04Å; N1253-F1371 WeakPolarHBondContact O-CZ 3.19Å; N1254-F1371 HydrophobicContact CB-CD2 3.82Å; N1254-F1371 HydrophobicContact CB-CE2 3.95Å; N1254-F1371 HydrophobicContact CB-CG 4.31Å; N1254-F1371 WeakPolarHBondContact O-CB 2.93Å; N1254-F1371 WeakPolarHBondContact O-CD2 3.16Å; N1254-F1371 VanDerWaalsContact O-CG 3.26Å; N1254-F1371 WeakPolarHBondContact O-CG 3.38Å
1372L28.5Very low31.1Very low91 Ų91128.2 Ų128.248%0.47671%0.714SS.*  trans67.9150.1152.7-62.4-164.3000117.4
1373N26.7Very low31.3Very low120 Ų120129 Ų12964%0.64271%0.713SS**  cis-155.21358.4-140.5-5000110.5
1374L33.8Very low31.8Very low164 Ų164125.8 Ų125.886%0.85970%0.702SS**  -171.2139.5129.4-130.266.8000112.9
1375S27.1Very low31.8Very low104 Ų104124.8 Ų124.873%0.72770%0.699SS**  trans-121.7134174.855.90000110
1376T34.4Very low31.7Very low113 Ų113124.4 Ų124.469%0.69370%0.699SS**  trans-150.2118.8168.545.50000112.2
1377L34.2Very low31.7Very low162 Ų162122 Ų12285%0.84869%0.694SS**  trans66.7142148.1-50.5166.7000117.1
1378S34.6Very low32Very low96 Ų96122.1 Ų122.167%0.67169%0.691SS**  cis-162.9166.5-10.4-109.20000112.2
1379S30.2Very low32.4Very low102 Ų102120.3 Ų120.371%0.71368%0.682SS**  trans-17.2152.4154.955.30000118.6
1380S29.6Very low32.8Very low94 Ų94121.5 Ų121.566%0.65768%0.679SS**  cis175.6-173.8-4.350.60000108.8
1381I33.8Very low32.6Very low150 Ų150124.6 Ų124.677%0.76969%0.691SS**  trans75.1140.4161.5-67.4164.7000115.6
1382I33.3Very low33Very low132 Ų132126.1 Ų126.168%0.67770%0.704SS**  cis-167.4160.9-24.9-152.7163.6000111.1
1383H32.2Very low33.2Very low161 Ų161129.1 Ų129.175%0.74572%0.721SS**  trans73.7159.6159.2-86.1-45.6000122
1384P41Very low33.4Very low93 Ų93127.9 Ų127.960%0.60473%0.727SS**  -145.7-140.8-129.745.9-22000114.5
1385N31.6Very low33.3Very low142 Ų142125.2 Ų125.276%0.75972%0.722SS**  trans76.6152.3157.8-83.72.9000118.2
1386N31.1Very low33.4Very low119 Ų119125.2 Ų125.264%0.63672%0.722SS**  cis-168174.3-29.3-154.42.3000109.6
1387N31.3Very low33.1Very low123 Ų123126.9 Ų126.966%0.65873%0.726SS**  trans66.6169.4154.8-69.9-5.7000116.2
1388N36.1Very low32.9Very low119 Ų119125.2 Ų125.264%0.63672%0.718SS**  cis-151.813915.8-129.6-0.7000108.1
1389N36.3Very low32.7Very low121 Ų121128.5 Ų128.565%0.64772%0.723SS**  141.7161.897.4-93.1-13.2000107.6
1390N35.6Very low32.5Very low134 Ų134128.5 Ų128.572%0.71772%0.722SS**  cis-163.5161.6-31.5-110.5-5.4000108.8
1391N34.3Very low32.5Very low161 Ų161131.4 Ų131.486%0.86173%0.729SS**  trans-89.6160.2168.7-74.3-22.1000111.8
1392N37.2Very low32.2Very low148 Ų148129 Ų12979%0.79173%0.726SS**  trans-100.5137.3172-65.4-34.8000111.4
1393N31.9Very low32.2Very low154 Ų154129 Ų12982%0.82473%0.732SS**  trans49.3117.5158.3-51.9-8.7000118.3
1394A32.1Very low32.7Very low93 Ų93126.5 Ų126.577%0.76973%0.73SS**  cis66.8144.328.800000114.4
1395S30.7Very low32Very low109 Ų109127 Ų12776%0.76274%0.735SS**  cis177.1156.3-10.846.50000108.6
1396S29.6Very low32Very low104 Ų104126 Ų12673%0.72774%0.735SS**  cis-166.6-138.9-1157.90000109.5
1397L28.5Very low32Very low147 Ų147126 Ų12677%0.7774%0.739SS**  trans67.8158.7-174-9362.2000114.9
1398D30.5Very low32Very low128 Ų128127.8 Ų127.868%0.68475%0.747SS**  cis-145.1-159.815.2-142.3-31.2000114.3
1399Q28.8Very low31.6Very low164 Ų164127.7 Ų127.777%0.76675%0.746SS**  trans-88.5174.1-165.5-61.9164.926.700118.9
1400C27.9Very low31.2Very low103 Ų103126.8 Ų126.870%0.69674%0.741SS**  trans94136.9145.2-76.10000123.5
1401L29Very low30.8Very low154 Ų154127.3 Ų127.381%0.80674%0.74SS**  trans54.1115.6149.9-58.5166.1000119.1
1402S27.5Very low30.4Very low100 Ų100126.6 Ų126.670%0.69973%0.731SS**  81.498.959.8-63.60000116.2
1403T33.9Very low29.9Very low131 Ų131127 Ų12780%0.80473%0.728SS**  trans23.5150134.860.30000120.9
1404P41.3Very low29.8Very low109 Ų109128 Ų12871%0.70873%0.725SS**  cis-154.9-176.840.939.9-17.2000119.3
1405S25.9Very low29.6Very low103 Ų103129.6 Ų129.672%0.7273%0.725SS**  trans77.8147.7160.7-21.40000116.5
1406T31.8Very low29.7Very low122 Ų122130.5 Ų130.575%0.74872%0.721SS**  cis-148.1142.811.542.90000113.5
1407V31Very low29.8Very low118 Ų118131.4 Ų131.472%0.71572%0.718SS**  70.2124.5129.2173.50000122
1408I31.9Very low30Very low162 Ų162130.7 Ų130.783%0.83171%0.714SS**  trans66.7151.4152.9-75.5168.3000118.2
1409D28.3Very low30.2Very low117 Ų117130.6 Ų130.663%0.62671%0.714SS**  cis-178.7174.8-29.7-166.27.6000106.9
1410N28.3Very low30.5Very low102 Ų102128.7 Ų128.755%0.54571%0.709SS.*  trans38.1117.7145.9-83.1-38.2000121.3
