A0A077Z455_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z455, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 301 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
1M45.4Very low36.5Very low234 Ų234188.6 Ų188.6100%1.15388%0.876SS**  091.20-163.7-178.6-91.900107.7K3M1-K3 PolarHBondContact O-N 3.42Å
2I38.9Very low36.1Very low156 Ų156185.8 Ų185.880%0.887%0.872SS**  trans-89.5103.1-168.6-62172.2000109R4I2-R4 HydrophobicContact CG2-CG 4.28Å; I2-R4 PolarHBondContact O-N 2.77Å
3K37.4Very low36.3Very low184 Ų184186.9 Ų186.980%0.887%0.872SS**  trans-78.9106.3168.9-77.8-179.2174.9179.50108.8M1M1-K3 PolarHBondContact O-N 3.42Å
4R40.2Very low36.1Very low219 Ų219182.4 Ų182.483%0.82687%0.872SS**  trans-84.7108.5169.9-78-175.5177176.6-0.8109I2I2-R4 HydrophobicContact CG2-CG 4.28Å; I2-R4 PolarHBondContact O-N 2.77Å
5F40.5Very low36.2Very low196 Ų196177.1 Ų177.186%0.8686%0.858SS**  trans-77.5120167.8-96-95.2000109.6
6F34.8Very low36.2Very low195 Ų195173.6 Ų173.686%0.85586%0.857SS**  trans-86.4125166-87-91.5000109.1
7R36.2Very low36.1Very low243 Ų243171.2 Ų171.292%0.91785%0.854SS**  trans-103.3105.1176.1-165.4176.9-164.5167.54.5108.3
8L29.8Very low35.7Very low174 Ų174173.4 Ų173.491%0.91186%0.858SS**PPolyproline II helixtrans-74121.9174.9-75159.8000109.5
9R29Very low35.4Very low239 Ų239169.4 Ų169.490%0.90285%0.849SS**PPolyproline II helixtrans-87.7121.8171.2-96.3-176177.5176.1-0.4108.9
10S31.7Very low35.4Very low112 Ų112172.3 Ų172.378%0.78385%0.849SS**PPolyproline II helixtrans-77.9124.6171.3-175.80000110.2
11C37.7Very low35.3Very low123 Ų123170.9 Ų170.983%0.83185%0.845SS**  trans-95.7104.3175.1-75.80000109.6K13C11-K13 PolarHBondContact O-N 2.8Å
12N31.7Very low34.5Very low154 Ų154163.6 Ų163.682%0.82483%0.83SS**  trans-68.5112.4167.4-84.1-26.9000110.2
13K38.8Very low34.1Very low201 Ų201160.5 Ų160.587%0.87483%0.828SS**  trans-141122.8152-80.8-167.6178178.10110.4C11C11-K13 PolarHBondContact O-N 2.8Å
14S33.1Very low33.7Very low124 Ų124159.5 Ų159.587%0.86783%0.829SS**  trans-67.3134.2-173.3-31.20000112.9
15P38.5Very low33Very low102 Ų102156.1 Ų156.166%0.66283%0.827SS**  trans-105129.8164.214.64.1000111.8
16S35.2Very low32.5Very low121 Ų121156.5 Ų156.585%0.84683%0.828SS**  trans-65.7131.9173.647.30000112.3
17V34.9Very low32.2Very low134 Ų134153.6 Ų153.681%0.81282%0.821SS**  trans-84118.7-178.81780000110
18F28.9Very low31.8Very low210 Ų210148.7 Ų148.792%0.92181%0.813SS**  trans-110.3122.5164.4-131.3-92.4000108.5
19S30.7Very low32.2Very low98 Ų98145.6 Ų145.669%0.68580%0.796SS**  trans-94.4131.1-178.1171.70000110.2
20R34.2Very low32.6Very low226 Ų226142.3 Ų142.385%0.85379%0.791SS**  trans-169.8119.3147.4-113172.7178.8-176.7-0.6113.4
21N34.3Very low33.2Very low144 Ų144142.1 Ų142.177%0.7779%0.786SS**  trans5697.5141.7-59-6.7000118.8
22G28.3Very low33.5Very low81 Ų81144.5 Ų144.584%0.83578%0.782SS**  trans-68.9133.9167.900000113.2
23A30.1Very low34.5Very low91 Ų91140.8 Ų140.875%0.75277%0.767SS**  trans-109.2111.5151.800000106.6L25A23-L25 PolarHBondContact O-N 3.14Å; A23-L25 VanDerWaalsContact O-N 3.12Å
24I29.4Very low35.1Very low162 Ų162137.8 Ų137.883%0.83176%0.759SS**  trans-78.992.3177.2-61.1172.3000107K26I24-K26 PolarHBondContact O-N 3.28Å
25L25.8Very low35.9Very low148 Ų148137 Ų13778%0.77575%0.745SS**  trans-7698.8165.7-80.4165.4000108.2A23 L27A23-L25 PolarHBondContact O-N 3.14Å; A23-L25 VanDerWaalsContact O-N 3.12Å; L25-L27 PolarHBondContact O-N 3.08Å
26K28.6Very low37Very low204 Ų204136.7 Ų136.789%0.88774%0.741SS**  trans-67.680.8168.3-121.1178.5179.8-179.60108.4I24 N28I24-K26 PolarHBondContact O-N 3.28Å; K26-N28 PolarHBondContact O-N 3.46Å
27L28.7Very low38.1Very low135 Ų135135.9 Ų135.971%0.70773%0.726SS**  trans-81.4108.2168.6-80165.7000108.2L25 I29L25-L27 PolarHBondContact O-N 3.08Å; L27-I29 HydrophobicContact CB-CD1 4.29Å; L27-I29 HydrophobicContact CB-CG1 4.25Å; L27-I29 PolarHBondContact O-N 3.5Å
28N29.3Very low38.9Very low139 Ų139131.7 Ų131.774%0.74371%0.706SS**  trans-72.498.6173.7-167.6-3.2000108.6K26K26-N28 PolarHBondContact O-N 3.46Å
29I37.5Very low40.4Very low110 Ų110126.9 Ų126.956%0.56469%0.69SS**  trans-104.122-178.6-57.1167.4000110.9L27 T31 P33L27-I29 HydrophobicContact CB-CD1 4.29Å; L27-I29 HydrophobicContact CB-CG1 4.25Å; L27-I29 PolarHBondContact O-N 3.5Å; I29-T31 VanDerWaalsContact C-N 3.31Å; I29-T31 PolarHBondContact O-N 3.16Å; I29-T31 VanDerWaalsContact O-N 3.14Å; I29-P33 HydrophobicContact CG2-CG 4.1Å
30E37.6Very low41.6Very low169 Ų169128.1 Ų128.179%0.7968%0.68SS**SBendtrans-80.982.3163.1-63.4-176-176.500106
31T45Very low42.9Very low109 Ų109122.3 Ų122.367%0.66967%0.665SS**SBend-170.53.6105.2-56.50000111.6I29I29-T31 VanDerWaalsContact C-N 3.31Å; I29-T31 PolarHBondContact O-N 3.16Å; I29-T31 VanDerWaalsContact O-N 3.14Å
32F43Very low44.1Very low172 Ų172119.5 Ų119.575%0.75466%0.657SS**SBendtrans-110.411.6-157.5-133.1-96.2000121.1
33P52.3Low45.7Very low77 Ų77119.5 Ų119.550%0.565%0.649SS.*SBendtrans-112.9-15164.1119.8000115.9I29 L37I29-P33 HydrophobicContact CG2-CG 4.1Å; P33-L37 PolarHBondContact O-N 3.12Å
34L51.7Low46.9Very low138 Ų138120.4 Ų120.472%0.72364%0.641SS**Hα-helixtrans-78.6-35.8-173-71.2175.7000113.6L37 A38L34-L37 PolarHBondContact O-N 2.86Å; L34-A38 WeakPolarHBondContact O-CB 3.36Å; L34-A38 PolarHBondContact O-N 3.41Å
35L50.7Low47.7Very low108 Ų108123.1 Ų123.157%0.56564%0.64SS**Hα-helixtrans-64.5-41.3178.4-85.5157.9000112L37 A38 D39L35-L37 VanDerWaalsContact C-N 3.31Å; L35-L37 PolarHBondContact O-N 2.92Å; L35-A38 PolarHBondContact O-N 2.99Å; L35-D39 PolarHBondContact O-N 3.01Å
36V61.4Low48.4Very low94 Ų94119.8 Ų119.857%0.5764%0.642SS**Hα-helixtrans-65.1-37.5177.9-177.40000111.1Y40V36-Y40 WeakPolarHBondContact O-CB 3.23Å; V36-Y40 PolarHBondContact O-N 3.04Å
37L57.2Low48.9Very low104 Ų104112.2 Ų112.255%0.54562%0.622SS.*Hα-helixtrans-69.6-39176.2-153.184.8000111.7P33 L34 L35 Y40 I41P33-L37 PolarHBondContact O-N 3.12Å; L34-L37 PolarHBondContact O-N 2.86Å; L35-L37 VanDerWaalsContact C-N 3.31Å; L35-L37 PolarHBondContact O-N 2.92Å; L37-Y40 PolarHBondContact O-N 3.46Å; L37-I41 HydrophobicContact CD2-CD1 4.4Å; L37-I41 HydrophobicContact CG-CD1 4.37Å; L37-I41 VanDerWaalsContact O-CG1 3.25Å; L37-I41 WeakPolarHBondContact O-CG1 3.29Å; L37-I41 PolarHBondContact O-N 3.45Å
38A52Low49.3Very low47 Ų47112.6 Ų112.639%0.38863%0.634SS.*Hα-helixtrans-67.5-42.8178.700000112.2L34 L35 Y40 I41 S42L34-A38 WeakPolarHBondContact O-CB 3.36Å; L34-A38 PolarHBondContact O-N 3.41Å; L35-A38 PolarHBondContact O-N 2.99Å; A38-Y40 VanDerWaalsContact C-N 3.33Å; A38-I41 PolarHBondContact O-N 2.75Å; A38-S42 WeakPolarHBondContact O-CB 3.35Å; A38-S42 PolarHBondContact O-N 3.44Å; A38-S42 PolarHBondContact O-OG 2.68Å
39D60.1Low49.4Very low108 Ų108115 Ų11558%0.57864%0.638SS**Hα-helixtrans-65.7-38174.4-76.3-17.5000111.2L35 S42 A43L35-D39 PolarHBondContact O-N 3.01Å; D39-S42 PolarHBondContact O-N 3.36Å; D39-A43 VanDerWaalsContact O-CB 3.26Å; D39-A43 WeakPolarHBondContact O-CB 3.49Å; D39-A43 PolarHBondContact O-N 2.82Å
40Y57.2Low49.1Very low124 Ų124118.1 Ų118.149%0.48665%0.65SS.*Hα-helixtrans-64.8-43.2175.2-177.9-105.4000112.7V36 L37 A38 S42 A43 L44V36-Y40 WeakPolarHBondContact O-CB 3.23Å; V36-Y40 PolarHBondContact O-N 3.04Å; L37-Y40 PolarHBondContact O-N 3.46Å; A38-Y40 VanDerWaalsContact C-N 3.33Å; Y40-S42 VanDerWaalsContact C-N 3.3Å; Y40-S42 PolarHBondContact O-N 2.97Å; Y40-A43 PolarHBondContact O-N 3.04Å; Y40-L44 HydrophobicContact CD1-CD1 3.85Å; Y40-L44 HydrophobicContact CE1-CD1 3.29Å; Y40-L44 HydrophobicContact CE1-CG 4.26Å; Y40-L44 HydrophobicContact CE2-CD1 4.07Å; Y40-L44 HydrophobicContact CE2-CG 4.25Å; Y40-L44 HydrophobicContact CG-CD1 4.45Å; Y40-L44 VanDerWaalsContact CZ-CD1 3.42Å; Y40-L44 WeakPolarHBondContact O-CB 3.5Å; Y40-L44 WeakPolarHBondContact O-CG 3.37Å; Y40-L44 PolarHBondContact O-N 3.48Å
41I59.9Low48.9Very low104 Ų104118 Ų11853%0.53365%0.653SS.*Hα-helixtrans-65-38175.5-68.9166.7000110.6L37 A38L37-I41 HydrophobicContact CD2-CD1 4.4Å; L37-I41 HydrophobicContact CG-CD1 4.37Å; L37-I41 VanDerWaalsContact O-CG1 3.25Å; L37-I41 WeakPolarHBondContact O-CG1 3.29Å; L37-I41 PolarHBondContact O-N 3.45Å; A38-I41 PolarHBondContact O-N 2.75Å
42S60.7Low48.3Very low86 Ų86118.5 Ų118.560%0.60166%0.656SS**Hα-helixtrans-68.7-41.4177.8-59.60000112A38 D39 Y40A38-S42 WeakPolarHBondContact O-CB 3.35Å; A38-S42 PolarHBondContact O-N 3.44Å; A38-S42 PolarHBondContact O-OG 2.68Å; D39-S42 PolarHBondContact O-N 3.36Å; Y40-S42 VanDerWaalsContact C-N 3.3Å; Y40-S42 PolarHBondContact O-N 2.97Å
43A61.6Low47.7Very low80 Ų80115.7 Ų115.766%0.66166%0.655SS**Hα-helixtrans-68.9-37.9179.300000112.8D39 Y40 R45D39-A43 VanDerWaalsContact O-CB 3.26Å; D39-A43 WeakPolarHBondContact O-CB 3.49Å; D39-A43 PolarHBondContact O-N 2.82Å; Y40-A43 PolarHBondContact O-N 3.04Å; A43-R45 PolarHBondContact O-N 2.85Å
44L54.9Low46.8Very low111 Ų111115.9 Ų115.958%0.58166%0.663SS**THydrogen-bonded Turntrans-68.9-15.2-178.4-83.4177.9000114.8Y40Y40-L44 HydrophobicContact CD1-CD1 3.85Å; Y40-L44 HydrophobicContact CE1-CD1 3.29Å; Y40-L44 HydrophobicContact CE1-CG 4.26Å; Y40-L44 HydrophobicContact CE2-CD1 4.07Å; Y40-L44 HydrophobicContact CE2-CG 4.25Å; Y40-L44 HydrophobicContact CG-CD1 4.45Å; Y40-L44 VanDerWaalsContact CZ-CD1 3.42Å; Y40-L44 WeakPolarHBondContact O-CB 3.5Å; Y40-L44 WeakPolarHBondContact O-CG 3.37Å; Y40-L44 PolarHBondContact O-N 3.48Å
45R47.1Very low46Very low218 Ų218118.1 Ų118.182%0.82367%0.669SS**THydrogen-bonded Turntrans-126.29.4-172.4-79.6-169.3170.2179.5-1.3116.9A43 G47A43-R45 PolarHBondContact O-N 2.85Å; R45-G47 PolarHBondContact O-N 3.39Å
46G40.4Very low45.4Very low79 Ų79118.3 Ų118.381%0.81468%0.68SS**  trans46.327.7154.300000117.6
47G38Very low44.4Very low45 Ų45121.4 Ų121.446%0.46469%0.692SS.*SBendtrans-158.2123.9-170.900000111.8R45 F49R45-G47 PolarHBondContact O-N 3.39Å; G47-F49 PolarHBondContact O-N 3.23Å; G47-F49 VanDerWaalsContact O-N 3.13Å
48C37.7Very low43.7Very low142 Ų142121.9 Ų121.996%0.95970%0.702SS**  trans-62.6107.4167.6-60.50000108.5
49F32.3Very low43.2Very low190 Ų190126.1 Ų126.183%0.83372%0.723SS**  trans-121.9125173.3-89.6-84.3000111.1G47G47-F49 PolarHBondContact O-N 3.23Å; G47-F49 VanDerWaalsContact O-N 3.13Å
50E31.1Very low42Very low176 Ų176127 Ų12782%0.82273%0.732SS**  trans-72.6132.2160.8-162.8174.3-170.400108.1V52E50-V52 PolarHBondContact O-N 3.39Å; E50-V52 VanDerWaalsContact O-N 3.08Å
51I32.7Very low40.9Very low166 Ų166129 Ų12985%0.85175%0.75SS**  trans-69.6105.5-177.9-60.5170000108.3
52V31.4Very low39.8Very low120 Ų120130.2 Ų130.273%0.72776%0.762SS**  trans-114.3125.8165.9-174.10000108.4E50E50-V52 PolarHBondContact O-N 3.39Å; E50-V52 VanDerWaalsContact O-N 3.08Å
53P31.9Very low38.8Very low113 Ų113133.9 Ų133.973%0.73477%0.774SS**  trans-73.9132.3-167.426.8-32.3000114
54A32Very low37.9Very low81 Ų81135.8 Ų135.867%0.66978%0.78SS**  trans9.3123.915400000120.5
55H36Very low37.4Very low184 Ų184140.6 Ų140.685%0.85280%0.796SS**  trans-160.1119.5134.2-75.3-58.7000112.2
56S37Very low37.1Very low112 Ų112135.4 Ų135.478%0.78379%0.794SS**  trans65.1132.5155.287.50000117.9
57L40.5Very low37.3Very low159 Ų159141.3 Ų141.383%0.83280%0.797SS**  cis-165166.643.1-86.7161.5000109.9
58P43.9Very low37.9Very low114 Ų114150.4 Ų150.474%0.7482%0.817SS**PPolyproline II helixtrans-96.3134.3-172.135.1-30.8000115.3
59T40.3Very low38.2Very low136 Ų136154.1 Ų154.183%0.83482%0.817SS**PPolyproline II helixtrans-94.2127176.3-57.60000111.5
60V36.4Very low39.3Very low128 Ų128150.7 Ų150.778%0.77682%0.817SS**PPolyproline II helixtrans-101.6124.2177.4177.40000109.9V62V60-V62 HydrophobicContact CG1-CG2 4.48Å
61L33Very low40.1Very low165 Ų165152.2 Ų152.286%0.86482%0.82SS**PPolyproline II helixtrans-101.8132.7173.9-84.3161.3000110.7
62V37.6Very low40.8Very low130 Ų130155.2 Ų155.279%0.78882%0.821SS**  trans-116.1122.9178.4178.20000109.3V60V60-V62 HydrophobicContact CG1-CG2 4.48Å
63L38.7Very low41.5Very low163 Ų163157.2 Ų157.285%0.85382%0.822SS**  trans-98.6137.2-179.7-80.9159.8000112.3
64P42.6Very low42.4Very low120 Ų120160.7 Ų160.778%0.77983%0.826SS**  trans-86.7140.4-178.132-32.5000113.7
65K44.8Very low43.6Very low211 Ų211161.6 Ų161.692%0.91783%0.825SS**  trans-82.2112.8177.3-66.7-167.6175.5-178.20111.3
66S41.2Very low44.7Very low110 Ų110159.7 Ų159.777%0.76982%0.82SS**  trans-94.9125.8171.8-174.20000111.2
67K45Very low46.3Very low202 Ų202158.3 Ų158.388%0.87881%0.809SS**  trans-112.6114.8171.4-75-172.8177.8179.10108.3
68R49.3Very low47.8Very low237 Ų237156 Ų15689%0.89480%0.797SS**  trans-139.1120.1161.9-73.9-169.2175.5167.9-0.6111
69K45.6Very low49Very low220 Ų220155.6 Ų155.696%0.95779%0.792SS**  trans-90.3118.4166.3-67.5-177.4176.2-177.50106.7
70S53.7Low50.7Low118 Ų118155 Ų15583%0.82578%0.78SS**  trans-130.7128166.1-1650000109.8
71K49Very low52.4Low208 Ų208151.3 Ų151.390%0.90476%0.762SS**  trans-74.6130.1-174.3-103.9171.8172.8178.40109.5
