A0A096M577_POEFO Loading...

AT hook, DNA binding motif, containing 1

AlphaFold DB , UniProt , Accession A0A096M577, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,066 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low55.3Low242 Ų242152.5 Ų152.5100%1.19283%0.828SS**  01530-70.411671.300109.6
2K42Very low56.6Low191 Ų191151.7 Ų151.783%0.8381%0.811SS**  trans-106.1104.7-179.2-164.6174.6-175.6178.90109N4K2-N4 PolarHBondContact O-N 3.1Å
3N52.4Low57.7Low152 Ų152146.5 Ų146.581%0.81379%0.791SS**  trans-83.996-175.152.7-34.5000111.1G5N3-G5 VanDerWaalsContact C-N 3.27Å; N3-G5 PolarHBondContact O-N 3.33Å
4N51.8Low57.6Low132 Ų132146.4 Ų146.471%0.70680%0.802SS**  trans-71.471.2-177.7-66.7-19.6000113K2 K6K2-N4 PolarHBondContact O-N 3.1Å; N4-K6 PolarHBondContact O-N 3.37Å
5G54.1Low57.8Low83 Ų83141.5 Ų141.586%0.85680%0.798SS**SBendtrans66-11.116400000118.1N3N3-G5 VanDerWaalsContact C-N 3.27Å; N3-G5 PolarHBondContact O-N 3.33Å
6K60.5Low57.6Low185 Ų185142.2 Ų142.280%0.80479%0.793SS**  trans-84.9120.1-178.5-66.1176.7-177-176.40110.4N4 V8N4-K6 PolarHBondContact O-N 3.37Å; K6-V8 PolarHBondContact O-N 2.93Å; K6-V8 VanDerWaalsContact O-N 3.17Å
7S51.1Low57.5Low112 Ų112142.6 Ų142.678%0.78379%0.792SS**  trans-65.7109.3173.639.90000110.4M9S7-M9 PolarHBondContact O-N 3.28Å
8V55.8Low57.2Low131 Ų131139.7 Ų139.779%0.79478%0.781SS**  trans-72.898.3172.6179.90000108.1K6 V10K6-V8 PolarHBondContact O-N 2.93Å; K6-V8 VanDerWaalsContact O-N 3.17Å; V8-V10 PolarHBondContact O-N 2.69Å; V8-V10 VanDerWaalsContact O-N 3.12Å
9M62.1Low56.9Low171 Ų171138.8 Ų138.884%0.84278%0.779SS**  trans-73.7101.1176.4-161.6-174.4-5200109S7 M11S7-M9 PolarHBondContact O-N 3.28Å; M9-M11 PolarHBondContact O-N 3.43Å
10V71.1Confident56.8Low103 Ų103139.1 Ų139.162%0.62478%0.777SS**  trans-72.193.1177-178.90000108.9V8 F12V8-V10 PolarHBondContact O-N 2.69Å; V8-V10 VanDerWaalsContact O-N 3.12Å; V10-F12 HydrophobicContact CG1-CE2 4.27Å; V10-F12 HydrophobicContact CG1-CZ 4.29Å; V10-F12 PolarHBondContact O-N 2.72Å
11M69.2Low56.2Low175 Ų175139.4 Ų139.486%0.86278%0.777SS**  trans-79.5105.2175.9-171.1171.672.300109.4M9M9-M11 PolarHBondContact O-N 3.43Å
12F71.1Confident56.6Low143 Ų143137.1 Ų137.163%0.62776%0.76SS**  trans-65.9141.8172.6-69.1-86.5000110.5V10V10-F12 HydrophobicContact CG1-CE2 4.27Å; V10-F12 HydrophobicContact CG1-CZ 4.29Å; V10-F12 PolarHBondContact O-N 2.72Å
13P70.9Confident56.8Low84 Ų84139.5 Ų139.555%0.54576%0.764SS.*  trans-64140.8178.626.6-34.1000111.1G15 E16P13-G15 PolarHBondContact O-N 3.06Å; P13-E16 PolarHBondContact O-N 3.2Å
14P56Low56.5Low145 Ų145143.5 Ų143.594%0.94277%0.767SS**THydrogen-bonded Turntrans-7094.1-176.428.4-34.9000111.5
15G60.6Low56.6Low73 Ų73149.7 Ų149.775%0.75378%0.781SS**THydrogen-bonded Turntrans165.8-39.9177.200000112P13 L17P13-G15 PolarHBondContact O-N 3.06Å; G15-L17 PolarHBondContact O-N 3.36Å
16E55Low56.1Low153 Ų153148.8 Ų148.872%0.71577%0.771SS**  trans-91.575179.8-64-166.3157.800111.5P13 P18P13-E16 PolarHBondContact O-N 3.2Å; E16-P18 WeakPolarHBondContact O-CD 3.14Å
17L56Low55.8Low149 Ų149150.5 Ų150.578%0.7877%0.773SS**  trans-63.2122.6163.2-72.2175000108.8G15 V19G15-L17 PolarHBondContact O-N 3.36Å; L17-V19 PolarHBondContact O-N 3.07Å
18P52.8Low55.7Low91 Ų91150.7 Ų150.759%0.59177%0.771SS**  trans-60.4118.4169.924.9-32.3000107.8E16 I20E16-P18 WeakPolarHBondContact O-CD 3.14Å; P18-I20 PolarHBondContact O-N 3.22Å
19V51Low55.4Low123 Ų123150.3 Ų150.375%0.74577%0.771SS**  trans-74.178.9-175.6-174.20000109.2L17 L21L17-V19 PolarHBondContact O-N 3.07Å; V19-L21 VanDerWaalsContact C-N 3.26Å; V19-L21 HydrophobicContact CG1-CD2 4.16Å; V19-L21 HydrophobicContact CG1-CG 4.3Å; V19-L21 PolarHBondContact O-N 3.38Å
20I53.9Low54.5Low144 Ų144152.1 Ų152.174%0.73878%0.775SS**  trans-63.693.2170.3-60.6173.2000106.5P18 K22P18-I20 PolarHBondContact O-N 3.22Å; I20-K22 PolarHBondContact O-N 3.19Å
21L44.4Very low53Low146 Ų146156.3 Ų156.376%0.76479%0.787SS**  trans-64.282.8174-76.3174.2000109.1V19 R23V19-L21 VanDerWaalsContact C-N 3.26Å; V19-L21 HydrophobicContact CG1-CD2 4.16Å; V19-L21 HydrophobicContact CG1-CG 4.3Å; V19-L21 PolarHBondContact O-N 3.38Å; L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 3.21Å
22K47.7Very low51.3Low193 Ų193152.3 Ų152.384%0.83978%0.782SS**  trans-58.688.7178.6-175.1171.3-173.7166.10108.6I20 R24I20-K22 PolarHBondContact O-N 3.19Å; K22-R24 PolarHBondContact O-N 2.76Å
23R45.6Very low50Low242 Ų242153.7 Ų153.791%0.91380%0.795SS**  trans-5783-177.5-88.5-177.2-90.7156.8-7110.7L21 R25L21-R23 VanDerWaalsContact C-N 3.29Å; L21-R23 PolarHBondContact O-N 3.21Å; R23-R25 PolarHBondContact O-N 2.87Å
24R46.7Very low48.5Very low235 Ų235155.8 Ų155.889%0.88781%0.808SS**  trans-65107-179.7-163.3176.4-163.2-110.65.3106.8K22 G26K22-R24 PolarHBondContact O-N 2.76Å; R24-G26 VanDerWaalsContact C-N 3.31Å; R24-G26 PolarHBondContact O-N 3.49Å
25R52.4Low47.4Very low263 Ų263152.1 Ų152.199%0.99280%0.797SS**SBendtrans-58.394.1178.5-83-170.9171.8-158.8-0.5109.9R23R23-R25 PolarHBondContact O-N 2.87Å
26G44.5Very low46.1Very low63 Ų63157.2 Ų157.265%0.64981%0.805SS**  trans-158.1157-175.300000107.8R24R24-G26 VanDerWaalsContact C-N 3.31Å; R24-G26 PolarHBondContact O-N 3.49Å
27R52.9Low44.8Very low222 Ų222158.7 Ų158.784%0.83881%0.812SS**PPolyproline II helixtrans-67.3153.7-175.8-64.1174.5-177.4172.5-1.1110.6
28P50.7Low43.6Very low116 Ų116158.1 Ų158.175%0.75381%0.814SS**PPolyproline II helixtrans-52.9140.6166.224.5-34.5000109.7K30P28-K30 PolarHBondContact O-N 3.46Å
29P49.2Very low42.4Very low122 Ų122162.1 Ų162.179%0.79283%0.825SS**PPolyproline II helixtrans-57.5132.3173.3-22.633.4000110.1Q31P29-Q31 PolarHBondContact O-N 2.91Å; P29-Q31 VanDerWaalsContact O-N 3.15Å
30K43.2Very low41.7Very low210 Ų210161.5 Ų161.591%0.91382%0.822SS**  trans-70.2105.6160.5-80.4-167.3169-161.50107.1P28 A32P28-K30 PolarHBondContact O-N 3.46Å; K30-A32 PolarHBondContact O-N 3.34Å
31Q38.9Very low40.8Very low191 Ų191160.6 Ų160.689%0.89383%0.825SS**PPolyproline II helixtrans-63.7130.2154.5-82-179.1-39.400107.7P29P29-Q31 PolarHBondContact O-N 2.91Å; P29-Q31 VanDerWaalsContact O-N 3.15Å
32A34.9Very low40.1Very low90 Ų90158.6 Ų158.674%0.74482%0.823SS**PPolyproline II helixtrans-84.1135.816200000107.6K30 P34K30-A32 PolarHBondContact O-N 3.34Å; A32-P34 WeakPolarHBondContact O-CD 3.43Å
33L43.3Very low39.3Very low172 Ų172154.4 Ų154.490%0.90183%0.825SS**PPolyproline II helixtrans-78.8121.3168.5-81.1155.3000108.7G35L33-G35 PolarHBondContact O-N 3.25Å
34P38.3Very low38.5Very low128 Ų128146 Ų14683%0.83181%0.813SS**PPolyproline II helixtrans-70.8121.8158.1-8.226.6000107.5A32A32-P34 WeakPolarHBondContact O-CD 3.43Å
35G33.3Very low37.7Very low69 Ų69141.2 Ų141.271%0.71181%0.81SS**PPolyproline II helixtrans-92.9168.6-175.100000114.1L33L33-G35 PolarHBondContact O-N 3.25Å
36I32.6Very low36.7Very low179 Ų179134.9 Ų134.992%0.91880%0.801SS**  trans-122.8147.7155.9-64.4-179.5000106.5
37Q28.8Very low35.9Very low185 Ų185135.3 Ų135.386%0.86480%0.799SS**  trans-101.2164.9-164.4-61.4167.3-55.100113.3
38V29.6Very low34.9Very low136 Ų136132.6 Ų132.682%0.82480%0.799SS**  trans149.3134.2151.7155.50000108
39E27.7Very low34Very low176 Ų176133.9 Ų133.982%0.82281%0.805SS**  cis-152.4-172.6-29.2-167.7151.7176.700107.9
40V37.2Very low33.1Very low110 Ų110131.2 Ų131.267%0.66780%0.799SS**  trans-119.9140.7-158.5173.60000112.5S42V40-S42 WeakPolarHBondContact CG1-OG 3.24Å
41P34.7Very low32.6Very low124 Ų124128.3 Ų128.381%0.80579%0.794SS**  -121.1135.6112-4.324.8000111.2
42S29.9Very low32.4Very low104 Ų104126.3 Ų126.373%0.72779%0.785SS**  69.6128.850-66.80000112.9V40V40-S42 WeakPolarHBondContact CG1-OG 3.24Å
43A30.6Very low32.7Very low106 Ų106127.3 Ų127.388%0.87678%0.783SS**  cis-154.61682.400000110.2
44G28.9Very low32.4Very low64 Ų64129 Ų12966%0.6678%0.784SS**  cis168.7-152.2-1.300000112.5
45T29.6Very low32.5Very low135 Ų135132 Ų13283%0.82878%0.783SS**  trans70.2123160.1-41.60000117.2
46T31.5Very low32.7Very low130 Ų130135.2 Ų135.280%0.79879%0.792SS**  cis-168169.6-18.224.90000106.9
47A29.2Very low33.1Very low73 Ų73137.9 Ų137.960%0.60379%0.79SS**  cis179143.8-41.100000108.3
48I31.6Very low34.1Very low165 Ų165140.4 Ų140.485%0.84679%0.792SS**  trans69140.5167.7-52.6152.8000113.7
49T31.1Very low34.8Very low142 Ų142144.4 Ų144.487%0.87179%0.792SS**  cis-114.8-149.68-13.30000110.8
50G30.5Very low35.9Very low66 Ų66147.2 Ų147.268%0.6880%0.795SS**  cis173.6-171.92.700000114.2
51D32.8Very low36.7Very low150 Ų150153.6 Ų153.680%0.80281%0.807SS**  trans-94.7134.5-162.6-90.3-51.6000119.3
52Q34.1Very low37.6Very low149 Ų149153.4 Ų153.470%0.69680%0.804SS**  trans61.8179.8133.1-55.5-68.4-2.500120.6
53P40.8Very low38.5Very low111 Ų111158.2 Ų158.272%0.72181%0.812SS**  -116.6100.2-68.232.1-20.6000111.1
54K37.6Very low40Very low208 Ų208160.2 Ų160.290%0.90481%0.807SS**  trans-91.5120.4-176.8-75.9172.2-178.3165.60113
55K40.8Very low41.4Very low190 Ų190162.4 Ų162.483%0.82681%0.81SS**  trans-28.5142.5175-59163.2-175.2171.50113.9R57K55-R57 PolarHBondContact O-N 2.93Å
56P36.8Very low42Very low136 Ų136160.9 Ų160.988%0.88380%0.803SS**  trans-64.890.8-175.827.1-35.5000112.5R58P56-R58 PolarHBondContact O-N 2.82Å
57R41.9Very low43Very low235 Ų235160.5 Ų160.589%0.88780%0.803SS**  trans-55.8108.7173.7177.8175.9172.5-177-2.4109K55 R59K55-R57 PolarHBondContact O-N 2.93Å; R57-R59 PolarHBondContact O-N 3.19Å
58R48.4Very low43.8Very low239 Ų239165.7 Ų165.790%0.90281%0.812SS**  trans-42.495.4177.3178.7-177.4176.3-169.20.1110.4P56 R60P56-R58 PolarHBondContact O-N 2.82Å; R58-R60 PolarHBondContact O-N 3.45Å; R58-R60 VanDerWaalsContact O-N 3.11Å
59R46.1Very low44.8Very low219 Ų219163.5 Ų163.583%0.82681%0.809SS**  trans-59.8119.4178.3-83.7-169.5172.4-153.3-1.4107.9R57 R61R57-R59 PolarHBondContact O-N 3.19Å; R59-R61 PolarHBondContact O-N 3.39Å
60R50.6Low45.4Very low236 Ų236161.7 Ų161.789%0.89180%0.802SS**  trans-48.8133158.9-86.3178.9160.1-177.1-6.7106.8R58 T62R58-R60 PolarHBondContact O-N 3.45Å; R58-R60 VanDerWaalsContact O-N 3.11Å; R60-T62 VanDerWaalsContact C-N 3.34Å; R60-T62 PolarHBondContact O-N 3.29Å
61R53.4Low46.2Very low243 Ų243167.2 Ų167.292%0.91780%0.804SS**  trans-68.897.5172.2-64.8174.680.5-173.35106.6R59 K63R59-R61 PolarHBondContact O-N 3.39Å; R61-K63 PolarHBondContact O-N 3.28Å; R61-K63 VanDerWaalsContact O-N 3.1Å
62T53.7Low47Very low120 Ų120164.1 Ų164.174%0.73679%0.79SS**  trans-53.7114.4157.944.30000106.1R60 L64R60-T62 VanDerWaalsContact C-N 3.34Å; R60-T62 PolarHBondContact O-N 3.29Å; T62-L64 PolarHBondContact O-N 3.09Å
63K49Very low47.9Very low205 Ų205164 Ų16489%0.89179%0.794SS**  trans-59.7115170.6-71.1-175.4177.9-1770105.8R61R61-K63 PolarHBondContact O-N 3.28Å; R61-K63 VanDerWaalsContact O-N 3.1Å
64L61.4Low48.3Very low149 Ų149164.6 Ų164.678%0.7879%0.791SS**PPolyproline II helixtrans-67.9144.3158.9-63.6174.9000106.4T62T62-L64 PolarHBondContact O-N 3.09Å
65P58.9Low48.9Very low110 Ų110158.7 Ų158.771%0.71477%0.773SS**PPolyproline II helixtrans-57.2152.8169.126.3-33.7000109.7
66C41.4Very low49.5Very low102 Ų102156.3 Ų156.369%0.68977%0.769SS**PPolyproline II helixtrans-58.4142.2168.332.30000109.6F68C66-F68 PolarHBondContact O-N 2.77Å
67P52.5Low50.5Low123 Ų123155.1 Ų155.180%0.79976%0.755SS**PPolyproline II helixtrans-64.4124.6169.328.1-32.3000108.3
68F46.8Very low51.2Low181 Ų181149.4 Ų149.479%0.79475%0.746SS**PPolyproline II helixtrans-62.4143.5169.5-71.4-84.4000109.6C66 S70C66-F68 PolarHBondContact O-N 2.77Å; F68-S70 PolarHBondContact O-N 3.24Å
69P51.6Low51.5Low119 Ų119146.5 Ų146.577%0.77374%0.74SS**  trans-68.7102176.728.2-33.7000109.9Y71P69-Y71 VanDerWaalsContact C-N 3.35Å; P69-Y71 PolarHBondContact O-N 3.23Å
70S45.4Very low51.9Low105 Ų105140.4 Ų140.473%0.73474%0.737SS**  trans-73.587.2173.657.90000110.1F68 V72F68-S70 PolarHBondContact O-N 3.24Å; S70-V72 PolarHBondContact O-N 3.12Å; S70-V72 VanDerWaalsContact O-N 3.09Å
71Y47Very low52.2Low182 Ų182135.6 Ų135.671%0.71472%0.724SS**  trans-65104.5161.3-117.5-93.8000107.7P69 N73P69-Y71 VanDerWaalsContact C-N 3.35Å; P69-Y71 PolarHBondContact O-N 3.23Å; Y71-N73 PolarHBondContact O-N 3.04Å
72V49Very low52.1Low84 Ų84131.6 Ų131.651%0.50971%0.71SS.*  trans-74.9111.3170.3177.20000106.2S70 D74S70-V72 PolarHBondContact O-N 3.12Å; S70-V72 VanDerWaalsContact O-N 3.09Å; V72-D74 HydrophobicContact CG1-CB 4.14Å; V72-D74 PolarHBondContact O-N 3.4Å; V72-D74 VanDerWaalsContact O-N 3.14Å
73N53.9Low52.8Low147 Ų147127.8 Ų127.879%0.78670%0.695SS**THydrogen-bonded Turntrans-77.62.8-169.9-137.946.7000113.3Y71Y71-N73 PolarHBondContact O-N 3.04Å
74D48.4Very low53.8Low124 Ų124122 Ų12266%0.66367%0.674SS**THydrogen-bonded Turntrans-99.5-2.3-171-49.3-55.6000113.6V72 N76V72-D74 HydrophobicContact CG1-CB 4.14Å; V72-D74 PolarHBondContact O-N 3.4Å; V72-D74 VanDerWaalsContact O-N 3.14Å; D74-N76 PolarHBondContact O-N 2.97Å; D74-N76 PolarHBondContact O-ND2 3.45Å
75T50Low54.2Low84 Ų84118.6 Ų118.652%0.51566%0.659SS.*  trans-67.695.2170.751.80000109.4D77T75-D77 WeakPolarHBondContact CB-OD2 3.36Å; T75-D77 PolarHBondContact O-N 2.76Å
76N52.8Low54.9Low140 Ų140117.9 Ų117.975%0.74965%0.649SS**  trans-77.250.2-176.5-86.7-99.3000112.4D74 V78D74-N76 PolarHBondContact O-N 2.97Å; D74-N76 PolarHBondContact O-ND2 3.45Å; N76-V78 PolarHBondContact O-N 2.79Å
77D58Low56.3Low110 Ų110115.9 Ų115.959%0.58864%0.636SS**  trans-73.822.5176-53.3-38.7000112T75 K79T75-D77 WeakPolarHBondContact CB-OD2 3.36Å; T75-D77 PolarHBondContact O-N 2.76Å; D77-K79 PolarHBondContact O-N 3.3Å
78V56.5Low56.9Low115 Ų115116 Ų11670%0.69762%0.624SS**SBendtrans-105.467.2-171.2-169.70000109.9N76N76-V78 PolarHBondContact O-N 2.79Å
79K55.1Low58.1Low179 Ų179111.6 Ų111.678%0.77861%0.608SS**SBendtrans174.2-35.5143.6-94.9148.1-167170.60113.7D77D77-K79 PolarHBondContact O-N 3.3Å
80A55.4Low58.6Low91 Ų91108.3 Ų108.375%0.75259%0.591SS**Hα-helixtrans-62-56.1-172.800000112.5Y82 G83A80-Y82 VanDerWaalsContact C-N 3.27Å; A80-Y82 PolarHBondContact O-N 3.2Å; A80-G83 PolarHBondContact O-N 3.28Å
81E56.5Low59.3Low134 Ų134111.9 Ų111.963%0.62659%0.593SS**Hα-helixtrans-71.3-20.1-174.9-56.9-167.3148.500113.6G83 D84 V85E81-G83 VanDerWaalsContact C-N 3.26Å; E81-G83 PolarHBondContact O-N 3.09Å; E81-D84 WeakPolarHBondContact O-CA 3.35Å; E81-D84 VanDerWaalsContact O-CB 3.31Å; E81-D84 WeakPolarHBondContact O-CB 3.45Å; E81-D84 PolarHBondContact O-N 3.03Å; E81-V85 PolarHBondContact O-N 2.58Å
82Y51.6Low60.1Low159 Ų159110.2 Ų110.262%0.62460%0.596SS**Hα-helixtrans-68.5-28.2175.7-143-89.3000112A80 D84 L86A80-Y82 VanDerWaalsContact C-N 3.27Å; A80-Y82 PolarHBondContact O-N 3.2Å; Y82-D84 VanDerWaalsContact C-N 3.3Å; Y82-L86 HydrophobicContact CD1-CD1 3.76Å; Y82-L86 HydrophobicContact CD1-CG 3.93Å; Y82-L86 HydrophobicContact CE1-CD1 4.02Å; Y82-L86 HydrophobicContact CE1-CD2 4.34Å; Y82-L86 HydrophobicContact CE1-CG 4.06Å; Y82-L86 WeakPolarHBondContact O-CB 3.44Å; Y82-L86 WeakPolarHBondContact O-CG 3.43Å; Y82-L86 PolarHBondContact O-N 3.4Å
83G68.1Low60.5Low41 Ų41113 Ų11342%0.42361%0.608SS.*Hα-helixtrans-66.6-32.8168.700000112.6A80 E81 S87A80-G83 PolarHBondContact O-N 3.28Å; E81-G83 VanDerWaalsContact C-N 3.26Å; E81-G83 PolarHBondContact O-N 3.09Å; G83-S87 WeakPolarHBondContact O-CB 3.21Å; G83-S87 PolarHBondContact O-N 2.96Å; G83-S87 PolarHBondContact O-OG 3.29Å
84D68.6Low60.5Low84 Ų84115.9 Ų115.945%0.44961%0.608SS.*Hα-helixtrans-73.6-37.3177.7-137.262.1000111.6E81 Y82 S87 K88E81-D84 WeakPolarHBondContact O-CA 3.35Å; E81-D84 VanDerWaalsContact O-CB 3.31Å; E81-D84 WeakPolarHBondContact O-CB 3.45Å; E81-D84 PolarHBondContact O-N 3.03Å; Y82-D84 VanDerWaalsContact C-N 3.3Å; D84-S87 WeakPolarHBondContact CA-OG 3.39Å; D84-S87 PolarHBondContact O-OG 2.82Å; D84-K88 WeakPolarHBondContact O-CB 3.29Å; D84-K88 WeakPolarHBondContact O-CD 3.44Å; D84-K88 VanDerWaalsContact O-CG 3.23Å; D84-K88 WeakPolarHBondContact O-CG 3.46Å; D84-K88 PolarHBondContact O-N 3.4Å; D84-K88 VanDerWaalsContact O-N 3.09Å; D84-K88 VanDerWaalsContact OD2-CE 3.3Å; D84-K88 WeakPolarHBondContact OD2-CE 3.32Å; D84-K88 IonicContact OD2-NZ 3.57Å; D84-K88 PolarHBondContact OD2-NZ 3.37Å
85V70.8Confident60.8Low76 Ų76118.4 Ų118.446%0.46162%0.616SS.*Hα-helixtrans-67.2-48.2171.6175.90000111.1E81 S87 K88 L89E81-V85 PolarHBondContact O-N 2.58Å; V85-S87 PolarHBondContact O-N 2.98Å; V85-K88 PolarHBondContact O-N 3.16Å; V85-L89 HydrophobicContact CG1-CD1 4.12Å; V85-L89 WeakPolarHBondContact O-CG 3.26Å; V85-L89 PolarHBondContact O-N 3.45Å
86L74.4Confident61.4Low96 Ų96119.7 Ų119.750%0.50363%0.625SS.*Hα-helixtrans-67.6-34.2179.9-72.3176.5000112.8Y82 L89 A90Y82-L86 HydrophobicContact CD1-CD1 3.76Å; Y82-L86 HydrophobicContact CD1-CG 3.93Å; Y82-L86 HydrophobicContact CE1-CD1 4.02Å; Y82-L86 HydrophobicContact CE1-CD2 4.34Å; Y82-L86 HydrophobicContact CE1-CG 4.06Å; Y82-L86 WeakPolarHBondContact O-CB 3.44Å; Y82-L86 WeakPolarHBondContact O-CG 3.43Å; Y82-L86 PolarHBondContact O-N 3.4Å; L86-L89 PolarHBondContact O-N 3.01Å; L86-A90 WeakPolarHBondContact O-CB 3.34Å; L86-A90 PolarHBondContact O-N 3.28Å
87S69.4Low61.2Low59 Ų59118.4 Ų118.441%0.41363%0.625SS.*Hα-helixtrans-72.5-36.3175.258.20000112.6G83 D84 V85 A90 F91G83-S87 WeakPolarHBondContact O-CB 3.21Å; G83-S87 PolarHBondContact O-N 2.96Å; G83-S87 PolarHBondContact O-OG 3.29Å; D84-S87 WeakPolarHBondContact CA-OG 3.39Å; D84-S87 PolarHBondContact O-OG 2.82Å; V85-S87 PolarHBondContact O-N 2.98Å; S87-A90 PolarHBondContact O-N 2.84Å; S87-F91 PolarHBondContact O-N 2.97Å
88K65.8Low60.7Low127 Ų127118.3 Ų118.355%0.55264%0.639SS**Hα-helixtrans-62.5-40.7169.5-75.4165.7-171.2157.30112.1D84 V85 F91 L92D84-K88 WeakPolarHBondContact O-CB 3.29Å; D84-K88 WeakPolarHBondContact O-CD 3.44Å; D84-K88 VanDerWaalsContact O-CG 3.23Å; D84-K88 WeakPolarHBondContact O-CG 3.46Å; D84-K88 PolarHBondContact O-N 3.4Å; D84-K88 VanDerWaalsContact O-N 3.09Å; D84-K88 VanDerWaalsContact OD2-CE 3.3Å; D84-K88 WeakPolarHBondContact OD2-CE 3.32Å; D84-K88 IonicContact OD2-NZ 3.57Å; D84-K88 PolarHBondContact OD2-NZ 3.37Å; V85-K88 PolarHBondContact O-N 3.16Å; K88-F91 PolarHBondContact O-N 2.99Å; K88-L92 PolarHBondContact O-N 2.88Å
89L72.3Confident60.3Low88 Ų88119.1 Ų119.146%0.46164%0.644SS.*Hα-helixtrans-68-36172.5-69.9171000112.6V85 L86 F91 L92 N93V85-L89 HydrophobicContact CG1-CD1 4.12Å; V85-L89 WeakPolarHBondContact O-CG 3.26Å; V85-L89 PolarHBondContact O-N 3.45Å; L86-L89 PolarHBondContact O-N 3.01Å; L89-F91 VanDerWaalsContact C-N 3.3Å; L89-F91 PolarHBondContact O-N 2.88Å; L89-L92 PolarHBondContact O-N 3Å; L89-N93 PolarHBondContact O-N 3.28Å