1411Q26.5Very low30.9Very low145 Ų145129.7 Ų129.768%0.67871%0.708SS**  74.7126.792.2-77-164.772.200118.4
1412Q25.5Very low31.3Very low146 Ų146128.5 Ų128.568%0.68270%0.702SS**  trans57.7130.4136.6-58.3-169.130.100123.4
1413H27.2Very low31.8Very low155 Ų155131 Ų13172%0.71871%0.707SS**  trans76.7128.1135.9-84-47.9000124
1414K28.7Very low31.8Very low176 Ų176127.9 Ų127.977%0.76570%0.702SS**  trans80.5114.6139.9-76.1179.6176.8177.90120.6
1415V29.7Very low31.5Very low126 Ų126133.3 Ų133.376%0.76471%0.708SS**  52.1117.1119179.80000115.9
1416N31.1Very low31.9Very low128 Ų128135.7 Ų135.768%0.68471%0.713SS**  -165.7157.764-147.83.3000116.4
1417N32Very low31.9Very low123 Ų123133 Ų13366%0.65871%0.71SS**  trans58.4133.7151.3-81.2-4.4000125.1
1418N32.8Very low31.9Very low132 Ų132135.3 Ų135.371%0.70672%0.718SS**  trans91112.5143.9-675.2000122.3
1419N34.9Very low31.7Very low126 Ų126132 Ų13267%0.67471%0.709SS**  trans88.9103.7139.1-64.93.5000121.7
1420N34.6Very low31.8Very low125 Ų125132.5 Ų132.567%0.66872%0.716SS**  92.7116.9128.6-63.1-4.3000121
1421N36.1Very low32.2Very low124 Ų124132.9 Ų132.966%0.66373%0.725SS**  trans65.9115.9134-58.8-4.5000117.4
1422N39Very low32.4Very low128 Ų128131.7 Ų131.768%0.68473%0.732SS**  124.1149.963.1-89.6-2.2000104.8
1423N38Very low32.8Very low152 Ų152130.5 Ų130.581%0.81374%0.74SS**  cis-150.5170.1-6.3-85.3-31000105.6
1424G34.1Very low32.8Very low67 Ų67127.5 Ų127.569%0.69174%0.737SS**  cis170.4147.6-5.200000111.2
1425R34Very low32.9Very low223 Ų223129.2 Ų129.284%0.84274%0.74SS**  trans20.7116.4159.2-71.8-176171.4177-3.8120
1426N35Very low33.1Very low153 Ų153128.9 Ų128.982%0.81873%0.733SS**  95145.793.3-704.8000113.7
1427G32Very low33.3Very low66 Ų66129 Ų12968%0.6873%0.729SS**  cis142.547.2-7.100000116.7
1428N30.9Very low33.4Very low165 Ų165127.7 Ų127.788%0.88272%0.718SS**  trans-171.4148.8166.8-96.5-28.8000107.6
1429S27.5Very low33.6Very low92 Ų92126 Ų12664%0.64372%0.722SS**  cis-156-179.5-461.10000110.1
1430T29.1Very low33.6Very low128 Ų128122.9 Ų122.979%0.78571%0.705SS**  trans73.3159.4-177.780.20000115.9
1431P36.6Very low34.2Very low111 Ų111119.4 Ų119.472%0.72169%0.69SS**  cis-128.9-147.1-42.233.8-15.4000111.6
1432S31.7Very low34Very low119 Ų119117.8 Ų117.883%0.83268%0.681SS**  trans73.842.7161.2-51.30000118.8
1433S33.1Very low33.8Very low121 Ų121116.7 Ų116.785%0.84668%0.684SS**  trans-92.1108.3173.7-175.20000113.5
1434S27.4Very low33.7Very low93 Ų93113.9 Ų113.965%0.6568%0.676SS**  trans169.1149.8132.553.10000115.2
1435Y32Very low33.5Very low211 Ų211115.9 Ų115.983%0.82769%0.686SS**  trans66.4151157.9-65.6-54.3000120.7
1436L32.8Very low33.4Very low120 Ų120112.5 Ų112.563%0.62868%0.683SS**  cis-127.7-127.1-2.9-128.6171.7000109.7K1438L1436-K1438 HydrophobicContact CD2-CB 4.29Å; L1436-K1438 HydrophobicContact CD2-CG 4.26Å
1437H34.7Very low33.3Very low129 Ų129109.6 Ų109.660%0.59768%0.681SS**  cis-162.3142.6-8.2-145.2107.4000108.3
1438K34.8Very low33.2Very low97 Ų97110.7 Ų110.742%0.42268%0.683SS.*  cis-166.9139.1-35.4-166.6-165.2-159.9-143.40108.8L1436 N1440 D1442L1436-K1438 HydrophobicContact CD2-CB 4.29Å; L1436-K1438 HydrophobicContact CD2-CG 4.26Å; K1438-N1440 WeakPolarHBondContact CD-OD1 2.94Å; K1438-N1440 WeakPolarHBondContact CE-OD1 3.06Å; K1438-N1440 PolarHBondContact NZ-ND2 3.23Å; K1438-N1440 PolarHBondContact NZ-OD1 3.41Å; K1438-D1442 IonicContact NZ-OD1 3.98Å; K1438-D1442 PolarHBondContact NZ-OD1 3.06Å; K1438-D1442 IonicContact NZ-OD2 3.67Å
1439A36.5Very low33.2Very low97 Ų97107.4 Ų107.480%0.80268%0.679SS**  trans-159.7121144.100000107.7
1440N35.5Very low33.4Very low59 Ų59109.4 Ų109.432%0.31669%0.687SS.*  cis78.7144.245.1-89.949000115.7S1240 K1438 D1442S1240-N1440 PolarHBondContact OG-ND2 2.74Å; K1438-N1440 WeakPolarHBondContact CD-OD1 2.94Å; K1438-N1440 WeakPolarHBondContact CE-OD1 3.06Å; K1438-N1440 PolarHBondContact NZ-ND2 3.23Å; K1438-N1440 PolarHBondContact NZ-OD1 3.41Å; N1440-D1442 VanDerWaalsContact ND2-CG 3.26Å; N1440-D1442 PolarHBondContact ND2-OD1 3.15Å; N1440-D1442 PolarHBondContact ND2-OD2 3.08Å; N1440-D1442 PolarHBondContact OD1-OD1 3.28Å
1441P47.1Very low33.5Very low53 Ų53108 Ų10834%0.34468%0.681SS.*  cis-80.7175.516.3-16.634.5000117.6L1238 N1239 S1240L1238-P1441 HydrophobicContact CB-CG 4.44Å; L1238-P1441 HydrophobicContact CD2-CB 3.67Å; L1238-P1441 HydrophobicContact CD2-CG 3.79Å; N1239-P1441 WeakPolarHBondContact OD1-CG 3.26Å; S1240-P1441 WeakPolarHBondContact OG-CA 3.31Å