72R47.3Very low54.2Low228 Ų228146.1 Ų146.186%0.8674%0.743SS**  trans-72.5129.4-175-53.5175-165.9174.8-1110.1
73H45.9Very low56.1Low162 Ų162144.5 Ų144.575%0.7573%0.73SS**  trans-152.359.7169.1-149.3-75.8000112.2
74F51.5Low57.9Low187 Ų187139.7 Ų139.782%0.8271%0.709SS**  trans-151.397.5170.4-78.7-73.4000113.4
75P55.7Low59.9Low99 Ų99140.1 Ų140.164%0.64370%0.698SS**  trans-113.40.5153.433-26.7000114.2C77P75-C77 PolarHBondContact O-N 2.99Å
76L59.5Low61.7Low145 Ų145134.2 Ų134.276%0.75968%0.68SS**Hα-helixtrans-73.1-20-174.1-122.6109.9000114.9
77C70.6Confident63.7Low82 Ų82133.7 Ų133.755%0.55467%0.668SS**Hα-helixtrans-76.7-30.2-172.663.80000114P75 A81P75-C77 PolarHBondContact O-N 2.99Å; C77-A81 PolarHBondContact O-N 2.87Å; C77-A81 VanDerWaalsContact O-N 3.13Å
78I71.3Confident65.7Low112 Ų112127.6 Ų127.657%0.57465%0.651SS**Hα-helixtrans-71.1-45.6-175.3-61.4178.9000110.5H80 A81 A82I78-H80 VanDerWaalsContact C-N 3.31Å; I78-H80 PolarHBondContact O-N 3.45Å; I78-A81 PolarHBondContact O-N 2.88Å; I78-A82 PolarHBondContact O-N 3.02Å; I78-A82 VanDerWaalsContact O-N 3.07Å
79V70Confident67.4Low105 Ų105120.4 Ų120.464%0.63663%0.634SS**Hα-helixtrans-62.4-41.9179.2-179.20000110.5A81 A82 L83V79-A81 PolarHBondContact O-N 2.69Å; V79-A82 PolarHBondContact O-N 3.17Å; V79-L83 WeakPolarHBondContact O-CB 3.45Å; V79-L83 PolarHBondContact O-N 3.01Å
80H75.4Confident69.3Low124 Ų124114 Ų11457%0.57461%0.61SS**Hα-helixtrans-63.3-42.3178-170.8-83.3000112.3I78 L83 C84I78-H80 VanDerWaalsContact C-N 3.31Å; I78-H80 PolarHBondContact O-N 3.45Å; H80-L83 PolarHBondContact O-N 3.39Å; H80-C84 PolarHBondContact CE1-SG 2.96Å; H80-C84 PolarHBondContact O-N 2.95Å; H80-C84 PolarHBondContact O-SG 3.45Å
81A72.9Confident70.9Confident49 Ų49111.1 Ų111.141%0.40559%0.593SS.*Hα-helixtrans-67.4-38.6179.300000112.8C77 I78 V79 K85C77-A81 PolarHBondContact O-N 2.87Å; C77-A81 VanDerWaalsContact O-N 3.13Å; I78-A81 PolarHBondContact O-N 2.88Å; V79-A81 PolarHBondContact O-N 2.69Å; A81-K85 PolarHBondContact O-N 3.08Å
82A71.2Confident72.8Confident56 Ų56105.7 Ų105.746%0.46357%0.573SS.*Hα-helixtrans-64.9-44.4174.700000111.2I78 V79 C84 K85 T86I78-A82 PolarHBondContact O-N 3.02Å; I78-A82 VanDerWaalsContact O-N 3.07Å; V79-A82 PolarHBondContact O-N 3.17Å; A82-C84 VanDerWaalsContact C-N 3.35Å; A82-C84 PolarHBondContact O-N 3.36Å; A82-K85 PolarHBondContact O-N 2.89Å; A82-K85 VanDerWaalsContact O-N 3.17Å; A82-T86 PolarHBondContact O-N 2.89Å; A82-T86 VanDerWaalsContact O-N 3.15Å; A82-T86 PolarHBondContact O-OG1 3.3Å
83L77.8Confident74.8Confident97 Ų9798.5 Ų98.551%0.50855%0.554SS.*Hα-helixtrans-62.9-38.8177.7-164.2114.3000112.2V79 H80 K85 T86 L87V79-L83 WeakPolarHBondContact O-CB 3.45Å; V79-L83 PolarHBondContact O-N 3.01Å; H80-L83 PolarHBondContact O-N 3.39Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.14Å; L83-T86 PolarHBondContact O-OG1 2.89Å; L83-L87 HydrophobicContact CD2-CD1 3.89Å; L83-L87 HydrophobicContact CG-CD1 4.37Å; L83-L87 WeakPolarHBondContact O-CB 3.47Å; L83-L87 VanDerWaalsContact O-CG 3.28Å; L83-L87 WeakPolarHBondContact O-CG 3.23Å; L83-L87 PolarHBondContact O-N 3.48Å; L83-L87 VanDerWaalsContact O-N 3.11Å
84C76.7Confident76.9Confident62 Ų6298.7 Ų98.742%0.41955%0.548SS..Hα-helixtrans-63-36.6175.2-730000112.7H80 A82 S88H80-C84 PolarHBondContact CE1-SG 2.96Å; H80-C84 PolarHBondContact O-N 2.95Å; H80-C84 PolarHBondContact O-SG 3.45Å; A82-C84 VanDerWaalsContact C-N 3.35Å; A82-C84 PolarHBondContact O-N 3.36Å; C84-S88 PolarHBondContact O-N 3.37Å; C84-S88 VanDerWaalsContact O-N 3.17Å
85K83.3Confident78.9Confident128 Ų12895.3 Ų95.356%0.55754%0.535SS*.Hα-helixtrans-70.2-44.9179.3-72.5-178.9178.4-174.40111.8A81 A82 L83 L87 S88 T89A81-K85 PolarHBondContact O-N 3.08Å; A82-K85 PolarHBondContact O-N 2.89Å; A82-K85 VanDerWaalsContact O-N 3.17Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.14Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 2.58Å; K85-S88 PolarHBondContact O-N 3.43Å; K85-T89 PolarHBondContact O-N 2.85Å; K85-T89 VanDerWaalsContact O-N 3.07Å; K85-T89 PolarHBondContact O-OG1 2.95Å
86T83.3Confident80.6Confident87 Ų8795.2 Ų95.253%0.53453%0.529SS..Hα-helixtrans-63.9-39.3179.353.70000111.6A82 L83 S88 T89 L90A82-T86 PolarHBondContact O-N 2.89Å; A82-T86 VanDerWaalsContact O-N 3.15Å; A82-T86 PolarHBondContact O-OG1 3.3Å; L83-T86 PolarHBondContact O-OG1 2.89Å; T86-S88 VanDerWaalsContact C-N 3.34Å; T86-S88 PolarHBondContact O-N 3.4Å; T86-T89 PolarHBondContact O-N 2.93Å; T86-L90 WeakPolarHBondContact O-CB 3.26Å; T86-L90 PolarHBondContact O-N 2.84Å
87L82.8Confident82.1Confident100 Ų10093.3 Ų93.352%0.52452%0.519SS..Hα-helixtrans-63.8-37.5174.3-71.4174.3000112.8L83 K85 A91L83-L87 HydrophobicContact CD2-CD1 3.89Å; L83-L87 HydrophobicContact CG-CD1 4.37Å; L83-L87 WeakPolarHBondContact O-CB 3.47Å; L83-L87 VanDerWaalsContact O-CG 3.28Å; L83-L87 WeakPolarHBondContact O-CG 3.23Å; L83-L87 PolarHBondContact O-N 3.48Å; L83-L87 VanDerWaalsContact O-N 3.11Å; K85-L87 VanDerWaalsContact C-N 3.32Å; K85-L87 PolarHBondContact O-N 2.58Å; L87-A91 WeakPolarHBondContact O-CB 3.16Å; L87-A91 PolarHBondContact O-N 2.96Å
88S87.3Confident82.9Confident73 Ų7393.3 Ų93.351%0.5152%0.517SS..Hα-helixtrans-66.9-42.3176.8-171.10000112.3C84 K85 T86 A91 L92C84-S88 PolarHBondContact O-N 3.37Å; C84-S88 VanDerWaalsContact O-N 3.17Å; K85-S88 PolarHBondContact O-N 3.43Å; T86-S88 VanDerWaalsContact C-N 3.34Å; T86-S88 PolarHBondContact O-N 3.4Å; S88-A91 PolarHBondContact O-N 2.86Å; S88-L92 PolarHBondContact O-N 3.26Å
89T84Confident84Confident86 Ų8693.8 Ų93.853%0.52852%0.517SS..Hα-helixtrans-67.8-40.3177.1-53.60000111.2K85 T86 A91 L92 V93K85-T89 PolarHBondContact O-N 2.85Å; K85-T89 VanDerWaalsContact O-N 3.07Å; K85-T89 PolarHBondContact O-OG1 2.95Å; T86-T89 PolarHBondContact O-N 2.93Å; T89-A91 VanDerWaalsContact C-N 3.29Å; T89-A91 PolarHBondContact O-N 2.88Å; T89-L92 PolarHBondContact O-N 2.84Å; T89-V93 WeakPolarHBondContact O-CG2 3.42Å; T89-V93 PolarHBondContact O-N 3.33Å
90L85.4Confident85.1Confident87 Ų8794.8 Ų94.846%0.45551%0.513SS..Hα-helixtrans-63.3-35.4176.1-172.5127.1000112.2T86 R94T86-L90 WeakPolarHBondContact O-CB 3.26Å; T86-L90 PolarHBondContact O-N 2.84Å; L90-R94 WeakPolarHBondContact O-CG 3.35Å; L90-R94 PolarHBondContact O-N 3.44Å; L90-R94 VanDerWaalsContact O-N 3.11Å
91A87.4Confident85.7Confident57 Ų5789.8 Ų89.847%0.47149%0.494SS..Hα-helixtrans-64.3-41.3173.600000112.4L87 S88 T89 R94 Q95L87-A91 WeakPolarHBondContact O-CB 3.16Å; L87-A91 PolarHBondContact O-N 2.96Å; S88-A91 PolarHBondContact O-N 2.86Å; T89-A91 VanDerWaalsContact C-N 3.29Å; T89-A91 PolarHBondContact O-N 2.88Å; A91-R94 PolarHBondContact O-N 2.75Å; A91-Q95 PolarHBondContact O-N 3.39Å
92L90.2Very high86.7Confident93 Ų9392.1 Ų92.149%0.48750%0.497SS..Hα-helixtrans-64.3-46176-72.9168.4000111.9S88 T89 R94 Q95 D96S88-L92 PolarHBondContact O-N 3.26Å; T89-L92 PolarHBondContact O-N 2.84Å; L92-R94 VanDerWaalsContact C-N 3.28Å; L92-R94 PolarHBondContact O-N 2.9Å; L92-Q95 WeakPolarHBondContact O-CB 3.47Å; L92-Q95 PolarHBondContact O-N 3.29Å; L92-D96 PolarHBondContact O-N 3.43Å
93V89.2Confident87.7Confident77 Ų7791.7 Ų91.747%0.46749%0.493SS..Hα-helixtrans-60.7-39.4178.3174.20000111.4T89 Q95 D96 L97T89-V93 WeakPolarHBondContact O-CG2 3.42Å; T89-V93 PolarHBondContact O-N 3.33Å; V93-Q95 VanDerWaalsContact C-N 3.33Å; V93-D96 PolarHBondContact O-N 2.9Å; V93-L97 HydrophobicContact CG1-CD1 4.15Å; V93-L97 WeakPolarHBondContact O-CG 3.36Å; V93-L97 PolarHBondContact O-N 3.39Å
94R88.7Confident88.2Confident167 Ų16790.3 Ų90.363%0.6349%0.489SS*.Hα-helixtrans-65-37.4175-77.4-177.9172171.6-0.6112.6L90 A91 L92 T98L90-R94 WeakPolarHBondContact O-CG 3.35Å; L90-R94 PolarHBondContact O-N 3.44Å; L90-R94 VanDerWaalsContact O-N 3.11Å; A91-R94 PolarHBondContact O-N 2.75Å; L92-R94 VanDerWaalsContact C-N 3.28Å; L92-R94 PolarHBondContact O-N 2.9Å; R94-T98 PolarHBondContact O-N 3.09Å; R94-T98 VanDerWaalsContact O-N 3.15Å; R94-T98 PolarHBondContact O-OG1 3.24Å
95Q93.6Very high88.7Confident116 Ų11694.2 Ų94.254%0.54250%0.495SS..Hα-helixtrans-65.2-49.3175.7-177.5178.2-10.400110.8A91 L92 V93 L97 T98 E99A91-Q95 PolarHBondContact O-N 3.39Å; L92-Q95 WeakPolarHBondContact O-CB 3.47Å; L92-Q95 PolarHBondContact O-N 3.29Å; V93-Q95 VanDerWaalsContact C-N 3.33Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-L97 PolarHBondContact O-N 3.06Å; Q95-T98 WeakPolarHBondContact O-CA 3.4Å; Q95-T98 WeakPolarHBondContact O-CB 3.42Å; Q95-T98 PolarHBondContact O-N 3.42Å; Q95-E99 PolarHBondContact O-N 2.97Å
96D92.6Very high89.1Confident96 Ų9693.4 Ų93.451%0.51350%0.497SS..Hα-helixtrans-60.6-40.4-179.6-68.9-7.3000111.9L92 V93 T98 E99 F100L92-D96 PolarHBondContact O-N 3.43Å; V93-D96 PolarHBondContact O-N 2.9Å; D96-T98 VanDerWaalsContact C-N 3.31Å; D96-T98 PolarHBondContact O-N 2.71Å; D96-E99 PolarHBondContact O-N 2.81Å; D96-F100 VanDerWaalsContact O-CB 3.27Å; D96-F100 WeakPolarHBondContact O-CB 3.5Å; D96-F100 PolarHBondContact O-N 3.34Å
97L89.9Confident89.5Confident105 Ų10596.2 Ų96.255%0.5550%0.504SS..Hα-helixtrans-65.8-34.1175.3-73.4173000112.7V93 Q95 G101V93-L97 HydrophobicContact CG1-CD1 4.15Å; V93-L97 WeakPolarHBondContact O-CG 3.36Å; V93-L97 PolarHBondContact O-N 3.39Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-L97 PolarHBondContact O-N 3.06Å; L97-G101 PolarHBondContact O-N 3.29Å
98T88.9Confident89.6Confident83 Ų8393 Ų9351%0.50949%0.494SS..Hα-helixtrans-69.6-46.8176.3-55.20000110.4R94 Q95 D96 F100 G101 E102R94-T98 PolarHBondContact O-N 3.09Å; R94-T98 VanDerWaalsContact O-N 3.15Å; R94-T98 PolarHBondContact O-OG1 3.24Å; Q95-T98 WeakPolarHBondContact O-CA 3.4Å; Q95-T98 WeakPolarHBondContact O-CB 3.42Å; Q95-T98 PolarHBondContact O-N 3.42Å; D96-T98 VanDerWaalsContact C-N 3.31Å; D96-T98 PolarHBondContact O-N 2.71Å; T98-F100 PolarHBondContact O-N 3.41Å; T98-G101 PolarHBondContact O-N 2.95Å; T98-G101 VanDerWaalsContact O-N 3.16Å; T98-E102 WeakPolarHBondContact O-CG 3.4Å; T98-E102 PolarHBondContact O-N 3.16Å
99E94.5Very high89.6Confident122 Ų12292.5 Ų92.557%0.5749%0.491SS*.Hα-helixtrans-62.6-41.9177.6-173.2172.1175.900111.5Q95 D96 G101 E102 A103Q95-E99 PolarHBondContact O-N 2.97Å; D96-E99 PolarHBondContact O-N 2.81Å; E99-G101 PolarHBondContact O-N 3.48Å; E99-E102 PolarHBondContact O-N 2.99Å; E99-A103 WeakPolarHBondContact O-CB 3.4Å; E99-A103 PolarHBondContact O-N 2.9Å
100F92.8Very high89.9Confident126 Ų12691.5 Ų91.555%0.55349%0.488SS*.Hα-helixtrans-60.8-43.9172.7179.3-104.3000112D96 T98 E102 A103 V104D96-F100 VanDerWaalsContact O-CB 3.27Å; D96-F100 WeakPolarHBondContact O-CB 3.5Å; D96-F100 PolarHBondContact O-N 3.34Å; T98-F100 PolarHBondContact O-N 3.41Å; F100-E102 VanDerWaalsContact C-N 3.31Å; F100-E102 PolarHBondContact O-N 3.36Å; F100-A103 PolarHBondContact O-N 3.43Å; F100-V104 HydrophobicContact CD1-CG2 4.34Å; F100-V104 HydrophobicContact CD2-CG2 4.34Å; F100-V104 HydrophobicContact CE1-CG2 3.92Å; F100-V104 HydrophobicContact CE2-CG2 3.91Å; F100-V104 HydrophobicContact CZ-CG2 3.69Å; F100-V104 WeakPolarHBondContact O-CG2 3.36Å; F100-V104 PolarHBondContact O-N 3.38Å
101G88Confident90Very high18 Ų1891.9 Ų91.919%0.18649%0.49CS..Hα-helixtrans-64-33.8177.300000113.5L97 T98 E99 R105L97-G101 PolarHBondContact O-N 3.29Å; T98-G101 PolarHBondContact O-N 2.95Å; T98-G101 VanDerWaalsContact O-N 3.16Å; E99-G101 PolarHBondContact O-N 3.48Å; G101-R105 WeakPolarHBondContact O-CB 3.46Å; G101-R105 PolarHBondContact O-N 2.94Å
102E92.5Very high89.6Confident99 Ų9993.4 Ų93.446%0.46349%0.488SS..Hα-helixtrans-71.6-46.2173.5-71.4-178.3170.200111.6T98 E99 F100 V104 R105 D106T98-E102 WeakPolarHBondContact O-CG 3.4Å; T98-E102 PolarHBondContact O-N 3.16Å; E99-E102 PolarHBondContact O-N 2.99Å; F100-E102 VanDerWaalsContact C-N 3.31Å; F100-E102 PolarHBondContact O-N 3.36Å; E102-V104 PolarHBondContact O-N 3.27Å; E102-R105 WeakPolarHBondContact O-CB 3.43Å; E102-R105 PolarHBondContact O-N 2.99Å; E102-R105 VanDerWaalsContact O-N 3.09Å; E102-D106 PolarHBondContact O-N 2.94Å
103A92.1Very high89.3Confident47 Ų4792.2 Ų92.239%0.38849%0.487SS..Hα-helixtrans-58.4-46177.200000112.2E99 F100 R105 D106 E107E99-A103 WeakPolarHBondContact O-CB 3.4Å; E99-A103 PolarHBondContact O-N 2.9Å; F100-A103 PolarHBondContact O-N 3.43Å; A103-R105 VanDerWaalsContact C-N 3.29Å; A103-R105 PolarHBondContact O-N 2.97Å; A103-D106 PolarHBondContact O-N 3.05Å; A103-E107 WeakPolarHBondContact O-CB 3.29Å; A103-E107 WeakPolarHBondContact O-CG 3.36Å; A103-E107 PolarHBondContact O-N 3.36Å
104V89Confident89.1Confident67 Ų6794.9 Ų94.941%0.40650%0.496SS..Hα-helixtrans-63.3-36.3176.61720000111.6F100 E102 G108F100-V104 HydrophobicContact CD1-CG2 4.34Å; F100-V104 HydrophobicContact CD2-CG2 4.34Å; F100-V104 HydrophobicContact CE1-CG2 3.92Å; F100-V104 HydrophobicContact CE2-CG2 3.91Å; F100-V104 HydrophobicContact CZ-CG2 3.69Å; F100-V104 WeakPolarHBondContact O-CG2 3.36Å; F100-V104 PolarHBondContact O-N 3.38Å; E102-V104 PolarHBondContact O-N 3.27Å; V104-G108 WeakPolarHBondContact O-CA 3.18Å; V104-G108 PolarHBondContact O-N 3.46Å