90A61.5Low59.9Low49 Ų49113.7 Ų113.741%0.40564%0.639SS.*Hα-helixtrans-66.5-31173.500000112.6L86 S87 L92 N93 R94L86-A90 WeakPolarHBondContact O-CB 3.34Å; L86-A90 PolarHBondContact O-N 3.28Å; S87-A90 PolarHBondContact O-N 2.84Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-N93 PolarHBondContact O-N 2.88Å; A90-R94 PolarHBondContact O-N 3.34Å; A90-R94 VanDerWaalsContact O-N 3.07Å
91F60.1Low59.7Low180 Ų180121.7 Ų121.779%0.78965%0.65SS**Hα-helixtrans-69.2-28.3172.7-133.6-79.2000112.6S87 K88 L89S87-F91 PolarHBondContact O-N 2.97Å; K88-F91 PolarHBondContact O-N 2.99Å; L89-F91 VanDerWaalsContact C-N 3.3Å; L89-F91 PolarHBondContact O-N 2.88Å
92L63.5Low59.1Low147 Ų147121.1 Ų121.177%0.7766%0.659SS**Hα-helixtrans-81.9-29.4172.3-67.4169.2000112.9K88 L89 A90K88-L92 PolarHBondContact O-N 2.88Å; L89-L92 PolarHBondContact O-N 3Å; A90-L92 VanDerWaalsContact C-N 3.31Å
93N57.8Low58.6Low143 Ų143118.3 Ų118.377%0.76566%0.663SS**Hα-helixtrans-84.4-11.9178-97.8-41.5000114.5L89 A90 Q95L89-N93 PolarHBondContact O-N 3.28Å; A90-N93 PolarHBondContact O-N 2.88Å; N93-Q95 PolarHBondContact O-N 3.11Å
94R53.7Low58.1Low207 Ų207121.6 Ų121.678%0.78168%0.677SS**SBendtrans-80.897.3168.7-79.4-174.2171.3-170.8-3.2109.6A90A90-R94 PolarHBondContact O-N 3.34Å; A90-R94 VanDerWaalsContact O-N 3.07Å
95Q55.2Low57.3Low177 Ų177123 Ų12383%0.82769%0.691SS**PPolyproline II helixtrans-48.5128.6159.8-74.8-173.3-1300108.8N93N93-Q95 PolarHBondContact O-N 3.11Å
96P61.6Low56.3Low111 Ų111130.1 Ų130.172%0.72171%0.709SS**PPolyproline II helixtrans-56.9137.5168.7-23.434000109.5A98P96-A98 PolarHBondContact O-N 3.17Å
97P49.5Very low55.2Low114 Ų114130.8 Ų130.874%0.7472%0.721SS**PPolyproline II helixtrans-51.8136.2165.9-23.733.9000109.1T99P97-T99 VanDerWaalsContact C-N 3.27Å; P97-T99 PolarHBondContact O-N 3.13Å
98A46.7Very low54Low107 Ų107140 Ų14088%0.88475%0.747SS**  trans-70.277.3-168.300000113P96 G100P96-A98 PolarHBondContact O-N 3.17Å; A98-G100 PolarHBondContact O-N 2.82Å
99T49.1Very low52.9Low132 Ų132139 Ų13981%0.8175%0.752SS**  trans-62107.3169.952.20000108.6P97P97-T99 VanDerWaalsContact C-N 3.27Å; P97-T99 PolarHBondContact O-N 3.13Å
100G46.4Very low51.4Low65 Ų65140.1 Ų140.167%0.6776%0.764SS**  trans-64.4139.5-162.700000114.9A98 C102A98-G100 PolarHBondContact O-N 2.82Å; G100-C102 PolarHBondContact O-N 3.03Å
101R51.8Low50.5Low259 Ų259143.3 Ų143.398%0.97778%0.783SS**  trans46.253.7151.5-63-173.2172.2-159-1.9116.7
102C44.1Very low49.4Very low122 Ų122142.7 Ų142.782%0.82478%0.783SS**  trans-115102.1151.2-151.30000108.4G100G100-C102 PolarHBondContact O-N 3.03Å
103S40.2Very low48.8Very low100 Ų100141.2 Ų141.270%0.69978%0.782SS**PPolyproline II helixtrans-61.5141.617150.50000109.5
104P57.5Low48Very low111 Ų111141.6 Ų141.672%0.72178%0.779SS**PPolyproline II helixtrans-51.6141.2167.4-24.133.8000110.1R106P104-R106 PolarHBondContact O-N 3Å
105P51.3Low47.2Very low114 Ų114137.3 Ų137.374%0.7478%0.781SS**PPolyproline II helixtrans-56.1129174.224.8-33.2000108.3C107P105-C107 VanDerWaalsContact C-N 3.3Å; P105-C107 PolarHBondContact O-N 2.93Å
106R50.9Low46.4Very low224 Ų224137 Ų13785%0.84578%0.777SS**  trans-69.386.8-171.7-169.7177.3-176.2126.4-4.7109.8P104 W108P104-R106 PolarHBondContact O-N 3Å; R106-W108 PolarHBondContact O-N 2.88Å
107C50.8Low45.3Very low111 Ų111139.8 Ų139.875%0.7578%0.78SS**  trans-49.6136.6175-61.60000109.4P105 T109P105-C107 VanDerWaalsContact C-N 3.3Å; P105-C107 PolarHBondContact O-N 2.93Å; C107-T109 PolarHBondContact O-N 3.14Å
108W43.2Very low44.6Very low253 Ų253140.8 Ų140.896%0.95878%0.784SS**  trans-55.6111.5-167.7-72.75.3000112.3R106R106-W108 PolarHBondContact O-N 2.88Å
109T43.1Very low44.4Very low105 Ų105141.6 Ų141.664%0.64478%0.781SS**  trans-68.6126.2151.8-35.60000106.5C107 S111C107-T109 PolarHBondContact O-N 3.14Å; T109-S111 PolarHBondContact O-N 2.84Å
110P41.1Very low43.9Very low111 Ų111143 Ų14372%0.72178%0.783SS**  trans-56.7126.9160.5-17.831.3000107.3E112P110-E112 PolarHBondContact O-N 3.23Å; P110-E112 VanDerWaalsContact O-N 3.13Å
111S41.8Very low43.9Very low116 Ų116148.5 Ų148.581%0.81179%0.791SS**  trans-66.7112.7174.450.20000108.7T109T109-S111 PolarHBondContact O-N 2.84Å
112E38.8Very low43.4Very low168 Ų168143.6 Ų143.679%0.78578%0.784SS**  trans-54.5145.4163.7-64-179.8157.700109P110 E114P110-E112 PolarHBondContact O-N 3.23Å; P110-E112 VanDerWaalsContact O-N 3.13Å; E112-E114 PolarHBondContact O-N 3.48Å
113P50.3Low43.7Very low116 Ų116142.8 Ų142.875%0.75378%0.777SS**  trans-65.7107.6175.227.3-32.8000109.1S115P113-S115 PolarHBondContact O-N 2.88Å
114E41Very low44.5Very low151 Ų151139.6 Ų139.671%0.70676%0.76SS**  trans-57.5110.9-174.5-69.6176127.100111.3E112 F116E112-E114 PolarHBondContact O-N 3.48Å; E114-F116 HydrophobicContact CB-CD2 3.88Å; E114-F116 HydrophobicContact CB-CE2 3.47Å; E114-F116 VanDerWaalsContact CB-CE2 3.47Å; E114-F116 HydrophobicContact CB-CZ 4.01Å; E114-F116 HydrophobicContact CG-CE2 4.42Å; E114-F116 VanDerWaalsContact O-CD2 3.25Å; E114-F116 WeakPolarHBondContact O-CD2 3.43Å; E114-F116 PolarHBondContact O-N 3.33Å
115S37.4Very low44.5Very low117 Ų117140.8 Ų140.882%0.81876%0.759SS**  trans-76.372.517745.80000110.6P113 H117P113-S115 PolarHBondContact O-N 2.88Å; S115-H117 PolarHBondContact O-N 2.95Å
116F37.5Very low44.6Very low170 Ų170138.8 Ų138.875%0.74675%0.748SS**  trans-58.893.9177-75.2-79000111.9E114E114-F116 HydrophobicContact CB-CD2 3.88Å; E114-F116 HydrophobicContact CB-CE2 3.47Å; E114-F116 VanDerWaalsContact CB-CE2 3.47Å; E114-F116 HydrophobicContact CB-CZ 4.01Å; E114-F116 HydrophobicContact CG-CE2 4.42Å; E114-F116 VanDerWaalsContact O-CD2 3.25Å; E114-F116 WeakPolarHBondContact O-CD2 3.43Å; E114-F116 PolarHBondContact O-N 3.33Å
117H37.9Very low44.9Very low169 Ų169131.4 Ų131.478%0.78273%0.728SS**  trans-141.855172.7-148.1-67.8000115.1S115S115-H117 PolarHBondContact O-N 2.95Å
118T35.5Very low45.3Very low135 Ų135130.9 Ų130.983%0.82872%0.717SS**SBendtrans-115.2130.3144.744.90000108.8L120T118-L120 PolarHBondContact O-N 3.12Å
119P42.8Very low46.2Very low124 Ų124121.7 Ų121.781%0.80569%0.687SS**  trans-84.1111.5-166.631.1-34.2000112.2
120L38.8Very low46.8Very low163 Ų163123.9 Ų123.985%0.85369%0.689SS**  trans-114.188.5164.4-17260.4000110.5T118T118-L120 PolarHBondContact O-N 3.12Å
121E46.3Very low47.8Very low179 Ų179128.5 Ų128.584%0.83669%0.692SS**  trans23.396.3155.4-158.5159.1-15100117.6P123E121-P123 VanDerWaalsContact O-CD 3.28Å; E121-P123 WeakPolarHBondContact O-CD 3.48Å
122N40.8Very low48.4Very low157 Ų157127.2 Ų127.284%0.8468%0.676SS**  trans-56.9118-179-83.2-66.3000113.8G124N122-G124 PolarHBondContact O-N 3.02Å
123P51Low49Very low104 Ų104123.5 Ų123.568%0.67566%0.664SS**  trans-71.995.2160.130.3-31.6000108.6E121E121-P123 VanDerWaalsContact O-CD 3.28Å; E121-P123 WeakPolarHBondContact O-CD 3.48Å
124G56Low48.7Very low34 Ų34120.8 Ų120.835%0.35166%0.658SS.*  trans-54.3157.6-170.700000115.2N122 S126 T127N122-G124 PolarHBondContact O-N 3.02Å; G124-S126 PolarHBondContact O-N 3.31Å; G124-T127 WeakPolarHBondContact O-CB 3.48Å; G124-T127 WeakPolarHBondContact O-CG2 3.45Å; G124-T127 PolarHBondContact O-N 3.03Å; G124-T127 PolarHBondContact O-OG1 3.18Å
125I58.1Low49Very low135 Ų135119.4 Ų119.469%0.69267%0.665SS**THydrogen-bonded Turntrans-55.1-24.7-173.7-61.6166.8000113.1T127 L128 L129I125-T127 PolarHBondContact O-N 3.41Å; I125-L128 WeakPolarHBondContact O-CB 3.4Å; I125-L128 PolarHBondContact O-N 3.04Å; I125-L129 HydrophobicContact CG2-CD1 4.38Å; I125-L129 PolarHBondContact O-N 2.8Å; I125-L129 VanDerWaalsContact O-N 3.16Å
126S54.1Low49.2Very low72 Ų72125.1 Ų125.150%0.50367%0.668SS.*Hα-helixtrans-52.9-36.5169.350.10000113.7G124 L128 L129 H130G124-S126 PolarHBondContact O-N 3.31Å; S126-L128 VanDerWaalsContact C-N 3.28Å; S126-L128 PolarHBondContact O-N 2.74Å; S126-L129 PolarHBondContact O-N 3.26Å; S126-H130 WeakPolarHBondContact O-CB 3.3Å; S126-H130 PolarHBondContact O-CD2 2.97Å; S126-H130 VanDerWaalsContact O-CD2 3.3Å; S126-H130 PolarHBondContact O-N 3.09Å
127T57.8Low49.8Very low70 Ų70128.8 Ų128.843%0.42968%0.677SS.*Hα-helixtrans-66.1-29.417765.20000112.7G124 I125 R131G124-T127 WeakPolarHBondContact O-CB 3.48Å; G124-T127 WeakPolarHBondContact O-CG2 3.45Å; G124-T127 PolarHBondContact O-N 3.03Å; G124-T127 PolarHBondContact O-OG1 3.18Å; I125-T127 PolarHBondContact O-N 3.41Å; T127-R131 WeakPolarHBondContact O-CG 3.23Å
128L59.2Low50.1Low99 Ų99126.8 Ų126.852%0.51868%0.68SS.*Hα-helixtrans-77.2-42.8176.3-153.879.1000111I125 S126 R131 L132I125-L128 WeakPolarHBondContact O-CB 3.4Å; I125-L128 PolarHBondContact O-N 3.04Å; S126-L128 VanDerWaalsContact C-N 3.28Å; S126-L128 PolarHBondContact O-N 2.74Å; L128-R131 WeakPolarHBondContact O-CB 3.35Å; L128-R131 PolarHBondContact O-N 3.22Å; L128-R131 VanDerWaalsContact O-N 3.12Å; L128-L132 PolarHBondContact O-N 3.37Å
129L61Low50.3Low61 Ų61132.1 Ų132.132%0.31969%0.685SS.*Hα-helixtrans-65.5-40.2178-66.9171.2000112I125 S126 R131 L132 T133 G363I125-L129 HydrophobicContact CG2-CD1 4.38Å; I125-L129 PolarHBondContact O-N 2.8Å; I125-L129 VanDerWaalsContact O-N 3.16Å; S126-L129 PolarHBondContact O-N 3.26Å; L129-R131 PolarHBondContact O-N 3.13Å; L129-L132 PolarHBondContact O-N 2.71Å; L129-L132 VanDerWaalsContact O-N 3.09Å; L129-T133 PolarHBondContact O-N 2.76Å; L129-T133 PolarHBondContact O-OG1 3.45Å; L129-G363 WeakPolarHBondContact CD2-O 3.25Å
130H55.5Low50.1Low150 Ų150130.2 Ų130.269%0.69469%0.687SS**Hα-helixtrans-60.7-25.6172.1-88.3-62.5000113.6S126S126-H130 WeakPolarHBondContact O-CB 3.3Å; S126-H130 PolarHBondContact O-CD2 2.97Å; S126-H130 VanDerWaalsContact O-CD2 3.3Å; S126-H130 PolarHBondContact O-N 3.09Å
131R63.5Low50.1Low208 Ų208126.4 Ų126.479%0.78569%0.688SS**Hα-helixtrans-82.8-20.8175.4-73.4175.161.8-166.3-2.7113.6T127 L128 L129T127-R131 WeakPolarHBondContact O-CG 3.23Å; L128-R131 WeakPolarHBondContact O-CB 3.35Å; L128-R131 PolarHBondContact O-N 3.22Å; L128-R131 VanDerWaalsContact O-N 3.12Å; L129-R131 PolarHBondContact O-N 3.13Å
132L52.9Low50Low90 Ų90130 Ų13047%0.47169%0.694SS.*Hα-helixtrans-93.4-12.8-179.8-73.1166.3000113.8L128 L129L128-L132 PolarHBondContact O-N 3.37Å; L129-L132 PolarHBondContact O-N 2.71Å; L129-L132 VanDerWaalsContact O-N 3.09Å
133T52.9Low49.8Very low89 Ų89126.5 Ų126.555%0.54669%0.694SS.*SBendtrans-120.240.4-172.953.50000113.1L129L129-T133 PolarHBondContact O-N 2.76Å; L129-T133 PolarHBondContact O-OG1 3.45Å
134G42.2Very low49.3Very low60 Ų60125.6 Ų125.662%0.61970%0.703SS**  trans-132.210-161.400000119.9R136G134-R136 PolarHBondContact O-N 3.12Å
135S48.6Very low48.4Very low122 Ų122127.2 Ų127.285%0.85372%0.72SS**  trans-95.239.2-17359.70000116.2
136R42.1Very low47.5Very low236 Ų236129.5 Ų129.589%0.89173%0.733SS**  trans-135.8116.1165.6-65.7-172.7-171.2-102.2-0.5111.3G134G134-R136 PolarHBondContact O-N 3.12Å
137R48.7Very low46.7Very low247 Ų247129.6 Ų129.693%0.93275%0.745SS**  trans-82144.9159.9-65.7178.8176.8166.8-1.8108
138P43.8Very low46Very low128 Ų128138.7 Ų138.783%0.83177%0.772SS**  -137.4-169.991.539.1-26.5000114
139R41.5Very low45.1Very low247 Ų247138 Ų13893%0.93279%0.788SS**  trans-62.7132.6-174.7-64.1168168.3140.6-7.5113.5
140G37.7Very low44.1Very low83 Ų83139.2 Ų139.286%0.85682%0.815SS**  trans61.1140.5131.900000120.7
141G38.6Very low43.4Very low84 Ų84136 Ų13687%0.86682%0.822SS**  trans172.5141.8170.300000112.5
142R43.8Very low42.3Very low255 Ų255129 Ų12996%0.96281%0.809SS**  trans-92.2137.8176.7-70.8175.9166.9-154.5-1.6111.5
143G38Very low41.8Very low83 Ų83126.6 Ų126.686%0.85681%0.806SS**  trans88.5155.6133.700000119.9
144G40.2Very low41Very low84 Ų84125.2 Ų125.287%0.86681%0.81SS**  trans112.991.2150.600000119.4
145G37.1Very low40.8Very low68 Ų68125.2 Ų125.270%0.70181%0.81SS**  81.7115.4116.100000123.3
146L38.2Very low40.4Very low184 Ų184126 Ų12696%0.96381%0.809SS**  trans54.5113.9131.1-62.3125.4000122.9
147G38.5Very low40.2Very low73 Ų73123.6 Ų123.675%0.75381%0.81SS**  115.9132.2111.800000122.3
148R42.8Very low39.4Very low262 Ų262115 Ų11599%0.98980%0.798SS**  trans64.3154160.6-53.7177.2-178.7-1132.9117.8
149G38.6Very low39Very low83 Ų83112.5 Ų112.586%0.85678%0.784SS**  cis152121.2-21.700000117.4
150G41Very low38.7Very low87 Ų87107.6 Ų107.690%0.89777%0.771SS**  trans108.4138.8148.100000123
151G41.3Very low38.7Very low82 Ų82106.4 Ų106.485%0.84575%0.749SS**  trans81.4174.2154.500000120.6
152A40.5Very low38.7Very low61 Ų61107.7 Ų107.750%0.50474%0.737SS.*  cis178.8153.4-28.900000113.8V1048 L1049A152-V1048 WeakPolarHBondContact O-CG2 3.32Å; A152-L1049 HydrophobicContact CB-CD1 3.77Å; A152-L1049 HydrophobicContact CB-CD2 4.36Å; A152-L1049 HydrophobicContact CB-CG 3.92Å
153G41Very low38.5Very low40 Ų40101.4 Ų101.441%0.41272%0.716SS.*  trans66.7130.4155.200000123.9G1047 V1048G153-G1047 VanDerWaalsContact O-CA 3.3Å; G153-G1047 WeakPolarHBondContact O-CA 3.4Å; G153-V1048 CarbonylContact C-O 3.08Å; G153-V1048 WeakPolarHBondContact CA-O 3.33Å; G153-V1048 VanDerWaalsContact N-C 3.29Å; G153-V1048 PolarHBondContact N-O 3.41Å; G153-V1048 VanDerWaalsContact N-O 3.12Å
154G36.9Very low38.7Very low60 Ų60100.4 Ų100.462%0.61970%0.696SS**  cis167.998-21.300000121.1G1047 V1048G154-G1047 CarbonylContact C-O 3.33Å; G154-G1047 VanDerWaalsContact CA-O 3.26Å; G154-G1047 WeakPolarHBondContact CA-O 3.41Å; G154-G1047 VanDerWaalsContact N-C 3.25Å; G154-G1047 PolarHBondContact N-O 2.89Å; G154-V1048 WeakPolarHBondContact CA-O 3.43Å; G154-V1048 PolarHBondContact N-O 2.85Å
155G36.8Very low39.2Very low60 Ų60101.8 Ų101.862%0.61969%0.688SS**  trans104.2155143.400000124G1047G155-G1047 PolarHBondContact N-O 2.99Å
156V40.9Very low39.5Very low140 Ų140106.2 Ų106.285%0.84869%0.688SS**  trans87.9127.8139.9176.70000124.2
157M38.3Very low40.3Very low185 Ų185101 Ų10191%0.91167%0.667SS**  trans71.5140.1153.8-139.569.379.200124.6
158G32.7Very low40.9Very low65 Ų65102.5 Ų102.567%0.6766%0.658SS**  trans170.8135.8163.100000114.1
159S34.8Very low41.9Very low77 Ų7796.4 Ų96.454%0.53864%0.639SS.*  trans-110.8165.6-168.3-161.60000116.1
160E35.1Very low43.3Very low143 Ų14398.7 Ų98.767%0.66863%0.625SS**  trans51.7122.3158.8-72.8144.8-100.500121.6A333E160-A333 WeakPolarHBondContact CG-O 3.37Å
161C38.5Very low44.3Very low58 Ų58101.5 Ų101.539%0.39262%0.615SS.*  trans174.6159.7148.761.20000115.6K163 S331 S332C161-K163 PolarHBondContact O-N 3.27Å; C161-K163 PolarHBondContact O-NZ 3.1Å; C161-S331 WeakPolarHBondContact CA-OG 3.3Å; C161-S332 CarbonylContact C-O 3.58Å; C161-S332 PolarHBondContact N-O 3.33Å; C161-S332 VanDerWaalsContact N-O 3.12Å; C161-S332 VanDerWaalsContact O-CB 3.23Å; C161-S332 WeakPolarHBondContact O-CB 3.31Å; C161-S332 PolarHBondContact O-OG 3.16Å
162N37.6Very low45Very low112 Ų112101.2 Ų101.260%0.59960%0.6SS**SBend98.4-16.51215.7104.8000118.8S330 S331N162-S330 VanDerWaalsContact C-C 3.5Å; N162-S330 CarbonylContact C-O 3.51Å; N162-S330 VanDerWaalsContact CA-O 3.27Å; N162-S330 WeakPolarHBondContact CA-O 3.48Å; N162-S330 WeakPolarHBondContact CB-O 3.28Å; N162-S330 PolarHBondContact N-O 3.41Å; N162-S330 PolarHBondContact ND2-O 3.12Å; N162-S330 VanDerWaalsContact O-CB 3.25Å; N162-S330 WeakPolarHBondContact O-CB 3.48Å; N162-S330 PolarHBondContact O-OG 3.36Å; N162-S331 PolarHBondContact N-OG 3.37Å
163K39.1Very low45.7Very low122 Ų122103.9 Ų103.953%0.5361%0.605SS.*  trans-136.8121.7-166.7-19.4176-125.3-41.40111.1C161 S330 S331 S332C161-K163 PolarHBondContact O-N 3.27Å; C161-K163 PolarHBondContact O-NZ 3.1Å; K163-S330 PolarHBondContact N-O 3.42Å; K163-S331 VanDerWaalsContact N-CA 3.28Å; K163-S331 CarbonylContact O-C 2.9Å; K163-S331 WeakPolarHBondContact O-CA 3.4Å; K163-S331 PolarHBondContact O-N 3.16Å; K163-S332 WeakPolarHBondContact CE-OG 3.34Å; K163-S332 WeakPolarHBondContact CG-OG 3.37Å; K163-S332 PolarHBondContact NZ-OG 2.69Å; K163-S332 VanDerWaalsContact NZ-OG 3.12Å; K163-S332 WeakPolarHBondContact O-CA 3.36Å; K163-S332 WeakPolarHBondContact O-CB 3.3Å; K163-S332 PolarHBondContact O-N 3.28Å; K163-S332 VanDerWaalsContact O-N 3.07Å
164S41.8Very low46.3Very low63 Ų63105.4 Ų105.444%0.44162%0.62SS.*  trans-138.4139.1164.465.50000108.7S330S164-S330 WeakPolarHBondContact OG-CA 3.48Å
165T50.7Low46.9Very low113 Ų113110.5 Ų110.569%0.69363%0.626SS**  trans-86.9155.1-163.3-48.40000111.3S167T165-S167 PolarHBondContact O-N 3.05Å
166F44.1Very low47.4Very low160 Ų160117.9 Ų117.970%0.70264%0.64SS**THydrogen-bonded Turntrans-49.4-16.2-174.4-173-114.7000116.6F170F166-F170 HydrophobicContact CD1-CE2 4.39Å; F166-F170 HydrophobicContact CE1-CD2 4.5Å; F166-F170 AromaticContact CE1-CE2 3.74Å; F166-F170 HydrophobicContact CE1-CE2 3.74Å; F166-F170 HydrophobicContact CE2-CE2 4.47Å; F166-F170 AromaticContact CZ-CE2 3.79Å; F166-F170 HydrophobicContact CZ-CE2 3.79Å; F166-F170 HydrophobicContact CZ-CZ 4.47Å
167S54.8Low47.3Very low74 Ų74121.3 Ų121.352%0.51764%0.638SS.*THydrogen-bonded Turntrans-62-45.3-176.3-42.40000114.7T165 F169 F170T165-S167 PolarHBondContact O-N 3.05Å; S167-F169 PolarHBondContact O-N 3.43Å; S167-F170 PolarHBondContact O-N 2.68Å; S167-F170 VanDerWaalsContact O-N 3.09Å
168D51.3Low47.2Very low105 Ų105121.3 Ų121.356%0.56163%0.633SS**Hα-helixtrans-59.1-24.6-174.2-73.7-42.4000113.4F170 S172D168-F170 VanDerWaalsContact C-N 3.34Å; D168-F170 PolarHBondContact O-N 2.72Å; D168-S172 PolarHBondContact O-OG 2.93Å
169F64.8Low47.5Very low134 Ų134124.2 Ų124.259%0.58863%0.632SS**Hα-helixtrans-68.1-31.8-179.5-167.9-99.9000112.5S167 S172 I173S167-F169 PolarHBondContact O-N 3.43Å; F169-S172 PolarHBondContact O-OG 3.15Å; F169-I173 HydrophobicContact CD1-CD1 4.04Å; F169-I173 HydrophobicContact CE1-CD1 3.74Å; F169-I173 HydrophobicContact CZ-CD1 4.11Å; F169-I173 WeakPolarHBondContact O-CD1 3.37Å; F169-I173 VanDerWaalsContact O-CG1 3.3Å; F169-I173 WeakPolarHBondContact O-CG1 3.49Å
170F66.3Low47.1Very low132 Ų132128.6 Ų128.658%0.57965%0.65SS**Hα-helixtrans-89.4-33.5-179-75-81.7000113.2F166 S167 D168 S172 I173F166-F170 HydrophobicContact CD1-CE2 4.39Å; F166-F170 HydrophobicContact CE1-CD2 4.5Å; F166-F170 AromaticContact CE1-CE2 3.74Å; F166-F170 HydrophobicContact CE1-CE2 3.74Å; F166-F170 HydrophobicContact CE2-CE2 4.47Å; F166-F170 AromaticContact CZ-CE2 3.79Å; F166-F170 HydrophobicContact CZ-CE2 3.79Å; F166-F170 HydrophobicContact CZ-CZ 4.47Å; S167-F170 PolarHBondContact O-N 2.68Å; S167-F170 VanDerWaalsContact O-N 3.09Å; D168-F170 VanDerWaalsContact C-N 3.34Å; D168-F170 PolarHBondContact O-N 2.72Å; F170-S172 VanDerWaalsContact C-N 3.25Å; F170-S172 PolarHBondContact O-N 3.38Å; F170-I173 PolarHBondContact O-N 3.39Å
171E62.3Low47Very low145 Ų145128.7 Ų128.768%0.67865%0.654SS**Hα-helixtrans-73.6-17.6-179-61.2-154.9104.400113.9
172S56.1Low46.7Very low77 Ų77133.6 Ų133.654%0.53868%0.676SS.*SBendtrans-87.2-22.9177.253.20000114.1D168 F169 F170 G174D168-S172 PolarHBondContact O-OG 2.93Å; F169-S172 PolarHBondContact O-OG 3.15Å; F170-S172 VanDerWaalsContact C-N 3.25Å; F170-S172 PolarHBondContact O-N 3.38Å; S172-G174 PolarHBondContact O-N 3.5Å; S172-G174 VanDerWaalsContact O-N 3.08Å
