A0A5K4F372_SCHMA Loading...

Serine/threonine-protein kinase

AlphaFold DB , UniProt , Accession A0A5K4F372, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,230 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
1M32.4Very low28.7Very low229 Ų229145.5 Ų145.5100%1.12881%0.813SS**  095.80-69.9-179.5178.200109.2
2N28.7Very low28.7Very low136 Ų136149.5 Ų149.573%0.72782%0.816SS**  cis170.9138.1-16.2-89.711.8000102
3N29.5Very low28.6Very low114 Ų114147.4 Ų147.461%0.6181%0.81SS**  cis-160.1156.1-2.5-111.64.7000109
4F30.3Very low28.7Very low171 Ų171147.7 Ų147.775%0.7581%0.81SS**  trans59.6125.8172.6-55.6-68.7000116.7
5I28.8Very low28.7Very low151 Ų151149 Ų14977%0.77481%0.805SS**  cis65.593.113.7-43.4177.4000114.8
6E28Very low28.7Very low195 Ų195148.6 Ų148.691%0.91180%0.802SS**  trans175.6147.6138.6-99.4168.5-176.300107.9
7G28.4Very low28.9Very low73 Ų73147.6 Ų147.675%0.75380%0.797SS**  cis-160.9159.2-11.500000109
8A27.3Very low29Very low102 Ų102147.9 Ų147.984%0.84380%0.796SS**  trans-135.8128.6-177.300000112.2
9P28.3Very low28.9Very low131 Ų131145.2 Ų145.285%0.85179%0.789SS**  trans-97.2103.5170.233.7-27.6000111
10S25.3Very low29Very low113 Ų113143.4 Ų143.479%0.7978%0.783SS**  trans-72.1141.716556.30000111
11K28.4Very low29Very low186 Ų186144.6 Ų144.681%0.80978%0.783SS**  trans-148.4128.5162.7-110.3170.5-175.2176.30112.8
12F29.2Very low28.8Very low193 Ų193140.1 Ų140.185%0.84676%0.763SS**  trans67.4118.3167.7-58.5-66.8000120.4
13V27.3Very low28.8Very low122 Ų122137.9 Ų137.974%0.73976%0.757SS**  trans-132.2131.1169.61680000107.8K15V13-K15 HydrophobicContact CG1-CG 4.31Å
14N30.5Very low28.8Very low152 Ų152135.4 Ų135.481%0.81375%0.747SS**  trans-160.1121.2151.7-96.6-21.9000105.8
15K28.6Very low28.7Very low167 Ų167134 Ų13473%0.72675%0.748SS**  60.1101.855.2-64.9-169.6173.5-176.70110.7V13V13-K15 HydrophobicContact CG1-CG 4.31Å
16N28Very low28.9Very low143 Ų143135.1 Ų135.177%0.76575%0.754SS**  -156.2-173.368.8-84.8-21.6000114.5
17D33.2Very low28.9Very low132 Ų132132 Ų13271%0.70675%0.749SS**  trans79.273.6156.1-55.5-22.2000121.8
18I29.9Very low29Very low152 Ų152135.5 Ų135.578%0.77975%0.749SS**  54111.9113.3-57.1157000118.9
19S27.6Very low29.1Very low96 Ų96137.9 Ų137.967%0.67175%0.747SS**  165.9115.2107.7-157.70000117.3
20T30.2Very low29.2Very low110 Ų110142.9 Ų142.968%0.67575%0.749SS**  trans59.2123.3144.659.60000126.2
21H30.1Very low29.3Very low169 Ų169145.3 Ų145.378%0.78275%0.745SS**  trans6984.3131.8-63.9-49.9000124.1
22I27.4Very low29.3Very low135 Ų135140.4 Ų140.469%0.69274%0.735SS**  trans-142.5125.3142.4-57.6-178.3000110.8
23S28.9Very low29.3Very low88 Ų88140.6 Ų140.662%0.61574%0.735SS**  trans-159172.6175.577.10000112.8
24P30.2Very low29.3Very low62 Ų62140.2 Ų140.240%0.40373%0.733SS.*  -146.4120.3-85.337.7-17.6000116.3K411P24-K411 HydrophobicContact CB-CD 4.12Å; P24-K411 HydrophobicContact CG-CB 3.79Å; P24-K411 HydrophobicContact CG-CD 3.42Å; P24-K411 VanDerWaalsContact CG-CD 3.42Å; P24-K411 HydrophobicContact CG-CG 4.3Å
25N28Very low29.3Very low142 Ų142141.1 Ų141.176%0.75974%0.737SS**  trans-15387.5172.1-98.8-36.5000115.4
26L32.2Very low29.4Very low174 Ų174139 Ų13991%0.91173%0.731SS**SBendtrans-148.237167.6-115.9171.5000112.2
27T28.4Very low29.6Very low129 Ų129135.2 Ų135.279%0.79172%0.716SS**  trans-147.844.3-168.8-27.10000113.5
28L30.1Very low29.8Very low147 Ų147136.4 Ų136.477%0.7772%0.722SS**  trans-159.192.6177.3-111.8160.4000111.2
29L30.3Very low30.1Very low152 Ų152131.3 Ų131.380%0.79671%0.707SS**  trans-177.442.2155.1-104.6166.5000113.8
30R29.3Very low30.6Very low237 Ų237130.6 Ų130.689%0.89470%0.696SS**SBendtrans-109137.7154.8-84.7-178.8168.7172.1-3.7107.3
31K27.6Very low30.9Very low163 Ų163129 Ų12971%0.70969%0.686SS**SBendtrans74.673.5-179.7-51.6176.8-179.6176.90117.3
32S28.5Very low31.2Very low84 Ų84124.7 Ų124.759%0.58768%0.675SS**  trans-152.6107148.145.60000111.7T34S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 2.86Å
33K28.8Very low31.7Very low196 Ų196120.7 Ų120.785%0.85266%0.662SS**  trans-90.670.7166.7-93-170.3173.8-177.50108.7
34T28.5Very low32.2Very low114 Ų114122.4 Ų122.470%0.69966%0.659SS**SBendtrans-143.4139.1175.413.90000108.5S32 M36S32-T34 VanDerWaalsContact C-N 3.33Å; S32-T34 PolarHBondContact O-N 2.86Å; T34-M36 PolarHBondContact O-N 3.27Å
35L30.4Very low32.9Very low171 Ų171123.2 Ų123.290%0.89566%0.662SS**PPolyproline II helixtrans-69.9119.2178.9-71.979.9000108.5
36M30.5Very low33.5Very low122 Ų122122.2 Ų122.260%0.60165%0.653SS**PPolyproline II helixtrans-60.4140.4159.9-74.7179.86500108.6T34 D40T34-M36 PolarHBondContact O-N 3.27Å; M36-D40 HydrophobicContact CE-CB 3.62Å
37S31.7Very low34.2Very low64 Ų64122.1 Ų122.145%0.44865%0.645SS.*PPolyproline II helixtrans-70.2156.7174.984.20000109.9G39 D40S37-G39 PolarHBondContact O-N 3.19Å; S37-G39 VanDerWaalsContact O-N 3.1Å; S37-G39 PolarHBondContact OG-N 3.29Å; S37-D40 VanDerWaalsContact CB-OD2 3.32Å; S37-D40 WeakPolarHBondContact CB-OD2 3.5Å; S37-D40 PolarHBondContact N-OD2 3.04Å; S37-D40 VanDerWaalsContact N-OD2 3.14Å; S37-D40 PolarHBondContact O-N 3.42Å; S37-D40 PolarHBondContact OG-N 3.26Å; S37-D40 PolarHBondContact OG-OD2 3.27Å
38N36.2Very low34.9Very low157 Ų157122.7 Ų122.784%0.8463%0.633SS**THydrogen-bonded Turntrans-61.7-18.2174.1-69.7-26.2000112.6T41N38-T41 PolarHBondContact O-OG1 2.94Å
39G37.5Very low35.6Very low45 Ų45122.4 Ų122.446%0.46463%0.628SS.*THydrogen-bonded Turntrans-75.5-32.7176.600000113.9S37 T41 S42S37-G39 PolarHBondContact O-N 3.19Å; S37-G39 VanDerWaalsContact O-N 3.1Å; S37-G39 PolarHBondContact OG-N 3.29Å; G39-T41 VanDerWaalsContact C-N 3.31Å; G39-T41 PolarHBondContact O-N 2.99Å; G39-S42 PolarHBondContact O-OG 3.34Å
40D37.4Very low36Very low82 Ų82121 Ų12144%0.43962%0.621SS.*Hα-helixtrans-72.6-28.2-177.8-57.2-66000112.1M36 S37 S42 F44M36-D40 HydrophobicContact CE-CB 3.62Å; S37-D40 VanDerWaalsContact CB-OD2 3.32Å; S37-D40 WeakPolarHBondContact CB-OD2 3.5Å; S37-D40 PolarHBondContact N-OD2 3.04Å; S37-D40 VanDerWaalsContact N-OD2 3.14Å; S37-D40 PolarHBondContact O-N 3.42Å; S37-D40 PolarHBondContact OG-N 3.26Å; S37-D40 PolarHBondContact OG-OD2 3.27Å; D40-S42 PolarHBondContact O-N 3.29Å; D40-F44 PolarHBondContact O-N 3.13Å; D40-F44 VanDerWaalsContact O-N 3.14Å
41T37.1Very low36.4Very low76 Ų76117.4 Ų117.447%0.46661%0.612SS.*Hα-helixtrans-65.6-30.2-179.920.30000114.5N38 G39 V45N38-T41 PolarHBondContact O-OG1 2.94Å; G39-T41 VanDerWaalsContact C-N 3.31Å; G39-T41 PolarHBondContact O-N 2.99Å; T41-V45 WeakPolarHBondContact O-CG2 2.85Å
42S35.8Very low36.6Very low78 Ų78117.4 Ų117.455%0.54562%0.62SS.*Hα-helixtrans-75.9-48.2175.852.20000111.2G39 D40 F44 V45 E46G39-S42 PolarHBondContact O-OG 3.34Å; D40-S42 PolarHBondContact O-N 3.29Å; S42-F44 VanDerWaalsContact C-N 3.25Å; S42-F44 PolarHBondContact O-N 3.16Å; S42-V45 PolarHBondContact O-N 2.79Å; S42-V45 VanDerWaalsContact O-N 3.09Å; S42-E46 PolarHBondContact O-N 3.3Å
43A39.2Very low37Very low51 Ų51116.8 Ų116.842%0.42162%0.62SS.*Hα-helixtrans-59.3-33.8179.500000113.1K47A43-K47 WeakPolarHBondContact O-CB 3.15Å; A43-K47 PolarHBondContact O-N 3.43Å; A43-K47 VanDerWaalsContact O-N 3.11Å
44F37.5Very low37.4Very low125 Ų125114.4 Ų114.455%0.54862%0.622SS.*Hα-helixtrans-68.5-40.5175.3-165.5-89.8000112.7D40 S42 W48D40-F44 PolarHBondContact O-N 3.13Å; D40-F44 VanDerWaalsContact O-N 3.14Å; S42-F44 VanDerWaalsContact C-N 3.25Å; S42-F44 PolarHBondContact O-N 3.16Å; F44-W48 AromaticContact CE1-CD1 3.69Å; F44-W48 AromaticContact CE1-NE1 3.64Å; F44-W48 AromaticContact CZ-NE1 3.78Å; F44-W48 PolarHBondContact O-N 3.31Å
45V44.9Very low37.8Very low78 Ų78113.5 Ų113.547%0.47361%0.613SS.*Hα-helixtrans-69.6-42.4177.21730000111T41 S42 K47 W48 Q49T41-V45 WeakPolarHBondContact O-CG2 2.85Å; S42-V45 PolarHBondContact O-N 2.79Å; S42-V45 VanDerWaalsContact O-N 3.09Å; V45-K47 PolarHBondContact O-N 3.38Å; V45-W48 PolarHBondContact O-N 3.34Å; V45-W48 VanDerWaalsContact O-N 3.07Å; V45-Q49 PolarHBondContact O-N 3.28Å
46E42.6Very low38.2Very low122 Ų122115.8 Ų115.857%0.5761%0.61SS**Hα-helixtrans-65.8-36.8180-167.3171.5-14800112.2S42 W48 Q49 N50S42-E46 PolarHBondContact O-N 3.3Å; E46-W48 VanDerWaalsContact C-N 3.3Å; E46-W48 PolarHBondContact O-N 3.04Å; E46-Q49 PolarHBondContact O-N 2.95Å; E46-N50 PolarHBondContact O-N 3.44Å; E46-N50 PolarHBondContact O-ND2 2.99Å
47K46Very low38.7Very low171 Ų171118 Ų11874%0.74362%0.619SS**Hα-helixtrans-65-29170.3-87.1-177174.41750113.7A43 V45A43-K47 WeakPolarHBondContact O-CB 3.15Å; A43-K47 PolarHBondContact O-N 3.43Å; A43-K47 VanDerWaalsContact O-N 3.11Å; V45-K47 PolarHBondContact O-N 3.38Å
48W43Very low39.4Very low141 Ų141117.6 Ų117.653%0.53461%0.611SS.*Hα-helixtrans-80-33.9176.1-96.887000113.2F44 V45 E46F44-W48 AromaticContact CE1-CD1 3.69Å; F44-W48 AromaticContact CE1-NE1 3.64Å; F44-W48 AromaticContact CZ-NE1 3.78Å; F44-W48 PolarHBondContact O-N 3.31Å; V45-W48 PolarHBondContact O-N 3.34Å; V45-W48 VanDerWaalsContact O-N 3.07Å; E46-W48 VanDerWaalsContact C-N 3.3Å; E46-W48 PolarHBondContact O-N 3.04Å
49Q44.4Very low40Very low142 Ų142117 Ų11766%0.66460%0.601SS**Hα-helixtrans-71.9-32.9176.6-73-178.4-20.200112.8V45 E46 K51V45-Q49 PolarHBondContact O-N 3.28Å; E46-Q49 PolarHBondContact O-N 2.95Å; Q49-K51 VanDerWaalsContact C-N 3.32Å; Q49-K51 PolarHBondContact O-N 2.88Å
50N39.3Very low40.6Very low121 Ų121117.2 Ų117.265%0.64760%0.603SS**THydrogen-bonded Turntrans-77.9-6-179.3-78-76.7000115.1E46 N52E46-N50 PolarHBondContact O-N 3.44Å; E46-N50 PolarHBondContact O-ND2 2.99Å; N50-N52 PolarHBondContact O-N 3.28Å
51K38.4Very low41.2Very low162 Ų162116.1 Ų116.170%0.70461%0.606SS**  trans-89.377.9172.7-83.5-163.5170-169.20112.1Q49 A53Q49-K51 VanDerWaalsContact C-N 3.32Å; Q49-K51 PolarHBondContact O-N 2.88Å; K51-A53 PolarHBondContact O-N 3.03Å
52N31.4Very low41.7Very low163 Ų163117 Ų11787%0.87260%0.6SS**  trans-67.488.9164.4-77.7-25.7000110.6N50N50-N52 PolarHBondContact O-N 3.28Å
53A35.7Very low42.6Very low71 Ų71119.8 Ų119.859%0.58760%0.599SS**  trans-121.3127.2169.300000109.1K51 N55K51-A53 PolarHBondContact O-N 3.03Å; A53-N55 PolarHBondContact O-N 3.38Å
54T38.2Very low43.6Very low146 Ų146122.3 Ų122.390%0.89661%0.605SS**  trans-8017.6-159.943.30000115.7R56T54-R56 PolarHBondContact O-N 2.94Å; T54-R56 VanDerWaalsContact O-N 3.13Å
55N35.6Very low44.7Very low96 Ų96119.1 Ų119.151%0.51360%0.602SS.*  trans-75.1107.4-173.7-167.2-17.7000112.2A53 Q57 D58A53-N55 PolarHBondContact O-N 3.38Å; N55-Q57 PolarHBondContact O-N 2.71Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.35Å; N55-Q57 PolarHBondContact OD1-N 2.96Å; N55-Q57 VanDerWaalsContact OD1-N 3.08Å; N55-D58 PolarHBondContact O-N 3.08Å
56R39.2Very low45.7Very low219 Ų219121.4 Ų121.483%0.82661%0.611SS**G310 helixtrans-58.4-27.5-179.6-71.9-177.5173.9-175.3-2.2113.5T54T54-R56 PolarHBondContact O-N 2.94Å; T54-R56 VanDerWaalsContact O-N 3.13Å
57Q40.5Very low46.9Very low169 Ų169121.5 Ų121.579%0.7961%0.609SS**G310 helixtrans-70.6-29.4-176.2-65177.7-34.300113.2N55 K59N55-Q57 PolarHBondContact O-N 2.71Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.35Å; N55-Q57 PolarHBondContact OD1-N 2.96Å; N55-Q57 VanDerWaalsContact OD1-N 3.08Å; Q57-K59 PolarHBondContact O-N 3.39Å
58D47.9Very low47.9Very low54 Ų54117 Ų11729%0.28959%0.593SS.*G310 helixtrans-73.1-9-175.4-168.734.8000113.7N55 G60 A61 R62N55-D58 PolarHBondContact O-N 3.08Å; D58-G60 VanDerWaalsContact C-N 3.25Å; D58-G60 PolarHBondContact O-N 2.95Å; D58-A61 PolarHBondContact O-N 3.04Å; D58-R62 WeakPolarHBondContact O-CG 3.21Å; D58-R62 PolarHBondContact O-N 3.49Å; D58-R62 VanDerWaalsContact O-N 3.14Å; D58-R62 IonicContact OD2-CZ 2.76Å; D58-R62 IonicContact OD2-NE 3.18Å; D58-R62 PolarHBondContact OD2-NE 3.42Å; D58-R62 IonicContact OD2-NH2 2.72Å; D58-R62 PolarHBondContact OD2-NH2 3.1Å
59K47.8Very low48.8Very low145 Ų145114 Ų11463%0.6358%0.584SS**Hα-helixtrans-59.7-33.3177.5-72.9-174.8175.2-175.90113Q57 R63Q57-K59 PolarHBondContact O-N 3.39Å; K59-R63 WeakPolarHBondContact O-CB 3.49Å; K59-R63 WeakPolarHBondContact O-CG 3.38Å; K59-R63 PolarHBondContact O-N 3Å; K59-R63 VanDerWaalsContact O-N 3.15Å
60G50.2Low50Low49 Ų49111.6 Ų111.651%0.50557%0.573SS.*Hα-helixtrans-67-52.8178.400000112.3D58 R62 R63 L64D58-G60 VanDerWaalsContact C-N 3.25Å; D58-G60 PolarHBondContact O-N 2.95Å; G60-R62 PolarHBondContact O-N 2.99Å; G60-R63 PolarHBondContact O-N 3.22Å; G60-L64 PolarHBondContact O-N 3.01Å
61A49.8Very low51.1Low60 Ų60110.4 Ų110.450%0.49656%0.562SS.*Hα-helixtrans-59.6-43.4178.800000112.2D58 R63 L64 A65D58-A61 PolarHBondContact O-N 3.04Å; A61-R63 PolarHBondContact O-N 3.28Å; A61-L64 PolarHBondContact O-N 2.88Å; A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 2.9Å
62R48.2Very low52.2Low93 Ų93108.5 Ų108.535%0.35155%0.554SS.*Hα-helixtrans-61.3-42.3175.3-67.6-177.3-167.3-150.93.3112.7D58 G60 L66D58-R62 WeakPolarHBondContact O-CG 3.21Å; D58-R62 PolarHBondContact O-N 3.49Å; D58-R62 VanDerWaalsContact O-N 3.14Å; D58-R62 IonicContact OD2-CZ 2.76Å; D58-R62 IonicContact OD2-NE 3.18Å; D58-R62 PolarHBondContact OD2-NE 3.42Å; D58-R62 IonicContact OD2-NH2 2.72Å; D58-R62 PolarHBondContact OD2-NH2 3.1Å; G60-R62 PolarHBondContact O-N 2.99Å; R62-L66 WeakPolarHBondContact O-CG 3.43Å; R62-L66 PolarHBondContact O-N 3.32Å; R62-L66 VanDerWaalsContact O-N 3.09Å
63R54.3Low53.5Low138 Ų138108.4 Ų108.452%0.52154%0.541SS..Hα-helixtrans-64.5-43175.7-79.3179.9170.2-167.8-2.4111.8K59 G60 A61 L66 F67K59-R63 WeakPolarHBondContact O-CB 3.49Å; K59-R63 WeakPolarHBondContact O-CG 3.38Å; K59-R63 PolarHBondContact O-N 3Å; K59-R63 VanDerWaalsContact O-N 3.15Å; G60-R63 PolarHBondContact O-N 3.22Å; A61-R63 PolarHBondContact O-N 3.28Å; R63-L66 PolarHBondContact O-N 3.09Å; R63-F67 WeakPolarHBondContact O-CB 3.44Å; R63-F67 PolarHBondContact O-N 3.14Å
64L61.2Low54.2Low103 Ų103111.3 Ų111.354%0.53954%0.537SS..Hα-helixtrans-64.8-41.8177.2-178.160.7000112.2G60 A61 F67 I68G60-L64 PolarHBondContact O-N 3.01Å; A61-L64 PolarHBondContact O-N 2.88Å; L64-F67 WeakPolarHBondContact O-CB 3.41Å; L64-F67 PolarHBondContact O-N 2.85Å; L64-I68 HydrophobicContact CD1-CD1 4.1Å; L64-I68 HydrophobicContact CD1-CG1 4.37Å; L64-I68 HydrophobicContact CG-CD1 3.98Å; L64-I68 WeakPolarHBondContact O-CG1 3.46Å; L64-I68 PolarHBondContact O-N 3.47Å
65A59.6Low54.4Low59 Ų59108.1 Ų108.149%0.48853%0.526SS..Hα-helixtrans-61.4-45.2175.900000112A61 F67 I68 E69A61-A65 WeakPolarHBondContact O-CB 3.48Å; A61-A65 PolarHBondContact O-N 2.9Å; A65-F67 VanDerWaalsContact C-N 3.35Å; A65-F67 PolarHBondContact O-N 3.33Å; A65-I68 PolarHBondContact O-N 3.28Å; A65-E69 PolarHBondContact O-N 2.91Å
66L67.3Low54.8Low126 Ų126112 Ų11266%0.6654%0.538SS*.Hα-helixtrans-63.8-37.7175-72.3169000112.4R62 R63 E69 H70R62-L66 WeakPolarHBondContact O-CG 3.43Å; R62-L66 PolarHBondContact O-N 3.32Å; R62-L66 VanDerWaalsContact O-N 3.09Å; R63-L66 PolarHBondContact O-N 3.09Å; L66-E69 PolarHBondContact O-N 3.47Å; L66-H70 WeakPolarHBondContact O-CB 3.42Å; L66-H70 PolarHBondContact O-N 3.36Å
67F66.6Low55.1Low124 Ų124105.4 Ų105.454%0.54453%0.526SS..Hα-helixtrans-63.7-46.1174.9-178.5-93.3000111.7R63 L64 A65 H70 F71R63-F67 WeakPolarHBondContact O-CB 3.44Å; R63-F67 PolarHBondContact O-N 3.14Å; L64-F67 WeakPolarHBondContact O-CB 3.41Å; L64-F67 PolarHBondContact O-N 2.85Å; A65-F67 VanDerWaalsContact C-N 3.35Å; A65-F67 PolarHBondContact O-N 3.33Å; F67-H70 WeakPolarHBondContact O-CB 3.47Å; F67-H70 PolarHBondContact O-N 3.26Å; F67-H70 VanDerWaalsContact O-N 3.16Å; F67-F71 HydrophobicContact CD1-CD2 4.12Å; F67-F71 HydrophobicContact CD1-CE2 4.35Å; F67-F71 HydrophobicContact CD2-CE2 4.36Å; F67-F71 AromaticContact CE1-CD2 3.84Å; F67-F71 HydrophobicContact CE1-CD2 3.84Å; F67-F71 AromaticContact CE1-CE2 3.7Å; F67-F71 HydrophobicContact CE1-CE2 3.7Å; F67-F71 HydrophobicContact CE2-CD2 4.3Å; F67-F71 AromaticContact CE2-CE2 3.71Å; F67-F71 HydrophobicContact CE2-CE2 3.71Å; F67-F71 HydrophobicContact CG-CD2 4.47Å; F67-F71 AromaticContact CZ-CD2 3.94Å; F67-F71 HydrophobicContact CZ-CD2 3.94Å; F67-F71 AromaticContact CZ-CE2 3.35Å; F67-F71 HydrophobicContact CZ-CE2 3.35Å; F67-F71 HydrophobicContact CZ-CZ 4.13Å; F67-F71 PolarHBondContact O-N 3.09Å
68I68.2Low54.9Low77 Ų77101.5 Ų101.540%0.39552%0.522SS..Hα-helixtrans-64.1-40.8176.3-68.2166.5000111.2L64 A65 H70 F71 K72L64-I68 HydrophobicContact CD1-CD1 4.1Å; L64-I68 HydrophobicContact CD1-CG1 4.37Å; L64-I68 HydrophobicContact CG-CD1 3.98Å; L64-I68 WeakPolarHBondContact O-CG1 3.46Å; L64-I68 PolarHBondContact O-N 3.47Å; A65-I68 PolarHBondContact O-N 3.28Å; I68-H70 VanDerWaalsContact C-N 3.35Å; I68-F71 PolarHBondContact O-N 3.27Å; I68-K72 HydrophobicContact CG2-CD 4.27Å; I68-K72 WeakPolarHBondContact O-CG 3.43Å; I68-K72 PolarHBondContact O-N 3.36Å
69E62.1Low54.2Low76 Ų76102.2 Ų102.236%0.35553%0.526SS..Hα-helixtrans-60.9-42.9171.4-109.7-66.5100.800111.7A65 L66 F71 K72 R73A65-E69 PolarHBondContact O-N 2.91Å; L66-E69 PolarHBondContact O-N 3.47Å; E69-F71 VanDerWaalsContact C-N 3.34Å; E69-F71 PolarHBondContact O-N 3.29Å; E69-K72 PolarHBondContact O-N 3.16Å; E69-R73 WeakPolarHBondContact O-CG 3.25Å; E69-R73 PolarHBondContact O-N 3.03Å; E69-R73 IonicContact OE2-CZ 2.61Å; E69-R73 IonicContact OE2-NE 2.73Å; E69-R73 PolarHBondContact OE2-NE 3.01Å; E69-R73 IonicContact OE2-NH2 3.18Å; E69-R73 PolarHBondContact OE2-NH2 3.24Å
70H67.6Low53.4Low93 Ų93100.6 Ų100.643%0.43153%0.53SS..Hα-helixtrans-63.3-39.7177.9-165.4-3.1000112L66 F67 I68 R73 R74L66-H70 WeakPolarHBondContact O-CB 3.42Å; L66-H70 PolarHBondContact O-N 3.36Å; F67-H70 WeakPolarHBondContact O-CB 3.47Å; F67-H70 PolarHBondContact O-N 3.26Å; F67-H70 VanDerWaalsContact O-N 3.16Å; I68-H70 VanDerWaalsContact C-N 3.35Å; H70-R73 PolarHBondContact O-N 3.43Å; H70-R74 PolarHBondContact CE1-NE 3.32Å; H70-R74 PolarHBondContact CE1-NH2 3.14Å; H70-R74 PolarHBondContact ND1-NE 2.87Å; H70-R74 PolarHBondContact NE2-NE 3.04Å; H70-R74 PolarHBondContact NE2-NH2 2.6Å; H70-R74 WeakPolarHBondContact O-CG 3.27Å; H70-R74 PolarHBondContact O-N 3.31Å
71F62.9Low52.4Low96 Ų96102.7 Ų102.742%0.42154%0.537SS..Hα-helixtrans-66.1-42.6173.2-94-96.5000112.3F67 I68 E69 R73 R74 A75F67-F71 HydrophobicContact CD1-CD2 4.12Å; F67-F71 HydrophobicContact CD1-CE2 4.35Å; F67-F71 HydrophobicContact CD2-CE2 4.36Å; F67-F71 AromaticContact CE1-CD2 3.84Å; F67-F71 HydrophobicContact CE1-CD2 3.84Å; F67-F71 AromaticContact CE1-CE2 3.7Å; F67-F71 HydrophobicContact CE1-CE2 3.7Å; F67-F71 HydrophobicContact CE2-CD2 4.3Å; F67-F71 AromaticContact CE2-CE2 3.71Å; F67-F71 HydrophobicContact CE2-CE2 3.71Å; F67-F71 HydrophobicContact CG-CD2 4.47Å; F67-F71 AromaticContact CZ-CD2 3.94Å; F67-F71 HydrophobicContact CZ-CD2 3.94Å; F67-F71 AromaticContact CZ-CE2 3.35Å; F67-F71 HydrophobicContact CZ-CE2 3.35Å; F67-F71 HydrophobicContact CZ-CZ 4.13Å; F67-F71 PolarHBondContact O-N 3.09Å; I68-F71 PolarHBondContact O-N 3.27Å; E69-F71 VanDerWaalsContact C-N 3.34Å; E69-F71 PolarHBondContact O-N 3.29Å; F71-R73 VanDerWaalsContact C-N 3.29Å; F71-R73 PolarHBondContact O-N 3.28Å; F71-R74 PolarHBondContact O-N 3.5Å; F71-A75 WeakPolarHBondContact O-CB 3.5Å; F71-A75 PolarHBondContact O-N 3.23Å
72K62.9Low51.6Low121 Ų121106.1 Ų106.153%0.52655%0.547SS..Hα-helixtrans-60-37.1173.1-74.6173179.4176.90112.5I68 E69 K76I68-K72 HydrophobicContact CG2-CD 4.27Å; I68-K72 WeakPolarHBondContact O-CG 3.43Å; I68-K72 PolarHBondContact O-N 3.36Å; E69-K72 PolarHBondContact O-N 3.16Å; K72-K76 WeakPolarHBondContact O-CG 3.36Å; K72-K76 PolarHBondContact O-N 3.3Å
73R57.7Low50.9Low161 Ų161110.5 Ų110.561%0.60857%0.569SS**Hα-helixtrans-69.1-46.6174.2-69.4176.1-166-153.42.4112E69 H70 F71 A75 K76 S77E69-R73 WeakPolarHBondContact O-CG 3.25Å; E69-R73 PolarHBondContact O-N 3.03Å; E69-R73 IonicContact OE2-CZ 2.61Å; E69-R73 IonicContact OE2-NE 2.73Å; E69-R73 PolarHBondContact OE2-NE 3.01Å; E69-R73 IonicContact OE2-NH2 3.18Å; E69-R73 PolarHBondContact OE2-NH2 3.24Å; H70-R73 PolarHBondContact O-N 3.43Å; F71-R73 VanDerWaalsContact C-N 3.29Å; F71-R73 PolarHBondContact O-N 3.28Å; R73-A75 PolarHBondContact O-N 2.98Å; R73-K76 CarbonylContact O-C 3.31Å; R73-K76 PolarHBondContact O-N 3.42Å; R73-K76 VanDerWaalsContact O-N 3.16Å; R73-S77 PolarHBondContact O-N 2.89Å; R73-S77 VanDerWaalsContact O-N 3.07Å; R73-S77 PolarHBondContact O-OG 2.73Å
74R50Low49.7Very low133 Ų133108.2 Ų108.250%0.50258%0.579SS.*Hα-helixtrans-62.4-42.4176.5-71.5-173.1-153-157.62.2112.2H70 F71 K76 S77 A78H70-R74 PolarHBondContact CE1-NE 3.32Å; H70-R74 PolarHBondContact CE1-NH2 3.14Å; H70-R74 PolarHBondContact ND1-NE 2.87Å; H70-R74 PolarHBondContact NE2-NE 3.04Å; H70-R74 PolarHBondContact NE2-NH2 2.6Å; H70-R74 WeakPolarHBondContact O-CG 3.27Å; H70-R74 PolarHBondContact O-N 3.31Å; F71-R74 PolarHBondContact O-N 3.5Å; R74-K76 PolarHBondContact O-N 3.33Å; R74-S77 WeakPolarHBondContact CA-OG 3.41Å; R74-S77 CarbonylContact O-C 3.57Å; R74-S77 PolarHBondContact O-N 2.86Å; R74-S77 PolarHBondContact O-OG 3.45Å; R74-A78 WeakPolarHBondContact O-CB 3.32Å; R74-A78 PolarHBondContact O-N 3.2Å
75A43.1Very low48.1Very low79 Ų79109 Ų10965%0.65359%0.588SS**Hα-helixtrans-61.3-30.9175.600000112.6F71 R73F71-A75 WeakPolarHBondContact O-CB 3.5Å; F71-A75 PolarHBondContact O-N 3.23Å; R73-A75 PolarHBondContact O-N 2.98Å
76K44.9Very low46.6Very low177 Ų177115.9 Ų115.977%0.7761%0.607SS**Hα-helixtrans-82.2-13.7173.1-74.2179.5177-177.30114.5K72 R73 R74K72-K76 WeakPolarHBondContact O-CG 3.36Å; K72-K76 PolarHBondContact O-N 3.3Å; R73-K76 CarbonylContact O-C 3.31Å; R73-K76 PolarHBondContact O-N 3.42Å; R73-K76 VanDerWaalsContact O-N 3.16Å; R74-K76 PolarHBondContact O-N 3.33Å
77S43.5Very low44.6Very low81 Ų81120.8 Ų120.857%0.56662%0.618SS**Hα-helixtrans-107.6-4.7179.173.40000114.1R73 R74 D79R73-S77 PolarHBondContact O-N 2.89Å; R73-S77 VanDerWaalsContact O-N 3.07Å; R73-S77 PolarHBondContact O-OG 2.73Å; R74-S77 WeakPolarHBondContact CA-OG 3.41Å; R74-S77 CarbonylContact O-C 3.57Å; R74-S77 PolarHBondContact O-N 2.86Å; R74-S77 PolarHBondContact O-OG 3.45Å; S77-D79 VanDerWaalsContact C-N 3.35Å
78A37.7Very low42.7Very low86 Ų86123 Ų12371%0.71164%0.636SS**SBendtrans-79-12.9-177.800000114.3R74R74-A78 WeakPolarHBondContact O-CB 3.32Å; R74-A78 PolarHBondContact O-N 3.2Å
79D31.7Very low40.7Very low70 Ų70122.5 Ų122.537%0.37465%0.65SS.*  trans-136.394.5170.2-175.25.7000111.8S77 S81 N82S77-D79 VanDerWaalsContact C-N 3.35Å; D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 WeakPolarHBondContact OD1-CA 3.06Å; D79-S81 WeakPolarHBondContact OD1-CB 3.19Å; D79-S81 PolarHBondContact OD1-N 3.09Å; D79-S81 PolarHBondContact OD1-OG 2.74Å; D79-N82 PolarHBondContact OD1-N 2.64Å; D79-N82 WeakPolarHBondContact OD2-CB 3.48Å; D79-N82 PolarHBondContact OD2-ND2 2.98Å
80P31.3Very low39.1Very low111 Ų111124.1 Ų124.172%0.72166%0.66SS**  trans-82.3-7.2166.8-11.729.7000113.7
81S30.9Very low37.1Very low92 Ų92127.8 Ų127.864%0.64368%0.677SS**SBendtrans-90.3-29.5-163.170.30000114.7D79 K83D79-S81 VanDerWaalsContact C-N 3.33Å; D79-S81 WeakPolarHBondContact OD1-CA 3.06Å; D79-S81 WeakPolarHBondContact OD1-CB 3.19Å; D79-S81 PolarHBondContact OD1-N 3.09Å; D79-S81 PolarHBondContact OD1-OG 2.74Å; S81-K83 PolarHBondContact O-N 3.4Å
82N31.6Very low35.5Very low132 Ų132127.4 Ų127.471%0.70669%0.687SS**THydrogen-bonded Turntrans-8817.7-177.9-79.7-55.1000115.7D79D79-N82 PolarHBondContact OD1-N 2.64Å; D79-N82 WeakPolarHBondContact OD2-CB 3.48Å; D79-N82 PolarHBondContact OD2-ND2 2.98Å
83K33.4Very low33.7Very low186 Ų186131.4 Ų131.481%0.80970%0.698SS**THydrogen-bonded Turntrans-103.17.8-177.8-78.7-175.3175.1175.40116S81S81-K83 PolarHBondContact O-N 3.4Å
84A28.8Very low32.3Very low89 Ų89130.5 Ų130.574%0.73671%0.706SS**SBendtrans-105.2-3.6-170.100000116.1
85V28.4Very low31.2Very low121 Ų121130.9 Ų130.973%0.73372%0.718SS**SBendtrans-135.647.5-167.1-157.90000113.8
86F28.1Very low30.6Very low202 Ų202135.4 Ų135.489%0.88673%0.73SS**  trans-144.151.7163.8-81.9-65.7000112.2
87Y25.5Very low29.8Very low229 Ų229132.6 Ų132.690%0.89873%0.727SS**  trans-125.586.6161.9-105-88.4000108.3
88N27.1Very low29Very low170 Ų170134.6 Ų134.691%0.90974%0.739SS**SBendtrans-167.8145.6153.8-101-24.3000110.4
89G26Very low28.4Very low67 Ų67136.6 Ų136.669%0.69174%0.737SS**  trans-68.5143.7-155.400000118
90I28.5Very low28.1Very low110 Ų110139.5 Ų139.556%0.56476%0.758SS**  -119.5131.8124.8-7694.1000106.7Q481I90-Q481 HydrophobicContact CD1-CG 4.45Å; I90-Q481 HydrophobicContact CG1-CG 4.09Å
91Q26.2Very low28Very low170 Ų170139.9 Ų139.979%0.79475%0.754SS**  trans-83.3145.1168.7-68.7179-11.100109.7
92S27.9Very low27.9Very low89 Ų89142.3 Ų142.362%0.62276%0.758SS**  trans-139.4125.4148.6-171.90000108.4
93R25.5Very low27.9Very low204 Ų204142.7 Ų142.777%0.7776%0.759SS**  trans-77.2147.7175-63.8173.7177.4169.3-2.9108.4
94N29.1Very low27.7Very low142 Ų142140.6 Ų140.676%0.75976%0.757SS**  175.2112.8124.6-85.4-24.7000111.8
95N26Very low27.7Very low142 Ų142141.8 Ų141.876%0.75976%0.76SS**  trans44.2100.4137.3-51.4-5.5000118.5
96L30.1Very low27.8Very low173 Ų173142.9 Ų142.991%0.90676%0.762SS**  -171.1131.7105.7-97.1161.3000110.1