1442D32.5Very low32.9Very low90 Ų90110.5 Ų110.548%0.48169%0.688SS.*  trans-88.6-176.8179.5-44.5-89.7000112.1K1438 N1440K1438-D1442 IonicContact NZ-OD1 3.98Å; K1438-D1442 PolarHBondContact NZ-OD1 3.06Å; K1438-D1442 IonicContact NZ-OD2 3.67Å; N1440-D1442 VanDerWaalsContact ND2-CG 3.26Å; N1440-D1442 PolarHBondContact ND2-OD1 3.15Å; N1440-D1442 PolarHBondContact ND2-OD2 3.08Å; N1440-D1442 PolarHBondContact OD1-OD1 3.28Å
1443S34.7Very low33Very low105 Ų105112.6 Ų112.673%0.73469%0.685SS**  trans-151.4167.4-158.757.40000115.4
1444S35Very low32.9Very low93 Ų93115 Ų11565%0.6568%0.683SS**  trans67137.6155.572.70000121.5
1445A30.4Very low33.1Very low109 Ų109117.1 Ų117.190%0.90169%0.686SS**  trans-111.4134.1141.400000108.4
1446L31.5Very low33Very low151 Ų151116.1 Ų116.179%0.79169%0.689SS**  trans-141.6128.3-172.5-174.6145000111.3
1447A32.7Very low32.8Very low93 Ų93119 Ų11977%0.76970%0.701SS**  trans63.1164.7176.800000115.6
1448A30.6Very low32.5Very low88 Ų88121.3 Ų121.373%0.72771%0.712SS**  cis-143.9131.25.600000113.2
1449A30.7Very low32.1Very low97 Ų97124 Ų12480%0.80273%0.728SS**SBend-178.1127.8129.100000111.1
1450V31.1Very low31.8Very low133 Ų133126.6 Ų126.681%0.80673%0.726SS**SBendcis-153.7135.7-23.2164.40000103.9
1451C31.2Very low31.4Very low98 Ų98129.4 Ų129.466%0.66275%0.748SS**  cis-155.7161.7-19.4-105.30000107.5Q1453C1451-Q1453 PolarHBondContact O-N 2.92Å
1452L25.2Very low30.6Very low165 Ų165132 Ų13286%0.86477%0.767SS**  trans-95.679.7169.2-137.7179.9000110.1
1453Q33.2Very low30.5Very low163 Ų163133.6 Ų133.676%0.76278%0.78SS**  trans-169.3134.5162.8-109171.7-6.100106.7C1451C1451-Q1453 PolarHBondContact O-N 2.92Å
1454Q31.8Very low30.6Very low171 Ų171135.3 Ų135.380%0.79979%0.786SS**SBendcis-56.7154.46.9-125.772-2.300116.5
1455L29.9Very low30.5Very low137 Ų137137.7 Ų137.772%0.71779%0.792SS**  trans-68.9134150.1-87.877.4000108.5
1456Q31.3Very low31.1Very low191 Ų191137 Ų13789%0.89378%0.778SS**  -163.3106.2128.7-113.3172.3-8.900110.1
1457M27.7Very low31.3Very low180 Ų180135.1 Ų135.189%0.88777%0.773SS**  trans-76.8153.5147.5-86.6-176.262.300108.4
1458Q28.3Very low31.4Very low177 Ų177134.2 Ų134.283%0.82777%0.765SS**  trans-69.1150.9179.7-60.3135.1-41.900111.1
1459M27.9Very low31.5Very low155 Ų155136.4 Ų136.476%0.76476%0.762SS**  179.9115.9111.8-91.1-69.6-106.700111.9
1460M28.9Very low31.6Very low151 Ų151136.2 Ų136.274%0.74476%0.76SS**  trans56.7126.8152-56.7-166.6-6200122
1461C28.1Very low31.7Very low117 Ų117136.1 Ų136.179%0.79176%0.76SS**  trans60.8135.3138.2-57.90000120.1
1462C30.4Very low31.8Very low108 Ų108135.5 Ų135.573%0.7376%0.762SS**  cis-155.7170.73.6-105.30000112.2
1463T29.7Very low32.1Very low124 Ų124134.6 Ų134.676%0.76176%0.757SS**  trans-3.3147.1154.363.10000119.8
1464T35.8Very low32Very low140 Ų140133.9 Ų133.986%0.85976%0.758SS**  cis-149.2-156.538.146.40000114.2
1465N33Very low32Very low144 Ų144130.7 Ų130.777%0.7776%0.761SS**  trans-153.3-176.2-164.4-141.1-11.7000108.6
1466P44.9Very low32Very low94 Ų94132 Ų13261%0.6177%0.768SS**  cis-139-165.3-17.241.2-20.5000116.2
1467T35.8Very low32.2Very low111 Ų111130.7 Ų130.768%0.68177%0.767SS**  trans78.3176.2165.313.80000117.4
1468A33.7Very low32.4Very low74 Ų74125 Ų12561%0.61275%0.754SS**  cis-130.8-137.216.700000115.5Q839Q839-A1468 PolarHBondContact NE2-O 3.47Å
1469M32.6Very low32.6Very low135 Ų135126.4 Ų126.467%0.66576%0.758SS**  trans-164.7139.7-168.8-129.4175.6-174.500115.4
1470A33.6Very low32.8Very low92 Ų92123.9 Ų123.976%0.7676%0.756SS**  trans57.3161.6144.100000122.4
1471V32.3Very low33Very low131 Ų131121.4 Ų121.479%0.79475%0.753SS**  cis-166.8140.8-22.5137.30000109.1
1472A34Very low33.3Very low86 Ų86122.4 Ų122.471%0.71175%0.751SS**  trans60.1167.2162.100000118.8
1473L30.7Very low33.3Very low146 Ų146121 Ų12176%0.76474%0.742SS**  cis-159158.2-30.6-106.7171.7000108.7
1474N31.5Very low33.5Very low147 Ų147118.4 Ų118.479%0.78672%0.723SS**  trans48.2121.1157.8-64.6-9.3000121.6
1475A31.7Very low33.1Very low104 Ų104119 Ų11986%0.8672%0.72SS**  -167.4153.8118.300000111.6
1476L30.6Very low33.4Very low166 Ų166116.6 Ų116.687%0.86971%0.712SS**  trans-123.1150.7176.4-85.4161.5000110.6
1477N35.1Very low32.7Very low162 Ų162119.4 Ų119.487%0.86672%0.722SS**  trans-161.3147.9155.4-85.1-40.9000106.4
1478G31.3Very low32.4Very low60 Ų60121.7 Ų121.762%0.61973%0.727SS**  cis100.4134.515.500000110.7
1479F32.9Very low32.2Very low207 Ų207124.3 Ų124.391%0.90873%0.73SS**  cis-166.7147.91.8-119.3-80.5000110.4
1480S32.5Very low32.1Very low102 Ų102126.8 Ų126.871%0.71374%0.737SS**  trans-176.5107.5153.354.20000110.2
1481S33.5Very low32Very low99 Ų99126.8 Ų126.869%0.69273%0.732SS**  60.9137.286.159.20000114.8