173I55.3Low46.3Very low117 Ų117134.3 Ų134.360%0.669%0.69SS**SBendtrans-84.385.8-177.3-59.1170.4000110.7F169 F170F169-I173 HydrophobicContact CD1-CD1 4.04Å; F169-I173 HydrophobicContact CE1-CD1 3.74Å; F169-I173 HydrophobicContact CZ-CD1 4.11Å; F169-I173 WeakPolarHBondContact O-CD1 3.37Å; F169-I173 VanDerWaalsContact O-CG1 3.3Å; F169-I173 WeakPolarHBondContact O-CG1 3.49Å; F170-I173 PolarHBondContact O-N 3.39Å
174G53.2Low45.8Very low71 Ų71136.2 Ų136.273%0.73270%0.7SS**SBendtrans152.6-26.1163.700000115.9S172 K176S172-G174 PolarHBondContact O-N 3.5Å; S172-G174 VanDerWaalsContact O-N 3.08Å; G174-K176 PolarHBondContact O-N 3.15Å
175K51.1Low45.5Very low168 Ų168141.3 Ų141.373%0.7372%0.717SS**  trans-90.293.2-174.5-68.3173.2-177.3166.90111.6R177K175-R177 PolarHBondContact O-N 3.05Å
176K46Very low44.8Very low214 Ų214139 Ų13993%0.9372%0.715SS**  trans-66.491.5172.2-78.1-159.7174.6-171.30111.6G174 K178G174-K176 PolarHBondContact O-N 3.15Å; K176-K178 PolarHBondContact O-N 3.12Å
177R39.7Very low44.9Very low212 Ų212139 Ų13980%0.872%0.722SS**  trans-62.4121.3163.3-78.8-179.8-84.4170-7.7109.7K175K175-R177 PolarHBondContact O-N 3.05Å
178K35.3Very low44.2Very low186 Ų186142.2 Ų142.281%0.80974%0.741SS**  trans-93.1110.8144.6-100.6-166.9172.3-171.40106.9K176K176-K178 PolarHBondContact O-N 3.12Å
179L39Very low43.4Very low125 Ų125148.1 Ų148.165%0.65476%0.755SS**  trans-74.1150160.1-66.9169.4000108.3
180N26.4Very low42.2Very low170 Ų170151.6 Ų151.691%0.90977%0.77SS**  trans-143.3119.8136.5-109.5-9.7000108.9
181L34.2Very low40.6Very low144 Ų144155.7 Ų155.775%0.75478%0.782SS**  trans-79.1171.4166.8-83.4153.9000109.6
182L31.8Very low39.2Very low162 Ų162159.2 Ų159.285%0.84879%0.789SS**  trans62.4100.7160.2-98.862.4000117.1
183S28.5Very low38.4Very low127 Ų127164.4 Ų164.489%0.88880%0.802SS**  -142.4115.7112.7-171.10000110.1
184Q29.1Very low37.3Very low162 Ų162161.9 Ų161.976%0.75780%0.804SS**  trans-130.3157.7165.7-156.6-166.429.800107.6
185H35.1Very low36.4Very low169 Ų169165.9 Ų165.978%0.78281%0.814SS**  trans67.390.8176.5-80.4-73.2000117.2
186G36.8Very low35.6Very low64 Ų64160.9 Ų160.966%0.6681%0.81SS**  trans-104.3171.4147.500000112
187L46.2Very low35Very low162 Ų162154 Ų15485%0.84880%0.801SS**  trans60125.8158.5-53-179.9000119.8R189L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 2.89Å
188P39.8Very low34.7Very low140 Ų140146.1 Ų146.191%0.90979%0.785SS**SBendtrans-77.874.7161.233.9-34.2000111.3
189R33.9Very low34.8Very low230 Ų230143.2 Ų143.287%0.86878%0.782SS**  trans-14692.1163.4-144.5168.4-175.8164.40.7114.6L187L187-R189 VanDerWaalsContact C-N 3.31Å; L187-R189 PolarHBondContact O-N 2.89Å
190K39.9Very low34.7Very low207 Ų207139.2 Ų139.290%0.977%0.771SS**  trans66.3148.3178.9-68.2-173.8174.2-177.60116.2
191R32.5Very low35.3Very low218 Ų218142.6 Ų142.682%0.82377%0.771SS**  cis163113.8-42.9166-178.5132.4160.7-2.9108.6
192R33.1Very low35.3Very low219 Ų219139.8 Ų139.883%0.82678%0.778SS**  trans63.2171.2163.5-76.8-172.2169.4-148.82.1117.2
193K38.7Very low35.4Very low186 Ų186136 Ų13681%0.80978%0.777SS**  cis174.1132.8-34.9175177.1175.81760108.3
194G32.8Very low35.5Very low63 Ų63133.3 Ų133.365%0.64977%0.77SS**  trans140.4140.417400000109.9
195V34.9Very low35.8Very low156 Ų156134 Ų13495%0.94578%0.775SS**  cis74117.728-172.60000113.9
196G33Very low35.8Very low63 Ų63132.4 Ų132.465%0.64978%0.777SS**  trans129.7128.917400000112.5
197G33.7Very low35.8Very low70 Ų70132.3 Ų132.372%0.72278%0.776SS**  trans-109.1-168.3179.100000113.5
198G34.4Very low35.4Very low46 Ų46131.1 Ų131.147%0.47478%0.776SS.*  trans118.7119.5159.900000117.4
199V37.7Very low35.3Very low124 Ų124132.9 Ų132.975%0.75277%0.772SS**  trans51135.3130.3-174.90000120.2S574V199-S574 PolarHBondContact O-OG 3.37Å
200G35.4Very low35.8Very low41 Ų41127.8 Ų127.842%0.42377%0.768SS.*  132.492.7121.500000122.5
201R39.9Very low35.4Very low241 Ų241121.5 Ų121.591%0.90976%0.763SS**  trans52.1129.9135.7-60.8-178.4178.3-124.51.3122.8
202G34.4Very low35.5Very low86 Ų86114.9 Ų114.989%0.88776%0.762SS**  trans93.6156144.800000116.9
203G33.2Very low35.7Very low81 Ų81111.2 Ų111.284%0.83575%0.754SS**  cis167.7145.8-1000000114.2
204G31.8Very low35.9Very low71 Ų71109.9 Ų109.973%0.73275%0.748SS**  trans79.8176.9171.600000116.8
205M34.3Very low36.1Very low176 Ų176115 Ų11587%0.86776%0.759SS**  cis-176.3143.6-28.3-116.916175.400110.2
206V34.8Very low36.2Very low136 Ų136113 Ų11382%0.82475%0.747SS**  trans65.2150.6165.4-179.90000116.2
207G38.1Very low36.5Very low63 Ų63121.5 Ų121.565%0.64976%0.76SS**  trans-137170.916900000111.3
208T36.5Very low37Very low137 Ų137126.8 Ų126.884%0.8476%0.758SS**  trans-154.3136.7179.1110000112.1
209E37.3Very low37.1Very low177 Ų177135.9 Ų135.983%0.82778%0.778SS**  trans-63.8151.8156.9-72-73.3154.500110.2
210P46Very low37.2Very low122 Ų122139.8 Ų139.879%0.79278%0.779SS**  -141.2138.9117.635.8-23.3000114.6
211G31.5Very low37.2Very low76 Ų76145 Ų14578%0.78479%0.794SS**  trans-75.3158.2170.100000113.8
212G34.9Very low37.2Very low78 Ų78145 Ų14580%0.80479%0.794SS**  trans-160.250.6-168.200000117.3
213E35.8Very low38.1Very low143 Ų143149 Ų14967%0.66879%0.787SS**  trans23.2105.3147.1-65.9-112.492.900121.2
214K44.1Very low38.6Very low157 Ų157152.4 Ų152.468%0.68379%0.786SS**  trans36.4112.1135.152.4154.3-169.8-94.70121.6
215I35.4Very low38.7Very low170 Ų170152.5 Ų152.587%0.87279%0.787SS**  trans-131148.2151.1-82.599.2000112.5
216V37.6Very low38.8Very low116 Ų116148.7 Ų148.770%0.70378%0.784SS**  trans-124.6137.1-171.1169.60000112.2
217R40.4Very low38.9Very low240 Ų240151.5 Ų151.591%0.90679%0.785SS**  trans-163.5137.5142.3-118.4163.6176.481.9-4.3117.8
218R42.6Very low38.9Very low182 Ų182158 Ų15869%0.68780%0.795SS**  trans-88.4151.4168.5-71.8157.252.7-157.11.9112.5
219R37.7Very low38.7Very low237 Ų237155.2 Ų155.289%0.89479%0.794SS**  trans-140.7118.1135.2-62.2-171.6-171.7-174.34.1106.7
220R40Very low38.5Very low206 Ų206150.3 Ų150.378%0.77779%0.791SS**  67.1142.372.5-70.5-166.1-162.3-167.47.1113.2
221M34Very low37.7Very low149 Ų149151.5 Ų151.573%0.73480%0.796SS**  cis164.4141.9-23.9-110.7167.1164.400108.7
222R41.7Very low37.9Very low243 Ų243154.2 Ų154.292%0.91780%0.797SS**  trans156.3155.8156.9-90157.6-177.2-141.9-0.1111.1
223K52.1Low39Very low168 Ų168155.7 Ų155.773%0.7379%0.792SS**  cis-169.6129.1-17.2179.4-179.3176.5-171.50113.6
224N43.1Very low38.9Very low153 Ų153156.2 Ų156.282%0.81880%0.797SS**  trans65.6149.2150.1-64.416.8000126
225G34.9Very low38.4Very low73 Ų73151.8 Ų151.875%0.75380%0.796SS**  trans134103.3155.900000113.7
226A35.7Very low38Very low96 Ų96150.6 Ų150.679%0.79379%0.786SS**  cis96.2136.436.400000113.4
227F38.4Very low37.6Very low196 Ų196151 Ų15186%0.8679%0.785SS**  cis-165.9176.6-10.4-135.3-87.8000112
228K37Very low37.3Very low198 Ų198150.6 Ų150.686%0.86178%0.783SS**  trans71.9144.3173.2-65.3-172.1173.7-173.80117.2
229G31.7Very low37.7Very low79 Ų79146.9 Ų146.981%0.81478%0.783SS**  cis110134.9-3.300000114
230G33.7Very low37.6Very low74 Ų74143.3 Ų143.376%0.76378%0.782SS**  cis-175.3-135.45.500000112.6
231V28.9Very low37.2Very low147 Ų147136.8 Ų136.889%0.89178%0.778SS**  trans90.1134.5172-171.30000118.7
232V35.9Very low37.1Very low133 Ų133136.7 Ų136.781%0.80679%0.786SS**  trans-160.9-174.4173.1-62.90000107.3
233P59Low36.7Very low109 Ų109128.7 Ų128.771%0.70878%0.78SS**  cis-137.8-157.6-6.438.2-15000114.7
234M32Very low35.5Very low154 Ų154124.2 Ų124.276%0.75978%0.781SS**  trans97152.9143-136.261.7178.800122.3Q236M234-Q236 HydrophobicContact CE-CG 4.09Å
235G33.7Very low35.1Very low64 Ų64128.7 Ų128.766%0.6679%0.786SS**  trans117.4100.3175.500000112.5
236Q28.8Very low34.9Very low145 Ų145132.4 Ų132.468%0.67879%0.789SS**  cis70137.638.6-55.7-153.6-9400115.2M234M234-Q236 HydrophobicContact CE-CG 4.09Å
237D29Very low34.9Very low125 Ų125135.6 Ų135.667%0.66879%0.787SS**  cis-164.2175.7-22.6-110.1-41.4000111.5
238W33.6Very low34.6Very low231 Ų231134.1 Ų134.188%0.87578%0.783SS**  trans-51.7167.4166-74.398.2000114.2
239P51.4Low34.3Very low104 Ų104127.8 Ų127.868%0.67577%0.774SS**  -166179.656.446.4-22.7000123.3
240N34.4Very low34.2Very low163 Ų163128.3 Ų128.387%0.87277%0.771SS**  trans93.8145.4135.1-86.5-6.9000124.8
241G31.3Very low34.1Very low68 Ų68132.5 Ų132.570%0.70178%0.775SS**  trans113.3114.6177.800000112
242T32.9Very low34.3Very low147 Ų147131.1 Ų131.190%0.90276%0.763SS**  cis-152.6166.10.7-51.70000109.2
243G32.6Very low34.3Very low76 Ų76131.6 Ų131.678%0.78475%0.754SS**  trans-75.2-169.7-177.200000116.4
244G27.9Very low33.1Very low73 Ų73131.1 Ų131.175%0.75375%0.745SS**  cis-152.6-151.913.600000115.6
245W33.6Very low33.3Very low247 Ų247134.2 Ų134.294%0.93675%0.748SS**  trans-119.3157.5-157.6-61.869.5000114.7
246D30.5Very low33Very low151 Ų151135.1 Ų135.181%0.80775%0.75SS**  trans-168.5133.6134.4-97.5-6.8000106.9
247E36.6Very low33.2Very low163 Ų163136.3 Ų136.376%0.76276%0.76SS**  66.8138.375.7-83.1-129.2173.100114.8
248E33.1Very low33Very low165 Ų165134.1 Ų134.177%0.77177%0.767SS**  cis-161.7150.5-18.5-177.863.2177.500109.9
249G30.1Very low32.7Very low66 Ų66126.2 Ų126.268%0.6876%0.757SS**  trans81.8166.816200000118
250A29Very low31.6Very low90 Ų90131.8 Ų131.874%0.74477%0.766SS**  cis-158.8165.6-11.400000110.7
251L32.8Very low31.5Very low162 Ų162132.5 Ų132.585%0.84877%0.765SS**  trans70.3114170-56175.6000115.2
252D31.9Very low31.5Very low118 Ų118135.5 Ų135.563%0.63176%0.764SS**  cis68.1140.226.1-138.930.5000111.3
253K36.5Very low31.3Very low143 Ų143134.4 Ų134.462%0.62276%0.761SS**  cis-159.6162.715.1-162.6166.8-148.869.90113.4
254D34.2Very low31.2Very low98 Ų98133.8 Ų133.852%0.52475%0.754SS.*  trans68.1165153.9-91.7-28.8000117.6
255R35.1Very low31.4Very low219 Ų219135.7 Ų135.783%0.82676%0.756SS**  cis-142.2157.3-2-134.6154.3-117.5-156.4-1.4107.9
256A28.5Very low32Very low83 Ų83128.6 Ų128.669%0.68674%0.742SS**  cis-145.2165.85.500000112.2
257L32Very low32.1Very low171 Ų171132.6 Ų132.690%0.89575%0.746SS**  trans-48.6158.1152.9-59.8162000111.2
258G26.1Very low31.8Very low78 Ų78128.3 Ų128.380%0.80475%0.746SS**  cis117.6103.915.500000110
259G27.1Very low31.7Very low66 Ų66123.7 Ų123.768%0.6874%0.742SS**  trans168.587-174.900000109.6
260Y27.8Very low31.7Very low220 Ų220130.5 Ų130.586%0.86375%0.754SS**  50.1120.193-75.4-93.5000112.6
261Q31.4Very low31.8Very low179 Ų179131.8 Ų131.884%0.83676%0.757SS**  -140.6140.380.5-146165.290.100115
262L32.4Very low31.7Very low130 Ų130128.8 Ų128.868%0.68175%0.75SS**  trans22.2120.6159.2-81.349.2000119.1
263C28.6Very low31.8Very low124 Ų124128 Ų12884%0.83875%0.752SS**  61120.563.2-164.50000113.2
264G29.6Very low31.5Very low63 Ų63128 Ų12865%0.64976%0.759SS**  cis-158.4167.35.300000112.6
265S31.8Very low31.5Very low113 Ų113129.8 Ų129.879%0.7977%0.773SS**  90.8147.475.3-175.30000112
266P46.9Very low31.4Very low99 Ų99122.8 Ų122.864%0.64377%0.769SS**  cis-129.2-166.4-729.2-6.3000114.1
267R33.1Very low31.9Very low234 Ų234131 Ų13188%0.88378%0.782SS**  trans77.3130.3162.3-64.5175.7-178.7-107-1.2116.7
268G29.4Very low32Very low74 Ų74126.5 Ų126.576%0.76378%0.777SS**  cis82122.6-2.100000115.1
269G31.1Very low32.3Very low68 Ų68126.6 Ų126.670%0.70178%0.778SS**  cis-177.5166.7-4.500000113.4
270F31.1Very low32.7Very low209 Ų209127.8 Ų127.892%0.91778%0.782SS**  trans38.5116.3157-58.2-69.8000123.2
271S31.4Very low32.8Very low117 Ų117127.4 Ų127.482%0.81878%0.78SS**  95.9116122.7-1510000123.3
272S30.3Very low32.8Very low99 Ų99124.3 Ų124.369%0.69278%0.779SS**  trans80.387.5130.4-172.70000124
273C34Very low32.8Very low102 Ų102121.6 Ų121.669%0.68978%0.782SS**  trans47.7132.5130.581.40000124.9
274N30.5Very low33.7Very low141 Ų141121.6 Ų121.675%0.75478%0.78SS**  177128.2118-93-72.2000108.8
275V33.6Very low33.9Very low137 Ų137123.8 Ų123.883%0.8379%0.792SS**  54.2114.484.9-177.40000114.3
276G33.5Very low33.7Very low72 Ų72122.3 Ų122.374%0.74280%0.795SS**  cis152.5176.6-5.500000114.1
277R39.3Very low32.8Very low255 Ų255123.2 Ų123.296%0.96280%0.804SS**  trans85.5121.6165.2-176.9-169.9-69.8-99.8-2.4120.6
278G32.8Very low32.8Very low76 Ų76121.8 Ų121.878%0.78480%0.804SS**  trans154100.4141.600000121.7
279G31.9Very low32.8Very low80 Ų80122 Ų12283%0.82581%0.806SS**  trans88110.7130.700000124.8
280A35.8Very low32.8Very low92 Ų92122.9 Ų122.976%0.7682%0.815SS**  trans57160.2144.900000120.6
281Y30.6Very low32.6Very low211 Ų211116.7 Ų116.783%0.82781%0.81SS**  cis-154.9155.327.1-118.4-78.9000113.8
282S31.9Very low32.9Very low115 Ų115118.5 Ų118.580%0.80481%0.81SS**  trans51.8150.7151.953.90000123.7
283G31.8Very low33Very low72 Ų72118.7 Ų118.774%0.74282%0.817SS**  trans-141-165.716300000110.9
284P47.8Very low32.9Very low125 Ų125116.7 Ų116.781%0.81281%0.814SS**  trans-135.1133.6149.936.3-22.5000112.2
285A32.7Very low33.1Very low109 Ų109118.5 Ų118.590%0.90182%0.818SS**  80124.286.800000115.4
286G27.9Very low33.3Very low81 Ų81119.6 Ų119.684%0.83582%0.819SS**  trans-168.9153.8177.300000109
287S28.9Very low33.8Very low119 Ų119121.8 Ų121.883%0.83282%0.823SS**  trans-146.1170.5-158.7-166.70000115.4
288K32.1Very low33.7Very low203 Ų203119.4 Ų119.488%0.88382%0.823SS**  trans71.3147.1179.6-62.8-175175.7-178.20116.1
289G29.4Very low34.4Very low79 Ų79119.4 Ų119.481%0.81482%0.823SS**  trans-117.4-162.8179.400000112.8
290G30.7Very low35.4Very low87 Ų87123.6 Ų123.690%0.89783%0.826SS**  trans102140.5-169.700000111
291G28Very low35.9Very low79 Ų79129.3 Ų129.381%0.81483%0.834SS**  trans127.3157.5-178.700000114
292L36.9Very low36.7Very low154 Ų154124.6 Ų124.681%0.80684%0.838SS**  trans-126.7162.9-179.3-79.9164000110
293A32.4Very low37.5Very low103 Ų103121.9 Ų121.985%0.85183%0.829SS**  trans84.9152160.900000118.6
294G31.6Very low38.2Very low60 Ų60125.7 Ų125.762%0.61982%0.822SS**  trans77.7141.9177.600000115.5
295E35.6Very low38.1Very low180 Ų180128.1 Ų128.184%0.84182%0.82SS**  cis-162.9-162.6-39.343.5-132.8136.200108.6
296D37.8Very low38.9Very low159 Ų159133.7 Ų133.785%0.8582%0.818SS**  trans58.574.2167.6-68.5-9.7000119.8
297S44.3Very low39.9Very low119 Ų119133.9 Ų133.983%0.83281%0.806SS**  trans-87.795.3155.360.20000112.4
298Q37.9Very low40.9Very low204 Ų204132.1 Ų132.195%0.95379%0.787SS**  trans-142.8141.2157.7-70.4-153.539.100112
299G46.7Very low41.9Very low76 Ų76130.4 Ų130.478%0.78479%0.787SS**  trans148.7-7.3173.700000118.5
300L52.9Low42.8Very low169 Ų169133.6 Ų133.689%0.88579%0.785SS**  trans-105.259.9-173.8-74174.2000114.3
301F45.1Very low43.5Very low211 Ų211133.9 Ų133.993%0.92577%0.774SS**  trans-134.233.2-179.1-140.7-95.8000116.5
302A48.2Very low44.5Very low112 Ų112137.7 Ų137.793%0.92678%0.775SS**SBendtrans-133.126.6-179.700000114.6
303G48.2Very low44.9Very low59 Ų59137.6 Ų137.661%0.60878%0.775SS**  trans-118.5-14.9-169.200000118
304Y46.6Very low45.3Very low151 Ų151137.4 Ų137.459%0.59277%0.768SS**G310 helixtrans-87.3-25-161.1-115.3-92.9000116.3R306Y304-R306 VanDerWaalsContact C-N 3.31Å; Y304-R306 PolarHBondContact O-N 3.5Å
305F45.8Very low45.8Very low176 Ų176138.1 Ų138.177%0.77276%0.764SS**G310 helixtrans-80.9-0.2-173.1-70.2-76.7000115.7L308F305-L308 HydrophobicContact CD1-CD1 4.22Å
306R50.3Low46.1Very low227 Ų227136 Ų13686%0.85776%0.758SS**G310 helixtrans-101.27179.2-69.8-172.262.4-125.2-11.6114.6Y304Y304-R306 VanDerWaalsContact C-N 3.31Å; Y304-R306 PolarHBondContact O-N 3.5Å
307S47.5Very low46.3Very low84 Ų84135.4 Ų135.459%0.58775%0.754SS**SBendtrans-119.318.7174.5-48.20000112.5
308L50Low46.3Very low82 Ų82135.6 Ų135.643%0.42975%0.745SS.*SBendtrans-113.610.4-179.7-67.3174.6000112.9F305 S686F305-L308 HydrophobicContact CD1-CD1 4.22Å; L308-S686 WeakPolarHBondContact CD2-OG 3.25Å
309L54.8Low46.3Very low167 Ų167132.7 Ų132.787%0.87474%0.736SS**SBendtrans-136.923.9-178.2-63.9174.4000111.3
310D47.5Very low45.7Very low146 Ų146137.1 Ų137.178%0.78174%0.74SS**SBendtrans-148.840.5-174.1-153.122.8000109.1
311S44.8Very low44.7Very low94 Ų94133.9 Ų133.966%0.65773%0.731SS**  trans-156.689.3-176.5-58.60000108.2
312D49.1Very low44Very low159 Ų159128.5 Ų128.585%0.8572%0.72SS**  trans-135.762.5-174.2-163.723.3000108.5
313D45.8Very low43.3Very low151 Ų151132.4 Ų132.481%0.80772%0.719SS**  trans-158.7154.1176.3-159.3-1.1000111.4
314S40.1Very low42.6Very low99 Ų99134.3 Ų134.369%0.69272%0.723SS**  trans58.8102.8174.859.80000118.1
315S43.2Very low42Very low76 Ų76134.1 Ų134.153%0.53173%0.732SS.*  trans-68.8151.4153.958.60000111.3
316D41.3Very low41.9Very low136 Ų136131 Ų13173%0.72773%0.73SS**  176.7177.6118.9-87.4-2.1000112.1
317L41.8Very low41Very low146 Ų146131.4 Ų131.476%0.76473%0.731SS**  trans74.2114.9171.4-50.5-177.1000118.5R684L317-R684 PolarHBondContact O-NH1 2.84Å
318L45.1Very low40.3Very low122 Ų122136.5 Ų136.564%0.63974%0.743SS**  trans-119.3154.7135.4-77.4178.2000107.2
319D38Very low39.4Very low144 Ų144137.3 Ų137.377%0.7776%0.755SS**  trans63.5155.6172.8-50.9-36.4000114.9
320I33.3Very low38.4Very low169 Ų169131 Ų13187%0.86773%0.725SS**  cis-125.5160.621.5-64.2160.5000111.3
321S31.5Very low37.8Very low100 Ų100127.3 Ų127.370%0.69971%0.711SS**  trans-103.8159.8179.7-174.70000114.3
322S31.5Very low37.2Very low98 Ų98124.6 Ų124.669%0.68569%0.692SS**  trans95.3148146.2-54.50000121.5
323Q33.4Very low36.3Very low194 Ų194119.4 Ų119.491%0.90767%0.671SS**  trans76.1128.7167.1-51.5-164.51.600116.4
324S33Very low35.6Very low100 Ų100121.4 Ų121.470%0.69967%0.669SS**  cis-152.3-170.4-1.9640000109.1
325D33.4Very low35Very low146 Ų146122 Ų12278%0.78167%0.665SS**  cis-149.4164.74.5-111.6-52.3000110.6
326P45Very low34.9Very low112 Ų112124.2 Ų124.273%0.72768%0.677SS**  trans-110.2167.8-165.842.4-37.9000117.5
327R31.7Very low34.2Very low234 Ų234122.4 Ų122.488%0.88368%0.675SS**  trans-150.297.8159.3-109.3-168.6-68.4-177.60.8114.6
328K31.5Very low33.7Very low192 Ų192122 Ų12284%0.83568%0.684SS**  trans64.6168.8146.6-62.6-176.6176.6-1740120.4
329S31.3Very low33Very low98 Ų98122 Ų12269%0.68569%0.694SS**  cis177.3168-33.8-82.50000111.3
330S34.8Very low32.6Very low34 Ų34120 Ų12024%0.23870%0.698CS.*  179.5130-59.148.50000115.3N162 K163 S164N162-S330 VanDerWaalsContact C-C 3.5Å; N162-S330 CarbonylContact C-O 3.51Å; N162-S330 VanDerWaalsContact CA-O 3.27Å; N162-S330 WeakPolarHBondContact CA-O 3.48Å; N162-S330 WeakPolarHBondContact CB-O 3.28Å; N162-S330 PolarHBondContact N-O 3.41Å; N162-S330 PolarHBondContact ND2-O 3.12Å; N162-S330 VanDerWaalsContact O-CB 3.25Å; N162-S330 WeakPolarHBondContact O-CB 3.48Å; N162-S330 PolarHBondContact O-OG 3.36Å; K163-S330 PolarHBondContact N-O 3.42Å; S164-S330 WeakPolarHBondContact OG-CA 3.48Å
