Z4YM60_MOUSE Loading...

SANT and BTB domain regulator of CSR

AlphaFold DB , UniProt , Accession Z4YM60, Species MOUSE (Mus musculus, Mouse), Gene Sanbr, Length 213 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
1A44.3Very low45.3Very low157 Ų157136.6 Ų136.6100%1.29882%0.816SS**  0128.9000000108.2
2V49.2Very low45.8Very low118 Ų118135.2 Ų135.272%0.71581%0.812SS**  trans-106.1152.6171.4178.90000107.2F4V2-F4 HydrophobicContact CG1-CB 4Å; V2-F4 HydrophobicContact CG1-CD2 4.45Å
3P55.7Low44.9Very low125 Ų125130.8 Ų130.881%0.81281%0.812SS**  -131.8130.6116.434.1-23000108.6
4F40.5Very low44.7Very low163 Ų163132.8 Ų132.872%0.71582%0.823SS**  cis64.313245.2-127.7-63.5000116.5V2V2-F4 HydrophobicContact CG1-CB 4Å; V2-F4 HydrophobicContact CG1-CD2 4.45Å
5L50.3Low44Very low119 Ų119128.3 Ų128.362%0.62381%0.813SS**  trans108.6127.2154.1-93.167.3000113.5
6K45.9Very low43.5Very low181 Ų181127.9 Ų127.979%0.78782%0.815SS**  cis-163.8148.424.9-135.5146.5-167.8174.10113.5
7D45.1Very low42.7Very low134 Ų134127.2 Ų127.272%0.71781%0.814SS**  trans-74164176.3-58.5-64.7000115.3
8A47.1Very low42.3Very low107 Ų107127.4 Ų127.488%0.88481%0.808SS**  trans-153.8108.9134.600000111.4
9V43.1Very low42Very low125 Ų125130 Ų13076%0.75881%0.808SS**  trans-81.2144.3168.41700000109.3
10S37.2Very low42.1Very low124 Ų124132.2 Ų132.287%0.86781%0.806SS**  trans-178112139.7-80.10000113.3
11D40.1Very low41.8Very low150 Ų150128.7 Ų128.780%0.80280%0.796SS**  trans-114.9155.4144.4-171.946.3000103.9
12P51.7Low41.6Very low119 Ų119129.2 Ų129.277%0.77378%0.776SS**  cis-145176.228.937.1-13000116.7
13G33.3Very low41.3Very low78 Ų78131.6 Ų131.680%0.80478%0.779SS**  trans-178.8108.5169.800000117.9
14V42.7Very low40.6Very low159 Ų159136.4 Ų136.496%0.96478%0.783SS**  trans-57.9147.7172.9150.20000115.8
15G33.6Very low41.1Very low66 Ų66137.2 Ų137.268%0.6879%0.789SS**  trans152.7106.1156.300000113
16S35.6Very low40.6Very low121 Ų121138.5 Ų138.585%0.84680%0.795SS**  92.2135.180.1-1770000114.7
17C31.1Very low40.9Very low117 Ų117136.3 Ų136.379%0.79179%0.791SS**  trans97.6101.8151.7-120.80000121.2
18D34.9Very low40.9Very low131 Ų131137 Ų13770%0.70179%0.794SS**  trans23.8130.9132.3-112.9-32.2000121.4
19E37.1Very low40.7Very low176 Ų176138 Ų13882%0.82278%0.781SS**  175.5165.7106-93.8-124.396.100113.3
20K43.5Very low40.7Very low174 Ų174137.8 Ų137.876%0.75778%0.782SS**  trans-80.6167.2-157.7-47.2-74.8178173.10115.9
21G35.8Very low41.4Very low58 Ų58137.2 Ų137.260%0.59877%0.769SS**  trans120.9109.5157.300000111.7
22L40.9Very low41.6Very low169 Ų169136.1 Ų136.189%0.88577%0.767SS**  -154.4120.156.5-74.2158.7000110
23E42.2Very low41.5Very low167 Ų167135.1 Ų135.178%0.7876%0.761SS**  trans-64.9125.5159.231.6-93.6126.400110.8
24Y40.4Very low42.1Very low227 Ų227141.4 Ų141.489%0.8976%0.761SS**  trans-127.485.8160.6-128.8-90.1000108.3
25E51.3Low42.3Very low180 Ų180137.2 Ų137.284%0.84175%0.749SS**  trans-103.5117.1165.5-176.4178.4-166.200107.4
26I40.6Very low43.1Very low145 Ų145138.1 Ų138.174%0.74475%0.745SS**  trans175.3125.1161.3-89.3146.4000104.2
27L51.2Low44.2Very low135 Ų135139.9 Ų139.971%0.70774%0.738SS**  cis-177.2136.31.7-168144.7000106.4
28L45.3Very low45.2Very low149 Ų149140.4 Ų140.478%0.7874%0.738SS**  trans62.2102.4163.7-8946.8000122.2
29E43.6Very low46.3Very low129 Ų129136.7 Ų136.760%0.60373%0.731SS**  41.9132.7108.6-132.2-112.9175.700120.7N31E29-N31 WeakPolarHBondContact OE1-CA 2.91Å; E29-N31 WeakPolarHBondContact OE1-CB 3.32Å; E29-N31 PolarHBondContact OE1-N 3.38Å; E29-N31 PolarHBondContact OE1-ND2 3.03Å
30P43.5Very low47.4Very low120 Ų120134.7 Ų134.778%0.77972%0.721SS**  -122.3133.28013.75.8000115T32P30-T32 PolarHBondContact O-N 2.64Å
31N50.6Low48.3Very low112 Ų112132.2 Ų132.260%0.59972%0.716SS**  trans-57.6128.1165.6-93.7-98.9000107.5E29E29-N31 WeakPolarHBondContact OE1-CA 2.91Å; E29-N31 WeakPolarHBondContact OE1-CB 3.32Å; E29-N31 PolarHBondContact OE1-N 3.38Å; E29-N31 PolarHBondContact OE1-ND2 3.03Å
32T45.2Very low49.9Very low126 Ų126134.4 Ų134.477%0.77371%0.713SS**  trans-105.3111.3140.741.40000106.7P30 W34P30-T32 PolarHBondContact O-N 2.64Å; T32-W34 PolarHBondContact O-N 2.69Å
33P48.5Very low51.7Low98 Ų98129.5 Ų129.564%0.63670%0.698SS**  trans-78.717.8-173.831.5-34.2000113.2
34W46.2Very low53.7Low210 Ų210127.6 Ų127.680%0.79569%0.687SS**  trans-113.187.6-174.4-61.495.4000109.2T32 S36T32-W34 PolarHBondContact O-N 2.69Å; W34-S36 PolarHBondContact O-N 3Å
35G48.3Very low55.4Low71 Ų71122.3 Ų122.373%0.73267%0.673SS**  trans-51.8112.7159.600000108K37G35-K37 PolarHBondContact O-N 3.11Å
36S49.9Very low56.9Low85 Ų85117.4 Ų117.459%0.59466%0.659SS**  trans-62.4103.9-178.4-48.80000108.2W34 T38W34-S36 PolarHBondContact O-N 3Å; S36-T38 PolarHBondContact O-N 2.9Å; S36-T38 VanDerWaalsContact O-N 3.11Å
37K57.4Low59.1Low158 Ų158115.4 Ų115.469%0.68765%0.649SS**  trans-62.4117.4169.6-67.5176.3-177.7169.60105.9G35 G39 E40G35-K37 PolarHBondContact O-N 3.11Å; K37-G39 PolarHBondContact O-N 3.02Å; K37-E40 PolarHBondContact O-N 2.68Å
38T52Low60.6Low129 Ų129114.8 Ų114.879%0.79164%0.641SS**THydrogen-bonded Turntrans-50.10.3-174.3-52.80000116.1S36S36-T38 PolarHBondContact O-N 2.9Å; S36-T38 VanDerWaalsContact O-N 3.11Å
39G58.5Low62.4Low53 Ų53112.4 Ų112.455%0.54663%0.629SS.*THydrogen-bonded Turntrans-95.6-20.3172.300000116.4K37K37-G39 PolarHBondContact O-N 3.02Å
40E60.7Low64.3Low133 Ų133113 Ų11362%0.62163%0.626SS**Hα-helixtrans-79.2-31.3-173.4-76.6174.5178.800113.5K37 N42 A43 F44K37-E40 PolarHBondContact O-N 2.68Å; E40-N42 PolarHBondContact O-N 2.63Å; E40-A43 PolarHBondContact O-N 2.82Å; E40-F44 PolarHBondContact O-N 2.89Å
41L61.8Low66.3Low123 Ų123111.1 Ų111.164%0.64461%0.612SS**Hα-helixtrans-63.5-31.8178.3-62.2175.7000112.1L45L41-L45 VanDerWaalsContact O-CB 3.28Å; L41-L45 WeakPolarHBondContact O-CB 3.25Å; L41-L45 PolarHBondContact O-N 3.42Å
42N70.8Confident68Low103 Ų103110.3 Ų110.355%0.55161%0.607SS**Hα-helixtrans-76.3-37.6-179.9-82.6-56.1000113.1E40 S46E40-N42 PolarHBondContact O-N 2.63Å; N42-S46 VanDerWaalsContact O-CB 3.23Å; N42-S46 WeakPolarHBondContact O-CB 3.28Å; N42-S46 PolarHBondContact O-N 3.26Å; N42-S46 PolarHBondContact O-OG 2.89Å
43A78Confident69.9Low67 Ų67108.9 Ų108.955%0.55459%0.592SS**Hα-helixtrans-68.5-44.5179.500000111.5E40 S46 L47E40-A43 PolarHBondContact O-N 2.82Å; A43-S46 PolarHBondContact O-N 3.08Å; A43-L47 WeakPolarHBondContact O-CB 3.31Å; A43-L47 PolarHBondContact O-N 3.36Å
44F83.4Confident71.6Confident126 Ų126108.5 Ų108.555%0.55358%0.584SS**Hα-helixtrans-66.9-40.2178.6-173.3-106.3000112.4E40 L47 K48E40-F44 PolarHBondContact O-N 2.89Å; F44-L47 PolarHBondContact O-N 2.89Å; F44-K48 HydrophobicContact CD1-CD 4.31Å; F44-K48 HydrophobicContact CE1-CD 3.83Å; F44-K48 HydrophobicContact CE1-CG 4.4Å; F44-K48 HydrophobicContact CZ-CD 4.27Å; F44-K48 VanDerWaalsContact CZ-CE 3.47Å; F44-K48 WeakPolarHBondContact O-CG 3.38Å; F44-K48 PolarHBondContact O-N 2.97Å
45L75.8Confident73.4Confident116 Ų116105 Ų10561%0.60757%0.574SS**Hα-helixtrans-68.1-39.4176.3-168.763.5000112L41 K48 N49L41-L45 VanDerWaalsContact O-CB 3.28Å; L41-L45 WeakPolarHBondContact O-CB 3.25Å; L41-L45 PolarHBondContact O-N 3.42Å; L45-K48 PolarHBondContact O-N 3.26Å; L45-N49 WeakPolarHBondContact O-CB 3.13Å; L45-N49 PolarHBondContact O-N 3.12Å