1482N32.7Very low32Very low138 Ų138126.2 Ų126.274%0.73873%0.734SS**  cis-163.8172.51.1-11434.6000108.4
1483S31.5Very low31.8Very low78 Ų78131.2 Ų131.255%0.54574%0.74SS.*  cis-177.2177.9-20.850.60000110.8
1484I32.8Very low31.8Very low70 Ų70131 Ų13136%0.35974%0.735SS.*  trans80.9149.7159.5-65.4165.4000117.7E796 D797E796-I1484 HydrophobicContact CB-CD1 4.45Å; D797-I1484 WeakPolarHBondContact OD1-CD1 3.49Å
1485I29.4Very low32Very low154 Ų154130.3 Ų130.379%0.7973%0.728SS**  trans-149.7-13.3-142.63.5169.6000122.3N1487I1485-N1487 PolarHBondContact O-N 2.69Å
1486P39Very low32Very low93 Ų93131.8 Ų131.860%0.60472%0.722SS**  trans-82.9102.9-147.230.6-39000120.6
1487N30.1Very low32.6Very low153 Ų153129.7 Ų129.782%0.81872%0.718SS**  trans72.3165.5130.9-128.7-16.5000122.4I1485I1485-N1487 PolarHBondContact O-N 2.69Å
1488M29.6Very low32.3Very low159 Ų159126 Ų12678%0.78372%0.718SS**  trans73.194.8169.3-62.2-67.9-174.400121.4
1489N29.4Very low32.4Very low128 Ų128127.5 Ų127.568%0.68472%0.724SS**  23128.6127.8-81.2-13.4000122.7
1490F30.5Very low32.2Very low187 Ų187122.5 Ų122.582%0.8272%0.715SS**  trans57.3147.6143.9-62.5-59.3000119
1491S30Very low32.3Very low93 Ų93125.1 Ų125.165%0.6572%0.716SS**  cis-158.9169.4-3.1-110.90000109F1493S1491-F1493 PolarHBondContact O-N 2.7Å
1492S32.4Very low32.1Very low118 Ų118128.1 Ų128.183%0.82572%0.719SS**  trans-65.4125.9171.753.20000112.5
1493F30.4Very low32Very low191 Ų191125.5 Ų125.584%0.83871%0.712SS**  trans-61.6162.5166.5-73.2-70.3000111.7S1491S1491-F1493 PolarHBondContact O-N 2.7Å
1494H31.9Very low31.9Very low142 Ų142128 Ų12866%0.65772%0.719SS**  cis-158.5145.425-156.5-139000112.8
1495M35.3Very low31.8Very low133 Ų133131 Ų13166%0.65574%0.735SS**  trans63.8122.3162.5-62.1-70.1151.600118.4
1496N32Very low31.9Very low135 Ų135130.1 Ų130.172%0.72273%0.733SS**  88.9151.652.9-91.8-20000114.5
1497P43.3Very low31.9Very low122 Ų122133.1 Ų133.179%0.79274%0.743SS**  cis-132.2171.1-25.738.8-23.4000113.1
1498G28.8Very low31.8Very low83 Ų83128.9 Ų128.986%0.85673%0.726SS**  trans173.6141.2169.300000114.1
1499A33Very low32.2Very low92 Ų92126.3 Ų126.376%0.7672%0.719SS**  trans-103.4157.7179.300000112.2
1500S28.6Very low32.1Very low102 Ų102127.5 Ų127.571%0.71373%0.731SS**  trans30.1112.8152.159.60000118.6
1501H33.4Very low32.1Very low158 Ų158123.7 Ų123.773%0.73172%0.723SS**  -168.1171.1117-115.9-119.6000111.6
1502Q31.2Very low32.3Very low161 Ų161123 Ų12375%0.75272%0.723SS**  trans-1.8146.2148.1-68.9158-24.200117.2
1503S28.9Very low32.3Very low84 Ų84124.1 Ų124.159%0.58773%0.725SS**  cis169.3-178.61.7550000106.4
1504N31Very low32.6Very low129 Ų129121 Ų12169%0.6972%0.722SS**  trans59.1118.8150.8-62.8-3.4000119.1N1506N1504-N1506 PolarHBondContact O-N 3.02Å
1505N29.7Very low33.2Very low133 Ų133118.1 Ų118.171%0.71172%0.723SS**  trans-48.3106.5130.8-71.5-24.3000109.6S1508N1505-S1508 PolarHBondContact O-OG 3.25Å; N1505-S1508 VanDerWaalsContact O-OG 3.11Å
1506N31.6Very low33.3Very low137 Ų137117.3 Ų117.373%0.73373%0.725SS**SBendtrans-87.2135138.9-73.9-23.4000105.9N1504N1504-N1506 PolarHBondContact O-N 3.02Å
1507N39.6Very low33.5Very low155 Ų155118.1 Ų118.183%0.82973%0.729SS**SBendtrans58.967.2-166-50.2-13.6000112.3
1508S27.7Very low33.2Very low64 Ų64119.1 Ų119.145%0.44873%0.733SS.*  cis53.5127.439.1-630000113.1N1505N1505-S1508 PolarHBondContact O-OG 3.25Å; N1505-S1508 VanDerWaalsContact O-OG 3.11Å
1509T37.1Very low33.4Very low105 Ų105120.2 Ų120.264%0.64473%0.734SS**  trans67.4132.4174.577.90000115.5T1511T1509-T1511 VanDerWaalsContact CB-OG1 3.27Å; T1509-T1511 WeakPolarHBondContact CB-OG1 3.43Å; T1509-T1511 HydrophobicContact CG2-CG2 3.64Å; T1509-T1511 PolarHBondContact OG1-OG1 3.48Å
1510V27.1Very low33.6Very low154 Ų154121.6 Ų121.693%0.93374%0.738SS**  cis54.552.2-2.3-162.20000114.2
1511T31.2Very low33.9Very low107 Ų107124 Ų12466%0.65674%0.743SS**  trans-145.8141.7158.9490000109.9T1509T1509-T1511 VanDerWaalsContact CB-OG1 3.27Å; T1509-T1511 WeakPolarHBondContact CB-OG1 3.43Å; T1509-T1511 HydrophobicContact CG2-CG2 3.64Å; T1509-T1511 PolarHBondContact OG1-OG1 3.48Å
1512A34Very low34Very low78 Ų78121.1 Ų121.165%0.64574%0.741SS**  cis-165.6149.8-17.100000109.5
1513T32.7Very low34Very low141 Ų141121.1 Ų121.187%0.86575%0.746SS**SBendtrans-179.9110.113719.20000107.2
1514T35.7Very low34.1Very low126 Ų126121.1 Ų121.177%0.77375%0.751SS**  cis-143.3173.5-3.3480000111.2
1515A44.7Very low34.1Very low82 Ų82122.1 Ų122.168%0.67876%0.757SS**  trans-46.2147.8160.800000112.9