331S33.7Very low32.3Very low69 Ų69116.2 Ų116.248%0.48369%0.692SS.*  trans-177.4142167.3-154.60000113.6C161 N162 K163C161-S331 WeakPolarHBondContact CA-OG 3.3Å; N162-S331 PolarHBondContact N-OG 3.37Å; K163-S331 VanDerWaalsContact N-CA 3.28Å; K163-S331 CarbonylContact O-C 2.9Å; K163-S331 WeakPolarHBondContact O-CA 3.4Å; K163-S331 PolarHBondContact O-N 3.16Å
332S32.3Very low32.2Very low38 Ų38115.3 Ų115.327%0.26669%0.685SS.*  cis108.2121.7-15161.30000124C161 K163C161-S332 CarbonylContact C-O 3.58Å; C161-S332 PolarHBondContact N-O 3.33Å; C161-S332 VanDerWaalsContact N-O 3.12Å; C161-S332 VanDerWaalsContact O-CB 3.23Å; C161-S332 WeakPolarHBondContact O-CB 3.31Å; C161-S332 PolarHBondContact O-OG 3.16Å; K163-S332 WeakPolarHBondContact CE-OG 3.34Å; K163-S332 WeakPolarHBondContact CG-OG 3.37Å; K163-S332 PolarHBondContact NZ-OG 2.69Å; K163-S332 VanDerWaalsContact NZ-OG 3.12Å; K163-S332 WeakPolarHBondContact O-CA 3.36Å; K163-S332 WeakPolarHBondContact O-CB 3.3Å; K163-S332 PolarHBondContact O-N 3.28Å; K163-S332 VanDerWaalsContact O-N 3.07Å
333A30.5Very low32.4Very low50 Ų50119.1 Ų119.141%0.41369%0.692SS.*  trans62.9152.8158.800000116.4E160E160-A333 WeakPolarHBondContact CG-O 3.37Å
334Y32Very low32.3Very low192 Ų192114.2 Ų114.275%0.75368%0.679SS**  cis-134.9-162.111.8-127.3-77.1000112.7
335D26.7Very low32.1Very low113 Ų113121 Ų12160%0.60469%0.69SS**  trans-74.8166-179.7-176.757.2000114.2S337D335-S337 PolarHBondContact OD2-N 3.38Å; D335-S337 VanDerWaalsContact OD2-N 3.15Å; D335-S337 PolarHBondContact OD2-OG 3.01Å
336P40.3Very low32.1Very low122 Ų122118.9 Ų118.979%0.79269%0.686SS**  trans-138.8126.6137.336.6-22.4000115
337S27.9Very low33.1Very low98 Ų98118.9 Ų118.969%0.68569%0.686SS**  trans-94.1148.6172.90.80000112.6D335D335-S337 PolarHBondContact OD2-N 3.38Å; D335-S337 VanDerWaalsContact OD2-N 3.15Å; D335-S337 PolarHBondContact OD2-OG 3.01Å
338S30.1Very low33.7Very low136 Ų136114 Ų11495%0.95169%0.685SS**  trans-169.5156.1158-87.30000113.1
339S30.1Very low34.3Very low122 Ų122114.2 Ų114.285%0.85369%0.686SS**  trans-130.9145.7-157.256.80000116.3
340A29.6Very low35.6Very low102 Ų102114.1 Ų114.184%0.84368%0.683SS**  trans-168.5166.3169.200000109.8
341A28.4Very low35.5Very low90 Ų90120.5 Ų120.574%0.74471%0.707SS**  cis178151.7-27.900000107.8
342S29.6Very low35.5Very low81 Ų81128.2 Ų128.257%0.56673%0.726SS**  cis-170.9168.6-16.844.70000110.1
343H35.8Very low35.7Very low179 Ų179130.6 Ų130.683%0.82974%0.742SS**  trans75.8156.7173.1-32.9-68.9000116
344S29.7Very low36.2Very low91 Ų91133.9 Ų133.964%0.63676%0.757SS**  cis-158.6150.71567.50000116.6
345W29Very low36.4Very low241 Ų241134.5 Ų134.591%0.91376%0.764SS**  trans77167.8160.1-59108.5000120.4
346S34.7Very low36.8Very low102 Ų102132.3 Ų132.371%0.71377%0.768SS**  trans-139.1-161.7-135.4-44.80000115.2
347P65.3Low36.8Very low112 Ų112130.9 Ų130.973%0.72777%0.767SS**  -119.8178.5-111.841.6-23.4000115.7
348P45.4Very low37.1Very low132 Ų132134 Ų13486%0.85778%0.776SS**  -145-179.597.737-19.2000116.9
349F42.9Very low37.4Very low196 Ų196132.6 Ų132.686%0.8677%0.772SS**  trans-87.8-175.2-170.8-90.7-65.5000115.4
350P59.7Low37.7Very low96 Ų96129.9 Ų129.962%0.62376%0.763SS**  cis-145.3173.6-24.434-13.2000117.9
351K31.4Very low38.3Very low169 Ų169131.5 Ų131.574%0.73576%0.762SS**  134.3120.5128.2-83.7172.1179.6175.20119.2
352W33.8Very low38.7Very low231 Ų231135.3 Ų135.388%0.87577%0.765SS**  trans71166.7143.5-87.7-137.5000118.8
353S36.9Very low38.8Very low88 Ų88133.4 Ų133.462%0.61576%0.758SS**  cis177.4166.1-30.961.90000111
354T41.2Very low38.7Very low118 Ų118128.7 Ų128.772%0.72475%0.745SS**  cis177.1155.9-29-720000108.8
355K35.8Very low38.9Very low206 Ų206127.4 Ų127.490%0.89674%0.74SS**  trans95.5134.3160.2-160.8-176.4-176-1750118.4
356G35.1Very low39.2Very low67 Ų67124 Ų12469%0.69174%0.735SS**  cis151.8146.5-19.800000117.9
357A40.3Very low39.1Very low92 Ų92122.9 Ų122.976%0.7673%0.731SS**  trans69.4156.5154.800000121
358N34.8Very low37.4Very low164 Ų164125.5 Ų125.588%0.87773%0.733SS**  cis-167.8171.5-18.4-101-12.2000113.1
359A37Very low36.5Very low105 Ų105124.5 Ų124.587%0.86873%0.728SS**  trans-23171.3169.800000122.5
360G35.1Very low35.8Very low66 Ų66120.6 Ų120.668%0.6873%0.725SS**  cis144155.2-4.800000114.4
361V41.9Very low34.3Very low135 Ų135122 Ų12282%0.81874%0.737SS**  trans60.7142.9154.81650000118.8
362E37.5Very low34.2Very low170 Ų170118.8 Ų118.879%0.79474%0.742SS**  cis-164.4179.1-8.7-111.7179.3-178.100109.5
363G31.9Very low34.2Very low41 Ų41119.6 Ų119.642%0.42375%0.745SS.*  trans141.6137.4154.200000119L129L129-G363 WeakPolarHBondContact CD2-O 3.25Å
364S33.3Very low34.8Very low81 Ų81120.1 Ų120.157%0.56675%0.747SS**  trans-168.4-178.1-178-141.40000110.8
365A34.2Very low34.4Very low64 Ų64120.8 Ų120.853%0.52975%0.753SS.*  cis-161.5167.85.200000113.9
366Q35.2Very low34.3Very low170 Ų170121.6 Ų121.679%0.79475%0.752SS**  trans72.4153.8133-156175.6-15.600123.6
367A32.1Very low33.9Very low77 Ų77124.1 Ų124.164%0.63676%0.759SS**  trans96.2108.1148.600000123.4
368H30.6Very low33.4Very low167 Ų167131 Ų13177%0.77377%0.767SS**  67.9118.1127.2-66.5-65.1000126.1
369C25.8Very low33.1Very low111 Ų111126.4 Ų126.475%0.7576%0.758SS**  86141125-67.10000125.1
370S28.3Very low32.5Very low115 Ų115126.7 Ų126.780%0.80475%0.754SS**  trans79.3102.2146.6-620000123.1
371S27.7Very low32.5Very low125 Ų125131.3 Ų131.387%0.87476%0.762SS**  49.3106.6127.7-176.50000121.6
372A30.1Very low32Very low102 Ų102128.3 Ų128.384%0.84375%0.751SS**  trans-147149.2145.500000110.6
373R33.2Very low31.7Very low247 Ų247128.7 Ų128.793%0.93275%0.753SS**  trans-97.8169.2177.8-107.3-165.9172.2-161.2-1.2111.8
374P50Low31.8Very low100 Ų100133.6 Ų133.665%0.64978%0.775SS**  trans-96.6176.7-15639.6-40000114.7
375P32.5Very low31.5Very low132 Ų132135.1 Ų135.186%0.85779%0.785SS**  trans-114.1138.1142.735.2-26.5000112.1
376Y33.5Very low32.1Very low223 Ų223137.6 Ų137.688%0.87580%0.796SS**  trans-134.8123174.3-136.9-78.3000106.5
377S26.8Very low32.1Very low119 Ų119134.4 Ų134.483%0.83279%0.788SS**  trans-173.1109.5166.6-88.40000114
378Y29.1Very low32.1Very low238 Ų238137 Ų13793%0.93380%0.796SS**  trans-163.6132.7130.9-123.5-84000106.6
379G29Very low32.1Very low67 Ų67134.2 Ų134.269%0.69180%0.795SS**  cis161.179.5-8.300000113.1
380S25.5Very low32.4Very low111 Ų111134.4 Ų134.478%0.77679%0.793SS**  trans-169.6130.6168.1-162.50000109.2
381L34.6Very low32.6Very low162 Ų162139.4 Ų139.485%0.84880%0.796SS**  cis-143.9168.3-7.7-154.876.2000110.4
382A30.7Very low33.8Very low72 Ų72138.5 Ų138.560%0.59579%0.787SS**  trans-27.9159.616500000118.8
383Q31.9Very low33.8Very low179 Ų179142.7 Ų142.784%0.83679%0.787SS**  cis-171.9139.6-7.5-107.2164.87.900108.2
384V33.4Very low33.9Very low144 Ų144135.4 Ų135.487%0.87377%0.774SS**  174.6143.4124.8-85.40000111.5
385S28.2Very low33.2Very low113 Ų113137 Ų13779%0.7978%0.781SS**  trans-141.6-169.5173-500000106.8
386P46.3Very low33.8Very low115 Ų115136.1 Ų136.175%0.74778%0.776SS**  cis-116.2-133.7-13.221.74.7000111
387T34.7Very low34.6Very low103 Ų103130.6 Ų130.663%0.63277%0.767SS**  cis-165141.65.8-16.30000114.4
388T32.5Very low34.9Very low132 Ų132129.6 Ų129.681%0.8176%0.76SS**  trans62.7161.4141.547.80000125.2
389S30.8Very low35.1Very low108 Ų108125.7 Ų125.776%0.75576%0.755SS**  trans88.7120162.9-147.20000116
390T31.1Very low35.3Very low115 Ų115126.9 Ų126.971%0.70675%0.752SS**  cis10496.324.2-61.20000113.7
391Y32.6Very low35.7Very low221 Ų221130.3 Ų130.387%0.86776%0.756SS**  trans60.4160.4156.8-86.5-124.2000118.3
392P53Low35.5Very low106 Ų106128.1 Ų128.169%0.68875%0.754SS**  cis-136-175-2634.1-14.6000115.2
393K31.3Very low36Very low190 Ų190131 Ų13183%0.82677%0.766SS**  trans99.9111.7138.4-144.5173.5-178.8177.80119.3
394S35.4Very low36Very low94 Ų94128 Ų12866%0.65777%0.766SS**  trans47.4138146.263.40000121.2
395T34.3Very low36.1Very low133 Ų133125.8 Ų125.882%0.81676%0.756SS**  cis-162.5168.81.18.10000109.2
396P45.5Very low37.3Very low113 Ų113126.3 Ų126.373%0.73476%0.757SS**  trans-100-163.3-169.745.9-40.7000111.8
397P50.9Low36.7Very low108 Ų108126.6 Ų126.670%0.70175%0.748SS**  cis-142.1-172.62.643.4-23.9000117.8
398S31.8Very low37.5Very low97 Ų97127.8 Ų127.868%0.67876%0.757SS**  trans90.8107.5144.6-66.20000122.8
399L34.5Very low37.7Very low157 Ų157125.6 Ų125.682%0.82275%0.753SS**  60.8103.8121.7-68.3162.9000121.9
400S31.7Very low37.7Very low91 Ų91124.4 Ų124.464%0.63675%0.745SS**  98136.5113.280.40000121.6
401H34.1Very low37.8Very low184 Ų184128.4 Ų128.485%0.85275%0.748SS**  trans56.3113.8160.7-56.5-61.4000121.4
402S31.6Very low37.9Very low115 Ų115120.6 Ų120.680%0.80474%0.735SS**  trans-85.2160.6160.7-43.10000111.4
403P41.5Very low36.9Very low133 Ų133123.2 Ų123.286%0.86474%0.738SS**  -138.3176.792.939.4-27.7000114.2
404S31.6Very low36.9Very low117 Ų117124.3 Ų124.382%0.81874%0.738SS**  trans-137.1142.8-175.756.10000113.1
405S35Very low37.7Very low96 Ų96125.3 Ų125.367%0.67174%0.743SS**  trans-86-173.8171580000112.2
406P53.5Low37.5Very low124 Ų124125 Ų12581%0.80575%0.746SS**  -145.8171.689.537.4-19.7000116.7
407H33.2Very low36.7Very low121 Ų121122.4 Ų122.456%0.5674%0.739SS**  trans-87.9178.3173.3-59.3-162.8000111.4E781H407-E781 IonicContact CE1-OE2 3.53Å; H407-E781 PolarHBondContact CE1-OE2 2.97Å; H407-E781 IonicContact ND1-OE2 2.58Å; H407-E781 PolarHBondContact ND1-OE2 3.48Å; H407-E781 VanDerWaalsContact ND1-OE2 3.1Å
408P51.4Low35.8Very low128 Ų128128.3 Ų128.383%0.83175%0.749SS**  -146.2179.78134.1-14000114.8
409A35.9Very low35.5Very low86 Ų86128.6 Ų128.671%0.71175%0.751SS**  cis-175.9163.2-35.400000111.3
410S32.3Very low35.2Very low84 Ų84126.6 Ų126.659%0.58775%0.749SS**  trans103.1111.1144.8-150.50000123.5P784S410-P784 WeakPolarHBondContact O-CD 3.48Å
411Y33.4Very low35Very low198 Ų198127.3 Ų127.378%0.77675%0.754SS**  trans52.4148.4135.9-78.9-95.7000125.1P784Y411-P784 WeakPolarHBondContact O-CG 3.25Å
412G33.4Very low35.9Very low58 Ų58123.5 Ų123.560%0.59875%0.746SS**  trans-160.6-80.1174.300000123.1
413H31.9Very low36.5Very low161 Ų161121.6 Ų121.675%0.74573%0.73SS**  trans62.5124.2-175.2-77.3-72.2000122.5
414Y32.3Very low36.1Very low213 Ų213122 Ų12284%0.83573%0.73SS**  trans71.7162.8143.5-79.6-50.1000121.1
415P52.6Low36Very low115 Ų115119.6 Ų119.675%0.74772%0.724SS**  trans-134.9173-138.443.1-24.8000117.1
416S30.2Very low36.2Very low126 Ų126121 Ų12188%0.88173%0.731SS**  trans152151.4143.1-174.70000112.2
417G28.1Very low35.1Very low58 Ų58122.3 Ų122.360%0.59873%0.727SS**  trans103.9113.4146.600000120.3
418Y30.9Very low34.9Very low232 Ų232127 Ų12791%0.9174%0.739SS**  trans47105.7140.4-65.4-84.7000123.2
419S26.3Very low33.8Very low103 Ų103125.7 Ų125.772%0.7273%0.733SS**  69.9134.8121.4-151.10000123.1
420C27.2Very low33.5Very low116 Ų116126.7 Ų126.778%0.78474%0.735SS**  trans71.6133.6160.1-66.40000118.6
421S29.2Very low33.2Very low105 Ų105129.4 Ų129.473%0.73474%0.743SS**  cis-145.7-134.7-9.2-70.20000112
422P51.4Low33.2Very low104 Ų104125 Ų12568%0.67574%0.739SS**  trans-114.7-164.6-138.841.7-20.3000113.3
423P45.1Very low33.1Very low75 Ų75126.7 Ų126.749%0.48774%0.742SS.*  cis-140.2-172.44.345.8-26.7000116.7
424V32.5Very low33Very low141 Ų141128.9 Ų128.986%0.85575%0.75SS**  trans46.3108164.8-169.90000116.8
425G29.9Very low33.2Very low68 Ų68121.4 Ų121.470%0.70174%0.738SS**  106.7159.361.500000110.3
426P39.7Very low32Very low124 Ų124127.6 Ų127.681%0.80575%0.748SS**  cis-135.5161.213.443.4-26.9000117.4
427Q29.1Very low31.9Very low153 Ų153125.3 Ų125.372%0.71574%0.744SS**  trans66.1104.4134.4-172.8153.3-94.200123.3
428R30.5Very low32Very low219 Ų219125.9 Ų125.983%0.82675%0.751SS**  trans71148.4140.3-72.9169.4-157.9-108.3-2.2118.7
429S28.6Very low31.9Very low100 Ų100125.6 Ų125.670%0.69975%0.754SS**  cis-159.6176.3-0.733.60000111.4
430S28.5Very low32.1Very low107 Ų107124.3 Ų124.375%0.74876%0.757SS**  trans79.9142-169.677.20000113.6
431D25.9Very low32.3Very low142 Ų142125.5 Ų125.576%0.75976%0.761SS**  cis-157.1159.8-13.1-120.6-34.1000113.8
432C33.2Very low33.3Very low104 Ų104125.9 Ų125.970%0.70376%0.761SS**  trans58154.1147.1-70.40000125.2
433S31.3Very low32.2Very low94 Ų94125.1 Ų125.166%0.65776%0.763SS**  trans90.1116.6136.4-76.50000124.6
434F31.6Very low31.4Very low207 Ų207128.1 Ų128.191%0.90878%0.775SS**  trans54156.3142.7-67.5-85.9000121.7
435G35.6Very low31.2Very low57 Ų57129.1 Ų129.159%0.58877%0.77SS**  cis147.2141.7-12.600000115.6
436Y27.6Very low31.2Very low245 Ų245133.2 Ų133.296%0.96177%0.773SS**  trans-158.4146.8162.1-92.2-84.5000105.7
437G28Very low30.6Very low77 Ų77130.3 Ų130.379%0.79477%0.766SS**  cis123.4121.111.800000109.1
438G30.4Very low30.6Very low71 Ų71132.3 Ų132.373%0.73277%0.768SS**  cis179.2-159.7-1.200000111.6
439K29.2Very low30.4Very low226 Ų226128.5 Ų128.598%0.98376%0.763SS**  trans73.9139.8179.3-57.5-176.9176.6-179.40117.9
440G29.8Very low30.3Very low75 Ų75129.6 Ų129.677%0.77376%0.761SS**  trans132.6101.2157.900000117.2
441T31.1Very low30.3Very low142 Ų142134.3 Ų134.387%0.87176%0.764SS**  trans-152.1167.5172.929.90000109.3
442P49.9Very low30.4Very low113 Ų113136.6 Ų136.673%0.73477%0.77SS**  cis-135.2172.4-1138.1-20.8000116.1
443A29.5Very low30.2Very low88 Ų88134.6 Ų134.673%0.72777%0.767SS**  trans61-177.9148.100000117.8
444N26.8Very low30.1Very low138 Ų138136.4 Ų136.474%0.73877%0.774SS**  cis-164169.912.3-150.2-13.2000113.3
445Q29.5Very low29.9Very low162 Ų162132.4 Ų132.476%0.75777%0.767SS**  trans69.3143157.8-69.4-164.798.100119.8
446M29.1Very low29.7Very low154 Ų154139.7 Ų139.776%0.75978%0.776SS**  cis83.4131.149.2-146.985.6157.700112.1
447G27.1Very low29.9Very low63 Ų63138.7 Ų138.765%0.64977%0.771SS**  cis168.5-175.9-5.900000112.7
448Y28.6Very low29.7Very low194 Ų194138.2 Ų138.276%0.76177%0.766SS**  trans76.6127163.2-68.3-67.4000124.1
449L28.1Very low29.5Very low139 Ų139145.4 Ų145.473%0.72877%0.772SS**  trans62.5163.3133.9-63.3165.4000119.8
450N26Very low29.4Very low123 Ų123140.3 Ų140.366%0.65877%0.765SS**  cis-153.7145.25.6-141.4-9.4000114.6
451Y27.6Very low29.3Very low207 Ų207140.2 Ų140.281%0.81277%0.765SS**  trans31159.5143.6-96.2-108.6000127.2
452Q28.3Very low29.4Very low190 Ų190144.5 Ų144.589%0.88877%0.767SS**  trans74.4151.5169.2-56.9-172.59.200117.6
453G29.3Very low29.1Very low62 Ų62144.7 Ų144.764%0.63977%0.767SS**  cis-166.9145.4-7.200000111.2
454V29.1Very low29Very low132 Ų132144.5 Ų144.580%0.877%0.766SS**  92.4134.290169.80000115.2
455T27.8Very low29Very low123 Ų123144.3 Ų144.376%0.75577%0.77SS**  trans65.7161.116845.60000120.8
456R30.1Very low28.9Very low209 Ų209141.4 Ų141.479%0.78977%0.767SS**  cis-177.3150.5-44.4-117.6-168.8-170.2-1308.8110.6
457R32.4Very low29Very low225 Ų225143.3 Ų143.385%0.84977%0.774SS**  trans65.2164172.5-51.2-177.7-159.9-126.98.3114.5
458G25.1Very low29.3Very low66 Ų66145.3 Ų145.368%0.6878%0.778SS**  cis153.5163.5-1200000113.7
459Y26Very low30.2Very low222 Ų222141.9 Ų141.987%0.87178%0.779SS**  trans77.2103.8172.2-78.5-98.5000121.1
460S26.2Very low30.6Very low119 Ų119143.3 Ų143.383%0.83278%0.784SS**  33.2124.5114.8-1780000121.6
461G27.9Very low30.9Very low74 Ų74141 Ų14176%0.76379%0.789SS**  trans-177.4125.7157.400000115.8
462Y33.8Very low31Very low232 Ų232140.6 Ų140.691%0.9179%0.786SS**  trans-85.3172.6157.4-84.9-98.5000109
463P43.6Very low31.2Very low116 Ų116133.8 Ų133.875%0.75377%0.767SS**  cis-116.9-177.518.714.812.4000112.9
464A25.9Very low31.2Very low84 Ų84137.6 Ų137.669%0.69477%0.768SS**  cis88.9142.826.900000117.1
465V28.6Very low31.4Very low135 Ų135137 Ų13782%0.81877%0.77SS**  trans89.1126.9173.2-170.60000119.2
466S27.3Very low31.6Very low100 Ų100135.5 Ų135.570%0.69977%0.769SS**  trans-59.8175.8178.3-32.30000117.9
467H31.3Very low31.5Very low194 Ų194128.8 Ų128.890%0.89877%0.766SS**  -162.8162.4126.4-93.2-59.5000112.3
468S31.8Very low32.2Very low106 Ų106123.9 Ų123.974%0.74176%0.763SS**  trans-108.4-177.9-178.3-46.10000111.5
469P47.5Very low32.5Very low121 Ų121127 Ų12779%0.78677%0.769SS**  -130.2174.970.342.9-32.1000112.7
470M38Very low32.7Very low170 Ų170121.7 Ų121.784%0.83777%0.765SS**  cis89.8141.811.8-165.252.267.300117.5
471G30.9Very low34.1Very low73 Ų73122.3 Ų122.375%0.75377%0.766SS**  trans118.2101.9177.500000112.3
472R29.5Very low34Very low200 Ų200122.5 Ų122.576%0.75577%0.768SS**  cis-122166.97.9-130.5-167.1-118.1-85.5-1.6109.6E474R472-E474 WeakPolarHBondContact CD-OE2 3.18Å; R472-E474 WeakPolarHBondContact CG-OE1 3.46Å; R472-E474 IonicContact CZ-OE2 3.33Å; R472-E474 IonicContact NE-OE2 2.69Å; R472-E474 IonicContact NH1-OE1 3.68Å; R472-E474 PolarHBondContact NH1-OE1 3.13Å; R472-E474 IonicContact NH1-OE2 3.1Å; R472-E474 PolarHBondContact NH1-OE2 2.95Å
473G33Very low34Very low47 Ų47115.2 Ų115.249%0.48576%0.763SS.*  cis89.4149.17.700000113.2
474E29.7Very low33.3Very low142 Ų142112.5 Ų112.566%0.66476%0.756SS**  cis-94.5-137.5-5.9-79.959.5-112.300109R472R472-E474 WeakPolarHBondContact CD-OE2 3.18Å; R472-E474 WeakPolarHBondContact CG-OE1 3.46Å; R472-E474 IonicContact CZ-OE2 3.33Å; R472-E474 IonicContact NE-OE2 2.69Å; R472-E474 IonicContact NH1-OE1 3.68Å; R472-E474 PolarHBondContact NH1-OE1 3.13Å; R472-E474 IonicContact NH1-OE2 3.1Å; R472-E474 PolarHBondContact NH1-OE2 2.95Å
475S32.4Very low33.5Very low120 Ų120118.6 Ų118.684%0.83976%0.762SS**  cis-152.8-120.6-1.459.70000111.7
476A31.9Very low33.7Very low90 Ų90119.9 Ų119.974%0.74476%0.761SS**  trans-142.6157.5-174.400000110.6
477G29.2Very low34Very low69 Ų69119.5 Ų119.571%0.71176%0.759SS**  cis97.2157.521.400000111.1
478P46.1Very low34.1Very low122 Ų122116.9 Ų116.979%0.79276%0.756SS**  cis-135.1-150.81.741.7-21.6000113.1
479T32.3Very low34.1Very low130 Ų130116.4 Ų116.480%0.79876%0.759SS**  trans97.9147.5159.2-29.30000118.2
480S29.2Very low33.3Very low112 Ų112120.9 Ų120.978%0.78377%0.766SS**  trans-104.7-151.3179.2-56.20000111.6
481P56Low32.9Very low132 Ų132116.3 Ų116.386%0.85776%0.762SS**  -115.6165.6-112.838.5-22.7000115.6
482G27.1Very low32.8Very low78 Ų78118.6 Ų118.680%0.80477%0.767SS**  trans166.3164.7165.400000115.7
483G32.3Very low33.9Very low79 Ų79113.9 Ų113.981%0.81476%0.762SS**  trans83129.217300000115
484G29.2Very low33.7Very low58 Ų58120.5 Ų120.560%0.59878%0.778SS**  cis106.1125.2-6.300000114.6
485Y30.2Very low33.4Very low213 Ų213119.8 Ų119.884%0.83579%0.789SS**  trans57.5120.5169.561.9-101.9000118.5
486M32.5Very low33.3Very low161 Ų161119.7 Ų119.779%0.79379%0.788SS**  61136.795.5-54.7-67.491.100115.2
487S35Very low33Very low92 Ų92121.1 Ų121.164%0.64379%0.792SS**  cis-171.3-165.8-14.7-92.70000106.2
488V32.9Very low32.9Very low140 Ų140122 Ų12285%0.84879%0.793SS**  cis-152.913111-168.60000108.9