105R86.8Confident88.5Confident144 Ų14489.7 Ų89.754%0.54348%0.483SS..Hα-helixtrans-69.3-41.5177.7-170.1-171.8-54138.98111.7G101 E102 A103 S109G101-R105 WeakPolarHBondContact O-CB 3.46Å; G101-R105 PolarHBondContact O-N 2.94Å; E102-R105 WeakPolarHBondContact O-CB 3.43Å; E102-R105 PolarHBondContact O-N 2.99Å; E102-R105 VanDerWaalsContact O-N 3.09Å; A103-R105 VanDerWaalsContact C-N 3.29Å; A103-R105 PolarHBondContact O-N 2.97Å; R105-S109 WeakPolarHBondContact O-CB 3.1Å; R105-S109 PolarHBondContact O-N 2.98Å; R105-S109 PolarHBondContact O-OG 2.56Å
106D92.7Very high87.8Confident112 Ų11287 Ų8760%0.59948%0.475SS*.Hα-helixtrans-69.7-44.7179.5-75.5-6.6000111.2E102 A103 S109 S110E102-D106 PolarHBondContact O-N 2.94Å; A103-D106 PolarHBondContact O-N 3.05Å; D106-S109 PolarHBondContact O-N 3.03Å; D106-S110 WeakPolarHBondContact O-CB 3.34Å; D106-S110 PolarHBondContact O-N 3.27Å
107E90.1Very high87.2Confident146 Ų14687.5 Ų87.568%0.68248%0.477SS*.Hα-helixtrans-64.2-41.6173.4-73.7-169.7173.600111.7A103 S109 S110 L111A103-E107 WeakPolarHBondContact O-CB 3.29Å; A103-E107 WeakPolarHBondContact O-CG 3.36Å; A103-E107 PolarHBondContact O-N 3.36Å; E107-S109 VanDerWaalsContact C-N 3.32Å; E107-S109 PolarHBondContact O-N 2.88Å; E107-S110 PolarHBondContact O-N 2.87Å; E107-L111 WeakPolarHBondContact O-CB 3.33Å; E107-L111 PolarHBondContact O-N 3.44Å
108G86.5Confident86.7Confident32 Ų3285.6 Ų85.633%0.3348%0.477SS..Hα-helixtrans-60.3-40.6174.400000112.5V104 L111 M112V104-G108 WeakPolarHBondContact O-CA 3.18Å; V104-G108 PolarHBondContact O-N 3.46Å; G108-L111 PolarHBondContact O-N 3.48Å; G108-M112 WeakPolarHBondContact O-CG 3.41Å; G108-M112 PolarHBondContact O-N 2.92Å
109S86.3Confident85.4Confident62 Ų6283.1 Ų83.143%0.43446%0.46SS..Hα-helixtrans-70.3-37.8177.4-59.90000112.3R105 D106 E107 M112 S113R105-S109 WeakPolarHBondContact O-CB 3.1Å; R105-S109 PolarHBondContact O-N 2.98Å; R105-S109 PolarHBondContact O-OG 2.56Å; D106-S109 PolarHBondContact O-N 3.03Å; E107-S109 VanDerWaalsContact C-N 3.32Å; E107-S109 PolarHBondContact O-N 2.88Å; S109-M112 PolarHBondContact O-N 2.96Å; S109-S113 PolarHBondContact O-N 3.46Å; S109-S113 PolarHBondContact O-OG 3.03Å
110S90.5Very high84.3Confident66 Ų6686.7 Ų86.746%0.46247%0.469SS..Hα-helixtrans-64.5-46.1173.5-172.40000111D106 E107 M112 S113 M114D106-S110 WeakPolarHBondContact O-CB 3.34Å; D106-S110 PolarHBondContact O-N 3.27Å; E107-S110 PolarHBondContact O-N 2.87Å; S110-M112 VanDerWaalsContact C-N 3.32Å; S110-M112 PolarHBondContact O-N 3.11Å; S110-S113 WeakPolarHBondContact O-CB 3.33Å; S110-S113 PolarHBondContact O-N 2.91Å; S110-S113 VanDerWaalsContact O-N 3.08Å; S110-M114 WeakPolarHBondContact O-CG 3.32Å; S110-M114 PolarHBondContact O-N 3.06Å
111L87.1Confident83.3Confident95 Ų9587.3 Ų87.350%0.49748%0.478SS..Hα-helixtrans-61.5-40176.1-174.365.7000111.7E107 G108 M114 T115E107-L111 WeakPolarHBondContact O-CB 3.33Å; E107-L111 PolarHBondContact O-N 3.44Å; G108-L111 PolarHBondContact O-N 3.48Å; L111-M114 PolarHBondContact O-N 2.79Å; L111-T115 VanDerWaalsContact O-CB 3.23Å; L111-T115 WeakPolarHBondContact O-CB 3.45Å; L111-T115 PolarHBondContact O-N 2.85Å; L111-T115 PolarHBondContact O-OG1 3.43Å
112M80.3Confident82.3Confident89 Ų8992.8 Ų92.844%0.43850%0.498SS..Hα-helixtrans-62.2-42172.7-79.5-166.9179.500111.9G108 S109 S110 T115 T116 M133G108-M112 WeakPolarHBondContact O-CG 3.41Å; G108-M112 PolarHBondContact O-N 2.92Å; S109-M112 PolarHBondContact O-N 2.96Å; S110-M112 VanDerWaalsContact C-N 3.32Å; S110-M112 PolarHBondContact O-N 3.11Å; M112-T115 PolarHBondContact O-N 3.15Å; M112-T116 VanDerWaalsContact O-CB 3.26Å; M112-T116 WeakPolarHBondContact O-CB 3.46Å; M112-T116 WeakPolarHBondContact O-CG2 3.43Å; M112-T116 PolarHBondContact O-N 2.78Å; M112-T116 PolarHBondContact O-OG1 3.03Å; M112-M133 HydrophobicContact CE-CB 4.3Å; M112-M133 HydrophobicContact CE-CG 3.56Å
113S84Confident80.7Confident67 Ų6792.5 Ų92.547%0.46951%0.513SS..Hα-helixtrans-66.2-38.1178.1-60.30000111.8S109 S110 T116 N117S109-S113 PolarHBondContact O-N 3.46Å; S109-S113 PolarHBondContact O-OG 3.03Å; S110-S113 WeakPolarHBondContact O-CB 3.33Å; S110-S113 PolarHBondContact O-N 2.91Å; S110-S113 VanDerWaalsContact O-N 3.08Å; S113-T116 WeakPolarHBondContact CA-OG1 3.37Å; S113-T116 PolarHBondContact O-OG1 3.24Å; S113-N117 WeakPolarHBondContact O-CB 3.37Å; S113-N117 VanDerWaalsContact O-CG 3.28Å; S113-N117 PolarHBondContact O-N 2.89Å; S113-N117 PolarHBondContact O-ND2 3.11Å
114M83.9Confident79.6Confident133 Ų13394.2 Ų94.266%0.65554%0.536SS*.Hα-helixtrans-70.4-43.4175.5-66.5-172.885.400111.8S110 L111 N117 A118S110-M114 WeakPolarHBondContact O-CG 3.32Å; S110-M114 PolarHBondContact O-N 3.06Å; L111-M114 PolarHBondContact O-N 2.79Å; M114-N117 PolarHBondContact O-N 3.41Å; M114-A118 WeakPolarHBondContact O-CB 3.09Å; M114-A118 PolarHBondContact O-N 3.17Å
115T77.5Confident78.7Confident59 Ų5994.3 Ų94.336%0.36254%0.539SS..Hα-helixtrans-69.6-39.2-178.8-56.20000111.7L111 M112 A118 L119L111-T115 VanDerWaalsContact O-CB 3.23Å; L111-T115 WeakPolarHBondContact O-CB 3.45Å; L111-T115 PolarHBondContact O-N 2.85Å; L111-T115 PolarHBondContact O-OG1 3.43Å; M112-T115 PolarHBondContact O-N 3.15Å; T115-A118 PolarHBondContact O-N 3.06Å; T115-L119 HydrophobicContact CG2-CD1 3.53Å; T115-L119 HydrophobicContact CG2-CG 4.09Å; T115-L119 VanDerWaalsContact O-CB 3.23Å; T115-L119 WeakPolarHBondContact O-CB 3.48Å; T115-L119 WeakPolarHBondContact O-CG 3.27Å; T115-L119 PolarHBondContact O-N 3.32Å
116T78.6Confident78Confident58 Ų5892.3 Ų92.336%0.35653%0.534SS..Hα-helixtrans-63.2-41.2174.447.60000111.4M112 S113 R120 F126M112-T116 VanDerWaalsContact O-CB 3.26Å; M112-T116 WeakPolarHBondContact O-CB 3.46Å; M112-T116 WeakPolarHBondContact O-CG2 3.43Å; M112-T116 PolarHBondContact O-N 2.78Å; M112-T116 PolarHBondContact O-OG1 3.03Å; S113-T116 WeakPolarHBondContact CA-OG1 3.37Å; S113-T116 PolarHBondContact O-OG1 3.24Å; T116-R120 VanDerWaalsContact O-CB 3.29Å; T116-R120 WeakPolarHBondContact O-CB 3.23Å; T116-R120 PolarHBondContact O-N 3.35Å; T116-F126 HydrophobicContact CG2-CE2 3.76Å; T116-F126 HydrophobicContact CG2-CZ 4.1Å
117N79.2Confident77.4Confident107 Ų10794.1 Ų94.157%0.57254%0.539SS*.Hα-helixtrans-66.6-42.8176.1-74.3-31.9000112.5S113 M114S113-N117 WeakPolarHBondContact O-CB 3.37Å; S113-N117 VanDerWaalsContact O-CG 3.28Å; S113-N117 PolarHBondContact O-N 2.89Å; S113-N117 PolarHBondContact O-ND2 3.11Å; M114-N117 PolarHBondContact O-N 3.41Å
118A78.6Confident76.9Confident65 Ų6590.6 Ų90.654%0.53754%0.535SS..Hα-helixtrans-70.2-35.8178.300000113.3M114 T115M114-A118 WeakPolarHBondContact O-CB 3.09Å; M114-A118 PolarHBondContact O-N 3.17Å; T115-A118 PolarHBondContact O-N 3.06Å
119L62.9Low76.4Confident32 Ų3291.2 Ų91.217%0.16854%0.537CS..Hα-helixtrans-87-18.1-178.9-70.4177.4000113.8T115 D121 Q122T115-L119 HydrophobicContact CG2-CD1 3.53Å; T115-L119 HydrophobicContact CG2-CG 4.09Å; T115-L119 VanDerWaalsContact O-CB 3.23Å; T115-L119 WeakPolarHBondContact O-CB 3.48Å; T115-L119 WeakPolarHBondContact O-CG 3.27Å; T115-L119 PolarHBondContact O-N 3.32Å; L119-D121 PolarHBondContact O-N 3.46Å; L119-D121 VanDerWaalsContact O-N 3.14Å; L119-Q122 CarbonylContact O-C 3.5Å; L119-Q122 WeakPolarHBondContact O-CA 3.43Å; L119-Q122 PolarHBondContact O-N 2.93Å
120R71.9Confident76.1Confident197 Ų19791 Ų9174%0.74354%0.536SS*.Hα-helixtrans-58-25.9171.3-166.6170.981.9161.94.3111.5T116 Q122T116-R120 VanDerWaalsContact O-CB 3.29Å; T116-R120 WeakPolarHBondContact O-CB 3.23Å; T116-R120 PolarHBondContact O-N 3.35Å; R120-Q122 VanDerWaalsContact C-N 3.32Å
121D70.9Confident75.9Confident139 Ų13992.6 Ų92.674%0.74354%0.539SS*.THydrogen-bonded Turntrans-79.1-12.8173.7-62.4-19.7000113.1L119L119-D121 PolarHBondContact O-N 3.46Å; L119-D121 VanDerWaalsContact O-N 3.14Å
122Q66.3Low75.7Confident132 Ų13295.2 Ų95.262%0.61755%0.55SS**SBendtrans-122.866.1175.8-73.2-173.4-1.800111.2L119 R120 G124 S125L119-Q122 CarbonylContact O-C 3.5Å; L119-Q122 WeakPolarHBondContact O-CA 3.43Å; L119-Q122 PolarHBondContact O-N 2.93Å; R120-Q122 VanDerWaalsContact C-N 3.32Å; Q122-G124 PolarHBondContact O-N 2.93Å; Q122-S125 PolarHBondContact O-N 3.3Å
123A58.8Low75.9Confident94 Ų9494.8 Ų94.878%0.77755%0.549SS*.THydrogen-bonded Turntrans-54.9-2-168.700000118.4
124G70.4Confident76.1Confident83 Ų8397.8 Ų97.886%0.85655%0.553SS**THydrogen-bonded Turntrans-96.6-22.9-178.100000116.3Q122Q122-G124 PolarHBondContact O-N 2.93Å
125S70Confident76.5Confident69 Ų6994.8 Ų94.848%0.48355%0.545SS..SBendtrans-102.53.3-168.6-1730000114.7Q122Q122-S125 PolarHBondContact O-N 3.3Å
126F72.3Confident76.9Confident101 Ų10198.2 Ų98.244%0.44356%0.556SS.*Hα-helixtrans-70.7-40.2-166.3-174.6-105.6000114T116 A128 S130T116-F126 HydrophobicContact CG2-CE2 3.76Å; T116-F126 HydrophobicContact CG2-CZ 4.1Å; F126-A128 PolarHBondContact O-N 3.37Å; F126-S130 WeakPolarHBondContact O-CB 3.36Å; F126-S130 PolarHBondContact O-N 3.22Å; F126-S130 VanDerWaalsContact O-N 3.12Å
127E79.6Confident77.3Confident151 Ų15199 Ų9971%0.70656%0.56SS**Hα-helixtrans-70.1-38.7-170-158.7178.8-167.400112.6N131E127-N131 PolarHBondContact O-N 2.98Å; E127-N131 VanDerWaalsContact O-N 3.16Å; E127-N131 PolarHBondContact O-ND2 2.93Å
128A79Confident77.7Confident72 Ų7298.3 Ų98.360%0.59556%0.556SS**Hα-helixtrans-68.6-42.4179.100000112.6F126 N131 M132F126-A128 PolarHBondContact O-N 3.37Å; A128-N131 PolarHBondContact O-N 2.72Å; A128-M132 PolarHBondContact O-N 3.11Å; A128-M132 VanDerWaalsContact O-N 3.08Å
129A76.1Confident78.1Confident44 Ų4498.9 Ų98.936%0.36455%0.553SS.*Hα-helixtrans-67.7-39.7179.200000111.8M132 M133A129-M132 PolarHBondContact O-N 2.99Å; A129-M133 WeakPolarHBondContact O-CB 3.34Å; A129-M133 PolarHBondContact O-N 3.39Å
130S80.4Confident79Confident59 Ų5999.8 Ų99.841%0.41356%0.56SS.*Hα-helixtrans-61.9-44.1176.2-175.80000111.8F126 M133 K134F126-S130 WeakPolarHBondContact O-CB 3.36Å; F126-S130 PolarHBondContact O-N 3.22Å; F126-S130 VanDerWaalsContact O-N 3.12Å; S130-M133 PolarHBondContact O-N 3.28Å; S130-K134 WeakPolarHBondContact O-CB 3.43Å; S130-K134 PolarHBondContact O-N 3.41Å
131N86.5Confident79.6Confident99 Ų9992.7 Ų92.753%0.52954%0.541SS..Hα-helixtrans-67.2-40179-72.9-23.5000112.9E127 A128 S135E127-N131 PolarHBondContact O-N 2.98Å; E127-N131 VanDerWaalsContact O-N 3.16Å; E127-N131 PolarHBondContact O-ND2 2.93Å; A128-N131 PolarHBondContact O-N 2.72Å; N131-S135 PolarHBondContact O-N 3.41Å
132M83.2Confident80.1Confident149 Ų14993 Ų9373%0.73453%0.532SS*.Hα-helixtrans-65.7-43.1177.3-171-178.8-73.900111.6A128 A129 S135 F136A128-M132 PolarHBondContact O-N 3.11Å; A128-M132 VanDerWaalsContact O-N 3.08Å; A129-M132 PolarHBondContact O-N 2.99Å; M132-S135 WeakPolarHBondContact O-CB 3.34Å; M132-S135 PolarHBondContact O-N 3.46Å; M132-F136 PolarHBondContact O-N 2.96Å
133M83.2Confident80.9Confident81 Ų8191.1 Ų91.140%0.39953%0.529SS..Hα-helixtrans-68-39.7178.9-166.466.27300111.7M112 A129 S130 S135 F136 V137M112-M133 HydrophobicContact CE-CB 4.3Å; M112-M133 HydrophobicContact CE-CG 3.56Å; A129-M133 WeakPolarHBondContact O-CB 3.34Å; A129-M133 PolarHBondContact O-N 3.39Å; S130-M133 PolarHBondContact O-N 3.28Å; M133-S135 VanDerWaalsContact C-N 3.33Å; M133-S135 PolarHBondContact O-N 3.19Å; M133-F136 PolarHBondContact O-N 3.07Å; M133-F136 VanDerWaalsContact O-N 3.14Å; M133-V137 WeakPolarHBondContact O-CG2 3.48Å; M133-V137 PolarHBondContact O-N 3.23Å
134K89.1Confident81.9Confident129 Ų12991.4 Ų91.456%0.56152%0.518SS*.Hα-helixtrans-60.2-44174.7-172166-177.9157.50111.5S130 F136 V137 D138S130-K134 WeakPolarHBondContact O-CB 3.43Å; S130-K134 PolarHBondContact O-N 3.41Å; K134-F136 VanDerWaalsContact C-N 3.3Å; K134-F136 PolarHBondContact O-N 3.22Å; K134-V137 PolarHBondContact O-N 3.49Å; K134-D138 WeakPolarHBondContact O-CB 3.47Å; K134-D138 VanDerWaalsContact O-CG 3.22Å; K134-D138 PolarHBondContact O-N 2.84Å
135S91Very high82.3Confident71 Ų7195.2 Ų95.250%0.49751%0.511SS..Hα-helixtrans-60.6-37.9173.7-175.20000112.8N131 M132 M133 T139N131-S135 PolarHBondContact O-N 3.41Å; M132-S135 WeakPolarHBondContact O-CB 3.34Å; M132-S135 PolarHBondContact O-N 3.46Å; M133-S135 VanDerWaalsContact C-N 3.33Å; M133-S135 PolarHBondContact O-N 3.19Å; S135-T139 WeakPolarHBondContact O-CB 3.4Å; S135-T139 PolarHBondContact O-N 2.84Å; S135-T139 PolarHBondContact O-OG1 3.49Å
136F85.8Confident82.8Confident131 Ų13196.4 Ų96.458%0.57551%0.509SS*.Hα-helixtrans-68.3-47.5177.3-178.4-99.2000111.7M132 M133 K134 D138 T139 V140M132-F136 PolarHBondContact O-N 2.96Å; M133-F136 PolarHBondContact O-N 3.07Å; M133-F136 VanDerWaalsContact O-N 3.14Å; K134-F136 VanDerWaalsContact C-N 3.3Å; K134-F136 PolarHBondContact O-N 3.22Å; F136-D138 VanDerWaalsContact C-N 3.33Å; F136-D138 PolarHBondContact O-N 3.19Å; F136-T139 PolarHBondContact O-N 3.1Å; F136-T139 VanDerWaalsContact O-N 3.17Å; F136-V140 HydrophobicContact CD1-CG2 4.2Å; F136-V140 HydrophobicContact CE1-CG2 3.77Å; F136-V140 HydrophobicContact CE2-CG2 4.14Å; F136-V140 HydrophobicContact CZ-CG2 3.74Å; F136-V140 WeakPolarHBondContact O-CG2 3.44Å; F136-V140 PolarHBondContact O-N 3.38Å