46S82.9Confident74.9Confident77 Ų77106.1 Ų106.154%0.53856%0.56SS.*Hα-helixtrans-63.2-41.7174.3-60.40000111.7N42 A43 N49 W50N42-S46 VanDerWaalsContact O-CB 3.23Å; N42-S46 WeakPolarHBondContact O-CB 3.28Å; N42-S46 PolarHBondContact O-N 3.26Å; N42-S46 PolarHBondContact O-OG 2.89Å; A43-S46 PolarHBondContact O-N 3.08Å; S46-N49 PolarHBondContact O-N 2.86Å; S46-W50 WeakPolarHBondContact O-CB 3.41Å; S46-W50 PolarHBondContact O-N 3.38Å
47L86.8Confident76.1Confident103 Ų103108.8 Ų108.854%0.53956%0.563SS.*Hα-helixtrans-62.8-45.1175.6-177.461.1000111.2A43 F44 N49 W50 T51A43-L47 WeakPolarHBondContact O-CB 3.31Å; A43-L47 PolarHBondContact O-N 3.36Å; F44-L47 PolarHBondContact O-N 2.89Å; L47-N49 VanDerWaalsContact C-N 3.31Å; L47-N49 PolarHBondContact O-N 3.34Å; L47-W50 PolarHBondContact O-N 2.94Å; L47-T51 PolarHBondContact O-N 3.16Å; L47-T51 PolarHBondContact O-OG1 2.88Å
48K83.1Confident77Confident123 Ų123104.4 Ų104.454%0.53555%0.553SS.*Hα-helixtrans-60.2-40.5175.1-79.7-167162.8-176.30112.6F44 L45 L52F44-K48 HydrophobicContact CD1-CD 4.31Å; F44-K48 HydrophobicContact CE1-CD 3.83Å; F44-K48 HydrophobicContact CE1-CG 4.4Å; F44-K48 HydrophobicContact CZ-CD 4.27Å; F44-K48 VanDerWaalsContact CZ-CE 3.47Å; F44-K48 WeakPolarHBondContact O-CG 3.38Å; F44-K48 PolarHBondContact O-N 2.97Å; L45-K48 PolarHBondContact O-N 3.26Å; K48-L52 PolarHBondContact O-N 2.88Å
49N84.1Confident77.6Confident98 Ų98103.3 Ų103.352%0.52454%0.542SS..Hα-helixtrans-65.9-44177.7-168.7-87.3000111.6L45 S46 L47 L52 Q53L45-N49 WeakPolarHBondContact O-CB 3.13Å; L45-N49 PolarHBondContact O-N 3.12Å; S46-N49 PolarHBondContact O-N 2.86Å; L47-N49 VanDerWaalsContact C-N 3.31Å; L47-N49 PolarHBondContact O-N 3.34Å; N49-L52 WeakPolarHBondContact O-CB 3.49Å; N49-L52 PolarHBondContact O-N 3.09Å; N49-Q53 PolarHBondContact O-N 3.5Å
50W82.6Confident77.5Confident143 Ų143108.2 Ų108.254%0.54255%0.548SS..Hα-helixtrans-62.2-45.1175.3178.9-111.5000112.7S46 L47 L52 Q53 L54S46-W50 WeakPolarHBondContact O-CB 3.41Å; S46-W50 PolarHBondContact O-N 3.38Å; L47-W50 PolarHBondContact O-N 2.94Å; W50-L52 VanDerWaalsContact C-N 3.27Å; W50-L52 PolarHBondContact O-N 3.36Å; W50-Q53 WeakPolarHBondContact O-CB 3.5Å; W50-Q53 PolarHBondContact O-N 3.18Å; W50-Q53 VanDerWaalsContact O-N 3.13Å; W50-L54 HydrophobicContact CD2-CG 4.42Å; W50-L54 HydrophobicContact CH2-CD2 4.43Å; W50-L54 HydrophobicContact CZ2-CD1 4.26Å; W50-L54 HydrophobicContact CZ2-CD2 3.92Å; W50-L54 HydrophobicContact CZ2-CG 4.14Å; W50-L54 VanDerWaalsContact NE1-CD1 3.35Å; W50-L54 PolarHBondContact O-N 3.4Å
51T85.5Confident77.3Confident80 Ų80106.4 Ų106.449%0.49155%0.55SS..Hα-helixtrans-59.2-39174.7-59.30000111.6L47 K55L47-T51 PolarHBondContact O-N 3.16Å; L47-T51 PolarHBondContact O-OG1 2.88Å; T51-K55 WeakPolarHBondContact O-CB 3.38Å; T51-K55 PolarHBondContact O-N 2.92Å
52L86.3Confident76.7Confident94 Ų94108 Ų10849%0.49255%0.554SS.*Hα-helixtrans-64.4-42.7174.9-179.364000111.7K48 N49 W50 K55 Q56K48-L52 PolarHBondContact O-N 2.88Å; N49-L52 WeakPolarHBondContact O-CB 3.49Å; N49-L52 PolarHBondContact O-N 3.09Å; W50-L52 VanDerWaalsContact C-N 3.27Å; W50-L52 PolarHBondContact O-N 3.36Å; L52-K55 PolarHBondContact O-N 2.9Å; L52-Q56 WeakPolarHBondContact O-CG 3.23Å; L52-Q56 PolarHBondContact O-N 3.42Å
53Q86.4Confident75.6Confident97 Ų97109.4 Ų109.445%0.45356%0.557SS.*Hα-helixtrans-61.8-45177.4-121.9171.63.500112.2N49 W50 K55 Q56 Q57N49-Q53 PolarHBondContact O-N 3.5Å; W50-Q53 WeakPolarHBondContact O-CB 3.5Å; W50-Q53 PolarHBondContact O-N 3.18Å; W50-Q53 VanDerWaalsContact O-N 3.13Å; Q53-K55 VanDerWaalsContact C-N 3.34Å; Q53-Q56 PolarHBondContact O-N 2.68Å; Q53-Q57 WeakPolarHBondContact O-CG 3.34Å; Q53-Q57 PolarHBondContact O-N 3.22Å
54L83.2Confident74.3Confident89 Ų89115.4 Ų115.447%0.46657%0.574SS.*Hα-helixtrans-64.3-39174.8-72.8179.9000112W50 Q57 S58W50-L54 HydrophobicContact CD2-CG 4.42Å; W50-L54 HydrophobicContact CH2-CD2 4.43Å; W50-L54 HydrophobicContact CZ2-CD1 4.26Å; W50-L54 HydrophobicContact CZ2-CD2 3.92Å; W50-L54 HydrophobicContact CZ2-CG 4.14Å; W50-L54 VanDerWaalsContact NE1-CD1 3.35Å; W50-L54 PolarHBondContact O-N 3.4Å; L54-Q57 PolarHBondContact O-N 3.3Å; L54-S58 WeakPolarHBondContact O-CB 3.35Å; L54-S58 PolarHBondContact O-N 2.87Å
55K83.6Confident72.9Confident137 Ų137117.6 Ų117.660%0.59659%0.586SS**Hα-helixtrans-65.9-39.9176.3-171169.7-179.1171.30111.6T51 L52 Q53 S58 L59T51-K55 WeakPolarHBondContact O-CB 3.38Å; T51-K55 PolarHBondContact O-N 2.92Å; L52-K55 PolarHBondContact O-N 2.9Å; Q53-K55 VanDerWaalsContact C-N 3.34Å; K55-S58 WeakPolarHBondContact O-CB 3.26Å; K55-S58 PolarHBondContact O-N 3.47Å; K55-L59 HydrophobicContact CG-CD1 4.37Å; K55-L59 VanDerWaalsContact O-CG 3.24Å; K55-L59 WeakPolarHBondContact O-CG 3.28Å; K55-L59 PolarHBondContact O-N 3.24Å
56Q81.3Confident71.4Confident95 Ų95121.9 Ų121.944%0.44460%0.596SS.*Hα-helixtrans-62.5-47.7172.8-74.8175.5-900111.2L52 Q53 S58 L59 F60L52-Q56 WeakPolarHBondContact O-CG 3.23Å; L52-Q56 PolarHBondContact O-N 3.42Å; Q53-Q56 PolarHBondContact O-N 2.68Å; Q56-S58 VanDerWaalsContact C-N 3.29Å; Q56-S58 PolarHBondContact O-N 3.38Å; Q56-L59 PolarHBondContact O-N 2.95Å; Q56-L59 VanDerWaalsContact O-N 3.15Å; Q56-F60 HydrophobicContact CB-CE2 4.48Å; Q56-F60 WeakPolarHBondContact O-CD2 3.48Å; Q56-F60 PolarHBondContact O-N 3.31Å
57Q75.2Confident69.8Low140 Ų140124 Ų12465%0.65461%0.606SS**Hα-helixtrans-57.9-40.8174.7-74.1-85.2-34.600112.1Q53 L54 F60 S61Q53-Q57 WeakPolarHBondContact O-CG 3.34Å; Q53-Q57 PolarHBondContact O-N 3.22Å; L54-Q57 PolarHBondContact O-N 3.3Å; Q57-F60 PolarHBondContact O-N 2.98Å; Q57-S61 WeakPolarHBondContact O-CB 3.38Å; Q57-S61 PolarHBondContact O-N 3.24Å
58S75.4Confident68.1Low66 Ų66125 Ų12546%0.46262%0.615SS.*Hα-helixtrans-63.3-43.4175.1-169.60000111.9L54 K55 Q56 F60 S61 E62L54-S58 WeakPolarHBondContact O-CB 3.35Å; L54-S58 PolarHBondContact O-N 2.87Å; K55-S58 WeakPolarHBondContact O-CB 3.26Å; K55-S58 PolarHBondContact O-N 3.47Å; Q56-S58 VanDerWaalsContact C-N 3.29Å; Q56-S58 PolarHBondContact O-N 3.38Å; S58-F60 VanDerWaalsContact C-N 3.32Å; S58-F60 PolarHBondContact O-N 3.27Å; S58-S61 PolarHBondContact O-N 2.85Å; S58-S61 VanDerWaalsContact O-N 3.12Å; S58-E62 PolarHBondContact O-N 3Å
59L64.3Low66.8Low107 Ų107122.5 Ų122.556%0.5663%0.625SS**Hα-helixtrans-65.9-32.8177.6-70.8168.5000112.5K55 Q56K55-L59 HydrophobicContact CG-CD1 4.37Å; K55-L59 VanDerWaalsContact O-CG 3.24Å; K55-L59 WeakPolarHBondContact O-CG 3.28Å; K55-L59 PolarHBondContact O-N 3.24Å; Q56-L59 PolarHBondContact O-N 2.95Å; Q56-L59 VanDerWaalsContact O-N 3.15Å
60F56.4Low65.1Low156 Ų156122.3 Ų122.368%0.68463%0.631SS**Hα-helixtrans-81.3-13.3172.6-70.9-66.1000113.6Q56 Q57 S58Q56-F60 HydrophobicContact CB-CE2 4.48Å; Q56-F60 WeakPolarHBondContact O-CD2 3.48Å; Q56-F60 PolarHBondContact O-N 3.31Å; Q57-F60 PolarHBondContact O-N 2.98Å; S58-F60 VanDerWaalsContact C-N 3.32Å; S58-F60 PolarHBondContact O-N 3.27Å
61S56.8Low63.7Low94 Ų94124.8 Ų124.866%0.65765%0.649SS**Hα-helixtrans-95.8-13.9-177.9-173.40000113.4Q57 S58Q57-S61 WeakPolarHBondContact O-CB 3.38Å; Q57-S61 PolarHBondContact O-N 3.24Å; S58-S61 PolarHBondContact O-N 2.85Å; S58-S61 VanDerWaalsContact O-N 3.12Å