489A31.1Very low32.1Very low96 Ų96121.6 Ų121.679%0.79379%0.788SS**  trans-160.5118.415600000114.1
490K31.9Very low32Very low214 Ų214123.7 Ų123.793%0.9379%0.789SS**  trans17.4112.2156.3-61.2179.9179.2179.60118.9
491G29.5Very low31.9Very low74 Ų74121.3 Ų121.376%0.76378%0.783SS**  trans-98-152.6159.400000113.3
492S27.2Very low30.5Very low121 Ų121125.5 Ų125.585%0.84678%0.783SS**  trans89.8130.8-177.5-158.70000115.7
493P52.7Low30.8Very low101 Ų101129.3 Ų129.366%0.65678%0.777SS**  trans-108.8-159.8-175.943.2-35.5000113.3
494F28.8Very low30.4Very low186 Ų186132.4 Ų132.482%0.81677%0.77SS**  trans79.6121.8179.7-64.3-80.3000117.5
495S24.9Very low30.3Very low128 Ų128140.2 Ų140.290%0.89578%0.783SS**  -160.3153.4113.6-80.20000111
496S28.5Very low30Very low118 Ų118137 Ų13783%0.82578%0.78SS**  trans-107.7156.9178.9-50.50000110.8
497S26.8Very low29.8Very low120 Ų120133.9 Ų133.984%0.83978%0.775SS**  trans-150.7135.8156.857.60000111.6
498A27.4Very low29.6Very low87 Ų87135.5 Ų135.572%0.71978%0.776SS**  trans-75.2177.3159.300000109
499T28.4Very low29.3Very low113 Ų113134.6 Ų134.669%0.69376%0.763SS**  cis-125.2-165.818.1490000110.4
500E29.9Very low29.2Very low174 Ų174140.6 Ų140.681%0.81377%0.765SS**  cis-167167.120.5-153.1136.6-10100112.9
501G27.9Very low28.9Very low63 Ų63135.7 Ų135.765%0.64976%0.758SS**  88.453.6126.600000123.2
502Y27.3Very low28.6Very low220 Ų220137.4 Ų137.486%0.86376%0.757SS**  trans69.7151.5134.9-104.4-132.8000123.3
503K31.5Very low29.1Very low158 Ų158143.2 Ų143.269%0.68776%0.76SS**  trans80.898149.7-68.1-91.8-178.7171.50122.4
504Q24.9Very low27.8Very low143 Ų143146.5 Ų146.567%0.66877%0.767SS**  103.5105.2105.7-156.3169.5-5300120.4
505Y27.3Very low27.8Very low223 Ų223142.5 Ų142.588%0.87577%0.768SS**  trans75.9142.8154.9-85.1-121.3000120
506N24Very low28Very low144 Ų144145.9 Ų145.977%0.7777%0.767SS**  trans-126.5142.4177.4176.7-34.2000107.6
507S28.3Very low28.1Very low97 Ų97143.6 Ų143.668%0.67876%0.762SS**  trans-145.4132167.8-75.60000111.5
508N29.3Very low28.1Very low126 Ų126141 Ų14167%0.67476%0.755SS**  trans70.6109.9151.5-69.8-23.7000120.7
509Q28.6Very low28.2Very low121 Ų121147.9 Ų147.957%0.56576%0.762SS**  104.2126.8108.3-80.4173.5-20.100121.4
510W28.5Very low28.3Very low222 Ų222145.9 Ų145.984%0.84175%0.753SS**  trans58.2135.2159.4-25.3-58.8000117.9
511S24.4Very low28.5Very low111 Ų111140 Ų14078%0.77673%0.734SS**  cis-177146.135.4-168.10000113.2
512C24.6Very low28.8Very low110 Ų110141.3 Ų141.374%0.74373%0.726SS**  trans39.1115145.9-163.90000122.4
513R35.9Very low29Very low243 Ų243135.1 Ų135.192%0.91771%0.708SS**  -162.6158.5116.3-105168.7-161.4-77-2.6112
514Q26.6Very low29.2Very low170 Ų170136.2 Ų136.279%0.79471%0.713SS**  trans-106.7153.6178.3-68.1-171.59.400112.8
515A28Very low29.7Very low101 Ų101133.1 Ų133.184%0.83572%0.719SS**  trans-152.1163.1146.900000109.8
516F29.2Very low29.9Very low199 Ų199127.3 Ų127.387%0.87371%0.711SS**  trans-105154.4-171.3-80.2-115.8000113.4
517G30.9Very low30.2Very low71 Ų71129 Ų12973%0.73272%0.715SS**  trans-169.2157.917000000113.1
518G28Very low30.3Very low66 Ų66134.6 Ų134.668%0.6872%0.722SS**  trans-66.1155-179.400000114.1
519W29.5Very low30.2Very low231 Ų231138.1 Ų138.188%0.87573%0.734SS**  72.2131.857.1-55.47.6000111.6K540W519-K540 VanDerWaalsContact CD1-NZ 3.27Å; W519-K540 VanDerWaalsContact CG-NZ 3.33Å
520S30.3Very low30.3Very low71 Ų71135.5 Ų135.550%0.49774%0.739SS.*  cis-170.8152.15.1-144.50000113.7E538 K540S520-E538 VanDerWaalsContact C-CD 3.43Å; S520-E538 VanDerWaalsContact CA-OE2 3.23Å; S520-E538 WeakPolarHBondContact CA-OE2 3.27Å; S520-K540 PolarHBondContact OG-NZ 3.3Å
521A33Very low30.3Very low51 Ų51134.3 Ų134.342%0.42174%0.736SS.*  trans57137.2156.300000118.3E538A521-E538 PolarHBondContact N-OE1 3.26Å; A521-E538 PolarHBondContact N-OE2 3.16Å
522D34.5Very low30.6Very low89 Ų89134 Ų13448%0.47673%0.734SS.*  cis-172.3150.915.3-115.6-5.6000112.1S539D522-S539 WeakPolarHBondContact OD1-CB 3.4Å; D522-S539 PolarHBondContact OD1-OG 3.01Å
523N31Very low30.9Very low91 Ų91136.5 Ų136.549%0.48774%0.735SS.*  trans60.3158.9146-70.5-50.1000120.8
524F36Very low30.8Very low181 Ų181135.1 Ų135.179%0.79473%0.731SS**  cis-151.7147.4-5.3-121.4-50.1000108.6
525G35.1Very low31.2Very low78 Ų78130.4 Ų130.480%0.80473%0.728SS**  trans-171.877.317800000115
526S31.4Very low31.6Very low101 Ų101130.9 Ų130.971%0.70673%0.725SS**  trans-83.6140.4-174.6-60.60000114.5
527Q30.6Very low31.9Very low179 Ų179128.7 Ų128.784%0.83672%0.723SS**  trans69.387.6139.8-167.6177.84.100118.8
528Y29.8Very low32.1Very low215 Ų215130.2 Ų130.284%0.84371%0.711SS**  trans-148.5142.8130.3-110.8-76.6000111.2G530Y528-G530 PolarHBondContact O-N 3.35Å
529H28.2Very low32.8Very low200 Ų200129.6 Ų129.693%0.92670%0.696SS**  trans-80.6110.5165.2-124.3-51.9000107.9
530G30.8Very low33.5Very low65 Ų65123.5 Ų123.567%0.6768%0.676SS**  trans-160.9150.317800000109Y528Y528-G530 PolarHBondContact O-N 3.35Å
531Y28.7Very low34.4Very low198 Ų198126.9 Ų126.978%0.77669%0.688SS**  trans-82.4151.8-172.9-104.3-114.2000113.2
532S30.7Very low35.3Very low104 Ų104128.8 Ų128.873%0.72769%0.69SS**  trans79.8109.4158.4-57.30000121.1
533E29.9Very low36.3Very low162 Ų162127.9 Ų127.976%0.75769%0.685SS**  trans76.2136.6130.5-109.3173.2-156.400123.5
534Y34.9Very low37Very low215 Ų215130.3 Ų130.384%0.84370%0.698SS**  trans63.4120.5170-62.3-80.3000121.1
535G34Very low37.6Very low71 Ų71128.4 Ų128.473%0.73270%0.695SS**  trans162.3157.6170.900000112.6
536S36.3Very low38Very low111 Ų111128.5 Ų128.578%0.77668%0.683SS**  trans-148.7157.6-172.7-600000116.5
537N36.2Very low38.8Very low152 Ų152130.8 Ų130.881%0.81369%0.687SS**  trans92.8134.7160.6-56.1-26.2000120.5
538E35.2Very low39.2Very low104 Ų104132.4 Ų132.449%0.48669%0.687SS.*  trans55.1134.7139.4-156.9136.160.900119.8S520 A521S520-E538 VanDerWaalsContact C-CD 3.43Å; S520-E538 VanDerWaalsContact CA-OE2 3.23Å; S520-E538 WeakPolarHBondContact CA-OE2 3.27Å; A521-E538 PolarHBondContact N-OE1 3.26Å; A521-E538 PolarHBondContact N-OE2 3.16Å
539S43Very low40.1Very low53 Ų53127.8 Ų127.837%0.37168%0.681SS.*  cis-144.8176.724.656.90000111D522D522-S539 WeakPolarHBondContact OD1-CB 3.4Å; D522-S539 PolarHBondContact OD1-OG 3.01Å
540K43.7Very low41Very low103 Ų103123.4 Ų123.445%0.44867%0.671SS.*  cis79.146.524.2-132.7-165.8-176.3-171.10116.4W519 S520W519-K540 VanDerWaalsContact CD1-NZ 3.27Å; W519-K540 VanDerWaalsContact CG-NZ 3.33Å; S520-K540 PolarHBondContact OG-NZ 3.3Å
541D49Very low41.4Very low141 Ų141129.1 Ų129.175%0.75468%0.68SS**  trans-146.2155.2131.2-129.3-10.8000115.1
542I51.5Low41.8Very low91 Ų91129.5 Ų129.547%0.46769%0.686SS.*  trans-145.1124.2-166.7-96.3169.9000108P672 G673 P674I542-P672 CarbonylContact C-O 3.49Å; I542-P672 WeakPolarHBondContact CA-O 3.3Å; I542-P672 WeakPolarHBondContact CG2-O 3.21Å; I542-G673 WeakPolarHBondContact CG2-O 3.43Å; I542-P674 HydrophobicContact CD1-CB 4.32Å; I542-P674 HydrophobicContact CG2-CB 3.94Å; I542-P674 VanDerWaalsContact CG2-CD 3.4Å; I542-P674 HydrophobicContact CG2-CG 3.62Å
543L57.3Low42.1Very low70 Ų70129.3 Ų129.337%0.36669%0.691SS.*  trans-95.9133.1-149.8-78.771.6000115.8I545 A671 P672L543-I545 WeakPolarHBondContact O-CG1 3.45Å; L543-I545 PolarHBondContact O-N 2.55Å; L543-A671 HydrophobicContact CB-CB 4.33Å; L543-A671 HydrophobicContact CD1-CB 3.93Å; L543-A671 HydrophobicContact CD2-CB 3.72Å; L543-A671 HydrophobicContact CG-CB 4.19Å; L543-P672 PolarHBondContact N-O 3.35Å
544D45.5Very low42.2Very low142 Ų142131.1 Ų131.176%0.75970%0.696SS**  trans-60.293.1162.6-93.9-23.2000110.9S546D544-S546 PolarHBondContact O-N 2.87Å
545I47.4Very low42.2Very low142 Ų142132.2 Ų132.273%0.72870%0.699SS**  trans-73.124.1171.1-24.5-176.5000112.2L543 A671L543-I545 WeakPolarHBondContact O-CG1 3.45Å; L543-I545 PolarHBondContact O-N 2.55Å; I545-A671 WeakPolarHBondContact CD1-O 3.46Å; I545-A671 WeakPolarHBondContact CG1-O 3.05Å
546S43.5Very low42.1Very low79 Ų79135.7 Ų135.755%0.55270%0.696SS**  trans-116.842.7-166.259.30000114.2D544D544-S546 PolarHBondContact O-N 2.87Å
547N48Very low42.7Very low149 Ų149135.6 Ų135.680%0.79769%0.693SS**  trans-144.767.6168-92.7-46.8000113.6
548Y38.9Very low42.8Very low213 Ų213134.6 Ų134.684%0.83568%0.681SS**  trans-133.8115.9151.4-147.1-98.3000111.8
549T50.1Low43.4Very low118 Ų118135.7 Ų135.772%0.72470%0.698SS**  trans-112.4108.6171.6-62.20000107.5Q551T549-Q551 PolarHBondContact O-N 2.85Å
550P46.2Very low42.8Very low108 Ų108140 Ų14070%0.70171%0.712SS**  trans-61.9112178.223.6-32.1000110
551Q39.3Very low42.2Very low185 Ų185140.5 Ų140.586%0.86473%0.728SS**  trans-82.3128.6-166.9-160.6167.22.300110.3T549 A553T549-Q551 PolarHBondContact O-N 2.85Å; Q551-A553 PolarHBondContact O-N 3.34Å
552K37Very low41.6Very low206 Ų206141.3 Ų141.390%0.89673%0.731SS**  trans-68.999.6-175.1-71.2-164.9174.5-163.70112.4K554K552-K554 PolarHBondContact O-N 3.45Å
553A38Very low40.6Very low101 Ų101141.5 Ų141.584%0.83574%0.741SS**  trans-71.6121.3162.100000110.1Q551Q551-A553 PolarHBondContact O-N 3.34Å
554K31.6Very low39.3Very low200 Ų200146.9 Ų146.987%0.8776%0.764SS**  trans-114107.9176.9-177.6-171177.4-169.30108.8K552K552-K554 PolarHBondContact O-N 3.45Å
555R35.5Very low38.6Very low237 Ų237145.8 Ų145.889%0.89477%0.768SS**  trans-125126.6174.2-78.3-78-173.9163.40.8109.9
556Q30.7Very low37.9Very low144 Ų144143.7 Ų143.767%0.67377%0.765SS**  trans-168.9155.5176.5-87.6-62.6-28.300105.6
557P48.3Very low37.4Very low110 Ų110145.5 Ų145.571%0.71478%0.778SS**  cis-130.1167.40.440.6-24.4000116.5
558F38.2Very low36.6Very low131 Ų131146.1 Ų146.158%0.57578%0.781SS**  trans13.2152.3139.1-69.5-74.6000122.2E560F558-E560 HydrophobicContact CD1-CG 3.68Å; F558-E560 HydrophobicContact CE1-CG 3.61Å; F558-E560 WeakPolarHBondContact CE1-OE1 2.92Å
559P48.5Very low36.3Very low127 Ų127140.4 Ų140.483%0.82577%0.773SS**  -122.5141.877.136.7-31000115.8
560E30.9Very low35.4Very low143 Ų143139.1 Ų139.167%0.66877%0.769SS**  trans-81.6159.9155.3-71143149.400110.2F558F558-E560 HydrophobicContact CD1-CG 3.68Å; F558-E560 HydrophobicContact CE1-CG 3.61Å; F558-E560 WeakPolarHBondContact CE1-OE1 2.92Å
561S31Very low34.7Very low113 Ų113142.1 Ų142.179%0.7977%0.773SS**  trans-157.7107.7157.5-78.80000111.6
562L35.6Very low34.3Very low158 Ų158137.5 Ų137.583%0.82776%0.757SS**  trans68.3110.4163.1-46.1179.4000115.2
563S31.1Very low34Very low95 Ų95130.9 Ų130.966%0.66475%0.747SS**  66.7102.668-570000112
564E30.2Very low33.6Very low184 Ų184129.1 Ų129.186%0.8673%0.729SS**  68.98076.1-71.1-174.397.900114.2
565S30.3Very low33.7Very low119 Ų119126.1 Ų126.183%0.83273%0.727SS**  trans-177.7149.6150.6-84.50000109.4
566S33.2Very low33.4Very low97 Ų97118.5 Ų118.568%0.67872%0.715SS**  cis-170.2169.1-17.762.90000109.6
567S31.9Very low34.1Very low117 Ų117117.1 Ų117.182%0.81872%0.719SS**  trans79.7143.7149.5-51.70000120.2
568D32.9Very low33.2Very low162 Ų162117.4 Ų117.487%0.86672%0.718SS**  trans-85-178.4174.9-159.4-17.4000111.2
569S32.1Very low32.8Very low93 Ų93118.9 Ų118.965%0.6573%0.731SS**  trans109.2103.3155.2-155.50000119.8
570S31.1Very low31.8Very low92 Ų92116 Ų11664%0.64372%0.723SS**  72.2125.2126.969.90000123.6
571H32.2Very low32.7Very low171 Ų171115 Ų11579%0.79273%0.73SS**  trans87.3122.3138.8100.8-45.9000122.7
572V30.1Very low32.7Very low87 Ų87115.1 Ų115.153%0.52773%0.731SS.*  trans25.2124.9133.6-167.50000119.3
573G31.1Very low32.7Very low67 Ų67112.9 Ų112.969%0.69173%0.728SS**  trans170.488.8162.600000115.1
574S30.3Very low32.8Very low64 Ų64114.9 Ų114.945%0.44874%0.736SS.*  trans-66.4134.5165.2-990000111.8V199V199-S574 PolarHBondContact O-OG 3.37Å
575T31.9Very low32.7Very low137 Ų137109.9 Ų109.984%0.8473%0.734SS**  -170.2131.1126.624.20000112.4
576A31Very low32.7Very low77 Ų77107.9 Ų107.964%0.63673%0.732SS**  trans-98.9-170.815300000107.9
577P43.8Very low32.5Very low116 Ų116109.1 Ų109.175%0.75374%0.741SS**  cis-137.3-144.4-2.524.34.2000112.3
578V31Very low32.5Very low116 Ų116112 Ų11270%0.70374%0.735SS**  trans95.7108.4148.4174.20000120.2
579I29.3Very low32.5Very low162 Ų162112.3 Ų112.383%0.83172%0.724SS**  trans63.4139.8146.4-61.9173.1000117.1
580G28.1Very low32.3Very low65 Ų65114.3 Ų114.367%0.6772%0.723SS**  cis110.9158.517.800000110.9
581P49.7Very low32.2Very low123 Ų123115.8 Ų115.880%0.79972%0.724SS**  cis-119.8179.7-0.440.6-24.5000113.5
582S30.8Very low32.1Very low116 Ų116115.7 Ų115.781%0.81172%0.724SS**  -178.4168.392.6-65.80000112.3
583S34.6Very low32.2Very low110 Ų110115 Ų11577%0.76973%0.727SS**  trans-89.6179.6-169.162.70000114.6
584T32.6Very low32.3Very low138 Ų138115.9 Ų115.985%0.84773%0.728SS**  cis-157.6157.221.9-32.20000110.4
585G29Very low32.4Very low79 Ų79118.1 Ų118.181%0.81474%0.744SS**  trans-161.4-76-176.600000118.5
586G29.9Very low32.3Very low76 Ų76118.6 Ų118.678%0.78475%0.746SS**  trans95.3137.5171.600000118.6
587S30.2Very low32.4Very low124 Ų124120.5 Ų120.587%0.86776%0.755SS**  trans61.3144157.9-710000121.7
588Y30.3Very low32Very low177 Ų177120.2 Ų120.269%0.69476%0.762SS**  cis-167.7130.3-19.4-167.6-128.2000110.3
589R33.2Very low32.4Very low169 Ų169117.8 Ų117.864%0.63876%0.76SS**  trans65.1159.2164.9-57.5-76169.4-172.8-4.3118.1
590Q28.7Very low32.8Very low135 Ų135119.4 Ų119.463%0.63176%0.764SS**  cis-163.1149.4-31.7175.6162.2-28.700110
591N29.2Very low33.4Very low123 Ų123121.6 Ų121.666%0.65877%0.77SS**  trans-10.9155160.8-59.330000119.4
592E29.9Very low33.1Very low168 Ų168121.7 Ų121.779%0.78577%0.773SS**  cis-163.7-175.3-4-110.5169-60.300107
593A31.5Very low34.4Very low73 Ų73121 Ų12160%0.60376%0.76SS**  cis-143.1-174.99.900000108.1
594A32.5Very low35.6Very low86 Ų86118.8 Ų118.871%0.71175%0.745SS**  cis70.2139.219.100000118.2
595S32.7Very low37.5Very low111 Ų111117.4 Ų117.478%0.77674%0.741SS**  -178.4113.6-64.349.30000110.1
596V30.3Very low39.7Very low147 Ų147119.2 Ų119.289%0.89173%0.731SS**  trans-147.7128.1168.2-154.50000107.6
597S33.2Very low41.8Very low116 Ų116119.7 Ų119.781%0.81171%0.713SS**  cis101.86013.6-164.90000117.2
598A35.8Very low44.2Very low110 Ų110119 Ų11991%0.90969%0.694SS**  trans-152.7150.9148.600000108.4
599G39.9Very low46.8Very low65 Ų65115.4 Ų115.467%0.6769%0.686SS**  cis163.749.3-0.400000111.6S601G599-S601 PolarHBondContact O-N 3.48Å; G599-S601 VanDerWaalsContact O-N 3.15Å
600Q37.2Very low49.2Very low196 Ų196112.2 Ų112.292%0.91668%0.68SS**  trans-75.8105.1-170.6-68.9-148.6-28.800113.4
601S39.5Very low51.6Low111 Ų111111.3 Ų111.378%0.77668%0.677SS**  trans-64.1133170.9-64.20000111.8G599 L603G599-S601 PolarHBondContact O-N 3.48Å; G599-S601 VanDerWaalsContact O-N 3.15Å; S601-L603 PolarHBondContact O-N 3.09Å
602S43.9Very low53.8Low125 Ų125108.4 Ų108.487%0.87466%0.661SS**  trans-77.190.6179.6-51.70000111.8S604S602-S604 PolarHBondContact O-N 3.33Å
603L57.5Low55.8Low102 Ų102109.2 Ų109.253%0.53466%0.657SS.*  trans-54.7139.1160.7-62.2-177.9000109S601 E607S601-L603 PolarHBondContact O-N 3.09Å; L603-E607 HydrophobicContact CB-CG 4.44Å; L603-E607 HydrophobicContact CD2-CG 4.42Å
604S60.8Low57.4Low64 Ų64111.8 Ų111.845%0.44866%0.657SS.*  trans-65.6149.4179.770.40000110.3S602 L606 E607 K608S602-S604 PolarHBondContact O-N 3.33Å; S604-L606 PolarHBondContact O-N 3.19Å; S604-E607 PolarHBondContact N-OE2 3.12Å; S604-E607 WeakPolarHBondContact O-CB 2.95Å; S604-E607 PolarHBondContact O-N 2.87Å; S604-E607 VanDerWaalsContact OG-CB 3.27Å; S604-E607 WeakPolarHBondContact OG-CB 3.26Å; S604-E607 PolarHBondContact OG-N 3.03Å; S604-E607 PolarHBondContact OG-OE2 2.83Å; S604-K608 PolarHBondContact O-N 3.47Å
605S72.3Confident58.7Low109 Ų109115 Ų11576%0.76266%0.657SS**Hα-helixtrans-64.1-18-176.663.60000113.9L609S605-L609 VanDerWaalsContact O-CB 3.22Å; S605-L609 WeakPolarHBondContact O-CB 3.35Å; S605-L609 PolarHBondContact O-N 2.96Å
606L75Confident59.8Low117 Ų117114.7 Ų114.761%0.61366%0.655SS**Hα-helixtrans-72.9-46.8170.3176.861.3000111.8S604 L609 M610S604-L606 PolarHBondContact O-N 3.19Å; L606-L609 PolarHBondContact O-N 3.44Å; L606-M610 HydrophobicContact CD1-CG 4.49Å; L606-M610 HydrophobicContact CD1-SD 4.48Å; L606-M610 HydrophobicContact CG-SD 4.32Å; L606-M610 WeakPolarHBondContact O-CG 3.45Å; L606-M610 PolarHBondContact O-N 3.37Å
607E74.6Confident61Low86 Ų86111.1 Ų111.140%0.40264%0.641SS.*Hα-helixtrans-65.3-42.3179.3-178.8174.5-147.900111.3L603 S604 M610 M611L603-E607 HydrophobicContact CB-CG 4.44Å; L603-E607 HydrophobicContact CD2-CG 4.42Å; S604-E607 PolarHBondContact N-OE2 3.12Å; S604-E607 WeakPolarHBondContact O-CB 2.95Å; S604-E607 PolarHBondContact O-N 2.87Å; S604-E607 VanDerWaalsContact OG-CB 3.27Å; S604-E607 WeakPolarHBondContact OG-CB 3.26Å; S604-E607 PolarHBondContact OG-N 3.03Å; S604-E607 PolarHBondContact OG-OE2 2.83Å; E607-M610 PolarHBondContact O-N 2.75Å; E607-M611 WeakPolarHBondContact O-CG 3.46Å; E607-M611 PolarHBondContact O-N 2.79Å; E607-M611 VanDerWaalsContact O-N 3.16Å
608K80.9Confident61.9Low109 Ų109110.5 Ų110.547%0.47464%0.637SS.*Hα-helixtrans-55.3-52.4169.1-177.259.2-179.3141.30111.3S604 M610 M611 D612S604-K608 PolarHBondContact O-N 3.47Å; K608-M610 VanDerWaalsContact C-N 3.34Å; K608-M610 PolarHBondContact O-N 2.86Å; K608-M611 PolarHBondContact O-N 3.07Å; K608-D612 WeakPolarHBondContact CE-OD1 3.48Å; K608-D612 IonicContact NZ-OD1 2.77Å; K608-D612 PolarHBondContact NZ-OD1 3.45Å; K608-D612 IonicContact NZ-OD2 3.71Å; K608-D612 WeakPolarHBondContact O-CB 3.37Å; K608-D612 PolarHBondContact O-N 3.42Å
609L83.4Confident62.6Low101 Ų101107.8 Ų107.853%0.52962%0.619SS.*Hα-helixtrans-66.9-31-178.7-171.4149.6000113.1S605 L606 W613S605-L609 VanDerWaalsContact O-CB 3.22Å; S605-L609 WeakPolarHBondContact O-CB 3.35Å; S605-L609 PolarHBondContact O-N 2.96Å; L606-L609 PolarHBondContact O-N 3.44Å; L609-W613 VanDerWaalsContact O-CB 3.3Å; L609-W613 WeakPolarHBondContact O-CB 3.4Å; L609-W613 PolarHBondContact O-N 2.93Å
610M83.4Confident62.8Low102 Ų102110 Ų11050%0.50262%0.622SS.*Hα-helixtrans-64.9-45.1172.9-78.1176.759.800111.6L606 E607 K608 W613 H614L606-M610 HydrophobicContact CD1-CG 4.49Å; L606-M610 HydrophobicContact CD1-SD 4.48Å; L606-M610 HydrophobicContact CG-SD 4.32Å; L606-M610 WeakPolarHBondContact O-CG 3.45Å; L606-M610 PolarHBondContact O-N 3.37Å; E607-M610 PolarHBondContact O-N 2.75Å; K608-M610 VanDerWaalsContact C-N 3.34Å; K608-M610 PolarHBondContact O-N 2.86Å; M610-W613 PolarHBondContact O-N 3Å; M610-H614 PolarHBondContact O-CD2 2.99Å; M610-H614 PolarHBondContact O-N 3.2Å
611M79.3Confident63.1Low117 Ų117106.5 Ų106.558%0.57662%0.619SS**Hα-helixtrans-66.1-47.9176.3-61-57.5167.800111.4E607 K608 W613 H614 E615E607-M611 WeakPolarHBondContact O-CG 3.46Å; E607-M611 PolarHBondContact O-N 2.79Å; E607-M611 VanDerWaalsContact O-N 3.16Å; K608-M611 PolarHBondContact O-N 3.07Å; M611-W613 PolarHBondContact O-N 3.28Å; M611-W613 VanDerWaalsContact O-N 3.13Å; M611-H614 PolarHBondContact O-N 3.06Å; M611-H614 VanDerWaalsContact O-N 3.1Å; M611-E615 PolarHBondContact O-N 3.29Å; M611-E615 VanDerWaalsContact O-N 3.16Å