137V87.3Confident82.7Confident73 Ų7396.5 Ų96.544%0.44251%0.514SS..Hα-helixtrans-60.9-42.7176.6173.20000110.8M133 K134 T139 V140 S141M133-V137 WeakPolarHBondContact O-CG2 3.48Å; M133-V137 PolarHBondContact O-N 3.23Å; K134-V137 PolarHBondContact O-N 3.49Å; V137-T139 VanDerWaalsContact C-N 3.32Å; V137-T139 PolarHBondContact O-N 3.26Å; V137-V140 PolarHBondContact O-N 3.18Å; V137-S141 WeakPolarHBondContact O-CB 3.46Å; V137-S141 PolarHBondContact O-N 3.12Å
138D89Confident82.4Confident93 Ų9395.2 Ų95.250%0.49752%0.517SS..Hα-helixtrans-64.2-37.8176.6-71.7-17.9000111.4K134 F136 Y142K134-D138 WeakPolarHBondContact O-CB 3.47Å; K134-D138 VanDerWaalsContact O-CG 3.22Å; K134-D138 PolarHBondContact O-N 2.84Å; F136-D138 VanDerWaalsContact C-N 3.33Å; F136-D138 PolarHBondContact O-N 3.19Å; D138-Y142 VanDerWaalsContact O-CB 3.29Å; D138-Y142 WeakPolarHBondContact O-CB 3.41Å; D138-Y142 PolarHBondContact O-N 3.19Å
139T86.1Confident82.1Confident78 Ų7895 Ų9548%0.47951%0.508SS..Hα-helixtrans-69.1-45.4177.2-55.30000111.8S135 F136 V137 S141 Y142 V143S135-T139 WeakPolarHBondContact O-CB 3.4Å; S135-T139 PolarHBondContact O-N 2.84Å; S135-T139 PolarHBondContact O-OG1 3.49Å; F136-T139 PolarHBondContact O-N 3.1Å; F136-T139 VanDerWaalsContact O-N 3.17Å; V137-T139 VanDerWaalsContact C-N 3.32Å; V137-T139 PolarHBondContact O-N 3.26Å; T139-S141 VanDerWaalsContact C-N 3.33Å; T139-Y142 PolarHBondContact O-N 2.78Å; T139-V143 WeakPolarHBondContact O-CG2 3.45Å; T139-V143 PolarHBondContact O-N 2.88Å
140V82.2Confident82.3Confident50 Ų50101.6 Ų101.630%0.30353%0.529SS..Hα-helixtrans-64.8-40.6176.9172.70000110.5F136 V137 Y142 V143 L144F136-V140 HydrophobicContact CD1-CG2 4.2Å; F136-V140 HydrophobicContact CE1-CG2 3.77Å; F136-V140 HydrophobicContact CE2-CG2 4.14Å; F136-V140 HydrophobicContact CZ-CG2 3.74Å; F136-V140 WeakPolarHBondContact O-CG2 3.44Å; F136-V140 PolarHBondContact O-N 3.38Å; V137-V140 PolarHBondContact O-N 3.18Å; V140-Y142 VanDerWaalsContact C-N 3.34Å; V140-V143 PolarHBondContact O-N 3Å; V140-L144 HydrophobicContact CG1-CD1 3.78Å; V140-L144 HydrophobicContact CG1-CG 4.35Å; V140-L144 WeakPolarHBondContact O-CB 3.5Å; V140-L144 WeakPolarHBondContact O-CG 3.4Å; V140-L144 PolarHBondContact O-N 2.86Å
141S83.4Confident82.3Confident49 Ų49100 Ų10034%0.34352%0.521SS..Hα-helixtrans-62.6-42.6174.6-165.80000111V137 T139 L144 F145V137-S141 WeakPolarHBondContact O-CB 3.46Å; V137-S141 PolarHBondContact O-N 3.12Å; T139-S141 VanDerWaalsContact C-N 3.33Å; S141-L144 PolarHBondContact O-N 3Å; S141-F145 WeakPolarHBondContact O-CB 3.39Å; S141-F145 WeakPolarHBondContact O-CD2 3.39Å; S141-F145 PolarHBondContact O-N 3.45Å; S141-F145 WeakPolarHBondContact OG-CD2 3.42Å; S141-F145 WeakPolarHBondContact OG-CE2 3.48Å
142Y83.4Confident81.9Confident145 Ų145100.6 Ų100.657%0.56952%0.52SS*.Hα-helixtrans-60.6-48176-174.6-94.7000111.2D138 T139 V140 L144 F145 E146D138-Y142 VanDerWaalsContact O-CB 3.29Å; D138-Y142 WeakPolarHBondContact O-CB 3.41Å; D138-Y142 PolarHBondContact O-N 3.19Å; T139-Y142 PolarHBondContact O-N 2.78Å; V140-Y142 VanDerWaalsContact C-N 3.34Å; Y142-L144 VanDerWaalsContact C-N 3.35Å; Y142-L144 PolarHBondContact O-N 2.91Å; Y142-F145 PolarHBondContact O-N 3.41Å; Y142-E146 HydrophobicContact CE1-CG 4.41Å; Y142-E146 WeakPolarHBondContact CE1-OE1 3.44Å; Y142-E146 WeakPolarHBondContact CE1-OE2 3.41Å; Y142-E146 VanDerWaalsContact O-CB 3.23Å; Y142-E146 WeakPolarHBondContact O-CB 3.21Å; Y142-E146 PolarHBondContact O-N 3.41Å; Y142-E146 PolarHBondContact OH-OE1 2.7Å
143V81.4Confident81.6Confident92 Ų92100 Ų10056%0.55852%0.516SS*.Hα-helixtrans-65.6-33.4180173.50000113T139 V140T139-V143 WeakPolarHBondContact O-CG2 3.45Å; T139-V143 PolarHBondContact O-N 2.88Å; V140-V143 PolarHBondContact O-N 3Å
144L81Confident81.5Confident101 Ų101103.3 Ų103.353%0.52953%0.534SS..Hα-helixtrans-78.7-26.4178.8-73.6172.4000113.6V140 S141 Y142V140-L144 HydrophobicContact CG1-CD1 3.78Å; V140-L144 HydrophobicContact CG1-CG 4.35Å; V140-L144 WeakPolarHBondContact O-CB 3.5Å; V140-L144 WeakPolarHBondContact O-CG 3.4Å; V140-L144 PolarHBondContact O-N 2.86Å; S141-L144 PolarHBondContact O-N 3Å; Y142-L144 VanDerWaalsContact C-N 3.35Å; Y142-L144 PolarHBondContact O-N 2.91Å
145F78.9Confident80.9Confident162 Ų162105.2 Ų105.271%0.71154%0.543SS*.Hα-helixtrans-103.6-12.5-179.9-69.2-63.4000114.1S141 Y142 D147S141-F145 WeakPolarHBondContact O-CB 3.39Å; S141-F145 WeakPolarHBondContact O-CD2 3.39Å; S141-F145 PolarHBondContact O-N 3.45Å; S141-F145 WeakPolarHBondContact OG-CD2 3.42Å; S141-F145 WeakPolarHBondContact OG-CE2 3.48Å; Y142-F145 PolarHBondContact O-N 3.41Å; F145-D147 PolarHBondContact O-N 3.44Å
146E79.1Confident80.2Confident95 Ų95109 Ų10944%0.44455%0.553SS.*SBendtrans-65.3103.9168.3-159.9164.8-142.800106.5Y142 T148Y142-E146 HydrophobicContact CE1-CG 4.41Å; Y142-E146 WeakPolarHBondContact CE1-OE1 3.44Å; Y142-E146 WeakPolarHBondContact CE1-OE2 3.41Å; Y142-E146 VanDerWaalsContact O-CB 3.23Å; Y142-E146 WeakPolarHBondContact O-CB 3.21Å; Y142-E146 PolarHBondContact O-N 3.41Å; Y142-E146 PolarHBondContact OH-OE1 2.7Å; E146-T148 WeakPolarHBondContact O-CG2 3.32Å; E146-T148 PolarHBondContact O-N 3.11Å
147D72.1Confident79.7Confident103 Ų103110.9 Ų110.955%0.55156%0.563SS**  trans-61.586.9-177.7-165.80.2000108.4F145 T149 K150F145-D147 PolarHBondContact O-N 3.44Å; D147-T149 VanDerWaalsContact CG-OG1 3.29Å; D147-T149 PolarHBondContact O-N 3.17Å; D147-T149 WeakPolarHBondContact OD1-CB 3.15Å; D147-T149 PolarHBondContact OD1-OG1 3.15Å; D147-K150 WeakPolarHBondContact O-CB 3.28Å; D147-K150 PolarHBondContact O-N 3.45Å
148T71.6Confident78.9Confident124 Ų124112.5 Ų112.576%0.76158%0.575SS**THydrogen-bonded Turntrans-63.7-7.2-178.556.50000111.7E146 K150E146-T148 WeakPolarHBondContact O-CG2 3.32Å; E146-T148 PolarHBondContact O-N 3.11Å; T148-K150 VanDerWaalsContact C-N 3.27Å
149T74.2Confident78Confident67 Ų67116 Ų11641%0.41159%0.593SS.*THydrogen-bonded Turntrans-76.8-13.417373.70000112.7D147 G151 E152D147-T149 VanDerWaalsContact CG-OG1 3.29Å; D147-T149 PolarHBondContact O-N 3.17Å; D147-T149 WeakPolarHBondContact OD1-CB 3.15Å; D147-T149 PolarHBondContact OD1-OG1 3.15Å; T149-G151 PolarHBondContact O-N 3.19Å; T149-E152 WeakPolarHBondContact O-CB 3.46Å; T149-E152 PolarHBondContact O-N 2.93Å
150K79Confident77.3Confident183 Ų183117.4 Ų117.480%0.79660%0.601SS**THydrogen-bonded Turntrans-66.9105.9-179.8-144.8178.5-167.5178.50110.1D147 T148D147-K150 WeakPolarHBondContact O-CB 3.28Å; D147-K150 PolarHBondContact O-N 3.45Å; T148-K150 VanDerWaalsContact C-N 3.27Å
151G80.7Confident76.4Confident24 Ų24118.9 Ų118.925%0.24762%0.618CS.*THydrogen-bonded Turntrans101.2-4.6-174.900000115.4T149 E153 L154T149-G151 PolarHBondContact O-N 3.19Å; G151-E153 WeakPolarHBondContact CA-OE1 3.48Å; G151-E153 PolarHBondContact N-OE1 3.3Å; G151-E153 PolarHBondContact O-N 3.17Å; G151-L154 PolarHBondContact O-N 2.81Å
152E77.6Confident75.5Confident112 Ų112122.3 Ų122.352%0.52363%0.632SS.*G310 helixtrans-67.5-25.3173.7-161.2176.6-168.500111.5T149 L154 F155 E156T149-E152 WeakPolarHBondContact O-CB 3.46Å; T149-E152 PolarHBondContact O-N 2.93Å; E152-L154 PolarHBondContact O-N 3.37Å; E152-F155 PolarHBondContact O-N 3.22Å; E152-E156 PolarHBondContact O-N 3.07Å
153E78Confident74.4Confident136 Ų136121.6 Ų121.664%0.63665%0.649SS**G310 helixtrans-58.4-17.7173.154.3-110155.200114.7G151 F155G151-E153 WeakPolarHBondContact CA-OE1 3.48Å; G151-E153 PolarHBondContact N-OE1 3.3Å; G151-E153 PolarHBondContact O-N 3.17Å; E153-F155 VanDerWaalsContact C-N 3.32Å
154L80.8Confident73.4Confident151 Ų151121.8 Ų121.879%0.79165%0.654SS**G310 helixtrans-78.6-15.4172.6-76.6156.4000113.2G151 E152G151-L154 PolarHBondContact O-N 2.81Å; E152-L154 PolarHBondContact O-N 3.37Å
155F77Confident72.1Confident170 Ų170122.8 Ų122.875%0.74666%0.664SS**THydrogen-bonded Turntrans-114.6-2.3-177.1-59.9-79000113.6E152 E153 E157E152-F155 PolarHBondContact O-N 3.22Å; E153-F155 VanDerWaalsContact C-N 3.32Å; F155-E157 PolarHBondContact O-N 3.4Å
156E74.8Confident71.2Confident149 Ų149118.1 Ų118.170%0.69666%0.662SS**  trans-68.880.4169-69.6-170.1172.800109.5E152 P158E152-E156 PolarHBondContact O-N 3.07Å; E156-P158 WeakPolarHBondContact O-CD 3.41Å
157E75.3Confident70.6Confident171 Ų171118 Ų11880%0.79968%0.677SS**  trans-64.8114.7161-75.5-173.1172.200107F155 I159F155-E157 PolarHBondContact O-N 3.4Å; E157-I159 PolarHBondContact O-N 3.24Å
158P72.3Confident70.3Confident107 Ų107117 Ų11770%0.69567%0.668SS**  trans-61.4114.3177.924.4-31.5000107.1E156 V160E156-P158 WeakPolarHBondContact O-CD 3.41Å; P158-V160 HydrophobicContact CB-CG2 4.18Å; P158-V160 PolarHBondContact O-N 3.25Å
159I69.9Low70.6Confident168 Ų168114.5 Ų114.586%0.86265%0.65SS**  trans-69.875.3170-51.2174.9000106.4E157 A161E157-I159 PolarHBondContact O-N 3.24Å; I159-A161 VanDerWaalsContact C-N 3.27Å; I159-A161 PolarHBondContact O-N 3.36Å
160V71.3Confident70.7Confident107 Ų107116.1 Ų116.165%0.64865%0.651SS**  trans-70.697.5164.2-175.50000103.6P158 D162P158-V160 HydrophobicContact CB-CG2 4.18Å; P158-V160 PolarHBondContact O-N 3.25Å; V160-D162 PolarHBondContact O-N 3.18Å
161A63.1Low70.7Confident80 Ų80114.3 Ų114.366%0.66165%0.646SS**  trans-51.1112.3167.300000106.1I159 S163I159-A161 VanDerWaalsContact C-N 3.27Å; I159-A161 PolarHBondContact O-N 3.36Å; A161-S163 VanDerWaalsContact C-N 3.33Å; A161-S163 PolarHBondContact O-N 3.45Å
162D64Low70.6Confident121 Ų121116.8 Ų116.865%0.64766%0.656SS**  trans-54102.6-179.4-82.2-38.2000107.1V160 S164 V165V160-D162 PolarHBondContact O-N 3.18Å; D162-S164 PolarHBondContact O-N 2.79Å; D162-V165 HydrophobicContact CB-CB 4.43Å; D162-V165 HydrophobicContact CB-CG2 3.9Å; D162-V165 PolarHBondContact O-N 2.74Å
163S61.3Low70.4Confident131 Ų131116.9 Ų116.992%0.91666%0.66SS**THydrogen-bonded Turntrans-66-1.2-169.577.10000112.7A161A161-S163 VanDerWaalsContact C-N 3.33Å; A161-S163 PolarHBondContact O-N 3.45Å
164S59.3Low70.3Confident96 Ų96115.2 Ų115.267%0.67166%0.655SS**THydrogen-bonded Turntrans-100.2-21.4179.365.40000113.6D162 G166D162-S164 PolarHBondContact O-N 2.79Å; S164-G166 VanDerWaalsContact C-N 3.31Å; S164-G166 PolarHBondContact O-N 3.13Å; S164-G166 VanDerWaalsContact O-N 3.13Å
165V54.7Low70.4Confident121 Ų121113.8 Ų113.873%0.73365%0.648SS**THydrogen-bonded Turntrans-93.965.2-176.7-167.90000109.4D162D162-V165 HydrophobicContact CB-CB 4.43Å; D162-V165 HydrophobicContact CB-CG2 3.9Å; D162-V165 PolarHBondContact O-N 2.74Å
166G58.6Low70.5Confident64 Ų64114.4 Ų114.466%0.6665%0.653SS**THydrogen-bonded Turntrans174.720.6-179.900000115.1S164 F168S164-G166 VanDerWaalsContact C-N 3.31Å; S164-G166 PolarHBondContact O-N 3.13Å; S164-G166 VanDerWaalsContact O-N 3.13Å; G166-F168 PolarHBondContact O-N 3.43Å
167A66.8Low70.9Confident93 Ų93111 Ų11177%0.76964%0.644SS**  trans-59.6107164.400000107.1N169A167-N169 PolarHBondContact O-N 3.01Å
168F65.6Low71.4Confident82 Ų82108 Ų10836%0.3665%0.648SS.*  trans-53.7111.5179.3-178.4-93.7000108.9G166 F170 L173 L210G166-F168 PolarHBondContact O-N 3.43Å; F168-F170 HydrophobicContact CD1-CD1 4.19Å; F168-F170 HydrophobicContact CD1-CD2 4.48Å; F168-F170 HydrophobicContact CD1-CE1 4.1Å; F168-F170 HydrophobicContact CD1-CE2 4.4Å; F168-F170 HydrophobicContact CD1-CG 4.38Å; F168-F170 HydrophobicContact CD1-CZ 4.2Å; F168-F170 AromaticContact CE1-CD1 3.77Å; F168-F170 HydrophobicContact CE1-CD1 3.77Å; F168-F170 AromaticContact CE1-CE1 3.8Å; F168-F170 HydrophobicContact CE1-CE1 3.8Å; F168-F170 HydrophobicContact CE1-CG 4.3Å; F168-F170 HydrophobicContact CE1-CZ 4.36Å; F168-L173 HydrophobicContact CE1-CD1 3.9Å; F168-L173 HydrophobicContact CE1-CG 4.33Å; F168-L173 HydrophobicContact CE2-CD2 4.37Å; F168-L173 HydrophobicContact CZ-CD1 3.82Å; F168-L173 HydrophobicContact CZ-CD2 3.76Å; F168-L173 HydrophobicContact CZ-CG 3.96Å; F168-L210 HydrophobicContact CE1-CD1 3.97Å; F168-L210 HydrophobicContact CZ-CD1 3.96Å
169N79.3Confident72.3Confident72 Ų72106 Ų10639%0.38565%0.647SS.*  trans-90.5111.7176.5-174.1-4000109A167 E171 T172A167-N169 PolarHBondContact O-N 3.01Å; N169-E171 PolarHBondContact ND2-OE2 3.47Å; N169-E171 PolarHBondContact O-N 3.4Å; N169-E171 VanDerWaalsContact O-N 3.09Å; N169-E171 WeakPolarHBondContact OD1-CB 3.32Å; N169-E171 WeakPolarHBondContact OD1-CG 3.33Å; N169-E171 PolarHBondContact OD1-N 2.97Å; N169-T172 HydrophobicContact CB-CG2 4.22Å; N169-T172 PolarHBondContact O-N 3.07Å; N169-T172 PolarHBondContact O-OG1 2.93Å