62E49.5Very low61.8Low157 Ų157126.1 Ų126.173%0.73466%0.657SS**THydrogen-bonded Turntrans-87.8-3.3-173.9-163.2167.3163.300113.7S58S58-E62 PolarHBondContact O-N 3Å
63E47.3Very low59.8Low132 Ų132127.2 Ų127.262%0.61767%0.667SS**THydrogen-bonded Turntrans-111.211.4-176.366.6-166.2-173.800116.2E65E63-E65 VanDerWaalsContact C-N 3.32Å; E63-E65 PolarHBondContact O-N 3.41Å
64E50.8Low58.5Low193 Ų193132 Ų13290%0.90269%0.69SS**  trans-9629.1171.8-152.4157.4-153.200113.5
65E54.4Low57.6Low173 Ų173134.7 Ų134.781%0.80870%0.704SS**  trans-10260.1160.2-160.4165.2-154.100110E63 T67E63-E65 VanDerWaalsContact C-N 3.32Å; E63-E65 PolarHBondContact O-N 3.41Å; E65-T67 VanDerWaalsContact C-N 3.35Å; E65-T67 PolarHBondContact O-N 3.44Å
66Y43.8Very low56.5Low206 Ų206137.2 Ų137.281%0.80872%0.718SS**  trans-83.287.4159.6-90.2-88.7000108.9T68Y66-T68 PolarHBondContact O-N 2.95Å; Y66-T68 VanDerWaalsContact O-N 3.1Å
67T49Very low54.9Low122 Ų122138.6 Ų138.675%0.74873%0.733SS**  trans-62.9102.7152.81.60000107.9E65E65-T67 VanDerWaalsContact C-N 3.35Å; E65-T67 PolarHBondContact O-N 3.44Å
68T51.4Low53.6Low122 Ų122134.4 Ų134.475%0.74873%0.728SS**  trans-113.193143-51.30000106.4Y66 S70Y66-T68 PolarHBondContact O-N 2.95Å; Y66-T68 VanDerWaalsContact O-N 3.1Å; T68-S70 PolarHBondContact O-N 3.46Å
69G56.3Low52.6Low71 Ų71138.7 Ų138.773%0.73275%0.746SS**  trans-58.1127.1161.200000109.1
70S47.3Very low52Low94 Ų94141.8 Ų141.866%0.65776%0.757SS**  trans-144.987.1158-160.40000107T68 V72T68-S70 PolarHBondContact O-N 3.46Å; S70-V72 PolarHBondContact O-N 3.2Å; S70-V72 VanDerWaalsContact OG-CG2 3.22Å; S70-V72 WeakPolarHBondContact OG-CG2 3.46Å
71E53.7Low51.5Low196 Ų196142 Ų14292%0.91676%0.76SS**  trans-57.5106.4149.4171.3-172.9127.600106.9
72V45.7Very low51.1Low108 Ų108146.5 Ų146.566%0.65577%0.771SS**  trans-133.698.6167.5174.90000107.2S70S70-V72 PolarHBondContact O-N 3.2Å; S70-V72 VanDerWaalsContact OG-CG2 3.22Å; S70-V72 WeakPolarHBondContact OG-CG2 3.46Å
73T43.5Very low50.5Low116 Ų116144.4 Ų144.471%0.71276%0.763SS**  trans14.8131150.258.40000119.5D75T73-D75 PolarHBondContact O-N 3.24Å
74E60.2Low50.3Low199 Ų199143.1 Ų143.193%0.9378%0.776SS**  trans-15.2115.7147.3-55.2-179.5149.100114.1
75D63.8Low49.9Very low144 Ų144142.5 Ų142.577%0.7777%0.77SS**  trans-141.2113151.2-165.129000108.7T73 V77T73-D75 PolarHBondContact O-N 3.24Å; D75-V77 PolarHBondContact O-N 2.94Å
76E60.2Low49.5Very low190 Ų190144.1 Ų144.189%0.88877%0.774SS**  trans-82.8104.6179.4-170.1-178.5-172.600107.2
77V49Very low49.2Very low124 Ų124143.6 Ų143.675%0.75278%0.779SS**  trans-134.198.6170-166.60000111D75D75-V77 PolarHBondContact O-N 2.94Å
78G47.9Very low48.8Very low53 Ų53149.3 Ų149.355%0.54679%0.787SS.*  trans92.378.7130.600000116.9E80G78-E80 PolarHBondContact O-N 2.99Å
79D53.6Low48.1Very low156 Ų156153.5 Ų153.583%0.83480%0.795SS**  trans-64.4107.6144.5172.727.3000108.8
80E50.9Low47.4Very low171 Ų171159.8 Ų159.880%0.79980%0.802SS**  trans-154.696.716124.6-150.9144.400110.7G78G78-E80 PolarHBondContact O-N 2.99Å
81E46.9Very low46.9Very low162 Ų162164.6 Ų164.676%0.75781%0.814SS**  175.588.8108.7-167.9172.6-167.100111.3I83E81-I83 HydrophobicContact CG-CG1 4.08Å
82E48Very low46.3Very low187 Ų187164.7 Ų164.787%0.87481%0.812SS**  trans-99.994153.1-91.6-116.9159.700109
83I38Very low46.5Very low113 Ų113165.3 Ų165.358%0.57982%0.818SS**  trans-137.968.6157.155.7158.8000112.7E81 K85E81-I83 HydrophobicContact CG-CG1 4.08Å; I83-K85 PolarHBondContact O-N 3.07Å
84A41.2Very low46.5Very low106 Ų106169.8 Ų169.888%0.87683%0.827SS**  trans-7075157.700000110.7
85K42.3Very low45.4Very low180 Ų180168.8 Ų168.878%0.78382%0.82SS**  trans-99103.7172.6-78.9-179.9-179.91690111.5I83 Q87I83-K85 PolarHBondContact O-N 3.07Å; K85-Q87 PolarHBondContact O-N 3.32Å
86K46.3Very low44.3Very low207 Ų207169.6 Ų169.690%0.982%0.817SS**  trans-36.7122.4156.1-79171.7172169.10111.7
87Q39Very low43.2Very low195 Ų195167.6 Ų167.691%0.91182%0.818SS**  trans-142.9129.7143-80.2-140-30.300112K85K85-Q87 PolarHBondContact O-N 3.32Å
88R40.6Very low43.2Very low242 Ų242170.5 Ų170.591%0.91382%0.82SS**  trans-72.7140.1166.6-76.7175.4163.5-167.2-2.9109.5
89K35.8Very low43.2Very low210 Ų210173.2 Ų173.291%0.91383%0.829SS**  175.2154.9117.1-101.4-177.9176.1-177.40112.2
90K41.5Very low42.7Very low202 Ų202172.2 Ų172.288%0.87883%0.83SS**  trans-72.1147.3-173.4-62.9-161.5172.5-169.10114
91E37.3Very low42.2Very low196 Ų196173.4 Ų173.492%0.91683%0.833SS**  trans-152.1159.8137.4-136.7-176.6151.200112.4
92K41.7Very low42Very low198 Ų198174.6 Ų174.686%0.86184%0.836SS**  trans-86.7170.9-155.3-86.9-165.8-179.3-177.70115.2
93P49.6Very low41.6Very low121 Ų121173 Ų17379%0.78683%0.828SS**  trans-92.5150.4-163.336-31.9000113.8
94K41.8Very low41.6Very low209 Ų209174.9 Ų174.991%0.90984%0.839SS**  trans-141.188.2170.7-143.6168.7-175.9176.80112.7
95K38.7Very low41.5Very low178 Ų178175.6 Ų175.677%0.77484%0.837SS**  trans29.5126.6134.1-77-177.7-178.6-1780121.9
96F39.5Very low41.3Very low161 Ų161172.9 Ų172.971%0.70684%0.841SS**  trans70.1107.9137.8-66.4-64.6000121.6
97T38.3Very low41Very low149 Ų149168.6 Ų168.691%0.91483%0.834SS**  -148.3129.2125.76.50000109.5
98K48.8Very low40.7Very low184 Ų184164.9 Ų164.980%0.883%0.829SS**  trans-75.3157.9-177.6-73.8178.1178.9175.50111.8
99P46.8Very low40.6Very low111 Ų111157.8 Ų157.872%0.72182%0.816SS**  trans-91.4156.9-173.836.5-34.9000113.5K101P99-K101 PolarHBondContact O-N 3.21Å
100P42.9Very low40.9Very low134 Ų134156.4 Ų156.487%0.8781%0.813SS**  trans-86108.8155.530.6-25.8000110.6
101K41.5Very low40.8Very low196 Ų196157 Ų15785%0.85282%0.816SS**  trans-44.4129165.2-166.9174.1-173.3172.50113.5P99P99-K101 PolarHBondContact O-N 3.21Å
102K41.8Very low41.2Very low188 Ų188157.5 Ų157.582%0.81782%0.815SS**  trans166.9134.2148.5-91.2163.7-169.4-172.60105.9
103Q39.3Very low41.1Very low153 Ų153156.7 Ų156.772%0.71581%0.814SS**  cis-173.3136.6-12-127-179.1-66.200103.1
104L39Very low40.9Very low153 Ų153159.9 Ų159.980%0.80182%0.816SS**  trans59.791.4154.7-50.8171.4000118.5
105S40Very low41.1Very low121 Ų121156.4 Ų156.485%0.84681%0.812SS**  trans-147.3108.6130.357.90000109.3
106S36.8Very low41Very low123 Ų123156 Ų15686%0.8682%0.818SS**  trans-74.9142.2174.6-75.80000110.3
107P40.2Very low41Very low116 Ų116156 Ų15675%0.75382%0.819SS**  trans-95.2156-177.538.1-33.6000112.8
108C31.9Very low41.9Very low118 Ų118158.2 Ų158.280%0.79782%0.817SS**  trans65.8132.7137.8-149.60000121.3
109S40Very low41.6Very low93 Ų93155.1 Ų155.165%0.6582%0.818SS**  trans-5.8137.5160.761.20000119.8
110Q41.8Very low41.7Very low181 Ų181156.3 Ų156.385%0.84682%0.823SS**  167.8124.9114.4-91.1179-11.100109.7
111K39.9Very low41.6Very low215 Ų215154.6 Ų154.694%0.93582%0.815SS**  trans-165.4131.5133.1-105.3169.3-174.2-170.90111.1
112K45.9Very low42.2Very low205 Ų205156.5 Ų156.589%0.89182%0.817SS**  trans-89125.9-177.4-168.6-171.7-170.5-175.10107.1
113E38.6Very low42.2Very low182 Ų182153 Ų15385%0.8581%0.807SS**  trans-136.799.6166.1-161.4167.5172.100111.7
114K44.6Very low42.8Very low188 Ų188152.1 Ų152.182%0.81781%0.811SS**  trans18.9131.7143.2-47-179.4-173.8177.20120.7
115T47.7Very low43.6Very low136 Ų136146.5 Ų146.583%0.83479%0.785SS**  trans5122.5142.5-44.30000118.4
116L35.3Very low44.3Very low170 Ų170144.1 Ų144.189%0.8977%0.766SS**  trans-151.2130.6145.5-17259.3000110.9