612D75.3Confident63.3Low61 Ų61111.5 Ų111.533%0.32662%0.622SS.*Hα-helixtrans-57.8-29.5178-60.7-19.1000111.8K608 S616K608-D612 WeakPolarHBondContact CE-OD1 3.48Å; K608-D612 IonicContact NZ-OD1 2.77Å; K608-D612 PolarHBondContact NZ-OD1 3.45Å; K608-D612 IonicContact NZ-OD2 3.71Å; K608-D612 WeakPolarHBondContact O-CB 3.37Å; K608-D612 PolarHBondContact O-N 3.42Å; D612-S616 VanDerWaalsContact O-CB 3.25Å; D612-S616 WeakPolarHBondContact O-CB 3.23Å; D612-S616 PolarHBondContact O-N 2.9Å; D612-S616 PolarHBondContact O-OG 2.77Å
613W73.6Confident63Low185 Ų185111.8 Ų111.870%0.70161%0.614SS**Hα-helixtrans-72.8-40.8176.3-172.7-79.9000113.6L609 M610 M611 A617L609-W613 VanDerWaalsContact O-CB 3.3Å; L609-W613 WeakPolarHBondContact O-CB 3.4Å; L609-W613 PolarHBondContact O-N 2.93Å; M610-W613 PolarHBondContact O-N 3Å; M611-W613 PolarHBondContact O-N 3.28Å; M611-W613 VanDerWaalsContact O-N 3.13Å; W613-A617 PolarHBondContact O-N 3.05Å; W613-A617 VanDerWaalsContact O-N 3.16Å
614H64.6Low61.9Low128 Ų128118.3 Ų118.359%0.59363%0.632SS**Hα-helixtrans-68.1-37.3177.3-73.7-67.9000111.8M610 M611 A617 S618M610-H614 PolarHBondContact O-CD2 2.99Å; M610-H614 PolarHBondContact O-N 3.2Å; M611-H614 PolarHBondContact O-N 3.06Å; M611-H614 VanDerWaalsContact O-N 3.1Å; H614-A617 PolarHBondContact O-N 3.08Å; H614-S618 PolarHBondContact O-OG 3.5Å
615E59Low61.1Low154 Ų154118.9 Ų118.972%0.7264%0.636SS**Hα-helixtrans-71.5-40177.1-158.2156.7-151.400111.3M611 A617 S618M611-E615 PolarHBondContact O-N 3.29Å; M611-E615 VanDerWaalsContact O-N 3.16Å; E615-A617 PolarHBondContact O-N 2.87Å; E615-S618 PolarHBondContact O-N 3.07Å
616S56.5Low59.3Low103 Ų103123 Ų12372%0.7264%0.643SS**Hα-helixtrans-65.9-20.6174.2-610000114.5D612 S618D612-S616 VanDerWaalsContact O-CB 3.25Å; D612-S616 WeakPolarHBondContact O-CB 3.23Å; D612-S616 PolarHBondContact O-N 2.9Å; D612-S616 PolarHBondContact O-OG 2.77Å; S616-S618 VanDerWaalsContact C-N 3.34Å
617A54.4Low57.6Low73 Ų73124.9 Ų124.960%0.60365%0.654SS**THydrogen-bonded Turntrans-79.6-15.9177.500000113.3W613 H614 E615 G619W613-A617 PolarHBondContact O-N 3.05Å; W613-A617 VanDerWaalsContact O-N 3.16Å; H614-A617 PolarHBondContact O-N 3.08Å; E615-A617 PolarHBondContact O-N 2.87Å; A617-G619 VanDerWaalsContact C-N 3.26Å; A617-G619 PolarHBondContact O-N 3.15Å; A617-G619 VanDerWaalsContact O-N 3.13Å
618S54Low56.1Low103 Ų103126.9 Ų126.972%0.7267%0.671SS**  trans-89.743.7-173.4-59.80000113.2H614 E615 S616H614-S618 PolarHBondContact O-OG 3.5Å; E615-S618 PolarHBondContact O-N 3.07Å; S616-S618 VanDerWaalsContact C-N 3.34Å
619G49.5Very low54Low52 Ų52128.5 Ų128.554%0.53668%0.684SS.*  trans-85.4153.7172.500000112.6A617 S621A617-G619 VanDerWaalsContact C-N 3.26Å; A617-G619 PolarHBondContact O-N 3.15Å; A617-G619 VanDerWaalsContact O-N 3.13Å; G619-S621 PolarHBondContact O-N 3.06Å
620P43.7Very low51.9Low112 Ų112131 Ų13173%0.72769%0.691SS**  trans-58.6132.4-178.4-25.535000113.7Y622P620-Y622 HydrophobicContact CB-CD2 4.48Å; P620-Y622 HydrophobicContact CB-CE2 4.15Å; P620-Y622 WeakPolarHBondContact O-CD2 3.01Å; P620-Y622 PolarHBondContact O-N 3.31Å
621S44.8Very low49.6Very low123 Ų123134.7 Ų134.786%0.8671%0.707SS**  trans-76.288.3-176.147.70000112.8G619 N623G619-S621 PolarHBondContact O-N 3.06Å; S621-N623 PolarHBondContact O-N 2.91Å
622Y42.8Very low47.3Very low215 Ų215132.6 Ų132.684%0.84372%0.716SS**  trans-73.1111.6174.2-82.1-83.9000112.3P620P620-Y622 HydrophobicContact CB-CD2 4.48Å; P620-Y622 HydrophobicContact CB-CE2 4.15Å; P620-Y622 WeakPolarHBondContact O-CD2 3.01Å; P620-Y622 PolarHBondContact O-N 3.31Å
623N38.4Very low45.3Very low132 Ų132133.8 Ų133.871%0.70674%0.743SS**  trans-73.5120.8176.9-17917.2000111.3S621 S625S621-N623 PolarHBondContact O-N 2.91Å; N623-S625 VanDerWaalsContact C-N 3.28Å; N623-S625 PolarHBondContact O-N 3.34Å; N623-S625 VanDerWaalsContact O-N 3.11Å
624W33.6Very low43.5Very low239 Ų239128 Ų12891%0.90574%0.741SS**  trans-87.952.6-177.663.3-80.9000112.6
625S43.7Very low42Very low76 Ų76129.2 Ų129.253%0.53176%0.757SS.*  trans-15364.5-176.2-72.40000114.3N623N623-S625 VanDerWaalsContact C-N 3.28Å; N623-S625 PolarHBondContact O-N 3.34Å; N623-S625 VanDerWaalsContact O-N 3.11Å
626Q35.2Very low41Very low196 Ų196127.1 Ų127.192%0.91676%0.76SS**  trans-170153.8148.1-107.9158.42000112
627D39.5Very low40.3Very low156 Ų156130.9 Ų130.983%0.83476%0.763SS**  trans-87.5-178.8178-64-81000113
628V41.9Very low39.9Very low128 Ų128133.9 Ų133.978%0.77678%0.776SS**  trans94105.3159-174.30000119.2
629L38Very low39Very low142 Ų142132.4 Ų132.474%0.74378%0.777SS**  trans48.8121.2141.9-84.168.5000124.5
630F39.2Very low38.4Very low153 Ų153142 Ų14267%0.67180%0.797SS**  51.5153.7127.1-73.7-53.5000125.7
631Q34.3Very low38Very low180 Ų180140.4 Ų140.484%0.84180%0.801SS**  trans62.9146.6173.6-88.681.144.900117.2
632G31.2Very low37.6Very low73 Ų73143.6 Ų143.675%0.75379%0.794SS**  cis169.2141.9-10.100000113.9
633G32.5Very low37.4Very low87 Ų87143.1 Ų143.190%0.89779%0.791SS**  trans85.6159.2174.900000115.6
634G36Very low37.4Very low64 Ų64145.7 Ų145.766%0.6680%0.796SS**  cis161.6140.1-9.200000114
635T34.1Very low37.6Very low152 Ų152143.3 Ų143.393%0.93379%0.786SS**  trans69.4159.8179.182.90000115
636S37Very low36.8Very low111 Ų111144.5 Ų144.578%0.77679%0.791SS**  cis-139.2168.96.664.70000112.9
637K42.7Very low36.4Very low182 Ų182141.5 Ų141.579%0.79178%0.777SS**  trans-109.3165.8171.4-64178.8180175.90109.3
638P45.8Very low36Very low135 Ų135140.1 Ų140.188%0.87777%0.769SS**  -141.2170105.838.8-28.1000114.6
639G36.2Very low35.3Very low72 Ų72141.4 Ų141.474%0.74277%0.766SS**  trans-167.9136.5169.800000114.4
640R35.6Very low34.9Very low254 Ų254141.3 Ų141.396%0.95877%0.766SS**  trans-150.5151.9161.9-61.7-170.7-175.9-96.23.8104.7
641G35.9Very low34.5Very low78 Ų78141.9 Ų141.980%0.80477%0.77SS**  cis107.214028.100000108.8
642R35Very low34.3Very low191 Ų191140.9 Ų140.972%0.72176%0.763SS**  cis164.7127.22.2157.3-177.4-179.6-109.515.9106.4
643R40.5Very low34.4Very low204 Ų204145.8 Ų145.877%0.7777%0.766SS**  trans71.3162.7174.1-58.8165.5168.7-165.5-7.2116.2
644K37Very low34.3Very low186 Ų186145.4 Ų145.481%0.80976%0.763SS**  cis-136.4-136.1-22.7-132.2-83.3174.7176.70107.4
645R37.5Very low34.1Very low189 Ų189146 Ų14671%0.71377%0.768SS**  cis-139.9154.30.6175.4176177-170.10.5109.6E647 L648R645-E647 VanDerWaalsContact CZ-O 3.29Å; R645-E647 PolarHBondContact NE-O 2.93Å; R645-E647 PolarHBondContact NH2-O 3.15Å; R645-L648 VanDerWaalsContact NH2-N 3.14Å; R645-L648 PolarHBondContact NH2-O 3.1Å
646T28.4Very low34.1Very low102 Ų102144.6 Ų144.663%0.62677%0.765SS**  trans-145.1149.3158.7-32.70000108.6
647E26.3Very low33.8Very low133 Ų133144.4 Ų144.462%0.62177%0.77SS**  trans61.7140.8-173-48.7-48.6142.700115.5R645R645-E647 VanDerWaalsContact CZ-O 3.29Å; R645-E647 PolarHBondContact NE-O 2.93Å; R645-E647 PolarHBondContact NH2-O 3.15Å
648L30.8Very low33.3Very low127 Ų127143.5 Ų143.567%0.66577%0.773SS**  cis-156.9160.84.7-134.3170.2000109R645R645-L648 VanDerWaalsContact NH2-N 3.14Å; R645-L648 PolarHBondContact NH2-O 3.1Å
649H28.1Very low32.5Very low155 Ų155144.7 Ų144.772%0.71877%0.767SS**  trans81.9115.6150-148.5-106.2000122.4
650L29.7Very low32.4Very low140 Ų140146 Ų14673%0.73377%0.765SS**  trans48.9130.9142.1-145.667.5000119.4
651E29.3Very low32.2Very low165 Ų165140 Ų14077%0.77175%0.752SS**  cis-154155.440.8-156-165.1144.200114
652K31.7Very low32.2Very low158 Ų158140.9 Ų140.969%0.68775%0.745SS**  trans26.1116.2152.4-168.1169.1176.7-176.70123.4
653E32.4Very low32.7Very low176 Ų176138.3 Ų138.382%0.82275%0.753SS**  trans80.2122137.4-161.4161-159.500121
654G30.9Very low32.2Very low80 Ų80134 Ų13483%0.82576%0.755SS**  trans134.5113.3173.600000114.4
655G32Very low31.7Very low75 Ų75130.7 Ų130.777%0.77376%0.755SS**  trans-103.8-175.3177.200000113.8
656S33.4Very low32.1Very low123 Ų123128.1 Ų128.186%0.8676%0.762SS**  cis-177.8131.2-9420000110.6
657A30.9Very low32.1Very low108 Ų108128.7 Ų128.789%0.89377%0.771SS**  trans-164146.5160.100000114.1
658L32.3Very low33Very low163 Ų163127.9 Ų127.985%0.85378%0.777SS**  trans-76.3169.1-156.3-61.5165.4000119.3
659H28.3Very low33.4Very low160 Ų160128.6 Ų128.674%0.74179%0.787SS**  trans-162.5167.4167.4-128.5-96.4000108.3D661H659-D661 IonicContact CE1-OD2 3.69Å
660S34.2Very low34.4Very low99 Ų99126.4 Ų126.469%0.69279%0.787SS**  cis-152.5165.715.8-64.80000113.9
661D30.6Very low34.5Very low129 Ų129121.3 Ų121.369%0.6977%0.765SS**  trans-21.5170.4136.7-64.5-79.3000119.3H659H659-D661 IonicContact CE1-OD2 3.69Å
662S36Very low35.1Very low96 Ų96117.6 Ų117.667%0.67176%0.755SS**  cis-176177.7-15.7-95.10000107.5
663P47.1Very low35.1Very low136 Ų136112.1 Ų112.188%0.88374%0.743SS**  trans-144.3175.2139.835.2-18.1000116.4
664S28.4Very low36Very low115 Ų115107.6 Ų107.680%0.80473%0.729SS**  trans-131.7178.4-159.6590000116.1
665S28.2Very low36.1Very low116 Ų116112.8 Ų112.881%0.81173%0.729SS**  trans-158.6-175.9171.2-710000110.8
666P44.6Very low36.4Very low134 Ų134119 Ų11987%0.8773%0.729SS**  -118-169.4-98.832.7-11.1000115.6
667S29.3Very low36.3Very low114 Ų114117 Ų11780%0.79773%0.728SS**  trans-105.2164.2-161.951.80000117.7
668P45.8Very low36.4Very low117 Ų117115.5 Ų115.576%0.7672%0.723SS**  trans-112.7173.8177.542-34.5000115.5
669T38.8Very low36.6Very low141 Ų141113.1 Ų113.187%0.86573%0.726SS**  trans-159.9150160.2-5.90000109.8
670P48.8Very low36.9Very low110 Ų110109.7 Ų109.771%0.71473%0.734SS**  trans-95.4-165.9-166.341.5-37000113.1
671A32Very low36.8Very low33 Ų33108.1 Ų108.127%0.27373%0.733SS.*  cis-156.8-154.515.400000111.2L543 I545L543-A671 HydrophobicContact CB-CB 4.33Å; L543-A671 HydrophobicContact CD1-CB 3.93Å; L543-A671 HydrophobicContact CD2-CB 3.72Å; L543-A671 HydrophobicContact CG-CB 4.19Å; I545-A671 WeakPolarHBondContact CD1-O 3.46Å; I545-A671 WeakPolarHBondContact CG1-O 3.05Å
672P41.8Very low37.1Very low87 Ų87113.4 Ų113.457%0.56574%0.744SS**  trans-114.5153.6-162.141-36000120.3I542 L543I542-P672 CarbonylContact C-O 3.49Å; I542-P672 WeakPolarHBondContact CA-O 3.3Å; I542-P672 WeakPolarHBondContact CG2-O 3.21Å; L543-P672 PolarHBondContact N-O 3.35Å
673G30.7Very low37.1Very low43 Ų43111.2 Ų111.244%0.44374%0.736SS.*  trans117.3178.6141.900000118.6I542I542-G673 WeakPolarHBondContact CG2-O 3.43Å
674P51.6Low36.7Very low80 Ų80113.8 Ų113.852%0.51973%0.728SS.*  cis-139.1166.6-13.444.5-28.3000116.1I542I542-P674 HydrophobicContact CD1-CB 4.32Å; I542-P674 HydrophobicContact CG2-CB 3.94Å; I542-P674 VanDerWaalsContact CG2-CD 3.4Å; I542-P674 HydrophobicContact CG2-CG 3.62Å
675K34.3Very low37.1Very low190 Ų190111.8 Ų111.883%0.82673%0.726SS**  trans66.7144.6164-63167.2-174.8171.80116.2
676R36.4Very low37.5Very low206 Ų206110.2 Ų110.278%0.77772%0.715SS**  cis-148.5163.4-1.1-123.3172.6-178-171.1-0.5108.8
677G31.3Very low37.2Very low81 Ų81115.2 Ų115.284%0.83572%0.716SS**  trans-79-172.7-17800000115.2
678G33.9Very low37.6Very low76 Ų76112.6 Ų112.678%0.78471%0.707SS**  cis172.5-159.9100000113.1
679A36Very low37.1Very low112 Ų112109.9 Ų109.993%0.92670%0.7SS**  trans76.1115.7173.900000119.6
680G35.4Very low37.2Very low88 Ų88113.7 Ų113.791%0.90770%0.699SS**  trans78.4144.7157.800000117.9
681G32.6Very low36.4Very low66 Ų66112.2 Ų112.268%0.6870%0.704SS**  cis157.1115.1-14.400000114.1
682R37.2Very low36.6Very low241 Ų241114.1 Ų114.191%0.90973%0.727SS**  trans69.1156.7-170.1-40.9175.7-149.1-85.11.4112.5
683G34.6Very low36.2Very low49 Ų49118.9 Ų118.951%0.50575%0.747SS.*  cis164.7122-17.100000115.5
684R40Very low36.4Very low191 Ų191122.1 Ų122.172%0.72176%0.763SS**  trans66.5151.4172.2-66.1-175.8167.4-162.8-2.8118.4L317L317-R684 PolarHBondContact O-NH1 2.84Å
685G35.8Very low35.1Very low73 Ų73123.9 Ų123.975%0.75378%0.777SS**  130.947.7123.600000122.2R687G685-R687 PolarHBondContact O-N 2.76Å
686S36.4Very low34.9Very low83 Ų83120 Ų12058%0.5877%0.772SS**  trans-54.6129.4174.9-46.10000116.5L308L308-S686 WeakPolarHBondContact CD2-OG 3.25Å
687R39.3Very low34.5Very low238 Ų238117 Ų11790%0.89877%0.767SS**  trans175.9138.8146.4-91.1145.1-157.4-136.77.6107.3G685G685-R687 PolarHBondContact O-N 2.76Å
688G37.7Very low34.4Very low59 Ų59121.9 Ų121.961%0.60876%0.76SS**  cis85.7115.328.200000110.9
689G34.5Very low34.2Very low60 Ų60125.4 Ų125.462%0.61976%0.756SS**  cis148.4142.3-4.200000112.2
690R41.4Very low34Very low221 Ų221131.3 Ų131.383%0.83475%0.754SS**  trans79.8149.5-176.3-48.7160.6-176.5-103.20.3114.8
691G32.3Very low34.8Very low79 Ų79132 Ų13281%0.81474%0.743SS**  cis153.6158.5-10.900000114.7
692G35.4Very low34.7Very low74 Ų74135.7 Ų135.776%0.76375%0.752SS**  trans91.4157.417800000114
693L33.9Very low34.4Very low187 Ų187127.8 Ų127.898%0.97975%0.746SS**  cis-136.7179.27.5-75.2173000112.4
694S33.8Very low34.4Very low111 Ų111131.3 Ų131.378%0.77676%0.763SS**  trans-120.3156.5178.8-172.70000110.9
695S25.4Very low34.2Very low117 Ų117132.7 Ų132.782%0.81877%0.774SS**  trans-130.8169.5162.562.50000110.5
696C30.6Very low34Very low107 Ų107133.1 Ų133.172%0.72378%0.779SS**  trans-137.9155.3-155.7-580000115.1
697Q27.6Very low33.8Very low145 Ų145141.6 Ų141.668%0.67880%0.798SS**  trans-134169.3142.2-61.1-62.2-13.900107.8
698R28.8Very low33.5Very low183 Ų183134.2 Ų134.269%0.69180%0.796SS**  cis71.414827.6-91.6-163.4-22.1143.5-2.8113.6
699E28.7Very low33.4Very low149 Ų149141 Ų14170%0.69681%0.809SS**  cis-124-161.3-0.1-72-14912500114
700R31.9Very low33.3Very low236 Ų236146.5 Ų146.589%0.89182%0.82SS**  trans-166.2-179.4-167.3-102.2-168.6-171129.7-1.5107.3
701P52.3Low32.7Very low103 Ų103140 Ų14067%0.66981%0.814SS**  cis-133.2-170-37.739.5-23.3000111.2
702T30.7Very low32.7Very low143 Ų143141.6 Ų141.688%0.87781%0.812SS**  176.6147.6129.425.80000113
703G31Very low32.5Very low76 Ų76144 Ų14478%0.78481%0.812SS**  trans64.3159.4164.500000118.4
704S35.4Very low32.4Very low123 Ų123140.8 Ų140.886%0.8681%0.805SS**  cis-156.2168.9-28.9480000109.1
705K34.6Very low32.1Very low219 Ų219139.2 Ų139.295%0.95281%0.806SS**  trans-68.1143.6-175.1-60.9171.7-176.4169.80112.5
706G32.3Very low32.4Very low82 Ų82138.5 Ų138.585%0.84581%0.808SS**  trans-161.5148170.200000112.7
707R32.9Very low32.3Very low262 Ų262137.1 Ų137.199%0.98981%0.812SS**  trans-137.7120.2-174.9-174.1-169.2-167.8-152.58.5108.8
708G31.6Very low32.5Very low82 Ų82138.4 Ų138.485%0.84582%0.822SS**  trans-154.5168.9-173.100000114.5
709K35.7Very low32.6Very low202 Ų202137.4 Ų137.488%0.87883%0.828SS**  trans-119.4143.6-174.8-78.1-176.4175.4179.60111.9
710M32.3Very low32.9Very low176 Ų176135.8 Ų135.887%0.86783%0.827SS**  trans61.2120.5130.2-168163.5167.100121.9
711A30Very low33Very low85 Ų85129.7 Ų129.770%0.70282%0.821SS**  trans82.4147.4142.700000123.1
712S32.6Very low32.2Very low111 Ų111129.9 Ų129.978%0.77683%0.832SS**  trans87.7121.3145.7-69.90000123.9
713V30.9Very low32Very low125 Ų125127.2 Ų127.276%0.75883%0.833SS**  77.7104127.8179.60000121.3
714S30.7Very low31.8Very low119 Ų119127.1 Ų127.183%0.83283%0.832SS**  52.2136.2125.3-48.40000125.4
715G28.2Very low32.5Very low78 Ų78126.8 Ų126.880%0.80483%0.826SS**  trans105.3167.3152.800000116.2
716A31.7Very low32.4Very low103 Ų103125.5 Ų125.585%0.85182%0.824SS**  cis-178.1145.2-39.400000109.2
717G28.7Very low32.4Very low78 Ų78124.6 Ų124.680%0.80481%0.814SS**  trans83.1143.618000000114.3
718L32.6Very low32.4Very low172 Ų172118.6 Ų118.690%0.90181%0.812SS**  cis101.51387-154.177.9000116.5
719M31Very low32.4Very low162 Ų162117.7 Ų117.780%0.79880%0.804SS**  trans73.9161.4178.1-73.8-169.168.100118.5
720V34.6Very low32.4Very low114 Ų114115.2 Ų115.269%0.69180%0.799SS**  -169.8149.8-50.6123.40000110.8
721S34.2Very low32.5Very low108 Ų108114.4 Ų114.476%0.75579%0.791SS**  trans41115.7161.6-630000124.3
722A34.5Very low32.7Very low108 Ų108116.6 Ų116.689%0.89379%0.786SS**  48.8130.6120.300000123.7
723G27.3Very low33Very low87 Ų87119.1 Ų119.190%0.89779%0.786SS**  trans166.2141.6161.500000113.3
724G26.9Very low33.3Very low74 Ų74115.7 Ų115.776%0.76378%0.776SS**  trans-139.2-159.3169.700000109.7
725P50.3Low33.9Very low116 Ų116117.6 Ų117.675%0.75378%0.776SS**  cis-132.7-140.4337.3-14.1000112.7
726E32.1Very low34.4Very low192 Ų192120 Ų12090%0.89777%0.771SS**  trans74.8144.1171.8-54.6179.8-140.800117.6
727G31.1Very low34.6Very low63 Ų63124.2 Ų124.265%0.64977%0.766SS**  cis174.8140.1-1100000114.1
728S34Very low34.9Very low135 Ų135129.9 Ų129.994%0.94477%0.765SS**  trans64.4151.5174.874.60000118.6
729G31.6Very low35.1Very low64 Ų64127.2 Ų127.266%0.6676%0.76SS**  cis173.7172-8.600000113.7
730L34.6Very low35.2Very low150 Ų150122.8 Ų122.879%0.78576%0.756SS**  trans72.6149.8171.2-51.4173000116.9
731F36Very low35Very low159 Ų159124.5 Ų124.570%0.69776%0.761SS**  cis-144170.27.3-106.7-56.3000112.2
732Q33.7Very low35Very low130 Ų130124.7 Ų124.761%0.60776%0.763SS**  trans16.8144.2155.2-95.364.982.900120.2
733E38.5Very low35.2Very low164 Ų164124.5 Ų124.577%0.76675%0.754SS**  cis-170-178.8-14.9-139.794.2-71.100104.5
734G38Very low35.5Very low54 Ų54125.6 Ų125.656%0.55775%0.749SS**  cis160.8143.4-3.100000111
735L42.8Very low35.8Very low159 Ų159130.3 Ų130.383%0.83276%0.756SS**  trans64.3139176.7-42.4179.6000116.2
736D37.7Very low35.2Very low127 Ų127130 Ų13068%0.67976%0.756SS**  cis-165.5176.1-14.3-113.3-13.1000111.7
737Y35.9Very low36.3Very low193 Ų193125.8 Ų125.876%0.75775%0.745SS**  trans79.996166.2-77.9-80.8000121.7
738Y36.5Very low36.4Very low197 Ų197130.8 Ų130.877%0.77376%0.756SS**  trans61.1118.6142.8-81.4-111.4000119.2
739S35.6Very low36.4Very low115 Ų115127.9 Ų127.980%0.80474%0.74SS**  cis68.9130.846.8-51.40000114
740G33.8Very low36.4Very low69 Ų69131.3 Ų131.371%0.71175%0.749SS**  cis-154.2146.2-500000109.6
741D30.2Very low37.1Very low151 Ų151129.4 Ų129.481%0.80775%0.745SS**  73.7132.591.3-168.920.6000115.5S743D741-S743 PolarHBondContact OD1-N 3.02Å; D741-S743 VanDerWaalsContact OD1-N 3.15Å
742S34.4Very low36.7Very low112 Ų112128.5 Ų128.578%0.78375%0.748SS**  trans-159.275.3162.9-750000111.5
743S38.8Very low37.3Very low103 Ų103127.6 Ų127.672%0.7275%0.753SS**  60.1129.6128.4700000122.1D741D741-S743 PolarHBondContact OD1-N 3.02Å; D741-S743 VanDerWaalsContact OD1-N 3.15Å
744S32.8Very low37Very low111 Ų111121.2 Ų121.278%0.77673%0.728SS**  trans-163.1123.7144.362.30000113
745L34.3Very low37.4Very low173 Ų173122.6 Ų122.691%0.90673%0.728SS**  trans-150.5156.1164.6-83.2-173.2000113.4
746S36.8Very low37.6Very low110 Ų110118.5 Ų118.577%0.76971%0.71SS**  trans-160.4-170.1170.1-59.80000105.4