170F74.8Confident73.5Confident100 Ų100101.9 Ų101.944%0.43963%0.627SS.*G310 helixtrans-55.4-25.9176.4-67.6-83.7000113.4F168 T172 L173 V213F168-F170 HydrophobicContact CD1-CD1 4.19Å; F168-F170 HydrophobicContact CD1-CD2 4.48Å; F168-F170 HydrophobicContact CD1-CE1 4.1Å; F168-F170 HydrophobicContact CD1-CE2 4.4Å; F168-F170 HydrophobicContact CD1-CG 4.38Å; F168-F170 HydrophobicContact CD1-CZ 4.2Å; F168-F170 AromaticContact CE1-CD1 3.77Å; F168-F170 HydrophobicContact CE1-CD1 3.77Å; F168-F170 AromaticContact CE1-CE1 3.8Å; F168-F170 HydrophobicContact CE1-CE1 3.8Å; F168-F170 HydrophobicContact CE1-CG 4.3Å; F168-F170 HydrophobicContact CE1-CZ 4.36Å; F170-T172 PolarHBondContact O-N 3.28Å; F170-L173 HydrophobicContact CD1-CD1 4.27Å; F170-L173 WeakPolarHBondContact O-CB 3.43Å; F170-L173 PolarHBondContact O-N 3.4Å; F170-V213 HydrophobicContact CE1-CG2 4.18Å
171E79.9Confident74.6Confident145 Ų145101.6 Ų101.668%0.67863%0.627SS**G310 helixtrans-67-23.9178-61.5171160.600112.7N169 L173N169-E171 PolarHBondContact ND2-OE2 3.47Å; N169-E171 PolarHBondContact O-N 3.4Å; N169-E171 VanDerWaalsContact O-N 3.09Å; N169-E171 WeakPolarHBondContact OD1-CB 3.32Å; N169-E171 WeakPolarHBondContact OD1-CG 3.33Å; N169-E171 PolarHBondContact OD1-N 2.97Å; E171-L173 VanDerWaalsContact C-N 3.31Å; E171-L173 PolarHBondContact O-N 3.13Å
172T77.4Confident76.2Confident77 Ų77104.9 Ų104.947%0.47263%0.629SS.*G310 helixtrans-78.5-14.5-179.9600000113.6N169 F170 D174 L175N169-T172 HydrophobicContact CB-CG2 4.22Å; N169-T172 PolarHBondContact O-N 3.07Å; N169-T172 PolarHBondContact O-OG1 2.93Å; F170-T172 PolarHBondContact O-N 3.28Å; T172-D174 PolarHBondContact O-N 3.26Å; T172-L175 PolarHBondContact O-N 3.44Å
173L73.6Confident77.6Confident113 Ų113103.4 Ų103.459%0.59262%0.624SS**G310 helixtrans-67.1-23.4179.4-71.6173.9000113.4F168 F170 E171F168-L173 HydrophobicContact CE1-CD1 3.9Å; F168-L173 HydrophobicContact CE1-CG 4.33Å; F168-L173 HydrophobicContact CE2-CD2 4.37Å; F168-L173 HydrophobicContact CZ-CD1 3.82Å; F168-L173 HydrophobicContact CZ-CD2 3.76Å; F168-L173 HydrophobicContact CZ-CG 3.96Å; F170-L173 HydrophobicContact CD1-CD1 4.27Å; F170-L173 WeakPolarHBondContact O-CB 3.43Å; F170-L173 PolarHBondContact O-N 3.4Å; E171-L173 VanDerWaalsContact C-N 3.31Å; E171-L173 PolarHBondContact O-N 3.13Å
174D77Confident79.1Confident102 Ų102101.5 Ų101.555%0.54560%0.598SS.*G310 helixtrans-93.8-6.4-180-89.5-57.6000113.5T172 K240T172-D174 PolarHBondContact O-N 3.26Å; D174-K240 IonicContact OD1-NZ 3.88Å; D174-K240 PolarHBondContact OD1-NZ 2.88Å
175L82.1Confident80.7Confident121 Ų12199.4 Ų99.463%0.63459%0.586SS**SBendtrans-89.2135-179-62.4177.8000110.2T172T172-L175 PolarHBondContact O-N 3.44Å
176E80.6Confident82.6Confident182 Ų18298.9 Ų98.985%0.8558%0.579SS**PPolyproline II helixtrans-60.3138.9165.9-74.3-178.9173.400109.1A178E176-A178 PolarHBondContact O-N 2.68Å
177P82.5Confident84.3Confident78 Ų78101.7 Ų101.751%0.50657%0.569SS.*PPolyproline II helixtrans-61.4126.1-177.521.8-29.6000110.3G179 Y184P177-G179 PolarHBondContact O-N 3.26Å; P177-Y184 HydrophobicContact CG-CD2 3.6Å; P177-Y184 HydrophobicContact CG-CE1 4.41Å; P177-Y184 HydrophobicContact CG-CE2 3.35Å; P177-Y184 HydrophobicContact CG-CG 4.26Å
178A86.2Confident85.5Confident108 Ų108102.3 Ų102.389%0.89356%0.557SS**PPolyproline II helixtrans-71.2121.6172.600000109.2E176E176-A178 PolarHBondContact O-N 2.68Å
179G91.1Very high86.9Confident65 Ų65102.8 Ų102.867%0.6757%0.57SS**SBendtrans171.1-178.1179.400000113.8P177P177-G179 PolarHBondContact O-N 3.26Å
180N95.3Very high87.6Confident82 Ų82103.9 Ų103.944%0.43958%0.58SS.*  trans-65.4122.6171.7179.1-12.8000108.9E182 T183 Y184N180-E182 PolarHBondContact O-N 3.35Å; N180-E182 WeakPolarHBondContact OD1-CB 3.49Å; N180-E182 PolarHBondContact OD1-N 3.49Å; N180-T183 PolarHBondContact O-N 3.3Å; N180-Y184 PolarHBondContact O-N 3.33Å; N180-Y184 VanDerWaalsContact O-N 3.11Å
181P93.7Very high88.3Confident100 Ų100103.2 Ų103.265%0.64958%0.577SS**Hα-helixtrans-59.6-30.3179.924.6-35.1000113.1Y184 A185P181-Y184 PolarHBondContact O-N 2.89Å; P181-A185 WeakPolarHBondContact O-CB 3.28Å; P181-A185 PolarHBondContact O-N 3.13Å
182E95.8Very high88.7Confident149 Ų14999.5 Ų99.570%0.69656%0.561SS**Hα-helixtrans-68.5-40.9177.9-62.1180172.700111.7N180 Y184 A185 L186N180-E182 PolarHBondContact O-N 3.35Å; N180-E182 WeakPolarHBondContact OD1-CB 3.49Å; N180-E182 PolarHBondContact OD1-N 3.49Å; E182-Y184 VanDerWaalsContact C-N 3.32Å; E182-A185 PolarHBondContact O-N 2.95Å; E182-L186 WeakPolarHBondContact O-CB 3.48Å; E182-L186 PolarHBondContact O-N 3.27Å
183T94.2Very high89.1Confident90 Ų9098.6 Ų98.655%0.55255%0.553SS**Hα-helixtrans-66.2-38.8175.8-48.30000110.8N180 L186 W187N180-T183 PolarHBondContact O-N 3.3Å; T183-L186 PolarHBondContact O-N 3.04Å; T183-W187 WeakPolarHBondContact O-CB 3.37Å; T183-W187 PolarHBondContact O-N 3.41Å
184Y92.5Very high89.7Confident92 Ų92101.5 Ų101.536%0.36156%0.556SS.*Hα-helixtrans-65.5-43.2175-177.3-115.7000111.9P177 N180 P181 E182 L186 W187 Q188P177-Y184 HydrophobicContact CG-CD2 3.6Å; P177-Y184 HydrophobicContact CG-CE1 4.41Å; P177-Y184 HydrophobicContact CG-CE2 3.35Å; P177-Y184 HydrophobicContact CG-CG 4.26Å; N180-Y184 PolarHBondContact O-N 3.33Å; N180-Y184 VanDerWaalsContact O-N 3.11Å; P181-Y184 PolarHBondContact O-N 2.89Å; E182-Y184 VanDerWaalsContact C-N 3.32Å; Y184-L186 PolarHBondContact O-N 3.39Å; Y184-W187 AromaticContact CD2-CE3 3.99Å; Y184-W187 HydrophobicContact CD2-CE3 3.99Å; Y184-W187 HydrophobicContact CD2-CZ3 4.48Å; Y184-W187 AromaticContact CE2-CE3 3.72Å; Y184-W187 HydrophobicContact CE2-CE3 3.72Å; Y184-W187 AromaticContact CE2-CZ3 3.76Å; Y184-W187 HydrophobicContact CE2-CZ3 3.76Å; Y184-W187 PolarHBondContact O-N 3.34Å; Y184-Q188 HydrophobicContact CD1-CG 4.36Å; Y184-Q188 HydrophobicContact CD2-CG 4.49Å; Y184-Q188 VanDerWaalsContact CE1-CD 3.43Å; Y184-Q188 HydrophobicContact CE1-CG 3.98Å; Y184-Q188 HydrophobicContact CE2-CG 4.09Å; Y184-Q188 WeakPolarHBondContact O-CG 3.36Å; Y184-Q188 PolarHBondContact O-N 3.48Å; Y184-Q188 PolarHBondContact OH-NE2 3.02Å
185A93Very high90.4Very high52 Ų52103.6 Ų103.643%0.4356%0.563SS.*Hα-helixtrans-61.9-42.6175.800000112P181 E182 Q188 S189P181-A185 WeakPolarHBondContact O-CB 3.28Å; P181-A185 PolarHBondContact O-N 3.13Å; E182-A185 PolarHBondContact O-N 2.95Å; A185-Q188 PolarHBondContact O-N 3.16Å; A185-S189 PolarHBondContact O-N 3.31Å
186L95.4Very high90.7Very high110 Ų110103.7 Ų103.758%0.57656%0.555SS**Hα-helixtrans-62.5-45.6174.9-178.863.1000111.5E182 T183 Y184 S189 T190E182-L186 WeakPolarHBondContact O-CB 3.48Å; E182-L186 PolarHBondContact O-N 3.27Å; T183-L186 PolarHBondContact O-N 3.04Å; Y184-L186 PolarHBondContact O-N 3.39Å; L186-S189 PolarHBondContact O-N 3.41Å; L186-S189 PolarHBondContact O-OG 3.48Å; L186-T190 HydrophobicContact CD1-CG2 4.43Å; L186-T190 PolarHBondContact O-N 2.99Å; L186-T190 VanDerWaalsContact O-N 3.11Å; L186-T190 PolarHBondContact O-OG1 3.21Å
187W94.2Very high91.1Very high122 Ų122100.2 Ų100.246%0.46254%0.538SS..Hα-helixtrans-58.6-48.9174.7174.884.6000111.2T183 Y184 S189 T190 F191T183-W187 WeakPolarHBondContact O-CB 3.37Å; T183-W187 PolarHBondContact O-N 3.41Å; Y184-W187 AromaticContact CD2-CE3 3.99Å; Y184-W187 HydrophobicContact CD2-CE3 3.99Å; Y184-W187 HydrophobicContact CD2-CZ3 4.48Å; Y184-W187 AromaticContact CE2-CE3 3.72Å; Y184-W187 HydrophobicContact CE2-CE3 3.72Å; Y184-W187 AromaticContact CE2-CZ3 3.76Å; Y184-W187 HydrophobicContact CE2-CZ3 3.76Å; Y184-W187 PolarHBondContact O-N 3.34Å; W187-S189 VanDerWaalsContact C-N 3.25Å; W187-S189 PolarHBondContact O-N 3.46Å; W187-T190 PolarHBondContact O-N 3.19Å; W187-T190 VanDerWaalsContact O-N 3.1Å; W187-T190 PolarHBondContact O-OG1 3.02Å; W187-F191 HydrophobicContact CD2-CB 4.22Å; W187-F191 AromaticContact CE2-CD2 3.54Å; W187-F191 AromaticContact CE2-CG 3.8Å; W187-F191 HydrophobicContact CH2-CB 4.49Å; W187-F191 HydrophobicContact CH2-CD1 4.13Å; W187-F191 HydrophobicContact CH2-CD2 4.28Å; W187-F191 HydrophobicContact CH2-CE1 4.43Å; W187-F191 HydrophobicContact CH2-CG 4.04Å; W187-F191 HydrophobicContact CZ2-CB 4.11Å; W187-F191 AromaticContact CZ2-CD1 3.99Å; W187-F191 HydrophobicContact CZ2-CD1 3.99Å; W187-F191 AromaticContact CZ2-CD2 3.36Å; W187-F191 HydrophobicContact CZ2-CD2 3.36Å; W187-F191 HydrophobicContact CZ2-CE1 4.24Å; W187-F191 AromaticContact CZ2-CE2 3.65Å; W187-F191 HydrophobicContact CZ2-CE2 3.65Å; W187-F191 AromaticContact CZ2-CG 3.54Å; W187-F191 HydrophobicContact CZ2-CG 3.54Å; W187-F191 HydrophobicContact CZ2-CZ 4.08Å; W187-F191 AromaticContact NE1-CD2 3.55Å; W187-F191 WeakPolarHBondContact O-CB 3.31Å; W187-F191 PolarHBondContact O-N 3.25Å
188Q91.3Very high91.3Very high107 Ų10799.9 Ų99.950%0.554%0.543SS..Hα-helixtrans-57.3-38.5176.9-76.9-171.5-26.200112.5Y184 A185 T190Y184-Q188 HydrophobicContact CD1-CG 4.36Å; Y184-Q188 HydrophobicContact CD2-CG 4.49Å; Y184-Q188 VanDerWaalsContact CE1-CD 3.43Å; Y184-Q188 HydrophobicContact CE1-CG 3.98Å; Y184-Q188 HydrophobicContact CE2-CG 4.09Å; Y184-Q188 WeakPolarHBondContact O-CG 3.36Å; Y184-Q188 PolarHBondContact O-N 3.48Å; Y184-Q188 PolarHBondContact OH-NE2 3.02Å; A185-Q188 PolarHBondContact O-N 3.16Å; Q188-T190 VanDerWaalsContact C-N 3.33Å; Q188-T190 PolarHBondContact O-N 2.89Å
189S94.3Very high91.4Very high92 Ų9298.3 Ų98.364%0.64352%0.517SS*.Hα-helixtrans-71.4-25.9179.573.90000114A185 L186 W187A185-S189 PolarHBondContact O-N 3.31Å; L186-S189 PolarHBondContact O-N 3.41Å; L186-S189 PolarHBondContact O-OG 3.48Å; W187-S189 VanDerWaalsContact C-N 3.25Å; W187-S189 PolarHBondContact O-N 3.46Å
190T94.2Very high91.1Very high95 Ų9597.7 Ų97.758%0.58350%0.501SS*.Hα-helixtrans-103.2-16.6-177.150.30000113L186 W187 Q188 N192L186-T190 HydrophobicContact CD1-CG2 4.43Å; L186-T190 PolarHBondContact O-N 2.99Å; L186-T190 VanDerWaalsContact O-N 3.11Å; L186-T190 PolarHBondContact O-OG1 3.21Å; W187-T190 PolarHBondContact O-N 3.19Å; W187-T190 VanDerWaalsContact O-N 3.1Å; W187-T190 PolarHBondContact O-OG1 3.02Å; Q188-T190 VanDerWaalsContact C-N 3.33Å; Q188-T190 PolarHBondContact O-N 2.89Å; T190-N192 PolarHBondContact O-N 3.49Å
191F90.6Very high90.8Very high86 Ų8698.8 Ų98.838%0.37750%0.504SS..  trans-74.5108-176.5-173.1-98.6000111.3W187 L193 R196W187-F191 HydrophobicContact CD2-CB 4.22Å; W187-F191 AromaticContact CE2-CD2 3.54Å; W187-F191 AromaticContact CE2-CG 3.8Å; W187-F191 HydrophobicContact CH2-CB 4.49Å; W187-F191 HydrophobicContact CH2-CD1 4.13Å; W187-F191 HydrophobicContact CH2-CD2 4.28Å; W187-F191 HydrophobicContact CH2-CE1 4.43Å; W187-F191 HydrophobicContact CH2-CG 4.04Å; W187-F191 HydrophobicContact CZ2-CB 4.11Å; W187-F191 AromaticContact CZ2-CD1 3.99Å; W187-F191 HydrophobicContact CZ2-CD1 3.99Å; W187-F191 AromaticContact CZ2-CD2 3.36Å; W187-F191 HydrophobicContact CZ2-CD2 3.36Å; W187-F191 HydrophobicContact CZ2-CE1 4.24Å; W187-F191 AromaticContact CZ2-CE2 3.65Å; W187-F191 HydrophobicContact CZ2-CE2 3.65Å; W187-F191 AromaticContact CZ2-CG 3.54Å; W187-F191 HydrophobicContact CZ2-CG 3.54Å; W187-F191 HydrophobicContact CZ2-CZ 4.08Å; W187-F191 AromaticContact NE1-CD2 3.55Å; W187-F191 WeakPolarHBondContact O-CB 3.31Å; W187-F191 PolarHBondContact O-N 3.25Å; F191-L193 HydrophobicContact CE1-CB 4.48Å; F191-L193 HydrophobicContact CE1-CD1 3.88Å; F191-L193 HydrophobicContact CZ-CD1 4.25Å; F191-R196 HydrophobicContact CE2-CG 4.28Å
192N88.4Confident90.6Very high67 Ų6799.2 Ų99.236%0.35849%0.493SS..  trans-104.1109.9174.6-172-14000110.5T190 R194 E195 R196T190-N192 PolarHBondContact O-N 3.49Å; N192-R194 PolarHBondContact O-N 3.3Å; N192-R194 WeakPolarHBondContact OD1-CB 3.34Å; N192-R194 PolarHBondContact OD1-N 3.32Å; N192-E195 HydrophobicContact CB-CB 4.24Å; N192-E195 HydrophobicContact CB-CG 4.13Å; N192-E195 PolarHBondContact ND2-OE1 3.49Å; N192-E195 PolarHBondContact O-N 3.04Å; N192-R196 PolarHBondContact O-N 2.96Å
193L85.8Confident90.2Very high57 Ų5795.8 Ų95.830%0.29848%0.479SS..THydrogen-bonded Turntrans-60-32.6-179.3-165.573.4000112.3F191 R196 E197 F229F191-L193 HydrophobicContact CE1-CB 4.48Å; F191-L193 HydrophobicContact CE1-CD1 3.88Å; F191-L193 HydrophobicContact CZ-CD1 4.25Å; L193-R196 CarbonylContact O-C 3.3Å; L193-R196 PolarHBondContact O-N 3.19Å; L193-E197 PolarHBondContact O-N 2.96Å; L193-F229 HydrophobicContact CD2-CB 4.47Å; L193-F229 HydrophobicContact CD2-CD2 3.62Å; L193-F229 HydrophobicContact CD2-CE2 3.97Å; L193-F229 HydrophobicContact CD2-CG 4.04Å
194R86Confident89.9Confident175 Ų17592.7 Ų92.766%0.6646%0.459SS*.THydrogen-bonded Turntrans-68.7-37.8-178.9-172.6177.9-73179.3-2.6112.2N192 R196 E197N192-R194 PolarHBondContact O-N 3.3Å; N192-R194 WeakPolarHBondContact OD1-CB 3.34Å; N192-R194 PolarHBondContact OD1-N 3.32Å; R194-R196 PolarHBondContact O-N 3.25Å; R194-E197 PolarHBondContact O-N 3.14Å
195E90.5Very high89.8Confident146 Ų14695.3 Ų95.368%0.68247%0.474SS*.THydrogen-bonded Turntrans-70.3-21.8176.2-71.2169.8-15200112.3N192N192-E195 HydrophobicContact CB-CB 4.24Å; N192-E195 HydrophobicContact CB-CG 4.13Å; N192-E195 PolarHBondContact ND2-OE1 3.49Å; N192-E195 PolarHBondContact O-N 3.04Å