117E39.5Very low45.2Very low159 Ų159142.8 Ų142.874%0.74375%0.745SS**  trans-67.3149.4178.6-61.5-149137.700113.6
118K58.5Low46.1Very low197 Ų197141.9 Ų141.986%0.85774%0.737SS**  trans43.799.4139.5-156.2152.8179.3175.30116.8
119S41.6Very low47.2Very low119 Ų119141.2 Ų141.283%0.83273%0.729SS**  trans-124.7113.7150.9-17.50000109S121S119-S121 PolarHBondContact O-N 3.23Å
120T48.3Very low48Very low136 Ų136138.8 Ų138.883%0.83471%0.713SS**  trans-56120.4163.8137.60000109.5
121S41.6Very low48.5Very low98 Ų98138.3 Ų138.369%0.68571%0.713SS**  trans-156.1109.2143.6178.60000106.5S119 D123S119-S121 PolarHBondContact O-N 3.23Å; S121-D123 PolarHBondContact O-N 3.1Å
122R53.7Low49.3Very low236 Ų236135.1 Ų135.189%0.89170%0.701SS**  trans-62.190.3158.5-80.3174.5172.4169.8-3.3105.5V124R122-V124 HydrophobicContact CB-CG2 4.3Å; R122-V124 PolarHBondContact O-N 3Å
123D42.8Very low49.9Very low115 Ų115132.6 Ų132.662%0.61569%0.69SS**  trans-68.397.4161.8-16931.2000105.4S121 S125S121-D123 PolarHBondContact O-N 3.1Å; D123-S125 PolarHBondContact O-N 3.35Å; D123-S125 WeakPolarHBondContact OD2-CB 3.4Å
124V51.3Low51.2Low133 Ų133129.1 Ų129.181%0.80668%0.677SS**  trans-75.750.5170.3-172.40000107.3R122R122-V124 HydrophobicContact CB-CG2 4.3Å; R122-V124 PolarHBondContact O-N 3Å
125S55.6Low52.3Low36 Ų36127.5 Ų127.525%0.25267%0.67SS.*  trans-86.7117.2161.1178.90000105.5D123 F127 V128D123-S125 PolarHBondContact O-N 3.35Å; D123-S125 WeakPolarHBondContact OD2-CB 3.4Å; S125-F127 CarbonylContact O-C 3.44Å; S125-F127 PolarHBondContact O-N 3.29Å; S125-F127 VanDerWaalsContact OG-C 3.28Å; S125-F127 PolarHBondContact OG-N 3.43Å; S125-F127 PolarHBondContact OG-O 3.27Å; S125-V128 PolarHBondContact O-N 3.1Å
126P56Low54.1Low70 Ų70127.2 Ų127.246%0.45565%0.654SS.*SBendtrans-62-8.7171.428.2-34000112H163P126-H163 VanDerWaalsContact CB-CD2 3.48Å; P126-H163 WeakPolarHBondContact CB-CD2 3.37Å; P126-H163 VanDerWaalsContact CB-NE2 3.31Å; P126-H163 WeakPolarHBondContact CB-NE2 3.48Å
127F54.8Low56.5Low95 Ų95121.8 Ų121.842%0.41763%0.626SS.*  trans-108.476.6165.3-46.7-68.8000108.1S125 V129 I160S125-F127 CarbonylContact O-C 3.44Å; S125-F127 PolarHBondContact O-N 3.29Å; S125-F127 VanDerWaalsContact OG-C 3.28Å; S125-F127 PolarHBondContact OG-N 3.43Å; S125-F127 PolarHBondContact OG-O 3.27Å; F127-V129 PolarHBondContact O-N 3.01Å; F127-I160 HydrophobicContact CD1-CD1 3.81Å; F127-I160 HydrophobicContact CD1-CG1 3.93Å; F127-I160 HydrophobicContact CE1-CB 3.81Å; F127-I160 HydrophobicContact CE1-CD1 3.36Å; F127-I160 HydrophobicContact CE1-CG1 3.38Å; F127-I160 HydrophobicContact CE1-CG2 3.69Å; F127-I160 HydrophobicContact CZ-CD1 4.17Å; F127-I160 HydrophobicContact CZ-CG1 4.39Å; F127-I160 HydrophobicContact CZ-CG2 3.91Å
128V59.7Low58.9Low97 Ų97118.7 Ų118.759%0.58863%0.627SS**  trans-63.395146.9178.60000102.9S125 S130S125-V128 PolarHBondContact O-N 3.1Å; V128-S130 VanDerWaalsContact C-N 3.25Å; V128-S130 PolarHBondContact O-N 3.07Å
129V54.9Low60.5Low104 Ų104114.2 Ų114.263%0.6362%0.621SS**  trans-47.5109.5160.2176.80000102.2F127 M131F127-V129 PolarHBondContact O-N 3.01Å; V129-M131 WeakPolarHBondContact O-CG 3.5Å; V129-M131 PolarHBondContact O-N 3.06Å
130S57.1Low63Low43 Ų43115.6 Ų115.630%0.30161%0.608SS.*  trans-53.9103.7-171.852.10000104.6V128 Q132V128-S130 VanDerWaalsContact C-N 3.25Å; V128-S130 PolarHBondContact O-N 3.07Å; S130-Q132 CarbonylContact O-C 3.49Å; S130-Q132 PolarHBondContact O-N 3.43Å
131M50.7Low65.1Low171 Ų171112.6 Ų112.684%0.84259%0.592SS**  trans-70.119.2174.4-67.2-71.1-79.800108.7V129 K133V129-M131 WeakPolarHBondContact O-CG 3.5Å; V129-M131 PolarHBondContact O-N 3.06Å; M131-K133 PolarHBondContact O-N 2.93Å
132Q57.6Low67.6Low147 Ų147113 Ų11369%0.68759%0.586SS**SBendtrans-5677.6144.2-173.3171.9-31.300107.9S130 N134S130-Q132 CarbonylContact O-C 3.49Å; S130-Q132 PolarHBondContact O-N 3.43Å; Q132-N134 VanDerWaalsContact C-N 3.32Å; Q132-N134 PolarHBondContact O-N 3.36Å
133K58.7Low69.6Low153 Ų153110.7 Ų110.767%0.66558%0.578SS**  trans-6.789.3147.839.9176.9154.2-177.80110.7M131 K135M131-K133 PolarHBondContact O-N 2.93Å; K133-K135 HydrophobicContact CB-CD 3.99Å; K133-K135 HydrophobicContact CB-CG 4.03Å; K133-K135 HydrophobicContact CD-CG 4.44Å; K133-K135 HydrophobicContact CG-CG 4.46Å; K133-K135 PolarHBondContact O-N 3.25Å
134N65.6Low72Confident109 Ų109110 Ų11058%0.58357%0.569SS**  trans-68.487.6170-172.527000105Q132 W136Q132-N134 VanDerWaalsContact C-N 3.32Å; Q132-N134 PolarHBondContact O-N 3.36Å; N134-W136 VanDerWaalsContact C-N 3.35Å; N134-W136 PolarHBondContact O-N 2.94Å
135K68.3Low74Confident153 Ų153104.2 Ų104.267%0.66553%0.534SS*.  trans-8496.4177.2-65.6-46.4-170-166.80103.6K133 D137K133-K135 HydrophobicContact CB-CD 3.99Å; K133-K135 HydrophobicContact CB-CG 4.03Å; K133-K135 HydrophobicContact CD-CG 4.44Å; K133-K135 HydrophobicContact CG-CG 4.46Å; K133-K135 PolarHBondContact O-N 3.25Å; K135-D137 PolarHBondContact O-N 3.15Å
136W84.1Confident75.8Confident130 Ų130106.9 Ų106.949%0.49254%0.542SS..  trans-41.4115.7156.6-176.3-88.1000108.1N134 A138 L142 N145N134-W136 VanDerWaalsContact C-N 3.35Å; N134-W136 PolarHBondContact O-N 2.94Å; W136-A138 PolarHBondContact O-N 3.42Å; W136-L142 HydrophobicContact CH2-CD1 3.41Å; W136-L142 VanDerWaalsContact CH2-CD1 3.41Å; W136-L142 HydrophobicContact CZ2-CD1 3.48Å; W136-L142 VanDerWaalsContact CZ2-CD1 3.48Å; W136-N145 HydrophobicContact CD2-CB 3.96Å; W136-N145 HydrophobicContact CE3-CB 3.66Å; W136-N145 HydrophobicContact CH2-CB 3.63Å; W136-N145 HydrophobicContact CZ2-CB 3.89Å; W136-N145 HydrophobicContact CZ3-CB 3.49Å; W136-N145 VanDerWaalsContact CZ3-CB 3.49Å
137D86.3Confident77.6Confident56 Ų56106.1 Ų106.130%0.29953%0.534SS..  trans-9098.5-176.6-170.2-15.3000108.1K135 S139 R140 N145K135-D137 PolarHBondContact O-N 3.15Å; D137-S139 PolarHBondContact O-N 2.92Å; D137-S139 WeakPolarHBondContact OD1-CA 3.34Å; D137-S139 VanDerWaalsContact OD1-CB 3.31Å; D137-S139 WeakPolarHBondContact OD1-CB 3.48Å; D137-S139 PolarHBondContact OD1-N 3.42Å; D137-S139 PolarHBondContact OD1-OG 2.92Å; D137-S139 PolarHBondContact OD2-OG 2.91Å; D137-R140 HydrophobicContact CB-CB 4.01Å; D137-R140 HydrophobicContact CB-CG 3.73Å; D137-R140 PolarHBondContact O-N 3.33Å; D137-R140 WeakPolarHBondContact OD2-CG 3.39Å; D137-R140 IonicContact OD2-NE 3.89Å; D137-N145 PolarHBondContact N-OD1 2.64Å; D137-N145 PolarHBondContact O-ND2 2.95Å
138A89.6Confident79.3Confident94 Ų94103.2 Ų103.278%0.77753%0.528SS*.THydrogen-bonded Turntrans-65.5-13.6177.700000113.2W136W136-A138 PolarHBondContact O-N 3.42Å
139S93.4Very high80.8Confident103 Ų103103.8 Ų103.872%0.7252%0.524SS*.THydrogen-bonded Turntrans-86.6-9.4173.376.50000113.2D137D137-S139 PolarHBondContact O-N 2.92Å; D137-S139 WeakPolarHBondContact OD1-CA 3.34Å; D137-S139 VanDerWaalsContact OD1-CB 3.31Å; D137-S139 WeakPolarHBondContact OD1-CB 3.48Å; D137-S139 PolarHBondContact OD1-N 3.42Å; D137-S139 PolarHBondContact OD1-OG 2.92Å; D137-S139 PolarHBondContact OD2-OG 2.91Å