747P55Low37.3Very low103 Ų103116.8 Ų116.867%0.66971%0.709SS**  cis-143.1-167.3-2.545.8-27.1000115.6
748L33.3Very low36.9Very low167 Ų167113.6 Ų113.687%0.87472%0.715SS**  trans64.4168.2158.7-89.763.5000119.1
749A33.2Very low36.7Very low74 Ų74114.1 Ų114.161%0.61272%0.717SS**  cis-176.4170-44.700000113.1
750T32.8Very low36.4Very low137 Ų137115 Ų11584%0.8471%0.711SS**  trans94.9178.515881.40000119.4
751P48.8Very low36.1Very low109 Ų109118.6 Ų118.671%0.70871%0.71SS**  -145.5175.9-108.442.4-19.7000122
752N27.4Very low35.9Very low141 Ų141117.3 Ų117.375%0.75470%0.703SS**  trans69.2170.6157.4-104-27.3000119.7
753P47.2Very low35.6Very low110 Ų110118.6 Ų118.671%0.71471%0.706SS**  cis-129.7-168.3-19.740.5-21.6000114.2
754A32.8Very low35.3Very low30 Ų30118.4 Ų118.425%0.24870%0.704CS.*  trans-166.5130.4-17900000117.9K1009 P1010 P1011A754-K1009 WeakPolarHBondContact O-CD 3.23Å; A754-K1009 VanDerWaalsContact O-CG 3.26Å; A754-K1009 WeakPolarHBondContact O-CG 3.1Å; A754-P1010 HydrophobicContact CB-CB 4.14Å; A754-P1010 WeakPolarHBondContact O-CA 2.8Å; A754-P1010 WeakPolarHBondContact O-CB 3.39Å; A754-P1011 HydrophobicContact CB-CG 4.47Å
755P45.9Very low35.4Very low84 Ų84121.5 Ų121.555%0.54571%0.706SS.*  trans-141.9165.8172.542.3-26.2000118.6P1011P755-P1011 VanDerWaalsContact O-CD 3.29Å; P755-P1011 WeakPolarHBondContact O-CD 3.27Å
756P46.9Very low35.3Very low72 Ų72123.4 Ų123.447%0.46870%0.703SS.*  cis-147.1133-3840.4-19.7000120K1009P756-K1009 VanDerWaalsContact CA-C 3.41Å; P756-K1009 WeakPolarHBondContact CA-O 3.22Å; P756-K1009 WeakPolarHBondContact CB-O 3.41Å
757S31.2Very low35.5Very low92 Ų92123.3 Ų123.364%0.64370%0.699SS**  trans50.5130.8140.468.50000127.1
758S28.3Very low34.8Very low126 Ų126122.5 Ų122.588%0.88170%0.696SS**  trans-178.5176.3148.353.10000111.5
759Y30.6Very low34.8Very low208 Ų208119.9 Ų119.982%0.81669%0.689SS**  -165.5154.8-54.9-164.6-121000108.5
760L30.2Very low34.7Very low132 Ų132126 Ų12669%0.69170%0.698SS**  trans62.6174.8177.9-61.5163.4000117
761Q28Very low35Very low146 Ų146123.1 Ų123.168%0.68268%0.683SS**  -160.6155.1-58.4-156.4-178.4-60.500108.6
762D24.8Very low34Very low123 Ų123123.2 Ų123.266%0.65869%0.693SS**  trans40.7114163.9-58.2-25.8000120.7
763T28.4Very low34.3Very low140 Ų140123.3 Ų123.386%0.85969%0.689SS**  -171165.211216.30000113
764C33Very low33.6Very low98 Ų98123.9 Ų123.966%0.66269%0.692SS**  trans65103160.5-68.20000120.4
765E34.7Very low33.5Very low177 Ų177128.3 Ų128.383%0.82772%0.722SS**  59.394114.3-63.8159.714700119
766Y33.1Very low33Very low213 Ų213130.4 Ų130.484%0.83573%0.733SS**  trans-68149.9137.4-123.7-119.8000108.6
767P38.9Very low32.5Very low107 Ų107132.4 Ų132.470%0.69575%0.746SS**  cis-127.4-17935.541.9-28.9000115.9P769P767-P769 VanDerWaalsContact O-CD 3.24Å; P767-P769 WeakPolarHBondContact O-CD 3.47Å
768S41.4Very low32.5Very low87 Ų87133.1 Ų133.161%0.60875%0.751SS**  trans-72.9129.6172.3176.30000113.1
769P33.8Very low32.8Very low111 Ų111131.2 Ų131.272%0.72174%0.738SS**  trans-139.3157.414440.2-29.1000114P767P767-P769 VanDerWaalsContact O-CD 3.24Å; P767-P769 WeakPolarHBondContact O-CD 3.47Å
770Y30.5Very low33Very low203 Ų203129.3 Ų129.380%0.79674%0.736SS**  cis-160.3178.2-31.4-129.8-80.6000107.4
771S38.4Very low33.4Very low77 Ų77130 Ų13054%0.53874%0.736SS.*  trans-45.3145.1174.8-48.70000115.4H773S771-H773 PolarHBondContact O-N 2.8Å
772A27.8Very low33.8Very low110 Ų110132.8 Ų132.891%0.90974%0.74SS**  trans-70.182.215300000110.3
773H35.1Very low34.1Very low144 Ų144136.2 Ų136.267%0.66775%0.745SS**PPolyproline II helixtrans-74.8153.1153.4-81.2-83.6000109.4S771 S775S771-H773 PolarHBondContact O-N 2.8Å; H773-S775 PolarHBondContact O-N 3.11Å
774P32.1Very low35Very low121 Ų121133.1 Ų133.179%0.78673%0.727SS**PPolyproline II helixtrans-63.9121.8164.328.4-33.1000109.1T776P774-T776 PolarHBondContact O-N 3Å
775S29.5Very low35.5Very low124 Ų124132.6 Ų132.687%0.86773%0.73SS**PPolyproline II helixtrans-74.6117.4180-51.50000111.5H773H773-S775 PolarHBondContact O-N 3.11Å
776T37.2Very low35.4Very low128 Ų128132.5 Ų132.579%0.78573%0.734SS**PPolyproline II helixtrans-81.1151.8153.547.90000109.8P774P774-T776 PolarHBondContact O-N 3Å
777P35.8Very low35.5Very low113 Ų113133 Ų13373%0.73474%0.737SS**PPolyproline II helixtrans-81.8162-174.635.7-38.4000114
778S30.3Very low35.8Very low108 Ų108134.1 Ų134.176%0.75574%0.743SS**  trans25.6143.8145.758.90000121.6
779S35.9Very low35.2Very low86 Ų86132.9 Ų132.960%0.60174%0.744SS**  cis-172.8175.20.946.10000111.5
780E34.6Very low35.1Very low167 Ų167136.9 Ų136.978%0.7875%0.754SS**  trans62.2162.1162.5-77.1121.4173.200117.9
781E38.1Very low35.2Very low146 Ų146130.2 Ų130.268%0.68274%0.736SS**  cis-141.3-159.47.4-146.5169.5-143.400112.3H407H407-E781 IonicContact CE1-OE2 3.53Å; H407-E781 PolarHBondContact CE1-OE2 2.97Å; H407-E781 IonicContact ND1-OE2 2.58Å; H407-E781 PolarHBondContact ND1-OE2 3.48Å; H407-E781 VanDerWaalsContact ND1-OE2 3.1Å
782R36.3Very low34.9Very low205 Ų205131.6 Ų131.677%0.77475%0.746SS**  trans-140.5129.8-159.7-149.3-169-67.8113.6-3.8115.8
783Y31.7Very low35.1Very low195 Ų195131.2 Ų131.277%0.76574%0.737SS**  trans63.4167.2166.7-74.2-63.9000118.5
784P47.6Very low35Very low75 Ų75129 Ų12949%0.48774%0.738SS.*  cis-126.8-164-22.924.8-0.6000112.3S410 Y411S410-P784 WeakPolarHBondContact O-CD 3.48Å; Y411-P784 WeakPolarHBondContact O-CG 3.25Å
785A43.3Very low35Very low87 Ų87130.7 Ų130.772%0.71974%0.739SS**  trans-114.2159-177.900000114.2
786L32.1Very low35.4Very low175 Ų175129.6 Ų129.692%0.91673%0.731SS**  trans-135.7138.9165.2-71.7175.7000111
787Y35.8Very low35.8Very low225 Ų225130 Ų13088%0.88274%0.736SS**  trans-87.4164.8175.2-91.2-81.2000110.6
788P43.7Very low35.5Very low129 Ų129129.9 Ų129.984%0.83874%0.738SS**  cis-146.9-173.648.442.3-21.7000116.7
789G29.8Very low35.7Very low61 Ų61132.1 Ų132.163%0.62975%0.747SS**  trans1569616000000118.5
790E31.2Very low35.4Very low196 Ų196133.2 Ų133.292%0.91675%0.754SS**  trans52.5119.6132-64.4169.2-124.300122.8
791S32.8Very low35.4Very low62 Ų62129.9 Ų129.943%0.43475%0.75SS.*  trans-70.5155.3156.3-59.80000110.5
792S31.8Very low35.8Very low106 Ų106128 Ų12874%0.74175%0.75SS**  176.8145.276.4-69.40000114.9
793S31.6Very low36.1Very low103 Ų103124.2 Ų124.272%0.7275%0.752SS**  49.1110.4128.1-144.50000120.2
794S33.5Very low36.3Very low97 Ų97125.7 Ų125.768%0.67876%0.758SS**  96.2170.998.870.20000115.4
795L33.5Very low36.7Very low157 Ų157127.5 Ų127.582%0.82277%0.77SS**  cis-136.8164.47.9-87.8172.6000111.5
796S37.7Very low37Very low100 Ų100129.8 Ų129.870%0.69978%0.777SS**  trans-132.6135.7147.8-69.50000109.1
797P44.2Very low37.3Very low136 Ų136130.9 Ų130.988%0.88378%0.775SS**  trans-69.3148179.929.1-34.5000111.7
798S30.9Very low37.7Very low111 Ų111126 Ų12678%0.77677%0.77SS**  trans-130.1154.3-170.5-630000112.1
799V33.1Very low37.6Very low155 Ų155126.3 Ų126.394%0.93977%0.77SS**  trans-158.9151137.6-101.80000112.6
800S30.5Very low38.2Very low109 Ų109128.8 Ų128.876%0.76278%0.775SS**  trans-78.2173.8-169.91020000113.6
801S34.8Very low38.7Very low98 Ų98125 Ų12569%0.68577%0.768SS**  cis180-163.6-9.6530000106.6
802P45.3Very low38.9Very low105 Ų105128.3 Ų128.368%0.68279%0.787SS**  cis-123.7177.5-17.241-25.5000113.5
803P42.5Very low39Very low126 Ų126128.8 Ų128.882%0.81879%0.786SS**PPolyproline II helixtrans-93.4156.2-174.235.7-35.5000116.1
804Y37.2Very low39.1Very low226 Ų226131.7 Ų131.789%0.88679%0.788SS**PPolyproline II helixtrans-89.6151.8175-74-99.3000113.3
805P54.7Low39.4Very low114 Ų114131.6 Ų131.674%0.7479%0.785SS**PPolyproline II helixtrans-81.9154172.433.6-35000113.7
806P50Low39.2Very low134 Ų134133.1 Ų133.187%0.8778%0.782SS**PPolyproline II helixtrans-86.3173.9-176.135.2-36.8000115.1
807K38Very low38.9Very low199 Ų199135.9 Ų135.987%0.86578%0.783SS**  trans-104.9134-166.7-172.6176.9-174.9174.90112.2
808P45Very low38.3Very low122 Ų122137.6 Ų137.679%0.79278%0.784SS**  trans-83.6155.6-178.232.8-35.4000114.3
809T41.4Very low38.3Very low136 Ų136139.5 Ų139.583%0.83478%0.784SS**  trans-118.1165.4175.4150000111.4
810P42.3Very low38.8Very low112 Ų112137.6 Ų137.673%0.72778%0.775SS**  trans-94161.7-152.536.1-38.8000117.2
811P41.4Very low38.7Very low118 Ų118136.9 Ų136.977%0.76677%0.77SS**  trans-81.6169.8168.934.8-35.5000114.1
812P38Very low38.5Very low130 Ų130143 Ų14384%0.84478%0.778SS**  trans-93.6-166.2-163.938.5-38.2000115.8
813T33Very low37.8Very low117 Ų117142.9 Ų142.972%0.71878%0.776SS**  trans-129.2171.6-167.957.80000115
814Q33.8Very low37.3Very low163 Ų163146.6 Ų146.676%0.76278%0.779SS**  trans84.5156169.2-46.7-52.3-32.800116.5
815P41.1Very low37.1Very low95 Ų95141 Ų14162%0.61777%0.774SS**  cis-139.7170.67.646-30.1000119.3
816Y29.3Very low36.9Very low190 Ų190141.1 Ų141.175%0.74578%0.775SS**  trans87.2120.1144.3-66.1-45.4000126.4
817H30.6Very low36Very low157 Ų157140.6 Ų140.673%0.72777%0.774SS**  trans62.9115.1136.6-62.5-50.7000122.9
818L31.6Very low35.6Very low172 Ų172136.9 Ų136.990%0.90177%0.771SS**  -166.6162.887.2-97.3172000112.6
819L30.5Very low34.9Very low151 Ų151136.8 Ų136.879%0.79177%0.774SS**  trans-118.9151.8176.4-110.3161.9000107.8
820P44.2Very low34.8Very low115 Ų115135.8 Ų135.875%0.74777%0.77SS**  -151.8146.675.739.5-19.9000118.6
821S28.8Very low34.3Very low94 Ų94135.6 Ų135.666%0.65777%0.771SS**  trans42.3121.414466.10000122.5
822R29.6Very low34.5Very low226 Ų226135.4 Ų135.485%0.85377%0.77SS**  -173.2133.197-109.2-170.8170.9-159.7-2.2116.2
823T31.3Very low34.2Very low103 Ų103141.3 Ų141.363%0.63278%0.775SS**  trans42.5113.914355.40000123.7
824F32.1Very low34.2Very low204 Ų204143.3 Ų143.390%0.89578%0.781SS**  trans65135.6130.5-76.8-85000124
825S31.8Very low34.5Very low109 Ų109140 Ų14076%0.76277%0.772SS**  trans-79.1-165.2168.3-22.40000112.5
826P51.3Low34.3Very low117 Ų117141.7 Ų141.776%0.7678%0.783SS**  cis-133.8179.3-14.840.2-23.9000114.5
827S31.1Very low34.4Very low122 Ų122140.2 Ų140.285%0.85378%0.782SS**  trans-156.3146.7154.759.10000112.3
828C28.8Very low34.4Very low121 Ų121139.3 Ų139.382%0.81879%0.792SS**  trans-114.3138.9-177.4-54.10000111.7
829S31.1Very low34.5Very low121 Ų121134.4 Ų134.485%0.84678%0.783SS**  trans170154.213544.70000111.3
830P39.8Very low34.6Very low114 Ų114134 Ų13474%0.7479%0.787SS**  trans-111.7163.4-176.241-34000115
831S30.6Very low34Very low109 Ų109132.8 Ų132.876%0.76279%0.786SS**  trans74.9163.2156.9-53.50000117.6
832P46.1Very low34.3Very low113 Ų113136.5 Ų136.573%0.73480%0.798SS**  -137.4161.7-57.638.6-25000113.1
833R32.7Very low34.4Very low254 Ų254130.9 Ų130.996%0.95879%0.793SS**  trans-162159.9150.3-109.2151.1-153.9-149.63112.5
834L32.1Very low34.9Very low159 Ų159131.5 Ų131.583%0.83280%0.799SS**  trans-99.7158.4-168.6-68.8160.6000112.4
835T40.3Very low34.8Very low94 Ų94127.3 Ų127.358%0.57780%0.795SS**  trans10.4156.6151620000121.5
836P36.8Very low34.9Very low130 Ų130131.8 Ų131.884%0.84480%0.804SS**  -124.4160.3106.836.3-34000114.4
837H31.8Very low34Very low160 Ų160137.5 Ų137.574%0.74181%0.81SS**  trans-114.1157.5173.5-59.5-104.6000110.8
838C30.6Very low34.7Very low137 Ų137136.9 Ų136.993%0.92680%0.803SS**  trans-178.4147.9144.8-930000107.3
839G33.6Very low35.9Very low69 Ų69136.5 Ų136.571%0.71180%0.799SS**  cis-169.2-172-5.300000107.2
840T32.8Very low36.5Very low144 Ų144136.9 Ų136.988%0.88380%0.799SS**  cis-162.6-176.75.5-52.10000107.7
841A30Very low36.2Very low88 Ų88140.2 Ų140.273%0.72780%0.801SS**  trans83.5135.8173.900000116.4
842L36.8Very low36.3Very low173 Ų173141.6 Ų141.691%0.90680%0.8SS**  cis-147.7175.6-4.2-108.4162.1000110.4
843S30.4Very low35.7Very low108 Ų108143.4 Ų143.476%0.75580%0.803SS**  trans-118.1174.1-174-87.30000111.3
844P42.7Very low35.7Very low115 Ų115138.7 Ų138.775%0.74779%0.792SS**  cis-150.516630.743.2-21.7000121.6
845S29.5Very low35.6Very low117 Ų117140.1 Ų140.182%0.81879%0.792SS**  trans46.3124.6141.2-56.90000124.7
846H33Very low35.3Very low202 Ų202141 Ų14194%0.93580%0.802SS**  trans-99.2160.6149.9-82.7-94.7000111.6
847R32.5Very low35.1Very low237 Ų237142.8 Ų142.889%0.89480%0.799SS**  trans-144.7136.7-178.5-179.4-177.7-174.8-177.65.2112.5
848P47.1Very low34.9Very low109 Ų109145.3 Ų145.371%0.70880%0.803SS**  trans-118.1-165.7165.945.7-34.2000110.8
849P53.6Low34.9Very low114 Ų114145.4 Ų145.474%0.7480%0.795SS**  -124.5-178.9-102.137.1-18000114.4
850P44.5Very low35.1Very low128 Ų128146.9 Ų146.983%0.83179%0.794SS**  trans-126.1-178.6151.137.8-25.6000112.8
851K33.8Very low36Very low184 Ų184146 Ų14680%0.879%0.791SS**  trans-122176.1-175.6-63.3-177.6175.6-178.90113.1
852D31.5Very low36.2Very low138 Ų138146.9 Ų146.974%0.73879%0.791SS**  trans96.1113.3144.4-60.5-35.7000120.5
853L33.6Very low35.9Very low151 Ų151149.2 Ų149.279%0.79179%0.79SS**  trans59.9106.8132.4-121.274.2000121.3
854Q33.5Very low36Very low156 Ų156148.7 Ų148.773%0.72979%0.785SS**  169.4154.596.6-90.8-163.1-10.900115.1
855F29.4Very low35.4Very low188 Ų188149 Ų14983%0.82579%0.79SS**  trans13.6129.7161.5-68.6-85.3000123
856S34Very low35.9Very low112 Ų112148.8 Ų148.878%0.78379%0.788SS**  -159.2174.2120.8-159.50000112.2
857Q32Very low36.8Very low168 Ų168144.1 Ų144.179%0.78578%0.776SS**  trans-90.1176.9-159-64.8153.6-10900116.4
858Y28.7Very low36.9Very low213 Ų213141 Ų14184%0.83577%0.766SS**  trans2.4152.2143.8-78.8-109.6000118.7
859D30.9Very low36.3Very low140 Ų140146.6 Ų146.675%0.74977%0.773SS**  cis-154.5178.827.8-150-17.5000113.1
860S37.3Very low35.7Very low99 Ų99150 Ų15069%0.69277%0.772SS**  trans-96.2157.4163.7-53.50000110.5
861P51.4Low35.2Very low127 Ų127147.2 Ų147.283%0.82577%0.767SS**  -155179.983.640.7-20.7000116.6
862S34.1Very low35.2Very low105 Ų105147.1 Ų147.173%0.73477%0.769SS**  trans-70.3166169.4-36.60000113.8
863Y31.6Very low35.3Very low222 Ų222146.6 Ų146.687%0.87177%0.771SS**  -170.2173.8122.1-122.4-107.2000114.7
864C31.4Very low35.5Very low98 Ų98143.6 Ų143.666%0.66276%0.763SS**  trans-24.7160.3176.9-68.80000120.2
865S30.3Very low35.7Very low122 Ų122144.5 Ų144.585%0.85377%0.767SS**  cis-162.5161.346.9-49.10000115.9
866S40.5Very low35.8Very low111 Ų111141.2 Ų141.278%0.77677%0.767SS**  trans-152.8142.2164.3173.30000110.1
867P50.3Low35.7Very low104 Ų104139.3 Ų139.368%0.67577%0.765SS**  trans-144.9118.2158.733.8-14.7000116.9
868Y35.1Very low35.9Very low173 Ų173137 Ų13768%0.67877%0.768SS**  trans56160.5137.8-61.8-84.1000120.5Y870Y868-Y870 HydrophobicContact CD1-CD2 4.39Å; Y868-Y870 HydrophobicContact CD1-CE2 4.09Å; Y868-Y870 HydrophobicContact CE1-CE2 4.11Å
869W35.6Very low36.6Very low225 Ų225133 Ų13385%0.85277%0.768SS**  cis-142171.129.2-89.990.9000116.5
870Y40.3Very low36.9Very low185 Ų185131.7 Ų131.773%0.72577%0.769SS**  trans-59.3174.8-177.6-78.7-104.8000116.7Y868Y868-Y870 HydrophobicContact CD1-CD2 4.39Å; Y868-Y870 HydrophobicContact CD1-CE2 4.09Å; Y868-Y870 HydrophobicContact CE1-CE2 4.11Å
871G33Very low37.4Very low70 Ų70131.7 Ų131.772%0.72277%0.767SS**  cis178.3-171.34.400000109.1
872Q35.3Very low36.2Very low182 Ų182134.3 Ų134.385%0.8577%0.768SS**  cis-142178.70.4-59.4179.6-42.900106.9
873T33.4Very low36.2Very low128 Ų128133.6 Ų133.679%0.78576%0.763SS**  cis-141141.218.850.60000113.6
874S36.6Very low36.2Very low88 Ų88130 Ų13062%0.61576%0.759SS**  trans-48.1162162.6-620000116
875H38.6Very low36.2Very low174 Ų174131.6 Ų131.681%0.80677%0.766SS**  cis-155.4-156.1-20-86.3-35.5000105.7
876S31.6Very low36.3Very low119 Ų119132.8 Ų132.883%0.83277%0.768SS**  cis-159.2174.316.7-67.50000108.1
877G32.1Very low35.9Very low72 Ų72132.3 Ų132.374%0.74276%0.76SS**  cis13677.1-1.500000112.4
878S36.2Very low35Very low121 Ų121135.7 Ų135.785%0.84677%0.767SS**  trans-77.7152.8-179-46.90000113.6
879P43.6Very low34.8Very low129 Ų129130.8 Ų130.884%0.83876%0.762SS**  -140.5171.1119.839-27.4000114.7
880S36.7Very low34.8Very low111 Ų111129 Ų12978%0.77676%0.763SS**  trans-107160.6164.6-157.30000107.2
881P47.4Very low34.4Very low99 Ų99125.3 Ų125.364%0.64376%0.764SS**  cis-146.2-158.526.437.2-12.1000116.1
882H27.3Very low34.4Very low182 Ų182129.6 Ų129.684%0.84377%0.77SS**  trans83170.9167.1-65.6-55.5000118.9
883S32.3Very low35.6Very low90 Ų90125.3 Ų125.363%0.62976%0.759SS**  trans-143.9150.6-14754.60000112.9
884N32.6Very low35.7Very low148 Ų148128.1 Ų128.179%0.79176%0.762SS**  trans61.2122.6162.5-57.2-11.6000118
885T30.5Very low35.5Very low130 Ų130128.6 Ų128.680%0.79877%0.772SS**  -166131125.12.80000113
886T32.5Very low35.2Very low148 Ų148125.8 Ų125.891%0.90877%0.771SS**  trans-138.5114144.9-48.60000107.7
887V32.5Very low36.3Very low101 Ų101124.5 Ų124.561%0.61276%0.76SS**  trans-83.3167.6170.9-79.60000109.7
888H31.9Very low36.6Very low174 Ų174130.2 Ų130.281%0.80677%0.767SS**  cis-147171.522.4-83.3-77.9000108.9
889A30.6Very low36.4Very low71 Ų71127.8 Ų127.859%0.58776%0.761SS**  cis-172.4-141.2-21.100000108
890H35Very low35.9Very low187 Ų187129.8 Ų129.887%0.86677%0.765SS**  trans73.4161177.4-52.7-70.8000116.8
891S32.1Very low35.8Very low107 Ų107128.8 Ų128.875%0.74876%0.764SS**  trans-159.6131.9-13954.80000115.9
892N34.1Very low35.2Very low160 Ų160133.2 Ų133.286%0.85678%0.775SS**  trans58.8163.3149.4-102.48.8000119.8
893P60.2Low35.4Very low93 Ų93129.5 Ų129.560%0.60478%0.776SS**  cis-129.2176.3-46.735.1-19.7000111.2
894H35.8Very low35.4Very low186 Ų186132.5 Ų132.586%0.86179%0.785SS**  trans-176.2143.3136.5-105.3-71.1000114.1
895A32.8Very low35.4Very low99 Ų99130.9 Ų130.982%0.81879%0.786SS**  trans66.9142.4151.200000122.4
896S32.5Very low35.5Very low114 Ų114133.1 Ų133.180%0.79779%0.792SS**  trans-107.4-165.5167.5-148.20000107.4
897P54.5Low35.5Very low92 Ų92130.5 Ų130.560%0.59779%0.785SS**  cis-138.2-179.9-8.735.3-13.4000116.1
898H37Very low35.5Very low192 Ų192132.5 Ų132.589%0.88979%0.792SS**  trans61.9166.3166.7-58.1-65.8000117
899G32.1Very low36.8Very low70 Ų70129.7 Ų129.772%0.72279%0.79SS**  cis163.1147.5-1600000114.4
900N34.4Very low36.9Very low171 Ų171132.6 Ų132.691%0.91480%0.8SS**  trans71.9135.3160.7-96.42.4000124
901A33.2Very low36.9Very low91 Ų91129.2 Ų129.275%0.75279%0.792SS**  trans87.8153.3131.200000123.6
902H34.4Very low37.1Very low191 Ų191130.4 Ų130.488%0.88479%0.79SS**  trans-74.3158.8-172.5-51.3-112.2000115.1
903A32.2Very low37.1Very low104 Ų104128.4 Ų128.486%0.8678%0.784SS**  -170.9161.2129.500000115.5
904N33.1Very low35.9Very low154 Ų154131.8 Ų131.882%0.82479%0.792SS**  trans-74.8155-168-62.1-41.5000118.8
905S31.3Very low35.8Very low114 Ų114129.2 Ų129.280%0.79779%0.789SS**  39.2133.1126.7-48.50000124.2
906L33.6Very low35.7Very low177 Ų177132.1 Ų132.193%0.92779%0.785SS**  trans-152.3149.9151.8-90.3142.2000106.9
907A32.5Very low35.6Very low93 Ų93134.1 Ų134.177%0.76978%0.784SS**  cis-150.5170.4-5.200000110.6
