A0A077Z371_TRITR Loading...

Transcriptional repressor p66 coiled-coil MBD2-interaction domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z371, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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
1M38.3Very low36.3Very low238 Ų238159.9 Ų159.9100%1.17285%0.845SS**  080.70-169.3-176.2-105.900107.5
2I34.8Very low35.9Very low167 Ų167160.8 Ų160.886%0.85685%0.849SS**  trans-145.4117.3162.1-61-175.7000104.3
3D37.2Very low35.8Very low146 Ų146156.5 Ų156.578%0.78184%0.838SS**  trans-61.3138.5-172.3-72.1-52.4000112.6F5D3-F5 PolarHBondContact O-N 3.01Å; D3-F5 VanDerWaalsContact O-N 3.09Å
4L36.8Very low36Very low165 Ų165160.1 Ų160.186%0.86484%0.843SS**  trans-59.8104162.3-73.4155.7000107.9V6L4-V6 PolarHBondContact O-N 3.05Å
5F39.8Very low35.8Very low204 Ų204154.9 Ų154.990%0.89584%0.843SS**  trans-69.4100.7167.2-131.2-96.1000107.7D3 S7D3-F5 PolarHBondContact O-N 3.01Å; D3-F5 VanDerWaalsContact O-N 3.09Å; F5-S7 PolarHBondContact O-N 3.27Å
6V34.4Very low36.1Very low121 Ų121156.3 Ų156.373%0.73384%0.838SS**PPolyproline II helixtrans-63.2119.3175.6172.40000108.6L4L4-V6 PolarHBondContact O-N 3.05Å
7S35.1Very low36.3Very low96 Ų96157.4 Ų157.467%0.67184%0.843SS**PPolyproline II helixtrans-52.6142.1171.4-70.60000111.8F5 S9F5-S7 PolarHBondContact O-N 3.27Å; S7-S9 PolarHBondContact O-N 3.39Å; S7-S9 VanDerWaalsContact O-N 3.15Å
8P40.1Very low36.4Very low118 Ų118154.9 Ų154.977%0.76684%0.839SS**PPolyproline II helixtrans-59.8120.2172.1-18.730.6000110.2F10P8-F10 PolarHBondContact O-N 3.46Å
9S33.1Very low36.9Very low113 Ų113151.7 Ų151.779%0.7982%0.821SS**PPolyproline II helixtrans-60.6117172.1-55.90000109.6S7 Q11S7-S9 PolarHBondContact O-N 3.39Å; S7-S9 VanDerWaalsContact O-N 3.15Å; S9-Q11 PolarHBondContact O-N 3.5Å
10F36.1Very low37.4Very low210 Ų210149.2 Ų149.292%0.92181%0.813SS**  trans-64.2104.4166.9-91-98.5000108.5P8 L12P8-F10 PolarHBondContact O-N 3.46Å; F10-L12 PolarHBondContact O-N 3.02Å
11Q33.9Very low37.9Very low181 Ų181145.4 Ų145.485%0.84680%0.797SS**  trans-76.5116.1172-1431661.900108S9 C13S9-Q11 PolarHBondContact O-N 3.5Å; Q11-C13 VanDerWaalsContact C-N 3.3Å; Q11-C13 PolarHBondContact O-N 3.15Å
12L30.9Very low38.2Very low171 Ų171138.4 Ų138.490%0.89577%0.768SS**  trans-66.682.5-178.8-155.788.5000109.7F10 K14F10-L12 PolarHBondContact O-N 3.02Å; L12-K14 PolarHBondContact O-N 2.65Å
13C34.5Very low38.7Very low104 Ų104134.8 Ų134.870%0.70375%0.753SS**  trans-72.5111.3170.4-81.20000108.9Q11 G15Q11-C13 VanDerWaalsContact C-N 3.3Å; Q11-C13 PolarHBondContact O-N 3.15Å; C13-G15 PolarHBondContact O-N 3.41Å; C13-G15 VanDerWaalsContact O-N 3.11Å