97V28.5Very low27.9Very low118 Ų118141.5 Ų141.572%0.71576%0.758SS**  trans-132.8137.5-177.9174.90000107.6N99V97-N99 HydrophobicContact CG1-CB 3.86Å; V97-N99 VanDerWaalsContact CG1-N 3.34Å
98P26.6Very low28.1Very low124 Ų124136.8 Ų136.881%0.80575%0.748SS**  -122.7125.9121.6-2.522.7000110.9
99N25Very low28Very low127 Ų127138.8 Ų138.868%0.67974%0.744SS**  trans-104.495.6176.4-178.522.8000108.6V97 N101V97-N99 HydrophobicContact CG1-CB 3.86Å; V97-N99 VanDerWaalsContact CG1-N 3.34Å; N99-N101 VanDerWaalsContact C-N 3.29Å; N99-N101 PolarHBondContact O-N 3.25Å
100T26.6Very low28.1Very low132 Ų132141 Ų14181%0.8174%0.744SS**  trans-82.672.6-178.354.10000111.3
101N29.1Very low28Very low119 Ų119143 Ų14364%0.63675%0.751SS**  trans-130.191.3165.6-95.2-35000110.7N99N99-N101 VanDerWaalsContact C-N 3.29Å; N99-N101 PolarHBondContact O-N 3.25Å
102I28.9Very low28.1Very low143 Ų143141 Ų14173%0.73375%0.746SS**  61.2115.3126.9-63170.5000117.7
103L31.4Very low28.1Very low140 Ų140143.6 Ų143.673%0.73375%0.752SS**  trans74111.1157.1-66.6166.2000120.2
104N28Very low28.2Very low142 Ų142137.8 Ų137.876%0.75974%0.743SS**  40.3109.8128.7-51.2-1.5000117.1
105S29.8Very low28.1Very low114 Ų114138.6 Ų138.680%0.79774%0.742SS**  -174.7142.368.735.10000113.8
106N29.1Very low28.2Very low143 Ų143140.6 Ų140.677%0.76574%0.744SS**  trans19130.6149-64-3.1000121.9
107Q31.2Very low27.9Very low173 Ų173138.6 Ų138.681%0.80873%0.734SS**  trans74.2151.2150.5-61.91726.700118.8
108L29.2Very low27.8Very low131 Ų131137.9 Ų137.969%0.68673%0.73SS**  cis-168.9119.6-29.5-108.6176.1000106.9
109Y25.4Very low27.8Very low212 Ų212138.5 Ų138.583%0.83173%0.727SS**  trans58.4174.6154-80-121.8000116.3
110T28.8Very low27.8Very low113 Ų113138.9 Ų138.969%0.69373%0.726SS**  cis-132.3176.1-18.1-23.40000110
111E26.3Very low27.9Very low152 Ų152141.3 Ų141.371%0.7172%0.722SS**  trans-53.9-175.9173.7-50.8167153.300118.1
112N28.6Very low27.7Very low127 Ų127145.9 Ų145.968%0.67973%0.73SS**  trans79.3146.7151.2-63-37.9000118.1
113L27Very low27.7Very low144 Ų144145.7 Ų145.775%0.75473%0.729SS**  cis-162.4167.3-23.4-165.169.6000108.5
114S26.8Very low27.4Very low82 Ų82145.9 Ų145.957%0.57373%0.731SS**  trans55.2122.5145.557.20000122.9
115H27.7Very low27.5Very low160 Ų160146.3 Ų146.374%0.74173%0.728SS**  69.6151.2129.9-73.476.2000122
116F27.3Very low27.5Very low183 Ų183149.2 Ų149.280%0.80373%0.727SS**  trans64.2159.5158.7-66.1-51.7000117.4
117N25.4Very low27.7Very low131 Ų131148.9 Ų148.970%0.70173%0.73SS**  cis-151.6-166.9-39.1-157.6-4.6000108.4
118T25.4Very low27.6Very low103 Ų103148.4 Ų148.463%0.63273%0.733SS**  trans-46.3166.5165.146.80000115.8
119N27.1Very low27.8Very low138 Ų138146.4 Ų146.474%0.73873%0.73SS**  trans94.4115.1172.8-55.4-42.5000113.5
120M25.5Very low28.2Very low135 Ų135144.4 Ų144.467%0.66573%0.728SS**  94.8145.765.2-75.9-101.5-75.500111.2
121Y27.7Very low28.4Very low183 Ų183145.2 Ų145.272%0.71873%0.728SS**  trans67.6131.8-174.7-53.1-77.9000113.1
122R24.9Very low28.6Very low215 Ų215145.9 Ų145.981%0.81173%0.731SS**  cis73.4140.444.4-163.2-155.9-112.1-172.2-2.3111.1
123I29.1Very low28.6Very low139 Ų139147 Ų14771%0.71374%0.736SS**  trans96.3108.7170.1-51.9171.5000115.4
124N26Very low28.8Very low143 Ų143145.8 Ų145.877%0.76573%0.734SS**  trans-35.7155.2161.1-44.9-32.6000116
125Q29.8Very low28.8Very low151 Ų151150.1 Ų150.171%0.70675%0.746SS**  -169.4125114.1-101165115.900112.1
126K29Very low29Very low176 Ų176148.8 Ų148.877%0.76575%0.748SS**  63.1115104-74.4-176.5-172.1166.70116.2
127T34Very low29Very low135 Ų135146 Ų14683%0.82875%0.746SS**  -145.4123.6119.946.40000109.2
128N29.2Very low29.2Very low163 Ų163144.1 Ų144.187%0.87274%0.744SS**  trans25.5144.6155-57.4-13.7000121
129S33.5Very low29.2Very low90 Ų90145.1 Ų145.163%0.62975%0.75SS**  cis-156.9145.12852.30000114.2
130Q32.9Very low29.5Very low170 Ų170145.2 Ų145.279%0.79476%0.756SS**  trans65136.6152.6-63.7165.3-1100117.5
131N32.7Very low29.6Very low129 Ų129145.2 Ų145.269%0.6976%0.763SS**  cis-156.2151.5-1.7-97.1-19.3000111.4
132H31.6Very low29.9Very low166 Ų166141.4 Ų141.477%0.76976%0.76SS**  trans57.7127.2173.5-65.3-78.4000119
133L28.4Very low30Very low152 Ų152136.4 Ų136.480%0.79675%0.754SS**  69.8132.464-104.970.3000113.2
134V30.3Very low30Very low117 Ų117136.2 Ų136.271%0.70975%0.754SS**  cis-138.8167.520.6-179.40000112.7
135Q28.2Very low30.1Very low174 Ų174136.1 Ų136.181%0.81375%0.754SS**  trans-51.9174.3166.7-66.2154.7-71.400114.1
136V31.5Very low30Very low131 Ų131133 Ų13379%0.79475%0.749SS**  -154.7162.755.6178.90000113
137T27.2Very low30Very low124 Ų124134.3 Ų134.376%0.76175%0.75SS**  trans-73.9-175174.550.30000112.2
138S28.6Very low29.9Very low93 Ų93135.6 Ų135.665%0.6575%0.751SS**  cis-165.1157.229.5-36.10000114.1
139T26.7Very low30Very low123 Ų123132.6 Ų132.676%0.75574%0.743SS**  trans12.6133.3145.955.60000121.9
140T32.2Very low30Very low141 Ų141132.5 Ų132.587%0.86574%0.743SS**  -175175.8108.429.20000112.3
141V27.5Very low29.8Very low135 Ų135135 Ų13582%0.81875%0.745SS**  trans-157.9161.8-161.7-177.70000106.8
142P34.9Very low29.8Very low102 Ų102135.6 Ų135.666%0.66275%0.745SS**  cis-124.8-154.1-32.936.3-16.3000112.7
143T27.1Very low29.6Very low110 Ų110132 Ų13268%0.67574%0.739SS**  trans84131.1145.238.70000123.7
144N27.6Very low29.8Very low135 Ų135131.8 Ų131.872%0.72274%0.738SS**  trans76.8151.5143.7-64.1-4.2000121.4
145N29.3Very low29.8Very low141 Ų141131.3 Ų131.375%0.75474%0.74SS**  trans64107.1164-60.5-11000116.5
146S27.4Very low29.9Very low87 Ų87126.3 Ų126.361%0.60873%0.729SS**  88.4164.958.1750000114
147Y29.9Very low29.8Very low203 Ų203129.2 Ų129.280%0.79673%0.727SS**  trans87136.1176.3-63.2-75.1000119.8
148L31.2Very low29.9Very low161 Ų161131 Ų13184%0.84373%0.726SS**  trans65.5142.9158.3-57.6150.7000115.8
149S31.7Very low30Very low101 Ų101131.6 Ų131.671%0.70673%0.726SS**  cis-170159.9-8.3-109.20000107.3
150S32.1Very low30.3Very low88 Ų88130.8 Ų130.862%0.61572%0.721SS**  cis-171.3145.5-7.4-179.50000108.8
151R29.7Very low30.1Very low221 Ų221130.5 Ų130.583%0.83472%0.715SS**  trans60.2156.9159.8-72.3171.5168.7-158.9-3.4117.9
152M32.5Very low30.2Very low142 Ų142131.2 Ų131.270%0.771%0.713SS**  cis-145.8120.9-12.6-104144.366.700104.5
153S28.2Very low30Very low91 Ų91133.4 Ų133.464%0.63672%0.717SS**  63.8106.570.175.70000114.8
154N32.6Very low30.1Very low147 Ų147135.3 Ų135.379%0.78672%0.724SS**  trans158.2109.1139.8-81.14.4000108.2
155S29.2Very low30.3Very low107 Ų107134.8 Ų134.875%0.74873%0.73SS**  7814373.179.40000112.4
156A29.8Very low30.3Very low69 Ų69136 Ų13657%0.5773%0.732SS**  cis-160.2176.111.800000112.6
157Y29.8Very low30.5Very low193 Ų193143.3 Ų143.376%0.75775%0.748SS**  trans43.3118.1145.3-59-52.1000120.1
158E29.1Very low30.5Very low160 Ų160140.6 Ų140.675%0.74875%0.745SS**  90.2159.2104.4-75.1171.7174.200112.8
159T31.5Very low30.5Very low107 Ų107136.6 Ų136.666%0.65674%0.743SS**  cis-147.7154.10.3-4.30000110.3
160T32.2Very low30.3Very low105 Ų105136.5 Ų136.564%0.64474%0.742SS**  trans35.6125145.660.70000122.6
161N28.4Very low30.3Very low136 Ų136141.5 Ų141.573%0.72776%0.756SS**  79.5141.6121.8-66.1-9.8000123.4
162L29.8Very low30.4Very low149 Ų149137.8 Ų137.878%0.7875%0.751SS**  trans85.5145.9134.6-85.2165.9000121.6
163I31.8Very low30.1Very low148 Ų148140.3 Ų140.376%0.75975%0.754SS**  trans78.9109159-63.9151.4000118.2
164N27.4Very low30.2Very low151 Ų151144.2 Ų144.281%0.80777%0.768SS**  trans-25.7139.4152.7-59.1-32.7000116.3
165S32.5Very low30.2Very low123 Ų123148 Ų14886%0.8677%0.772SS**  -160.1152.9116.628.90000110.7
166Q30.2Very low30.3Very low168 Ų168149.2 Ų149.279%0.78578%0.776SS**  trans-83.7145.9-178.4-60140.3-57.400110.6
167Y30.8Very low30.3Very low240 Ų240155.2 Ų155.294%0.94179%0.785SS**  trans-138.6131.9142.9-116-84000110.4
168I29.9Very low30.3Very low145 Ų145151.1 Ų151.174%0.74478%0.781SS**  trans-94.5131.5-171.1-64.6172000109.7
169G30.8Very low30.1Very low78 Ų78148.8 Ų148.880%0.80479%0.789SS**  trans-140.752.3-175.600000113.6Q171G169-Q171 PolarHBondContact O-N 2.83Å
170S28Very low30.1Very low98 Ų98148.3 Ų148.369%0.68579%0.791SS**  trans-76.8112.2-177.957.10000112.9
171Q32.8Very low30Very low194 Ų194150.7 Ų150.791%0.90779%0.792SS**  trans-115.5132.2157-73.1-160.83.300110.7G169G169-Q171 PolarHBondContact O-N 2.83Å
172I31.4Very low30.2Very low142 Ų142151 Ų15173%0.72879%0.789SS**  trans-119.9121.6-167.1-99.3175.5000110.6
173Y26.2Very low30.2Very low195 Ų195149.8 Ų149.877%0.76579%0.79SS**  trans61132.2154-74.1-121.1000119.8
174N30.5Very low30Very low174 Ų174148 Ų14893%0.9379%0.79SS**  -154.998.5128.8-107.3-47.9000111.7
175R32.3Very low30.1Very low227 Ų227146.4 Ų146.486%0.85779%0.791SS**SBendtrans-146135.8162.6-154.8171.3-169.6-177.23.6109.5
176P32Very low30Very low131 Ų131148.7 Ų148.785%0.85179%0.788SS**PPolyproline II helixtrans-69.9134.2-167.1-20.133.3000113.2
177R28.4Very low30Very low196 Ų196148.1 Ų148.174%0.7479%0.79SS**PPolyproline II helixtrans-98.4136.5173.7-160.9173.5-1691694.6109.7
178P29.9Very low30Very low106 Ų106142.1 Ų142.169%0.68878%0.778SS**PPolyproline II helixtrans-64.9145.7178.626.3-34.6000112S180P178-S180 PolarHBondContact O-N 3.38Å; P178-S180 VanDerWaalsContact O-N 3.13Å
179A25.8Very low30Very low111 Ų111140.3 Ų140.392%0.91777%0.774SS**SBendtrans-85.283.1-172.300000112.9
180S31.8Very low30Very low98 Ų98147.4 Ų147.469%0.68578%0.776SS**  trans-151.3106.3164.159.30000111.3P178P178-S180 PolarHBondContact O-N 3.38Å; P178-S180 VanDerWaalsContact O-N 3.13Å
181F30.2Very low30.1Very low155 Ų155151 Ų15168%0.6878%0.782SS**  trans-131.998.9169.9-86.9-77.8000110.6
182H31.8Very low29.9Very low143 Ų143147.8 Ų147.866%0.66277%0.771SS**  trans-113.6143.8138.6-88.1-87.5000106.9S184H182-S184 PolarHBondContact O-N 2.83Å
183P28.9Very low29.8Very low123 Ų123145.6 Ų145.680%0.79977%0.766SS**  trans-73.9124.6-171.129.1-34.1000111.3
184S29Very low29.9Very low109 Ų109146.5 Ų146.576%0.76277%0.77SS**  trans-100.298.3166.9-62.20000108.8H182 Q186H182-S184 PolarHBondContact O-N 2.83Å; S184-Q186 VanDerWaalsContact C-N 3.27Å; S184-Q186 PolarHBondContact O-N 3.18Å
185S29.2Very low29.8Very low118 Ų118147.4 Ų147.483%0.82577%0.766SS**  trans-74.278.3173.549.90000110.6L187S185-L187 PolarHBondContact O-N 3.02Å
186Q31Very low29.6Very low171 Ų171141.2 Ų141.280%0.79976%0.756SS**  trans-81.389.5167.1-77.2-170.6-25.800110S184 V188S184-Q186 VanDerWaalsContact C-N 3.27Å; S184-Q186 PolarHBondContact O-N 3.18Å; Q186-V188 PolarHBondContact O-N 3.25Å
187L29.2Very low29.6Very low157 Ų157142.8 Ų142.882%0.82275%0.752SS**  trans-63.999.3156-85.9164.7000108.3S185 T189S185-L187 PolarHBondContact O-N 3.02Å; L187-T189 PolarHBondContact O-N 2.93Å
188V31.7Very low29.6Very low113 Ų113139.8 Ų139.869%0.68575%0.75SS**  trans-90.380.8162.7-177.60000107.5Q186 R190Q186-V188 PolarHBondContact O-N 3.25Å; V188-R190 VanDerWaalsContact C-N 3.28Å; V188-R190 PolarHBondContact O-N 2.79Å
189T29.4Very low29.6Very low108 Ų108141.7 Ų141.766%0.66376%0.755SS**  trans-68.489.1165.824.50000109.3L187L187-T189 PolarHBondContact O-N 2.93Å
190R30.2Very low29.8Very low227 Ų227140.5 Ų140.586%0.85774%0.74SS**  trans-119.281.3156.7-80.8-164171.2-160.3-2.8109.9V188 N192V188-R190 VanDerWaalsContact C-N 3.28Å; V188-R190 PolarHBondContact O-N 2.79Å; R190-N192 PolarHBondContact O-N 3Å
191H29.6Very low29.8Very low172 Ų172142.1 Ų142.180%0.79675%0.746SS**  trans-57.9113.8147.4-68.1-99000107.5
192N29.7Very low29.7Very low127 Ų127138.7 Ų138.768%0.67974%0.741SS**  -164.7141.4103.7-126.712.5000110.1R190 Y194R190-N192 PolarHBondContact O-N 3Å; N192-Y194 PolarHBondContact O-N 3.35Å
193P28.8Very low29.7Very low97 Ų97142.7 Ų142.763%0.6375%0.752SS**  trans-75.4112.6168.431-29.9000109F195P193-F195 WeakPolarHBondContact O-CB 3.48Å
194Y28.3Very low29.8Very low213 Ų213140.8 Ų140.884%0.83574%0.742SS**  trans-73.9114.8143.7-60.1-92.4000104.1N192N192-Y194 PolarHBondContact O-N 3.35Å
195F27.9Very low30.1Very low194 Ų194141 Ų14185%0.85174%0.735SS**  cis52.25736.9-98.8-68.3000112.6P193P193-F195 WeakPolarHBondContact O-CB 3.48Å
196C29.2Very low30.4Very low97 Ų97142.8 Ų142.866%0.65573%0.73SS**  trans-121.6122.2147.8-81.10000108.5
197H31.3Very low30.7Very low164 Ų164143.7 Ų143.776%0.75973%0.734SS**  trans47.9115.3137.4-62.482.9000117.4
198N29.7Very low30.8Very low132 Ų132142.5 Ų142.571%0.70673%0.728SS**  -158.9151.556-75.3-56.2000113.2
199N29.5Very low30.8Very low146 Ų146142.9 Ų142.978%0.78174%0.735SS**  trans61.5137.6151.2-56.2-5.5000118.6
200S29.1Very low30.9Very low87 Ų87141.9 Ų141.961%0.60873%0.725SS**  cis-165.7152.6-9.4-89.50000108.9
201T31.3Very low31Very low132 Ų132137.8 Ų137.881%0.8172%0.716SS**  trans59.9152.8163.456.50000118.7
202S29.6Very low31.1Very low83 Ų83133.6 Ų133.658%0.5870%0.699SS**  cis-170.6155.8-24.2-86.20000108.6
203Y31.1Very low31Very low226 Ų226132.1 Ų132.189%0.88670%0.698SS**  trans65.1154.4170.3-58.7-74.7000116.6
204S31.9Very low31.3Very low84 Ų84132.3 Ų132.359%0.58770%0.699SS**  cis-167.4-178.6-25.551.20000109.9
205N34.1Very low31.2Very low114 Ų114132.2 Ų132.261%0.6170%0.699SS**  trans71.6114173.4-53.380.5000113.5
206E35.5Very low31.5Very low155 Ų155128.3 Ų128.372%0.72469%0.691SS**  76.2136.671.7-67.8145.5-150.600111.7
207E37.9Very low31.6Very low189 Ų189133.7 Ų133.788%0.88370%0.699SS**  cis-147.1175.110.9-137.6168.6-159.200112
208N30.1Very low31.7Very low133 Ų133128.6 Ų128.671%0.71169%0.691SS**  trans-134.1114.1-169.317331.1000111.5
209C32Very low31.9Very low121 Ų121130.4 Ų130.482%0.81870%0.695SS**  trans-144.8131.2172.4-920000112.8
210N31.4Very low32.1Very low87 Ų87128.5 Ų128.547%0.46569%0.689SS.*  trans-91.4150.1169.3-46.8-96.4000108.3S1065 P1066N210-S1065 PolarHBondContact ND2-O 2.95Å; N210-P1066 WeakPolarHBondContact CB-O 3.39Å; N210-P1066 WeakPolarHBondContact O-CD 3.26Å
211Q33.8Very low32.4Very low140 Ų140130.2 Ų130.265%0.65469%0.692SS**  trans-176.8130140.6-105.2168.2-74.600115.6P1066Q211-P1066 HydrophobicContact CG-CG 3.67Å
212I30.9Very low32.3Very low85 Ų85130 Ų13044%0.43669%0.686SS.*  trans49.9105.5134.4-57167.1000119.4L1067I212-L1067 HydrophobicContact CD1-CB 3.97Å; I212-L1067 HydrophobicContact CD1-CD2 3.56Å; I212-L1067 HydrophobicContact CD1-CG 4.36Å; I212-L1067 HydrophobicContact CG1-CB 3.69Å; I212-L1067 HydrophobicContact CG1-CD2 3.91Å; I212-L1067 HydrophobicContact CG1-CG 4.44Å
213S27.1Very low32.3Very low96 Ų96130.2 Ų130.267%0.67169%0.687SS**  44.5172.3102.5-35.10000121.3
214P36.2Very low32.3Very low101 Ų101128.6 Ų128.666%0.65669%0.685SS**  -130.5-165-94.635.8-14000114.4
215Y26.6Very low32.1Very low210 Ų210135.1 Ų135.182%0.82470%0.698SS**  trans71.4150.8-175.4-61.7-90000113.3
216T33.1Very low32Very low112 Ų112136.3 Ų136.369%0.68771%0.709SS**  -174.1118.880.3-71.70000112
217Y31.1Very low31.7Very low210 Ų210137.5 Ų137.582%0.82472%0.715SS**  trans64.6165.1155.1-69.3-132.8000117
218G34Very low31.2Very low58 Ų58133.4 Ų133.460%0.59870%0.704SS**  cis-128.6173.2-3.700000112
219Q33.2Very low30.9Very low169 Ų169131.2 Ų131.279%0.7970%0.7SS**  61.7129.785.8-64.4-175.6-62.600113.2
220T33.7Very low30.8Very low106 Ų106133.3 Ų133.365%0.6570%0.698SS**  cis-159169.79.9-4.60000112
221D35.6Very low30.7Very low123 Ų123136.4 Ų136.466%0.65871%0.709SS**  trans64.4112.8145.1-61.7-24.3000122.2
222N29.8Very low30.5Very low129 Ų129136.3 Ų136.369%0.6971%0.713SS**  64.7101.1114.6-54.5-34.8000120.7
223S29.2Very low30.5Very low87 Ų87141.5 Ų141.561%0.60873%0.733SS**  81.4165.6113.877.30000118.9
224F32.1Very low30.7Very low191 Ų191144.2 Ų144.284%0.83874%0.738SS**  trans64119.5-167.3-50-81000111.9
225Y27.7Very low30.4Very low221 Ų221146.8 Ų146.887%0.86775%0.746SS**  cis66.984.941.7-150.5-69.9000112
226V32.2Very low30.6Very low139 Ų139144 Ų14484%0.84275%0.745SS**  trans-173.3116.5158.5131.10000109.3
227E28Very low30.5Very low181 Ų181144.9 Ų144.985%0.84675%0.75SS**  trans-72.7159.1146.2-80.5-163.8131.600108
228P27.4Very low30.7Very low102 Ų102140.5 Ų140.566%0.66274%0.74SS**  cis-144-162.323.828.9-1.8000114.2
229S24.5Very low30.6Very low87 Ų87142.6 Ų142.661%0.60874%0.741SS**  trans50.4135.4135.668.10000123.5
230Q29.8Very low30.5Very low166 Ų166141.5 Ų141.578%0.77673%0.731SS**  trans78.8137.3148.3-68.9169.18.500120.5
231Q27.9Very low30.8Very low152 Ų152144 Ų14471%0.7174%0.741SS**  trans46.498.9147.8-69.1161.1-10600119.9
232N31.3Very low30.8Very low137 Ų137140.1 Ų140.173%0.73372%0.723SS**  -178.6136.791.1-84.5-47.4000109.6
233K29.2Very low31.4Very low195 Ų195141 Ų14185%0.84873%0.726SS**  53.662.771.7-88.3-165.2174.8-175.50114.3
234I32.1Very low32.2Very low153 Ų153145.2 Ų145.279%0.78573%0.73SS**  trans-122.2127.3144.9-63.2-177.8000107.3
235N29.5Very low33.2Very low154 Ų154139.9 Ų139.982%0.82471%0.71SS**  trans-75.4133.4174.9-62-31.7000108.9
236N31.7Very low33.4Very low151 Ų151135 Ų13581%0.80769%0.691SS**  trans-141.6140.7154.7-108.8-31.3000110.2I238N236-I238 PolarHBondContact O-N 2.84Å
237V29.7Very low33.8Very low131 Ų131131.7 Ų131.779%0.79467%0.672SS**  trans-79.8117.7-169178.60000109.7T239V237-T239 HydrophobicContact CG1-CG2 4.24Å
238I35.3Very low34.5Very low119 Ų119129 Ų12961%0.6167%0.67SS**  trans-109.8111.7164.7-61.5179.3000107.2N236 Y240N236-I238 PolarHBondContact O-N 2.84Å; I238-Y240 HydrophobicContact CB-CE2 4.15Å; I238-Y240 HydrophobicContact CG2-CD2 4.36Å; I238-Y240 HydrophobicContact CG2-CE1 4.25Å; I238-Y240 HydrophobicContact CG2-CE2 3.95Å; I238-Y240 WeakPolarHBondContact O-CD2 3.15Å; I238-Y240 PolarHBondContact O-N 3.25Å
239T31.9Very low35.3Very low101 Ų101131.5 Ų131.562%0.6268%0.678SS**  trans-75.3105.317542.60000109.9V237 D241V237-T239 HydrophobicContact CG1-CG2 4.24Å; T239-D241 PolarHBondContact O-N 2.86Å
240Y32.2Very low36.3Very low147 Ų147133.2 Ų133.258%0.57668%0.68SS**  trans-83.788172.3-66.4-84000109.9I238 S242I238-Y240 HydrophobicContact CB-CE2 4.15Å; I238-Y240 HydrophobicContact CG2-CD2 4.36Å; I238-Y240 HydrophobicContact CG2-CE1 4.25Å; I238-Y240 HydrophobicContact CG2-CE2 3.95Å; I238-Y240 WeakPolarHBondContact O-CD2 3.15Å; I238-Y240 PolarHBondContact O-N 3.25Å; Y240-S242 PolarHBondContact O-N 3.5Å
241D40.1Very low36.4Very low159 Ų159129.4 Ų129.485%0.8567%0.672SS**  trans-68.912.3-178.8-65-32.7000114.5T239T239-D241 PolarHBondContact O-N 2.86Å
242S35.4Very low36.8Very low40 Ų40125.4 Ų125.428%0.2866%0.659SS.*  trans-145.6128.3-169.5159.70000111.3Y240 Y244 D245Y240-S242 PolarHBondContact O-N 3.5Å; S242-Y244 PolarHBondContact O-N 3.38Å; S242-Y244 VanDerWaalsContact O-N 3.14Å; S242-Y244 PolarHBondContact OG-N 2.92Å; S242-D245 WeakPolarHBondContact CB-OD2 3.37Å; S242-D245 PolarHBondContact OG-OD2 2.89Å
243I43Very low36.8Very low149 Ų149129.7 Ų129.776%0.76467%0.666SS**THydrogen-bonded Turntrans-66.6-13.4178.2-57.2169.3000111.4
244Y45.2Very low37.2Very low174 Ų174126.5 Ų126.568%0.68267%0.665SS**THydrogen-bonded Turntrans-93.2-7.7-168.9-66.1-74000115.4S242 R1087S242-Y244 PolarHBondContact O-N 3.38Å; S242-Y244 VanDerWaalsContact O-N 3.14Å; S242-Y244 PolarHBondContact OG-N 2.92Å; Y244-R1087 PolarHBondContact O-NH1 3.38Å
245D52.2Low36.9Very low79 Ų79124.6 Ų124.642%0.42266%0.664SS.*  trans-102.611.9-167.8-57.5-51.1000114.2S242 R1087S242-D245 WeakPolarHBondContact CB-OD2 3.37Å; S242-D245 PolarHBondContact OG-OD2 2.89Å; D245-R1087 IonicContact OD1-NH1 3.06Å; D245-R1087 PolarHBondContact OD1-NH1 2.89Å
246Y33.2Very low37Very low119 Ų119122.3 Ų122.347%0.46766%0.658SS.*SBendtrans-69.3131.2165.3-76.2-72.9000111.7P252Y246-P252 VanDerWaalsContact CD1-CD 3.43Å; Y246-P252 HydrophobicContact CD1-CG 3.74Å; Y246-P252 HydrophobicContact CE1-CG 3.29Å; Y246-P252 HydrophobicContact CE2-CG 4.27Å; Y246-P252 HydrophobicContact CG-CG 4.39Å
247P39.3Very low36.9Very low69 Ų69119.4 Ų119.445%0.44865%0.646SS.*  trans-59.8148.1172.5-24.134000111.9N249 L250 S251P247-N249 PolarHBondContact O-N 2.77Å; P247-L250 HydrophobicContact CB-CB 4.21Å; P247-L250 HydrophobicContact CB-CD1 4.45Å; P247-L250 HydrophobicContact CG-CB 4.34Å; P247-L250 HydrophobicContact CG-CD1 4.25Å; P247-L250 CarbonylContact O-C 3.56Å; P247-L250 PolarHBondContact O-N 3.35Å; P247-S251 PolarHBondContact O-N 3.11Å
248P43.3Very low36.7Very low125 Ų125117.6 Ų117.681%0.81263%0.628SS**THydrogen-bonded Turntrans-57.1-22.9-175.7-2835.8000115.8
249N45.4Very low36.5Very low155 Ų155116.3 Ų116.383%0.82962%0.621SS**THydrogen-bonded Turntrans-101.83.4179.5-61.1-2.5000113.1P247P247-N249 PolarHBondContact O-N 2.77Å
250L44Very low36.4Very low123 Ų123115 Ų11564%0.64461%0.614SS**  trans-133.125.4-175.6-70.8173.5000112.4P247 P252P247-L250 HydrophobicContact CB-CB 4.21Å; P247-L250 HydrophobicContact CB-CD1 4.45Å; P247-L250 HydrophobicContact CG-CB 4.34Å; P247-L250 HydrophobicContact CG-CD1 4.25Å; P247-L250 CarbonylContact O-C 3.56Å; P247-L250 PolarHBondContact O-N 3.35Å; L250-P252 WeakPolarHBondContact O-CD 3.47Å
251S31.7Very low36.3Very low86 Ų86116 Ų11660%0.60162%0.618SS**  trans-63114.7169.2570000110.3P247P247-S251 PolarHBondContact O-N 3.11Å
252P38.1Very low36.1Very low68 Ų68115.6 Ų115.644%0.44261%0.611SS.*  trans-73.8147.1-179.6-12.328.7000110.8Y246 L250 P254Y246-P252 VanDerWaalsContact CD1-CD 3.43Å; Y246-P252 HydrophobicContact CD1-CG 3.74Å; Y246-P252 HydrophobicContact CE1-CG 3.29Å; Y246-P252 HydrophobicContact CE2-CG 4.27Å; Y246-P252 HydrophobicContact CG-CG 4.39Å; L250-P252 WeakPolarHBondContact O-CD 3.47Å; P252-P254 VanDerWaalsContact O-CD 3.22Å; P252-P254 WeakPolarHBondContact O-CD 3.29Å
253Y30Very low35.8Very low226 Ų226120.1 Ų120.189%0.88663%0.632SS**  trans-62.9123169.6-77.1-99000110.7C255Y253-C255 PolarHBondContact O-N 3.37Å
254P37.4Very low35.3Very low128 Ų128119.7 Ų119.783%0.83163%0.63SS**  trans-75.881.7176.8-19.335.5000113.8P252P252-P254 VanDerWaalsContact O-CD 3.22Å; P252-P254 WeakPolarHBondContact O-CD 3.29Å
255C27.2Very low34.5Very low113 Ų113117.7 Ų117.776%0.76464%0.636SS**  trans52.6127.3148.1-570000122.9Y253Y253-C255 PolarHBondContact O-N 3.37Å
256P30Very low33.4Very low107 Ų107119.3 Ų119.370%0.69565%0.651SS**  trans-121145.615737.8-25.9000114.1H837P256-H837 HydrophobicContact CB-CB 4.46Å
257T29.8Very low33.3Very low90 Ų90119.5 Ų119.555%0.55267%0.665SS**  trans-141.9131.4-173.8-55.40000115.7H837 Q838T257-H837 VanDerWaalsContact CA-ND1 3.29Å; T257-H837 WeakPolarHBondContact CA-ND1 3.47Å; T257-H837 PolarHBondContact N-ND1 3.48Å; T257-H837 CarbonylContact O-C 2.89Å; T257-H837 VanDerWaalsContact O-CA 3.23Å; T257-H837 WeakPolarHBondContact O-CA 3.39Å; T257-H837 WeakPolarHBondContact O-CB 3.41Å; T257-H837 PolarHBondContact O-ND1 3.15Å; T257-Q838 CarbonylContact C-O 3.6Å; T257-Q838 VanDerWaalsContact C-O 3.31Å; T257-Q838 CarbonylContact O-C 3.45Å; T257-Q838 PolarHBondContact O-N 3.18Å
258F26.5Very low32.8Very low92 Ų92122.4 Ų122.440%0.40468%0.677SS.*  trans5997.2-178.4-174.4-101.1000120.9P260 H837 Q838 P839F258-P260 HydrophobicContact CE1-CB 4.26Å; F258-P260 HydrophobicContact CE1-CG 3.84Å; F258-P260 HydrophobicContact CE2-CB 4.24Å; F258-P260 HydrophobicContact CZ-CB 3.74Å; F258-P260 HydrophobicContact CZ-CG 3.84Å; F258-H837 PolarHBondContact N-ND1 3.14Å; F258-H837 CarbonylContact O-C 3.52Å; F258-H837 WeakPolarHBondContact O-CA 3.39Å; F258-Q838 WeakPolarHBondContact CB-O 3.42Å; F258-Q838 PolarHBondContact O-N 3.34Å; F258-P839 HydrophobicContact CB-CB 4.17Å; F258-P839 HydrophobicContact CD1-CB 4.22Å; F258-P839 HydrophobicContact CG-CB 4.24Å
259I30Very low32.2Very low92 Ų92124.2 Ų124.247%0.47267%0.674SS.*  trans-79.6150142.2-97.2160.1000107.6D836 H837I259-D836 HydrophobicContact CG1-CB 3.55Å; I259-H837 WeakPolarHBondContact CB-NE2 3.37Å; I259-H837 WeakPolarHBondContact CD1-NE2 3.33Å; I259-H837 VanDerWaalsContact CG1-CD2 3.44Å; I259-H837 WeakPolarHBondContact CG1-CD2 3.5Å; I259-H837 VanDerWaalsContact CG1-NE2 3.27Å; I259-H837 WeakPolarHBondContact CG1-NE2 3.49Å; I259-H837 PolarHBondContact N-CD2 3.31Å; I259-H837 VanDerWaalsContact N-CD2 3.34Å; I259-H837 PolarHBondContact N-CE1 3.42Å; I259-H837 VanDerWaalsContact N-CE1 3.31Å; I259-H837 PolarHBondContact N-NE2 3.27Å
260P30.2Very low31.3Very low73 Ų73124.4 Ų124.447%0.47468%0.675SS.*  trans-112.2137.5145.235.2-25.9000111.5F258F258-P260 HydrophobicContact CE1-CB 4.26Å; F258-P260 HydrophobicContact CE1-CG 3.84Å; F258-P260 HydrophobicContact CE2-CB 4.24Å; F258-P260 HydrophobicContact CZ-CB 3.74Å; F258-P260 HydrophobicContact CZ-CG 3.84Å
261Y31Very low30.8Very low169 Ų169124.8 Ų124.866%0.66368%0.682SS**  cis-162.1167.45.2-133.3-137.8000106.9
262E34.2Very low30.6Very low150 Ų150127.5 Ų127.570%0.70169%0.69SS**  trans35.8132147.6-69.1168.4-177.200120.6
263D30.3Very low30.1Very low135 Ų135129 Ų12972%0.72270%0.702SS**  cis-169.2178.9-2-144.2-24000110.8
264I33.1Very low30.1Very low140 Ų140127.2 Ų127.272%0.71870%0.699SS**  trans63.7101.7161.5-57.2153.5000116.9
265T27.7Very low29.7Very low132 Ų132128.5 Ų128.581%0.8170%0.698SS**  trans-77.3152.814250.50000109.9
266P29.6Very low29.8Very low114 Ų114127.9 Ų127.974%0.7470%0.695SS**  -138.2155.410937.9-28.6000114.6
267T29.6Very low29.7Very low122 Ų122127.7 Ų127.775%0.74870%0.696SS**  trans-63.7137.8158.247.20000110.6
268N30Very low30Very low131 Ų131130.6 Ų130.670%0.70171%0.714SS**  -176.2148.4116.6-92.43.6000113.3