140R92.3Very high82.6Confident149 Ų149105.5 Ų105.556%0.56252%0.519SS*.SBendtrans-103.7164.3178.3-62.9-76.1-178.1176.42.4111D137 F144D137-R140 HydrophobicContact CB-CB 4.01Å; D137-R140 HydrophobicContact CB-CG 3.73Å; D137-R140 PolarHBondContact O-N 3.33Å; D137-R140 WeakPolarHBondContact OD2-CG 3.39Å; D137-R140 IonicContact OD2-NE 3.89Å; R140-F144 HydrophobicContact CB-CB 4.28Å; R140-F144 HydrophobicContact CB-CD1 3.59Å; R140-F144 HydrophobicContact CB-CE1 4.28Å; R140-F144 HydrophobicContact CB-CG 4.14Å; R140-F144 HydrophobicContact CG-CD1 3.8Å; R140-F144 HydrophobicContact CG-CE1 3.98Å
141S94.1Very high84.3Confident72 Ų72109.6 Ų109.650%0.50353%0.534SS..  trans-66.1154177.470.20000111.7R143 F144 N145S141-R143 PolarHBondContact O-N 2.89Å; S141-F144 WeakPolarHBondContact O-CB 3.38Å; S141-F144 PolarHBondContact O-N 3.07Å; S141-F144 WeakPolarHBondContact OG-CB 3.41Å; S141-F144 PolarHBondContact OG-N 3.45Å; S141-N145 PolarHBondContact O-N 3.47Å; S141-N145 PolarHBondContact O-ND2 2.84Å; S141-N145 VanDerWaalsContact O-ND2 3.16Å
142L93.9Very high86.2Confident107 Ų107103.4 Ų103.456%0.5650%0.504SS*.Hα-helixtrans-56.1-42.4174.2177.162.6000111.5W136 F144 N145 Q146W136-L142 HydrophobicContact CH2-CD1 3.41Å; W136-L142 VanDerWaalsContact CH2-CD1 3.41Å; W136-L142 HydrophobicContact CZ2-CD1 3.48Å; W136-L142 VanDerWaalsContact CZ2-CD1 3.48Å; L142-F144 PolarHBondContact O-N 2.99Å; L142-N145 PolarHBondContact O-N 2.83Å; L142-Q146 WeakPolarHBondContact O-CG 3.49Å; L142-Q146 PolarHBondContact O-N 3.32Å
143R95.4Very high87.9Confident188 Ų18899.2 Ų99.271%0.70949%0.487SS*.Hα-helixtrans-58.2-47.6176.8-179.1175.6177.3176.72.7111.6S141 N145 Q146 D147S141-R143 PolarHBondContact O-N 2.89Å; R143-N145 VanDerWaalsContact C-N 3.33Å; R143-N145 PolarHBondContact O-N 3.46Å; R143-Q146 PolarHBondContact O-N 2.78Å; R143-D147 IonicContact NE-OD2 3.78Å; R143-D147 PolarHBondContact O-N 3.28Å
144F93.1Very high89.5Confident100 Ų10097.4 Ų97.444%0.43948%0.481SS..Hα-helixtrans-58-44.8178.2178.1-91.1000112.2R140 S141 L142 Q146 D147 A148R140-F144 HydrophobicContact CB-CB 4.28Å; R140-F144 HydrophobicContact CB-CD1 3.59Å; R140-F144 HydrophobicContact CB-CE1 4.28Å; R140-F144 HydrophobicContact CB-CG 4.14Å; R140-F144 HydrophobicContact CG-CD1 3.8Å; R140-F144 HydrophobicContact CG-CE1 3.98Å; S141-F144 WeakPolarHBondContact O-CB 3.38Å; S141-F144 PolarHBondContact O-N 3.07Å; S141-F144 WeakPolarHBondContact OG-CB 3.41Å; S141-F144 PolarHBondContact OG-N 3.45Å; L142-F144 PolarHBondContact O-N 2.99Å; F144-Q146 VanDerWaalsContact C-N 3.34Å; F144-Q146 PolarHBondContact O-N 2.79Å; F144-D147 PolarHBondContact O-N 3.46Å; F144-A148 WeakPolarHBondContact O-CB 3.29Å; F144-A148 PolarHBondContact O-N 2.99Å
145N93.4Very high90.8Very high12 Ų1299.2 Ų99.26%0.06448%0.479CS..Hα-helixtrans-66.1-35.9179-75.1-64.7000112.7W136 D137 S141 L142 R143 Q149W136-N145 HydrophobicContact CD2-CB 3.96Å; W136-N145 HydrophobicContact CE3-CB 3.66Å; W136-N145 HydrophobicContact CH2-CB 3.63Å; W136-N145 HydrophobicContact CZ2-CB 3.89Å; W136-N145 HydrophobicContact CZ3-CB 3.49Å; W136-N145 VanDerWaalsContact CZ3-CB 3.49Å; D137-N145 PolarHBondContact N-OD1 2.64Å; D137-N145 PolarHBondContact O-ND2 2.95Å; S141-N145 PolarHBondContact O-N 3.47Å; S141-N145 PolarHBondContact O-ND2 2.84Å; S141-N145 VanDerWaalsContact O-ND2 3.16Å; L142-N145 PolarHBondContact O-N 2.83Å; R143-N145 VanDerWaalsContact C-N 3.33Å; R143-N145 PolarHBondContact O-N 3.46Å; N145-Q149 PolarHBondContact O-N 3.35Å; N145-Q149 VanDerWaalsContact O-N 3.1Å
146Q93.9Very high91.9Very high91 Ų9196 Ų9643%0.42546%0.463SS..Hα-helixtrans-66.5-42.6173.7-69.6177.821.300111.8L142 R143 F144 Q149 R150L142-Q146 WeakPolarHBondContact O-CG 3.49Å; L142-Q146 PolarHBondContact O-N 3.32Å; R143-Q146 PolarHBondContact O-N 2.78Å; F144-Q146 VanDerWaalsContact C-N 3.34Å; F144-Q146 PolarHBondContact O-N 2.79Å; Q146-Q149 PolarHBondContact O-N 3.25Å; Q146-R150 PolarHBondContact O-N 3.32Å
147D92.8Very high92.5Very high54 Ų5494 Ų9429%0.28946%0.46SS..Hα-helixtrans-65.2-43.3178.3-68.1-20.6000110.9R143 F144 Q149 R150 E151R143-D147 IonicContact NE-OD2 3.78Å; R143-D147 PolarHBondContact O-N 3.28Å; F144-D147 PolarHBondContact O-N 3.46Å; D147-Q149 VanDerWaalsContact C-N 3.28Å; D147-Q149 PolarHBondContact O-N 2.86Å; D147-R150 PolarHBondContact O-N 2.75Å; D147-R150 VanDerWaalsContact O-N 3.12Å; D147-R150 IonicContact OD1-CZ 3.23Å; D147-R150 IonicContact OD1-NH1 2.78Å; D147-R150 PolarHBondContact OD1-NH1 3.46Å; D147-E151 PolarHBondContact O-N 3.48Å
148A90.2Very high92.7Very high35 Ų3595.1 Ų95.129%0.28947%0.472SS..Hα-helixtrans-58.6-39.1173.600000112.6F144 D152F144-A148 WeakPolarHBondContact O-CB 3.29Å; F144-A148 PolarHBondContact O-N 2.99Å; A148-D152 WeakPolarHBondContact O-CB 3.43Å; A148-D152 PolarHBondContact O-N 3.41Å
149Q91.9Very high92.8Very high109 Ų10996.1 Ų96.151%0.50946%0.461SS..Hα-helixtrans-68.2-40.1175.5-176.6177.8-24.700112.1N145 Q146 D147 D152 D153N145-Q149 PolarHBondContact O-N 3.35Å; N145-Q149 VanDerWaalsContact O-N 3.1Å; Q146-Q149 PolarHBondContact O-N 3.25Å; D147-Q149 VanDerWaalsContact C-N 3.28Å; D147-Q149 PolarHBondContact O-N 2.86Å; Q149-D152 PolarHBondContact O-N 3.3Å; Q149-D153 WeakPolarHBondContact O-CB 3.44Å; Q149-D153 PolarHBondContact O-N 3.31Å
150R93.3Very high92.8Very high139 Ų13993.5 Ų93.553%0.52544%0.438SS..Hα-helixtrans-63.4-43.6176.8-170.7-178.2-64.196-2.3110.9Q146 D147 D153 Q154Q146-R150 PolarHBondContact O-N 3.32Å; D147-R150 PolarHBondContact O-N 2.75Å; D147-R150 VanDerWaalsContact O-N 3.12Å; D147-R150 IonicContact OD1-CZ 3.23Å; D147-R150 IonicContact OD1-NH1 2.78Å; D147-R150 PolarHBondContact OD1-NH1 3.46Å; R150-D153 PolarHBondContact O-N 2.98Å; R150-Q154 VanDerWaalsContact O-CG 3.27Å; R150-Q154 WeakPolarHBondContact O-CG 3.41Å; R150-Q154 PolarHBondContact O-N 2.78Å
151E92.1Very high92.9Very high130 Ų13089.6 Ų89.661%0.60743%0.431SS*.Hα-helixtrans-64.3-42.8177.2-73.3-174.8-172.100112.7D147 D153 Q154 R155D147-E151 PolarHBondContact O-N 3.48Å; E151-D153 VanDerWaalsContact C-N 3.34Å; E151-Q154 PolarHBondContact O-N 3.43Å; E151-R155 WeakPolarHBondContact O-CB 3.45Å; E151-R155 PolarHBondContact O-N 2.81Å
152D91Very high92.8Very high41 Ų4187.8 Ų87.822%0.21942%0.424CS..Hα-helixtrans-62.5-42.1176.3-177.574.8000111.6A148 Q149 Q154 R155 R156A148-D152 WeakPolarHBondContact O-CB 3.43Å; A148-D152 PolarHBondContact O-N 3.41Å; Q149-D152 PolarHBondContact O-N 3.3Å; D152-Q154 PolarHBondContact O-N 3.05Å; D152-R155 WeakPolarHBondContact O-CB 3.5Å; D152-R155 PolarHBondContact O-N 2.89Å; D152-R156 WeakPolarHBondContact O-CB 3.38Å; D152-R156 PolarHBondContact O-N 3.37Å; D152-R156 IonicContact OD2-NH1 2.83Å
153D91.8Very high92.7Very high59 Ų5985.7 Ų85.732%0.31641%0.411SS..Hα-helixtrans-63.5-41.6176.6-165.768.3000112.3Q149 R150 E151 R155 R156 M157Q149-D153 WeakPolarHBondContact O-CB 3.44Å; Q149-D153 PolarHBondContact O-N 3.31Å; R150-D153 PolarHBondContact O-N 2.98Å; E151-D153 VanDerWaalsContact C-N 3.34Å; D153-R155 VanDerWaalsContact C-N 3.35Å; D153-R155 PolarHBondContact O-N 3.02Å; D153-R156 PolarHBondContact O-N 2.85Å; D153-R156 IonicContact OD1-CZ 2.76Å; D153-R156 VanDerWaalsContact OD1-CZ 3.23Å; D153-R156 IonicContact OD1-NH1 3.8Å; D153-R156 PolarHBondContact OD1-NH1 2.83Å; D153-R156 IonicContact OD1-NH2 3.8Å; D153-R156 PolarHBondContact OD1-NH2 3.48Å; D153-M157 VanDerWaalsContact O-CB 3.3Å; D153-M157 WeakPolarHBondContact O-CB 3.45Å; D153-M157 PolarHBondContact O-N 2.83Å