14K38.9Very low39Very low208 Ų208137.5 Ų137.590%0.90475%0.753SS**THydrogen-bonded Turntrans-46113.6176.6-71.1174.8173.3176.90111.5L12 K16L12-K14 PolarHBondContact O-N 2.65Å; K14-K16 PolarHBondContact O-N 3.12Å
15G33.7Very low39.3Very low82 Ų82136.1 Ų136.185%0.84575%0.746SS**THydrogen-bonded Turntrans80.19.9143.500000119.4C13C13-G15 PolarHBondContact O-N 3.41Å; C13-G15 VanDerWaalsContact O-N 3.11Å
16K40.2Very low39.7Very low177 Ų177130.2 Ų130.277%0.7773%0.73SS**  trans-133.3122.9165.4-71.5-171.7-179.7-177.90110.6K14 C18K14-K16 PolarHBondContact O-N 3.12Å; K16-C18 VanDerWaalsContact C-N 3.34Å; K16-C18 PolarHBondContact O-N 3.14Å
17L38.8Very low40.1Very low175 Ų175130.2 Ų130.292%0.91673%0.726SS**  trans-61.391.7175.7-154.783.9000108.2D19L17-D19 PolarHBondContact O-N 2.97Å; L17-D19 VanDerWaalsContact O-N 3.12Å
18C39.2Very low40.5Very low113 Ų113129.4 Ų129.476%0.76472%0.72SS**  trans-77.596.4173.9-74.50000108.4K16 P20K16-C18 VanDerWaalsContact C-N 3.34Å; K16-C18 PolarHBondContact O-N 3.14Å; C18-P20 WeakPolarHBondContact O-CD 3.44Å
19D44.9Very low40.6Very low93 Ų93134.3 Ų134.350%0.49772%0.723SS.*  trans-66.3116.8172.3-154.5-38.6000109.3L17 S21 V22L17-D19 PolarHBondContact O-N 2.97Å; L17-D19 VanDerWaalsContact O-N 3.12Å; D19-S21 VanDerWaalsContact CG-OG 3.29Å; D19-S21 PolarHBondContact O-N 3.39Å; D19-S21 PolarHBondContact OD1-OG 2.98Å; D19-V22 HydrophobicContact CB-CG2 4.39Å; D19-V22 PolarHBondContact O-N 3.35Å
20P48.2Very low41Very low102 Ų102136.3 Ų136.366%0.66272%0.72SS**THydrogen-bonded Turntrans-64.1-14-175.622-30.4000113.4C18 V22 T23C18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-V22 VanDerWaalsContact C-N 3.31Å; P20-V22 PolarHBondContact O-N 2.97Å; P20-T23 PolarHBondContact O-OG1 3.22Å; P20-T23 VanDerWaalsContact O-OG1 3.07Å
21S46.3Very low41Very low70 Ų70134.8 Ų134.849%0.4972%0.716SS.*Hα-helixtrans-67.1-24.9176.158.50000114.2D19D19-S21 VanDerWaalsContact CG-OG 3.29Å; D19-S21 PolarHBondContact O-N 3.39Å; D19-S21 PolarHBondContact OD1-OG 2.98Å
22V44.7Very low41.1Very low91 Ų91133.6 Ų133.655%0.55271%0.713SS**Hα-helixtrans-79.7-25.3-175.2-176.10000112.5D19 P20 W24 L25D19-V22 HydrophobicContact CB-CG2 4.39Å; D19-V22 PolarHBondContact O-N 3.35Å; P20-V22 VanDerWaalsContact C-N 3.31Å; P20-V22 PolarHBondContact O-N 2.97Å; V22-W24 VanDerWaalsContact C-N 3.33Å; V22-W24 PolarHBondContact O-N 3.44Å; V22-L25 PolarHBondContact O-N 3.45Å
23T47Very low41.6Very low91 Ų91131 Ų13156%0.55871%0.705SS**Hα-helixtrans-72.5-25.7178.960.30000113.5P20 S26 N27P20-T23 PolarHBondContact O-OG1 3.22Å; P20-T23 VanDerWaalsContact O-OG1 3.07Å; T23-S26 PolarHBondContact O-N 3.09Å; T23-N27 PolarHBondContact O-N 2.95Å