269E29.4Very low30.2Very low162 Ų162135.4 Ų135.476%0.75774%0.738SS**  trans37.4110.4140.3-57.1177.8174.500120.8
270N28Very low30.5Very low160 Ų160136.7 Ų136.786%0.85676%0.755SS**  trans64.1-171.7153.1-76.6-45.6000117.3
271V33.4Very low30.6Very low131 Ų131144.6 Ų144.679%0.79478%0.775SS**  trans66.387173.6-162.40000116.1
272N27.7Very low30.8Very low142 Ų142144.4 Ų144.476%0.75978%0.784SS**  trans15.2128.4134.1-74.5-41.7000119.7
273S27Very low30.8Very low99 Ų99148.2 Ų148.269%0.69279%0.792SS**  45.9141.6121.2-52.70000121.5
274F29.8Very low31.1Very low189 Ų189145.7 Ų145.783%0.82978%0.783SS**  trans98.9100.7171.1-72.6-100.8000117.4
275L29Very low31.2Very low156 Ų156143.1 Ų143.182%0.81777%0.774SS**  54156.9121.3-77.6166.7000122.5
276S29.9Very low31.7Very low99 Ų99141.5 Ų141.569%0.69277%0.768SS**  trans72.7119.7-179.5-155.40000114.6
277S27.8Very low32.4Very low103 Ų103140.6 Ų140.672%0.7276%0.76SS**  cis95.1105.22691.10000115.5
278T34.9Very low33.1Very low151 Ų151137.6 Ų137.693%0.92674%0.74SS**  trans-154.6154.5157.717.60000107.4
279Q32.6Very low33.9Very low193 Ų193138.3 Ų138.390%0.90274%0.737SS**  trans-117.5140.3-168.2-66.3178.3-26.800112.9
280S34.3Very low34.6Very low120 Ų120139 Ų13984%0.83973%0.734SS**  trans-118.6156.1151.468.20000109.8
281R32.5Very low35.6Very low238 Ų238139.8 Ų139.890%0.89873%0.725SS**  trans-123.2105.5-149.2-177.4-169.5-67.1-178.9-1.3112.9
282I37Very low36.6Very low165 Ų165137.8 Ų137.885%0.84671%0.709SS**  trans-124.7147.8177.5-58.3-177.6000111.3
283R33.6Very low37.9Very low230 Ų230139.6 Ų139.687%0.86871%0.705SS**  trans-76.3145.5-170.5-83.3178.2167.4164.2-4.3114.1
284P35.4Very low39.3Very low82 Ų82143 Ų14353%0.53271%0.708SS.*  trans-72.6151.8166.3-8.624.9000112.5D288P284-D288 HydrophobicContact CB-CB 3.69Å
285T35.6Very low40.6Very low86 Ų86139.5 Ų139.553%0.52870%0.695SS.*  trans-100.1177.617668.10000112.2V287 D288 F289T285-V287 PolarHBondContact O-N 3.26Å; T285-D288 PolarHBondContact N-OD2 3.1Å; T285-D288 WeakPolarHBondContact O-CB 3.44Å; T285-D288 PolarHBondContact O-N 3.19Å; T285-D288 PolarHBondContact OG1-OD2 3.22Å; T285-F289 PolarHBondContact O-N 3.14Å
286S37.9Very low42Very low98 Ų98137.7 Ų137.769%0.68568%0.683SS**Hα-helixtrans-63.4-24.9-176.856.60000114.3
287V45.9Very low43.3Very low95 Ų95140.4 Ų140.458%0.57668%0.682SS**Hα-helixtrans-70.5-35.8173.4-179.30000110.9T285 F289 Y290 R291T285-V287 PolarHBondContact O-N 3.26Å; V287-F289 VanDerWaalsContact C-N 3.33Å; V287-F289 PolarHBondContact O-N 2.84Å; V287-Y290 PolarHBondContact O-N 3.43Å; V287-Y290 VanDerWaalsContact O-N 3.12Å; V287-R291 PolarHBondContact O-N 3.43Å
288D43.9Very low44.2Very low59 Ų59136.9 Ų136.932%0.31666%0.662SS.*Hα-helixtrans-68-34.2177.6-55.6-58.1000111.2P284 T285 Y290 R291 L292P284-D288 HydrophobicContact CB-CB 3.69Å; T285-D288 PolarHBondContact N-OD2 3.1Å; T285-D288 WeakPolarHBondContact O-CB 3.44Å; T285-D288 PolarHBondContact O-N 3.19Å; T285-D288 PolarHBondContact OG1-OD2 3.22Å; D288-Y290 VanDerWaalsContact C-N 3.28Å; D288-Y290 PolarHBondContact O-N 3.42Å; D288-R291 PolarHBondContact O-N 3.33Å; D288-L292 WeakPolarHBondContact O-CB 3.44Å; D288-L292 VanDerWaalsContact O-CG 3.31Å; D288-L292 WeakPolarHBondContact O-CG 3.34Å; D288-L292 PolarHBondContact O-N 3.11Å
289F45.2Very low44.9Very low147 Ų147134.5 Ų134.565%0.64564%0.641SS**Hα-helixtrans-57.8-37.9169.8-95.8-86.2000112.7T285 V287 R293T285-F289 PolarHBondContact O-N 3.14Å; V287-F289 VanDerWaalsContact C-N 3.33Å; V287-F289 PolarHBondContact O-N 2.84Å; F289-R293 WeakPolarHBondContact O-CB 3.32Å; F289-R293 PolarHBondContact O-N 3.25Å
290Y44.2Very low45.8Very low175 Ų175132.2 Ų132.269%0.68663%0.628SS**Hα-helixtrans-73.7-36.8175.2-100.8-92.5000112.9V287 D288 K294V287-Y290 PolarHBondContact O-N 3.43Å; V287-Y290 VanDerWaalsContact O-N 3.12Å; D288-Y290 VanDerWaalsContact C-N 3.28Å; D288-Y290 PolarHBondContact O-N 3.42Å; Y290-K294 WeakPolarHBondContact O-CB 3.39Å; Y290-K294 PolarHBondContact O-N 2.98Å
291R49.4Very low46.4Very low178 Ų178134.5 Ų134.567%0.67263%0.626SS**Hα-helixtrans-67.5-47.7173.6-78.3-172.7168.4-133-0.6111.9V287 D288 K294 M295V287-R291 PolarHBondContact O-N 3.43Å; D288-R291 PolarHBondContact O-N 3.33Å; R291-K294 PolarHBondContact O-N 3.42Å; R291-K294 VanDerWaalsContact O-N 3.16Å; R291-M295 WeakPolarHBondContact O-CG 3.36Å; R291-M295 PolarHBondContact O-N 2.91Å
292L55.5Low46.9Very low89 Ų89129.1 Ų129.147%0.46661%0.614SS.*Hα-helixtrans-58.1-47.8173.4-75164.4000111.1D288 K294 M295 H296D288-L292 WeakPolarHBondContact O-CB 3.44Å; D288-L292 VanDerWaalsContact O-CG 3.31Å; D288-L292 WeakPolarHBondContact O-CG 3.34Å; D288-L292 PolarHBondContact O-N 3.11Å; L292-K294 PolarHBondContact O-N 3.29Å; L292-M295 HydrophobicContact CD2-CE 4.47Å; L292-M295 PolarHBondContact O-N 3.14Å; L292-H296 WeakPolarHBondContact O-CB 3.32Å; L292-H296 PolarHBondContact O-N 2.61Å
293R54.5Low47Very low180 Ų180128.7 Ų128.768%0.67961%0.607SS**Hα-helixtrans-65.3-24.4177.9-162.5175.9-161.9-1786.1113.2F289 K297F289-R293 WeakPolarHBondContact O-CB 3.32Å; F289-R293 PolarHBondContact O-N 3.25Å; R293-K297 PolarHBondContact O-N 3.09Å
294K56.8Low47.2Very low170 Ų170122.5 Ų122.574%0.73960%0.598SS**Hα-helixtrans-82.6-42.6173.9-159.3172.1-174.9-179.40112.1Y290 R291 L292 K297 G298Y290-K294 WeakPolarHBondContact O-CB 3.39Å; Y290-K294 PolarHBondContact O-N 2.98Å; R291-K294 PolarHBondContact O-N 3.42Å; R291-K294 VanDerWaalsContact O-N 3.16Å; L292-K294 PolarHBondContact O-N 3.29Å; K294-K297 PolarHBondContact O-N 3.19Å; K294-G298 PolarHBondContact O-N 3.06Å; K294-G298 VanDerWaalsContact O-N 3.1Å
295M55.9Low46.9Very low115 Ų115127 Ų12757%0.56761%0.61SS**Hα-helixtrans-64.1-41.5171.6-67.8-157.3-57.300111.6R291 L292 K297 G298 M299R291-M295 WeakPolarHBondContact O-CG 3.36Å; R291-M295 PolarHBondContact O-N 2.91Å; L292-M295 HydrophobicContact CD2-CE 4.47Å; L292-M295 PolarHBondContact O-N 3.14Å; M295-K297 PolarHBondContact O-N 2.93Å; M295-G298 CarbonylContact O-C 3.58Å; M295-G298 PolarHBondContact O-N 3.21Å; M295-M299 WeakPolarHBondContact O-CB 3.21Å; M295-M299 WeakPolarHBondContact O-CG 3.45Å; M295-M299 PolarHBondContact O-N 2.82Å
296H58.6Low46.6Very low119 Ų119130.9 Ų130.955%0.55163%0.627SS**Hα-helixtrans-66.6-20.1176.3-165.4-41.9000112.7L292 K300L292-H296 WeakPolarHBondContact O-CB 3.32Å; L292-H296 PolarHBondContact O-N 2.61Å; H296-K300 WeakPolarHBondContact O-CB 3.41Å; H296-K300 WeakPolarHBondContact O-CG 3.33Å; H296-K300 PolarHBondContact O-N 3.1Å
297K57.1Low46.4Very low156 Ų156129.9 Ų129.968%0.67863%0.632SS**Hα-helixtrans-78.3-44.2165.9-82.4-169.3173.1-166.10112.3R293 K294 M295 K300 Q301R293-K297 PolarHBondContact O-N 3.09Å; K294-K297 PolarHBondContact O-N 3.19Å; M295-K297 PolarHBondContact O-N 2.93Å; K297-K300 PolarHBondContact O-N 2.91Å; K297-Q301 PolarHBondContact O-N 3.38Å
298G47.5Very low45.5Very low29 Ų29135.6 Ų135.630%0.29964%0.644SS.*Hα-helixtrans-65.5-42.517600000113.4K294 M295 K300 Q301 L302K294-G298 PolarHBondContact O-N 3.06Å; K294-G298 VanDerWaalsContact O-N 3.1Å; M295-G298 CarbonylContact O-C 3.58Å; M295-G298 PolarHBondContact O-N 3.21Å; G298-K300 VanDerWaalsContact C-N 3.32Å; G298-K300 PolarHBondContact O-N 2.95Å; G298-Q301 WeakPolarHBondContact O-CA 3.48Å; G298-Q301 WeakPolarHBondContact O-CB 3.34Å; G298-Q301 PolarHBondContact O-N 2.88Å; G298-L302 PolarHBondContact O-N 3.44Å; G298-L302 VanDerWaalsContact O-N 3.1Å
299M49.3Very low45Very low100 Ų100142.6 Ų142.649%0.49367%0.671SS.*Hα-helixtrans-65-34.1174.1-69.6174.173.700111.6M295 Q301 L302 F303M295-M299 WeakPolarHBondContact O-CB 3.21Å; M295-M299 WeakPolarHBondContact O-CG 3.45Å; M295-M299 PolarHBondContact O-N 2.82Å; M299-Q301 PolarHBondContact O-N 3.3Å; M299-L302 PolarHBondContact O-N 3.44Å; M299-L302 VanDerWaalsContact O-N 3.09Å; M299-F303 HydrophobicContact CB-CD2 4.06Å; M299-F303 HydrophobicContact CB-CE2 4.44Å; M299-F303 HydrophobicContact CE-CD2 4.4Å; M299-F303 HydrophobicContact CE-CE2 3.88Å; M299-F303 HydrophobicContact CG-CE2 4.43Å; M299-F303 WeakPolarHBondContact O-CB 3.4Å; M299-F303 WeakPolarHBondContact O-CD2 3.49Å; M299-F303 PolarHBondContact O-N 3.03Å
300K51.9Low44.2Very low146 Ų146141.1 Ų141.164%0.63567%0.666SS**Hα-helixtrans-68.3-6.9169.1-88.1-165.9163.4-171.90114.7H296 K297 G298 S304H296-K300 WeakPolarHBondContact O-CB 3.41Å; H296-K300 WeakPolarHBondContact O-CG 3.33Å; H296-K300 PolarHBondContact O-N 3.1Å; K297-K300 PolarHBondContact O-N 2.91Å; G298-K300 VanDerWaalsContact C-N 3.32Å; G298-K300 PolarHBondContact O-N 2.95Å; K300-S304 PolarHBondContact O-OG 3.34Å
301Q47.7Very low43.8Very low168 Ų168140.4 Ų140.479%0.78567%0.674SS**Hα-helixtrans-100.4-19.5167.2-66.1-178.2-61.900112.8K297 G298 M299K297-Q301 PolarHBondContact O-N 3.38Å; G298-Q301 WeakPolarHBondContact O-CA 3.48Å; G298-Q301 WeakPolarHBondContact O-CB 3.34Å; G298-Q301 PolarHBondContact O-N 2.88Å; M299-Q301 PolarHBondContact O-N 3.3Å
302L42.8Very low42.8Very low124 Ų124137.4 Ų137.465%0.64967%0.67SS**Hα-helixtrans-94.2-25.5178.2-69.7166.1000113.6G298 M299G298-L302 PolarHBondContact O-N 3.44Å; G298-L302 VanDerWaalsContact O-N 3.1Å; M299-L302 PolarHBondContact O-N 3.44Å; M299-L302 VanDerWaalsContact O-N 3.09Å
303F38.1Very low41.5Very low157 Ų157139.4 Ų139.469%0.68968%0.682SS**SBendtrans-104.518179.8-71.5-82.4000113.7M299 F305M299-F303 HydrophobicContact CB-CD2 4.06Å; M299-F303 HydrophobicContact CB-CE2 4.44Å; M299-F303 HydrophobicContact CE-CD2 4.4Å; M299-F303 HydrophobicContact CE-CE2 3.88Å; M299-F303 HydrophobicContact CG-CE2 4.43Å; M299-F303 WeakPolarHBondContact O-CB 3.4Å; M299-F303 WeakPolarHBondContact O-CD2 3.49Å; M299-F303 PolarHBondContact O-N 3.03Å; F303-F305 VanDerWaalsContact C-N 3.28Å
304S37.1Very low40.3Very low99 Ų99138.1 Ų138.169%0.69268%0.683SS**  trans-96.343.7164.4-70.40000111.8K300K300-S304 PolarHBondContact O-OG 3.34Å
305F29.7Very low39Very low176 Ų176137.5 Ų137.577%0.77268%0.683SS**  trans-78.1161.2152.6-89.7-94.2000109.5F303F303-F305 VanDerWaalsContact C-N 3.28Å
306N29.3Very low37.8Very low168 Ų168136.3 Ų136.390%0.89869%0.686SS**  trans70.296.9-175.9-54.5-25.7000114.4
307G33.9Very low36.4Very low77 Ų77139.2 Ų139.279%0.79470%0.698SS**  trans-175.743.4178.200000112.3K309G307-K309 PolarHBondContact O-N 3.46Å
308R26.5Very low35.1Very low216 Ų216135.9 Ų135.982%0.81569%0.693SS**  trans-56.4126.9-180-77.2-177.8176.6149.3-2.1110.7E310R308-E310 WeakPolarHBondContact CD-OE2 3.31Å; R308-E310 IonicContact NE-OE2 3.86Å
309K34.8Very low34.1Very low205 Ų205140.3 Ų140.389%0.89171%0.71SS**  trans-142.385.1140.1-119.1-176.8-179-1730109.9G307G307-K309 PolarHBondContact O-N 3.46Å
310E26.9Very low33.2Very low116 Ų116139.4 Ų139.454%0.54271%0.71SS.*  trans-61.9148.4157.4-71.7142138.300109.8R308 I312R308-E310 WeakPolarHBondContact CD-OE2 3.31Å; R308-E310 IonicContact NE-OE2 3.86Å; E310-I312 HydrophobicContact CB-CD1 3.71Å; E310-I312 HydrophobicContact CB-CG1 4.03Å; E310-I312 HydrophobicContact CG-CD1 4.12Å
311N36.5Very low32.1Very low160 Ų160139.4 Ų139.486%0.85671%0.71SS**  trans170.474.9171.4-95.57.5000102.8
312I28.8Very low31.3Very low115 Ų115137.7 Ų137.759%0.5970%0.702SS**  56.710550.5-59.3-173.3000111.2E310E310-I312 HydrophobicContact CB-CD1 3.71Å; E310-I312 HydrophobicContact CB-CG1 4.03Å; E310-I312 HydrophobicContact CG-CD1 4.12Å
313N27.9Very low30.8Very low132 Ų132138.6 Ų138.671%0.70671%0.707SS**  trans62.2170.5155.9-67-3.2000121
314E30.1Very low30.8Very low152 Ų152140 Ų14071%0.7172%0.715SS**  trans74.4131.2155.3-75.5139.9-117.400117.9
315Q29.7Very low30.5Very low157 Ų157143.2 Ų143.273%0.73472%0.72SS**  cis-165.6139.6-9.7-133.1173.927.100111.7
316S29.9Very low30.4Very low91 Ų91141.2 Ų141.264%0.63672%0.717SS**  trans64.3177.7144.587.60000118.6
317F30Very low30.7Very low179 Ų179142.4 Ų142.479%0.78572%0.717SS**  cis-136.3124.1-22.3-99-57.2000105.8
318C28Very low30.4Very low86 Ų86142.5 Ų142.558%0.58171%0.71SS**  60.1125.697.4-660000118.5
319N27.1Very low30.4Very low123 Ų123141.5 Ų141.566%0.65871%0.712SS**  trans55132.6133-49.5-17.9000121.1R886N319-R886 PolarHBondContact O-NH1 2.62Å; N319-R886 PolarHBondContact O-NH2 3.18Å
320T30.8Very low30.2Very low80 Ų80142.6 Ų142.649%0.49171%0.71SS.*  168.798.696.142.60000114.1R886 Y887T320-R886 PolarHBondContact O-NH1 3.08Å; T320-R886 PolarHBondContact OG1-NH1 2.76Å; T320-Y887 PolarHBondContact O-OH 2.73Å
321K28.8Very low30.2Very low147 Ų147141.8 Ų141.864%0.63972%0.718SS**  trans60.8155.6148.2-48.9178.3179.8178.60123.1Y887K321-Y887 VanDerWaalsContact C-CE1 3.41Å; K321-Y887 WeakPolarHBondContact O-CE1 3.41Å; K321-Y887 PolarHBondContact O-OH 2.76Å; K321-Y887 VanDerWaalsContact O-OH 3.05Å
322Q30.5Very low29.7Very low131 Ų131138.2 Ų138.261%0.61271%0.705SS**  trans86.7128.9134.2-85.7159.1-46.100122.9
323L31.9Very low29.6Very low143 Ų143141.1 Ų141.175%0.74971%0.714SS**  trans60.6148.4153.2-84.669.4000117.4
324E37.6Very low29.6Very low187 Ų187140.3 Ų140.387%0.87471%0.714SS**  cis-122.6133.918.9-71.2179.4118.600115.1
325E31.9Very low29.5Very low167 Ų167139.9 Ų139.978%0.7871%0.712SS**  trans-101.5161.1152.1-178.6174.4-148.100107.1
326N28.1Very low29.4Very low134 Ų134137.6 Ų137.672%0.71770%0.704SS**  trans89.581.9177-50.8-81000118.7
327Q33.9Very low29.4Very low193 Ų193140.5 Ų140.590%0.90271%0.705SS**  trans-165.6103.9131.2-108.6162.9100.800108
328A28.1Very low29.4Very low78 Ų78139.1 Ų139.165%0.64570%0.702SS**  cis74.6109.737.300000114.9
329K27.7Very low29.4Very low195 Ų195142.4 Ų142.485%0.84871%0.713SS**  trans49.1102.4147.4-58.9173.8-179.5174.30118.6
330R29.5Very low29.6Very low229 Ų229140.9 Ų140.986%0.86472%0.717SS**  trans165.8130.5136.8-89.5150.1-176.3-169.7-0.5106.7
331S26.7Very low29.7Very low99 Ų99142.4 Ų142.469%0.69273%0.731SS**  61.6136.952.297.60000110.7
332S27.3Very low30.1Very low84 Ų84141 Ų14159%0.58774%0.736SS**  cis-178.917918.428.20000109.1
333F26.2Very low29.9Very low177 Ų177140.7 Ų140.778%0.77674%0.743SS**  trans70.3105.5158.8-72.4-63.9000115.9
334T28.5Very low29.9Very low115 Ų115139.8 Ų139.871%0.70674%0.744SS**  75.3149.598.3540000113.9
335E28.1Very low29.5Very low143 Ų143135.4 Ų135.467%0.66873%0.734SS**  cis-154179.612.8-141.2-177.5108.600111.9
336N26.1Very low29.6Very low109 Ų109134.1 Ų134.158%0.58373%0.731SS**  trans11.5143135.5-79.1-25.9000119.3
337K30.7Very low29.7Very low151 Ų151134.1 Ų134.166%0.65773%0.731SS**  cis-166.7140.724.2-110153.9-168156.10108.4
338Q29.3Very low29.8Very low151 Ų151130.4 Ų130.471%0.70672%0.717SS**  86.2152.285.4-160.7-172.511.300114.2
339L29.3Very low30Very low155 Ų155134.2 Ų134.281%0.81272%0.72SS**  trans75.3140.6173.6-48.4175.3000116.2
340A30.9Very low30.2Very low91 Ų91129.9 Ų129.975%0.75271%0.709SS**  cis-158.5153.9-20.200000110.7
341S31.9Very low30.4Very low112 Ų112125 Ų12578%0.78370%0.701SS**  trans-85.7167167.3-480000111.1
342P37.1Very low30.8Very low116 Ų116128 Ų12875%0.75370%0.703SS**  -142.8154.687.336.8-18.4000114.3
343V27.7Very low30.8Very low125 Ų125129.4 Ų129.476%0.75871%0.709SS**  57.4129.296.8-162.70000112
344T31.2Very low31.2Very low124 Ų124125.9 Ų125.976%0.76171%0.706SS**  -153163.855.4-390000115.3
345S29.9Very low31.2Very low96 Ų96128.6 Ų128.667%0.67172%0.715SS**  trans-59.8174.3171.448.70000114.4
346I33.2Very low31.2Very low140 Ų140128.6 Ų128.672%0.71872%0.719SS**  -163.5148.865.9-75.6171.4000111.3
347N30.6Very low31.3Very low134 Ų134129.9 Ų129.972%0.71773%0.726SS**  trans12.6153.8152.3-50.9-8.3000121
348D36Very low31.1Very low114 Ų114127.2 Ų127.261%0.6173%0.727SS**  cis-154.9162.335.2-130.9-28.2000115.6
349K32.8Very low31Very low159 Ų159124.9 Ų124.969%0.69173%0.727SS**  trans7.4152.3150.2-73.3174.5-153.788.90121.5
350T32.1Very low30.8Very low103 Ų103124 Ų12463%0.63272%0.723SS**  cis-161.2153.711.32.70000111.7
351D33.8Very low30.7Very low127 Ų127130.3 Ų130.368%0.67973%0.728SS**  trans54156.3137.1-59.3-13.5000122.5
352H33.5Very low30.4Very low162 Ų162131.2 Ų131.275%0.7572%0.724SS**  cis-169.6145-17.8-11660000105
353T28.5Very low29.9Very low114 Ų114133.7 Ų133.770%0.69972%0.723SS**  cis-157.7169-21.5-53.10000106.9
354S33.4Very low29.9Very low102 Ų102135.3 Ų135.371%0.71372%0.72SS**  trans-86.3166.4172.759.90000113.3
355L28.5Very low29.6Very low172 Ų172140 Ų14090%0.90172%0.724SS**  trans-163.8166132.9-111.5171.1000112
356N29.2Very low29.4Very low143 Ų143141.4 Ų141.477%0.76573%0.728SS**  trans-128177.2-165.4-150.816.5000111.6
357D28Very low29.1Very low136 Ų136141.9 Ų141.973%0.72773%0.731SS**  trans81.9-178.9153.9-124.1-63.2000120.4
358S27.2Very low28.9Very low95 Ų95143 Ų14366%0.66474%0.736SS**  trans-106.2151-136.6530000116.4
359S25.7Very low28.4Very low103 Ų103148.1 Ų148.172%0.7275%0.747SS**  163.3157.7121.6570000114.3
360N26.5Very low28.1Very low136 Ų136144.1 Ų144.173%0.72774%0.739SS**  trans16.3106.9152.2-77.5-42.8000119.5
361R28Very low27.8Very low223 Ų223148.2 Ų148.284%0.84275%0.748SS**  -174.3153.9102-104.3155.8-76.6-157.3-3.5116.5
362N26Very low27.3Very low132 Ų132146.8 Ų146.871%0.70675%0.748SS**  trans-40.3142.6164.5-49.2-64.3000114.8
363F26.8Very low26.8Very low167 Ų167145.1 Ų145.173%0.73275%0.753SS**  175152.998.8-105-64.2000115.1
364K27.1Very low27.2Very low160 Ų160147.3 Ų147.370%0.69676%0.761SS**  trans53.5121.7153.3-73142.8-172.4164.50118.4
365R25.7Very low27Very low223 Ų223148.2 Ų148.284%0.84277%0.765SS**  cis79.3134.447.3-169.8-168.4-157.1173.87.6112.4
366T24.9Very low26.9Very low125 Ų125151 Ų15177%0.76776%0.763SS**  trans66.5152.2178.619.80000113.7
367I26.2Very low26.8Very low150 Ų150149 Ų14977%0.76976%0.761SS**  cis-129.4145.226.6-70.3173.7000113.1
368L28.2Very low26.8Very low158 Ų158149.7 Ų149.783%0.82776%0.764SS**  trans-81.6124.2163.1-82.5150.5000111.6
369R24.2Very low26.9Very low220 Ų220150.4 Ų150.483%0.8377%0.768SS**  trans-145.6122.9142.8-67.6-168179.4171.2-0.1106
370S27.1Very low27.2Very low76 Ų76152.7 Ų152.753%0.53177%0.772SS.*  cis68.1138.73988.90000113.6
371F24.6Very low27.5Very low188 Ų188154.3 Ų154.383%0.82578%0.775SS**  trans69.6141.2-173.1-40.4-69.3000114.4
372S24Very low27.7Very low97 Ų97151.5 Ų151.568%0.67876%0.764SS**  cis-170.6146.3-16.9450000111.4
373C24.1Very low28Very low127 Ų127156.4 Ų156.486%0.85877%0.773SS**  trans69.7154.7157.7-61.60000120
374N35.8Very low28.2Very low160 Ų160157.8 Ų157.886%0.85678%0.779SS**  trans-55.1154171.2-65.2-35.1000112
375P30.3Very low28.4Very low122 Ų122156.5 Ų156.579%0.79278%0.784SS**  -141.5-171.495.540.6-28.1000114.4
376R24.4Very low28.6Very low229 Ų229155.1 Ų155.186%0.86478%0.784SS**  trans-68.1148.1165.4-70160.4144.8176.8-11110.8
377S27.2Very low29Very low103 Ų103155 Ų15572%0.7279%0.786SS**  trans60.6132.5150.253.80000122.2
378N28.4Very low29.2Very low149 Ų149156.1 Ų156.180%0.79779%0.787SS**  trans73111.9145.8-66.816000123.2
379C30.6Very low29.4Very low110 Ų110155.6 Ų155.674%0.74379%0.791SS**  77.8127.8125.9-54.80000124.6
380D31.7Very low29.7Very low152 Ų152151.8 Ų151.881%0.81379%0.786SS**  trans83.9165.8139.3-99.6-64000125.5
381H32Very low29.9Very low170 Ų170157.7 Ų157.779%0.78780%0.802SS**  trans-123.9149.3-157.6-70-3000116.5
382R32.6Very low30.2Very low164 Ų164154.1 Ų154.162%0.61980%0.8SS**  -176173.5126.6-101.7166.7-162-124.7-0.2114.6N981R382-N981 PolarHBondContact NH1-OD1 3.23Å; R382-N981 PolarHBondContact NH2-OD1 2.85Å
383R31.5Very low30.4Very low235 Ų235157.9 Ų157.989%0.88781%0.807SS**  trans-127.1159.9-174.4-54.1176.8-175.1163.90.7112.8
384K32.2Very low30.7Very low196 Ų196159.9 Ų159.985%0.85281%0.809SS**  trans-161.4165.3148-105.7171-175.6-174.50111.2
385V31Very low30.2Very low132 Ų132157.8 Ų157.880%0.880%0.801SS**  trans-154.5163.8-156.1164.20000114
386K30.1Very low30Very low195 Ų195158.7 Ų158.785%0.84881%0.805SS**  trans84.8161.4166.1-97-179.7176.4-176.40117.5
387P32Very low30Very low123 Ų123150.9 Ų150.980%0.79980%0.795SS**  cis-125.8-159.72.339.3-20.5000116.1
388Q31.8Very low30.1Very low172 Ų172153.4 Ų153.480%0.80480%0.801SS**  trans-121.6164.1-173.4-61.7174.3-78.400113.8
389T32.9Very low29.9Very low147 Ų147152.7 Ų152.790%0.90280%0.802SS**  trans-141.2152.8158.4-43.60000110.5
390I28.9Very low29.8Very low141 Ų141151.6 Ų151.672%0.72380%0.801SS**  trans-137.2136.6-175.8-62.2170.3000112
391K31.5Very low29.7Very low200 Ų200150.7 Ų150.787%0.8780%0.796SS**  trans-177.9156.1157.3-99.2163.9-177179.60106.7
392S31.4Very low29.4Very low112 Ų112147.8 Ų147.878%0.78379%0.786SS**  cis-158.6-174.9-11.6450000108.8
393Q27.9Very low29.2Very low177 Ų177150.3 Ų150.383%0.82780%0.798SS**  trans-105.2158.8173.6-66.6173.1-75.500112.4
394N29.6Very low29Very low169 Ų169142.3 Ų142.390%0.90479%0.788SS**  trans-157.5168.1136.1-113.9-16.8000111.6
395V26Very low28.7Very low115 Ų115142.5 Ų142.570%0.69779%0.789SS**  trans-129.3174-164.11780000110.9
396T25.9Very low28.3Very low142 Ų142148.2 Ų148.287%0.87180%0.796SS**  trans83.2144179.474.10000115.5
397G25.9Very low28.1Very low64 Ų64145.7 Ų145.766%0.6679%0.791SS**  cis-179.1-176.5-6.100000114.2
398N27.5Very low27.7Very low157 Ų157148 Ų14884%0.8479%0.791SS**  trans76.7119.6162.2-58.7-4.3000120.5
399T25.3Very low27.5Very low134 Ų134147.3 Ų147.382%0.82279%0.792SS**  trans9144.2132.643.90000119.9
400A27.8Very low27.2Very low86 Ų86147.2 Ų147.271%0.71179%0.786SS**  cis-165.5-155.8-100000108.5
401D29.1Very low27.1Very low133 Ų133145.8 Ų145.871%0.71177%0.774SS**  cis-162.9164.97-158.714.8000115.1
402N27.6Very low26.8Very low110 Ų110142 Ų14259%0.58876%0.764SS**  trans61.2149.6145.4-105.7-47.4000125.5
403Y26.6Very low26.7Very low217 Ų217144.4 Ų144.485%0.85177%0.767SS**  trans59.7103.4171.4-65.3-72000120.7
404G28.4Very low26.5Very low67 Ų67140.1 Ų140.169%0.69176%0.756SS**  trans17031.3166.500000117.6W406G404-W406 PolarHBondContact O-N 3.5Å; G404-W406 VanDerWaalsContact O-N 3.1Å
405K24.9Very low26.5Very low200 Ų200139.3 Ų139.387%0.8775%0.751SS**  trans-54.8113.1-170.8-76.9-175.8177.31770113.9
406W23.2Very low26.6Very low251 Ų251139 Ų13995%0.95175%0.754SS**  trans-99.5129.5152.8-77.472.2000108.7G404G404-W406 PolarHBondContact O-N 3.5Å; G404-W406 VanDerWaalsContact O-N 3.1Å
407I25.1Very low26.6Very low143 Ų143141.1 Ų141.173%0.73375%0.751SS**  trans-99.4111177.1-62.4177.3000108.1L409I407-L409 HydrophobicContact CG2-CG 4.38Å; I407-L409 PolarHBondContact O-N 3.29Å
408E24.2Very low26.6Very low172 Ų172145.3 Ų145.380%0.80476%0.759SS**  trans-89.496.9-178.5-172.2170.7-138.600110.5
409L27.4Very low26.8Very low157 Ų157146 Ų14682%0.82276%0.762SS**PPolyproline II helixtrans-84.6117.9173.8-74.6175.8000110.9I407I407-L409 HydrophobicContact CG2-CG 4.38Å; I407-L409 PolarHBondContact O-N 3.29Å
410N27.8Very low26.8Very low145 Ų145143.6 Ų143.678%0.77576%0.756SS**PPolyproline II helixtrans-71.3140.6-173.8-98.2-67.2000113.2
411K26.5Very low26.8Very low111 Ų111149.6 Ų149.648%0.48377%0.766SS.*PPolyproline II helixtrans-86.8121.9178.1-62.4160.5177.2170.10110.5P24P24-K411 HydrophobicContact CB-CD 4.12Å; P24-K411 HydrophobicContact CG-CB 3.79Å; P24-K411 HydrophobicContact CG-CD 3.42Å; P24-K411 VanDerWaalsContact CG-CD 3.42Å; P24-K411 HydrophobicContact CG-CG 4.3Å
412N25.6Very low26.8Very low121 Ų121149.2 Ų149.265%0.64777%0.774SS**  trans-154.5102.8158.4-87.1-35.8000109.6
413L27.8Very low26.8Very low162 Ų162155.1 Ų155.185%0.84879%0.788SS**  trans-151.3117153.4-153.577.8000109L415L413-L415 HydrophobicContact CD2-CD1 3.99Å; L413-L415 HydrophobicContact CG-CD1 4.36Å
414S24.9Very low26.7Very low86 Ų86151.6 Ų151.660%0.60178%0.783SS**  trans-106.9125.117450.10000108.7
415L29.3Very low26.6Very low153 Ų153157 Ų15780%0.80179%0.79SS**PPolyproline II helixtrans-98.8152.4163.4-9480.5000110.6L413L413-L415 HydrophobicContact CD2-CD1 3.99Å; L413-L415 HydrophobicContact CG-CD1 4.36Å
416S27.5Very low26.7Very low109 Ų109152.5 Ų152.576%0.76278%0.779SS**PPolyproline II helixtrans-80.8169.6-16948.60000113.4
417K25.6Very low26.8Very low186 Ų186145.6 Ų145.681%0.80976%0.764SS**SBendtrans-64164.1153.7-64.4176.4-179.9176.50109.2
418N26.2Very low26.8Very low152 Ų152144 Ų14481%0.81377%0.766SS**  trans72.271-176.8-50.5-0.6000113
419D31.1Very low26.8Very low171 Ų171145 Ų14591%0.91476%0.763SS**  trans-150.1133130.7-105.7-31.5000109.7
420A26Very low26.8Very low84 Ų84141.4 Ų141.469%0.69475%0.752SS**  trans-104.4149.8173.200000109.1
421K27.7Very low26.9Very low212 Ų212144.2 Ų144.292%0.92276%0.76SS**  trans71.887-176.2-47.4175.2-178.6-179.40114.5
422S29.2Very low27.1Very low125 Ų125144.8 Ų144.887%0.87477%0.773SS**  trans-129.3145.8152.450.80000109.7
423R27.8Very low27.2Very low234 Ų234146 Ų14688%0.88378%0.775SS**  trans-99162.4-151.2-68.8162.472.4178.92.6114.3
424L25.1Very low27.4Very low143 Ų143143.3 Ų143.375%0.74977%0.767SS**  trans-54.1146.8-176.7-69.3150.9000115.1V426L424-V426 HydrophobicContact CB-CG2 3.74Å; L424-V426 HydrophobicContact CD1-CG2 3.99Å; L424-V426 HydrophobicContact CG-CG2 4.4Å; L424-V426 PolarHBondContact O-N 3.19Å
425H26.4Very low27.6Very low181 Ų181143.7 Ų143.784%0.83877%0.766SS**  trans-88.185.5147.6-90.2-68.3000109.2
426V25.6Very low27.7Very low105 Ų105143.3 Ų143.364%0.63676%0.764SS**  trans-72.2127.8166.9-178.20000108.5L424L424-V426 HydrophobicContact CB-CG2 3.74Å; L424-V426 HydrophobicContact CD1-CG2 3.99Å; L424-V426 HydrophobicContact CG-CG2 4.4Å; L424-V426 PolarHBondContact O-N 3.19Å