196R88.3Confident89.6Confident123 Ų12395.5 Ų95.546%0.46447%0.472SS..THydrogen-bonded Turntrans-1031.9-179.1-60.6-61.9-178.2138.6-0.6113.8F191 N192 L193 R194 A198 E199 C200F191-R196 HydrophobicContact CE2-CG 4.28Å; N192-R196 PolarHBondContact O-N 2.96Å; L193-R196 CarbonylContact O-C 3.3Å; L193-R196 PolarHBondContact O-N 3.19Å; R194-R196 PolarHBondContact O-N 3.25Å; R196-A198 PolarHBondContact O-N 3.36Å; R196-E199 WeakPolarHBondContact CD-OE2 3.33Å; R196-E199 IonicContact CZ-OE2 2.81Å; R196-E199 IonicContact NH1-OE2 2.85Å; R196-E199 PolarHBondContact NH1-OE2 3.38Å; R196-E199 WeakPolarHBondContact O-CA 3.37Å; R196-E199 WeakPolarHBondContact O-CB 3.36Å; R196-E199 PolarHBondContact O-N 3.09Å; R196-C200 PolarHBondContact O-N 3.01Å; R196-C200 PolarHBondContact O-SG 2.99Å; R196-C200 VanDerWaalsContact O-SG 3.41Å
197E89.1Confident89.4Confident108 Ų10894.1 Ų94.151%0.50546%0.463SS..Hα-helixtrans-57.3-48.4-177.5-175.7168.8-148.400111.9L193 R194 E199 C200 E201L193-E197 PolarHBondContact O-N 2.96Å; R194-E197 PolarHBondContact O-N 3.14Å; E197-E199 PolarHBondContact O-N 3.1Å; E197-C200 WeakPolarHBondContact O-CB 3.32Å; E197-C200 PolarHBondContact O-N 2.89Å; E197-C200 VanDerWaalsContact O-N 3.13Å; E197-E201 WeakPolarHBondContact O-CG 3.27Å; E197-E201 PolarHBondContact O-N 3.33Å
198A88.2Confident89.2Confident72 Ų7292.8 Ų92.860%0.59547%0.47SS*.Hα-helixtrans-62.1-3217700000112.9R196 R202R196-A198 PolarHBondContact O-N 3.36Å; A198-R202 VanDerWaalsContact O-CB 3.32Å; A198-R202 WeakPolarHBondContact O-CB 3.43Å; A198-R202 PolarHBondContact O-N 2.96Å; A198-R202 VanDerWaalsContact O-N 3.12Å
199E88Confident89Confident75 Ų7594 Ų9435%0.3548%0.475SS..Hα-helixtrans-71.9-42.6175179.3163.7-144.600111.4R196 E197 R202 L203R196-E199 WeakPolarHBondContact CD-OE2 3.33Å; R196-E199 IonicContact CZ-OE2 2.81Å; R196-E199 IonicContact NH1-OE2 2.85Å; R196-E199 PolarHBondContact NH1-OE2 3.38Å; R196-E199 WeakPolarHBondContact O-CA 3.37Å; R196-E199 WeakPolarHBondContact O-CB 3.36Å; R196-E199 PolarHBondContact O-N 3.09Å; E197-E199 PolarHBondContact O-N 3.1Å; E199-R202 PolarHBondContact O-N 3.15Å; E199-R202 IonicContact OE1-NH2 3.82Å; E199-L203 HydrophobicContact CG-CD1 4.25Å; E199-L203 WeakPolarHBondContact O-CG 3.49Å; E199-L203 PolarHBondContact O-N 3.14Å
200C85.2Confident88.6Confident51 Ų5191.5 Ų91.535%0.34546%0.455SS..Hα-helixtrans-60.8-46.8174.1-69.70000111.7R196 E197 R202 L203 L204R196-C200 PolarHBondContact O-N 3.01Å; R196-C200 PolarHBondContact O-SG 2.99Å; R196-C200 VanDerWaalsContact O-SG 3.41Å; E197-C200 WeakPolarHBondContact O-CB 3.32Å; E197-C200 PolarHBondContact O-N 2.89Å; E197-C200 VanDerWaalsContact O-N 3.13Å; C200-R202 VanDerWaalsContact C-N 3.32Å; C200-R202 PolarHBondContact O-N 3.07Å; C200-L203 PolarHBondContact O-N 3.14Å; C200-L204 WeakPolarHBondContact O-CG 3.48Å; C200-L204 PolarHBondContact O-N 3.03Å
201E88.8Confident88.2Confident105 Ų10589.4 Ų89.449%0.49144%0.439SS..Hα-helixtrans-58.8-45.3176.2-73.9-173.9165.500111.5E197 L203 L204 Q205E197-E201 WeakPolarHBondContact O-CG 3.27Å; E197-E201 PolarHBondContact O-N 3.33Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 3.45Å; E201-L204 PolarHBondContact O-N 3.45Å; E201-Q205 WeakPolarHBondContact O-CB 3.45Å; E201-Q205 VanDerWaalsContact O-CG 3.27Å; E201-Q205 WeakPolarHBondContact O-CG 3.34Å; E201-Q205 PolarHBondContact O-N 3.35Å
202R88Confident88Confident110 Ų11091.2 Ų91.242%0.41545%0.449SS..Hα-helixtrans-61.6-41.6176.4-173.6-170.965.781.71.9111.8A198 E199 C200 Q205 S206A198-R202 VanDerWaalsContact O-CB 3.32Å; A198-R202 WeakPolarHBondContact O-CB 3.43Å; A198-R202 PolarHBondContact O-N 2.96Å; A198-R202 VanDerWaalsContact O-N 3.12Å; E199-R202 PolarHBondContact O-N 3.15Å; E199-R202 IonicContact OE1-NH2 3.82Å; C200-R202 VanDerWaalsContact C-N 3.32Å; C200-R202 PolarHBondContact O-N 3.07Å; R202-Q205 PolarHBondContact O-N 3.09Å; R202-S206 PolarHBondContact O-N 2.68Å
203L87.9Confident87.8Confident77 Ų7790.8 Ų90.840%0.40345%0.449SS..Hα-helixtrans-64.4-45.4176.8-75.4170.8000111.3E199 C200 E201 Q205 S206 Q207E199-L203 HydrophobicContact CG-CD1 4.25Å; E199-L203 WeakPolarHBondContact O-CG 3.49Å; E199-L203 PolarHBondContact O-N 3.14Å; C200-L203 PolarHBondContact O-N 3.14Å; E201-L203 VanDerWaalsContact C-N 3.34Å; E201-L203 PolarHBondContact O-N 3.45Å; L203-Q205 VanDerWaalsContact C-N 3.35Å; L203-Q205 PolarHBondContact O-N 3.18Å; L203-S206 PolarHBondContact O-N 2.9Å; L203-S206 VanDerWaalsContact O-N 3.14Å; L203-S206 PolarHBondContact O-OG 3.33Å; L203-Q207 PolarHBondContact O-N 3.45Å; L203-Q207 VanDerWaalsContact O-N 3.14Å
204L88.7Confident87.6Confident25 Ų2591.8 Ų91.813%0.13145%0.449CS..Hα-helixtrans-61.3-42175.8-70.3172.1000111.8C200 E201 S206 Q207 L210 L211 Y214C200-L204 WeakPolarHBondContact O-CG 3.48Å; C200-L204 PolarHBondContact O-N 3.03Å; E201-L204 PolarHBondContact O-N 3.45Å; L204-S206 VanDerWaalsContact C-N 3.28Å; L204-S206 PolarHBondContact O-N 2.87Å; L204-Q207 CarbonylContact O-C 3.58Å; L204-Q207 VanDerWaalsContact O-C 3.3Å; L204-Q207 PolarHBondContact O-N 2.86Å; L204-Q207 VanDerWaalsContact O-O 3.09Å; L204-L210 HydrophobicContact CD2-CB 4.42Å; L204-L210 HydrophobicContact CD2-CD2 3.93Å; L204-L210 HydrophobicContact CD2-CG 3.78Å; L204-L211 HydrophobicContact CB-CD1 4.07Å; L204-Y214 HydrophobicContact CD1-CD1 3.97Å; L204-Y214 HydrophobicContact CD1-CD2 4.1Å; L204-Y214 HydrophobicContact CD1-CE1 4.14Å; L204-Y214 HydrophobicContact CD1-CE2 4.26Å; L204-Y214 HydrophobicContact CD1-CG 3.95Å; L204-Y214 HydrophobicContact CD2-CD2 4.44Å; L204-Y214 HydrophobicContact CD2-CG 4.18Å
205Q89.7Confident87.5Confident147 Ų14789.3 Ų89.369%0.68745%0.445SS*.Hα-helixtrans-64-33.4175.3-73.2175.114.200112.6E201 R202 L203 Q207E201-Q205 WeakPolarHBondContact O-CB 3.45Å; E201-Q205 VanDerWaalsContact O-CG 3.27Å; E201-Q205 WeakPolarHBondContact O-CG 3.34Å; E201-Q205 PolarHBondContact O-N 3.35Å; R202-Q205 PolarHBondContact O-N 3.09Å; L203-Q205 VanDerWaalsContact C-N 3.35Å; L203-Q205 PolarHBondContact O-N 3.18Å; Q205-Q207 VanDerWaalsContact C-N 3.29Å
206S89.3Confident87.1Confident56 Ų5688.3 Ų88.339%0.39244%0.444SS..Hα-helixtrans-73.8-20.6176.9750000113.5R202 L203 L204R202-S206 PolarHBondContact O-N 2.68Å; L203-S206 PolarHBondContact O-N 2.9Å; L203-S206 VanDerWaalsContact O-N 3.14Å; L203-S206 PolarHBondContact O-OG 3.33Å; L204-S206 VanDerWaalsContact C-N 3.28Å; L204-S206 PolarHBondContact O-N 2.87Å
207Q91.2Very high86.5Confident81 Ų8187.4 Ų87.438%0.37945%0.448SS..  trans-127.885.8-176.6-66.1-167.4-11.300111.1L203 L204 Q205 E209 L210 L211L203-Q207 PolarHBondContact O-N 3.45Å; L203-Q207 VanDerWaalsContact O-N 3.14Å; L204-Q207 CarbonylContact O-C 3.58Å; L204-Q207 VanDerWaalsContact O-C 3.3Å; L204-Q207 PolarHBondContact O-N 2.86Å; L204-Q207 VanDerWaalsContact O-O 3.09Å; Q205-Q207 VanDerWaalsContact C-N 3.29Å; Q207-E209 PolarHBondContact O-N 3.42Å; Q207-E209 VanDerWaalsContact O-N 3.17Å; Q207-L210 HydrophobicContact CB-CB 3.97Å; Q207-L210 WeakPolarHBondContact O-CB 3.4Å; Q207-L210 PolarHBondContact O-N 3.36Å; Q207-L211 PolarHBondContact O-N 3.12Å
208P89.1Confident85.8Confident93 Ų9383.1 Ų83.160%0.60443%0.429SS*.Hα-helixtrans-62.1-28.3-174.623.4-33.6000113.7L210 L211 E212P208-L210 VanDerWaalsContact C-N 3.35Å; P208-L211 PolarHBondContact O-N 2.85Å; P208-E212 PolarHBondContact O-N 2.94Å
209E88.7Confident85Confident133 Ų13383.4 Ų83.462%0.62142%0.424SS*.Hα-helixtrans-64.8-40.7175.1-63170.6178.400111.1Q207 E212 V213Q207-E209 PolarHBondContact O-N 3.42Å; Q207-E209 VanDerWaalsContact O-N 3.17Å; E209-E212 PolarHBondContact O-N 3.46Å; E209-V213 WeakPolarHBondContact O-CG2 3.44Å; E209-V213 PolarHBondContact O-N 2.84Å
210L84.2Confident84Confident39 Ų3985.2 Ų85.220%0.20445%0.445CS..Hα-helixtrans-71.5-38.1175.4-172.664.8000111F168 L204 Q207 P208 E212 V213 Y214F168-L210 HydrophobicContact CE1-CD1 3.97Å; F168-L210 HydrophobicContact CZ-CD1 3.96Å; L204-L210 HydrophobicContact CD2-CB 4.42Å; L204-L210 HydrophobicContact CD2-CD2 3.93Å; L204-L210 HydrophobicContact CD2-CG 3.78Å; Q207-L210 HydrophobicContact CB-CB 3.97Å; Q207-L210 WeakPolarHBondContact O-CB 3.4Å; Q207-L210 PolarHBondContact O-N 3.36Å; P208-L210 VanDerWaalsContact C-N 3.35Å; L210-E212 VanDerWaalsContact C-N 3.32Å; L210-E212 PolarHBondContact O-N 3.47Å; L210-V213 PolarHBondContact O-N 3.16Å; L210-Y214 VanDerWaalsContact O-CB 3.31Å; L210-Y214 WeakPolarHBondContact O-CB 3.18Å; L210-Y214 PolarHBondContact O-N 3.41Å
211L87.2Confident83.1Confident51 Ų5191.6 Ų91.627%0.26747%0.47SS..Hα-helixtrans-61.6-39174.2-178.263.4000112L204 Q207 P208 Y214 Q215L204-L211 HydrophobicContact CB-CD1 4.07Å; Q207-L211 PolarHBondContact O-N 3.12Å; P208-L211 PolarHBondContact O-N 2.85Å; L211-Y214 PolarHBondContact O-N 3.38Å; L211-Q215 HydrophobicContact CD1-CG 4.27Å; L211-Q215 HydrophobicContact CG-CG 4.47Å; L211-Q215 WeakPolarHBondContact O-CB 3.33Å; L211-Q215 VanDerWaalsContact O-CG 3.28Å; L211-Q215 WeakPolarHBondContact O-CG 3.29Å; L211-Q215 PolarHBondContact O-N 3.45Å
212E86.5Confident81.5Confident125 Ų12589.7 Ų89.758%0.58447%0.465SS*.Hα-helixtrans-63.5-46174.9-176.5175.8-171.600111.3P208 E209 L210 Y214 Q215 N216P208-E212 PolarHBondContact O-N 2.94Å; E209-E212 PolarHBondContact O-N 3.46Å; L210-E212 VanDerWaalsContact C-N 3.32Å; L210-E212 PolarHBondContact O-N 3.47Å; E212-Y214 VanDerWaalsContact C-N 3.32Å; E212-Y214 PolarHBondContact O-N 2.93Å; E212-Q215 PolarHBondContact O-N 3.17Å; E212-N216 WeakPolarHBondContact O-CB 3.36Å; E212-N216 VanDerWaalsContact O-CG 3.22Å; E212-N216 PolarHBondContact O-N 3.41Å; E212-N216 PolarHBondContact O-ND2 3.49Å
213V82.9Confident79.7Confident57 Ų5789.2 Ų89.235%0.34547%0.474SS..Hα-helixtrans-61.6-43174.7175.80000110.8F170 E209 L210 N216 L217F170-V213 HydrophobicContact CE1-CG2 4.18Å; E209-V213 WeakPolarHBondContact O-CG2 3.44Å; E209-V213 PolarHBondContact O-N 2.84Å; L210-V213 PolarHBondContact O-N 3.16Å; V213-N216 PolarHBondContact O-N 3Å; V213-L217 HydrophobicContact CG1-CD1 3.84Å; V213-L217 HydrophobicContact CG1-CG 4.46Å; V213-L217 VanDerWaalsContact O-CG 3.29Å; V213-L217 WeakPolarHBondContact O-CG 3.37Å; V213-L217 PolarHBondContact O-N 3.01Å
214Y81.9Confident78.1Confident78 Ų7891.7 Ų91.731%0.30649%0.492SS..Hα-helixtrans-61.6-46.9177.4-178.7-94.9000112L204 L210 L211 E212 N216 L217 V218 F229L204-Y214 HydrophobicContact CD1-CD1 3.97Å; L204-Y214 HydrophobicContact CD1-CD2 4.1Å; L204-Y214 HydrophobicContact CD1-CE1 4.14Å; L204-Y214 HydrophobicContact CD1-CE2 4.26Å; L204-Y214 HydrophobicContact CD1-CG 3.95Å; L204-Y214 HydrophobicContact CD2-CD2 4.44Å; L204-Y214 HydrophobicContact CD2-CG 4.18Å; L210-Y214 VanDerWaalsContact O-CB 3.31Å; L210-Y214 WeakPolarHBondContact O-CB 3.18Å; L210-Y214 PolarHBondContact O-N 3.41Å; L211-Y214 PolarHBondContact O-N 3.38Å; E212-Y214 VanDerWaalsContact C-N 3.32Å; E212-Y214 PolarHBondContact O-N 2.93Å; Y214-N216 VanDerWaalsContact C-N 3.28Å; Y214-N216 PolarHBondContact O-N 3.43Å; Y214-L217 CarbonylContact O-C 3.14Å; Y214-L217 PolarHBondContact O-N 3.47Å; Y214-L217 VanDerWaalsContact O-N 3.08Å; Y214-V218 HydrophobicContact CD1-CB 4.44Å; Y214-V218 HydrophobicContact CD1-CG2 4.22Å; Y214-V218 HydrophobicContact CD2-CG2 3.88Å; Y214-V218 HydrophobicContact CE1-CB 4.08Å; Y214-V218 HydrophobicContact CE1-CG1 4.43Å; Y214-V218 HydrophobicContact CE1-CG2 3.89Å; Y214-V218 HydrophobicContact CE2-CG2 3.52Å; Y214-V218 HydrophobicContact CG-CG2 4.22Å; Y214-V218 WeakPolarHBondContact O-CB 3.48Å; Y214-V218 WeakPolarHBondContact O-CG2 3.46Å; Y214-V218 PolarHBondContact O-N 2.95Å; Y214-F229 AromaticContact CE2-CE1 3.89Å; Y214-F229 HydrophobicContact CE2-CE1 3.89Å; Y214-F229 AromaticContact CE2-CZ 3.82Å; Y214-F229 HydrophobicContact CE2-CZ 3.82Å; Y214-F229 WeakPolarHBondContact OH-CZ 3.39Å
215Q83.9Confident76.7Confident123 Ų12394.2 Ų94.258%0.57551%0.512SS*.Hα-helixtrans-65.8-29.7177.5-73.4175.60.100113L211 E212 L217 V218L211-Q215 HydrophobicContact CD1-CG 4.27Å; L211-Q215 HydrophobicContact CG-CG 4.47Å; L211-Q215 WeakPolarHBondContact O-CB 3.33Å; L211-Q215 VanDerWaalsContact O-CG 3.28Å; L211-Q215 WeakPolarHBondContact O-CG 3.29Å; L211-Q215 PolarHBondContact O-N 3.45Å; E212-Q215 PolarHBondContact O-N 3.17Å; Q215-L217 VanDerWaalsContact C-N 3.33Å; Q215-V218 VanDerWaalsContact O-O 3.06Å
216N82.2Confident75.2Confident125 Ų12591.6 Ų91.667%0.66850%0.502SS*.Hα-helixtrans-73.9-26.7173.5-71.9-38.5000112.4E212 V213 Y214E212-N216 WeakPolarHBondContact O-CB 3.36Å; E212-N216 VanDerWaalsContact O-CG 3.22Å; E212-N216 PolarHBondContact O-N 3.41Å; E212-N216 PolarHBondContact O-ND2 3.49Å; V213-N216 PolarHBondContact O-N 3Å; Y214-N216 VanDerWaalsContact C-N 3.28Å; Y214-N216 PolarHBondContact O-N 3.43Å