24W42.8Very low41.5Very low203 Ų203137.3 Ų137.377%0.76971%0.714SS**Hα-helixtrans-69.4-32.7177.8-108.780.9000112.9V22 S28V22-W24 VanDerWaalsContact C-N 3.33Å; V22-W24 PolarHBondContact O-N 3.44Å; W24-S28 PolarHBondContact O-N 3.09Å; W24-S28 PolarHBondContact O-OG 3.48Å
25L43.5Very low41.8Very low136 Ų136137.2 Ų137.271%0.71271%0.713SS**Hα-helixtrans-73.1-33176.3-88151000112.4V22V22-L25 PolarHBondContact O-N 3.45Å
26S48Very low41.8Very low80 Ų80141.7 Ų141.756%0.55971%0.712SS**Hα-helixtrans-72.6-34.3176.7-60.40000113T23T23-S26 PolarHBondContact O-N 3.09Å
27N42.2Very low41.6Very low121 Ų121144.5 Ų144.565%0.64772%0.718SS**Hα-helixtrans-76.8-25.7178.8-91.5-10.1000113.9T23 R29 Q30T23-N27 PolarHBondContact O-N 2.95Å; N27-R29 VanDerWaalsContact C-N 3.28Å; N27-R29 PolarHBondContact O-N 3.14Å; N27-Q30 PolarHBondContact O-N 2.66Å
28S44.4Very low41.6Very low79 Ų79142 Ų14255%0.55271%0.712SS**Hα-helixtrans-72.7-19.3178.5-63.80000113.4W24W24-S28 PolarHBondContact O-N 3.09Å; W24-S28 PolarHBondContact O-OG 3.48Å
29R41.1Very low41.6Very low221 Ų221146.1 Ų146.183%0.83472%0.717SS**THydrogen-bonded Turntrans-78.9-12.9177.9-100-175.7179-134.60.9114.7N27N27-R29 VanDerWaalsContact C-N 3.28Å; N27-R29 PolarHBondContact O-N 3.14Å
30Q41.6Very low41.3Very low154 Ų154147.9 Ų147.972%0.7273%0.733SS**THydrogen-bonded Turntrans-99.9-1.2-176.7-71.4-169.5-1.500115.2N27N27-Q30 PolarHBondContact O-N 2.66Å
31Q35.8Very low41.1Very low178 Ų178147.8 Ų147.883%0.83274%0.742SS**  trans-100.623.6175.2-67.5-161.89.300114.6V33Q31-V33 PolarHBondContact O-N 2.87Å; Q31-V33 VanDerWaalsContact O-N 3.09Å
32I36.4Very low40.5Very low156 Ų156147.9 Ų147.980%0.875%0.753SS**  trans-83.164157.3-53.8175000107.4
33V40.4Very low39.9Very low118 Ų118152 Ų15272%0.71577%0.771SS**  trans-105.9102.5169.1178.50000107.4Q31 K35Q31-V33 PolarHBondContact O-N 2.87Å; Q31-V33 VanDerWaalsContact O-N 3.09Å; V33-K35 PolarHBondContact O-N 2.86Å; V33-K35 VanDerWaalsContact O-N 3.12Å
34R34.3Very low39.6Very low235 Ų235151.8 Ų151.889%0.88778%0.779SS**  trans-495.7160.8-62.8-180173.6106.9-0.4114.2
35K43.9Very low39.5Very low206 Ų206150.7 Ų150.790%0.89678%0.784SS**  trans-90.9101.2158.2-159.2172-174.41780107.2V33 R37V33-K35 PolarHBondContact O-N 2.86Å; V33-K35 VanDerWaalsContact O-N 3.12Å; K35-R37 PolarHBondContact O-N 2.81Å
36E33.2Very low39.7Very low176 Ų176150.4 Ų150.482%0.82279%0.788SS**PPolyproline II helixtrans-54.5132.5176.2-67.9-164.9148.100110.8P38E36-P38 WeakPolarHBondContact O-CD 3.44Å