427V26.6Very low27.7Very low106 Ų106146.9 Ų146.964%0.64276%0.763SS**  trans-101.990.5167.8-179.60000107.4Y429V427-Y429 HydrophobicContact CG1-CD2 4.25Å; V427-Y429 HydrophobicContact CG1-CE2 3.8Å; V427-Y429 PolarHBondContact O-N 2.96Å
428S24.8Very low27.8Very low109 Ų109144 Ų14476%0.76276%0.755SS**PPolyproline II helixtrans-71.8116.1173.335.80000110
429Y24.2Very low27.9Very low192 Ų192141.9 Ų141.975%0.75375%0.747SS**PPolyproline II helixtrans-89.3126.6167.3-72.3-93000108.8V427V427-Y429 HydrophobicContact CG1-CD2 4.25Å; V427-Y429 HydrophobicContact CG1-CE2 3.8Å; V427-Y429 PolarHBondContact O-N 2.96Å
430S27.2Very low27.8Very low83 Ų83140.6 Ų140.658%0.5874%0.739SS**PPolyproline II helixtrans-78129.4161.248.50000109.2T432S430-T432 PolarHBondContact O-N 3.02Å
431E29.8Very low27.9Very low203 Ų203141.2 Ų141.295%0.94974%0.738SS**THydrogen-bonded Turntrans-76.1-3.2-179.4-60.8-167120.100113.5
432T29.7Very low27.9Very low123 Ų123133.8 Ų133.876%0.75572%0.721SS**THydrogen-bonded Turntrans-91.2-19.1-158.750.50000115.9S430S430-T432 PolarHBondContact O-N 3.02Å
433E29.6Very low28Very low146 Ų146134.3 Ų134.368%0.68272%0.719SS**SBendtrans-138.6146.3-175.5-68.7-165.4165.100115V435E433-V435 VanDerWaalsContact C-N 3.35Å; E433-V435 PolarHBondContact O-N 3.28Å
434P30.1Very low28.2Very low107 Ų107131.9 Ų131.970%0.69572%0.718SS**  trans-77.780.1173.233.3-34.5000111.2N436P434-N436 PolarHBondContact O-N 2.93Å
435V30.1Very low28.6Very low94 Ų94131.9 Ų131.957%0.5772%0.719SS**  trans-61.9100.9179.2-178.70000111.5E433 Y437E433-V435 VanDerWaalsContact C-N 3.35Å; E433-V435 PolarHBondContact O-N 3.28Å; V435-Y437 WeakPolarHBondContact CG1-O 3.34Å; V435-Y437 PolarHBondContact O-N 3.37Å
436N31Very low28.8Very low144 Ų144135.7 Ų135.777%0.7773%0.726SS**SBendtrans-71.7-10.9-179.1-80-45.6000114.6P434P434-N436 PolarHBondContact O-N 2.93Å
437Y28.1Very low29.1Very low185 Ų185139.4 Ų139.473%0.72573%0.733SS**  trans-139.8111.9-177.1-63-81.2000112V435 T439V435-Y437 WeakPolarHBondContact CG1-O 3.34Å; V435-Y437 PolarHBondContact O-N 3.37Å; Y437-T439 PolarHBondContact O-N 3.42Å
438I28.3Very low29.3Very low126 Ų126139.3 Ų139.365%0.64674%0.735SS**  trans-90.997.3174.5-56.9177.6000109.6I440I438-I440 HydrophobicContact CG2-CG1 3.97Å; I438-I440 PolarHBondContact O-N 3.16Å
439T27.3Very low29.5Very low107 Ų107140.5 Ų140.566%0.65673%0.732SS**  trans-85.196.9177.1-55.20000110.6Y437 S441Y437-T439 PolarHBondContact O-N 3.42Å; T439-S441 PolarHBondContact O-N 2.95Å; T439-S441 VanDerWaalsContact O-N 3.13Å
440I28.6Very low29.9Very low144 Ų144140 Ų14074%0.73874%0.737SS**  trans-82.190.5175.9-52.8-179.2000109.9I438 G442I438-I440 HydrophobicContact CG2-CG1 3.97Å; I438-I440 PolarHBondContact O-N 3.16Å; I440-G442 PolarHBondContact O-N 3.19Å
441S28.8Very low30.1Very low97 Ų97141.5 Ų141.568%0.67874%0.737SS**  trans-76.1100.6169.153.20000110.7T439T439-S441 PolarHBondContact O-N 2.95Å; T439-S441 VanDerWaalsContact O-N 3.13Å
442G28.7Very low30Very low55 Ų55139.1 Ų139.157%0.56773%0.731SS**  trans-70.8135.3168.500000110.9I440 Q444I440-G442 PolarHBondContact O-N 3.19Å; G442-Q444 PolarHBondContact O-N 3.07Å
443V30.8Very low29.8Very low137 Ų137138.7 Ų138.783%0.8373%0.732SS**SBendtrans-83.756.9179-167.50000110.7
444Q32.1Very low29.9Very low183 Ų183141.2 Ų141.286%0.85574%0.741SS**SBendtrans-159.7119.2165.2-111162.42.500107.3G442G442-Q444 PolarHBondContact O-N 3.07Å
445D33.1Very low29.6Very low143 Ų143144.2 Ų144.277%0.76574%0.744SS**SBendtrans56.7121.3-164.9-63.3-25.7000116.1K447D445-K447 PolarHBondContact O-N 3.16Å
446R30.6Very low29.4Very low261 Ų261145.2 Ų145.299%0.98576%0.755SS**SBendtrans-73.559.8-179.1-67.1-179173.7177.1-2.7112.9
447K31.1Very low29.1Very low182 Ų182145 Ų14579%0.79175%0.751SS**  trans-128.7111.5177.3-72.3-176.5177.6176.10111.4D445 L449D445-K447 PolarHBondContact O-N 3.16Å; K447-L449 PolarHBondContact O-N 2.91Å
448P31.6Very low28.9Very low105 Ų105141.8 Ų141.868%0.68275%0.75SS**  trans-69.8120.7179.727.7-33.3000111.3Q450P448-Q450 PolarHBondContact O-N 3.48Å; P448-Q450 VanDerWaalsContact O-N 3.16Å
449L29.2Very low28.8Very low134 Ų134144 Ų14470%0.70276%0.755SS**  trans-79.292.7175.9-95162.9000110.9K447K447-L449 PolarHBondContact O-N 2.91Å
450Q32.7Very low28.7Very low182 Ų182142.9 Ų142.985%0.8575%0.752SS**  trans-60.5135.4166.3-68.4-178.2-12.700110.5P448P448-Q450 PolarHBondContact O-N 3.48Å; P448-Q450 VanDerWaalsContact O-N 3.16Å
451I30.6Very low28.4Very low114 Ų114141 Ų14159%0.58575%0.751SS**  trans-134.8123.1175-58.9-179.9000108.2
452N28.8Very low28.2Very low153 Ų153141.4 Ų141.482%0.81875%0.754SS**  trans-68147.1-167.9-88.7-31.1000115.3K454N452-K454 PolarHBondContact O-N 3.38Å
453S25.7Very low28.1Very low113 Ų113145.9 Ų145.979%0.7976%0.764SS**SBendtrans-71.589-171-48.70000114.4
454K30Very low27.8Very low199 Ų199144.6 Ų144.687%0.86576%0.76SS**  trans-138.633.8164.1-79.3-160.6174.2-177.30114.3N452N452-K454 PolarHBondContact O-N 3.38Å
455F25.6Very low27.4Very low171 Ų171144.9 Ų144.975%0.7576%0.761SS**  trans-122.1104171.2-73.6-82.7000110.7
456S24.8Very low27Very low114 Ų114144.5 Ų144.580%0.79776%0.764SS**  trans-75.6127162.6179.40000108.7
457M24.3Very low26.8Very low140 Ų140136.4 Ų136.469%0.6975%0.747SS**  trans-102.696.9176.7-173.2173.571.100109.3K459M457-K459 HydrophobicContact CE-CG 4.39Å; M457-K459 PolarHBondContact O-N 2.87Å
458V24.1Very low26.4Very low117 Ų117133 Ų13371%0.70974%0.741SS**  trans-69.6101.6175.1-179.60000109S460V458-S460 VanDerWaalsContact C-N 3.29Å; V458-S460 PolarHBondContact O-N 3.24Å
459K26.1Very low26.1Very low172 Ų172133.3 Ų133.375%0.74875%0.745SS**  trans-73.480168-76.3-170.3175.7-174.70110M457 S461M457-K459 HydrophobicContact CE-CG 4.39Å; M457-K459 PolarHBondContact O-N 2.87Å; K459-S461 PolarHBondContact O-N 2.92Å
460S24.7Very low25.9Very low85 Ų85134 Ų13459%0.59474%0.744SS**  trans-83.585.5164.959.30000109.9V458V458-S460 VanDerWaalsContact C-N 3.29Å; V458-S460 PolarHBondContact O-N 3.24Å
461S23.8Very low25.5Very low104 Ų104131.5 Ų131.573%0.72774%0.736SS**  trans-78.2137.5154.750.60000107.7K459K459-S461 PolarHBondContact O-N 2.92Å
462S24Very low25.5Very low106 Ų106134.1 Ų134.174%0.74175%0.75SS**  trans69.8173.4-161.784.20000115.3
463I26.4Very low25.4Very low149 Ų149132.4 Ų132.476%0.76475%0.747SS**  trans71.1118.9-164.1-46.8170.1000113.1
464C25.2Very low25.3Very low110 Ų110136.8 Ų136.874%0.74375%0.752SS**  cis-170.7165.8-27.5-112.70000106.6V466C464-V466 PolarHBondContact O-N 3.38Å
465Q22.5Very low25.3Very low189 Ų189135.5 Ų135.588%0.88375%0.754SS**  trans-63.7124.6168.7-67.8166.8-57.900110.3S467Q465-S467 PolarHBondContact O-N 3.42Å
466V25.2Very low25.3Very low135 Ų135132.3 Ų132.382%0.81875%0.753SS**  trans-93.276.6167.8-174.90000108.8C464C464-V466 PolarHBondContact O-N 3.38Å
467S25.8Very low25.3Very low91 Ų91133.2 Ų133.264%0.63675%0.753SS**  trans-66.6127.6166.950.90000110Q465 C469Q465-S467 PolarHBondContact O-N 3.42Å; S467-C469 PolarHBondContact O-N 2.87Å
468T23.1Very low25.5Very low110 Ų110134.7 Ų134.768%0.67576%0.759SS**  trans-75.292.5-178.151.40000112.2
469C24.9Very low25.7Very low112 Ų112135.8 Ų135.876%0.75777%0.765SS**  trans-110.4158169.2-64.70000111.1S467S467-C469 PolarHBondContact O-N 2.87Å
470H25.2Very low25.9Very low149 Ų149135.2 Ų135.269%0.6977%0.769SS**  trans-90.4160.2-168.8-83.645.4000114.3
471N25.4Very low26Very low128 Ų128138.2 Ų138.268%0.68477%0.773SS**  trans46.9113.9148.7-60.4-15.2000119.9
472I29.9Very low26.1Very low170 Ų170137.3 Ų137.387%0.87277%0.767SS**  trans-148.8143.9142.1-103.7147.6000108.9
473P27Very low26.4Very low117 Ų117141 Ų14176%0.7677%0.773SS**  trans-95.7179-166.638.2-37.6000115.2
474K24Very low26.5Very low204 Ų204138.7 Ų138.789%0.88776%0.762SS**  trans-47.5135.9-179.7-59.6174.2178.8178.80114.4
475L28.5Very low26.6Very low173 Ų173139.1 Ų139.191%0.90676%0.761SS**  trans-130.3159.4151.1-101.3162.5000109.3
476S27.4Very low27Very low104 Ų104139.2 Ų139.273%0.72776%0.759SS**  trans-88.8140.6-153.149.40000116.1Q478S476-Q478 PolarHBondContact O-N 3.46Å
477T23.9Very low27.1Very low132 Ų132139.8 Ų139.881%0.8176%0.757SS**  trans-76.7111.1164.848.10000111.7
478Q29.4Very low27.1Very low172 Ų172143.2 Ų143.280%0.80477%0.765SS**  trans-152.8136.4162.1-104-174.73.400109.4S476S476-Q478 PolarHBondContact O-N 3.46Å
479V28Very low27.4Very low139 Ų139145.2 Ų145.284%0.84277%0.766SS**  trans63135.5-179.6-140.60000111.8
480I28.9Very low27.5Very low160 Ų160146.5 Ų146.582%0.82177%0.765SS**  cis-124.114824.2-67.2157.8000111.1
481Q28.2Very low27.6Very low148 Ų148149 Ų14969%0.69277%0.768SS**  trans-92.4168176.9-68.1177.2-39.100112.3I90I90-Q481 HydrophobicContact CD1-CG 4.45Å; I90-Q481 HydrophobicContact CG1-CG 4.09Å
482S25.4Very low27.9Very low86 Ų86149.6 Ų149.660%0.60177%0.771SS**  trans-97.9123.3-174.657.50000114
483E31Very low27.7Very low184 Ų184147 Ų14786%0.8677%0.767SS**  trans-138152.6157.7-70.4-156.8120.800107.6
484N27.1Very low27.9Very low100 Ų100150.6 Ų150.654%0.53577%0.771SS.*  cis149.9109.1-14.9-97.2-29.3000104.4
485T28.5Very low27.9Very low119 Ų119146.5 Ų146.573%0.7377%0.767SS**  trans44.5141.7142.663.30000123
486K30.4Very low27.9Very low190 Ų190146.1 Ų146.183%0.82676%0.764SS**  trans79.5133.4164.5-62.7172.3-178.3-1790114.3
487L26.5Very low27.9Very low148 Ų148147.6 Ų147.678%0.77576%0.763SS**  80.6117.451.6-93.8169.6000113
488M26.4Very low28.2Very low163 Ų163146.9 Ų146.980%0.80376%0.764SS**  trans65.4157.9174.4-56.1-179.8-170.700113.2
489E30.1Very low28.1Very low152 Ų152145.1 Ų145.171%0.7176%0.759SS**  cis-132.8142.6-2.9-116.8143.5147.800107.1
490L27Very low28.3Very low138 Ų138144.8 Ų144.872%0.72376%0.757SS**  59.4119.177.9-107.2173.7000115.5
491R27.6Very low28.3Very low201 Ų201148.5 Ų148.576%0.75876%0.761SS**  trans99.4140.2152.6-59.7170.4172.4157.5-2.5120.7
492N31.1Very low28.3Very low142 Ų142147.5 Ų147.576%0.75977%0.765SS**  trans66.1120.9159.5-54.8-19.8000117
493C24.9Very low28.5Very low116 Ų116149.5 Ų149.578%0.78477%0.774SS**  cis77.1140.831.6-49.70000115.2
494K30.7Very low28.5Very low192 Ų192151.9 Ų151.984%0.83578%0.775SS**  trans77119.8-167.2-54.6178-178.91800111.4
495C24Very low28.5Very low118 Ų118152.8 Ų152.880%0.79778%0.784SS**  cis67.9118.135.9-44.50000113.9
496I29.7Very low28.8Very low165 Ų165152.5 Ų152.585%0.84679%0.787SS**  trans-178.5152.4132.2-95.1154.7000109.6
497N27Very low28.7Very low134 Ų134149.7 Ų149.772%0.71778%0.779SS**  trans-94.8159.2-173.5-55.8-40.4000113.5I499N497-I499 HydrophobicContact CB-CD1 3.89Å; N497-I499 HydrophobicContact CB-CG1 3.85Å
498S30.9Very low29Very low118 Ų118149 Ų14983%0.82578%0.777SS**  trans-133.4117.7146.844.70000106.5
499I27Very low29.3Very low135 Ų135148.2 Ų148.269%0.69278%0.775SS**  cis6987.626.3-50.1180000113.4N497N497-I499 HydrophobicContact CB-CD1 3.89Å; N497-I499 HydrophobicContact CB-CG1 3.85Å
500T32.1Very low29.4Very low132 Ų132144.3 Ų144.381%0.8177%0.769SS**  trans179.8149.4137.524.10000106.6
501R28.9Very low29.7Very low237 Ų237142.8 Ų142.889%0.89477%0.77SS**  cis-147.2146.77.5-131174.7-170.11771.4109.3
502T27.1Very low29.9Very low128 Ų128139.6 Ų139.679%0.78577%0.768SS**  trans-85.6152.4166.836.50000111.4
503T31.1Very low30Very low127 Ų127138.5 Ų138.578%0.77977%0.767SS**  173.4141.9126.734.60000114.2
504R29.6Very low30Very low234 Ų234140.7 Ų140.788%0.88377%0.767SS**  trans64.2126.9159.2-63.2174.6-172.1-152.10.2117
505V28.1Very low29.9Very low120 Ų120137.3 Ų137.373%0.72776%0.763SS**  cis929531.3-179.10000114I507V505-I507 HydrophobicContact CG1-CD1 3.66Å; V505-I507 HydrophobicContact CG1-CG1 4.01Å
506S33.9Very low30.1Very low113 Ų113137.2 Ų137.279%0.7976%0.759SS**  trans-169.792.5148.651.20000106.2
507I29.5Very low29.8Very low131 Ų131136.1 Ų136.167%0.67275%0.753SS**  78.8130.168.9-66.5173.9000112.2V505V505-I507 HydrophobicContact CG1-CD1 3.66Å; V505-I507 HydrophobicContact CG1-CG1 4.01Å
508N33.2Very low29.8Very low134 Ų134135.5 Ų135.572%0.71776%0.755SS**  trans68143.7-178.9-58.7-14.7000115.7
509N31.4Very low29.9Very low145 Ų145135.6 Ų135.678%0.77575%0.75SS**  cis-169.5159-16.9-103.1-11.8000106.3
510A32.8Very low29.8Very low70 Ų70133.8 Ų133.858%0.57975%0.75SS**  cis-149.8-171.5-2.200000108.6
511S34Very low29.8Very low107 Ų107132.8 Ų132.875%0.74875%0.745SS**  trans66.4100.7-172.4620000112.1
512D32.1Very low29.8Very low133 Ų133128.3 Ų128.371%0.71174%0.738SS**  cis60.713132.6-35.2-65.9000111.5
513T32.4Very low29.9Very low119 Ų119129 Ų12973%0.7374%0.736SS**  cis-158.6130.9-0.50.30000105.9
514M25.4Very low30.1Very low163 Ų163128 Ų12880%0.80373%0.73SS**  30.7139.591.5-85.3-62.9-7200117.1
515T28.1Very low30.3Very low121 Ų121122.8 Ų122.874%0.74272%0.719SS**  trans70.4153.6-167.280.10000112.8
516T27.7Very low30.5Very low116 Ų116123.3 Ų123.371%0.71272%0.717SS**  cis-136.7160.310.2-47.50000112.6
517I24.3Very low30.6Very low142 Ų142124.2 Ų124.273%0.72871%0.713SS**  trans-31.5151.9165.5-44.2165.2000115.2
518T25.8Very low30.9Very low121 Ų121123.2 Ų123.274%0.74271%0.713SS**  trans77.3161.1155.923.80000121
519T33Very low30.9Very low119 Ų119124.3 Ų124.373%0.7372%0.718SS**  trans66.5110.6159.539.60000120
520S25.9Very low30.9Very low98 Ų98122 Ų12269%0.68571%0.713SS**  trans-28.3140.8135.551.90000114.4
521P31.8Very low31.1Very low111 Ų111123.3 Ų123.372%0.72172%0.718SS**  -133.2143.888.1165.4000113
522I28.1Very low31Very low143 Ų143123 Ų12373%0.73372%0.715SS**  75.4152.773.7-61.1163.1000112.9
523L30.1Very low31Very low142 Ų142125.1 Ų125.174%0.74372%0.719SS**  trans72.597170.3-78.2148000116.4
524T35.1Very low31Very low106 Ų106124.5 Ų124.565%0.6572%0.715SS**  90.5154.790.650.10000114.5
525N33Very low31.3Very low124 Ų124121.9 Ų121.966%0.66371%0.713SS**  cis-153.6162.34.4-127.3-15.8000112.3
526I33.9Very low31.8Very low132 Ų132121 Ų12168%0.67771%0.709SS**  trans41.1121.2137.9-67.9166.5000117.3
527N34.7Very low31.9Very low131 Ų131123.1 Ų123.170%0.70172%0.715SS**  cis-158.9159.436.8-136.3-10.7000115
528T35.9Very low32.4Very low110 Ų110122 Ų12268%0.67572%0.718SS**  trans44.7123.5155.357.30000120.8
529L33Very low32.5Very low157 Ų157122.3 Ų122.382%0.82272%0.719SS**  cis-156155.5-4.2-150.182.6000111.1
530S32.9Very low32.3Very low96 Ų96122.8 Ų122.867%0.67172%0.722SS**  trans-43.6162.5173.252.20000117.1
531S35.1Very low32.4Very low98 Ų98124.5 Ų124.569%0.68573%0.729SS**  cis-170.2131.56.227.30000107.6
532S33.4Very low32.2Very low100 Ų100124.1 Ų124.170%0.69974%0.735SS**  73.813864.681.80000114.3
533F31.9Very low32.1Very low179 Ų179123.2 Ų123.279%0.78574%0.736SS**  cis-168.5151.54.4-134.7-140.5000111
534T32.7Very low31.9Very low106 Ų106122.1 Ų122.165%0.6574%0.735SS**  trans41.1159.6133.461.90000124.2
535S31.1Very low31.3Very low108 Ų108127.8 Ų127.876%0.75575%0.747SS**  cis-171.8-145.1-14.961.50000111.5
536P39.2Very low31.1Very low101 Ų101127.5 Ų127.566%0.65675%0.749SS**  trans-136.1-168.7-135.643.5-20.1000118.4
537L29.6Very low30.6Very low161 Ų161129.7 Ų129.784%0.84376%0.756SS**  trans67.1173.6159.9-104.960.9000116.1
538P33.9Very low30.2Very low120 Ų120128.6 Ų128.678%0.77976%0.758SS**  cis-124.8-152.9-3.342-24.7000114.7
539T28.5Very low29.7Very low126 Ų126129.9 Ų129.977%0.77376%0.758SS**  trans-100.9178.9-167.153.20000115.1
540T29.2Very low29.5Very low129 Ų129129.5 Ų129.579%0.79176%0.756SS**  trans112.5154.1146.8-27.90000115.8
541T27.7Very low29.3Very low135 Ų135130.1 Ų130.183%0.82875%0.752SS**  trans-95.6128-160.449.40000114.7
542A28.2Very low29Very low103 Ų103132.4 Ų132.485%0.85176%0.756SS**  trans-163.1168.1149.700000111.7
543T26.1Very low28.8Very low124 Ų124133.1 Ų133.176%0.76175%0.751SS**  trans-76.1147.8-179.544.40000114.6
544T25.4Very low28.8Very low118 Ų118133.7 Ų133.772%0.72475%0.753SS**  trans63.7119.5147.949.10000121.8
545Y22.7Very low28.7Very low226 Ų226135.7 Ų135.789%0.88675%0.754SS**  trans79.3152.9140-94-86.8000121.7
546V27.4Very low28.7Very low118 Ų118137.4 Ų137.472%0.71576%0.755SS**  trans68.791.5170.6-155.30000117.4
547E24.1Very low28.3Very low178 Ų178138.3 Ų138.383%0.83275%0.754SS**  33.3164.3103.3-146.6161.6-146.200121.2
548C25.6Very low28.3Very low108 Ų108139.2 Ų139.273%0.7375%0.746SS**  trans75.6145178.3-55.20000116.1
549M25.4Very low28.2Very low136 Ų136141.8 Ų141.867%0.6774%0.742SS**  cis-164.3-174.8-17.2-112-137.374.700110
550L28.9Very low28.3Very low149 Ų149141 Ų14178%0.7874%0.736SS**  trans82.4116.1171.7-49.7172.1000113.9
551N28.4Very low28.5Very low110 Ų110140.7 Ų140.759%0.58873%0.73SS**  cis90.9113.842-70.7-1.2000113.4
552D30.6Very low28.8Very low145 Ų145139.6 Ų139.678%0.77572%0.719SS**  trans166103.9134.2-90.60.3000107.5
553I28.1Very low29Very low115 Ų115140.9 Ų140.959%0.5971%0.712SS**  64.887.658.3-49.7177.6000113.3
554K31.3Very low29.3Very low192 Ų192139.7 Ų139.784%0.83571%0.708SS**  trans-162.1116.2135.5-96.4134.6-171165.30107.7
555H30.3Very low29.8Very low147 Ų147140.5 Ų140.568%0.68171%0.708SS**  5499.671.4-76.3-76.7000114.2
556N32.5Very low30.3Very low145 Ų145138.7 Ų138.778%0.77571%0.707SS**  -151.8126.3112.3-88.9-34.1000107.2
557L31Very low30.5Very low119 Ų119136.2 Ų136.262%0.62370%0.695SS**  62.6129.283.2-9083.6000112.3
558R28.5Very low31Very low180 Ų180133 Ų13368%0.67969%0.692SS**  cis-166.7179.7-2.1-148.8-173.2-143.4-179.46.8109.2
559Y33Very low31.3Very low175 Ų175132.4 Ų132.469%0.68669%0.689SS**  trans73.2105.1174.9-58.9-75.2000113.2
560T29.9Very low31.6Very low108 Ų108130.4 Ų130.466%0.66369%0.689SS**  70.2136.867.4690000112.2
561N32.5Very low31.7Very low124 Ų124132 Ų13266%0.66369%0.69SS**  cis-149.9153.210.4-118.810.2000111.1
562N34Very low31.7Very low112 Ų112133.4 Ų133.460%0.59970%0.697SS**  trans55.9116.5140.7-60.226.7000118.3
563D32.6Very low31.7Very low130 Ų130133.1 Ų133.170%0.69570%0.701SS**  74.6146.382.7-53.6-43.6000112.1
564S33.3Very low32.1Very low98 Ų98133.1 Ų133.169%0.68571%0.708SS**  cis-134.4155.412.4-36.50000109.4
565L34.8Very low32Very low136 Ų136130.4 Ų130.471%0.71271%0.707SS**  42.9132.191.4-40.5171.8000113.1
566Q34Very low32Very low188 Ų188129.1 Ų129.188%0.87971%0.705SS**  cis-121.7121.732.9-69.7177.3-37.800112.2
567S31.5Very low32.1Very low65 Ų65129.2 Ų129.246%0.45570%0.701SS.*  77.210852.480.70000113
568S33.8Very low32.1Very low110 Ų110130.3 Ų130.377%0.76971%0.708SS**  84.7163.910983.50000113.2
569S32.6Very low32.3Very low96 Ų96131.5 Ų131.567%0.67172%0.718SS**  cis-146-179.46.847.10000107.4
570S32.4Very low31.9Very low94 Ų94132.2 Ų132.266%0.65772%0.724SS**  cis-151.3145.218.8-55.80000112.4
571F29.9Very low31.7Very low184 Ų184132.1 Ų132.181%0.80772%0.723SS**  trans28.1119.9131.5-67.9-93.3000119.2
572N29.2Very low31.4Very low139 Ų139134.4 Ų134.474%0.74372%0.724SS**  45.610870.9-76.5-17.3000115
573T29.9Very low31.1Very low139 Ų139138 Ų13885%0.85373%0.731SS**  -165.5121.9117.125.40000110.1
574P36.2Very low30.8Very low114 Ų114136.6 Ų136.674%0.7473%0.73SS**  trans-83.2149155.234.9-30.9000109.8
575V29.8Very low30.5Very low135 Ų135138.6 Ų138.682%0.81873%0.734SS**  trans-179.1140146.7135.20000113
576N29.9Very low30.2Very low120 Ų120140.3 Ų140.364%0.64274%0.735SS**  trans81.4151.6153.9-105.7-39.2000125.6
577H35.6Very low30Very low148 Ų148137.3 Ų137.369%0.68572%0.724SS**  trans68.9120159.6-53.5-28.5000118.1
578N30.2Very low30.1Very low142 Ų142141 Ų14176%0.75973%0.734SS**  75.488.556-73.5-21000115.4
579K32.7Very low29.8Very low204 Ų204143.3 Ų143.389%0.88773%0.732SS**  trans164.8118.8143.8-89150.8-171.9178.20106.4
580K25.9Very low29.7Very low191 Ų191144.2 Ų144.283%0.8373%0.73SS**  cis64.398.138.3-123.8-156.5-173.4-176.50112.7
581V25.1Very low29.5Very low106 Ų106147.7 Ų147.764%0.64274%0.736SS**  trans59.1132.2152.5-140.20000115.7
582Y26.4Very low29.5Very low172 Ų172143.9 Ų143.968%0.67573%0.728SS**  170.5161.785-103.4-71.1000112.5
583Y28Very low29.5Very low188 Ų188145.3 Ų145.374%0.73774%0.735SS**  trans53.4127.4163-55.5-59.2000117.6
584S25.2Very low29.3Very low99 Ų99143.1 Ų143.169%0.69272%0.722SS**  cis68.871.732.3-40.10000114.9
585N27.9Very low28.7Very low141 Ų141147.7 Ų147.775%0.75473%0.726SS**  trans-170122.8144-94.4-28.3000107.3
586K29Very low28.6Very low172 Ų172146.5 Ų146.575%0.74872%0.719SS**  86.9126.471.6-89.1-168-178.1-179.10112.9
587I29.3Very low28.4Very low125 Ų125147.8 Ų147.864%0.64173%0.725SS**  trans83.4141.4135.7-70.9176000119.2
588H32.7Very low27.9Very low142 Ų142147.5 Ų147.566%0.65773%0.728SS**  trans58.7129.4176.4-62.2-46.7000116.5
589E28.4Very low27.8Very low158 Ų158145.3 Ų145.374%0.73872%0.723SS**  cis74.6157.644.6-63.7-174.8127.400114.2
590N30.1Very low27.6Very low116 Ų116143.7 Ų143.762%0.6272%0.717SS**  trans74.2120.6-175.6-58.6-34.3000112.9
591Q27.9Very low27.6Very low167 Ų167143.6 Ų143.678%0.7871%0.712SS**  54.1119.174.3-55.5170.524.800109.2
592T29.5Very low27.8Very low104 Ų104147 Ų14764%0.63872%0.719SS**  -160.8155.960.241.80000113.7T594T592-T594 WeakPolarHBondContact CB-OG1 3.47Å; T592-T594 PolarHBondContact O-N 2.94Å; T592-T594 PolarHBondContact OG1-OG1 3.37Å
593N30.6Very low28Very low168 Ų168143.3 Ų143.390%0.89872%0.718SS**  trans-73.198.5150.4-79.3-23.8000109
594T25.4Very low28Very low94 Ų94140.2 Ų140.258%0.57771%0.714SS**  trans-154.6108.5164.930.50000108.1T592T592-T594 WeakPolarHBondContact CB-OG1 3.47Å; T592-T594 PolarHBondContact O-N 2.94Å; T592-T594 PolarHBondContact OG1-OG1 3.37Å
595Y24.1Very low28.3Very low210 Ų210142.5 Ų142.582%0.82471%0.714SS**  82.4151.578.2-98-72000113.8
596T26.2Very low28.2Very low110 Ų110142 Ų14268%0.67571%0.711SS**  trans78137.9144.737.40000122.5
597L26.8Very low28.2Very low146 Ų146141.1 Ų141.176%0.76471%0.707SS**  trans72.7108.9143.8-65162.4000117.2
598L25.1Very low28.1Very low143 Ų143140.8 Ų140.875%0.74971%0.707SS**  94.7100.359178.387.2000111.8
599S28.5Very low28Very low95 Ų95139.8 Ų139.866%0.66471%0.707SS**  trans-159.8116.6141.1-89.50000107.5
600K28.6Very low28Very low171 Ų171136 Ų13674%0.74369%0.69SS**  75131.894.9-75.1174.4-177.7173.90112.2
601Y26.1Very low28.1Very low189 Ų189136.1 Ų136.174%0.74169%0.685SS**  cis-170.9137-4.4-142.7-145.9000108.6
602K28.4Very low28.2Very low178 Ų178132.2 Ų132.277%0.77466%0.663SS**  trans63.6161.6167.4-56.2178.2-179.9-178.40113.9
603S29.5Very low28.3Very low94 Ų94132.6 Ų132.666%0.65766%0.662SS**  cis-141.5149.212.8-150.60000111.9
604N28.8Very low28.3Very low122 Ų122129.5 Ų129.565%0.65265%0.645SS**  trans23140.2134.2-5920000119.7
605Q30.6Very low28.6Very low148 Ų148130 Ų13069%0.69265%0.653SS**  cis-151.9140.1-1.6-102.7149.4-52.400105
606N26.8Very low28.9Very low130 Ų130127.9 Ų127.970%0.69565%0.65SS**  49.4145.879.3-73.335.8000115.1
607F28Very low29.1Very low154 Ų154128.2 Ų128.268%0.67565%0.648SS**  trans78.1130.2164.9-55.8-73.4000118.1
608D28.5Very low29.4Very low118 Ų118127 Ų12763%0.63164%0.642SS**  cis-172.6176.1-31.9-114.37000109.8
609D29.6Very low29.6Very low121 Ų121127.2 Ų127.265%0.64764%0.644SS**  trans76.9126.3133.3-88.3-8000124
610I29.5Very low29.7Very low77 Ų77128.5 Ų128.540%0.39565%0.652SS.*  84.5147.1118.6-72180000120.3
611K32.2Very low29.7Very low120 Ų120127.7 Ų127.752%0.52266%0.655SS.*  cis-148.9148.9-12.9-124.7166.8-158.51520114.9L768 Y769K611-L768 HydrophobicContact CG-CD1 4.29Å; K611-Y769 WeakPolarHBondContact O-CD1 3.46Å; K611-Y769 WeakPolarHBondContact O-CE1 3.35Å
612W28.9Very low30.1Very low84 Ų84123.4 Ų123.432%0.31865%0.651SS.*  trans11.9131.9139.7-78.2-114.9000117.5Q767 L768W612-Q767 HydrophobicContact CH2-CB 4.1Å; W612-Q767 HydrophobicContact CZ2-CB 3.49Å; W612-Q767 VanDerWaalsContact CZ2-CB 3.49Å; W612-Q767 HydrophobicContact CZ2-CG 3.72Å; W612-L768 HydrophobicContact CB-CD2 4.19Å; W612-L768 HydrophobicContact CD2-CB 3.67Å; W612-L768 HydrophobicContact CD2-CD1 2.29Å; W612-L768 HydrophobicContact CD2-CD2 2.6Å; W612-L768 HydrophobicContact CD2-CG 2.33Å; W612-L768 HydrophobicContact CE3-CB 2.95Å; W612-L768 HydrophobicContact CE3-CD1 2.3Å; W612-L768 HydrophobicContact CE3-CD2 3.09Å; W612-L768 HydrophobicContact CE3-CG 2.3Å; W612-L768 HydrophobicContact CG-CD1 3.47Å; W612-L768 VanDerWaalsContact CG-CD1 3.47Å; W612-L768 HydrophobicContact CG-CD2 3.22Å; W612-L768 HydrophobicContact CG-CG 3.56Å; W612-L768 HydrophobicContact CH2-CB 2.98Å; W612-L768 HydrophobicContact CH2-CD1 2.31Å; W612-L768 HydrophobicContact CH2-CD2 3.91Å; W612-L768 HydrophobicContact CH2-CG 2.31Å; W612-L768 HydrophobicContact CZ2-CB 3.68Å; W612-L768 HydrophobicContact CZ2-CD1 2.3Å; W612-L768 HydrophobicContact CZ2-CD2 3.53Å; W612-L768 HydrophobicContact CZ2-CG 2.34Å; W612-L768 HydrophobicContact CZ3-CB 2.58Å; W612-L768 HydrophobicContact CZ3-CD1 2.29Å; W612-L768 HydrophobicContact CZ3-CD2 3.76Å; W612-L768 HydrophobicContact CZ3-CG 2.33Å
613N32Very low30.1Very low113 Ų113119.1 Ų119.160%0.60464%0.643SS**  cis-149.2164.247.4-79.1-73000112.2Y769N613-Y769 PolarHBondContact N-OH 3.27Å; N613-Y769 PolarHBondContact O-OH 2.94Å
614N29.9Very low30.2Very low102 Ų102120.8 Ų120.855%0.54565%0.645SS.*  cis75.789.724.4-83.4-14000118
615S32.4Very low30.3Very low106 Ų106122.8 Ų122.874%0.74165%0.65SS**  trans-143.5125.9134.458.30000107.6