154Q93.8Very high92.6Very high115 Ų11580.3 Ų80.354%0.53740%0.396SS..Hα-helixtrans-61.3-42.3173.7-71.7-63.6-40.300112.2R150 E151 D152 M157 S158R150-Q154 VanDerWaalsContact O-CG 3.27Å; R150-Q154 WeakPolarHBondContact O-CG 3.41Å; R150-Q154 PolarHBondContact O-N 2.78Å; E151-Q154 PolarHBondContact O-N 3.43Å; D152-Q154 PolarHBondContact O-N 3.05Å; Q154-M157 PolarHBondContact O-N 2.96Å; Q154-S158 WeakPolarHBondContact O-CB 3.3Å; Q154-S158 PolarHBondContact O-N 2.72Å; Q154-S158 PolarHBondContact O-OG 2.89Å
155R92.6Very high92.6Very high146 Ų14679.6 Ų79.655%0.55140%0.396SS*.Hα-helixtrans-61.9-50.8176-174.1-173.4-54.7-79.5-6.4110.8E151 D152 D153 M157 S158 E159E151-R155 WeakPolarHBondContact O-CB 3.45Å; E151-R155 PolarHBondContact O-N 2.81Å; D152-R155 WeakPolarHBondContact O-CB 3.5Å; D152-R155 PolarHBondContact O-N 2.89Å; D153-R155 VanDerWaalsContact C-N 3.35Å; D153-R155 PolarHBondContact O-N 3.02Å; R155-M157 VanDerWaalsContact C-N 3.35Å; R155-M157 PolarHBondContact O-N 2.74Å; R155-S158 WeakPolarHBondContact O-CB 3.1Å; R155-S158 PolarHBondContact O-N 3.42Å; R155-E159 WeakPolarHBondContact O-CG 3.43Å; R155-E159 PolarHBondContact O-N 3.27Å
156R92Very high92.4Very high85 Ų8584.5 Ų84.532%0.32142%0.417SS..Hα-helixtrans-56.5-48.8176-81.7178.525.9-100.2-18.6111.1D152 D153 S158 E159 I160D152-R156 WeakPolarHBondContact O-CB 3.38Å; D152-R156 PolarHBondContact O-N 3.37Å; D152-R156 IonicContact OD2-NH1 2.83Å; D153-R156 PolarHBondContact O-N 2.85Å; D153-R156 IonicContact OD1-CZ 2.76Å; D153-R156 VanDerWaalsContact OD1-CZ 3.23Å; D153-R156 IonicContact OD1-NH1 3.8Å; D153-R156 PolarHBondContact OD1-NH1 2.83Å; D153-R156 IonicContact OD1-NH2 3.8Å; D153-R156 PolarHBondContact OD1-NH2 3.48Å; R156-S158 VanDerWaalsContact C-N 3.27Å; R156-S158 PolarHBondContact O-N 3.19Å; R156-E159 WeakPolarHBondContact O-CB 3.27Å; R156-E159 PolarHBondContact O-N 3.47Å; R156-I160 WeakPolarHBondContact O-CG1 3.46Å; R156-I160 PolarHBondContact O-N 3.24Å
157M95.4Very high92.2Very high90 Ų9086.8 Ų86.844%0.44343%0.429SS..Hα-helixtrans-57.4-41.4178.8-16862.564.300112.1D153 Q154 R155 I160 T161D153-M157 VanDerWaalsContact O-CB 3.3Å; D153-M157 WeakPolarHBondContact O-CB 3.45Å; D153-M157 PolarHBondContact O-N 2.83Å; Q154-M157 PolarHBondContact O-N 2.96Å; R155-M157 VanDerWaalsContact C-N 3.35Å; R155-M157 PolarHBondContact O-N 2.74Å; M157-I160 PolarHBondContact O-N 3.22Å; M157-T161 WeakPolarHBondContact O-CB 3.16Å; M157-T161 PolarHBondContact O-N 2.96Å; M157-T161 PolarHBondContact O-OG1 3.2Å
158S90.9Very high92.1Very high78 Ų7893.7 Ų93.755%0.54545%0.451SS..Hα-helixtrans-64.6-40.9176-59.10000111.8Q154 R155 R156 T161 G162Q154-S158 WeakPolarHBondContact O-CB 3.3Å; Q154-S158 PolarHBondContact O-N 2.72Å; Q154-S158 PolarHBondContact O-OG 2.89Å; R155-S158 WeakPolarHBondContact O-CB 3.1Å; R155-S158 PolarHBondContact O-N 3.42Å; R156-S158 VanDerWaalsContact C-N 3.27Å; R156-S158 PolarHBondContact O-N 3.19Å; S158-T161 PolarHBondContact O-N 2.91Å; S158-G162 PolarHBondContact O-N 2.79Å
159E92.4Very high92.1Very high116 Ų11697.5 Ų97.554%0.54247%0.466SS..Hα-helixtrans-65.6-44.6175.9-71172.7-166.500112.1R155 R156 T161 G162 H163R155-E159 WeakPolarHBondContact O-CG 3.43Å; R155-E159 PolarHBondContact O-N 3.27Å; R156-E159 WeakPolarHBondContact O-CB 3.27Å; R156-E159 PolarHBondContact O-N 3.47Å; E159-T161 VanDerWaalsContact C-N 3.33Å; E159-T161 PolarHBondContact O-N 3.13Å; E159-G162 PolarHBondContact O-N 3.36Å; E159-H163 WeakPolarHBondContact O-CB 3.43Å; E159-H163 PolarHBondContact O-N 3Å
160I92.8Very high91.7Very high47 Ų4794.1 Ų94.124%0.24146%0.46CS..Hα-helixtrans-55.7-52.5174.5-51.7-149000109.5F127 R156 M157 G162 H163 L164F127-I160 HydrophobicContact CD1-CD1 3.81Å; F127-I160 HydrophobicContact CD1-CG1 3.93Å; F127-I160 HydrophobicContact CE1-CB 3.81Å; F127-I160 HydrophobicContact CE1-CD1 3.36Å; F127-I160 HydrophobicContact CE1-CG1 3.38Å; F127-I160 HydrophobicContact CE1-CG2 3.69Å; F127-I160 HydrophobicContact CZ-CD1 4.17Å; F127-I160 HydrophobicContact CZ-CG1 4.39Å; F127-I160 HydrophobicContact CZ-CG2 3.91Å; R156-I160 WeakPolarHBondContact O-CG1 3.46Å; R156-I160 PolarHBondContact O-N 3.24Å; M157-I160 PolarHBondContact O-N 3.22Å; I160-G162 PolarHBondContact O-N 2.94Å; I160-H163 PolarHBondContact O-N 3.41Å; I160-L164 HydrophobicContact CG2-CD1 4.07Å; I160-L164 HydrophobicContact CG2-CG 4.5Å; I160-L164 WeakPolarHBondContact O-CG 3.42Å; I160-L164 PolarHBondContact O-N 3.12Å
161T93.3Very high90.9Very high67 Ų6791.4 Ų91.441%0.41146%0.456SS..Hα-helixtrans-61.4-46.4-177.7-58.10000110.7M157 S158 E159 H163 L164 I165M157-T161 WeakPolarHBondContact O-CB 3.16Å; M157-T161 PolarHBondContact O-N 2.96Å; M157-T161 PolarHBondContact O-OG1 3.2Å; S158-T161 PolarHBondContact O-N 2.91Å; E159-T161 VanDerWaalsContact C-N 3.33Å; E159-T161 PolarHBondContact O-N 3.13Å; T161-H163 VanDerWaalsContact C-N 3.33Å; T161-H163 PolarHBondContact O-N 3.45Å; T161-L164 PolarHBondContact O-N 2.93Å; T161-I165 HydrophobicContact CG2-CD1 3.93Å; T161-I165 VanDerWaalsContact O-CG1 3.27Å; T161-I165 WeakPolarHBondContact O-CG1 3.42Å; T161-I165 PolarHBondContact O-N 3.34Å
162G92.6Very high89.6Confident35 Ų3589.9 Ų89.936%0.36145%0.451SS..Hα-helixtrans-60.7-39.8176.900000112.8S158 E159 I160 I165 K166S158-G162 PolarHBondContact O-N 2.79Å; E159-G162 PolarHBondContact O-N 3.36Å; I160-G162 PolarHBondContact O-N 2.94Å; G162-I165 PolarHBondContact O-N 3.02Å; G162-K166 WeakPolarHBondContact O-CB 3.41Å; G162-K166 PolarHBondContact O-N 3Å
163H92.4Very high88.2Confident63 Ų6394.6 Ų94.629%0.29248%0.477SS..Hα-helixtrans-64.6-45.8175.5-177.969000112.1P126 E159 I160 T161 I165 K166 M167P126-H163 VanDerWaalsContact CB-CD2 3.48Å; P126-H163 WeakPolarHBondContact CB-CD2 3.37Å; P126-H163 VanDerWaalsContact CB-NE2 3.31Å; P126-H163 WeakPolarHBondContact CB-NE2 3.48Å; E159-H163 WeakPolarHBondContact O-CB 3.43Å; E159-H163 PolarHBondContact O-N 3Å; I160-H163 PolarHBondContact O-N 3.41Å; T161-H163 VanDerWaalsContact C-N 3.33Å; T161-H163 PolarHBondContact O-N 3.45Å; H163-I165 VanDerWaalsContact C-N 3.33Å; H163-I165 PolarHBondContact O-N 2.92Å; H163-K166 WeakPolarHBondContact O-CB 3.41Å; H163-K166 PolarHBondContact O-N 3.03Å; H163-M167 PolarHBondContact O-N 2.93Å
164L93.3Very high86.6Confident75 Ų75100.7 Ų100.739%0.39350%0.495SS..Hα-helixtrans-61.8-40.5177.1-69.2174.4000112.1I160 T161 M167 R168I160-L164 HydrophobicContact CG2-CD1 4.07Å; I160-L164 HydrophobicContact CG2-CG 4.5Å; I160-L164 WeakPolarHBondContact O-CG 3.42Å; I160-L164 PolarHBondContact O-N 3.12Å; T161-L164 PolarHBondContact O-N 2.93Å; L164-M167 PolarHBondContact O-N 3.36Å; L164-R168 WeakPolarHBondContact O-CG 3.49Å; L164-R168 PolarHBondContact O-N 2.96Å; L164-R168 VanDerWaalsContact O-N 3.12Å
165I92.1Very high84.7Confident85 Ų8599.7 Ų99.744%0.43650%0.497SS..Hα-helixtrans-61.1-48.3173.9-70.5168.4000110.1T161 G162 H163 M167 R168 L169T161-I165 HydrophobicContact CG2-CD1 3.93Å; T161-I165 VanDerWaalsContact O-CG1 3.27Å; T161-I165 WeakPolarHBondContact O-CG1 3.42Å; T161-I165 PolarHBondContact O-N 3.34Å; G162-I165 PolarHBondContact O-N 3.02Å; H163-I165 VanDerWaalsContact C-N 3.33Å; H163-I165 PolarHBondContact O-N 2.92Å; I165-M167 VanDerWaalsContact C-N 3.3Å; I165-M167 PolarHBondContact O-N 3.37Å; I165-R168 PolarHBondContact O-N 3.15Å; I165-R168 VanDerWaalsContact O-N 3.08Å; I165-L169 HydrophobicContact CG2-CD1 3.82Å; I165-L169 PolarHBondContact O-N 3.37Å