1516T38.5Very low34.2Very low116 Ų116122 Ų12271%0.71276%0.761SS**  cis-157129.8-3.28.20000111.7
1517N36.6Very low34.2Very low151 Ų151120.3 Ų120.381%0.80776%0.76SS**  trans49.5127.9140.7-59-1.1000120.2
1518T35.9Very low33.7Very low143 Ų143120.5 Ų120.588%0.87776%0.756SS**  cis-135.3156.81.745.70000111.1
1519A34.1Very low33.9Very low106 Ų106127.5 Ų127.588%0.87677%0.772SS**  trans-120.5168.2-170.100000113.9
1520S36Very low33.5Very low121 Ų121128.4 Ų128.485%0.84677%0.773SS**  trans-124.7-178.1-161.256.90000115.1
1521N35Very low33.9Very low152 Ų152126.6 Ų126.681%0.81376%0.762SS**  trans-76.6149.3-165-68.7-28.3000117
1522S35.3Very low34Very low98 Ų98125.8 Ų125.869%0.68576%0.761SS**  trans59.8113.6137.9660000122.9
1523N31.6Very low34Very low161 Ų161128.6 Ų128.686%0.86177%0.765SS**  trans74.6133.2130.4-69.3-2.4000124
1524A31.7Very low34.1Very low84 Ų84131.1 Ų131.169%0.69476%0.764SS**  trans88.1115.3145.700000121.1
1525N29.9Very low34Very low151 Ų151129.3 Ų129.381%0.80776%0.757SS**  trans50.2109.8143.1-53.9-11.1000119.8
1526T33Very low33.5Very low130 Ų130132 Ų13280%0.79876%0.76SS**  179.7144.385.439.70000113.5
1527S31.3Very low33.3Very low101 Ų101133.2 Ų133.271%0.70676%0.762SS**  trans44.7106.2148.562.80000122.6
1528E28.4Very low33.3Very low160 Ų160132.3 Ų132.375%0.74876%0.757SS**  87162.5110.6-152.9178.4-95.700120.8
1529W31.5Very low33.4Very low210 Ų210130.9 Ų130.980%0.79574%0.744SS**  trans75.6129.5179.5-6269000116.4
1530L30.2Very low33.6Very low125 Ų125132 Ų13265%0.65474%0.735SS**  cis156.8160.8-16-100.7167.7000104.9
1531T35Very low33.6Very low115 Ų115131.9 Ų131.971%0.70673%0.725SS**  cis-92.5-117.6139.40000111
1532S32.7Very low33.6Very low91 Ų91130.7 Ų130.764%0.63672%0.719SS**  cis-165.9160.2-6.4-126.90000107.3
1533N33.3Very low33.6Very low136 Ų136132.4 Ų132.473%0.72772%0.72SS**  cis-156.7172.8-3.2-156.3-82.2000109.1
1534K35.1Very low33.7Very low194 Ų194131.1 Ų131.184%0.84371%0.714SS**  trans63.8137.8179.4-76.5-175.7177.5-178.70115.6
1535S34Very low33.9Very low89 Ų89134.3 Ų134.362%0.62272%0.719SS**  cis-158.9128.45170.50000114.1
1536N34Very low33.9Very low139 Ų139135.7 Ų135.774%0.74372%0.718SS**  trans64.4143.5155.5-56.5-8.4000120.7
1537N34.2Very low33.9Very low141 Ų141136 Ų13675%0.75471%0.714SS**  cis92.9147.319.1-7538.9000116.5
1538N37.1Very low34Very low131 Ų131137.2 Ų137.270%0.70171%0.712SS**  cis-113.2-126.5-2.8-81.8-20.9000110.5
1539N37.4Very low34.2Very low113 Ų113134.7 Ų134.760%0.60471%0.708SS**  cis-163.1177.9-3.5-142.878.3000112.8
1540D39Very low34.3Very low129 Ų129131.6 Ų131.669%0.6971%0.706SS**  trans70.4141.5162.4-64.4-29000122.5
1541N36Very low34.4Very low120 Ų120132 Ų13264%0.64271%0.71SS**  cis-166.4160.2-36-129.5-42000114.6
1542N35.6Very low34.7Very low126 Ų126130.9 Ų130.967%0.67470%0.704SS**  trans75.5128.5154.3-70-33.7000125.7
1543N35.7Very low34.7Very low134 Ų134134.5 Ų134.572%0.71771%0.713SS**  trans79.5146.1143.4-66.7-24.8000123.5
1544N32.7Very low34.4Very low135 Ų135134.7 Ų134.772%0.72271%0.714SS**  -178.4130.1-55.2-102.3-36.6000110.6
1545N35.4Very low34Very low151 Ų151130.1 Ų130.181%0.80771%0.706SS**  trans153.7141.4156.9-86.3-13.1000110.6
1546F30.2Very low33.7Very low180 Ų180132.4 Ų132.479%0.78971%0.711SS**  cis-163.4175.8-28.1-141.7-91.1000107.5
1547L34.2Very low33.4Very low137 Ų137134.4 Ų134.472%0.71771%0.714SS**  trans73.992.9169-69.1161.9000119.2
1548N32.2Very low33.2Very low125 Ų125133.8 Ų133.867%0.66872%0.715SS**  89.498.1120-7317.7000122.8
1549T33Very low32.7Very low107 Ų107134.4 Ų134.466%0.65672%0.718SS**  90.9112.7116.551.70000121.4
1550L32.4Very low32.5Very low145 Ų145134.6 Ų134.676%0.75973%0.725SS**  trans73143.2133.7-58.7171.5000117.3
1551N34Very low32Very low135 Ų135133.7 Ų133.772%0.72272%0.719SS**  cis-159.4170.8-18.6-126.515.9000109.4
1552P41.5Very low31.6Very low90 Ų90133 Ų13358%0.58472%0.716SS**  -138.7-170.3-105.344.5-25.8000115.3
1553M31.1Very low32Very low168 Ų168133.1 Ų133.183%0.82872%0.716SS**  trans67.7139.7161-65.4-179176.800116.9
1554D27.4Very low32.2Very low140 Ų140132.9 Ų132.975%0.74972%0.722SS**  cis799332.8-66.6-47.4000116.4
1555S27.6Very low32.4Very low98 Ų98130.8 Ų130.869%0.68572%0.718SS**  trans75.3151132.7830000120.8
1556N27.3Very low31.9Very low136 Ų136128 Ų12873%0.72770%0.703SS**  trans78.7131.5149.2-73.4-46.4000121
1557F27Very low32Very low182 Ų182125.4 Ų125.480%0.79870%0.696SS**  trans71.9146158.6-88.9-108.2000120.6
1558T31.4Very low32.1Very low127 Ų127127 Ų12778%0.77970%0.698SS**  trans64.3130161.436.90000119.8