616Q30.4Very low30.4Very low164 Ų164123.4 Ų123.477%0.76665%0.652SS**  59.5134.860.6-64.3-171-19.400111.6
617N31.1Very low30.7Very low118 Ų118122.8 Ų122.863%0.63165%0.649SS**  cis-160174.88-136.1-11.6000112.5
618N33.1Very low31Very low120 Ų120122.9 Ų122.964%0.64266%0.655SS**  trans66114.5156-64-28.6000117.1
619N29.9Very low31.3Very low147 Ų147120.3 Ų120.379%0.78666%0.656SS**  88.1156.367.9-87.2-39.2000113.7
620C30Very low31.6Very low122 Ų122121.6 Ų121.682%0.82466%0.663SS**  trans74.490.3169-600000118.2
621N27.1Very low31.8Very low154 Ų154125.2 Ų125.282%0.82468%0.683SS**  -28.2160.3121-110.9-8.6000114.1
622P36Very low32Very low99 Ų99125 Ų12564%0.64370%0.697SS**  cis-144.2-177.18.841.2-21.7000116.7
623S28.2Very low32.3Very low88 Ų88128.9 Ų128.962%0.61572%0.719SS**  trans76.9160.5138.276.70000122.1
624N30.5Very low32.3Very low129 Ų129129.2 Ų129.269%0.6973%0.725SS**  trans7592150.8-65.5-12.1000120.7
625H31.2Very low32.4Very low165 Ų165132.6 Ų132.676%0.76474%0.735SS**  71.8151.6112.9-86.5-63.4000121.8
626H33.9Very low32.4Very low160 Ų160135.8 Ų135.874%0.74174%0.737SS**  trans73.3148.1155.4-83.754.8000117.4
627N32.7Very low32.3Very low117 Ų117137.2 Ų137.263%0.62674%0.741SS**  cis-166.7178.1-31.4-142.8-27000108.7
628I34.8Very low32.3Very low157 Ų157138.4 Ų138.481%0.80575%0.746SS**  trans71.8135.3165.9-52.6133.4000114.5
629G34Very low32Very low63 Ų63142.7 Ų142.765%0.64976%0.759SS**  cis174.6-165.5-4.500000113.5
630N35Very low32Very low149 Ų149142.4 Ų142.480%0.79776%0.757SS**  trans77.267.5170.3-58.42.7000118
631D35.1Very low31.8Very low152 Ų152142.3 Ų142.381%0.81376%0.758SS**  22129123-61.7-60.3000121.7
632S35.6Very low31.9Very low116 Ų116140.9 Ų140.981%0.81175%0.75SS**  -157.283.4119.9680000113.9
633Q35Very low31.6Very low166 Ų166147.6 Ų147.678%0.77677%0.765SS**  trans52.6115143.5-58-171.9300122.8
634T32Very low31.7Very low119 Ų119151 Ų15173%0.7378%0.775SS**  trans69.4137.2137.158.80000120.6
635K32.6Very low31.6Very low174 Ų174150.2 Ų150.276%0.75778%0.779SS**  cis-146135.98.5-115.4158-176.1175.50111.7
636H32.7Very low31.5Very low172 Ų172146.5 Ų146.580%0.79677%0.772SS**  trans49.496.5162.8-59.3-66.1000120.8
637K28.7Very low31.4Very low194 Ų194143.9 Ų143.984%0.84377%0.767SS**  trans-65.5171.7135.6-56.1179174.7177.50108.9
638I30.3Very low31.2Very low144 Ų144146.3 Ų146.374%0.73878%0.775SS**  -155.4128.672.7-75.1150.2000110.1L640I638-L640 HydrophobicContact CG2-CB 3.93Å
639F26Very low30.9Very low209 Ų209144.7 Ų144.792%0.91777%0.773SS**  trans-101.9138.6141.2-88.4-95.2000106.6
640L29.7Very low30.6Very low141 Ų141146.7 Ų146.774%0.73878%0.777SS**  trans-148.194.6167.8-147.579.6000109.7I638 D642I638-L640 HydrophobicContact CG2-CB 3.93Å; L640-D642 VanDerWaalsContact C-N 3.29Å; L640-D642 PolarHBondContact O-N 2.93Å
641S27.6Very low30.2Very low120 Ų120144 Ų14484%0.83977%0.769SS**  trans-89.466.3174.655.10000110.2
642D28.5Very low30Very low125 Ų125146 Ų14667%0.66877%0.771SS**  trans-14690.4176.1-90-50000109.6L640L640-D642 VanDerWaalsContact C-N 3.29Å; L640-D642 PolarHBondContact O-N 2.93Å
643Y30.2Very low29.7Very low240 Ų240147.5 Ų147.594%0.94177%0.77SS**  trans-158.6126139.2-112.4-71.5000110.5
644L29.5Very low29.4Very low158 Ų158147.8 Ų147.883%0.82777%0.769SS**  trans-72166.6-174.5-63.6149.9000112.6
645S29.1Very low29.4Very low113 Ų113149.6 Ų149.679%0.7977%0.769SS**  trans75.7137.9163-138.30000115.6
646S28.9Very low29.1Very low87 Ų87145.3 Ų145.361%0.60877%0.766SS**  cis-171.6169.9-12.539.10000110.2
647T30.5Very low28.9Very low105 Ų105143.9 Ų143.964%0.64477%0.769SS**  trans46.3102.5146.552.20000118
648E29.8Very low28.9Very low169 Ų169139.6 Ų139.679%0.7977%0.77SS**  95117.881.9-86.5175169.800114.8
649T27.9Very low28.9Very low123 Ų123140.1 Ų140.176%0.75577%0.774SS**  trans44.8132.3141.860.60000123.5
650S27.9Very low29Very low104 Ų104137.9 Ų137.973%0.72777%0.772SS**  trans97.7123.8134.678.40000120.7
651S27.6Very low28.9Very low92 Ų92138.2 Ų138.264%0.64378%0.775SS**  trans28.6130.9140.958.80000120
652F29.1Very low29.1Very low195 Ų195138.8 Ų138.886%0.85577%0.773SS**  -163.9157.369.6-116.7-86.7000113.9
653D29.7Very low29Very low148 Ų148142.6 Ų142.679%0.79178%0.778SS**  trans-63.8139157.9-85.6-60000111.3
654K30.1Very low29Very low172 Ų172139.5 Ų139.575%0.74877%0.77SS**  177.4153.5125.6-101167.2177.9176.20115.5
655H31.2Very low29.1Very low156 Ų156136.9 Ų136.972%0.72276%0.76SS**  trans38.2110.3153.9-53.4-51.4000118.5
656A27.2Very low29Very low84 Ų84140.4 Ų140.469%0.69476%0.762SS**  74.3126.77000000115.4
657T26.8Very low29.1Very low143 Ų143141.6 Ų141.688%0.87777%0.769SS**  trans56.293.2160.251.20000119
658A29.6Very low29.2Very low103 Ų103141.1 Ų141.185%0.85177%0.77SS**  trans-141.7122.8148.100000111.2
659N30.2Very low29.3Very low155 Ų155140 Ų14083%0.82977%0.768SS**  trans-46.7144.3-173.2-64.7-38000118.3
660N27.5Very low29.3Very low162 Ų162141.9 Ų141.987%0.86677%0.773SS**  trans-57.4133.3146.8-64.1-31.3000109.8
661N27.5Very low29.6Very low149 Ų149141.8 Ų141.880%0.79777%0.769SS**  trans-163.577.4157-124.1-24.5000116.9
662T32.1Very low29.6Very low131 Ų131144.9 Ų144.980%0.80478%0.778SS**  trans-163.2139.1151.839.40000109.9
663R27.1Very low29.5Very low205 Ų205142.2 Ų142.277%0.77477%0.772SS**  cis-170.6-175.7-21.5-128.7179-174.8-178.11.6107.1
664F30Very low29.3Very low176 Ų176143.9 Ų143.977%0.77277%0.773SS**  trans75135.3166.5-58.5-72.9000117.6
665T30.9Very low29.2Very low103 Ų103141.1 Ų141.163%0.63277%0.767SS**  cis-167.9152-282.30000109.3
666F28.4Very low29Very low186 Ų186140.4 Ų140.482%0.81677%0.768SS**  174.7128.1115.1-99.5-67000111.7
667C29.6Very low28.9Very low113 Ų113141.2 Ų141.276%0.76477%0.768SS**  trans54.4146.6157.6-66.70000120.1
668S32.8Very low28.9Very low95 Ų95145.4 Ų145.466%0.66477%0.768SS**  cis-167.6126.3-3.639.40000108.9
669I32.2Very low28.9Very low146 Ų146149.3 Ų149.375%0.74977%0.766SS**  106.7124.491.2-77.5174.6000113.3
670L28.1Very low28.7Very low162 Ų162147.8 Ų147.885%0.84876%0.764SS**  trans71.6156.9160-68167.8000121.2
671P34.2Very low28.6Very low102 Ų102145.8 Ų145.866%0.66275%0.754SS**  trans-142.8-143-148.740-14.5000113.9
672L26.8Very low28.5Very low157 Ų157145.1 Ų145.182%0.82275%0.75SS**  trans96.5149.7165.3-65.2164.8000118.4
673N28.2Very low28.2Very low138 Ų138147.1 Ų147.174%0.73875%0.748SS**  trans-74.4157.1175.2-45.6-57.6000110.6
674F25.9Very low28.6Very low183 Ų183145 Ų14580%0.80375%0.749SS**  -172.1168.7105-115.4-90.2000111.3
675D26.3Very low28.2Very low115 Ų115142.2 Ų142.262%0.61575%0.751SS**  trans54115.2160.8-69.1-51.7000120.2
676N27.2Very low27.9Very low141 Ų141142.3 Ų142.375%0.75476%0.756SS**  60.2109.681.1-69-50.1000112.2
677S26Very low27.8Very low100 Ų100138.9 Ų138.970%0.69976%0.755SS**  179.116561.955.10000114
678R25.7Very low27.6Very low232 Ų232139.9 Ų139.988%0.87575%0.752SS**  trans56.8122.3149.3-72.9171.7-178.2-168.90.4120.5
679K31.1Very low27.3Very low184 Ų184143 Ų14380%0.875%0.754SS**  trans-49.7153.4146.8-59175.5178.7178.40110.5
680P24.9Very low27.2Very low123 Ų123143.9 Ų143.980%0.79976%0.755SS**  -115.6128120.932.1-31.3000111.6
681N25.8Very low27.3Very low121 Ų121140.6 Ų140.665%0.64774%0.744SS**  trans-71.8165.1147.3-80.68.5000108.2
682N26.3Very low26.9Very low134 Ų134145.8 Ų145.872%0.71776%0.756SS**  trans79.6122.3151.9-68.5-2.2000120.3
683F25.8Very low27Very low174 Ų174143.3 Ų143.376%0.76375%0.747SS**  trans69.9116.9133.2-79.1-109.3000120.9
684M33.5Very low27Very low161 Ų161144.2 Ų144.279%0.79375%0.752SS**  40.7110.2129.3-65.3171.957.500118.9
685S23.6Very low27.3Very low116 Ų116138.6 Ų138.681%0.81175%0.746SS**  trans-158.1146.3142.5-810000111.1
686S24.2Very low27.5Very low105 Ų105139.7 Ų139.773%0.73476%0.757SS**  trans32.3134152.958.60000120.9
687S26.8Very low27.7Very low115 Ų115135.8 Ų135.880%0.80475%0.75SS**  cis-113.6143.75.236.60000110.7
688L25.1Very low27.9Very low134 Ų134138.2 Ų138.270%0.70276%0.755SS**  cis59.5105.815-74.6168.6000116.1
689F24.9Very low28.1Very low159 Ų159132.7 Ų132.770%0.69775%0.751SS**  trans72.3112.4159-77.6-102.6000119.9
690E31.4Very low28Very low165 Ų165128.5 Ų128.577%0.77175%0.745SS**  61.5169.3124.4-70.8-174.2172.100121.6
691P29.4Very low28.2Very low94 Ų94129.7 Ų129.761%0.6174%0.741SS**  cis-127143.9-20.421.4-0.5000114.3V693P691-V693 HydrophobicContact CB-CG2 3.91Å
692K26.7Very low28.2Very low210 Ų210131.4 Ų131.491%0.91375%0.749SS**  trans-170.575.8146.4-109.4164.1-174.11760109.6
693V27.5Very low28.4Very low105 Ų105129.8 Ų129.864%0.63675%0.749SS**  79.3100.772.6178.10000112.6P691P691-V693 HydrophobicContact CB-CG2 3.91Å
694N29.2Very low28.5Very low157 Ų157133.6 Ų133.684%0.8476%0.758SS**  trans65.3142.3148.2-56.30.4000120.4
695G31.7Very low28.5Very low66 Ų66131 Ų13168%0.6876%0.756SS**  trans124.437.2-177.300000113.3
696T30.5Very low28.7Very low138 Ų138130.8 Ų130.885%0.84775%0.746SS**  48.6130.291.561.20000114.7
697G31.3Very low28.8Very low59 Ų59131.3 Ų131.361%0.60875%0.745SS**  trans115.770.6175.800000113.3
698D30.2Very low28.6Very low151 Ų151131 Ų13181%0.80774%0.741SS**  46.4159113.1-47.1-32.6000121.4
699C31Very low28.8Very low116 Ų116129.5 Ų129.578%0.78474%0.742SS**  trans56.680.1157-650000116.4
700S28.6Very low28.9Very low96 Ų96128.7 Ų128.767%0.67175%0.745SS**  83.6128.474.770.60000115.3
701M27.8Very low28.7Very low147 Ų147127.8 Ų127.872%0.72475%0.745SS**  trans68.6149.8155.1-53.2-100.672.200117
702L27Very low28.6Very low157 Ų157130.8 Ų130.882%0.82275%0.748SS**  trans67.6126.7172.6-48.7177000114.9
703S29.7Very low28.8Very low101 Ų101127.6 Ų127.671%0.70674%0.736SS**SBendcis-162111.61.143.20000112.4
704R28.8Very low29Very low253 Ų253131.7 Ų131.796%0.95575%0.746SS**SBendtrans-1725152.2-116.7169.9177.1171.4-0.7117.8
705S33.4Very low29.2Very low107 Ų107129.3 Ų129.375%0.74874%0.739SS**  trans-157.293.3-172.955.40000113.3
706D26.8Very low29.1Very low112 Ų112135.1 Ų135.160%0.59975%0.745SS**  trans-146.9143.5177.9-67.7-76000108.1
707T26.2Very low29.5Very low116 Ų116140 Ų14071%0.71275%0.748SS**  cis-151160.8-5.11.70000111.7
708C24.2Very low29.5Very low108 Ų108142.7 Ų142.773%0.7376%0.755SS**  trans32.3100.2148.2-63.20000120
709S28.7Very low29.4Very low102 Ų102140.2 Ų140.271%0.71375%0.75SS**  25.3153.691.2-43.30000120.3
710N27.3Very low29.3Very low143 Ų143141.4 Ų141.477%0.76575%0.747SS**  trans83137.6138.2-93.2-15.7000120.3
711L25.8Very low29.3Very low146 Ų146145.3 Ų145.376%0.76476%0.755SS**  trans71.1145.9160.6-55.8159.7000114.1
712K28.6Very low29.5Very low156 Ų156144.7 Ų144.768%0.67876%0.759SS**  cis-155.9-1767.2-136.5161.1167.4-155.40111.7
713E30.3Very low29.9Very low144 Ų144140.2 Ų140.267%0.67375%0.751SS**  trans54.990.3156.4-79.8115.8-133.300119.2
714F32Very low30Very low191 Ų191142.7 Ų142.784%0.83875%0.751SS**  -2.9137.5109.9-82.4-90000115.2
715P32.8Very low30.4Very low107 Ų107136.6 Ų136.670%0.69574%0.742SS**  -149.8143.574.937.4-18.4000119
716K29.5Very low30.2Very low187 Ų187139 Ų13981%0.81374%0.741SS**  61.6119.1128.8-62.1175.7-177.2175.70121.1
717R38.9Very low30.6Very low240 Ų240141.6 Ų141.691%0.90675%0.75SS**  trans-45.2147.1137.1-62.4175.8177.1177.7-2.2110.2
718P31.3Very low31.1Very low116 Ų116143.2 Ų143.275%0.75375%0.749SS**  -131.4-166.259.128.9-6.7000111.6I720P718-I720 HydrophobicContact CB-CD1 4.5Å
719S29.1Very low31.5Very low100 Ų100144.1 Ų144.170%0.69975%0.747SS**  cis-131.9155.24.151.20000109.2
720I29.2Very low31.9Very low141 Ų141149.1 Ų149.172%0.72376%0.755SS**  cis68.7142.845.4-49172.3000111.5P718P718-I720 HydrophobicContact CB-CD1 4.5Å
721E29.1Very low31.9Very low178 Ų178152.9 Ų152.983%0.83276%0.759SS**  trans84.5135.1177.9-51.3-167.2161.900116.7
722V31.1Very low32.3Very low134 Ų134152 Ų15281%0.81276%0.76SS**  cis-157.7161.8-17112.30000109.7
723G36.4Very low32.3Very low63 Ų63149 Ų14965%0.64976%0.759SS**  trans109.882.9173.900000113.2
724H30.8Very low32.3Very low152 Ų152150.1 Ų150.170%0.70477%0.766SS**  57.390.858-72.8-81.9000114.8
725T36.8Very low32.2Very low125 Ų125145.5 Ų145.577%0.76776%0.757SS**  -174.9129.9102.6380000106.5
726E30.3Very low31.9Very low158 Ų158148.1 Ų148.174%0.73876%0.757SS**  62.1126.562.5-60.5176.8127.300110.5
727E34.9Very low31.9Very low167 Ų167145 Ų14578%0.7875%0.746SS**  -147.8163.951.5-80.2-169.4109.200117.1
728H36.3Very low31.5Very low150 Ų150142.2 Ų142.269%0.69474%0.737SS**  trans25.9126.6154.2-64.2-73.5000122.7
729N31.5Very low31.4Very low127 Ų127142.5 Ų142.568%0.67973%0.731SS**  67.6102.750.8-77.4-55.8000117.3
730K37.3Very low31.4Very low207 Ų207143.4 Ų143.490%0.973%0.728SS**  trans-175110.7144.9-102.2161.6-174.5175.50107.4
731R28.4Very low31.5Very low222 Ų222143.2 Ų143.284%0.83873%0.728SS**  cis84.963.112.3-150-170.2-167.1-164.16117.3
732T34.1Very low31.4Very low127 Ų127139.1 Ų139.178%0.77972%0.72SS**  trans-155.9126.8147.117.70000106.5
733S28.9Very low31.2Very low94 Ų94138.7 Ų138.766%0.65772%0.717SS**  cis78.81502488.70000115.8
734M30.1Very low30.9Very low167 Ų167144.5 Ų144.582%0.82373%0.725SS**  trans73.7142.3-168.1-45.3-59.5-78.400113.4
735S28.6Very low30.8Very low93 Ų93144.5 Ų144.565%0.6573%0.73SS**  cis-165.8127.2-22.439.20000106
736K28.2Very low30.6Very low163 Ų163146.2 Ų146.271%0.70973%0.729SS**  72146.881.6-155.9-154.6171.5-149.50112
737E29.6Very low30.4Very low122 Ų122146 Ų14657%0.5773%0.733SS**  trans72.9144.7173.2-61173-155.900112.6
738Y29.1Very low30.3Very low181 Ų181145.8 Ų145.871%0.7174%0.736SS**  cis178.3167.7-3.2-94.9-31000102.6
739L29.8Very low30Very low121 Ų121144 Ų14463%0.63474%0.736SS**  cis-159.1150.3-7.5-116.4162.3000108
740N28.9Very low29.7Very low120 Ų120148.7 Ų148.764%0.64274%0.744SS**  trans55.3145.4144.6-847.9000124
741N30.4Very low29.4Very low136 Ų136144.8 Ų144.873%0.72774%0.738SS**  trans66.4144.4141.3-63.61.5000119.6
742S27.8Very low29.5Very low93 Ų93142.8 Ų142.865%0.6574%0.735SS**  cis178.9146.8-25.946.90000106.4
743V27.7Very low29.4Very low125 Ų125143.7 Ų143.776%0.75873%0.734SS**  trans30.9112.7149.8-176.80000117.4
744F29.6Very low29.5Very low184 Ų184146.4 Ų146.481%0.80774%0.741SS**  -156.1118.2126.7-116.1-73.7000112
745N28.9Very low29.5Very low153 Ų153142.4 Ų142.482%0.81873%0.729SS**  trans-73.7128.4158-86.8-29.3000107.8
746H32Very low29.9Very low160 Ų160145.1 Ų145.174%0.74174%0.736SS**  trans-153.2123.5152-122.8-74.2000113.5
747N27.4Very low30.2Very low155 Ų155143.9 Ų143.983%0.82974%0.737SS**  trans-66.1134.9153.6-70.9-49.8000108.3
748L32.1Very low30.3Very low162 Ų162146.3 Ų146.385%0.84875%0.748SS**  trans-148.6138.1150.6-147.170.8000112.6
749T29.7Very low30.3Very low113 Ų113143.7 Ų143.769%0.69374%0.743SS**  trans-86159.4178.653.70000111.5
750R26Very low30.4Very low224 Ų224146.9 Ų146.985%0.84575%0.752SS**  trans54.1123.1156.4-64.8169.8166.3178.4-3.9116.2
751T30.6Very low30.5Very low125 Ų125147.1 Ų147.177%0.76775%0.749SS**  -173.4169.772.831.20000111.7
752K29.7Very low30.2Very low181 Ų181147.2 Ų147.279%0.78776%0.759SS**  trans0.7143144.1-52.4175.9-179.3-179.50115.8
753L32.2Very low30.4Very low145 Ų145147.6 Ų147.676%0.75976%0.761SS**  -168.6139.272.3-80.6159.4000111.5
754L32Very low30.3Very low152 Ų152153.6 Ų153.680%0.79677%0.77SS**  trans54.9157.4150.5-81.677.5000119.9
755S30Very low30.4Very low82 Ų82152.2 Ų152.257%0.57377%0.771SS**  cis-174139.7-34.149.40000108.2
756N36.3Very low30.3Very low150 Ų150148.9 Ų148.980%0.80276%0.759SS**  trans16589.6138.3-82.9-9.6000110.2
757L34Very low30.3Very low138 Ų138147.6 Ų147.672%0.72375%0.754SS**  trans23148.7131.9-72.7167.2000120E759L757-E759 HydrophobicContact CD2-CG 4.11Å
758Q33.1Very low30.5Very low173 Ų173143.4 Ų143.481%0.80873%0.731SS**  cis-137.913837.6-164.5164.6-3.900115.5
759E28.8Very low30.4Very low126 Ų126140.8 Ų140.859%0.58971%0.71SS**  trans-83160.2175.8-60164107.200111.7L757L757-E759 HydrophobicContact CD2-CG 4.11Å
760F31.5Very low30.5Very low187 Ų187140 Ų14082%0.8270%0.702SS**  trans-139.991.3144.6-103.7-72.4000112.1
761H31.3Very low30.7Very low125 Ų125134.2 Ų134.258%0.57970%0.696SS**  trans1.6123.7162-54.8-73.6000120.7
762C24.1Very low30.8Very low139 Ų139135.4 Ų135.494%0.93970%0.696SS**  trans-78.5117.1139.6-80.30000109.5
763S30.9Very low30.8Very low101 Ų101129.6 Ų129.671%0.70669%0.688SS**  trans-107.1117.5179.6-69.40000111.9L765S763-L765 PolarHBondContact O-N 3.5Å
764R27Very low30.6Very low251 Ų251132.5 Ų132.595%0.94769%0.69SS**  trans-70.9110.4169.7-88175.7157.6179.6-6.1111
765L30.7Very low30.5Very low155 Ų155132.5 Ų132.581%0.81269%0.686SS**  trans-135.399.8149.3-72.7167.3000104.9S763S763-L765 PolarHBondContact O-N 3.5Å
766S28Very low30.5Very low83 Ų83133.6 Ų133.658%0.5869%0.685SS**  57.9133.275.279.30000114.1
767Q30.9Very low30.3Very low133 Ų133132.2 Ų132.262%0.62168%0.677SS**  trans84.6110.9148.7-80.7171-0.800120.7W612W612-Q767 HydrophobicContact CH2-CB 4.1Å; W612-Q767 HydrophobicContact CZ2-CB 3.49Å; W612-Q767 VanDerWaalsContact CZ2-CB 3.49Å; W612-Q767 HydrophobicContact CZ2-CG 3.72Å
768L31Very low30.3Very low67 Ų67132.6 Ų132.635%0.35167%0.673SS.*  trans93.993.7136.7-55.4179.8000122.4K611 W612K611-L768 HydrophobicContact CG-CD1 4.29Å; W612-L768 HydrophobicContact CB-CD2 4.19Å; W612-L768 HydrophobicContact CD2-CB 3.67Å; W612-L768 HydrophobicContact CD2-CD1 2.29Å; W612-L768 HydrophobicContact CD2-CD2 2.6Å; W612-L768 HydrophobicContact CD2-CG 2.33Å; W612-L768 HydrophobicContact CE3-CB 2.95Å; W612-L768 HydrophobicContact CE3-CD1 2.3Å; W612-L768 HydrophobicContact CE3-CD2 3.09Å; W612-L768 HydrophobicContact CE3-CG 2.3Å; W612-L768 HydrophobicContact CG-CD1 3.47Å; W612-L768 VanDerWaalsContact CG-CD1 3.47Å; W612-L768 HydrophobicContact CG-CD2 3.22Å; W612-L768 HydrophobicContact CG-CG 3.56Å; W612-L768 HydrophobicContact CH2-CB 2.98Å; W612-L768 HydrophobicContact CH2-CD1 2.31Å; W612-L768 HydrophobicContact CH2-CD2 3.91Å; W612-L768 HydrophobicContact CH2-CG 2.31Å; W612-L768 HydrophobicContact CZ2-CB 3.68Å; W612-L768 HydrophobicContact CZ2-CD1 2.3Å; W612-L768 HydrophobicContact CZ2-CD2 3.53Å; W612-L768 HydrophobicContact CZ2-CG 2.34Å; W612-L768 HydrophobicContact CZ3-CB 2.58Å; W612-L768 HydrophobicContact CZ3-CD1 2.29Å; W612-L768 HydrophobicContact CZ3-CD2 3.76Å; W612-L768 HydrophobicContact CZ3-CG 2.33Å
769Y30.1Very low30.4Very low107 Ų107129.9 Ų129.942%0.4266%0.664SS.*  102.6149.6111-107.2-112.4000125.1K611 N613K611-Y769 WeakPolarHBondContact O-CD1 3.46Å; K611-Y769 WeakPolarHBondContact O-CE1 3.35Å; N613-Y769 PolarHBondContact N-OH 3.27Å; N613-Y769 PolarHBondContact O-OH 2.94Å
770N33.1Very low30.8Very low96 Ų96128.7 Ų128.751%0.51366%0.662SS.*  trans-12.4149169.7-59.64.6000119.3
771S30Very low30.9Very low102 Ų102127.9 Ų127.971%0.71365%0.653SS**  -164.8145.754.9-53.60000109
772I31.8Very low31.1Very low150 Ų150130.4 Ų130.477%0.76966%0.663SS**  cis63.5121.144.8-54.5-177.5000112.7
773G29.4Very low31.7Very low60 Ų60129.7 Ų129.762%0.61965%0.649SS**  trans134.7100.4-168.100000108.2
774Y27.6Very low31.8Very low206 Ų206132.9 Ų132.981%0.80865%0.65SS**  cis47.8129.336.7-66.6-83000110
775E30.3Very low32.3Very low152 Ų152127.9 Ų127.971%0.7164%0.635SS**  cis-154.3-16327.4-144.3162.5-116.600104.8
776N30.5Very low32.5Very low105 Ų105125.3 Ų125.356%0.56162%0.622SS**  cis179.2167.126.6-146.3-29.4000110.6
777L32.2Very low32.7Very low121 Ų121127.7 Ų127.763%0.63463%0.628SS**  trans65.8148.8155-55178.3000117
778K34.1Very low32.8Very low146 Ų146128 Ų12864%0.63564%0.635SS**  cis-160.8153.8-2.2-124.2169177134.40110
779N34.9Very low32.7Very low116 Ų116129.6 Ų129.662%0.6265%0.651SS**  trans62.5145.2144.1-68.34.3000116.3
780D36.3Very low32.9Very low101 Ų101135.7 Ų135.754%0.5467%0.674SS.*  cis165.9170.811.3-99.3-23.4000103.8
781R35Very low32.9Very low170 Ų170138 Ų13864%0.64269%0.686SS**  cis-163.2146.5-1.8-123.4169-80.7167.90.7106.5
782F36.1Very low33.3Very low177 Ų177138.6 Ų138.678%0.77669%0.687SS**  trans64.5157.8149.3-58.5-28.2000118.3
783L36.5Very low33.4Very low125 Ų125140.3 Ų140.365%0.65469%0.69SS**  cis-143.6143.9-8.7-138.483.5000106
784K33Very low33.9Very low168 Ų168142.5 Ų142.573%0.7369%0.693SS**  47.5142.6105.6-66.1-171.6179.2174.80116.7
785K36Very low34.1Very low146 Ų146139 Ų13964%0.63569%0.688SS**  cis-164.4160.29.9-121.2-172.8166.5-69.90111.9
786D35.3Very low34.3Very low100 Ų100138.8 Ų138.854%0.53569%0.691SS.*  trans44118142.2-54.82.8000123.8
787D33.1Very low34.4Very low133 Ų133143.5 Ų143.571%0.71170%0.701SS**  65.6150.5109.3-46.8-21.6000126
788N31.4Very low34.7Very low141 Ų141143.9 Ų143.975%0.75470%0.704SS**  trans81.393.8142.2-72.1-36.3000122.2
789S30Very low34.6Very low100 Ų100145.5 Ų145.570%0.69971%0.711SS**  93.6156.6112.181.70000121.2
790R33.2Very low34.5Very low235 Ų235144.6 Ų144.689%0.88771%0.712SS**  trans76.9106.3155.9-82.4177.9166.1167.1-4.1120.5
791D34.7Very low34.4Very low144 Ų144146.9 Ų146.977%0.7772%0.72SS**  -37.3154.6129.6-74.6-63.4000113.3
792P37.1Very low34.4Very low114 Ų114147.2 Ų147.274%0.7473%0.726SS**  cis-144.4-179.334.639-18.2000118
793F34.2Very low34.3Very low187 Ų187147.4 Ų147.482%0.8273%0.73SS**  trans-30.2150.6147.7-79.9-81.9000113.6
794P39.6Very low34.2Very low106 Ų106147.3 Ų147.369%0.68873%0.734SS**  -160.2177.75741.6-19000120.7
795N32Very low34.1Very low133 Ų133146.1 Ų146.171%0.71174%0.741SS**  93.6149129.8-110-28.8000123.5
796L35.3Very low33.9Very low147 Ų147144.9 Ų144.977%0.7775%0.751SS**  trans68.7151.6162-59.2164.8000118.9
797R33Very low33.7Very low203 Ų203146.6 Ų146.677%0.76676%0.76SS**  cis179.2154.2-45.4-116-167.9-171.8-171.31.4107.7
798N37.6Very low33.5Very low129 Ų129148.5 Ų148.569%0.6976%0.764SS**  trans71.6149.4159.2-55.3-10.2000117.8
799F32.9Very low33.7Very low181 Ų181146.6 Ų146.679%0.79476%0.759SS**  cis-159.9156.8-19.7-134.7-114000110.4
800C32.9Very low33.8Very low96 Ų96149.2 Ų149.265%0.64976%0.764SS**  trans60.5118.2155.2-880000125.5
801Q33.9Very low33.8Very low149 Ų149143.6 Ų143.670%0.69676%0.761SS**  84.8130.1127.8-78.5-164.216.400124.4
802K33.6Very low33.7Very low178 Ų178145.2 Ų145.277%0.77476%0.764SS**  trans62.3114.5152.9-62.1169.3-179.11710116.2
803Q34.8Very low33.3Very low181 Ų181145 Ų14585%0.84677%0.765SS**  -155.8149.853-74.2177.5-10.600113.8
804T33.7Very low33.2Very low123 Ų123142.1 Ų142.176%0.75576%0.763SS**  trans24.594.9158.3500000120.8
805T31Very low32.6Very low142 Ų142143.5 Ų143.587%0.87177%0.769SS**  trans48.187.2135.555.70000118.3
806S33.3Very low32.7Very low120 Ų120142.9 Ų142.984%0.83978%0.775SS**  trans-92.4167.3169.459.30000113.8
807N30Very low32.4Very low136 Ų136141.2 Ų141.273%0.72778%0.776SS**  trans-73.8-178.5176.1-62.7-48.6000114.3
808H28.4Very low32.1Very low173 Ų173136.4 Ų136.480%0.80178%0.78SS**  trans111.6150.5143-73.2-47.6000119.3
809P37.4Very low31.8Very low101 Ų101134.2 Ų134.266%0.65678%0.779SS**  trans-132.4-151.4-141.935.6-11.4000113
810I31.6Very low31.7Very low155 Ų155132.5 Ų132.580%0.79578%0.783SS**  trans78.9107.5169.1-48.2166.9000115.3
811S33.8Very low31.8Very low117 Ų117135.5 Ų135.582%0.81879%0.792SS**  trans-161.4142.8140.259.80000109.6
812E30.8Very low32Very low179 Ų179139 Ų13984%0.83680%0.799SS**  trans-93.3-175.1-176.6-57.2178.1122.700112.9
813S29Very low32.2Very low108 Ų108136 Ų13676%0.75580%0.797SS**  trans99.7159.2151.583.80000120.3
814T32.3Very low32.4Very low128 Ų128133.3 Ų133.379%0.78580%0.796SS**  trans58.881.4172.344.20000118.6
815V28.2Very low32.5Very low134 Ų134138.9 Ų138.981%0.81280%0.803SS**  trans-3.8125.2135.4-176.80000115.7
816S32.7Very low32.9Very low120 Ų120137.4 Ų137.484%0.83980%0.796SS**  trans-146137.9151.5-81.80000110
817S29.3Very low33Very low113 Ų113137.9 Ų137.979%0.7980%0.796SS**  trans-84.9163.9-165.9-63.60000114.2
818A26.5Very low33.1Very low102 Ų102140.1 Ų140.184%0.84380%0.802SS**  trans72.287.6158.700000119.1
819A31.3Very low33.1Very low82 Ų82142.9 Ų142.968%0.67881%0.805SS**  trans-145.5103.8138.100000110.2L821A819-L821 VanDerWaalsContact C-N 3.27Å; A819-L821 HydrophobicContact CB-CG 4.36Å; A819-L821 PolarHBondContact O-N 3.43Å
820V30.3Very low32.7Very low145 Ų145144 Ų14488%0.87981%0.81SS**  trans-80.176.4179.7-175.50000110.1R822V820-R822 PolarHBondContact O-N 3.09Å
821L35.2Very low32.4Very low159 Ų159142.9 Ų142.983%0.83281%0.811SS**  trans-80.4103.4177.1-66.1176.3000110.3A819A819-L821 VanDerWaalsContact C-N 3.27Å; A819-L821 HydrophobicContact CB-CG 4.36Å; A819-L821 PolarHBondContact O-N 3.43Å
822R38.5Very low32.2Very low223 Ų223142.9 Ų142.984%0.84281%0.811SS**PPolyproline II helixtrans-61.4145.2171-71.8176.8170.5144.4-3110.4V820V820-R822 PolarHBondContact O-N 3.09Å
823P38.6Very low32.3Very low115 Ų115141.9 Ų141.975%0.74781%0.811SS**PPolyproline II helixtrans-58.4146.2169.726.1-34.2000110.7
824P38.3Very low32.4Very low125 Ų125141.7 Ų141.781%0.81282%0.815SS**PPolyproline II helixtrans-65.1137.8-172.425.8-34.4000111.9
825R36.1Very low32.4Very low240 Ų240145.4 Ų145.491%0.90682%0.815SS**PPolyproline II helixtrans-64.6138.8172.2-88.9-178169.8164.8-3110.4
826P39.2Very low32.5Very low111 Ų111144 Ų14472%0.72180%0.803SS**PPolyproline II helixtrans-56.1143.1165.4-23.834.1000111.2Q828P826-Q828 PolarHBondContact O-N 2.9Å
827P36.1Very low32.6Very low129 Ų129142.2 Ų142.284%0.83878%0.781SS**PPolyproline II helixtrans-66.1128.3-176.625.8-33.8000111.9