37R36.3Very low39.5Very low237 Ų237155.1 Ų155.189%0.89480%0.801SS**PPolyproline II helixtrans-71.5124.5169.1-98.3-172.1-179-177.11109K35 K39K35-R37 PolarHBondContact O-N 2.81Å; R37-K39 PolarHBondContact O-N 2.82Å
38P40Very low39.5Very low122 Ų122156.9 Ų156.979%0.79281%0.81SS**PPolyproline II helixtrans-62.8134.7162.8-15.629.4000109.8E36E36-P38 WeakPolarHBondContact O-CD 3.44Å
39K38.3Very low39.9Very low200 Ų200158.8 Ų158.887%0.8782%0.821SS**PPolyproline II helixtrans-61.8134.9174.1-74.6173.9177.71720110.1R37 A41R37-K39 PolarHBondContact O-N 2.82Å; K39-A41 PolarHBondContact O-N 3.16Å
40P39.9Very low40.2Very low129 Ų129156.9 Ų156.984%0.83882%0.822SS**  trans-71.4116172.428.1-31.2000109.5
41A42.5Very low40.4Very low101 Ų101155.3 Ų155.384%0.83582%0.822SS**  trans-74.2122165.500000108.6K39K39-A41 PolarHBondContact O-N 3.16Å
42G34.2Very low40.8Very low71 Ų71154.6 Ų154.673%0.73282%0.821SS**  trans51.498146.500000117.7A44G42-A44 PolarHBondContact O-N 3.12Å
43L33Very low41.2Very low178 Ų178154.5 Ų154.593%0.93282%0.822SS**  trans-49.1103.4155.3-71.6156.9000110.5
44A40.6Very low41.6Very low87 Ų87154.4 Ų154.472%0.71982%0.822SS**  trans-87.2108.2157.100000106.8G42 V46G42-A44 PolarHBondContact O-N 3.12Å; A44-V46 PolarHBondContact O-N 3.3Å
45M38.7Very low41.9Very low180 Ų180147.8 Ų147.889%0.88782%0.817SS**  trans-59.799.2166.8-60.8-81.2-71.700107
46V47.7Very low41.8Very low130 Ų130145.4 Ų145.479%0.78881%0.813SS**PPolyproline II helixtrans-97.5116.5165.7177.10000105.4A44A44-V46 PolarHBondContact O-N 3.3Å
47E44Very low42.3Very low179 Ų179142.2 Ų142.284%0.83681%0.808SS**PPolyproline II helixtrans-48.6135.6-177.6-66.1169.5148.600111.7P49E47-P49 WeakPolarHBondContact O-CD 3.12Å
48D43Very low42.6Very low157 Ų157139.7 Ų139.784%0.8481%0.806SS**PPolyproline II helixtrans-57.8121.9172.2-72-47.7000109.3E50D48-E50 PolarHBondContact O-N 3.37Å
49P52.3Low43.2Very low120 Ų120139.8 Ų139.878%0.77981%0.807SS**PPolyproline II helixtrans-66.9130.6173.225.2-30.7000109.9E47 V51E47-P49 WeakPolarHBondContact O-CD 3.12Å; P49-V51 PolarHBondContact O-N 3.38Å
50E47.7Very low43.7Very low181 Ų181139.2 Ų139.285%0.84681%0.807SS**  trans-44.2129.5178.6-67.6179.6149.600112.3D48 M52D48-E50 PolarHBondContact O-N 3.37Å; E50-M52 PolarHBondContact O-N 2.8Å
51V46Very low43.7Very low121 Ų121138.8 Ų138.873%0.73381%0.807SS**  trans-59.3104.6173.3-174.40000107.9P49 D53P49-V51 PolarHBondContact O-N 3.38Å; V51-D53 PolarHBondContact O-N 3.27Å; V51-D53 VanDerWaalsContact O-N 3.15Å
52M44.7Very low43.6Very low163 Ų163141.7 Ų141.780%0.80381%0.805SS**  trans-71.3104.5164-71.9-104.586.400107.2E50 V54E50-M52 PolarHBondContact O-N 2.8Å; M52-V54 PolarHBondContact O-N 3Å