1559L26.3Very low31.8Very low145 Ų145129.5 Ų129.576%0.75970%0.703SS**  trans-44.8138.6151.7-62.3160.3000109.4I1561L1559-I1561 HydrophobicContact CB-CD1 4.31Å; L1559-I1561 HydrophobicContact CB-CG1 4.23Å; L1559-I1561 HydrophobicContact CD1-CD1 4.46Å; L1559-I1561 HydrophobicContact CD2-CG1 4.24Å
1560P32.6Very low31.9Very low116 Ų116129.6 Ų129.675%0.75371%0.705SS**  -115.815072.439.6-37.1000112.1
1561I28Very low31.6Very low111 Ų111128 Ų12857%0.56970%0.698SS**  cis67.8112.547.8-64.4175.3000112L1559L1559-I1561 HydrophobicContact CB-CD1 4.31Å; L1559-I1561 HydrophobicContact CB-CG1 4.23Å; L1559-I1561 HydrophobicContact CD1-CD1 4.46Å; L1559-I1561 HydrophobicContact CD2-CG1 4.24Å
1562N28.8Very low31.2Very low106 Ų106128.5 Ų128.557%0.56770%0.696SS**  trans67.6147.2164.7-61.1-22.8000114.4L1566N1562-L1566 WeakPolarHBondContact ND2-CD1 3.27Å
1563N44.5Very low30.8Very low128 Ų128132.8 Ų132.868%0.68471%0.707SS**  53130.757.1-62.3-37.9000111.8
1564P40Very low30.6Very low129 Ų129127.8 Ų127.884%0.83870%0.699SS**SBend-131.5125.112934.1-25.7000110.1
1565S35.5Very low30.8Very low90 Ų90128.6 Ų128.663%0.62970%0.702SS**  cis-145.2154.9-7.2-75.10000105.7
1566L26.2Very low30.8Very low94 Ų94130.9 Ų130.949%0.49271%0.706SS.*  44.4131.468.5-63.3167.9000110.3N1562N1562-L1566 WeakPolarHBondContact ND2-CD1 3.27Å
1567L32.1Very low31.1Very low125 Ų125132.3 Ų132.365%0.65471%0.713SS**  -157.3161.660.5-82.7164000110.9
1568F35Very low31.3Very low170 Ų170129.7 Ų129.775%0.74671%0.707SS**  trans60.9102158.6-61.5-47.4000115.2
1569F26.9Very low31.9Very low177 Ų177130 Ų13078%0.77671%0.711SS**  38.5131.255.1-71.3-77.7000112.5
1570P35Very low32.2Very low109 Ų109128.9 Ų128.971%0.70872%0.715SS**  cis-141.5-177.134.544-26.2000115.4
1571N25.6Very low32.3Very low113 Ų113127.2 Ų127.260%0.60472%0.718SS**  trans24144.8135.8-64.731.1000122.9
1572E26.1Very low32.6Very low145 Ų145129.7 Ų129.768%0.67873%0.731SS**  trans72.8155.9138.6-74.2163.1-110.300119.1
1573H33.5Very low33.2Very low179 Ų179129.7 Ų129.783%0.82974%0.737SS**  trans62.9130.9-171.9-42.1-73.1000112.9
1574G26.8Very low32.7Very low63 Ų63128.1 Ų128.165%0.64974%0.735SS**  cis97.1149.226.500000109.3
1575L31.3Very low32.3Very low157 Ų157127.9 Ų127.982%0.82273%0.732SS**  trans71.6120.8-168-42.9179.6000111.6
1576L27.7Very low32Very low147 Ų147134.2 Ų134.277%0.7774%0.744SS**  60.2110.555.1-54.6166.2000111.7
1577L32.9Very low32.9Very low165 Ų165134.4 Ų134.486%0.86475%0.751SS**  -167.7146.596.1-98.3166.2000112.9
1578N30.6Very low32.9Very low127 Ų127134 Ų13468%0.67975%0.749SS**  trans-68.9170.6171.2-56.5-49000110.8
1579P45.5Very low32.9Very low134 Ų134133.2 Ų133.287%0.8775%0.748SS**  -112.2151.592.632-35.1000114.4
1580C31.3Very low33.1Very low122 Ų122131.8 Ų131.882%0.82475%0.747SS**  trans-67.9152.8-162.7-51.30000115.1
1581G35.2Very low32.9Very low80 Ų80131.4 Ų131.483%0.82575%0.746SS**  trans-172.134.5-179.900000118.1
1582I34Very low33.2Very low163 Ų163130.8 Ų130.884%0.83675%0.751SS**  trans-70.2150.3169.2-72.2170.5000109.3
1583P41.2Very low33.6Very low107 Ų107128.5 Ų128.570%0.69575%0.751SS**  cis-139.7-178.21531.2-6.5000119
1584S33.7Very low33.6Very low94 Ų94126.9 Ų126.966%0.65775%0.749SS**  trans76.4111.6132.859.30000125.8
1585T33.2Very low33.9Very low125 Ų125132.1 Ų132.177%0.76776%0.756SS**  66.4113.3124.463.10000124
1586Y28.1Very low34.2Very low222 Ų222128.5 Ų128.587%0.87174%0.743SS**  19.1155.6105.9-79-83.8000120.6
1587P44.9Very low34.7Very low99 Ų99127.5 Ų127.564%0.64374%0.744SS**  cis-138.3-169.911.733.8-10.7000116.9
1588N32.2Very low34.7Very low117 Ų117126.3 Ų126.363%0.62674%0.738SS**  119.7139.5128.7-92.2-7.7000122.2
1589H34.3Very low34.7Very low153 Ų153129.3 Ų129.371%0.70875%0.745SS**  trans71.6155.8143.9-69.3-20.2000120.5
1590I32.6Very low34Very low147 Ų147127.4 Ų127.475%0.75474%0.735SS**  cis-169170.1-27.3-141.6177.9000106
1591S29.4Very low33.9Very low101 Ų101128.9 Ų128.971%0.70673%0.732SS**  cis-150.1-174.41.661.50000110.4
1592S32Very low33.8Very low100 Ų100134.1 Ų134.170%0.69973%0.732SS**  trans-103.8146.9157.854.90000111.8
1593S35.5Very low33.8Very low97 Ų97131.1 Ų131.168%0.67872%0.722SS**SBendtrans56.4109.4155.858.20000121.9
1594N32.7Very low33.4Very low145 Ų145134.1 Ų134.178%0.77573%0.726SS**  trans68.4132135-60.94.7000123.8
1595H34.5Very low33.2Very low172 Ų172139.7 Ų139.780%0.79674%0.739SS**  trans63.5153.5160.8-72.6-73.6000120.6
1596S37.5Very low33.2Very low81 Ų81139.1 Ų139.157%0.56674%0.736SS**  -169.4127-59.344.80000113.2
1597T38.1Very low33.4Very low127 Ų127133.5 Ų133.578%0.77972%0.721SS**  trans63.6156.6149.152.40000119.4