828Q31.4Very low32.9Very low183 Ų183143.7 Ų143.786%0.85578%0.776SS**PPolyproline II helixtrans-91.6153.3164.2-67.5-175.1-22.200109.8P826P826-Q828 PolarHBondContact O-N 2.9Å
829R28.8Very low33.2Very low231 Ų231142.8 Ų142.887%0.87276%0.761SS**  trans74.3150.9-177.1-57.9179.4138.2-158.1-2.4114.2
830T28.7Very low33.1Very low124 Ų124143 Ų14376%0.76176%0.757SS**  cis-152.8161.7-138.90000110.6
831T26.5Very low33.2Very low132 Ų132146.7 Ų146.781%0.8176%0.756SS**  trans-86.7126.8171.255.10000113.2
832S28.9Very low33Very low118 Ų118144.3 Ų144.383%0.82575%0.748SS**  trans-165.3152.1141.442.30000110.7
833L31.6Very low32.7Very low158 Ų158139.4 Ų139.483%0.82774%0.738SS**  trans-96.9155.9173.5-58.188.4000109.6
834A31.5Very low32.4Very low103 Ų103141.2 Ų141.285%0.85174%0.737SS**  trans-121131.7139.400000107.7
835R33Very low32Very low207 Ų207141.3 Ų141.378%0.78173%0.729SS**  trans-98.5169.9151.2-60.2-178.1-178.1141.1-5.5106.3
836D31.1Very low31.8Very low103 Ų103137.2 Ų137.255%0.55173%0.725SS**  -138.4-175100.6-109.5-26.7000108.1I259I259-D836 HydrophobicContact CG1-CB 3.55Å
837H34Very low31.3Very low84 Ų84136 Ų13639%0.38972%0.719SS.*  176.8139.188-110.2-132.4000107.5P256 T257 F258 I259P256-H837 HydrophobicContact CB-CB 4.46Å; T257-H837 VanDerWaalsContact CA-ND1 3.29Å; T257-H837 WeakPolarHBondContact CA-ND1 3.47Å; T257-H837 PolarHBondContact N-ND1 3.48Å; T257-H837 CarbonylContact O-C 2.89Å; T257-H837 VanDerWaalsContact O-CA 3.23Å; T257-H837 WeakPolarHBondContact O-CA 3.39Å; T257-H837 WeakPolarHBondContact O-CB 3.41Å; T257-H837 PolarHBondContact O-ND1 3.15Å; F258-H837 PolarHBondContact N-ND1 3.14Å; F258-H837 CarbonylContact O-C 3.52Å; F258-H837 WeakPolarHBondContact O-CA 3.39Å; I259-H837 WeakPolarHBondContact CB-NE2 3.37Å; I259-H837 WeakPolarHBondContact CD1-NE2 3.33Å; I259-H837 VanDerWaalsContact CG1-CD2 3.44Å; I259-H837 WeakPolarHBondContact CG1-CD2 3.5Å; I259-H837 VanDerWaalsContact CG1-NE2 3.27Å; I259-H837 WeakPolarHBondContact CG1-NE2 3.49Å; I259-H837 PolarHBondContact N-CD2 3.31Å; I259-H837 VanDerWaalsContact N-CD2 3.34Å; I259-H837 PolarHBondContact N-CE1 3.42Å; I259-H837 VanDerWaalsContact N-CE1 3.31Å; I259-H837 PolarHBondContact N-NE2 3.27Å
838Q35.6Very low31.2Very low143 Ų143136 Ų13667%0.66872%0.717SS**  trans-125.6-158.1178.3-144.1-158.45.400117.2T257 F258T257-Q838 CarbonylContact C-O 3.6Å; T257-Q838 VanDerWaalsContact C-O 3.31Å; T257-Q838 CarbonylContact O-C 3.45Å; T257-Q838 PolarHBondContact O-N 3.18Å; F258-Q838 WeakPolarHBondContact CB-O 3.42Å; F258-Q838 PolarHBondContact O-N 3.34Å
839P32.6Very low31.1Very low84 Ų84134 Ų13455%0.54571%0.713SS.*  -157.4178.994.640.2-18000117.2F258F258-P839 HydrophobicContact CB-CB 4.17Å; F258-P839 HydrophobicContact CD1-CB 4.22Å; F258-P839 HydrophobicContact CG-CB 4.24Å
840S29.2Very low31.4Very low85 Ų85129.3 Ų129.359%0.59471%0.709SS**  trans-80.6163-170.852.80000118.6
841R33.5Very low31.4Very low224 Ų224127.6 Ų127.685%0.84570%0.703SS**  175.1118.5114-95.2-175.4178.8-169.8-2112.2
842T30.9Very low31.4Very low108 Ų108127.1 Ų127.166%0.66370%0.703SS**  61.2130.493.2620000114.9
843N30.4Very low31.5Very low121 Ų121127.1 Ų127.165%0.64770%0.703SS**  cis-136.8-151.4-1.6-87.6-12.1000109
844E32.8Very low31.4Very low152 Ų152125.4 Ų125.471%0.7170%0.704SS**  cis-148.9155.62.4-126.9105.9-131.100106.2
845I29.5Very low31.2Very low128 Ų128131.3 Ų131.366%0.65671%0.705SS**  66.590.352.2-43.8179.8000116
846N32.9Very low30.9Very low154 Ų154126.1 Ų126.182%0.82470%0.7SS**  -175.4161.8125.4-94.4-33000110.7
847S28.5Very low30.9Very low85 Ų85126.9 Ų126.959%0.59471%0.714SS**  cis171.3103.3-39-900000107.6
848T34Very low30.8Very low128 Ų128129.1 Ų129.179%0.78574%0.735SS**  trans173.2111.1160.718.40000106.3
849D28.6Very low30.5Very low143 Ų143127.2 Ų127.277%0.76574%0.738SS**  66.3126.182.8-62.6-48.7000112.7
850T35.1Very low30.3Very low131 Ų131134.1 Ų134.180%0.80475%0.753SS**  cis-135.2131.836.522.60000116.8
851S30.2Very low30.2Very low89 Ų89136.4 Ų136.462%0.62276%0.759SS**  trans30.1121.3134.766.40000122.7
852C26.5Very low30Very low122 Ų122131 Ų13182%0.82475%0.75SS**  47.6122.1119.2-52.70000121.5
853S31.2Very low29.9Very low117 Ų117132.3 Ų132.382%0.81875%0.753SS**  -162.5120.8120.4-900000114.1
854S28.3Very low29.6Very low122 Ų122131 Ų13185%0.85375%0.753SS**  trans-106112.3156.3-570000108.3
855R27.5Very low29.4Very low228 Ų228128.2 Ų128.286%0.8675%0.751SS**  trans-173.9123.1171.2-101.4147.7167.2-152.7-6.9106.1
856S26.4Very low29.3Very low98 Ų98127.1 Ų127.169%0.68575%0.75SS**  66.5105.656.481.30000113.6
857S31.1Very low29.2Very low119 Ų119127 Ų12783%0.83275%0.745SS**  trans46.9136.3158.3-51.20000119.5
858P32.2Very low29.3Very low130 Ų130128.7 Ų128.784%0.84475%0.747SS**  -130.1151.5103.237.1-31.5000114
859S29.6Very low29.4Very low103 Ų103127.1 Ų127.172%0.7274%0.739SS**  trans-84.1-173.5161.656.20000110.5
860R27.1Very low29.5Very low230 Ų230127.3 Ų127.387%0.86874%0.74SS**  trans86.5145.3-170.2-54.7176.3-169.7-173.71.8112.1
861N27.5Very low29.2Very low133 Ų133125.2 Ų125.271%0.71173%0.73SS**  cis-149.3153.712.8-134.813.2000112
862V29.5Very low29.2Very low109 Ų109128 Ų12866%0.66173%0.734SS**  trans54.1119.7146.3176.60000117.4
863N28.7Very low29.3Very low137 Ų137127.6 Ų127.673%0.73373%0.727SS**  cis-156.8176.44.2-127.57.7000113.4
864S25.4Very low29.1Very low92 Ų92132 Ų13264%0.64373%0.727SS**  trans-35.9156.5151.560.60000113.9
865S27Very low29.1Very low94 Ų94129.4 Ų129.466%0.65771%0.709SS**  cis-165.1177.541.356.50000113.6
866T28.8Very low29Very low105 Ų105124 Ų12464%0.64470%0.702SS**  trans29.1130.8138.857.80000118
867Q29.7Very low28.9Very low153 Ų153124.5 Ų124.572%0.71570%0.701SS**  cis161.2169.436.1-107.4178.1-75.700103.7
868D30.5Very low28.7Very low120 Ų120125.4 Ų125.464%0.64270%0.695SS**  cis-145.8-177.9-17-125.6-8.4000107.2
869P36.4Very low28.3Very low94 Ų94123.8 Ų123.861%0.6169%0.686SS**  trans-94-130.4-169.940.8-37.4000110.2
870N30Very low28.3Very low148 Ų148122.4 Ų122.479%0.79169%0.688SS**  trans67.1140-179.8-50.9-36.1000111.6
871S29.9Very low28.3Very low86 Ų86117.8 Ų117.860%0.60168%0.679SS**  cis1721571.7179.10000102.3
872Q31.1Very low28.2Very low149 Ų149115.7 Ų115.770%0.69668%0.675SS**  cis-128.8148.47.2-121.5113.9-17.700104.9Y874Q872-Y874 HydrophobicContact CG-CD2 4.46Å
873V27.3Very low28Very low113 Ų113117.5 Ų117.569%0.68568%0.681SS**  41.965.254.3-167.90000111.5
874Y28.2Very low28.2Very low208 Ų208115.4 Ų115.482%0.81668%0.675SS**  -147.4127.7118.3-87.3-80.3000106.7Q872Q872-Y874 HydrophobicContact CG-CD2 4.46Å
875S27Very low28.2Very low68 Ų68115.7 Ų115.748%0.47667%0.669SS.*  cis147.8146.92.7-101.80000104.3
876T25.1Very low28.1Very low115 Ų115116.6 Ų116.671%0.70666%0.658SS**  trans50.9135.8133.374.30000120
877T25.1Very low27.9Very low108 Ų108117 Ų11766%0.66365%0.649SS**  cis177.9-176.67.723.50000108
878I25.6Very low27.9Very low138 Ų138113.9 Ų113.971%0.70864%0.644SS**  trans62.496.2134.6-73.9159000115.6
879C25.5Very low27.7Very low97 Ų97115 Ų11566%0.65565%0.645SS**  72.1-174.5126.9-56.70000116.7L881C879-L881 HydrophobicContact CB-CD1 4.11Å; C879-L881 HydrophobicContact CB-CG 4.31Å
880G27.8Very low27Very low74 Ų74116 Ų11676%0.76365%0.653SS**  trans66.758.3-13600000109.1
881L27.2Very low27.5Very low132 Ų132116.9 Ų116.969%0.69165%0.65SS**  42.5120.759.7-87.4170.9000111.4C879C879-L881 HydrophobicContact CB-CD1 4.11Å; C879-L881 HydrophobicContact CB-CG 4.31Å
882S25.6Very low27.4Very low90 Ų90118.4 Ų118.463%0.62966%0.658SS**  trans24.7137.8137.468.80000117.8
883N25.8Very low27.4Very low147 Ų147117.2 Ų117.279%0.78666%0.656SS**  cis-170.2-165.944-138.4-3.6000109.1
884P32.6Very low27.5Very low92 Ų92117.6 Ų117.660%0.59765%0.654SS**  trans-115.6-110.6-13335.9-14.1000109.7
885N25.4Very low27.5Very low98 Ų98114 Ų11452%0.52465%0.649SS.*  trans75.3119.4172-57.8-24000113.9
886R25.2Very low27.6Very low113 Ų113116 Ų11643%0.42665%0.654SS.*  60.3135.986.6-54.1165.7-140.8-166.8-3.8110.7N319 T320N319-R886 PolarHBondContact O-NH1 2.62Å; N319-R886 PolarHBondContact O-NH2 3.18Å; T320-R886 PolarHBondContact O-NH1 3.08Å; T320-R886 PolarHBondContact OG1-NH1 2.76Å
887Y25.9Very low28.1Very low114 Ų114117.2 Ų117.245%0.44765%0.653SS.*  cis-139.6150.421.8-68.2-93.9000108.1T320 K321T320-Y887 PolarHBondContact O-OH 2.73Å; K321-Y887 VanDerWaalsContact C-CE1 3.41Å; K321-Y887 WeakPolarHBondContact O-CE1 3.41Å; K321-Y887 PolarHBondContact O-OH 2.76Å; K321-Y887 VanDerWaalsContact O-OH 3.05Å
888S28.1Very low28.2Very low88 Ų88117.9 Ų117.962%0.61565%0.653SS**  cis62.474.939.183.30000115.7
889H26.4Very low28.3Very low142 Ų142117.8 Ų117.866%0.65765%0.654SS**  trans-177.8152.9154.4-85.1-46.6000107.8
890C22.9Very low28.6Very low115 Ų115121.2 Ų121.278%0.77766%0.66SS**  cis-160-174.8-29-122.40000107.4
891K39.1Very low28.7Very low168 Ų168125.1 Ų125.173%0.7366%0.662SS**  trans-71172.7167.1-52.1-174.8-179.41780110.6L893K891-L893 HydrophobicContact CD-CD1 4.15Å
892P28.8Very low29Very low118 Ų118123.7 Ų123.777%0.76666%0.661SS**  -113.9161.164.943.3-38.7000110.9
893L30.9Very low29Very low124 Ų124124.7 Ų124.765%0.64966%0.659SS**  cis55.4141.247-11969.6000109.2K891K891-L893 HydrophobicContact CD-CD1 4.15Å
894D28.4Very low29.2Very low120 Ų120125.5 Ų125.564%0.64266%0.656SS**  cis-134.9175.217.2-53.6-59.2000107.1
895N29.7Very low28.9Very low134 Ų134129 Ų12972%0.71767%0.669SS**  cis-168.3159.430.5-106.1-50.4000105.8
896N28.4Very low29.1Very low108 Ų108131.7 Ų131.758%0.57868%0.681SS**  cis-163.6169.2-16.3-154.3-31.7000108.1
897M36.6Very low29.2Very low142 Ų142133.4 Ų133.470%0.770%0.699SS**  trans67.3115173.5-47.7-54.3172.200116
898N26.4Very low29.4Very low122 Ų122138 Ų13865%0.65272%0.721SS**  67.2124.355.4-54-32.4000110.8
899N27.7Very low29.4Very low135 Ų135142.8 Ų142.872%0.72273%0.734SS**  cis-163.6161.340.3-112.4-25.4000115.7
900H31.4Very low29.6Very low169 Ų169141.8 Ų141.878%0.78274%0.738SS**  trans61.4108.2150.3-78.4-71.8000124.2
901L30.2Very low29.9Very low156 Ų156141.2 Ų141.282%0.81774%0.735SS**  trans-46.1167.1135.6-114.668.4000113.4
902P34.1Very low29.4Very low102 Ų102140 Ų14066%0.66274%0.736SS**  cis-141.2-159.29.141.4-20.3000115.7
903D25.7Very low29.5Very low112 Ų112141.5 Ų141.560%0.59974%0.737SS**  trans94.3102.1145.7-9712.7000122.4
904K28.5Very low29.4Very low164 Ų164143 Ų14371%0.71375%0.746SS**  72.9133.2126.6-67.7177.3-179880121
905L28.1Very low29.3Very low165 Ų165140 Ų14086%0.86473%0.734SS**  trans69.5119.2162.6-58.6166.3000117.2
906I29Very low29.5Very low155 Ų155139.4 Ų139.480%0.79574%0.738SS**  trans165.4117.3138.5-85.4156.1000109
907D27.5Very low29.8Very low148 Ų148142.1 Ų142.179%0.79175%0.747SS**  trans33.796.4150.5-49.4-15.9000119.2
908K28.8Very low29.6Very low211 Ų211140.8 Ų140.892%0.91774%0.742SS**  trans-106.941.4-176.2-156.2-178.8-179.6178.80114.4
909E29.3Very low29.9Very low188 Ų188142.3 Ų142.388%0.87975%0.751SS**  trans-138.933.6-175.8-140.1176.3-11100115.8
910V30.9Very low30.4Very low122 Ų122140.5 Ų140.574%0.73975%0.745SS**  trans-134.156.1178.3-161.30000113.2
911S27.5Very low31.1Very low102 Ų102134.5 Ų134.571%0.71372%0.72SS**  trans-127.9-24.1-176-63.70000117.3L913S911-L913 VanDerWaalsContact C-N 3.34Å; S911-L913 PolarHBondContact O-N 2.72Å
912D29.7Very low31.8Very low142 Ų142133.8 Ų133.876%0.75971%0.706SS**G310 helixtrans-88.38.8-168.7-69.2-15.1000115.5N914D912-N914 VanDerWaalsContact C-N 3.31Å; D912-N914 PolarHBondContact O-N 2.77Å
913L31.6Very low32.3Very low151 Ų151133.2 Ų133.279%0.79169%0.691SS**G310 helixtrans-80-0-171.3-87164.7000115.9S911S911-L913 VanDerWaalsContact C-N 3.34Å; S911-L913 PolarHBondContact O-N 2.72Å
914N28.8Very low33.4Very low155 Ų155128.9 Ų128.983%0.82967%0.67SS**G310 helixtrans-114.38.4-172.6-71.3-34.7000115.3D912D912-N914 VanDerWaalsContact C-N 3.31Å; D912-N914 PolarHBondContact O-N 2.77Å
915S25.8Very low34.4Very low56 Ų56128.4 Ų128.439%0.39267%0.67SS.*  trans-76.5126.7169.9177.50000111.2E917S915-E917 PolarHBondContact O-N 3.04Å; S915-E917 PolarHBondContact OG-N 2.99Å
916P32.5Very low35.7Very low123 Ų123126.4 Ų126.480%0.79966%0.659SS**THydrogen-bonded Turntrans-73.3-1177.632-36000113.9
917E35.7Very low37Very low165 Ų165122.1 Ų122.177%0.77164%0.638SS**THydrogen-bonded Turntrans-93.5-10.3-177.6-59.4-172.913300113.4S915 D919S915-E917 PolarHBondContact O-N 3.04Å; S915-E917 PolarHBondContact OG-N 2.99Å; E917-D919 PolarHBondContact O-N 3.09Å
918N31.8Very low38.4Very low113 Ų113119.3 Ų119.360%0.60463%0.627SS**  trans-80.734.5-179.4-87.4-22.5000114.4T920N918-T920 PolarHBondContact O-N 2.94Å; N918-T920 VanDerWaalsContact O-N 3.09Å
919D33.6Very low39.4Very low154 Ų154115.6 Ų115.682%0.82461%0.608SS**  trans-76.915.2170.6-139.613.2000112.2E917 V921E917-D919 PolarHBondContact O-N 3.09Å; D919-V921 PolarHBondContact O-N 3.44Å
920T37.1Very low40.9Very low97 Ų97112.9 Ų112.960%0.59559%0.594SS**SBendtrans-6861.2171.429.40000112.7N918N918-T920 PolarHBondContact O-N 2.94Å; N918-T920 VanDerWaalsContact O-N 3.09Å
921V46.6Very low42Very low43 Ų43110 Ų11026%0.26158%0.577SS.*  trans59.571.6136.3172.70000113.1D919 W923 S924D919-V921 PolarHBondContact O-N 3.44Å; V921-W923 HydrophobicContact CG1-CD2 3.33Å; V921-W923 HydrophobicContact CG1-CE3 3.67Å; V921-W923 HydrophobicContact CG1-CG 3.85Å; V921-W923 HydrophobicContact CG1-CH2 3.84Å; V921-W923 HydrophobicContact CG1-CZ2 3.51Å; V921-W923 HydrophobicContact CG1-CZ3 3.9Å; V921-W923 HydrophobicContact CG2-CZ2 4.27Å; V921-W923 PolarHBondContact O-N 3.43Å; V921-S924 WeakPolarHBondContact O-CB 3.33Å; V921-S924 PolarHBondContact O-N 3.07Å; V921-S924 PolarHBondContact O-OG 2.84Å
922W45.3Very low43.7Very low142 Ų142109.7 Ų109.754%0.53858%0.576SS.*G310 helixtrans-51.1-26.1173.966.5-84.4000114.1S924 H925 L926W922-S924 VanDerWaalsContact C-N 3.29Å; W922-S924 PolarHBondContact O-N 3.47Å; W922-H925 PolarHBondContact O-CD2 2.98Å; W922-H925 PolarHBondContact O-N 3.19Å; W922-L926 HydrophobicContact CE3-CD1 4.22Å; W922-L926 HydrophobicContact CZ3-CD1 3.73Å
923W43.7Very low45.2Very low89 Ų89107.9 Ų107.934%0.33757%0.566SS.*G310 helixtrans-74.3-11.4175.458.1-102000114.5V921 H925 L926 L927 L948 L950V921-W923 HydrophobicContact CG1-CD2 3.33Å; V921-W923 HydrophobicContact CG1-CE3 3.67Å; V921-W923 HydrophobicContact CG1-CG 3.85Å; V921-W923 HydrophobicContact CG1-CH2 3.84Å; V921-W923 HydrophobicContact CG1-CZ2 3.51Å; V921-W923 HydrophobicContact CG1-CZ3 3.9Å; V921-W923 HydrophobicContact CG2-CZ2 4.27Å; V921-W923 PolarHBondContact O-N 3.43Å; W923-H925 VanDerWaalsContact C-N 3.26Å; W923-H925 PolarHBondContact O-N 3.38Å; W923-L926 PolarHBondContact O-N 3.22Å; W923-L926 VanDerWaalsContact O-N 3.13Å; W923-L927 HydrophobicContact CE3-CD1 3.94Å; W923-L927 HydrophobicContact CE3-CG 4.44Å; W923-L927 HydrophobicContact CZ3-CD1 3.76Å; W923-L927 PolarHBondContact O-N 3.41Å; W923-L948 HydrophobicContact CH2-CD1 4.38Å; W923-L948 HydrophobicContact CZ3-CD1 4.43Å; W923-L950 HydrophobicContact CH2-CD2 3.63Å; W923-L950 HydrophobicContact CH2-CG 4.14Å; W923-L950 HydrophobicContact CZ2-CD2 4.26Å; W923-L950 HydrophobicContact CZ3-CD2 4.49Å
924S48.7Very low47.2Very low22 Ų22102.2 Ų102.215%0.15454%0.536CS..G310 helixtrans-66.3-28.9171.160.70000112.6V921 W922 L926 L927V921-S924 WeakPolarHBondContact O-CB 3.33Å; V921-S924 PolarHBondContact O-N 3.07Å; V921-S924 PolarHBondContact O-OG 2.84Å; W922-S924 VanDerWaalsContact C-N 3.29Å; W922-S924 PolarHBondContact O-N 3.47Å; S924-L926 PolarHBondContact O-N 3.21Å; S924-L927 PolarHBondContact O-N 3.06Å
925H51.3Low49.4Very low153 Ų15398.6 Ų98.671%0.70852%0.521SS*.G310 helixtrans-72.9-14.5173.4-55.7-90.8000113W922 W923W922-H925 PolarHBondContact O-CD2 2.98Å; W922-H925 PolarHBondContact O-N 3.19Å; W923-H925 VanDerWaalsContact C-N 3.26Å; W923-H925 PolarHBondContact O-N 3.38Å
926L54.4Low51.5Low123 Ų12399.6 Ų99.664%0.64453%0.528SS*.G310 helixtrans-95.2-4.6174.3-62.4177.2000112.9W922 W923 S924W922-L926 HydrophobicContact CE3-CD1 4.22Å; W922-L926 HydrophobicContact CZ3-CD1 3.73Å; W923-L926 PolarHBondContact O-N 3.22Å; W923-L926 VanDerWaalsContact O-N 3.13Å; S924-L926 PolarHBondContact O-N 3.21Å
927L56Low53.4Low66 Ų6699.7 Ų99.735%0.34652%0.522SS..SBendtrans-90.7134.1172.2-68178.6000109.6W923 S924 Y929W923-L927 HydrophobicContact CE3-CD1 3.94Å; W923-L927 HydrophobicContact CE3-CG 4.44Å; W923-L927 HydrophobicContact CZ3-CD1 3.76Å; W923-L927 PolarHBondContact O-N 3.41Å; S924-L927 PolarHBondContact O-N 3.06Å; L927-Y929 WeakPolarHBondContact CB-O 3.41Å; L927-Y929 PolarHBondContact O-N 2.94Å
928P57.8Low55.1Low89 Ų8994.8 Ų94.858%0.57850%0.501SS*.SBendtrans-65.9-4.917427.9-34.7000113.4
929Y49.6Very low56.8Low132 Ų13290.2 Ų90.252%0.51848%0.479SS..SBendtrans-131.5119.9172.3-53.3-76.1000109.2L927 L934L927-Y929 WeakPolarHBondContact CB-O 3.41Å; L927-Y929 PolarHBondContact O-N 2.94Å; Y929-L934 HydrophobicContact CD2-CD2 4.32Å; Y929-L934 HydrophobicContact CG-CD2 4.19Å
930K60.2Low58.4Low132 Ų13286 Ų8657%0.57446%0.456SS*.  trans-56.8149.7163.3-67.3-176.9179.1-179.30109S932 N933 L934K930-S932 WeakPolarHBondContact CB-OG 3.46Å; K930-S932 PolarHBondContact O-N 3.11Å; K930-N933 HydrophobicContact CB-CB 4.47Å; K930-N933 PolarHBondContact O-N 2.92Å; K930-L934 PolarHBondContact O-N 3.19Å
931P54.4Low60Low60 Ų6085.8 Ų85.839%0.3944%0.444SS..G310 helixtrans-55.7-26.3178.1-2836.1000114.7N933 L950P931-N933 VanDerWaalsContact C-N 3.34Å; P931-L950 HydrophobicContact CB-CD1 4.37Å
932S63.3Low61Low97 Ų9785.8 Ų85.868%0.67844%0.442SS*.G310 helixtrans-70.9-21.7172.550.20000114.9K930K930-S932 WeakPolarHBondContact CB-OG 3.46Å; K930-S932 PolarHBondContact O-N 3.11Å
933N61.6Low62.1Low104 Ų10486.5 Ų86.556%0.55645%0.445SS*.G310 helixtrans-109.13.8-170.3-62.736.7000112.2K930 P931K930-N933 HydrophobicContact CB-CB 4.47Å; K930-N933 PolarHBondContact O-N 2.92Å; P931-N933 VanDerWaalsContact C-N 3.34Å
934L73.4Confident63.4Low32 Ų3289.7 Ų89.717%0.16846%0.464CS..SBendtrans-73.3128.3171-72.9168.5000109.5Y929 K930 S936 L938 A939 L948Y929-L934 HydrophobicContact CD2-CD2 4.32Å; Y929-L934 HydrophobicContact CG-CD2 4.19Å; K930-L934 PolarHBondContact O-N 3.19Å; L934-S936 PolarHBondContact O-N 2.9Å; L934-L938 HydrophobicContact CD2-CD2 3.85Å; L934-L938 HydrophobicContact CD2-CG 4.33Å; L934-A939 HydrophobicContact CB-CB 4.23Å; L934-L948 HydrophobicContact CD1-CD2 4.24Å
935P74.2Confident64.1Low78 Ų7895.4 Ų95.451%0.50648%0.482SS..  trans-54.2139.2168.6-25.134.3000110.6N937 L938 A939P935-N937 PolarHBondContact O-N 3.45Å; P935-N937 VanDerWaalsContact O-N 3.13Å; P935-L938 HydrophobicContact CB-CB 4.41Å; P935-L938 WeakPolarHBondContact O-CA 3.44Å; P935-L938 WeakPolarHBondContact O-CB 3.39Å; P935-L938 PolarHBondContact O-N 3.09Å; P935-A939 PolarHBondContact O-N 2.91Å
936S70.9Confident64.1Low78 Ų7894.7 Ų94.755%0.54548%0.483SS..Hα-helixtrans-48.1-46.6-17850.80000112.4L934 L938 A939 D940L934-S936 PolarHBondContact O-N 2.9Å; S936-L938 PolarHBondContact O-N 3.39Å; S936-A939 PolarHBondContact O-N 3.27Å; S936-D940 WeakPolarHBondContact O-CB 3.41Å; S936-D940 PolarHBondContact O-N 2.93Å
937N71.8Confident64Low124 Ų12492.4 Ų92.466%0.66348%0.478SS*.Hα-helixtrans-63.7-29.3-178.3-55.62000112.4P935 R941P935-N937 PolarHBondContact O-N 3.45Å; P935-N937 VanDerWaalsContact O-N 3.13Å; N937-R941 WeakPolarHBondContact O-CB 3.22Å; N937-R941 VanDerWaalsContact O-CG 3.23Å; N937-R941 WeakPolarHBondContact O-CG 3.42Å; N937-R941 PolarHBondContact O-N 3.48Å; N937-R941 VanDerWaalsContact O-N 3.13Å
938L70.7Confident63.7Low63 Ų6391.3 Ų91.333%0.3347%0.472SS..Hα-helixtrans-81.7-42.8175.1-177.260.1000111.2L934 P935 S936 D940 R941 L942L934-L938 HydrophobicContact CD2-CD2 3.85Å; L934-L938 HydrophobicContact CD2-CG 4.33Å; P935-L938 HydrophobicContact CB-CB 4.41Å; P935-L938 WeakPolarHBondContact O-CA 3.44Å; P935-L938 WeakPolarHBondContact O-CB 3.39Å; P935-L938 PolarHBondContact O-N 3.09Å; S936-L938 PolarHBondContact O-N 3.39Å; L938-D940 VanDerWaalsContact C-N 3.29Å; L938-D940 PolarHBondContact O-N 3.13Å; L938-R941 PolarHBondContact O-N 3.29Å; L938-L942 HydrophobicContact CD1-CD1 4.34Å; L938-L942 HydrophobicContact CD1-CG 4.37Å; L938-L942 HydrophobicContact CG-CD1 4.12Å; L938-L942 WeakPolarHBondContact O-CB 3.34Å; L938-L942 VanDerWaalsContact O-CG 3.26Å; L938-L942 WeakPolarHBondContact O-CG 3.23Å; L938-L942 PolarHBondContact O-N 3.41Å
939A68.5Low63.1Low17 Ų1793.3 Ų93.314%0.1448%0.477CS..Hα-helixtrans-58.2-41.9174.500000111.6L934 P935 S936 L942 R943L934-A939 HydrophobicContact CB-CB 4.23Å; P935-A939 PolarHBondContact O-N 2.91Å; S936-A939 PolarHBondContact O-N 3.27Å; A939-L942 PolarHBondContact O-N 3.13Å; A939-R943 VanDerWaalsContact O-CG 3.31Å; A939-R943 WeakPolarHBondContact O-CG 3.45Å; A939-R943 PolarHBondContact O-N 2.83Å
940D67.2Low62.7Low65 Ų6590.2 Ų90.235%0.34847%0.468SS..Hα-helixtrans-76.5-36.7178.4-67.9-33.8000112.9S936 L938 L942 R943 Q944S936-D940 WeakPolarHBondContact O-CB 3.41Å; S936-D940 PolarHBondContact O-N 2.93Å; L938-D940 VanDerWaalsContact C-N 3.29Å; L938-D940 PolarHBondContact O-N 3.13Å; D940-L942 VanDerWaalsContact C-N 3.27Å; D940-L942 PolarHBondContact O-N 3.45Å; D940-R943 PolarHBondContact O-N 2.88Å; D940-R943 WeakPolarHBondContact OD1-CD 3.39Å; D940-R943 IonicContact OD1-CZ 2.77Å; D940-R943 IonicContact OD1-NE 3.92Å; D940-R943 IonicContact OD1-NH1 2.72Å; D940-R943 PolarHBondContact OD1-NH1 3.13Å; D940-Q944 WeakPolarHBondContact O-CB 3.48Å; D940-Q944 WeakPolarHBondContact O-CG 3.37Å; D940-Q944 PolarHBondContact O-N 3.01Å
941R69.3Low61.4Low93 Ų9389 Ų8935%0.35148%0.476SS..Hα-helixtrans-57.2-40167.2-81.6175.299.9-147.64.1111.6N937 L938 R945 D1169N937-R941 WeakPolarHBondContact O-CB 3.22Å; N937-R941 VanDerWaalsContact O-CG 3.23Å; N937-R941 WeakPolarHBondContact O-CG 3.42Å; N937-R941 PolarHBondContact O-N 3.48Å; N937-R941 VanDerWaalsContact O-N 3.13Å; L938-R941 PolarHBondContact O-N 3.29Å; R941-R945 WeakPolarHBondContact O-CB 3.35Å; R941-R945 WeakPolarHBondContact O-CG 3.45Å; R941-R945 PolarHBondContact O-N 3.44Å; R941-R945 VanDerWaalsContact O-N 3.13Å; R941-D1169 IonicContact CZ-OD1 2.83Å; R941-D1169 IonicContact NH1-OD1 3.69Å; R941-D1169 PolarHBondContact NH1-OD1 3.31Å; R941-D1169 IonicContact NH2-OD1 2.88Å; R941-D1169 PolarHBondContact NH2-OD1 2.72Å; R941-D1169 IonicContact NH2-OD2 3.34Å; R941-D1169 PolarHBondContact NH2-OD2 2.97Å
942L68.5Low60.3Low42 Ų4296.4 Ų96.422%0.2250%0.497CS..Hα-helixtrans-72.5-34.5179.7-74.8171000113.3L938 A939 D940 S947 L948L938-L942 HydrophobicContact CD1-CD1 4.34Å; L938-L942 HydrophobicContact CD1-CG 4.37Å; L938-L942 HydrophobicContact CG-CD1 4.12Å; L938-L942 WeakPolarHBondContact O-CB 3.34Å; L938-L942 VanDerWaalsContact O-CG 3.26Å; L938-L942 WeakPolarHBondContact O-CG 3.23Å; L938-L942 PolarHBondContact O-N 3.41Å; A939-L942 PolarHBondContact O-N 3.13Å; D940-L942 VanDerWaalsContact C-N 3.27Å; D940-L942 PolarHBondContact O-N 3.45Å; L942-S947 PolarHBondContact O-N 2.85Å; L942-L948 HydrophobicContact CB-CB 3.86Å; L942-L948 HydrophobicContact CB-CD2 4.43Å; L942-L948 HydrophobicContact CD1-CD2 4.37Å; L942-L948 PolarHBondContact O-N 2.99Å
943R69.4Low58.6Low158 Ų15897.2 Ų97.260%0.59650%0.503SS*.Hα-helixtrans-65.7-52.8169.7-74.2163.8173.8167.5-2.1111.3A939 D940 R945 N946A939-R943 VanDerWaalsContact O-CG 3.31Å; A939-R943 WeakPolarHBondContact O-CG 3.45Å; A939-R943 PolarHBondContact O-N 2.83Å; D940-R943 PolarHBondContact O-N 2.88Å; D940-R943 WeakPolarHBondContact OD1-CD 3.39Å; D940-R943 IonicContact OD1-CZ 2.77Å; D940-R943 IonicContact OD1-NE 3.92Å; D940-R943 IonicContact OD1-NH1 2.72Å; D940-R943 PolarHBondContact OD1-NH1 3.13Å; R943-R945 PolarHBondContact O-N 3.45Å; R943-N946 PolarHBondContact O-N 3.03Å
944Q70.2Confident56.9Low156 Ų15696 Ų9673%0.72950%0.502SS*.Hα-helixtrans-57.4-34.8-179.4-73.7170.32.600112.9D940 N946D940-Q944 WeakPolarHBondContact O-CB 3.48Å; D940-Q944 WeakPolarHBondContact O-CG 3.37Å; D940-Q944 PolarHBondContact O-N 3.01Å; Q944-N946 VanDerWaalsContact C-N 3.32Å; Q944-N946 PolarHBondContact O-N 3.44Å
945R63.4Low54.7Low142 Ų142100.5 Ų100.554%0.53653%0.533SS..THydrogen-bonded Turntrans-86.610.1178-68.8176.1165.9170.2-6.5114.1R941 R943 S947R941-R945 WeakPolarHBondContact O-CB 3.35Å; R941-R945 WeakPolarHBondContact O-CG 3.45Å; R941-R945 PolarHBondContact O-N 3.44Å; R941-R945 VanDerWaalsContact O-N 3.13Å; R943-R945 PolarHBondContact O-N 3.45Å; R945-S947 WeakPolarHBondContact CB-OG 3.45Å; R945-S947 PolarHBondContact O-N 2.88Å; R945-S947 PolarHBondContact O-OG 2.87Å
946N50.3Low52.5Low137 Ų137102.2 Ų102.273%0.73354%0.543SS*.THydrogen-bonded Turntrans48.320.8-173-69.3-34.4000114.2R943 Q944R943-N946 PolarHBondContact O-N 3.03Å; Q944-N946 VanDerWaalsContact C-N 3.32Å; Q944-N946 PolarHBondContact O-N 3.44Å
947S54.2Low50.5Low76 Ų76104.5 Ų104.553%0.53155%0.553SS.*  trans-88.1-27-166-63.70000111.9L942 R945L942-S947 PolarHBondContact O-N 2.85Å; R945-S947 WeakPolarHBondContact CB-OG 3.45Å; R945-S947 PolarHBondContact O-N 2.88Å; R945-S947 PolarHBondContact O-OG 2.87Å