166K91.1Very high83.1Confident114 Ų11499.5 Ų99.550%0.49650%0.5SS..Hα-helixtrans-59.5-38.7177.9-175.3178.3-63.8-172.10112.3G162 H163 G170 D171G162-K166 WeakPolarHBondContact O-CB 3.41Å; G162-K166 PolarHBondContact O-N 3Å; H163-K166 WeakPolarHBondContact O-CB 3.41Å; H163-K166 PolarHBondContact O-N 3.03Å; K166-G170 CarbonylContact O-C 3.59Å; K166-G170 WeakPolarHBondContact O-CA 3.37Å; K166-G170 PolarHBondContact O-N 3.34Å; K166-D171 WeakPolarHBondContact CE-OD1 3.4Å; K166-D171 IonicContact NZ-OD1 3.93Å
167M89.4Confident81.3Confident140 Ų14098.5 Ų98.569%0.6951%0.51SS*.Hα-helixtrans-64.9-37.1174.4-79.4-149.868.100113.1H163 L164 I165H163-M167 PolarHBondContact O-N 2.93Å; L164-M167 PolarHBondContact O-N 3.36Å; I165-M167 VanDerWaalsContact C-N 3.3Å; I165-M167 PolarHBondContact O-N 3.37Å
168R90.7Very high79.4Confident199 Ų199103.6 Ų103.675%0.75153%0.53SS*.Hα-helixtrans-78.9-40.7-178.8-70.1177.7-167.4160.34.2113.4L164 I165L164-R168 WeakPolarHBondContact O-CG 3.49Å; L164-R168 PolarHBondContact O-N 2.96Å; L164-R168 VanDerWaalsContact O-N 3.12Å; I165-R168 PolarHBondContact O-N 3.15Å; I165-R168 VanDerWaalsContact O-N 3.08Å
169L89Confident77.7Confident115 Ų115105.1 Ų105.160%0.60253%0.528SS*.Hα-helixtrans-110.2-6.4-168.8-70.4142.3000113.2I165I165-L169 HydrophobicContact CG2-CD1 3.82Å; I165-L169 PolarHBondContact O-N 3.37Å
170G83.1Confident75.6Confident37 Ų37103.9 Ų103.938%0.38153%0.532SS..  trans69.9-172.2-169.800000112.4K166 L172K166-G170 CarbonylContact O-C 3.59Å; K166-G170 WeakPolarHBondContact O-CA 3.37Å; K166-G170 PolarHBondContact O-N 3.34Å; G170-L172 PolarHBondContact O-N 2.83Å
171D77.6Confident74.1Confident82 Ų82109.2 Ų109.244%0.43955%0.554SS.*  trans-71.595.3171.6-93.4-20.3000109.9K166 D173 R174K166-D171 WeakPolarHBondContact CE-OD1 3.4Å; K166-D171 IonicContact NZ-OD1 3.93Å; D171-D173 PolarHBondContact O-N 2.76Å; D171-R174 HydrophobicContact CB-CG 4.13Å; D171-R174 PolarHBondContact O-N 3.26Å
172L64.1Low72.8Confident98 Ų98113.8 Ų113.851%0.51357%0.571SS.*Hα-helixtrans-58.1-29.2178.3-167.263.9000112.2G170 R174 V175 K176G170-L172 PolarHBondContact O-N 2.83Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 2.96Å; L172-V175 WeakPolarHBondContact O-CB 3.48Å; L172-V175 PolarHBondContact O-N 2.84Å; L172-V175 VanDerWaalsContact O-N 3.1Å; L172-K176 PolarHBondContact O-N 2.88Å
173D61.7Low71.7Confident141 Ų141115.4 Ų115.475%0.75457%0.568SS**Hα-helixtrans-60.2-34175.7-79-22.4000112.9D171 A177D171-D173 PolarHBondContact O-N 2.76Å; D173-A177 PolarHBondContact O-N 3.16Å
174R59.6Low70.7Confident186 Ų186118.2 Ų118.270%0.70260%0.602SS**Hα-helixtrans-77.8-24.8178-63.6-177.367.1-107.21.8112.3D171 L172D171-R174 HydrophobicContact CB-CG 4.13Å; D171-R174 PolarHBondContact O-N 3.26Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 2.96Å
175V53.8Low70.1Confident94 Ų94116.5 Ų116.557%0.5760%0.602SS**Hα-helixtrans-75.2-37.9179.8-177.50000110.6L172L172-V175 WeakPolarHBondContact O-CB 3.48Å; L172-V175 PolarHBondContact O-N 2.84Å; L172-V175 VanDerWaalsContact O-N 3.1Å
176K57.1Low69.6Low143 Ų143114.5 Ų114.562%0.62260%0.603SS**Hα-helixtrans-73.3-29.3176.6-66-69.8-174.5168.90113.6L172 K178 E179L172-K176 PolarHBondContact O-N 2.88Å; K176-K178 VanDerWaalsContact C-N 3.28Å; K176-K178 PolarHBondContact O-N 3.18Å; K176-E179 PolarHBondContact O-N 3.1Å
177A55.5Low69.3Low64 Ų64115 Ų11553%0.52961%0.61SS.*Hα-helixtrans-65.7-26.7-179.100000114D173 E179 S180D173-A177 PolarHBondContact O-N 3.16Å; A177-E179 VanDerWaalsContact C-N 3.34Å; A177-S180 PolarHBondContact O-OG 3.46Å
178K55.5Low69.1Low197 Ų197116.8 Ų116.886%0.85761%0.61SS**THydrogen-bonded Turntrans-83.6-1.9179-86.4-162.9173.4-172.90114.8K176K176-K178 VanDerWaalsContact C-N 3.28Å; K176-K178 PolarHBondContact O-N 3.18Å
179E54.1Low68.9Low110 Ų110109.6 Ų109.651%0.51459%0.59SS.*THydrogen-bonded Turntrans-105.815.1178.7-161.3159.3-142.200113.3K176 A177 K181K176-E179 PolarHBondContact O-N 3.1Å; A177-E179 VanDerWaalsContact C-N 3.34Å; E179-K181 VanDerWaalsContact C-N 3.25Å; E179-K181 PolarHBondContact O-N 2.88Å; E179-K181 VanDerWaalsContact O-N 3.07Å
180S49.5Very low68.7Low90 Ų90108.8 Ų108.863%0.62958%0.579SS**  trans-79.514.3-171.850.10000116.3A177 E182A177-S180 PolarHBondContact O-OG 3.46Å; S180-E182 VanDerWaalsContact C-N 3.26Å; S180-E182 PolarHBondContact O-N 3.33Å
181K60.9Low69Low159 Ų159111.6 Ų111.669%0.69159%0.585SS**  trans-93.867163.2-164.285.9178-1750108.3E179 F183E179-K181 VanDerWaalsContact C-N 3.25Å; E179-K181 PolarHBondContact O-N 2.88Å; E179-K181 VanDerWaalsContact O-N 3.07Å; K181-F183 HydrophobicContact CG-CE2 4.1Å; K181-F183 WeakPolarHBondContact O-CD2 3.27Å; K181-F183 PolarHBondContact O-N 3.3Å; K181-F183 VanDerWaalsContact O-N 3.1Å
182E66.8Low69.3Low163 Ų163112.8 Ų112.876%0.76259%0.587SS**  trans-57.4111.4169.4-43.5-74.7161.500107S180S180-E182 VanDerWaalsContact C-N 3.26Å; S180-E182 PolarHBondContact O-N 3.33Å
183F68.3Low70.2Confident68 Ų68109.7 Ų109.730%0.29858%0.576SS.*  trans-75136.8166.9-76.6-98.9000107.1K181 G185 G186 R190 A193K181-F183 HydrophobicContact CG-CE2 4.1Å; K181-F183 WeakPolarHBondContact O-CD2 3.27Å; K181-F183 PolarHBondContact O-N 3.3Å; K181-F183 VanDerWaalsContact O-N 3.1Å; F183-G185 PolarHBondContact O-N 2.9Å; F183-G186 PolarHBondContact O-N 3.31Å; F183-R190 HydrophobicContact CB-CB 4.42Å; F183-R190 HydrophobicContact CD2-CB 3.49Å; F183-R190 VanDerWaalsContact CD2-CB 3.49Å; F183-R190 HydrophobicContact CD2-CG 3.66Å; F183-R190 HydrophobicContact CE2-CB 3.91Å; F183-R190 HydrophobicContact CE2-CG 3.59Å; F183-R190 HydrophobicContact CG-CB 4.01Å; F183-R190 HydrophobicContact CZ-CG 4.48Å; F183-A193 HydrophobicContact CD1-CB 4.14Å; F183-A193 HydrophobicContact CE1-CB 3.38Å; F183-A193 HydrophobicContact CZ-CB 3.89Å
184A71.4Confident71.5Confident123 Ų123107.9 Ų107.9100%1.01756%0.563SS**THydrogen-bonded Turntrans-62.59.9-176.800000115.4
185G81.1Confident72.7Confident38 Ų38103.1 Ų103.139%0.39256%0.555SS.*THydrogen-bonded Turntrans-140.130.6168.900000112.9F183 S189F183-G185 PolarHBondContact O-N 2.9Å; G185-S189 WeakPolarHBondContact CA-OG 3.35Å; G185-S189 PolarHBondContact N-OG 3.12Å; G185-S189 PolarHBondContact O-OG 3.36Å
186G82.2Confident74.1Confident44 Ų44107.7 Ų107.745%0.45456%0.562SS.*Hα-helixtrans64.3-150.8173.400000113.9F183 Y188 S189 R190F183-G186 PolarHBondContact O-N 3.31Å; G186-Y188 VanDerWaalsContact C-N 3.26Å; G186-Y188 PolarHBondContact O-N 2.94Å; G186-S189 PolarHBondContact O-N 3.42Å; G186-R190 PolarHBondContact O-N 3.46Å; G186-R190 VanDerWaalsContact O-N 3.15Å
187I83.8Confident75.2Confident124 Ų124105.1 Ų105.164%0.63657%0.567SS**Hα-helixtrans-59.1-34.1-174.558.5171.8000113.3R190 L191I187-R190 WeakPolarHBondContact O-CB 3.5Å; I187-R190 PolarHBondContact O-N 2.56Å; I187-L191 WeakPolarHBondContact O-CG 3.41Å; I187-L191 PolarHBondContact O-N 2.88Å
188Y84.5Confident76.2Confident178 Ų178106.5 Ų106.570%0.69857%0.573SS**Hα-helixtrans-67.1-46.9180-72.6-74.3000111.4G186 R190 L191 E192G186-Y188 VanDerWaalsContact C-N 3.26Å; G186-Y188 PolarHBondContact O-N 2.94Å; Y188-R190 VanDerWaalsContact C-N 3.27Å; Y188-R190 PolarHBondContact O-N 3.24Å; Y188-L191 PolarHBondContact O-N 3.49Å; Y188-E192 WeakPolarHBondContact O-CB 3.05Å; Y188-E192 WeakPolarHBondContact O-CG 3.24Å; Y188-E192 PolarHBondContact O-N 3.49Å