908N32.4Very low34.4Very low143 Ų143135.3 Ų135.377%0.76579%0.794SS**  trans-141.1154172.5-157.49.5000107.5
909P60.1Low34.1Very low115 Ų115133.1 Ų133.175%0.74779%0.789SS**  -154.4148106.436.7-18.9000117.2
910T32Very low34Very low132 Ų132135.3 Ų135.381%0.8179%0.789SS**  trans-169.5169.1141.380000111.5
911V35.7Very low33.9Very low115 Ų115135.6 Ų135.670%0.69778%0.784SS**  -148142.5-91.480.50000111.9
912N36.2Very low34Very low133 Ų133140.6 Ų140.671%0.71179%0.792SS**  trans61.8153.9163.1-66.8-4.5000119.2
913T33.9Very low33.8Very low117 Ų117140 Ų14072%0.71879%0.79SS**  cis-152.7127.910.8-14.90000113.9
914H33.1Very low33.8Very low165 Ų165140 Ų14076%0.76478%0.784SS**  trans58.2154.5139.4-79.1-112.1000126
915T33.8Very low33.8Very low131 Ų131141 Ų14180%0.80478%0.782SS**  trans59.8115.816848.70000117.3
916H32Very low33.8Very low161 Ų161141.1 Ų141.175%0.74578%0.779SS**  cis78.6104.523.4-146.6-52.8000114.9
917M30.9Very low33.6Very low156 Ų156139.4 Ų139.477%0.76877%0.771SS**  168.6149.6127-89.7-53.1172.500115.8
918S28.9Very low33.6Very low116 Ų116142.2 Ų142.281%0.81177%0.772SS**  trans79124.9150.9-61.10000123.1
919D29.8Very low33.5Very low146 Ų146140 Ų14078%0.78177%0.768SS**  trans-91.8148.5178.9-91.2-65.2000115.3
920T30.8Very low32.2Very low117 Ų117139.2 Ų139.272%0.71877%0.765SS**  trans65158.4140.766.80000123.3
921Q31.6Very low32.2Very low176 Ų176141.8 Ų141.882%0.82277%0.767SS**  trans66.1109.7164.5-53.8-159.216.200119.3
922H36.2Very low32Very low197 Ų197142.2 Ų142.291%0.91277%0.77SS**  -159.8146.3117.1-114.7-79.2000111.7
923Q29.1Very low31.5Very low178 Ų178141 Ų14183%0.83277%0.772SS**  trans-91.7143.4170.8-62.8171.2-29.500110.5
924S32.8Very low31.2Very low105 Ų105142 Ų14273%0.73478%0.778SS**  168.9136.2126.444.40000114.2
925H33Very low31Very low173 Ų173142.9 Ų142.980%0.80178%0.782SS**  trans-4.7140.5164.1-37.2-74.3000119.6
926T31.7Very low32Very low118 Ų118142.1 Ų142.172%0.72478%0.78SS**  -167.21525635.10000113.9
927N29.7Very low31.8Very low141 Ų141139.2 Ų139.275%0.75478%0.783SS**  trans60.5136.9152-61.2-18.3000120.8
928L32.6Very low31.6Very low152 Ų152137.3 Ų137.380%0.79679%0.786SS**  cis-158.9130.4-1.8-117.9168.3000113.1
929S29.8Very low31.6Very low97 Ų97139.3 Ų139.368%0.67878%0.782SS**  trans48.688.7150.8-1590000123.4
930S32Very low31.6Very low97 Ų97138.4 Ų138.468%0.67878%0.776SS**  47.9113.6110-53.30000124.7
931H32.9Very low31.5Very low186 Ų186140.6 Ų140.686%0.86178%0.779SS**  60.1-175.9114-64.8-67.7000123.3
932T30.2Very low31.3Very low124 Ų124137.3 Ų137.376%0.76178%0.775SS**  trans-125.7156-148.349.10000115.1
933S26.6Very low30.9Very low108 Ų108132.6 Ų132.676%0.75576%0.764SS**  trans74.1125.8156.7-166.40000118.9
934T27.7Very low31Very low138 Ų138132.1 Ų132.185%0.84776%0.762SS**  -177.5150126.419.90000114
935H28.6Very low31.5Very low183 Ų183132.1 Ų132.185%0.84776%0.759SS**  trans-108.2179.2151.9-71.3-89.5000107.3
936P54.2Low31.4Very low116 Ų116130.8 Ų130.875%0.75375%0.753SS**  cis-131.1-163.8-20.532.7-11000113.1
937A28.2Very low31.4Very low99 Ų99132.6 Ų132.682%0.81876%0.758SS**  trans69.3163.916300000115.9
938S27.5Very low31.5Very low117 Ų117132.4 Ų132.482%0.81876%0.756SS**  cis-158.2169.36.1101.10000107.7
939H29.4Very low31.3Very low157 Ų157128.2 Ų128.273%0.72774%0.744SS**  cis-173.5-165.8-8.6177.2-126.1000107.1
940L29.5Very low31.5Very low127 Ų127132.1 Ų132.167%0.66575%0.751SS**  trans73.8135.7169.1-53.9173000116.3
941Q29.1Very low31.6Very low164 Ų164134.1 Ų134.177%0.76675%0.753SS**  cis-164.8157.2-11.1-139.5169.5-4.500112.1
942S26.6Very low32.1Very low107 Ų107131.1 Ų131.175%0.74875%0.75SS**  trans64.7152.9147.3-161.80000120.9
943S28Very low32.1Very low97 Ų97129.7 Ų129.768%0.67874%0.742SS**  -176.8127-74.350.50000110.7
944Q30.2Very low32.3Very low169 Ų169132.5 Ų132.579%0.7975%0.747SS**  trans63.4170.3169.7-83.1-170.12.600115.8
945P44.2Very low32.4Very low105 Ų105130 Ų13068%0.68274%0.741SS**  cis-133163.814.337.3-17.2000119.4
946H30.6Very low32.9Very low145 Ų145130 Ų13067%0.67174%0.741SS**  trans38.4155.8138.4-54.9-49.9000125.4
947L32.1Very low32.3Very low156 Ų156130.1 Ų130.182%0.81774%0.742SS**  trans73.3148153.6-69.6157.3000117.8
948N30.8Very low32.9Very low136 Ų136132.3 Ų132.373%0.72774%0.739SS**  cis-158-176.7-22.6-153.71.9000111.7
949A29.7Very low33.8Very low65 Ų65132.3 Ų132.354%0.53774%0.737SS.*  trans-26.6155.5159.400000117
950H33.4Very low34.3Very low179 Ų179130.1 Ų130.183%0.82974%0.739SS**  -159.7141.862-110.3-83.8000117.8
951L34Very low35.2Very low138 Ų138130.2 Ų130.272%0.72375%0.748SS**  trans-70.2149.9147.3-88.3161.1000109.5
952P43.9Very low35.4Very low123 Ų123125.4 Ų125.480%0.79974%0.742SS**  -151.1-169.474.434.6-12.3000117
953T29.3Very low35.8Very low94 Ų94127.7 Ų127.758%0.57775%0.745SS**  cis175.2131.5-46.9-75.30000108.6
954L32.2Very low36Very low167 Ų167130.5 Ų130.587%0.87475%0.747SS**  trans63.7167.4168.6-100.264.5000116.6
955A28.1Very low35.9Very low86 Ų86126.6 Ų126.671%0.71174%0.738SS**  cis-150.8169.2-800000111.9
956H39.7Very low35.5Very low182 Ų182130 Ų13084%0.84375%0.745SS**  trans-60.2164.8156.4-62.7-65.4000111.5
957P42.7Very low35.5Very low119 Ų119127.9 Ų127.977%0.77375%0.746SS**  cis-147.3-174.633.442.7-21.5000118.3
958N40.5Very low35.7Very low145 Ų145127.1 Ų127.178%0.77575%0.748SS**  trans-58.9151.4158.1-103.5-5.6000111.1
959P45.2Very low36.6Very low117 Ų117126.8 Ų126.876%0.7675%0.753SS**  -140.8158.3112.238.3-27.7000114.6
960S40.3Very low36.7Very low112 Ų112126.7 Ų126.778%0.78376%0.759SS**  trans-108133.2166.7-49.20000110.4
961P48.9Very low36.5Very low129 Ų129126.3 Ų126.384%0.83876%0.762SS**  trans-109.7166.8154.135.8-27000111.3
962G32.9Very low36.4Very low63 Ų63128.8 Ų128.865%0.64976%0.763SS**  trans-142-157.2179.500000112.8
963L34.2Very low35.9Very low155 Ų155130.8 Ų130.881%0.81276%0.762SS**  trans71.9152.2-168.2-44.9175000111.5
964H32.4Very low36.1Very low155 Ų155133.3 Ų133.372%0.71877%0.767SS**  cis-121.8145.615.8-81.3-117.1000110.4
965S28.4Very low36Very low87 Ų87136.1 Ų136.161%0.60877%0.766SS**  75.6159.469.7-48.20000114.7
966H35.4Very low36.2Very low178 Ų178139.1 Ų139.182%0.82477%0.771SS**  trans88.3136.2-172-54.7-72000116.5
967S31.7Very low37.1Very low100 Ų100135.6 Ų135.670%0.69976%0.763SS**  cis-178.2122.8-40.837.10000108.6
968T36.8Very low36.6Very low140 Ų140135.2 Ų135.286%0.85976%0.764SS**  trans-75.114917043.40000111.9
969P49.1Very low36.2Very low128 Ų128133.8 Ų133.883%0.83177%0.765SS**  -123.6168.8105.637-33.9000111.8
970G31.2Very low35.6Very low64 Ų64132.4 Ų132.466%0.6676%0.764SS**  cis136.8148.3-1.300000112
971L30.6Very low35.2Very low171 Ų171136 Ų13690%0.89577%0.77SS**  trans77128.5-174-48.9178.9000114
972Y30Very low34.6Very low190 Ų190133.8 Ų133.875%0.74576%0.763SS**  71.7132.768.7-129.4-118.6000110.5
973E34.4Very low35.5Very low164 Ų164137 Ų13777%0.76677%0.772SS**  cis-150.1-168.634.4-167.3156.6176.900113.8
974E33.3Very low35.5Very low148 Ų148138.1 Ų138.169%0.69277%0.773SS**  trans-85.4-173.6-160.6-144.6-168.7141.300117
975R31Very low35.4Very low225 Ų225139.2 Ų139.285%0.84978%0.776SS**  trans88.3116.1155.3-81.4-177.7174.1148.81.3123.6
976N32.3Very low35.7Very low150 Ų150145.4 Ų145.480%0.80279%0.786SS**  trans-76.7-177.3143.3-94.6-40.5000111.2
977P57.3Low35.7Very low107 Ų107144.2 Ų144.270%0.69579%0.786SS**  cis-137.4-165.8-13.129.4-5.6000114.9
978S32.4Very low36Very low112 Ų112147.6 Ų147.678%0.78380%0.795SS**  trans91.7155.4158-28.60000116.4
979S33Very low36Very low115 Ų115146.5 Ų146.580%0.80479%0.788SS**  cis-156.3-178.28.6-163.60000112.5
980A32.1Very low35.9Very low88 Ų88145.2 Ų145.273%0.72778%0.779SS**  trans73.5145.8165.400000118.9
981M32.6Very low35.9Very low186 Ų186150.7 Ų150.792%0.91679%0.787SS**  cis-157.2161.5-14.2-108.8-61.1-179.600109.5
982A34.8Very low36.2Very low83 Ų83147.4 Ų147.469%0.68678%0.779SS**  trans-106171.2173.100000112.1
983P51.7Low36.4Very low130 Ų130147.3 Ų147.384%0.84479%0.788SS**  -147.6158.9104.536.8-20.5000117.8
984H34.6Very low36.3Very low180 Ų180144.5 Ų144.583%0.83379%0.786SS**  trans-60.5156.8179-78.6-90.3000118.1
985K30.6Very low36.3Very low177 Ų177144.4 Ų144.477%0.7780%0.795SS**  164.3148.1114.1-86.3163.7-176.2176.20109
986R35.2Very low36.3Very low217 Ų217136.7 Ų136.782%0.81979%0.786SS**  cis-162.6145.62.3-128.9174.5-58.8174.94.3108.7
987D35.1Very low36.4Very low154 Ų154137.6 Ų137.682%0.82479%0.79SS**  trans-90164.4169.2-63.6-73000112.9
988L38.8Very low35.2Very low170 Ų170143.1 Ų143.189%0.8980%0.797SS**  trans-158.4140.5151.1-110.4168.5000112.8
989V35.6Very low35.3Very low118 Ų118147 Ų14772%0.71580%0.803SS**  trans-161.5159.1-162168.10000106
990P47.7Very low35.3Very low100 Ų100144.6 Ų144.665%0.64980%0.796SS**  cis-81.9-153.47.9-14.736.1000116.6
991H31.6Very low35.8Very low179 Ų179146.7 Ų146.783%0.82980%0.803SS**  cis-147.7170.230.2-95.5-89.6000115.9
992S35.6Very low36Very low103 Ų103145.5 Ų145.572%0.7280%0.799SS**  trans-127.5162.3167.756.20000110.6
993M34Very low37.2Very low188 Ų188146 Ų14693%0.92680%0.795SS**  trans-146.5157.4160.5-87-54.8-76.900111.6
994S33.4Very low36.2Very low104 Ų104148.4 Ų148.473%0.72780%0.795SS**  trans-138137.3-173177.80000111.5
995T33.3Very low36.2Very low146 Ų146144.7 Ų144.790%0.89679%0.789SS**  trans-180148.8161.630.20000107.2
996G30.1Very low37Very low63 Ų63141.7 Ų141.765%0.64979%0.787SS**  cis152.3143.8-400000111
997L34.2Very low36.7Very low169 Ų169142.1 Ų142.189%0.88579%0.791SS**  trans67.7124.7173.2-57.3166.6000115.1
998R33.6Very low36.5Very low224 Ų224138.9 Ų138.985%0.84578%0.78SS**  72.7101.360.7-75.4-83.4-167.3-160.11.1113.8
999Q33.2Very low36.2Very low193 Ų193136.2 Ų136.290%0.90276%0.761SS**  178.1149114.4-94.5168.729.200112.4
1000G34.2Very low37Very low65 Ų65134.3 Ų134.367%0.6775%0.752SS**  trans-111.6-179.6150.400000108.2
1001P41.6Very low36.7Very low132 Ų132132.7 Ų132.786%0.85774%0.741SS**  -146.2-171.752.540.6-20.5000116.6
1002L37.3Very low36.9Very low160 Ų160131.5 Ų131.584%0.83874%0.74SS**  trans-83.8-176.5164.8-75.6163.8000111.3
1003P59Low36.8Very low93 Ų93133.6 Ų133.660%0.60474%0.743SS**  cis-130.2-166.7-26.532.7-12.6000112.5
1004H31.5Very low36.6Very low182 Ų182129.1 Ų129.184%0.84374%0.736SS**  165.4162.1124.8-89.9-70.6000114.9
1005S35.2Very low36.5Very low102 Ų102129.4 Ų129.471%0.71374%0.738SS**  trans-145.7167.2166.274.80000108.2
1006P46.8Very low37.3Very low113 Ų113128 Ų12873%0.73473%0.731SS**  -159.8177.963.542.1-18.5000120.2
1007Y29.2Very low37.4Very low227 Ų227132.5 Ų132.589%0.8974%0.735SS**  trans42140.9145.3-92-90.7000128.1
1008S30.5Very low37.2Very low86 Ų86132.8 Ų132.860%0.60173%0.732SS**  171.1154.4127.644.70000116.6
1009K32.9Very low37.5Very low113 Ų113129.3 Ų129.349%0.49173%0.725SS.*  trans-169.8175.9-179.1-88.1-135.6169.1-169.50112.5A754 P756A754-K1009 WeakPolarHBondContact O-CD 3.23Å; A754-K1009 VanDerWaalsContact O-CG 3.26Å; A754-K1009 WeakPolarHBondContact O-CG 3.1Å; P756-K1009 VanDerWaalsContact CA-C 3.41Å; P756-K1009 WeakPolarHBondContact CA-O 3.22Å; P756-K1009 WeakPolarHBondContact CB-O 3.41Å
1010P51.6Low37.6Very low79 Ų79127.8 Ų127.851%0.51372%0.723SS.*  cis-133.5167.5-41.240.7-23.3000117.7A754A754-P1010 HydrophobicContact CB-CB 4.14Å; A754-P1010 WeakPolarHBondContact O-CA 2.8Å; A754-P1010 WeakPolarHBondContact O-CB 3.39Å
1011P42.3Very low37.7Very low65 Ų65130.1 Ų130.142%0.42273%0.725SS.*  trans-108.4-179161.240.5-40.8000113.3A754 P755A754-P1011 HydrophobicContact CB-CG 4.47Å; P755-P1011 VanDerWaalsContact O-CD 3.29Å; P755-P1011 WeakPolarHBondContact O-CD 3.27Å
1012L35.6Very low37.3Very low154 Ų154129.5 Ų129.581%0.80672%0.724SS**  cis85.5146.516.5-54.5177.9000116.7
1013D32.7Very low37.1Very low147 Ų147124.7 Ų124.779%0.78671%0.713SS**  cis-153.9176.10.9-145.7-15.7000115.9
1014A30.6Very low35.9Very low95 Ų95130.8 Ų130.879%0.78573%0.725SS**  trans86.1155.615600000123.6
1015S32.1Very low35.8Very low110 Ų110128.1 Ų128.177%0.76972%0.722SS**  trans-145162.5-177.9175.70000109.7
1016P49.6Very low35.8Very low115 Ų115130.9 Ų130.975%0.74773%0.728SS**  -159.7159118.740.5-21.6000120.5
1017H31.2Very low36.3Very low159 Ų159130.2 Ų130.274%0.73672%0.723SS**  trans75.2156.7139.3-103-84000127.8E1019H1017-E1019 IonicContact CE1-OE2 3.43Å; H1017-E1019 IonicContact ND1-OE2 3.95Å
1018Q30Very low36.7Very low174 Ų174127.1 Ų127.181%0.81372%0.717SS**  trans81.8108.1159.9-152.9156.760.900115.9
1019E41.7Very low36.9Very low151 Ų151130.9 Ų130.971%0.70673%0.725SS**  cis77.211843.7-65.9-174.5105.500116.1H1017H1017-E1019 IonicContact CE1-OE2 3.43Å; H1017-E1019 IonicContact ND1-OE2 3.95Å
1020D34.1Very low37.3Very low161 Ų161130 Ų13086%0.86173%0.733SS**  trans-158.9165146.2-138.5-29.1000112.4
1021T37.3Very low36.4Very low114 Ų114137.5 Ų137.570%0.69975%0.753SS**  trans-138.5162-149.9-60.10000117.3
1022S32.3Very low36.2Very low120 Ų120143.6 Ų143.684%0.83978%0.776SS**  trans82.4154.9164.580.20000118.9
1023G34Very low36.2Very low59 Ų59139.3 Ų139.361%0.60877%0.769SS**  cis170.5170-900000114
1024Y33Very low36.2Very low220 Ų220139 Ų13986%0.86377%0.772SS**  trans69145.2166.7-69.5-96.1000118.8
1025T29.5Very low36.5Very low126 Ų126137.1 Ų137.177%0.77376%0.762SS**  cis-157.1174.7-15.3-0.50000113.2
1026L34.9Very low36.6Very low160 Ų160139.5 Ų139.584%0.83876%0.761SS**  trans-95.5-170.3177.3-127.267.9000111.9
1027P56.7Low36.1Very low99 Ų99144.9 Ų144.964%0.64377%0.766SS**  cis-143.4175.7-17.342.2-23.3000118.4
1028Q37.3Very low36.1Very low163 Ų163148.4 Ų148.476%0.76277%0.774SS**  trans68.3145.7135.8-89.4-168.8400128.4
1029Q36Very low37.6Very low165 Ų165145.7 Ų145.777%0.77177%0.772SS**  trans91.6171.9138.3-83.8-170.446.700123.5
1030S40Very low38.3Very low93 Ų93143.2 Ų143.265%0.6577%0.769SS**  trans-147.1155.1-144.756.80000114
1031Y32.9Very low38.5Very low237 Ų237144.6 Ų144.693%0.92977%0.77SS**  trans-153.5169.7164.1-110.3-78.4000115.2
1032Q37.6Very low38.3Very low194 Ų194145.1 Ų145.191%0.90777%0.773SS**  trans-115.9167.4179.8-60.2-177.7-600113
1033G35.8Very low38.5Very low64 Ų64143.6 Ų143.666%0.6677%0.768SS**  trans141.1137.4130.400000120.6
1034V34.5Very low38.7Very low140 Ų140150.5 Ų150.585%0.84878%0.784SS**  trans66.7144.9149-165.10000118.1
1035G35.9Very low38.7Very low56 Ų56143.8 Ų143.858%0.57778%0.782SS**  cis162.3174.7-9.200000113.9
1036H35Very low38.9Very low160 Ų160141.8 Ų141.874%0.74179%0.787SS**  trans78.8151.7171.2-46.4-44.5000118.4
1037R38.6Very low38.9Very low228 Ų228135.7 Ų135.786%0.8676%0.763SS**  cis-160.6165.7-16.5-106.2177.8-161.4-135.67.5110.7
1038Y30.1Very low38.4Very low233 Ų233135.6 Ų135.691%0.91476%0.76SS**  trans-89.1-174.1178.9-75.5-86.6000114.4
1039P62Low38.4Very low116 Ų116133.6 Ų133.675%0.75375%0.754SS**  cis-124.2-115.8-1033-9.5000113
1040P57.6Low38.5Very low99 Ų99130.3 Ų130.364%0.64375%0.748SS**  -131.6159.3-53.336-17.8000118.5
1041Q37.7Very low38.3Very low190 Ų190133.9 Ų133.989%0.88875%0.754SS**  trans56.7161.1145.1-70.7176.1-5.200121.7
1042T33.7Very low38.7Very low125 Ų125128.9 Ų128.977%0.76774%0.743SS**  cis-140.6154.6-2.935.90000108.3
1043A35.8Very low38.6Very low88 Ų88127.7 Ų127.773%0.72774%0.742SS**  cis99142.736.900000115.9
1044Q38.6Very low38.7Very low204 Ų204131.3 Ų131.395%0.95375%0.746SS**  trans85.5147.1-176.4-54.6-171.6-3.900118.2
1045G33.5Very low39.2Very low80 Ų80130 Ų13083%0.82574%0.741SS**  cis160.7123-18.900000118.4
1046G33.3Very low39Very low84 Ų84131.3 Ų131.387%0.86675%0.746SS**  trans78.8148.516600000117.8
1047G35.3Very low39Very low32 Ų32129 Ų12933%0.3375%0.748SS.*  cis-174.3-177.7-1.300000110.5G153 G154 G155G153-G1047 VanDerWaalsContact O-CA 3.3Å; G153-G1047 WeakPolarHBondContact O-CA 3.4Å; G154-G1047 CarbonylContact C-O 3.33Å; G154-G1047 VanDerWaalsContact CA-O 3.26Å; G154-G1047 WeakPolarHBondContact CA-O 3.41Å; G154-G1047 VanDerWaalsContact N-C 3.25Å; G154-G1047 PolarHBondContact N-O 2.89Å; G155-G1047 PolarHBondContact N-O 2.99Å
1048V44.8Very low38.8Very low96 Ų96125.2 Ų125.258%0.58275%0.745SS**  cis89.7151.839.3-77.10000119.4A152 G153 G154A152-V1048 WeakPolarHBondContact O-CG2 3.32Å; G153-V1048 CarbonylContact C-O 3.08Å; G153-V1048 WeakPolarHBondContact CA-O 3.33Å; G153-V1048 VanDerWaalsContact N-C 3.29Å; G153-V1048 PolarHBondContact N-O 3.41Å; G153-V1048 VanDerWaalsContact N-O 3.12Å; G154-V1048 WeakPolarHBondContact CA-O 3.43Å; G154-V1048 PolarHBondContact N-O 2.85Å
1049L38Very low39.1Very low121 Ų121120.8 Ų120.863%0.63474%0.737SS**  trans66.8127.4-163.7-68.3174.9000115.2A152A152-L1049 HydrophobicContact CB-CD1 3.77Å; A152-L1049 HydrophobicContact CB-CD2 4.36Å; A152-L1049 HydrophobicContact CB-CG 3.92Å
1050C38Very low37.9Very low97 Ų97120.3 Ų120.366%0.65574%0.737SS**  cis93.4138.241.8-71.80000113.2
1051Q36.2Very low36.8Very low167 Ų167125.1 Ų125.178%0.7875%0.747SS**  cis-161.7151.52.7-129.3163.6-38.400113.2
1052L40.4Very low36.8Very low133 Ų133121.5 Ų121.570%0.69674%0.743SS**  trans49.7118.6146-133.476.8000121
1053L35Very low37Very low168 Ų168121.5 Ų121.588%0.8874%0.743SS**  -174.9145115.5-98.5162.6000111.6
1054D37.9Very low37.4Very low140 Ų140123.4 Ų123.475%0.74975%0.746SS**  trans-112.3151.6171.1-148.9-0.8000105.8
1055P45.3Very low37.5Very low114 Ų114118.9 Ų118.974%0.7474%0.737SS**  -148.6157.468.339.9-20.9000117.8
1056A33.3Very low37.7Very low83 Ų83126.3 Ų126.369%0.68676%0.756SS**  trans56108.4138.700000120.8
1057S33.6Very low37.9Very low112 Ų112128.5 Ų128.578%0.78375%0.751SS**  -157130.5129.9-50.20000110
1058D34.7Very low38Very low147 Ų147133.5 Ų133.579%0.78677%0.773SS**  trans38.2142142.9-49.1-31.3000123.9
1059D37.2Very low37.6Very low140 Ų140135.6 Ų135.675%0.74978%0.784SS**  trans73.2115.8147.9-71.2-16.7000123.7
1060S36.1Very low37.6Very low107 Ų107136.5 Ų136.575%0.74879%0.792SS**  72.556.5125.3-58.70000120S1062S1060-S1062 PolarHBondContact O-N 3.42Å
1061F35.1Very low37.6Very low199 Ų199138.9 Ų138.987%0.87380%0.801SS**  trans-83.292.6157.2-85.1-83.1000112.7
1062S37.3Very low37.7Very low114 Ų114137.1 Ų137.180%0.79780%0.802SS**  trans-91.890.5161.344.40000110.4S1060 T1064S1060-S1062 PolarHBondContact O-N 3.42Å; S1062-T1064 PolarHBondContact O-N 2.6Å
1063V37.4Very low37.5Very low126 Ų126137.4 Ų137.476%0.76481%0.81SS**  trans-75.5117.7176.3175.30000110.4S1065V1063-S1065 PolarHBondContact O-N 2.99Å
1064T44.1Very low37.7Very low128 Ų128135 Ų13579%0.78580%0.804SS**  trans-7211416739.50000111.1S1062S1062-T1064 PolarHBondContact O-N 2.6Å
1065S41.6Very low37.7Very low109 Ų109134.6 Ų134.676%0.76281%0.809SS**  163.9127.5111.250.40000113V1063V1063-S1065 PolarHBondContact O-N 2.99Å
1066L36.2Very low37Very low236 Ų236136.5 Ų136.5100%1.23682%0.815SS**  -167.10125.2-103.8162.2000109.6

Retrieved 1,066 of 1,066 residues in 397.7 ms (Link to these results)