948L48.9Very low48.4Very low43 Ų43109.6 Ų109.623%0.22556%0.563CS.*  trans-107.581.9171.8-174.467.9000109.3W923 L934 L942 L950W923-L948 HydrophobicContact CH2-CD1 4.38Å; W923-L948 HydrophobicContact CZ3-CD1 4.43Å; L934-L948 HydrophobicContact CD1-CD2 4.24Å; L942-L948 HydrophobicContact CB-CB 3.86Å; L942-L948 HydrophobicContact CB-CD2 4.43Å; L942-L948 HydrophobicContact CD1-CD2 4.37Å; L942-L948 PolarHBondContact O-N 2.99Å; L948-L950 HydrophobicContact CD1-CD1 4.5Å; L948-L950 HydrophobicContact CD1-CG 4.19Å; L948-L950 HydrophobicContact CD2-CD1 3.75Å; L948-L950 HydrophobicContact CD2-CG 4.25Å; L948-L950 HydrophobicContact CG-CD1 4.04Å; L948-L950 HydrophobicContact CG-CG 3.97Å; L948-L950 PolarHBondContact O-N 3.49Å
949I44.3Very low46.4Very low131 Ų131115.4 Ų115.467%0.67259%0.594SS**  trans-73.771.3163.6-50.1179000107.8S951I949-S951 VanDerWaalsContact C-N 3.33Å; I949-S951 PolarHBondContact O-N 2.93Å; I949-S951 VanDerWaalsContact O-N 3.13Å
950L42.5Very low44.4Very low66 Ų66118.8 Ų118.835%0.34662%0.616SS.*  trans-64.8102.7150.8-87.6167000105.7W923 P931 L948 R952W923-L950 HydrophobicContact CH2-CD2 3.63Å; W923-L950 HydrophobicContact CH2-CG 4.14Å; W923-L950 HydrophobicContact CZ2-CD2 4.26Å; W923-L950 HydrophobicContact CZ3-CD2 4.49Å; P931-L950 HydrophobicContact CB-CD1 4.37Å; L948-L950 HydrophobicContact CD1-CD1 4.5Å; L948-L950 HydrophobicContact CD1-CG 4.19Å; L948-L950 HydrophobicContact CD2-CD1 3.75Å; L948-L950 HydrophobicContact CD2-CG 4.25Å; L948-L950 HydrophobicContact CG-CD1 4.04Å; L948-L950 HydrophobicContact CG-CG 3.97Å; L948-L950 PolarHBondContact O-N 3.49Å; L950-R952 PolarHBondContact O-N 3.23Å
951S33.1Very low42.5Very low106 Ų106122.9 Ų122.974%0.74164%0.638SS**  trans-53.6102.9168.7-60.80000108I949 S953I949-S951 VanDerWaalsContact C-N 3.33Å; I949-S951 PolarHBondContact O-N 2.93Å; I949-S951 VanDerWaalsContact O-N 3.13Å; S951-S953 PolarHBondContact O-N 3.3Å
952R31.2Very low40.4Very low216 Ų216124 Ų12482%0.81566%0.66SS**  trans-69.3105.2174.5-59.9-178.481.4178.24.8106L950 S954L950-R952 PolarHBondContact O-N 3.23Å; R952-S954 PolarHBondContact O-N 3.13Å
953S26.8Very low38.7Very low115 Ų115127.7 Ų127.780%0.80469%0.69SS**  trans-47129.4154.232.20000107.4S951S951-S953 PolarHBondContact O-N 3.3Å
954S26.4Very low36.9Very low78 Ų78126.7 Ų126.755%0.54570%0.695SS.*  trans-55.9144.6-164.8-61.20000111.8R952 T956R952-S954 PolarHBondContact O-N 3.13Å; S954-T956 VanDerWaalsContact CB-OG1 3.29Å; S954-T956 WeakPolarHBondContact CB-OG1 3.47Å; S954-T956 PolarHBondContact O-N 3.2Å
955P26.7Very low34.9Very low127 Ų127125.5 Ų125.583%0.82570%0.701SS**SBendtrans-7560.7176.633.7-36.4000110.8
956T28.9Very low33.2Very low114 Ų114124.9 Ų124.970%0.69971%0.708SS**  trans-140.133.2-16956.50000112.2S954S954-T956 VanDerWaalsContact CB-OG1 3.29Å; S954-T956 WeakPolarHBondContact CB-OG1 3.47Å; S954-T956 PolarHBondContact O-N 3.2Å
957T29.1Very low32.3Very low126 Ų126123.2 Ų123.277%0.77371%0.707SS**SBendtrans-134.9103174.3290000111.9
958R27.4Very low31.1Very low231 Ų231128.5 Ų128.587%0.87272%0.721SS**  trans4883.4154-64.3179.8168.7-177.1-4.9117.7
959L28.3Very low30.4Very low185 Ų185130.5 Ų130.597%0.96974%0.737SS**  trans-91.8116.3133.9-77.8175.4000107.7
960S26.6Very low29.8Very low87 Ų87133.2 Ų133.261%0.60874%0.744SS**  trans-100143.9178.1-58.60000110.9
961N26.4Very low29.3Very low152 Ų152137.3 Ų137.381%0.81377%0.766SS**  trans6393.3158.5-53.5-5.5000118
962S26.8Very low29Very low117 Ų117138.3 Ų138.382%0.81876%0.763SS**  169.8156.9112.447.20000113.3
963S32.5Very low28.8Very low119 Ų119134 Ų13483%0.83276%0.756SS**  trans58.9110.8177.453.10000118.2
964L30.2Very low29.1Very low136 Ų136136.4 Ų136.471%0.71276%0.76SS**  trans-75.9172.2163.6-70.1164.7000111
965P28.8Very low29.3Very low132 Ų132142.4 Ų142.486%0.85778%0.777SS**  -131.2140.29636.2-28.6000114.5
966N27.3Very low29.5Very low128 Ų128142 Ų14268%0.68478%0.777SS**  trans-89141.7170.8-79.9-12.7000111.3
967S31.4Very low29.4Very low102 Ų102143.1 Ų143.171%0.71378%0.779SS**  trans-177.7136.2161.7-77.70000107.9
968F30.2Very low29.6Very low187 Ų187144.6 Ų144.682%0.8278%0.782SS**  cis-152.6-159.8-12.2-109.4-56.3000106.6
969P34.6Very low29.7Very low86 Ų86140.8 Ų140.856%0.55878%0.779SS**  -122.4-155.4-110.632.7-7.4000114.3
970F30.8Very low29.9Very low187 Ų187137.1 Ų137.182%0.8277%0.769SS**  trans79.8139.5172.6-53.2-67000116.5
971N31.6Very low29.9Very low152 Ų152138.4 Ų138.481%0.81377%0.769SS**  cis-140.6164.2-11.4-155.74.7000111.7
972N27Very low30.1Very low127 Ų127138 Ų13868%0.67977%0.765SS**  trans-84.9154.6-173.9-121.9-13.3000113.4
973N27.3Very low30.2Very low125 Ų125136.9 Ų136.967%0.66875%0.748SS**  trans42.1120.8147.8-57-29.5000120.2
974N33.7Very low29.9Very low166 Ų166137 Ų13789%0.88874%0.738SS**  -160.9158.7101.4-103.5-34.7000114
975K29Very low29.9Very low205 Ų205137.2 Ų137.289%0.89174%0.739SS**  trans-81138.7179.1-60.9169.3179.7172.20110.9
976S31.1Very low29.8Very low117 Ų117138 Ų13882%0.81873%0.733SS**  trans-159.7145132.5-1620000111.1
977N28.2Very low29.7Very low139 Ų139137.9 Ų137.974%0.74373%0.731SS**  trans-83.9148165.6-64.6-30.9000108.8
978N33.5Very low29.5Very low156 Ų156141.4 Ų141.483%0.83474%0.736SS**  -175.3167.5111.6-91.6-26.9000112.9
979N28Very low29.2Very low152 Ų152137.6 Ų137.681%0.81373%0.733SS**  trans-97178.5-164.3-71.5-61000114
980S32.2Very low28.8Very low108 Ų108141.3 Ų141.376%0.75575%0.745SS**  trans76.3116.517672.90000114.8
981N26.8Very low28.5Very low114 Ų114141.7 Ų141.761%0.6174%0.742SS**  68.7103.363.3-80.5-57.8000113.6R382R382-N981 PolarHBondContact NH1-OD1 3.23Å; R382-N981 PolarHBondContact NH2-OD1 2.85Å
982L30.6Very low28.2Very low142 Ų142143 Ų14374%0.74374%0.743SS**  trans167.6110132-86.2171.2000107
983Q29.6Very low28.2Very low95 Ų95144.1 Ų144.144%0.44474%0.744SS.*  77.4110.588.7-86.7-160.388.300116.3
984N26.6Very low28.1Very low120 Ų120143 Ų14364%0.64275%0.746SS**  trans66.5160.1149.5-40.9-28000115.2
985I29Very low27.8Very low142 Ų142142.2 Ų142.273%0.72874%0.742SS**  cis-137.1131.611.8-93102.5000106.6
986M26.4Very low27.9Very low149 Ų149138.2 Ų138.273%0.73474%0.74SS**  58.1110.487.1-94.3-160.3-56.600118.8
987I26.6Very low27.9Very low125 Ų125135.8 Ų135.864%0.64173%0.733SS**  trans76.2140.1132-64.6173.2000120.2
988Q26.1Very low28.1Very low176 Ų176136.3 Ų136.382%0.82274%0.736SS**  trans65.5161.9172.4-102.569.790.400114.9
989S24.6Very low27.9Very low106 Ų106138.2 Ų138.274%0.74173%0.733SS**  cis-151.4-166.5-144.70000112
990M25.2Very low28.1Very low164 Ų164137.2 Ų137.281%0.80873%0.732SS**  trans-48.1-179.5166.9-56.1-78.4-73.600114.9
991Y25.6Very low28.3Very low195 Ų195136 Ų13677%0.76574%0.737SS**  trans81.6128.1-173.1-68.7-103.8000111.9H993Y991-H993 AromaticContact CD1-ND1 3.65Å
992E25.9Very low28.4Very low180 Ų180138.1 Ų138.184%0.84175%0.747SS**  cis57.9130.35.6-142.4174.1-124.700115.1
993H26.1Very low28.4Very low151 Ų151139.2 Ų139.270%0.69975%0.748SS**  trans75.4120-138.2-51.967.3000109.1Y991Y991-H993 AromaticContact CD1-ND1 3.65Å
994S26.3Very low28.4Very low101 Ų101139 Ų13971%0.70676%0.758SS**  cis71127.438-46.40000113.1
995D27.3Very low28.6Very low149 Ų149140.2 Ų140.280%0.79776%0.764SS**  trans65.7113.1163.8-51.2-41000119.6
996S30.6Very low28.6Very low121 Ų121139.3 Ų139.385%0.84677%0.765SS**  trans48.5137.3138.5640000122.5
997G30.8Very low28.8Very low66 Ų66138 Ų13868%0.6877%0.766SS**  trans118.494.4137.300000117.8
998D32.3Very low28.9Very low150 Ų150136.6 Ų136.680%0.80277%0.767SS**  53.2122.3124.9-59.1-29.6000123.8
999Y29Very low28.9Very low196 Ų196135.7 Ų135.777%0.76977%0.767SS**  trans63.2108.8130.2-83.9-100000122.8
1000T33.2Very low29Very low131 Ų131140.4 Ų140.480%0.80477%0.77SS**  trans57125131.958.80000121.2
1001G34.9Very low29.1Very low82 Ų82137.9 Ų137.985%0.84577%0.767SS**  trans-176.7104.516600000115.1
1002L30.7Very low29.3Very low159 Ų159133.9 Ų133.983%0.83276%0.762SS**  trans-63.6132.1-175.2-71.6163.7000116.5
1003Q29.5Very low29.5Very low165 Ų165133.1 Ų133.177%0.77176%0.759SS**  82.3144.7118.5-163.6172.1-29.900122.7
1004S30.3Very low29.7Very low91 Ų91131.1 Ų131.164%0.63675%0.754SS**  trans82.2118.5158.821.50000122.5
1005D30.2Very low30.2Very low145 Ų145134.7 Ų134.778%0.77576%0.756SS**  88.3100.6124.4-61.93.7000124.8
1006V28.5Very low30.4Very low123 Ų123135.4 Ų135.475%0.74575%0.754SS**  41.2138.5127.9-145.10000122
1007T30.4Very low30.6Very low123 Ų123134.8 Ų134.876%0.75575%0.745SS**  trans108147.4153.769.40000118.2
1008S30.5Very low30.8Very low95 Ų95138 Ų13866%0.66475%0.747SS**  trans31.8109.6161.240.10000119.4
1009L26.1Very low30.8Very low157 Ų157137.1 Ų137.182%0.82274%0.742SS**  79.5134.776.9-86.6171.4000115.5
1010Y26.3Very low31.1Very low205 Ų205134 Ų13480%0.80474%0.738SS**  trans75.8142.2165.2-87.7-81000120.6
1011C27.2Very low31Very low111 Ų111138.3 Ų138.375%0.7574%0.739SS**  trans71.1151.5153.7-71.30000120.1
1012V29.2Very low31Very low110 Ų110141.2 Ų141.267%0.66773%0.734SS**  cis-165.4141.9-33.1100.10000110.1
1013Q30.3Very low31Very low165 Ų165143.2 Ų143.277%0.77173%0.731SS**  trans61.1171.7165-65.7171.82.800116.1
1014N31.1Very low31.1Very low109 Ų109142.7 Ų142.758%0.58373%0.728SS**  cis-156.3139.76.7-125.1-32.8000110.3
1015K34.9Very low31Very low175 Ų175143.1 Ų143.176%0.76173%0.732SS**  trans55.8161.6147-60.9173.6-174.8-178.50118.8
1016H31.6Very low31Very low164 Ų164147.5 Ų147.576%0.75974%0.737SS**  cis-160.5175.310.8-149.6-131.3000111.6
1017V36.1Very low31.2Very low108 Ų108146.7 Ų146.766%0.65573%0.734SS**  trans74.4114.9161.4-175.60000120.3
1018N34.2Very low31.1Very low135 Ų135148.1 Ų148.172%0.72274%0.736SS**  31.2151.5127.9-46.116.5000121.5
1019D33.7Very low30.9Very low130 Ų130148.3 Ų148.370%0.69574%0.737SS**  cis-161.2175.77-135.6-40.6000115
1020I33.5Very low30.9Very low131 Ų131147.8 Ų147.867%0.67273%0.732SS**  trans73.1116.8149.6-71.9164.2000120.6
1021R31.5Very low30.9Very low221 Ų221145.2 Ų145.283%0.83473%0.727SS**  trans79.3103.6151-76.1168.2-168.8-156.61.1122.5
1022L34.6Very low30.9Very low143 Ų143144.3 Ų144.375%0.74972%0.719SS**  trans65.588.7130.1-60.6171.2000117.5
1023R31.8Very low30.7Very low201 Ų201145.7 Ų145.776%0.75872%0.722SS**  68.8130.178.7-71.6-171.5179.5-119.710.8114.3
1024Q30.9Very low30.6Very low154 Ų154149.1 Ų149.172%0.7273%0.73SS**  cis-157.9155.9-6.6-133.9160.2-19.800110.2
1025S28.3Very low30.4Very low101 Ų101147.7 Ų147.771%0.70673%0.728SS**  trans-151.2161.8178.780.40000113.8
1026R30.4Very low30.2Very low237 Ų237147.9 Ų147.989%0.89473%0.732SS**  trans74.5162.4159.1-73.8-173.9172.4-158.6-0.7118.6
1027P32.3Very low30.1Very low105 Ų105149 Ų14968%0.68273%0.731SS**  trans-135.1-166.8-149.443.1-24.4000115.3
1028I28.3Very low29.7Very low154 Ų154150 Ų15079%0.7973%0.732SS**  trans81.799.1160.4-63.6166.5000117
1029S26.6Very low29.5Very low98 Ų98149 Ų14969%0.68573%0.727SS**  trans77.7157.8131-146.80000122.1
1030M27.1Very low29.4Very low146 Ų146148.5 Ų148.572%0.71972%0.724SS**  trans79.899162.8-51.7-46.1-61.300120.1
1031H26Very low29.3Very low151 Ų151148.8 Ų148.870%0.69973%0.727SS**  94.3125.4118.4-134-55.2000120.7
1032T27.4Very low29.3Very low93 Ų93144.4 Ų144.457%0.57172%0.72SS**  trans51.8108.6157.434.60000120.1
1033D24.8Very low29Very low139 Ų139141.2 Ų141.274%0.74371%0.71SS**  34.7116.3101.4-37.7-37.5000117.6
1034Y28.7Very low29Very low237 Ų237141 Ų14193%0.92972%0.715SS**  -144.7142.1122.9-114-76.9000110.8
1035S26.7Very low28.9Very low79 Ų79142.6 Ų142.655%0.55272%0.72SS**  trans-75.2147.4-169.455.10000115.4
1036Q30Very low29Very low178 Ų178145.9 Ų145.983%0.83273%0.728SS**  -151.5119.5122.5-101.6152.118.900107.6
1037Y28.4Very low29Very low189 Ų189139.8 Ų139.874%0.74172%0.72SS**  54.1126.792.1-67.9-69.9000111.3
1038N29.7Very low28.6Very low127 Ų127139.7 Ų139.768%0.67972%0.721SS**  cis-165.3168.224.7-125.6-11.2000108.9
1039N29.7Very low28.6Very low114 Ų114139.4 Ų139.461%0.6172%0.721SS**  cis-162.6173.2-0.2-151.4-8000112
1040N30.1Very low28.9Very low120 Ų120140.1 Ų140.164%0.64272%0.721SS**  trans76.8134.2151.1-67.3-18.8000122.9
1041N31.7Very low29Very low137 Ų137141.3 Ų141.373%0.73372%0.724SS**  trans66.8120.7159-55.3-8.7000118.5
1042N32.5Very low29.3Very low130 Ų130142.7 Ų142.770%0.69573%0.729SS**  cis-155.1132.2-18-102.1-29.1000105.2
1043S28.6Very low29.4Very low76 Ų76144.6 Ų144.653%0.53174%0.736SS.*  54.4130.277.487.50000112.6
1044F30.7Very low29.7Very low195 Ų195143.3 Ų143.386%0.85573%0.733SS**  cis-137.9163.622-93.1-88.8000115.1
1045F28.6Very low29.7Very low189 Ų189137.8 Ų137.883%0.82972%0.724SS**  trans-61.6157.6156-78.8-116.4000111.3
1046L30.8Very low30Very low169 Ų169141.5 Ų141.589%0.88574%0.736SS**  -170.1146.6118.3-97.5163.8000110
1047P29.5Very low30.1Very low110 Ų110139.9 Ų139.971%0.71473%0.733SS**  trans-95.9-177.3-176.938.9-34.6000113.3
1048S24.7Very low30.4Very low102 Ų102135.4 Ų135.471%0.71373%0.729SS**  trans-59.115317855.60000116.5
1049L28Very low30.6Very low148 Ų148136.1 Ų136.178%0.77573%0.733SS**  trans130.4152.2142.9-112.369.3000115.7
1050T32.8Very low30.8Very low113 Ų113136.1 Ų136.169%0.69374%0.737SS**  trans60.3115.7165.346.70000117.2
1051H29.3Very low30.9Very low171 Ų171135.8 Ų135.879%0.79274%0.74SS**  90.2158.661.8-80.85.3000113.7
1052F32.1Very low31Very low181 Ų181134.3 Ų134.379%0.79474%0.736SS**  trans74.6118.3-166.8-59.8-82.1000112
1053N29.8Very low31.3Very low133 Ų133135.8 Ų135.871%0.71174%0.738SS**  69.4133.971.4-67.54000110.6
1054T31.1Very low31.5Very low112 Ų112136.2 Ų136.269%0.68774%0.741SS**  cis-158.5132.717.1130000107.8
1055T28.6Very low31.5Very low121 Ų121131.1 Ų131.174%0.74273%0.729SS**  80.1165.5101.4-49.60000114.1
1056I33.7Very low31.7Very low157 Ų157124 Ų12481%0.80570%0.702SS**  trans77.391.3-176.1-47.7174.9000111.6
1057N31.7Very low31.9Very low143 Ų143121.3 Ų121.377%0.76569%0.688SS**  cis74.4100.737.8-171.556.6000115.4
1058S33.5Very low31.9Very low95 Ų95120.2 Ų120.266%0.66469%0.689SS**  trans-167118.8144.645.60000111.8
1059N33.9Very low32.2Very low142 Ų142119.7 Ų119.776%0.75969%0.685SS**  trans64.3152.8141.7-52.9-11.5000117.9
1060T34.9Very low32.3Very low114 Ų114117.4 Ų117.470%0.69968%0.681SS**  cis-150.8125.52.4-1.70000106.1
1061V32.3Very low32Very low114 Ų114117.5 Ų117.569%0.69169%0.687SS**  76.911197.5168.50000114.2
1062T33.7Very low32Very low105 Ų105114.4 Ų114.464%0.64468%0.684SS**  trans63.3163.1156.756.80000118.6
1063H39.4Very low31.8Very low162 Ų162110.7 Ų110.775%0.7568%0.68SS**  cis-119136.1-6.8-92.8-59.7000108.9
1064S31.7Very low31.6Very low85 Ų85111.4 Ų111.459%0.59468%0.683SS**  74.476.975.4-51.30000115.9
1065S31.5Very low31.4Very low87 Ų87111 Ų11161%0.60868%0.684SS**  75.8-168.9129.6-50.70000115.5N210N210-S1065 PolarHBondContact ND2-O 2.95Å
1066P32.4Very low31.3Very low39 Ų39109.8 Ų109.825%0.25368%0.681SS.*  cis-135.2172-7.241.5-23.9000118N210 Q211N210-P1066 WeakPolarHBondContact CB-O 3.39Å; N210-P1066 WeakPolarHBondContact O-CD 3.26Å; Q211-P1066 HydrophobicContact CG-CG 3.67Å
1067L34.2Very low31.1Very low113 Ų113109.4 Ų109.459%0.59268%0.68SS**  trans57.590.6160.3-91.174.3000119.2I212I212-L1067 HydrophobicContact CD1-CB 3.97Å; I212-L1067 HydrophobicContact CD1-CD2 3.56Å; I212-L1067 HydrophobicContact CD1-CG 4.36Å; I212-L1067 HydrophobicContact CG1-CB 3.69Å; I212-L1067 HydrophobicContact CG1-CD2 3.91Å; I212-L1067 HydrophobicContact CG1-CG 4.44Å
1068A30.3Very low31Very low88 Ų88109.6 Ų109.673%0.72768%0.676SS**  -132.793.8110.700000108.6
1069S31.4Very low30.9Very low90 Ų90111.8 Ų111.863%0.62968%0.676SS**  54.288.711065.50000113.5
1070S29.7Very low30.8Very low101 Ų101112.2 Ų112.271%0.70667%0.673SS**  83.4120.59564.20000113.5
1071S27.1Very low30.6Very low115 Ų115114.1 Ų114.180%0.80467%0.674SS**  cis81.467.442.884.90000115.7
1072S29Very low30.5Very low106 Ų106117.3 Ų117.374%0.74168%0.682SS**  trans-158.4137.8151.550.50000108.1
1073S27.1Very low30.2Very low102 Ų102121.2 Ų121.271%0.71369%0.692SS**  cis76.6121.738.5-56.20000113.8
1074I26.2Very low29.7Very low149 Ų149120.1 Ų120.176%0.76470%0.697SS**  trans73.7101.9150.7-55.1155.6000118.1
1075S26.4Very low29.5Very low102 Ų102122 Ų12271%0.71371%0.707SS**  trans67.7-178.4141.785.10000120.1
1076S28.2Very low29.4Very low97 Ų97127.9 Ų127.968%0.67872%0.722SS**  trans69116.7161.569.80000116.2
1077L28.7Very low29.1Very low148 Ų148134 Ų13478%0.77574%0.74SS**  71.3107.788.8-91.876000115.3
1078Q29.8Very low28.7Very low148 Ų148132.2 Ų132.269%0.69274%0.735SS**  82.7133.7113.6-16616642.800120.8
1079Q31.6Very low28.6Very low141 Ų141134.1 Ų134.166%0.65974%0.743SS**  trans72.1117.4163-75.316322.400117.3
1080Q31.3Very low28.3Very low151 Ų151134.5 Ų134.571%0.70675%0.746SS**  81.4140.594.7-69.9-174.91300112.9
1081Q29.8Very low28.1Very low153 Ų153135 Ų13572%0.71574%0.74SS**  cis-156.9-170.50.6-125.4-177.879.200111
1082Q31.3Very low28Very low182 Ų182134.5 Ų134.585%0.8574%0.737SS**  trans80.3161.2172.2-52.1-171.62.200117.1
1083Q27.3Very low27.7Very low186 Ų186136 Ų13687%0.86974%0.736SS**  trans-138.7143.9-144.4-60.4170.8-4.300113.8
1084T28.8Very low27.8Very low139 Ų139134.8 Ų134.885%0.85373%0.732SS**  trans-165.7156.3158.39.20000110.1
1085P27.5Very low27.9Very low124 Ų124132.3 Ų132.381%0.80573%0.728SS**  trans-88.5123.8-15832.3-34.5000115.3
1086K28.2Very low27.9Very low212 Ų212131.7 Ų131.792%0.92272%0.723SS**  trans-91112.2159.4-74.7-180177175.10109.8
1087R27.4Very low27.7Very low168 Ų168136.1 Ų136.163%0.63473%0.731SS**  trans-94.5133.9174.1-158.1170.5-172.2167.1-1.7110.3Y244 D245Y244-R1087 PolarHBondContact O-NH1 3.38Å; D245-R1087 IonicContact OD1-NH1 3.06Å; D245-R1087 PolarHBondContact OD1-NH1 2.89Å
1088P26.5Very low27.8Very low74 Ų74134.4 Ų134.448%0.48173%0.726SS.*  trans-98.2124.3-159.834.2-32.6000114.3S1090 L1091P1088-S1090 PolarHBondContact O-N 3.24Å; P1088-L1091 HydrophobicContact CB-CD1 4.35Å; P1088-L1091 HydrophobicContact CB-CG 4Å; P1088-L1091 HydrophobicContact CG-CD1 3.49Å; P1088-L1091 VanDerWaalsContact CG-CD1 3.49Å; P1088-L1091 HydrophobicContact CG-CG 3.67Å
1089S26.8Very low27.8Very low129 Ų129133.7 Ų133.790%0.90273%0.727SS**SBendtrans-83.222.6162.647.30000113.1
1090S25.2Very low27.6Very low98 Ų98132.7 Ų132.769%0.68573%0.731SS**  trans-160.295.6170.5400000111.8P1088P1088-S1090 PolarHBondContact O-N 3.24Å
1091L25.6Very low27.5Very low110 Ų110131.6 Ų131.658%0.57673%0.728SS**  trans-133133.3159.6-73.4179.4000107.1P1088 L1093P1088-L1091 HydrophobicContact CB-CD1 4.35Å; P1088-L1091 HydrophobicContact CB-CG 4Å; P1088-L1091 HydrophobicContact CG-CD1 3.49Å; P1088-L1091 VanDerWaalsContact CG-CD1 3.49Å; P1088-L1091 HydrophobicContact CG-CG 3.67Å; L1091-L1093 HydrophobicContact CB-CG 4.2Å; L1091-L1093 HydrophobicContact CD1-CD1 4.22Å; L1091-L1093 HydrophobicContact CD1-CG 4.05Å
1092S24.8Very low27.5Very low106 Ų106127.8 Ų127.874%0.74172%0.717SS**  cis61.536.519.1-160.40000115.1A1094S1092-A1094 PolarHBondContact O-N 2.86Å; S1092-A1094 VanDerWaalsContact O-N 3.14Å
1093L24.3Very low27.6Very low137 Ų137126.5 Ų126.572%0.71771%0.709SS**  trans-83.560.9160.6-87.1159.7000110.8L1091L1091-L1093 HydrophobicContact CB-CG 4.2Å; L1091-L1093 HydrophobicContact CD1-CD1 4.22Å; L1091-L1093 HydrophobicContact CD1-CG 4.05Å
1094A27.2Very low27.8Very low76 Ų76123.6 Ų123.663%0.62870%0.698SS**  trans-81.7141150.100000107.8S1092S1092-A1094 PolarHBondContact O-N 2.86Å; S1092-A1094 VanDerWaalsContact O-N 3.14Å
1095S28.7Very low28Very low97 Ų97123.3 Ų123.368%0.67869%0.691SS**SBendtrans70155.2-173.481.90000117
1096S26.1Very low28.3Very low89 Ų89121.2 Ų121.262%0.62267%0.673SS**  trans76.434159.1-520000120T1098S1096-T1098 VanDerWaalsContact C-N 3.27Å
1097F25.6Very low28.5Very low191 Ų191115.4 Ų115.484%0.83865%0.652SS**  trans-100.942.3134.9-95.5-72.2000110.6
1098T31Very low28.9Very low111 Ų111114 Ų11468%0.68166%0.656SS**  trans-113.247.8179.249.10000110.8S1096S1096-T1098 VanDerWaalsContact C-N 3.27Å
1099N28Very low29.3Very low133 Ų133117.9 Ų117.971%0.71167%0.665SS**SBendtrans-169.8141.4161.5-92.5-34.1000107.1
1100V28.1Very low29.6Very low120 Ų120116.1 Ų116.173%0.72765%0.649SS**SBendtrans51.378.7-166.5-164.50000111.6P1102V1100-P1102 VanDerWaalsContact CA-CD 3.49Å
1101I29.7Very low29.9Very low129 Ų129117.8 Ų117.866%0.66265%0.65SS**  -13586.850.5-54179.3000112K1103I1101-K1103 HydrophobicContact CG2-CB 3.54Å; I1101-K1103 PolarHBondContact O-N 2.82Å
1102P30Very low30.2Very low73 Ų73119.6 Ų119.647%0.47465%0.654SS.*THydrogen-bonded Turntrans-76.555163.434.4-36.8000110.1V1100 N1106V1100-P1102 VanDerWaalsContact CA-CD 3.49Å; P1102-N1106 WeakPolarHBondContact O-CB 3.36Å; P1102-N1106 PolarHBondContact O-ND2 2.92Å
1103K32.3Very low30.5Very low155 Ų155122 Ų12267%0.67466%0.657SS**THydrogen-bonded Turntrans-143.98.9-170.7-108.7-176.9-179.4-175.90114.4I1101I1101-K1103 HydrophobicContact CG2-CB 3.54Å; I1101-K1103 PolarHBondContact O-N 2.82Å
1104L32.5Very low30.7Very low124 Ų124122.7 Ų122.765%0.64965%0.65SS**SBendtrans-117.7-56.4169.1-13772.9000111.5N1106 L1107 I1108L1104-N1106 PolarHBondContact O-N 3.05Å; L1104-L1107 WeakPolarHBondContact O-CA 3.48Å; L1104-L1107 WeakPolarHBondContact O-CB 3.4Å; L1104-L1107 PolarHBondContact O-N 3.41Å; L1104-I1108 PolarHBondContact O-N 3.4Å; L1104-I1108 VanDerWaalsContact O-N 3.09Å
1105D33.3Very low30.8Very low133 Ų133125.7 Ų125.771%0.71165%0.651SS**THydrogen-bonded Turntrans-65.6-23.5170.5-68.7-40.8000112.9
1106N33.7Very low30.7Very low80 Ų80126.7 Ų126.743%0.42865%0.653SS.*THydrogen-bonded Turntrans-75.2-36.9165.6-86.7-16.3000111.9P1102 L1104 I1108 K1109 T1110P1102-N1106 WeakPolarHBondContact O-CB 3.36Å; P1102-N1106 PolarHBondContact O-ND2 2.92Å; L1104-N1106 PolarHBondContact O-N 3.05Å; N1106-I1108 VanDerWaalsContact C-N 3.3Å; N1106-I1108 PolarHBondContact O-N 3.45Å; N1106-K1109 CarbonylContact O-C 3.39Å; N1106-K1109 WeakPolarHBondContact O-CA 3.38Å; N1106-K1109 PolarHBondContact O-N 3.13Å; N1106-T1110 WeakPolarHBondContact O-CB 3.27Å; N1106-T1110 WeakPolarHBondContact O-CG2 3.29Å; N1106-T1110 PolarHBondContact O-N 3.37Å; N1106-T1110 PolarHBondContact O-OG1 2.99Å
1107L32.4Very low30.9Very low91 Ų91130.4 Ų130.448%0.47667%0.665SS.*Hα-helixtrans-63-39.1179.6-129.172.6000111.8L1104 K1109 T1110 N1111L1104-L1107 WeakPolarHBondContact O-CA 3.48Å; L1104-L1107 WeakPolarHBondContact O-CB 3.4Å; L1104-L1107 PolarHBondContact O-N 3.41Å; L1107-K1109 PolarHBondContact O-N 3.36Å; L1107-T1110 WeakPolarHBondContact CA-OG1 3.44Å; L1107-T1110 PolarHBondContact O-N 3.49Å; L1107-N1111 PolarHBondContact O-N 3.23Å; L1107-N1111 VanDerWaalsContact O-N 3.08Å
1108I35.4Very low30.9Very low138 Ų138129 Ų12971%0.70867%0.667SS**Hα-helixtrans-68-19.8174.2-62.2173000111.9L1104 N1106L1104-I1108 PolarHBondContact O-N 3.4Å; L1104-I1108 VanDerWaalsContact O-N 3.09Å; N1106-I1108 VanDerWaalsContact C-N 3.3Å; N1106-I1108 PolarHBondContact O-N 3.45Å
1109K34Very low30.8Very low155 Ų155129 Ų12967%0.67467%0.671SS**Hα-helixtrans-100.4-19174.7-74.4-178.6175.3178.20114.9N1106 L1107N1106-K1109 CarbonylContact O-C 3.39Å; N1106-K1109 WeakPolarHBondContact O-CA 3.38Å; N1106-K1109 PolarHBondContact O-N 3.13Å; L1107-K1109 PolarHBondContact O-N 3.36Å
1110T33.4Very low30.8Very low92 Ų92127.8 Ų127.856%0.56467%0.673SS**Hα-helixtrans-96.1-8.5177.2590000113.3N1106 L1107 K1112N1106-T1110 WeakPolarHBondContact O-CB 3.27Å; N1106-T1110 WeakPolarHBondContact O-CG2 3.29Å; N1106-T1110 PolarHBondContact O-N 3.37Å; N1106-T1110 PolarHBondContact O-OG1 2.99Å; L1107-T1110 WeakPolarHBondContact CA-OG1 3.44Å; L1107-T1110 PolarHBondContact O-N 3.49Å; T1110-K1112 PolarHBondContact O-N 3.33Å
1111N31Very low30.9Very low133 Ų133131.4 Ų131.471%0.71168%0.679SS**  trans-70.124158.7-76.96.4000112.8L1107 L1113L1107-N1111 PolarHBondContact O-N 3.23Å; L1107-N1111 VanDerWaalsContact O-N 3.08Å; N1111-L1113 PolarHBondContact O-N 2.86Å
1112K32.9Very low30.8Very low149 Ų149130.1 Ų130.165%0.64868%0.682SS**  trans-73.666.1159.1-81.6-172.4171.7-172.50110.7T1110 R1114T1110-K1112 PolarHBondContact O-N 3.33Å; K1112-R1114 HydrophobicContact CB-CB 4.36Å
1113L30.7Very low30.8Very low156 Ų156134.2 Ų134.282%0.81770%0.698SS**  trans-112.561.4149.5-69.6171.2000106.3N1111N1111-L1113 PolarHBondContact O-N 2.86Å
1114R28.5Very low30.6Very low152 Ų152131.3 Ų131.357%0.57470%0.697SS**  23.8110.466.6-93-165.6170.3-124.4-3.5115.4K1112 T1116K1112-R1114 HydrophobicContact CB-CB 4.36Å; R1114-T1116 PolarHBondContact O-N 2.74Å
1115E30Very low30.5Very low139 Ų139131.3 Ų131.365%0.6571%0.707SS**SBendtrans74.928.3131.7-67.1154.9-166.900118.8
1116T27.1Very low30.4Very low118 Ų118129.9 Ų129.972%0.72471%0.707SS**SBendtrans-137.669.2157.5580000113.7R1114R1114-T1116 PolarHBondContact O-N 2.74Å
1117L28.8Very low30.1Very low166 Ų166133.9 Ų133.987%0.86973%0.728SS**SBendtrans-174.3128.4152.1-100.7158.2000105.8
1118N26.2Very low29.9Very low163 Ų163135.2 Ų135.287%0.87275%0.745SS**  trans75.162.8-164.9-55.7-16000116
1119S28.8Very low29.6Very low110 Ų110133.9 Ų133.977%0.76975%0.748SS**  trans-133.3106.4145.6650000109.6K1121S1119-K1121 PolarHBondContact O-N 3.13Å
1120S27.3Very low29.3Very low108 Ų108132 Ų13276%0.75575%0.754SS**  trans-77.2109.1-179.134.20000110.5
1121K30.4Very low29.1Very low196 Ų196134 Ų13485%0.85277%0.767SS**  trans-14993.8167.2-112.2173.7-173.5179.20113.1S1119S1119-K1121 PolarHBondContact O-N 3.13Å
1122S27.2Very low29Very low102 Ų102132.6 Ų132.671%0.71377%0.767SS**  trans7.1114.4143.456.20000119.1