189S86.3Confident77Confident47 Ų47101.4 Ų101.433%0.32956%0.558SS.*Hα-helixtrans-64.4-32.5175.9-63.60000112.9G185 G186 A193G185-S189 WeakPolarHBondContact CA-OG 3.35Å; G185-S189 PolarHBondContact N-OG 3.12Å; G185-S189 PolarHBondContact O-OG 3.36Å; G186-S189 PolarHBondContact O-N 3.42Å; S189-A193 WeakPolarHBondContact O-CB 3.5Å; S189-A193 PolarHBondContact O-N 3.03Å
190R86.5Confident77.3Confident98 Ų98100.8 Ų100.837%0.3756%0.564SS.*Hα-helixtrans-64.3-46.5173.7-174.7175.6-154.8-159.48.9111.8F183 G186 I187 Y188 A193 Q194F183-R190 HydrophobicContact CB-CB 4.42Å; F183-R190 HydrophobicContact CD2-CB 3.49Å; F183-R190 VanDerWaalsContact CD2-CB 3.49Å; F183-R190 HydrophobicContact CD2-CG 3.66Å; F183-R190 HydrophobicContact CE2-CB 3.91Å; F183-R190 HydrophobicContact CE2-CG 3.59Å; F183-R190 HydrophobicContact CG-CB 4.01Å; F183-R190 HydrophobicContact CZ-CG 4.48Å; G186-R190 PolarHBondContact O-N 3.46Å; G186-R190 VanDerWaalsContact O-N 3.15Å; I187-R190 WeakPolarHBondContact O-CB 3.5Å; I187-R190 PolarHBondContact O-N 2.56Å; Y188-R190 VanDerWaalsContact C-N 3.27Å; Y188-R190 PolarHBondContact O-N 3.24Å; R190-A193 PolarHBondContact O-N 3.19Å; R190-Q194 WeakPolarHBondContact O-CG 3.45Å; R190-Q194 PolarHBondContact O-N 3.2Å; R190-Q194 VanDerWaalsContact O-N 3.09Å
191L88.2Confident77.5Confident96 Ų96102.9 Ų102.950%0.50357%0.572SS.*Hα-helixtrans-64.6-45.5178.4-71.7170.2000111.3I187 Y188 A193 Q194 V195I187-L191 WeakPolarHBondContact O-CG 3.41Å; I187-L191 PolarHBondContact O-N 2.88Å; Y188-L191 PolarHBondContact O-N 3.49Å; L191-A193 VanDerWaalsContact C-N 3.32Å; L191-A193 PolarHBondContact O-N 3.36Å; L191-Q194 WeakPolarHBondContact O-CB 3.31Å; L191-Q194 PolarHBondContact O-N 3.18Å; L191-Q194 VanDerWaalsContact O-N 3.16Å; L191-V195 WeakPolarHBondContact O-CG2 3.37Å; L191-V195 PolarHBondContact O-N 3.29Å
192E84.9Confident77Confident107 Ų107101.3 Ų101.350%0.558%0.576SS.*Hα-helixtrans-58.4-41.4176.2-77.7-65.9132.400112.6Y188 V195 R196Y188-E192 WeakPolarHBondContact O-CB 3.05Å; Y188-E192 WeakPolarHBondContact O-CG 3.24Å; Y188-E192 PolarHBondContact O-N 3.49Å; E192-V195 PolarHBondContact O-N 3.39Å; E192-R196 WeakPolarHBondContact O-CB 3.38Å; E192-R196 VanDerWaalsContact O-CG 3.29Å; E192-R196 WeakPolarHBondContact O-CG 3.1Å; E192-R196 PolarHBondContact O-N 3.06Å
193A82.8Confident76.2Confident33 Ų3398.3 Ų98.327%0.27358%0.579SS.*Hα-helixtrans-66.5-39.6176.700000112.3F183 S189 R190 L191 R196 A197F183-A193 HydrophobicContact CD1-CB 4.14Å; F183-A193 HydrophobicContact CE1-CB 3.38Å; F183-A193 HydrophobicContact CZ-CB 3.89Å; S189-A193 WeakPolarHBondContact O-CB 3.5Å; S189-A193 PolarHBondContact O-N 3.03Å; R190-A193 PolarHBondContact O-N 3.19Å; L191-A193 VanDerWaalsContact C-N 3.32Å; L191-A193 PolarHBondContact O-N 3.36Å; A193-R196 PolarHBondContact O-N 3.37Å; A193-A197 VanDerWaalsContact O-CB 3.26Å; A193-A197 WeakPolarHBondContact O-CB 3.48Å; A193-A197 PolarHBondContact O-N 3.19Å
194Q88.2Confident75.5Confident103 Ų103105.9 Ų105.948%0.48161%0.606SS.*Hα-helixtrans-63.7-44.1174-76.1178.7-12.700111.3R190 L191 R196 A197 S198R190-Q194 WeakPolarHBondContact O-CG 3.45Å; R190-Q194 PolarHBondContact O-N 3.2Å; R190-Q194 VanDerWaalsContact O-N 3.09Å; L191-Q194 WeakPolarHBondContact O-CB 3.31Å; L191-Q194 PolarHBondContact O-N 3.18Å; L191-Q194 VanDerWaalsContact O-N 3.16Å; Q194-R196 PolarHBondContact O-N 3.25Å; Q194-A197 PolarHBondContact O-N 3.5Å; Q194-S198 VanDerWaalsContact O-CB 3.28Å; Q194-S198 WeakPolarHBondContact O-CB 3.39Å; Q194-S198 PolarHBondContact O-N 3.1Å; Q194-S198 PolarHBondContact O-OG 2.87Å
195V85.1Confident74.4Confident87 Ų87108.5 Ų108.553%0.52760%0.597SS.*Hα-helixtrans-59.8-48.6176.8171.60000110.2L191 E192 A197 S198 V199L191-V195 WeakPolarHBondContact O-CG2 3.37Å; L191-V195 PolarHBondContact O-N 3.29Å; E192-V195 PolarHBondContact O-N 3.39Å; V195-A197 PolarHBondContact O-N 3.21Å; V195-S198 PolarHBondContact O-N 3.33Å; V195-V199 WeakPolarHBondContact O-CG2 3.19Å; V195-V199 PolarHBondContact O-N 3.34Å
196R83.9Confident72.6Confident189 Ų189113.5 Ų113.571%0.71362%0.615SS**Hα-helixtrans-63.7-37.5178.3-72.2171.7178.9-97.2-1.1113.7E192 A193 Q194 S198E192-R196 WeakPolarHBondContact O-CB 3.38Å; E192-R196 VanDerWaalsContact O-CG 3.29Å; E192-R196 WeakPolarHBondContact O-CG 3.1Å; E192-R196 PolarHBondContact O-N 3.06Å; A193-R196 PolarHBondContact O-N 3.37Å; Q194-R196 PolarHBondContact O-N 3.25Å; R196-S198 VanDerWaalsContact C-N 3.33Å
197A79.4Confident70.5Confident89 Ų89117.3 Ų117.374%0.73663%0.634SS**Hα-helixtrans-73.7-26177.700000112.8A193 Q194 V195A193-A197 VanDerWaalsContact O-CB 3.26Å; A193-A197 WeakPolarHBondContact O-CB 3.48Å; A193-A197 PolarHBondContact O-N 3.19Å; Q194-A197 PolarHBondContact O-N 3.5Å; V195-A197 PolarHBondContact O-N 3.21Å
198S76.5Confident68.7Low93 Ų93116.4 Ų116.465%0.6564%0.639SS**Hα-helixtrans-86.2-15.3-179.4-52.60000113.1Q194 V195 R196 P200Q194-S198 VanDerWaalsContact O-CB 3.28Å; Q194-S198 WeakPolarHBondContact O-CB 3.39Å; Q194-S198 PolarHBondContact O-N 3.1Å; Q194-S198 PolarHBondContact O-OG 2.87Å; V195-S198 PolarHBondContact O-N 3.33Å; R196-S198 VanDerWaalsContact C-N 3.33Å; S198-P200 VanDerWaalsContact O-CD 3.25Å; S198-P200 WeakPolarHBondContact O-CD 3.22Å
199V73.3Confident66.7Low91 Ų91115.4 Ų115.455%0.55265%0.646SS**SBendtrans-73.3115.6173.3173.30000108.5V195 V201V195-V199 WeakPolarHBondContact O-CG2 3.19Å; V195-V199 PolarHBondContact O-N 3.34Å; V199-V201 PolarHBondContact O-N 3.48Å
200P58.9Low64.8Low97 Ų97122.6 Ų122.663%0.6367%0.671SS**  trans-61.3128173.323.2-29.6000109.5S198 T202S198-P200 VanDerWaalsContact O-CD 3.25Å; S198-P200 WeakPolarHBondContact O-CD 3.22Å; P200-T202 PolarHBondContact O-N 3.38Å
201V53.6Low62.6Low133 Ų133124.8 Ų124.881%0.80669%0.69SS**SBendtrans-66.684.1172174.80000108.5V199V199-V201 PolarHBondContact O-N 3.48Å
202T51.8Low60.6Low127 Ų127129 Ų12978%0.77971%0.708SS**  trans-127.421.3167.157.80000112P200P200-T202 PolarHBondContact O-N 3.38Å
203A48.9Very low59.1Low99 Ų99138.6 Ų138.682%0.81874%0.739SS**  trans-124.637.9177.200000112.8
204R53.2Low57.9Low228 Ų228143.9 Ų143.986%0.8676%0.763SS**  trans-133.486.7163.3-97.2-170.4172-174.6-1.9109.3
205Q48.9Very low56.3Low177 Ų177146.1 Ų146.183%0.82778%0.777SS**  trans-162.8135.3144-111.2175.7-25.800112.2
206N42.6Very low54.7Low143 Ų143149.3 Ų149.377%0.76579%0.791SS**  trans82.3100.5152.5-60.5-10.7000120
207S39.5Very low52.9Low124 Ų124147 Ų14787%0.86780%0.796SS**  -168.687.3114.161.60000111.3
208S45.8Very low51.3Low106 Ų106150.6 Ų150.674%0.74180%0.8SS**  trans-118.897.615356.40000106.4
209D42.6Very low49.6Very low156 Ų156154.5 Ų154.583%0.83481%0.81SS**  trans177.9146.1148.1-95.1-42.3000112.6
210K47Very low47.9Very low198 Ų198159 Ų15986%0.86183%0.828SS**  trans89.3125.1171.2-47.3-176.2-172.8-177.20114.5
211N40Very low47.1Very low145 Ų145163.8 Ų163.878%0.77584%0.843SS**  cis-163.313840.8-158.37.8000111.7
212Q46.4Very low46.5Very low185 Ų185166.3 Ų166.386%0.86485%0.846SS**  trans-74.4134.1158-79.2177.4-5.400108.8
213R51.7Low46.1Very low308 Ų308169.9 Ų169.9100%1.16285%0.852SS**  trans-157.30142.6-164.5174.8-89.1163.2-9109.7

Retrieved 213 of 213 residues in 96.4 ms (Link to these results)