1598D32.7Very low32.7Very low139 Ų139137.9 Ų137.974%0.74373%0.726SS**  cis-159.3-168.93.8-136.4-36.3000114.5
1599F31Very low33Very low190 Ų190138.6 Ų138.683%0.83373%0.728SS**  trans111.8133.8161.3-75.9-73.6000115.9
1600S30.9Very low33Very low94 Ų94137.8 Ų137.866%0.65773%0.729SS**  cis-162.11781.274.40000109.9
1601M28.4Very low33.1Very low153 Ų153133.4 Ų133.475%0.75472%0.72SS**  cis-164.8157.6-5.5-145.5-168-63.300109.4
1602F34Very low33.3Very low190 Ų190138.1 Ų138.183%0.83373%0.728SS**  -177.1120.8129.4-121.4-94.8000112.7
1603T32.7Very low33.5Very low100 Ų100138 Ų13861%0.61373%0.728SS**  trans27.3117157.761.70000123.8
1604Q32.3Very low33.4Very low170 Ų170141 Ų14179%0.79474%0.735SS**  63115.9127.3-64.5179.1-10.800122.2
1605F30.6Very low33.4Very low212 Ų212136.9 Ų136.993%0.9373%0.727SS**  -147.9147.5104-114.2-80.6000109
1606T33.3Very low33.5Very low112 Ų112135.8 Ų135.869%0.68773%0.727SS**  trans-125.5-174.5-169.853.90000113.3
1607D31.8Very low33.2Very low105 Ų105139.8 Ų139.856%0.56174%0.739SS**  trans97.1110.7165-58.818000113.5
1608Y31.5Very low32.8Very low191 Ų191141 Ų14175%0.74974%0.74SS**  cis-152.8171.44.4-65124.3000108
1609I37.4Very low33Very low132 Ų132139.6 Ų139.668%0.67774%0.74SS**  cis-175.9145.8-16.6-97.9169.3000103
1610D34.8Very low33.6Very low136 Ų136135.8 Ų135.873%0.72774%0.735SS**  cis-161.9174.1-12.9-93-12.5000106.2
1611G34.1Very low33.7Very low55 Ų55136 Ų13657%0.56774%0.737SS**  cis170.8-86.2-0.600000112.6S1613G1611-S1613 VanDerWaalsContact O-CB 3.29Å; G1611-S1613 WeakPolarHBondContact O-CB 3.36Å; G1611-S1613 PolarHBondContact O-OG 3.11Å
1612F34.6Very low33.9Very low199 Ų199137 Ų13787%0.87374%0.744SS**  trans-63.3118.3-169.4-58.2-84.8000114.6
1613S36.3Very low33.8Very low98 Ų98133 Ų13369%0.68574%0.74SS**  cis72.8142.78.2-91.90000117.2G1611G1611-S1613 VanDerWaalsContact O-CB 3.29Å; G1611-S1613 WeakPolarHBondContact O-CB 3.36Å; G1611-S1613 PolarHBondContact O-OG 3.11Å
1614L33.2Very low33.8Very low160 Ų160136.4 Ų136.484%0.83875%0.754SS**  cis-163.5144.94.5-147.3172.9000112.5
1615G32.6Very low33.6Very low58 Ų58136.2 Ų136.260%0.59876%0.758SS**  trans132.2161.6157.200000116.2
1616N35.4Very low33.8Very low150 Ų150132.4 Ų132.480%0.80275%0.752SS**  cis-173.1167.4-4.8-88.3-32.5000107.3
1617M31.6Very low33.9Very low165 Ų165133 Ų13381%0.81376%0.761SS**  cis-164.2-178.4-8.1-111-82.687.800108.7
1618L30Very low33.8Very low153 Ų153131.9 Ų131.980%0.80177%0.774SS**  trans-146.9139.1-178.2-108177.7000117.1
1619S35.7Very low33.8Very low108 Ų108128.8 Ų128.876%0.75578%0.779SS**  trans66.3160.9161.579.50000118.6
1620P45.2Very low34.1Very low110 Ų110127.7 Ų127.771%0.71478%0.78SS**  -156.5161.182.843.2-23.4000120
1621S32.7Very low33.8Very low100 Ų100127.8 Ų127.870%0.69978%0.781SS**  trans55.5127.6136.671.10000126.8
1622L32.7Very low33.8Very low173 Ų173131.5 Ų131.591%0.90679%0.787SS**  trans77.3167.5134.6-97.471.4000122.6
1623S31Very low33.7Very low106 Ų106129 Ų12974%0.74178%0.782SS**  trans-139.7157.3-15357.30000114.3
1624N33.3Very low33.4Very low172 Ų172130.9 Ų130.992%0.9278%0.784SS**  trans-150.4160.5160.5-117.2-26.9000112.6
1625L28.6Very low33.3Very low166 Ų166129.4 Ų129.487%0.86978%0.776SS**  trans-117.8142.3-168.5-78.2146.3000113.3
1626T33.4Very low33.3Very low132 Ų132133 Ų13381%0.8178%0.782SS**  trans-150117.2154.548.30000112.9
1627S35.9Very low33.1Very low124 Ų124130.7 Ų130.787%0.86778%0.778SS**  trans36.7131.1144.260.40000122.6
1628G30.7Very low33.2Very low81 Ų81130.4 Ų130.484%0.83578%0.778SS**  trans165.572.3159.100000117.9
1629C29.9Very low33.5Very low127 Ų127130.9 Ų130.986%0.85878%0.775SS**  trans-101.4171.6167.1-77.70000110.5
1630P43.5Very low33.5Very low108 Ų108132.3 Ų132.370%0.70177%0.774SS**  cis-138.2-168.4-10.826.4-0.7000114.5
1631D29.4Very low33Very low138 Ų138132 Ų13274%0.73878%0.775SS**  102.1150.6121.8-109.3-35.2000125.9
1632L33.3Very low33.5Very low134 Ų134133.2 Ų133.270%0.70278%0.78SS**  trans72.199.7154.2-64.6169000123.8
1633L34.1Very low33.3Very low145 Ų145130.5 Ų130.576%0.75977%0.774SS**  48.9110116.9-62.9-177.7000123.3
1634N29.3Very low33.5Very low138 Ų138133.2 Ų133.274%0.73878%0.78SS**  73.1153.2105.7-153.115.2000122.5
1635L31.7Very low33.3Very low129 Ų129131.6 Ų131.668%0.67577%0.771SS**  trans81.5115.6165.2-61.4175.7000121.2
1636N32.2Very low33.4Very low133 Ų133128.4 Ų128.471%0.71176%0.758SS**  trans74.5104.8134.7-62.1-9.5000121.8
1637S30.2Very low33.3Very low103 Ų103129 Ų12972%0.7276%0.756SS**  65.8112.5121.2-51.80000120.3
1638I35.3Very low33Very low158 Ų158128 Ų12881%0.8175%0.749SS**  -174.2135.9101.9-94.6157.4000112.5