217L76.3Confident73.8Confident104 Ų10491.1 Ų91.155%0.54550%0.501SS..Hα-helixtrans-90.2-33.7178.3-70.1172.2000112.8V213 Y214 Q215 F228V213-L217 HydrophobicContact CG1-CD1 3.84Å; V213-L217 HydrophobicContact CG1-CG 4.46Å; V213-L217 VanDerWaalsContact O-CG 3.29Å; V213-L217 WeakPolarHBondContact O-CG 3.37Å; V213-L217 PolarHBondContact O-N 3.01Å; Y214-L217 CarbonylContact O-C 3.14Å; Y214-L217 PolarHBondContact O-N 3.47Å; Y214-L217 VanDerWaalsContact O-N 3.08Å; Q215-L217 VanDerWaalsContact C-N 3.33Å; L217-F228 VanDerWaalsContact O-CZ 3.26Å; L217-F228 WeakPolarHBondContact O-CZ 2.71Å
218V74.7Confident72.4Confident18 Ų1889.1 Ų89.111%0.10949%0.491CS..SBendtrans-107104.7-178.3-172.90000108.6Y214 Q215 S220 F228Y214-V218 HydrophobicContact CD1-CB 4.44Å; Y214-V218 HydrophobicContact CD1-CG2 4.22Å; Y214-V218 HydrophobicContact CD2-CG2 3.88Å; Y214-V218 HydrophobicContact CE1-CB 4.08Å; Y214-V218 HydrophobicContact CE1-CG1 4.43Å; Y214-V218 HydrophobicContact CE1-CG2 3.89Å; Y214-V218 HydrophobicContact CE2-CG2 3.52Å; Y214-V218 HydrophobicContact CG-CG2 4.22Å; Y214-V218 WeakPolarHBondContact O-CB 3.48Å; Y214-V218 WeakPolarHBondContact O-CG2 3.46Å; Y214-V218 PolarHBondContact O-N 2.95Å; Q215-V218 VanDerWaalsContact O-O 3.06Å; V218-S220 PolarHBondContact O-N 3.36Å; V218-F228 HydrophobicContact CB-CD1 4.48Å; V218-F228 HydrophobicContact CB-CE1 3.98Å; V218-F228 HydrophobicContact CG1-CD1 4.04Å; V218-F228 HydrophobicContact CG1-CE1 3.95Å; V218-F228 HydrophobicContact CG1-CZ 4.45Å; V218-F228 HydrophobicContact CG2-CD1 4.12Å; V218-F228 HydrophobicContact CG2-CE1 3.71Å
219T70.3Confident71.1Confident78 Ų7889 Ų8948%0.47948%0.481SS..  trans-63.8131.9176.343.20000110E221 T222T219-E221 PolarHBondContact O-N 2.87Å; T219-T222 PolarHBondContact O-N 2.69Å; T219-T222 PolarHBondContact O-OG1 3.42Å; T219-T222 PolarHBondContact OG1-OG1 3.09Å
220S67.9Low70Confident113 Ų11385.9 Ų85.979%0.7947%0.474SS*.G310 helixtrans-58-18.9-179.855.30000114.1V218 V223V218-S220 PolarHBondContact O-N 3.36Å; S220-V223 WeakPolarHBondContact O-CG2 3.49Å
221E65.3Low69.1Low186 Ų18688.3 Ų88.387%0.86949%0.487SS*.G310 helixtrans-78.1-18.9176.1-102.8173.4165.700113.9T219T219-E221 PolarHBondContact O-N 2.87Å
222T55.4Low68.1Low65 Ų6588.2 Ų88.240%0.39949%0.489SS..G310 helixtrans-11543.8-17857.60000112T219 F228T219-T222 PolarHBondContact O-N 2.69Å; T219-T222 PolarHBondContact O-OG1 3.42Å; T219-T222 PolarHBondContact OG1-OG1 3.09Å; T222-F228 VanDerWaalsContact OG1-CD2 3.28Å; T222-F228 WeakPolarHBondContact OG1-CD2 3.5Å; T222-F228 VanDerWaalsContact OG1-CE2 3.25Å; T222-F228 WeakPolarHBondContact OG1-CE2 3.44Å
223V49.6Very low67.3Low100 Ų10088 Ų8861%0.60649%0.491SS*.  trans-78.1136.3174.2-177.70000108.7S220S220-V223 WeakPolarHBondContact O-CG2 3.49Å
224V54.8Low66.7Low129 Ų12988 Ų8878%0.78250%0.497SS*.SBendtrans108.1-26.6166.5-165.60000117.9I226V224-I226 PolarHBondContact O-N 2.86Å
225S59.1Low66.2Low77 Ų7790.6 Ų90.654%0.53851%0.51SS..  trans-84.5122.7178.7-167.60000112A227 F228S225-A227 PolarHBondContact O-N 3.48Å; S225-A227 VanDerWaalsContact OG-CB 3.31Å; S225-A227 WeakPolarHBondContact OG-CB 3.37Å; S225-A227 PolarHBondContact OG-N 3.45Å; S225-F228 WeakPolarHBondContact O-CB 3.3Å; S225-F228 PolarHBondContact O-N 2.81Å
226I58.4Low65.9Low93 Ų9391.4 Ų91.448%0.47751%0.508SS..THydrogen-bonded Turntrans-47.8-26.8166.2-77.5167000111.9V224 F228 F229V224-I226 PolarHBondContact O-N 2.86Å; I226-F228 PolarHBondContact O-N 3.23Å; I226-F228 VanDerWaalsContact O-N 3.12Å; I226-F229 PolarHBondContact O-N 2.81Å; I226-F229 VanDerWaalsContact O-N 3.1Å
227A59.4Low65.5Low45 Ų4592.8 Ų92.837%0.37251%0.508SS..Hα-helixtrans-56.8-24.3172.900000113.1S225 S230 L231S225-A227 PolarHBondContact O-N 3.48Å; S225-A227 VanDerWaalsContact OG-CB 3.31Å; S225-A227 WeakPolarHBondContact OG-CB 3.37Å; S225-A227 PolarHBondContact OG-N 3.45Å; A227-S230 WeakPolarHBondContact CA-OG 3.47Å; A227-S230 PolarHBondContact O-OG 3.37Å; A227-L231 WeakPolarHBondContact O-CB 3.33Å; A227-L231 WeakPolarHBondContact O-CD1 3.06Å; A227-L231 PolarHBondContact O-N 2.89Å
228F62.6Low65.5Low40 Ų4092.1 Ų92.118%0.17551%0.505CS..Hα-helixtrans-69.9-40.8176.1-165.7-86.3000111.8L217 V218 T222 S225 I226 S230 L231 P232L217-F228 VanDerWaalsContact O-CZ 3.26Å; L217-F228 WeakPolarHBondContact O-CZ 2.71Å; V218-F228 HydrophobicContact CB-CD1 4.48Å; V218-F228 HydrophobicContact CB-CE1 3.98Å; V218-F228 HydrophobicContact CG1-CD1 4.04Å; V218-F228 HydrophobicContact CG1-CE1 3.95Å; V218-F228 HydrophobicContact CG1-CZ 4.45Å; V218-F228 HydrophobicContact CG2-CD1 4.12Å; V218-F228 HydrophobicContact CG2-CE1 3.71Å; T222-F228 VanDerWaalsContact OG1-CD2 3.28Å; T222-F228 WeakPolarHBondContact OG1-CD2 3.5Å; T222-F228 VanDerWaalsContact OG1-CE2 3.25Å; T222-F228 WeakPolarHBondContact OG1-CE2 3.44Å; S225-F228 WeakPolarHBondContact O-CB 3.3Å; S225-F228 PolarHBondContact O-N 2.81Å; I226-F228 PolarHBondContact O-N 3.23Å; I226-F228 VanDerWaalsContact O-N 3.12Å; F228-S230 PolarHBondContact O-N 3.46Å; F228-L231 PolarHBondContact O-N 3.44Å; F228-P232 HydrophobicContact CD1-CG 4.43Å; F228-P232 HydrophobicContact CE1-CG 3.88Å; F228-P232 HydrophobicContact CZ-CG 4.21Å; F228-P232 WeakPolarHBondContact O-CD 3.36Å
229F62.6Low65.7Low90 Ų9096.3 Ų96.340%0.39552%0.523SS..Hα-helixtrans-66.6-31.1177.8-77-77.5000112.1L193 Y214 I226 I233L193-F229 HydrophobicContact CD2-CB 4.47Å; L193-F229 HydrophobicContact CD2-CD2 3.62Å; L193-F229 HydrophobicContact CD2-CE2 3.97Å; L193-F229 HydrophobicContact CD2-CG 4.04Å; Y214-F229 AromaticContact CE2-CE1 3.89Å; Y214-F229 HydrophobicContact CE2-CE1 3.89Å; Y214-F229 AromaticContact CE2-CZ 3.82Å; Y214-F229 HydrophobicContact CE2-CZ 3.82Å; Y214-F229 WeakPolarHBondContact OH-CZ 3.39Å; I226-F229 PolarHBondContact O-N 2.81Å; I226-F229 VanDerWaalsContact O-N 3.1Å; F229-I233 VanDerWaalsContact O-CD1 3.28Å; F229-I233 WeakPolarHBondContact O-CD1 3.46Å; F229-I233 VanDerWaalsContact O-CG1 3.29Å; F229-I233 WeakPolarHBondContact O-CG1 3.45Å
230S65.2Low66.2Low68 Ų6898 Ų9848%0.47652%0.524SS..Hα-helixtrans-73.6-27.3176.756.80000113.2A227 F228 A234A227-S230 WeakPolarHBondContact CA-OG 3.47Å; A227-S230 PolarHBondContact O-OG 3.37Å; F228-S230 PolarHBondContact O-N 3.46Å; S230-A234 WeakPolarHBondContact O-CB 3.31Å; S230-A234 PolarHBondContact O-N 2.85Å
231L65.4Low66.7Low90 Ų9094.3 Ų94.347%0.47150%0.498SS..Hα-helixtrans-70.5-54.2-173.3-101.9153000114.8A227 F228 I233 A234 F235A227-L231 WeakPolarHBondContact O-CB 3.33Å; A227-L231 WeakPolarHBondContact O-CD1 3.06Å; A227-L231 PolarHBondContact O-N 2.89Å; F228-L231 PolarHBondContact O-N 3.44Å; L231-I233 VanDerWaalsContact C-N 3.33Å; L231-I233 PolarHBondContact O-N 3.31Å; L231-A234 PolarHBondContact O-N 3.25Å; L231-F235 WeakPolarHBondContact O-CB 3.31Å; L231-F235 PolarHBondContact O-N 3.18Å
232P66.6Low67.4Low49 Ų4990.4 Ų90.432%0.31848%0.482SS..Hα-helixtrans-64.2-37.1175.5-21.832.8000112F228 F235 R236F228-P232 HydrophobicContact CD1-CG 4.43Å; F228-P232 HydrophobicContact CE1-CG 3.88Å; F228-P232 HydrophobicContact CZ-CG 4.21Å; F228-P232 WeakPolarHBondContact O-CD 3.36Å; P232-F235 PolarHBondContact O-N 3.48Å; P232-R236 WeakPolarHBondContact O-CB 3.44Å; P232-R236 WeakPolarHBondContact O-CG 3.42Å; P232-R236 PolarHBondContact O-N 2.79Å
233I68.4Low68.8Low119 Ų11990.2 Ų90.261%0.6149%0.487SS*.Hα-helixtrans-64.7-45.7176-61.9176.6000109.5F229 L231 F235 R236 F237F229-I233 VanDerWaalsContact O-CD1 3.28Å; F229-I233 WeakPolarHBondContact O-CD1 3.46Å; F229-I233 VanDerWaalsContact O-CG1 3.29Å; F229-I233 WeakPolarHBondContact O-CG1 3.45Å; L231-I233 VanDerWaalsContact C-N 3.33Å; L231-I233 PolarHBondContact O-N 3.31Å; I233-F235 PolarHBondContact O-N 2.87Å; I233-R236 PolarHBondContact O-N 3.34Å; I233-F237 VanDerWaalsContact O-CB 3.31Å; I233-F237 WeakPolarHBondContact O-CB 3.43Å; I233-F237 PolarHBondContact O-N 2.79Å
234A69.9Low70.4Confident57 Ų5790.7 Ų90.747%0.47149%0.485SS..Hα-helixtrans-63.6-39.6175.100000112.2S230 L231 F237 L238S230-A234 WeakPolarHBondContact O-CB 3.31Å; S230-A234 PolarHBondContact O-N 2.85Å; L231-A234 PolarHBondContact O-N 3.25Å; A234-F237 PolarHBondContact O-N 3.33Å; A234-L238 VanDerWaalsContact O-CB 3.3Å; A234-L238 WeakPolarHBondContact O-CB 3.26Å; A234-L238 PolarHBondContact O-N 3.42Å
235F73.3Confident71.7Confident134 Ų13492.6 Ų92.659%0.58848%0.479SS*.Hα-helixtrans-66.4-45.2178-169.6-91.1000111.4L231 P232 I233 F237 L238 E239L231-F235 WeakPolarHBondContact O-CB 3.31Å; L231-F235 PolarHBondContact O-N 3.18Å; P232-F235 PolarHBondContact O-N 3.48Å; I233-F235 PolarHBondContact O-N 2.87Å; F235-F237 VanDerWaalsContact C-N 3.32Å; F235-F237 PolarHBondContact O-N 2.99Å; F235-L238 WeakPolarHBondContact O-CB 3.25Å; F235-L238 PolarHBondContact O-N 3.08Å; F235-E239 WeakPolarHBondContact O-CB 3.29Å; F235-E239 PolarHBondContact O-N 3.45Å
236R75.6Confident72.8Confident140 Ų14096.1 Ų96.153%0.52848%0.484SS..Hα-helixtrans-61.4-40.9173.9-72.4-79.5-154.7-172.97.3111.5P232 I233 E239 K240P232-R236 WeakPolarHBondContact O-CB 3.44Å; P232-R236 WeakPolarHBondContact O-CG 3.42Å; P232-R236 PolarHBondContact O-N 2.79Å; I233-R236 PolarHBondContact O-N 3.34Å; R236-E239 PolarHBondContact O-N 3.1Å; R236-K240 WeakPolarHBondContact O-CB 3.21Å; R236-K240 WeakPolarHBondContact O-CG 3.43Å; R236-K240 PolarHBondContact O-N 3.12Å
237F73.9Confident74Confident154 Ų15494 Ų9468%0.67548%0.481SS*.Hα-helixtrans-64.8-41.9175.7-168.1-93.2000111.4I233 A234 F235 K240 S241I233-F237 VanDerWaalsContact O-CB 3.31Å; I233-F237 WeakPolarHBondContact O-CB 3.43Å; I233-F237 PolarHBondContact O-N 2.79Å; A234-F237 PolarHBondContact O-N 3.33Å; F235-F237 VanDerWaalsContact C-N 3.32Å; F235-F237 PolarHBondContact O-N 2.99Å; F237-K240 PolarHBondContact O-N 3.17Å; F237-S241 WeakPolarHBondContact O-CB 3.46Å; F237-S241 PolarHBondContact O-N 3.17Å
238L77.3Confident75.1Confident90 Ų9097.1 Ų97.147%0.47149%0.488SS..Hα-helixtrans-63.5-46.1175.7-17564.9000111.2A234 F235 K240 S241 I242A234-L238 VanDerWaalsContact O-CB 3.3Å; A234-L238 WeakPolarHBondContact O-CB 3.26Å; A234-L238 PolarHBondContact O-N 3.42Å; F235-L238 WeakPolarHBondContact O-CB 3.25Å; F235-L238 PolarHBondContact O-N 3.08Å; L238-K240 PolarHBondContact O-N 3.09Å; L238-S241 WeakPolarHBondContact CA-OG 3.42Å; L238-S241 PolarHBondContact O-N 3.02Å; L238-S241 VanDerWaalsContact O-N 3.09Å; L238-S241 PolarHBondContact O-OG 3.01Å; L238-I242 HydrophobicContact CD1-CD1 4.37Å; L238-I242 HydrophobicContact CG-CD1 4.02Å; L238-I242 WeakPolarHBondContact O-CG1 3.28Å; L238-I242 PolarHBondContact O-N 3.17Å
239E79.4Confident75.9Confident106 Ų10699.9 Ų99.950%0.49551%0.508SS..Hα-helixtrans-59.9-46.5177.5-161.2-178.6-164.900111.1F235 R236 S241 I242 A243F235-E239 WeakPolarHBondContact O-CB 3.29Å; F235-E239 PolarHBondContact O-N 3.45Å; R236-E239 PolarHBondContact O-N 3.1Å; E239-S241 VanDerWaalsContact C-N 3.32Å; E239-S241 PolarHBondContact O-N 2.95Å; E239-I242 PolarHBondContact O-N 3Å; E239-A243 WeakPolarHBondContact O-CB 3.28Å; E239-A243 PolarHBondContact O-N 3.18Å
240K79.5Confident76.8Confident114 Ų11499.6 Ų99.650%0.49651%0.513SS..Hα-helixtrans-59.9-40.5172.7-75.3-178.3-178.1174.40111.4D174 R236 F237 L238 A243 L244D174-K240 IonicContact OD1-NZ 3.88Å; D174-K240 PolarHBondContact OD1-NZ 2.88Å; R236-K240 WeakPolarHBondContact O-CB 3.21Å; R236-K240 WeakPolarHBondContact O-CG 3.43Å; R236-K240 PolarHBondContact O-N 3.12Å; F237-K240 PolarHBondContact O-N 3.17Å; L238-K240 PolarHBondContact O-N 3.09Å; K240-A243 PolarHBondContact O-N 3.39Å; K240-L244 WeakPolarHBondContact O-CB 3.35Å; K240-L244 PolarHBondContact O-N 2.88Å
241S78Confident77.5Confident34 Ų34102.2 Ų102.224%0.23852%0.518CS..Hα-helixtrans-68.5-37.9179.780.10000113.4F237 L238 E239 L244 R245F237-S241 WeakPolarHBondContact O-CB 3.46Å; F237-S241 PolarHBondContact O-N 3.17Å; L238-S241 WeakPolarHBondContact CA-OG 3.42Å; L238-S241 PolarHBondContact O-N 3.02Å; L238-S241 VanDerWaalsContact O-N 3.09Å; L238-S241 PolarHBondContact O-OG 3.01Å; E239-S241 VanDerWaalsContact C-N 3.32Å; E239-S241 PolarHBondContact O-N 2.95Å; S241-L244 PolarHBondContact O-N 2.82Å; S241-R245 WeakPolarHBondContact O-CG 3.45Å; S241-R245 PolarHBondContact O-N 3.46Å
242I80.6Confident78.2Confident104 Ų104102.2 Ų102.253%0.53353%0.526SS..Hα-helixtrans-67.4-46176.2-68.8168.5000109.6L238 E239 L244 R245 F246L238-I242 HydrophobicContact CD1-CD1 4.37Å; L238-I242 HydrophobicContact CG-CD1 4.02Å; L238-I242 WeakPolarHBondContact O-CG1 3.28Å; L238-I242 PolarHBondContact O-N 3.17Å; E239-I242 PolarHBondContact O-N 3Å; I242-L244 VanDerWaalsContact C-N 3.32Å; I242-L244 PolarHBondContact O-N 3.46Å; I242-R245 PolarHBondContact O-N 3.3Å; I242-F246 WeakPolarHBondContact O-CB 3.45Å; I242-F246 PolarHBondContact O-N 3.37Å
243A84.3Confident78.3Confident61 Ų61104.2 Ų104.250%0.50454%0.541SS..Hα-helixtrans-60.4-41.5176.600000112E239 K240 F246 A247E239-A243 WeakPolarHBondContact O-CB 3.28Å; E239-A243 PolarHBondContact O-N 3.18Å; K240-A243 PolarHBondContact O-N 3.39Å; A243-F246 PolarHBondContact O-N 2.75Å; A243-A247 PolarHBondContact O-N 3.02Å