1123I30.3Very low28.8Very low159 Ų159131.8 Ų131.882%0.81578%0.775SS**  trans-164.9109.3136.7-89.6139.7000103.2
1124S28.3Very low28.6Very low93 Ų93128.7 Ų128.765%0.6577%0.766SS**  78.5118.562.5-62.10000113.2
1125S30.5Very low28.6Very low124 Ų124127.3 Ų127.387%0.86778%0.775SS**  trans59.5146.3176.243.70000117.1
1126S30.7Very low28.6Very low103 Ų103126.1 Ų126.172%0.7278%0.777SS**  cis-146.8145.8-6.547.60000108.5
1127L28.3Very low28.6Very low165 Ų165126.2 Ų126.286%0.86478%0.783SS**  36.4137.498.6-94.568.3000115.3
1128S29Very low28.6Very low119 Ų119123 Ų12383%0.83278%0.781SS**  cis-147164.826.853.90000115.7
1129S27.7Very low28.6Very low110 Ų110122.1 Ų122.177%0.76978%0.781SS**  trans-105.1154.3-177.954.60000114.7
1130S29.1Very low28.6Very low114 Ų114124.9 Ų124.980%0.79779%0.785SS**  trans-156.7101.2148.547.10000111.4
1131T27.7Very low28.4Very low135 Ų135125.6 Ų125.683%0.82879%0.785SS**  54.7100.585.630.70000119.3
1132S30.2Very low28.2Very low104 Ų104121.8 Ų121.873%0.72778%0.778SS**  trans-166114.1139.950.70000107.9
1133T27.5Very low28.2Very low131 Ų131123.4 Ų123.480%0.80478%0.779SS**  49.4128.884.262.30000113.9
1134S27.9Very low28Very low92 Ų92122.7 Ų122.764%0.64378%0.777SS**  cis-171.4168.50.149.70000109.9
1135T27.7Very low27.8Very low123 Ų123122.7 Ų122.776%0.75578%0.777SS**  trans62.1152.3160.248.60000116.7
1136T29.4Very low27.7Very low114 Ų114125.9 Ų125.970%0.69978%0.779SS**  cis-156.8158.6-2.91.70000109.8
1137S26.9Very low27.5Very low120 Ų120127.4 Ų127.484%0.83978%0.778SS**  trans32.196.6143.4-49.40000120.4
1138A29.5Very low27.4Very low99 Ų99125.8 Ų125.882%0.81877%0.769SS**  trans-152101.3155.200000112.1
1139T25.2Very low27.4Very low143 Ų143129.8 Ų129.888%0.87777%0.772SS**  trans-81.7120170.714.70000110.9
1140I29.1Very low27.4Very low168 Ų168131.2 Ų131.286%0.86277%0.766SS**  trans-143.8135153.2-91.5122.4000109.5
1141T24.7Very low27.3Very low123 Ų123132.3 Ų132.376%0.75576%0.763SS**  trans-82.6142-176.4-40.90000111.5
1142T25.2Very low27.2Very low116 Ų116131 Ų13171%0.71275%0.751SS**  162.9158.7123.441.30000114.2
1143N26.6Very low27.1Very low136 Ų136132.3 Ų132.373%0.72776%0.755SS**  trans76.393.4157.2-55.2-33.4000119.9
1144N26.4Very low27Very low144 Ų144131.5 Ų131.577%0.7775%0.753SS**  trans5476137.4-59.2-5.2000118.4
1145S24.7Very low27Very low94 Ų94133.6 Ų133.666%0.65776%0.757SS**SBendtrans-57.7147.4151.143.80000112.1L1147S1145-L1147 PolarHBondContact O-N 2.82Å; S1145-L1147 VanDerWaalsContact O-N 3.09Å
1146Q28.3Very low27Very low191 Ų191134.4 Ų134.489%0.89376%0.756SS**SBendtrans66.75.7155.4-65166.6-13.100119.7
1147L26.7Very low27.2Very low134 Ų134134 Ų13470%0.70275%0.748SS**  trans-115.274.1178.1-80.2168.6000114.4S1145S1145-L1147 PolarHBondContact O-N 2.82Å; S1145-L1147 VanDerWaalsContact O-N 3.09Å
1148L26.5Very low27.3Very low132 Ų132130 Ų13069%0.69172%0.719SS**SBendtrans-151.7-9.4164.2-146.367000117.5
1149F27.4Very low27.4Very low203 Ų203130 Ų13089%0.8971%0.706SS**SBendtrans-102-8.5178.6-82.8-82.8000115.2
1150Q28.6Very low27.8Very low139 Ų139130.8 Ų130.865%0.6569%0.694SS**SBendtrans-99.992.8164.9-70.3179.1-11.700109.1
1151N26.2Very low28.1Very low137 Ų137126.9 Ų126.973%0.73367%0.674SS**SBendtrans166.1-20.9156.9-92.3-40.5000113.4V1153N1151-V1153 PolarHBondContact O-N 3.3Å
1152N26.3Very low28.7Very low107 Ų107126.5 Ų126.557%0.57267%0.667SS**G310 helixtrans-86.2-5.1-166.7-74.8-27.1000116.5
1153V27.5Very low29.5Very low133 Ų133128.5 Ų128.581%0.80667%0.665SS**G310 helixtrans-76.9-25.8179.4-1750000112.2N1151 N1155N1151-V1153 PolarHBondContact O-N 3.3Å; V1153-N1155 VanDerWaalsContact C-N 3.29Å; V1153-N1155 PolarHBondContact O-N 3.21Å
1154C26.3Very low29.9Very low114 Ų114125.7 Ų125.777%0.7766%0.656SS**G310 helixtrans-77.1-5-176.1-60.90000115.2
1155N26.8Very low30.1Very low135 Ų135123.4 Ų123.472%0.72265%0.651SS**G310 helixtrans-119.524.7-166.8-82.8-32.3000114.9V1153V1153-N1155 VanDerWaalsContact C-N 3.29Å; V1153-N1155 PolarHBondContact O-N 3.21Å
1156I28.9Very low30.8Very low141 Ų141124 Ų12472%0.72365%0.653SS**  trans-114.659.7171.2-41.7-177.8000110.8P1158I1156-P1158 WeakPolarHBondContact O-CD 3.33Å
1157I32.4Very low31.3Very low105 Ų105121.2 Ų121.254%0.53865%0.651SS.*  trans-89.7108.4147.4-59.8178.1000105.5D1159 L1161 L1162I1157-D1159 PolarHBondContact O-N 3.31Å; I1157-L1161 HydrophobicContact CG2-CB 4.22Å; I1157-L1162 HydrophobicContact CG2-CD1 3.99Å; I1157-L1162 HydrophobicContact CG2-CG 3.87Å
1158P30.5Very low31.9Very low37 Ų37117.1 Ų117.124%0.2463%0.634CS.*  trans-58.9137.7177.5-25.435.4000111I1156 Y1160 L1161I1156-P1158 WeakPolarHBondContact O-CD 3.33Å; P1158-Y1160 HydrophobicContact CB-CD1 3.49Å; P1158-Y1160 VanDerWaalsContact CB-CD1 3.49Å; P1158-Y1160 HydrophobicContact CB-CE1 3.19Å; P1158-Y1160 HydrophobicContact CB-CE2 4.28Å; P1158-Y1160 HydrophobicContact CB-CG 4.15Å; P1158-Y1160 HydrophobicContact CG-CE1 3.88Å; P1158-Y1160 PolarHBondContact O-N 2.91Å; P1158-L1161 WeakPolarHBondContact O-CB 3.23Å; P1158-L1161 PolarHBondContact O-N 3.38Å
1159D31.6Very low32.7Very low99 Ų99115.7 Ų115.753%0.52963%0.626SS.*Hα-helixtrans-57.1-24.6-174.4-146.335.7000112.7I1157 K1163I1157-D1159 PolarHBondContact O-N 3.31Å; D1159-K1163 WeakPolarHBondContact O-CB 3.16Å; D1159-K1163 WeakPolarHBondContact O-CD 3.22Å; D1159-K1163 WeakPolarHBondContact O-CG 3.48Å; D1159-K1163 PolarHBondContact O-N 2.75Å; D1159-K1163 VanDerWaalsContact O-N 3.09Å; D1159-K1163 WeakPolarHBondContact OD2-CE 3.35Å; D1159-K1163 IonicContact OD2-NZ 3.29Å; D1159-K1163 PolarHBondContact OD2-NZ 3.06Å
1160Y33.2Very low33.6Very low159 Ų159108 Ų10862%0.62460%0.598SS**Hα-helixtrans-67.7-33172.867.8-105.6000113.8P1158 K1163 S1164P1158-Y1160 HydrophobicContact CB-CD1 3.49Å; P1158-Y1160 VanDerWaalsContact CB-CD1 3.49Å; P1158-Y1160 HydrophobicContact CB-CE1 3.19Å; P1158-Y1160 HydrophobicContact CB-CE2 4.28Å; P1158-Y1160 HydrophobicContact CB-CG 4.15Å; P1158-Y1160 HydrophobicContact CG-CE1 3.88Å; P1158-Y1160 PolarHBondContact O-N 2.91Å; Y1160-K1163 PolarHBondContact O-N 3.41Å; Y1160-S1164 WeakPolarHBondContact O-CB 3.34Å; Y1160-S1164 PolarHBondContact O-N 3.28Å; Y1160-S1164 PolarHBondContact O-OG 3.34Å
1161L35.2Very low34.8Very low86 Ų86105.8 Ų105.845%0.4560%0.596SS.*Hα-helixtrans-69.5-38177.5-69-174.9000111.6I1157 P1158 S1164I1157-L1161 HydrophobicContact CG2-CB 4.22Å; P1158-L1161 WeakPolarHBondContact O-CB 3.23Å; P1158-L1161 PolarHBondContact O-N 3.38Å; L1161-S1164 WeakPolarHBondContact CA-OG 2.92Å; L1161-S1164 PolarHBondContact O-OG 3.13Å
1162L38.2Very low36.6Very low115 Ų115104.9 Ų104.960%0.60259%0.59SS**Hα-helixtrans-70.3-34.6174.4-75.3165.5000112I1157I1157-L1162 HydrophobicContact CG2-CD1 3.99Å; I1157-L1162 HydrophobicContact CG2-CG 3.87Å
1163K40.4Very low38.4Very low157 Ų157103 Ų10368%0.68358%0.58SS**Hα-helixtrans-79.4-21.5175.9-72.1166178166.60114D1159 Y1160D1159-K1163 WeakPolarHBondContact O-CB 3.16Å; D1159-K1163 WeakPolarHBondContact O-CD 3.22Å; D1159-K1163 WeakPolarHBondContact O-CG 3.48Å; D1159-K1163 PolarHBondContact O-N 2.75Å; D1159-K1163 VanDerWaalsContact O-N 3.09Å; D1159-K1163 WeakPolarHBondContact OD2-CE 3.35Å; D1159-K1163 IonicContact OD2-NZ 3.29Å; D1159-K1163 PolarHBondContact OD2-NZ 3.06Å; Y1160-K1163 PolarHBondContact O-N 3.41Å
1164S34.7Very low40.2Very low77 Ų7797.9 Ų97.954%0.53855%0.554SS.*SBendtrans-81.6-8.3-178.866.40000115.5Y1160 L1161 P1166Y1160-S1164 WeakPolarHBondContact O-CB 3.34Å; Y1160-S1164 PolarHBondContact O-N 3.28Å; Y1160-S1164 PolarHBondContact O-OG 3.34Å; L1161-S1164 WeakPolarHBondContact CA-OG 2.92Å; L1161-S1164 PolarHBondContact O-OG 3.13Å; S1164-P1166 WeakPolarHBondContact O-CD 3.31Å
1165C32.1Very low42Very low96 Ų9696.5 Ų96.565%0.64954%0.536SS*.SBendtrans-83.7106.2172.9-83.50000110.2
1166P39.1Very low43.7Very low108 Ų10896.9 Ų96.970%0.70153%0.529SS*.  trans-61.4144.717227.6-35000109.9S1164 S1168S1164-P1166 WeakPolarHBondContact O-CD 3.31Å; P1166-S1168 PolarHBondContact O-N 2.86Å
1167P39.4Very low45.1Very low132 Ų13293 Ų9386%0.85751%0.513SS*.  trans-66.399.4-175.826.3-34.4000110.9D1169P1167-D1169 PolarHBondContact O-N 3.45Å
1168S38.4Very low46.5Very low48 Ų4896.5 Ų96.534%0.33652%0.52SS..  trans-64.8117.4178.7630000110.5P1166 S1170P1166-S1168 PolarHBondContact O-N 2.86Å; S1168-S1170 PolarHBondContact O-N 2.86Å; S1168-S1170 PolarHBondContact OG-O 2.86Å
1169D43.8Very low48.4Very low101 Ų101100.1 Ų100.154%0.5454%0.536SS..SBendtrans-62.4-6178.8-142-4.3000112.7R941 P1167 P1171R941-D1169 IonicContact CZ-OD1 2.83Å; R941-D1169 IonicContact NH1-OD1 3.69Å; R941-D1169 PolarHBondContact NH1-OD1 3.31Å; R941-D1169 IonicContact NH2-OD1 2.88Å; R941-D1169 PolarHBondContact NH2-OD1 2.72Å; R941-D1169 IonicContact NH2-OD2 3.34Å; R941-D1169 PolarHBondContact NH2-OD2 2.97Å; P1167-D1169 PolarHBondContact O-N 3.45Å; D1169-P1171 WeakPolarHBondContact O-CD 3.29Å
1170S45.5Very low50.1Low42 Ų4299.3 Ų99.329%0.29453%0.532SS..  trans-99.2100.5171.446.60000111.7S1168 L1172 L1173 G1174S1168-S1170 PolarHBondContact O-N 2.86Å; S1168-S1170 PolarHBondContact OG-O 2.86Å; S1170-L1172 PolarHBondContact O-N 3.02Å; S1170-L1172 VanDerWaalsContact O-N 3.11Å; S1170-L1173 PolarHBondContact O-N 3.09Å; S1170-L1173 WeakPolarHBondContact OG-CB 3.34Å; S1170-G1174 PolarHBondContact O-N 3.03Å
1171P54.6Low51.4Low93 Ų9397 Ų9760%0.60453%0.529SS*.Hα-helixtrans-61.9-23.1178.423.8-33.8000113.5D1169 L1173 Q1175D1169-P1171 WeakPolarHBondContact O-CD 3.29Å; P1171-L1173 VanDerWaalsContact C-N 3.35Å; P1171-Q1175 WeakPolarHBondContact O-CG 3.36Å; P1171-Q1175 PolarHBondContact O-N 3.3Å
1172L62.8Low52.4Low117 Ų11797.6 Ų97.661%0.61353%0.533SS*.Hα-helixtrans-65.6-33.3172-70170.8000113S1170 Y1176S1170-L1172 PolarHBondContact O-N 3.02Å; S1170-L1172 VanDerWaalsContact O-N 3.11Å; L1172-Y1176 WeakPolarHBondContact O-CB 3.37Å; L1172-Y1176 PolarHBondContact O-N 3.2Å
1173L65Low52.7Low68 Ų68100 Ų10036%0.35653%0.534SS..Hα-helixtrans-73.6-44.7178.1-175.459.3000110.3S1170 P1171 Q1175 Y1176 C1177S1170-L1173 PolarHBondContact O-N 3.09Å; S1170-L1173 WeakPolarHBondContact OG-CB 3.34Å; P1171-L1173 VanDerWaalsContact C-N 3.35Å; L1173-Q1175 VanDerWaalsContact C-N 3.28Å; L1173-Q1175 PolarHBondContact O-N 3.31Å; L1173-Y1176 HydrophobicContact CD1-CD1 4.41Å; L1173-Y1176 PolarHBondContact O-N 3.36Å; L1173-Y1176 VanDerWaalsContact O-N 3.1Å; L1173-C1177 PolarHBondContact O-N 2.78Å; L1173-C1177 PolarHBondContact O-SG 2.83Å; L1173-C1177 VanDerWaalsContact O-SG 3.35Å
1174G66.2Low52.9Low26 Ų2695 Ų9527%0.26852%0.522SS..Hα-helixtrans-58-38.3172.100000113.2S1170 R1178S1170-G1174 PolarHBondContact O-N 3.03Å; G1174-R1178 WeakPolarHBondContact O-CB 3.31Å; G1174-R1178 VanDerWaalsContact O-CG 3.31Å; G1174-R1178 WeakPolarHBondContact O-CG 3.09Å; G1174-R1178 PolarHBondContact O-N 3.02Å; G1174-R1178 VanDerWaalsContact O-N 3.11Å
1175Q62.7Low53.1Low85 Ų8596.7 Ų96.740%0.39752%0.524SS..Hα-helixtrans-67.9-41.5171.8-76.6179.9-18.900112.8P1171 L1173 R1178 L1179P1171-Q1175 WeakPolarHBondContact O-CG 3.36Å; P1171-Q1175 PolarHBondContact O-N 3.3Å; L1173-Q1175 VanDerWaalsContact C-N 3.28Å; L1173-Q1175 PolarHBondContact O-N 3.31Å; Q1175-R1178 PolarHBondContact O-N 3.22Å; Q1175-L1179 WeakPolarHBondContact O-CB 3.47Å; Q1175-L1179 PolarHBondContact O-N 3.2Å
1176Y62.6Low53.4Low142 Ų14298.3 Ų98.356%0.55753%0.527SS*.Hα-helixtrans-65.6-42.6177.9-179.5-116.8000112.4L1172 L1173 R1178 L1179 L1180L1172-Y1176 WeakPolarHBondContact O-CB 3.37Å; L1172-Y1176 PolarHBondContact O-N 3.2Å; L1173-Y1176 HydrophobicContact CD1-CD1 4.41Å; L1173-Y1176 PolarHBondContact O-N 3.36Å; L1173-Y1176 VanDerWaalsContact O-N 3.1Å; Y1176-R1178 PolarHBondContact O-N 3.3Å; Y1176-L1179 PolarHBondContact O-N 3.36Å; Y1176-L1180 HydrophobicContact CD1-CD1 3.95Å; Y1176-L1180 HydrophobicContact CE1-CD1 3.48Å; Y1176-L1180 VanDerWaalsContact CE1-CD1 3.48Å; Y1176-L1180 HydrophobicContact CE1-CG 4.36Å; Y1176-L1180 HydrophobicContact CE2-CD1 4.28Å; Y1176-L1180 HydrophobicContact CE2-CG 4.3Å; Y1176-L1180 PolarHBondContact O-N 2.76Å
1177C59.6Low53.3Low59 Ų5998.7 Ų98.740%0.39952%0.523SS..Hα-helixtrans-63.4-39.4173.7-660000112L1173 L1180 L1181L1173-C1177 PolarHBondContact O-N 2.78Å; L1173-C1177 PolarHBondContact O-SG 2.83Å; L1173-C1177 VanDerWaalsContact O-SG 3.35Å; C1177-L1180 PolarHBondContact O-N 3.12Å; C1177-L1181 WeakPolarHBondContact O-CB 3.46Å; C1177-L1181 WeakPolarHBondContact O-CG 3.46Å; C1177-L1181 PolarHBondContact O-N 3.38Å
1178R60.9Low53.1Low179 Ų17999.4 Ų99.468%0.67551%0.514SS*.Hα-helixtrans-64.9-39.7172.4-75.5177.4-179.9-162.8-1112.7G1174 Q1175 Y1176 L1181 L1182G1174-R1178 WeakPolarHBondContact O-CB 3.31Å; G1174-R1178 VanDerWaalsContact O-CG 3.31Å; G1174-R1178 WeakPolarHBondContact O-CG 3.09Å; G1174-R1178 PolarHBondContact O-N 3.02Å; G1174-R1178 VanDerWaalsContact O-N 3.11Å; Q1175-R1178 PolarHBondContact O-N 3.22Å; Y1176-R1178 PolarHBondContact O-N 3.3Å; R1178-L1181 PolarHBondContact O-N 3.29Å; R1178-L1182 WeakPolarHBondContact O-CB 3.21Å; R1178-L1182 VanDerWaalsContact O-CG 3.29Å; R1178-L1182 WeakPolarHBondContact O-CG 3.08Å; R1178-L1182 PolarHBondContact O-N 3.07Å
1179L69.5Low52.8Low113 Ų113103.9 Ų103.959%0.59254%0.535SS*.Hα-helixtrans-68.3-32.6175.2-82161.8000112.9Q1175 Y1176 R1183Q1175-L1179 WeakPolarHBondContact O-CB 3.47Å; Q1175-L1179 PolarHBondContact O-N 3.2Å; Y1176-L1179 PolarHBondContact O-N 3.36Å; L1179-R1183 WeakPolarHBondContact O-CB 3.37Å; L1179-R1183 PolarHBondContact O-N 2.89Å
1180L67.7Low52.2Low82 Ų82106.9 Ų106.943%0.42955%0.551SS.*Hα-helixtrans-68.3-43.9170.7-83.6168.6000111.9Y1176 C1177 R1183 A1184Y1176-L1180 HydrophobicContact CD1-CD1 3.95Å; Y1176-L1180 HydrophobicContact CE1-CD1 3.48Å; Y1176-L1180 VanDerWaalsContact CE1-CD1 3.48Å; Y1176-L1180 HydrophobicContact CE1-CG 4.36Å; Y1176-L1180 HydrophobicContact CE2-CD1 4.28Å; Y1176-L1180 HydrophobicContact CE2-CG 4.3Å; Y1176-L1180 PolarHBondContact O-N 2.76Å; C1177-L1180 PolarHBondContact O-N 3.12Å; L1180-R1183 PolarHBondContact O-N 3.49Å; L1180-A1184 VanDerWaalsContact O-CB 3.27Å; L1180-A1184 WeakPolarHBondContact O-CB 3.43Å; L1180-A1184 PolarHBondContact O-N 2.77Å
1181L61.4Low51.4Low110 Ų110111.2 Ų111.258%0.57658%0.575SS**Hα-helixtrans-64-42.5176.2-77.4161.6000112.1C1177 R1178 A1184 N1185C1177-L1181 WeakPolarHBondContact O-CB 3.46Å; C1177-L1181 WeakPolarHBondContact O-CG 3.46Å; C1177-L1181 PolarHBondContact O-N 3.38Å; R1178-L1181 PolarHBondContact O-N 3.29Å; L1181-A1184 PolarHBondContact O-N 2.73Å; L1181-N1185 VanDerWaalsContact O-CG 3.24Å; L1181-N1185 PolarHBondContact O-N 2.74Å; L1181-N1185 VanDerWaalsContact O-N 3.16Å; L1181-N1185 PolarHBondContact O-OD1 3.25Å
1182L56.5Low50.3Low100 Ų100112.9 Ų112.952%0.52458%0.584SS.*Hα-helixtrans-61.3-51.4174.1-73.2165.8000110.8R1178 A1184 N1185 D1186R1178-L1182 WeakPolarHBondContact O-CB 3.21Å; R1178-L1182 VanDerWaalsContact O-CG 3.29Å; R1178-L1182 WeakPolarHBondContact O-CG 3.08Å; R1178-L1182 PolarHBondContact O-N 3.07Å; L1182-A1184 VanDerWaalsContact C-N 3.32Å; L1182-A1184 PolarHBondContact O-N 3.33Å; L1182-N1185 WeakPolarHBondContact O-CB 3.44Å; L1182-N1185 PolarHBondContact O-N 3.3Å; L1182-D1186 VanDerWaalsContact O-CG 3.25Å; L1182-D1186 PolarHBondContact O-N 3.16Å
1183R43.7Very low48.7Very low166 Ų166110.7 Ų110.763%0.62658%0.582SS**Hα-helixtrans-58.8-40.7176.9175.5174.5-72.9-179.7-7113L1179 L1180 N1185 D1186 D1187L1179-R1183 WeakPolarHBondContact O-CB 3.37Å; L1179-R1183 PolarHBondContact O-N 2.89Å; L1180-R1183 PolarHBondContact O-N 3.49Å; R1183-N1185 PolarHBondContact O-N 2.83Å; R1183-D1186 PolarHBondContact O-N 3.07Å; R1183-D1187 VanDerWaalsContact CG-OD2 3.25Å; R1183-D1187 WeakPolarHBondContact CG-OD2 3.35Å; R1183-D1187 WeakPolarHBondContact O-CB 3.45Å; R1183-D1187 PolarHBondContact O-N 2.73Å
1184A44Very low46.8Very low51 Ų51113.5 Ų113.542%0.42160%0.602SS.*Hα-helixtrans-65.8-22.7178.200000113.2L1180 L1181 L1182L1180-A1184 VanDerWaalsContact O-CB 3.27Å; L1180-A1184 WeakPolarHBondContact O-CB 3.43Å; L1180-A1184 PolarHBondContact O-N 2.77Å; L1181-A1184 PolarHBondContact O-N 2.73Å; L1182-A1184 VanDerWaalsContact C-N 3.32Å; L1182-A1184 PolarHBondContact O-N 3.33Å
1185N39Very low45.1Very low112 Ų112117.9 Ų117.960%0.59962%0.624SS**Hα-helixtrans-88-33.7172-63.4-5.8000111.8L1181 L1182 R1183 D1187 H1188L1181-N1185 VanDerWaalsContact O-CG 3.24Å; L1181-N1185 PolarHBondContact O-N 2.74Å; L1181-N1185 VanDerWaalsContact O-N 3.16Å; L1181-N1185 PolarHBondContact O-OD1 3.25Å; L1182-N1185 WeakPolarHBondContact O-CB 3.44Å; L1182-N1185 PolarHBondContact O-N 3.3Å; R1183-N1185 PolarHBondContact O-N 2.83Å; N1185-D1187 VanDerWaalsContact C-N 3.33Å; N1185-H1188 PolarHBondContact O-N 3.07Å
1186D38.1Very low43.5Very low130 Ų130119.8 Ų119.870%0.69564%0.637SS**Hα-helixtrans-69.7-28.2175.5-62-34.8000112.3L1182 R1183 H1188L1182-D1186 VanDerWaalsContact O-CG 3.25Å; L1182-D1186 PolarHBondContact O-N 3.16Å; R1183-D1186 PolarHBondContact O-N 3.07Å; D1186-H1188 PolarHBondContact O-N 3.1Å
1187D37.1Very low41.8Very low117 Ų117121 Ų12163%0.62665%0.647SS**THydrogen-bonded Turntrans-8219.4176.6-71.8-37.7000112.9R1183 N1185R1183-D1187 VanDerWaalsContact CG-OD2 3.25Å; R1183-D1187 WeakPolarHBondContact CG-OD2 3.35Å; R1183-D1187 WeakPolarHBondContact O-CB 3.45Å; R1183-D1187 PolarHBondContact O-N 2.73Å; N1185-D1187 VanDerWaalsContact C-N 3.33Å
1188H35.7Very low40.3Very low146 Ų146124.3 Ų124.368%0.67666%0.66SS**SBendtrans-130.569-177-83.91.9000113.7N1185 D1186N1185-H1188 PolarHBondContact O-N 3.07Å; D1186-H1188 PolarHBondContact O-N 3.1Å
1189D32.6Very low38.7Very low142 Ų142122.9 Ų122.976%0.75967%0.665SS**SBendtrans-164.1-22.4152.6-108.3-25.9000114.1T1191D1189-T1191 PolarHBondContact O-N 3.25Å
1190D31.5Very low36.8Very low165 Ų165125.1 Ų125.188%0.88268%0.676SS**THydrogen-bonded Turntrans-70.918.7-173.5-110.9-3.2000116.1
1191T28Very low35Very low132 Ų132126.8 Ų126.881%0.8169%0.689SS**THydrogen-bonded Turntrans-131.632.6-177.149.10000115.3D1189 A1193D1189-T1191 PolarHBondContact O-N 3.25Å; T1191-A1193 VanDerWaalsContact C-N 3.34Å; T1191-A1193 PolarHBondContact O-N 3.24Å
1192V30.9Very low33.4Very low129 Ų129128.9 Ų128.978%0.78270%0.702SS**  trans-7490163.5-177.10000110.4
1193A29.6Very low32.3Very low70 Ų70130.3 Ų130.358%0.57972%0.715SS**  trans44.382.9145.200000118.2T1191 V1195T1191-A1193 VanDerWaalsContact C-N 3.34Å; T1191-A1193 PolarHBondContact O-N 3.24Å; A1193-V1195 HydrophobicContact CB-CG2 3.97Å; A1193-V1195 PolarHBondContact O-N 3.38Å
1194T26.3Very low31.7Very low127 Ų127131.1 Ų131.178%0.77973%0.725SS**  trans-70.183.9143.252.30000108.6
1195V30.2Very low31.3Very low119 Ų119135.4 Ų135.472%0.72174%0.741SS**  trans-97.1108168.5168.20000107.5A1193A1193-V1195 HydrophobicContact CB-CG2 3.97Å; A1193-V1195 PolarHBondContact O-N 3.38Å
1196D28.2Very low31Very low125 Ų125135.7 Ų135.767%0.66874%0.743SS**  trans-70.4155.8173.9-63.8-61.7000111.5
1197H26.6Very low30.7Very low167 Ų167135.6 Ų135.677%0.77374%0.742SS**  trans59.583.7164.4-54.5-58.9000118.2
1198I30Very low30.4Very low129 Ų129137 Ų13766%0.66275%0.75SS**  trans-119.6121.9136.8-64-178.1000107.7I1200I1198-I1200 PolarHBondContact O-N 3.1Å
1199N25.6Very low30.1Very low148 Ų148137.1 Ų137.179%0.79175%0.754SS**  trans-70123.6172.8-64.7-12.9000109
1200I30.2Very low29.8Very low160 Ų160135.1 Ų135.182%0.82175%0.751SS**  trans-111.8124.7156.1-62.7-178000105.6I1198I1198-I1200 PolarHBondContact O-N 3.1Å
1201V30.8Very low29.6Very low117 Ų117133.3 Ų133.371%0.70975%0.746SS**  trans-68.5144.4-173.4174.10000109.9T1203V1201-T1203 PolarHBondContact O-N 2.95Å
1202D27.1Very low29.5Very low155 Ų155134.9 Ų134.983%0.82975%0.748SS**  trans-54.7125.1173-59-73.8000110.7
1203T33.1Very low29.3Very low130 Ų130134.7 Ų134.780%0.79874%0.742SS**  trans-142.695.7162.3-46.90000106.5V1201 D1205V1201-T1203 PolarHBondContact O-N 2.95Å; T1203-D1205 PolarHBondContact O-N 3.45Å
1204E30.7Very low29.2Very low182 Ų182137.8 Ų137.885%0.8575%0.749SS**  trans-64.9118.2176.5-58.6-178.7131.800109.1
1205D35.6Very low29.2Very low141 Ų141140 Ų14075%0.75474%0.744SS**  trans-152.2100.7147.5-121.9-30.6000113.7T1203T1203-D1205 PolarHBondContact O-N 3.45Å
1206N32.8Very low29Very low118 Ų118139 Ų13963%0.63174%0.743SS**  trans35.5113.2136.3-67.4-71.7000120.5
1207N32.1Very low28.9Very low128 Ų128138.2 Ų138.268%0.68474%0.742SS**  trans5599.6131.1-49.9-43.4000118.3
1208N31.7Very low29Very low147 Ų147138.9 Ų138.979%0.78674%0.742SS**  -176.1129.596.1-92.4-51.3000115
1209I28.6Very low28.8Very low149 Ų149140.1 Ų140.176%0.76475%0.75SS**  trans21.2125.8139.2-65.8165.3000119.6
1210S25.7Very low28.9Very low99 Ų99137.9 Ų137.969%0.69274%0.741SS**  trans104.4146.7144.375.50000121.6
1211T27Very low28.8Very low127 Ų127136.3 Ų136.378%0.77974%0.742SS**  trans55.875.2166.5580000118.4
1212L26.9Very low28.8Very low165 Ų165137 Ų13786%0.86475%0.746SS**  trans-94.7130142.1-15975.1000108.7D1214L1212-D1214 PolarHBondContact O-N 3.09Å
1213I27.1Very low28.9Very low126 Ų126134.3 Ų134.365%0.64675%0.745SS**  trans-90.588.1-172.8-57173.1000109.1Y1215I1213-Y1215 HydrophobicContact CG2-CD2 3.98Å; I1213-Y1215 HydrophobicContact CG2-CE2 3.82Å; I1213-Y1215 WeakPolarHBondContact O-CD2 3.45Å; I1213-Y1215 PolarHBondContact O-N 2.83Å; I1213-Y1215 VanDerWaalsContact O-N 3.09Å
1214D27.1Very low28.7Very low134 Ų134137 Ų13772%0.71775%0.749SS**  trans-67.7104.6170.4-96.3-13.5000109.8L1212 S1216L1212-D1214 PolarHBondContact O-N 3.09Å; D1214-S1216 PolarHBondContact O-N 3.33Å; D1214-S1216 PolarHBondContact O-OG 3.31Å
1215Y26.2Very low28.7Very low173 Ų173134.9 Ų134.968%0.67875%0.749SS**  trans-67.855.6174.9-88.3-95.4000112.6I1213 V1217I1213-Y1215 HydrophobicContact CG2-CD2 3.98Å; I1213-Y1215 HydrophobicContact CG2-CE2 3.82Å; I1213-Y1215 WeakPolarHBondContact O-CD2 3.45Å; I1213-Y1215 PolarHBondContact O-N 2.83Å; I1213-Y1215 VanDerWaalsContact O-N 3.09Å; Y1215-V1217 PolarHBondContact O-N 3.2Å
1216S26.6Very low28.5Very low100 Ų100134.2 Ų134.270%0.69975%0.752SS**  trans-84.455.7179.953.30000111.4D1214 K1218D1214-S1216 PolarHBondContact O-N 3.33Å; D1214-S1216 PolarHBondContact O-OG 3.31Å; S1216-K1218 VanDerWaalsContact C-N 3.3Å; S1216-K1218 PolarHBondContact O-N 3.35Å
1217V26.6Very low28.5Very low107 Ų107133.1 Ų133.165%0.64876%0.759SS**  trans-67.587.1179.9-172.80000110.1Y1215 L1219Y1215-V1217 PolarHBondContact O-N 3.2Å; V1217-L1219 VanDerWaalsContact C-N 3.34Å; V1217-L1219 HydrophobicContact CG1-CD2 4.21Å; V1217-L1219 HydrophobicContact CG1-CG 4.21Å; V1217-L1219 PolarHBondContact O-N 3.38Å
1218K27.5Very low28.4Very low181 Ų181133.2 Ų133.279%0.78777%0.765SS**  trans-61.897.7161.4-77.5178.6178.2169.60108.4S1216 T1220S1216-K1218 VanDerWaalsContact C-N 3.3Å; S1216-K1218 PolarHBondContact O-N 3.35Å; K1218-T1220 PolarHBondContact O-N 3.3Å; K1218-T1220 PolarHBondContact O-OG1 2.97Å
1219L26.2Very low28.9Very low156 Ų156132.1 Ų132.182%0.81777%0.766SS**  trans-70.666.4161.8-71.7174.1000109.9V1217 P1221V1217-L1219 VanDerWaalsContact C-N 3.34Å; V1217-L1219 HydrophobicContact CG1-CD2 4.21Å; V1217-L1219 HydrophobicContact CG1-CG 4.21Å; V1217-L1219 PolarHBondContact O-N 3.38Å; L1219-P1221 WeakPolarHBondContact O-CD 3.08Å
1220T27.8Very low29.1Very low100 Ų100135.3 Ų135.361%0.61379%0.792SS**  trans-63.4119.2156.230.90000107.7K1218 T1222K1218-T1220 PolarHBondContact O-N 3.3Å; K1218-T1220 PolarHBondContact O-OG1 2.97Å; T1220-T1222 VanDerWaalsContact C-N 3.33Å; T1220-T1222 PolarHBondContact O-N 2.83Å
1221P28.1Very low29.2Very low128 Ų128137.2 Ų137.283%0.83180%0.797SS**  trans-74.189.2177.530.3-33.7000109.5L1219 A1223L1219-P1221 WeakPolarHBondContact O-CD 3.08Å; P1221-A1223 PolarHBondContact O-N 3.3Å
1222T30.7Very low29.3Very low131 Ų131137.7 Ų137.780%0.80480%0.798SS**  trans-62.8112164.437.50000108.7T1220 E1224T1220-T1222 VanDerWaalsContact C-N 3.33Å; T1220-T1222 PolarHBondContact O-N 2.83Å; T1222-E1224 PolarHBondContact O-N 3.44Å
1223A28.1Very low29.5Very low98 Ų98136.2 Ų136.281%0.8179%0.794SS**  trans-78.1103.7176.800000109.8P1221P1221-A1223 PolarHBondContact O-N 3.3Å
1224E28.8Very low29.6Very low188 Ų188136.8 Ų136.888%0.87980%0.803SS**  trans-166.746.9163.7-117.8170.2-14000114.2T1222T1222-E1224 PolarHBondContact O-N 3.44Å
1225T32.2Very low29.8Very low136 Ų136136.9 Ų136.983%0.83481%0.808SS**  trans-157.6123.7160.4-14.20000113.5A1227T1225-A1227 PolarHBondContact O-N 3.05Å
1226P29.7Very low30Very low127 Ų127134.5 Ų134.583%0.82582%0.817SS**  trans-84.890174.932.7-32.5000111.4T1228P1226-T1228 PolarHBondContact O-N 2.67Å
1227A34.7Very low30.3Very low95 Ų95137 Ų13779%0.78583%0.825SS**PPolyproline II helixtrans-68.5117.3171.400000111.2T1225T1225-A1227 PolarHBondContact O-N 3.05Å
1228T29.5Very low30.5Very low130 Ų130139.3 Ų139.380%0.79884%0.839SS**PPolyproline II helixtrans-70.8125173.140.20000111.4P1226P1226-T1228 PolarHBondContact O-N 2.67Å
1229P41.4Very low30.8Very low124 Ų124135.8 Ų135.881%0.80584%0.843SS**PPolyproline II helixtrans-74.2147.5170.331.7-33.9000111.4
1230V32.5Very low31.2Very low217 Ų217134 Ų134100%1.31585%0.845SS**  trans-82.40172.8179.40000110.6

Retrieved 1,230 of 1,230 residues in 173.9 ms (Link to these results)