53D43.6Very low43.8Very low154 Ų154142.8 Ų142.882%0.82481%0.808SS**  trans-61.481.8168-73.5-38.9000109.7V51 A55V51-D53 PolarHBondContact O-N 3.27Å; V51-D53 VanDerWaalsContact O-N 3.15Å; D53-A55 PolarHBondContact O-N 3.44Å; D53-A55 VanDerWaalsContact O-N 3.14Å
54V48.9Very low44.1Very low116 Ų116139.2 Ų139.270%0.70380%0.796SS**  trans-79.295.4165.3-179.60000106.3M52 L56M52-V54 PolarHBondContact O-N 3Å; V54-L56 VanDerWaalsContact C-N 3.34Å; V54-L56 PolarHBondContact O-N 3.23Å
55A40.7Very low44.3Very low95 Ų95143.9 Ų143.979%0.78580%0.803SS**  trans-53.396.9168.100000109.4D53D53-A55 PolarHBondContact O-N 3.44Å; D53-A55 VanDerWaalsContact O-N 3.14Å
56L41.5Very low44.5Very low156 Ų156144.3 Ų144.382%0.81780%0.803SS**PPolyproline II helixtrans-78122.7169.6-109.3142.6000107.4V54V54-L56 VanDerWaalsContact C-N 3.34Å; V54-L56 PolarHBondContact O-N 3.23Å
57P43.9Very low44.2Very low110 Ų110143.3 Ų143.371%0.71480%0.802SS**PPolyproline II helixtrans-66.1140.6-171.624.5-32.2000111.5P59P57-P59 WeakPolarHBondContact O-CD 3.41Å
58E44.2Very low44.2Very low183 Ų183141.5 Ų141.586%0.85580%0.798SS**PPolyproline II helixtrans-56.2120.8173.2-63.8-174.715400109.7E60E58-E60 PolarHBondContact O-N 2.96Å; E58-E60 VanDerWaalsContact O-N 3.16Å
59P52.4Low44.1Very low125 Ų125137 Ų13781%0.81279%0.789SS**  trans-70.7113.2167.526.9-29.4000108.3P57 S61P57-P59 WeakPolarHBondContact O-CD 3.41Å; P59-S61 PolarHBondContact O-N 3.24Å
60E47.3Very low43.7Very low187 Ų187138.8 Ų138.887%0.87479%0.791SS**  trans-44130.3169.1-61.4176.9165.500110.4E58 M62E58-E60 PolarHBondContact O-N 2.96Å; E58-E60 VanDerWaalsContact O-N 3.16Å; E60-M62 PolarHBondContact O-N 3.5Å
61S40.2Very low43.4Very low120 Ų120139 Ų13984%0.83979%0.792SS**  trans-59.892.9177.154.60000110.9P59 A63P59-S61 PolarHBondContact O-N 3.24Å; S61-A63 PolarHBondContact O-N 3.44Å; S61-A63 VanDerWaalsContact O-N 3.13Å
62M42Very low43.4Very low162 Ų162141.2 Ų141.280%0.79879%0.794SS**  trans-72.8100.3157-95.4-165.575.800107.7E60 C64E60-M62 PolarHBondContact O-N 3.5Å; M62-C64 VanDerWaalsContact C-N 3.28Å; M62-C64 PolarHBondContact O-N 2.87Å
63A38.2Very low43.6Very low95 Ų95138.7 Ų138.779%0.78579%0.79SS**  trans-58.195.4157.100000108S61S61-A63 PolarHBondContact O-N 3.44Å; S61-A63 VanDerWaalsContact O-N 3.13Å
64C37.8Very low43.9Very low102 Ų102135.9 Ų135.969%0.68978%0.78SS**  trans-89.2119.4162.1-72.40000107M62M62-C64 VanDerWaalsContact C-N 3.28Å; M62-C64 PolarHBondContact O-N 2.87Å
65E45.4Very low44Very low185 Ų185134.6 Ų134.686%0.86477%0.769SS**  trans-54.6140.3-174.3-61.5179.1140.300112.5S67E65-S67 VanDerWaalsContact C-N 3.31Å; E65-S67 PolarHBondContact O-N 3.44Å