1639H35.6Very low32.9Very low163 Ų163131.1 Ų131.176%0.75575%0.746SS**  trans70.2128.2160.3-96.2-128.8000124
1640L35Very low32.9Very low139 Ų139131.8 Ų131.873%0.72874%0.74SS**  trans82.279.8145.7-64.4167.4000121.3
1641S35.6Very low32.5Very low104 Ų104132.4 Ų132.473%0.72774%0.742SS**  96.5135.4122.4-57.60000118.9
1642P43.4Very low32.8Very low125 Ų125133 Ų13381%0.81275%0.751SS**  trans-106.6173.8-168.642.2-37000114.7
1643C28.8Very low33Very low116 Ų116130.5 Ų130.578%0.78475%0.75SS**  trans-69.5139.2161.6-56.30000111
1644L33.5Very low33.1Very low163 Ų163128.9 Ų128.985%0.85375%0.746SS**  173.6126.9124-96.4165.1000114.2
1645N29.9Very low33.4Very low137 Ų137129.1 Ų129.173%0.73375%0.747SS**  trans72.9157136.6-147.79.2000121.6
1646T31.7Very low33.7Very low99 Ų99128.4 Ų128.461%0.60775%0.748SS**  trans60.9115.2164.446.20000120.7
1647N30.4Very low33.9Very low144 Ų144128 Ų12877%0.7775%0.751SS**  69.9109.4130-62.2-4.2000121
1648S28.8Very low34.2Very low103 Ų103128.1 Ų128.172%0.7275%0.747SS**  105.6151.6116.779.10000120.1
1649L29.7Very low34.2Very low147 Ų147127.5 Ų127.577%0.7775%0.751SS**  trans79.8120.6151.3-76.6163.3000120.7
1650I30.3Very low34.1Very low141 Ų141123 Ų12372%0.72375%0.749SS**  trans94.7139.8141.6-61.9158.8000118.6
1651T34.6Very low34Very low121 Ų121123 Ų12374%0.74276%0.755SS**  trans58.189.6169.443.10000118.9
1652T35.4Very low33.8Very low152 Ų152124 Ų12493%0.93376%0.757SS**  -102.9140.8116.237.80000108.8
1653A38.5Very low33.3Very low81 Ų81124.4 Ų124.467%0.66975%0.752SS**  trans-115166.6-170.700000110.3
1654T35.3Very low33.5Very low110 Ų110124.5 Ų124.568%0.67574%0.744SS**  cis-173148.5-36.239.60000105.6
1655N36.6Very low33.3Very low143 Ų143124.3 Ų124.377%0.76574%0.741SS**  trans70.4142.1167.2-50.9-25.6000116.1
1656T37.1Very low33.5Very low115 Ų115124 Ų12471%0.70674%0.738SS**  cis-169.9138.7-18.131.10000107.5
1657T36.3Very low33.6Very low125 Ų125125.3 Ų125.377%0.76774%0.742SS**  cis-141.7-88.3-11.315.90000109.9
1658T36.1Very low33.7Very low105 Ų105124.8 Ų124.864%0.64474%0.739SS**  cis-159.7143.9-17.8-32.90000109.4
1659T36.5Very low33.8Very low144 Ų144124.1 Ų124.188%0.88373%0.734SS**  trans43.1111.8171.152.40000119.1
1660G32.9Very low34Very low70 Ų70123.5 Ų123.572%0.72273%0.732SS**  trans-168.5-22.9175.200000120.4
1661T33.5Very low34.2Very low138 Ų138123.8 Ų123.885%0.84773%0.734SS**  trans61.1127.9172.844.10000120.6
1662V31.2Very low34.5Very low126 Ų126123 Ų12376%0.76473%0.731SS**  trans83.8133.1147.1173.90000119.1
1663N33.3Very low34.7Very low132 Ų132123.7 Ų123.771%0.70673%0.727SS**  trans64.6148.1176.8-71.232.3000116.3
1664D31.6Very low34.3Very low119 Ų119126.2 Ų126.264%0.63673%0.729SS**  cis-157.5154.2-5.4-116.2-31.9000110.8
1665M29.4Very low34.1Very low158 Ų158128.6 Ų128.678%0.77874%0.737SS**  trans61.9160.7151.2-71.1-178.512200119.3
1666L34.6Very low34.1Very low130 Ų130127 Ų12768%0.68174%0.737SS**  cis-151.7169.24.1-126.3158.3000109.9
1667D32.8Very low33.9Very low127 Ų127124.9 Ų124.968%0.67973%0.732SS**  trans63.3155.3171.4-9144.5000116.9
1668N32.9Very low33.9Very low133 Ų133129 Ų12971%0.71174%0.739SS**  cis-162.1163.5-32.9-124.9-28.1000106.6
1669S32.2Very low33.7Very low89 Ų89139.5 Ų139.562%0.62277%0.767SS**  cis-137.1-145.4-0.451.70000108.6
1670D33.6Very low33.6Very low134 Ų134139.3 Ų139.372%0.71776%0.761SS**  cis-156.4-160.18.9-148-86.7000111.2
1671L34.4Very low33.6Very low148 Ų148142.9 Ų142.978%0.77576%0.763SS**  trans-70.7162.4177.3-71.8163.5000114
1672P39.8Very low33.6Very low103 Ų103143.2 Ų143.267%0.66976%0.758SS**  cis-133.9-178.3-19.438.4-21.9000113.5
1673I40.4Very low33.8Very low168 Ų168144.2 Ų144.286%0.86276%0.758SS**  -173.7133.9125.5-95.9154.6000108.9
1674D30.8Very low33.8Very low133 Ų133144.9 Ų144.971%0.71176%0.761SS**  trans-98.7143.8-172.8-178.233.2000113.5
1675L29.8Very low33.9Very low160 Ų160146.7 Ų146.784%0.83877%0.769SS**  trans-110.183.1171.9-98.7171.6000109.6A1677L1675-A1677 PolarHBondContact O-N 3.02Å
1676S36.4Very low34.3Very low110 Ų110145.9 Ų145.977%0.76977%0.769SS**  trans-74.466.8172.949.70000112.3
1677A34Very low34.2Very low71 Ų71147.1 Ų147.159%0.58778%0.776SS**  trans-69.8146.9176.500000113L1675L1675-A1677 PolarHBondContact O-N 3.02Å
1678K36.7Very low34.4Very low211 Ų211148.8 Ų148.892%0.91778%0.784SS**  trans-156.9101.2143-103.8128.7-164151.20112.2
1679R31.4Very low34.5Very low325 Ų325150.2 Ų150.2100%1.22679%0.79SS**  trans-109.40144.8-92.5-174.3170.1-179.2-2107.8

Retrieved 1,679 of 1,679 residues in 361.4 ms (Link to these results)