244L83.1Confident78Confident110 Ų110103 Ų10358%0.57654%0.543SS*.Hα-helixtrans-63.3-44.6177.2-162.390.6000111.8K240 S241 I242 A247 Q248K240-L244 WeakPolarHBondContact O-CB 3.35Å; K240-L244 PolarHBondContact O-N 2.88Å; S241-L244 PolarHBondContact O-N 2.82Å; I242-L244 VanDerWaalsContact C-N 3.32Å; I242-L244 PolarHBondContact O-N 3.46Å; L244-A247 PolarHBondContact O-N 3.35Å; L244-Q248 WeakPolarHBondContact O-CG 3.25Å; L244-Q248 PolarHBondContact O-N 3.41Å
245R82.1Confident77.3Confident170 Ų170105.6 Ų105.664%0.64255%0.553SS**Hα-helixtrans-63.8-42.3176.5-73.7-176.7-170.5-172.84.7111.7S241 I242 A247 Q248 T249S241-R245 WeakPolarHBondContact O-CG 3.45Å; S241-R245 PolarHBondContact O-N 3.46Å; I242-R245 PolarHBondContact O-N 3.3Å; R245-A247 VanDerWaalsContact C-N 3.3Å; R245-A247 PolarHBondContact O-N 3.4Å; R245-Q248 PolarHBondContact O-N 3.31Å; R245-T249 PolarHBondContact O-N 3.46Å; R245-T249 PolarHBondContact O-OG1 3.04Å; R245-T249 VanDerWaalsContact O-OG1 3.08Å
246F82.8Confident76.6Confident150 Ų150103.5 Ų103.566%0.65856%0.561SS**Hα-helixtrans-60.1-42.6176.7-167.9-96000111.3I242 A243 Q248 T249 V250I242-F246 WeakPolarHBondContact O-CB 3.45Å; I242-F246 PolarHBondContact O-N 3.37Å; A243-F246 PolarHBondContact O-N 2.75Å; F246-Q248 PolarHBondContact O-N 2.94Å; F246-T249 PolarHBondContact O-N 3.08Å; F246-V250 HydrophobicContact CD1-CG2 4.38Å; F246-V250 HydrophobicContact CE1-CG2 4.13Å; F246-V250 WeakPolarHBondContact O-CG2 3.26Å; F246-V250 PolarHBondContact O-N 3.12Å; F246-V250 VanDerWaalsContact O-N 3.17Å
247A84.2Confident75.6Confident50 Ų50105 Ų10541%0.41357%0.573SS.*Hα-helixtrans-63.5-39.7175.500000113.1A243 L244 R245 V250 Q251A243-A247 PolarHBondContact O-N 3.02Å; L244-A247 PolarHBondContact O-N 3.35Å; R245-A247 VanDerWaalsContact C-N 3.3Å; R245-A247 PolarHBondContact O-N 3.4Å; A247-V250 PolarHBondContact O-N 3.48Å; A247-Q251 PolarHBondContact O-N 2.91Å
248Q81.3Confident74.8Confident110 Ų110103 Ų10351%0.51458%0.578SS.*Hα-helixtrans-67.3-39.1176.7-74.8178.1-13.200112.9L244 R245 F246 V250 Q251 S252L244-Q248 WeakPolarHBondContact O-CG 3.25Å; L244-Q248 PolarHBondContact O-N 3.41Å; R245-Q248 PolarHBondContact O-N 3.31Å; F246-Q248 PolarHBondContact O-N 2.94Å; Q248-V250 VanDerWaalsContact C-N 3.32Å; Q248-V250 PolarHBondContact O-N 2.92Å; Q248-Q251 PolarHBondContact O-N 3.36Å; Q248-S252 PolarHBondContact O-N 3.4Å; Q248-S252 PolarHBondContact O-OG 3.24Å
249T81.3Confident74.1Confident97 Ų97104.6 Ų104.660%0.59559%0.594SS**Hα-helixtrans-62.6-40.7175.9-58.70000111.3R245 F246 Q251 S252 S253R245-T249 PolarHBondContact O-N 3.46Å; R245-T249 PolarHBondContact O-OG1 3.04Å; R245-T249 VanDerWaalsContact O-OG1 3.08Å; F246-T249 PolarHBondContact O-N 3.08Å; T249-Q251 VanDerWaalsContact C-N 3.32Å; T249-Q251 PolarHBondContact O-N 2.96Å; T249-S252 PolarHBondContact O-N 2.84Å; T249-S253 PolarHBondContact O-N 3.04Å
250V80.9Confident73.2Confident84 Ų84108.9 Ų108.951%0.50961%0.611SS.*Hα-helixtrans-66.9-32.5177.1174.20000112F246 A247 Q248 S253F246-V250 HydrophobicContact CD1-CG2 4.38Å; F246-V250 HydrophobicContact CE1-CG2 4.13Å; F246-V250 WeakPolarHBondContact O-CG2 3.26Å; F246-V250 PolarHBondContact O-N 3.12Å; F246-V250 VanDerWaalsContact O-N 3.17Å; A247-V250 PolarHBondContact O-N 3.48Å; Q248-V250 VanDerWaalsContact C-N 3.32Å; Q248-V250 PolarHBondContact O-N 2.92Å; V250-S253 PolarHBondContact O-OG 3.21Å
251Q80.2Confident72.1Confident124 Ų124111.2 Ų111.258%0.57963%0.629SS**Hα-helixtrans-75.1-38.8176.1-72.8-176.32.200112.5A247 Q248 T249 S253 S254A247-Q251 PolarHBondContact O-N 2.91Å; Q248-Q251 PolarHBondContact O-N 3.36Å; T249-Q251 VanDerWaalsContact C-N 3.32Å; T249-Q251 PolarHBondContact O-N 2.96Å; Q251-S253 VanDerWaalsContact C-N 3.28Å; Q251-S253 PolarHBondContact O-N 3.01Å; Q251-S254 PolarHBondContact O-N 3.29Å; Q251-S254 PolarHBondContact O-OG 2.94Å
252S79.4Confident71.1Confident90 Ų90114.4 Ų114.463%0.62966%0.657SS**Hα-helixtrans-69.8-22.8-176.2-560000113.5Q248 T249 S254Q248-S252 PolarHBondContact O-N 3.4Å; Q248-S252 PolarHBondContact O-OG 3.24Å; T249-S252 PolarHBondContact O-N 2.84Å; S252-S254 VanDerWaalsContact C-N 3.33Å
253S69.1Low69.9Low91 Ų91113.1 Ų113.164%0.63667%0.67SS**THydrogen-bonded Turntrans-80.4-8.3178.160.10000114.4T249 V250 Q251T249-S253 PolarHBondContact O-N 3.04Å; V250-S253 PolarHBondContact O-OG 3.21Å; Q251-S253 VanDerWaalsContact C-N 3.28Å; Q251-S253 PolarHBondContact O-N 3.01Å
254S62.6Low68.4Low94 Ų94119.6 Ų119.666%0.65769%0.686SS**THydrogen-bonded Turntrans-92.9-5.6-173.470.60000115.7Q251 S252 A256Q251-S254 PolarHBondContact O-N 3.29Å; Q251-S254 PolarHBondContact O-OG 2.94Å; S252-S254 VanDerWaalsContact C-N 3.33Å; S254-A256 PolarHBondContact O-N 3.39Å; S254-A256 VanDerWaalsContact O-N 3.16Å
255T55.1Low66.9Low111 Ų111123.8 Ų123.868%0.68170%0.7SS**  trans-87.349.517133.50000112.1H257T255-H257 PolarHBondContact O-N 2.99Å
256A58.9Low65.3Low90 Ų90121.3 Ų121.374%0.74471%0.708SS**  trans-81.297.3161.700000107.7S254 S258S254-A256 PolarHBondContact O-N 3.39Å; S254-A256 VanDerWaalsContact O-N 3.16Å; A256-S258 PolarHBondContact O-N 3.37Å
257H53.9Low63.5Low171 Ų171124.5 Ų124.579%0.79272%0.721SS**  trans-45.6118.9174.9-76.5-87.2000111.3T255 P259T255-H257 PolarHBondContact O-N 2.99Å; H257-P259 WeakPolarHBondContact O-CD 3.38Å
258S56.3Low61.6Low111 Ų111126.1 Ų126.178%0.77674%0.743SS**  trans-58.1116.9167.5-176.70000108.5A256 K260A256-S258 PolarHBondContact O-N 3.37Å; S258-K260 PolarHBondContact O-N 2.91Å
259P63.5Low59.8Low124 Ų124124.4 Ų124.481%0.80576%0.755SS**  trans-71.799.2-177.627.4-30.8000108.3H257 D261H257-P259 WeakPolarHBondContact O-CD 3.38Å; P259-D261 PolarHBondContact O-N 3.41Å
260K60.5Low58.1Low197 Ų197125.5 Ų125.586%0.85777%0.766SS**  trans-82116.2169.9-152.5173.8-172.5176.30107.9S258 A262S258-K260 PolarHBondContact O-N 2.91Å; K260-A262 PolarHBondContact O-N 2.92Å
261D55.4Low56.9Low163 Ų163126.6 Ų126.687%0.87278%0.778SS**  trans-17.7115.2166.8-82.5-49.2000114.9P259P259-D261 PolarHBondContact O-N 3.41Å
262A57.7Low56Low100 Ų100127.3 Ų127.383%0.82679%0.786SS**  trans-156.6116.6148.100000109.1K260K260-A262 PolarHBondContact O-N 2.92Å
263G54.8Low55Low77 Ų77129.6 Ų129.679%0.79479%0.791SS**  trans-65.9152.2-171.700000115.6
264K53Low54.8Low197 Ų197130.6 Ų130.686%0.85780%0.798SS**  63.391.3125.6-155.7177.6-169.8176.10116.8
265K51.8Low54.8Low198 Ų198130.9 Ų130.986%0.86180%0.796SS**  -177.3131106.5-107.3172177.1177.40111.8
266C49.5Very low54.9Low119 Ų119131.3 Ų131.380%0.80479%0.794SS**  trans-71.2129.3178.1-50.30000111.9
267F44.4Very low55.2Low216 Ų216133.4 Ų133.495%0.94779%0.788SS**  trans-159.8104.5145.3-89.1-76.3000103.9
268G44.3Very low55.8Low85 Ų85129.5 Ų129.588%0.87678%0.776SS**  95.883.678.400000108
269G42.5Very low56.1Low73 Ų73132.6 Ų132.675%0.75377%0.77SS**  trans-166.298.7-178.100000111.3S271G269-S271 PolarHBondContact O-N 3.48Å
270S45.9Very low56.3Low120 Ų120132.5 Ų132.584%0.83976%0.763SS**  trans-48.9123.7176.2170.70000111.9
271S55.9Low56.6Low108 Ų108128.4 Ų128.476%0.75575%0.751SS**  trans-138.2126.2164.81730000107.3G269 D273G269-S271 PolarHBondContact O-N 3.48Å; S271-D273 PolarHBondContact O-N 3.42Å; S271-D273 VanDerWaalsContact O-N 3.09Å
272N62Low57.2Low139 Ų139128 Ų12874%0.74375%0.749SS**  trans-68.9105.8-166.8-50.5-26.9000109S274N272-S274 PolarHBondContact O-N 3.02Å; N272-S274 VanDerWaalsContact O-N 3.1Å
273D57.9Low57.5Low137 Ų137130.9 Ų130.973%0.73375%0.75SS**  trans-70.7102.6-178.5-1638000108.9S271 T275S271-D273 PolarHBondContact O-N 3.42Å; S271-D273 VanDerWaalsContact O-N 3.09Å; D273-T275 PolarHBondContact O-N 3.33Å; D273-T275 VanDerWaalsContact O-N 3.09Å
274S66.2Low58Low112 Ų112136.1 Ų136.178%0.78375%0.754SS**  trans-79.681.9167.4-630000107N272 L276N272-S274 PolarHBondContact O-N 3.02Å; N272-S274 VanDerWaalsContact O-N 3.1Å; S274-L276 PolarHBondContact O-N 2.82Å
275T61.9Low58.5Low100 Ų100130.5 Ų130.561%0.61375%0.751SS**  trans-65.3113.3179.2-47.70000109.5D273D273-T275 PolarHBondContact O-N 3.33Å; D273-T275 VanDerWaalsContact O-N 3.09Å
276L57.4Low58.9Low121 Ų121124 Ų12463%0.63474%0.735SS**  trans-91.5103.4176.9-141165.4000107S274 V278 V289S274-L276 PolarHBondContact O-N 2.82Å; L276-V278 HydrophobicContact CD2-CG2 4.34Å; L276-V289 HydrophobicContact CD2-CG1 4.45Å
277E64.9Low59.8Low134 Ų134123 Ų12363%0.62673%0.725SS**  trans-82.7117.2175.5-69.1-163.7-176.400109.6R279E277-R279 IonicContact OE2-NE 3.98Å; E277-R279 IonicContact OE2-NH2 3.72Å
278V66.7Low60.9Low88 Ų88117.8 Ų117.853%0.53371%0.706SS.*  trans-100.3124.7168.6-179.10000106.6L276 V287L276-V278 HydrophobicContact CD2-CG2 4.34Å; V278-V287 HydrophobicContact CG1-CG1 4.41Å
279R61.5Low62.3Low176 Ų176117.6 Ų117.666%0.66469%0.688SS**  trans-113.1126.6171.3-68.9-173.8177.3-175.2-1.1108.3E277E277-R279 IonicContact OE2-NE 3.98Å; E277-R279 IonicContact OE2-NH2 3.72Å
280D67.6Low63.6Low122 Ų122119 Ų11965%0.65269%0.685SS**  trans-87.8104.7172.7-63.2-40.2000107.2
281D67.4Low64.2Low112 Ų112120.9 Ų120.960%0.59968%0.681SS**  trans-88.6110.9170.1-78.9-41.8000108.2D283D281-D283 PolarHBondContact O-N 2.83Å; D281-D283 VanDerWaalsContact O-N 3.09Å
282D68.9Low64.6Low155 Ų155127 Ų12783%0.82969%0.687SS**THydrogen-bonded Turntrans-71.32-164.9-78.5-38.4000116.2
283D63.2Low64.6Low160 Ų160124.3 Ų124.386%0.85669%0.685SS**THydrogen-bonded Turntrans-111.5-6-169-80.6-36.8000117.2D281D281-D283 PolarHBondContact O-N 2.83Å; D281-D283 VanDerWaalsContact O-N 3.09Å
284E66.1Low65.2Low187 Ų187123.5 Ų123.587%0.87468%0.684SS**THydrogen-bonded Turntrans-151.913.6175.1-118.8174.6-169.700116.6A286E284-A286 PolarHBondContact O-N 2.96Å; E284-A286 VanDerWaalsContact O-N 3.17Å
285G63Low64.9Low78 Ų78125.5 Ų125.580%0.80469%0.686SS**  trans6617.8171.400000115.1
286A59Low65.5Low63 Ų63126.8 Ų126.852%0.52169%0.689SS.*  trans-97113.4174.800000110.3E284 I288E284-A286 PolarHBondContact O-N 2.96Å; E284-A286 VanDerWaalsContact O-N 3.17Å; A286-I288 PolarHBondContact O-N 3.24Å
287V69.6Low65.9Low97 Ų97129.9 Ų129.959%0.58870%0.701SS**  trans-81.2110.4170.7179.30000108.2V278 V289V278-V287 HydrophobicContact CG1-CG1 4.41Å; V287-V289 HydrophobicContact CG1-CG2 4.32Å
288I67.3Low65.9Low106 Ų106132.7 Ų132.754%0.54471%0.711SS.*  trans-90.3112.2177.4-56.5175.2000108.7A286A286-I288 PolarHBondContact O-N 3.24Å
289V74.1Confident65.6Low82 Ų82137 Ų13750%0.49773%0.725SS.*  trans-94.6100.1172.1-175.40000108.2L276 V287L276-V289 HydrophobicContact CD2-CG1 4.45Å; V287-V289 HydrophobicContact CG1-CG2 4.32Å
290S69.9Low65.9Low101 Ų101134.6 Ų134.671%0.70673%0.732SS**  trans-89.9114172.9-79.40000111R292S290-R292 PolarHBondContact O-N 3.42Å
291H57.9Low66Low160 Ų160141.5 Ų141.574%0.74176%0.761SS**  trans-79.5114.3166.4-71-81.7000108.7A293H291-A293 PolarHBondContact O-N 2.78Å
292R63.2Low65.9Low237 Ų237143 Ų14389%0.89477%0.769SS**  trans-70.6102.2169.8-164.1178-161.5-176.45.3107.5S290 V294S290-R292 PolarHBondContact O-N 3.42Å; R292-V294 PolarHBondContact O-N 3.09Å; R292-V294 VanDerWaalsContact O-N 3.17Å
293A63.2Low65.8Low83 Ų83142.4 Ų142.469%0.68677%0.766SS**  trans-58.4121.1170.500000108H291 N295H291-A293 PolarHBondContact O-N 2.78Å; A293-N295 PolarHBondContact O-N 3.17Å; A293-N295 VanDerWaalsContact O-N 3.12Å
294V70.3Confident65.9Low119 Ų119141.4 Ų141.472%0.72176%0.761SS**  trans-65.7111.8171.1-177.70000105.4R292 D296R292-V294 PolarHBondContact O-N 3.09Å; R292-V294 VanDerWaalsContact O-N 3.17Å; V294-D296 VanDerWaalsContact C-N 3.25Å; V294-D296 PolarHBondContact O-N 3.13Å
295N61Low65.9Low154 Ų154138.7 Ų138.782%0.82475%0.754SS**  trans-66.592.8172-106.95.3000106.9A293 Q297A293-N295 PolarHBondContact O-N 3.17Å; A293-N295 VanDerWaalsContact O-N 3.12Å; N295-Q297 PolarHBondContact O-N 3.43Å
296D73Confident66.1Low127 Ų127142.5 Ų142.568%0.67975%0.751SS**  trans-67102.2166.2-73.6-26000106.9V294 F298V294-D296 VanDerWaalsContact C-N 3.25Å; V294-D296 PolarHBondContact O-N 3.13Å; D296-F298 PolarHBondContact O-N 3.08Å
297Q66.2Low66.5Low187 Ų187147.8 Ų147.887%0.87477%0.766SS**  trans-60.7100.6168.1-78.4-178.3-10.300107.6N295 E299N295-Q297 PolarHBondContact O-N 3.43Å; Q297-E299 PolarHBondContact O-N 3.45Å; Q297-E299 VanDerWaalsContact O-N 3.15Å
298F64.1Low66.3Low192 Ų192151.4 Ų151.484%0.84278%0.779SS**  trans-68.8104.4162.2-88.3-91.8000107.8D296 P300D296-F298 PolarHBondContact O-N 3.08Å; F298-P300 WeakPolarHBondContact O-CD 3.45Å
299E61.7Low66.3Low180 Ų180154.9 Ų154.984%0.84180%0.797SS**  trans-64.1121.7162.7-90.4-168.4149.200108.8Q297Q297-E299 PolarHBondContact O-N 3.45Å; Q297-E299 VanDerWaalsContact O-N 3.15Å
300P67.4Low65.6Low124 Ų124161 Ų16181%0.80582%0.822SS**  trans-73.6126.2170.528.8-29.3000109.4F298F298-P300 WeakPolarHBondContact O-CD 3.45Å
301Q69.3Low65.2Low268 Ų268166.5 Ų166.5100%1.25283%0.833SS**  trans-67.80171.4-70.9-171.7-16.300112.5

Retrieved 301 of 301 residues in 227.2 ms (Link to these results)