66E42.7Very low45Very low190 Ų190135 Ų13589%0.88876%0.762SS**  trans-59.385167.7-173.4174.8-162.100109.6D68E66-D68 PolarHBondContact O-N 3.18Å
67S41Very low45.7Very low109 Ų109131.2 Ų131.276%0.76275%0.745SS**  trans-909516057.90000108E65 G69E65-S67 VanDerWaalsContact C-N 3.31Å; E65-S67 PolarHBondContact O-N 3.44Å; S67-G69 PolarHBondContact O-N 2.91Å
68D45.2Very low46.4Very low140 Ų140131.5 Ų131.575%0.74974%0.737SS**  trans-64.669.5168.3-15712.7000109.3E66E66-D68 PolarHBondContact O-N 3.18Å
69G39.5Very low48Very low62 Ų62125.5 Ų125.564%0.63971%0.713SS**  trans-105.177.9170.500000107.7S67 E71S67-G69 PolarHBondContact O-N 2.91Å; G69-E71 PolarHBondContact O-N 2.85Å
70L44.6Very low49Very low159 Ų159123.9 Ų123.983%0.83270%0.697SS**  trans-63.978.5164.9-71.3166.9000108.3E72L70-E72 VanDerWaalsContact C-N 3.35Å; L70-E72 PolarHBondContact O-N 3.41Å; L70-E72 VanDerWaalsContact O-N 3.08Å
71E41.6Very low50.5Low185 Ų185120.4 Ų120.486%0.86468%0.684SS**  trans-69.2100.6162-165.6171.7-167.800106G69G69-E71 PolarHBondContact O-N 2.85Å
72E47Very low52.4Low168 Ų168120.5 Ų120.579%0.78567%0.671SS**PPolyproline II helixtrans-48.7131.8172.8-158.5171.1-165.100108.4L70L70-E72 VanDerWaalsContact C-N 3.35Å; L70-E72 PolarHBondContact O-N 3.41Å; L70-E72 VanDerWaalsContact O-N 3.08Å
73P48.8Very low54.1Low109 Ų109117.5 Ų117.571%0.70866%0.658SS**PPolyproline II helixtrans-57.5128.3-176.623.8-33.1000108.5D75P73-D75 PolarHBondContact O-N 2.83Å
74P49.3Very low56.2Low95 Ų95117.3 Ų117.362%0.61765%0.646SS**PPolyproline II helixtrans-55133.5-177.822.4-32.7000108.7V76P74-V76 PolarHBondContact O-N 2.98Å
75D50.6Low58.2Low90 Ų90117.3 Ų117.348%0.48164%0.636SS.*  trans-51.6114.7178.4-172-15.5000108.5P73 T77 E78 T79P73-D75 PolarHBondContact O-N 2.83Å; D75-T77 PolarHBondContact O-N 3.4Å; D75-T77 WeakPolarHBondContact OD1-CB 3.47Å; D75-T77 PolarHBondContact OD1-N 3.49Å; D75-T77 PolarHBondContact OD1-OG1 3.39Å; D75-T77 PolarHBondContact OD2-OG1 2.93Å; D75-T77 VanDerWaalsContact OD2-OG1 3.08Å; D75-E78 HydrophobicContact CB-CG 4.3Å; D75-E78 PolarHBondContact O-N 2.76Å; D75-T79 PolarHBondContact O-N 3.03Å
76V60.8Low59.8Low103 Ų103110.6 Ų110.662%0.62461%0.612SS**Hα-helixtrans-60.1-20.7-176.4-177.30000110.2P74 T79 I80P74-V76 PolarHBondContact O-N 2.98Å; V76-T79 PolarHBondContact O-N 3.29Å; V76-I80 HydrophobicContact CG1-CD1 4.41Å; V76-I80 VanDerWaalsContact O-CG1 3.32Å; V76-I80 WeakPolarHBondContact O-CG1 3.49Å; V76-I80 PolarHBondContact O-N 2.83Å
77T57.9Low61.6Low77 Ų77105.7 Ų105.747%0.47260%0.595SS.*Hα-helixtrans-68.4-41.2173.764.20000112.7D75 T79 I80 D81D75-T77 PolarHBondContact O-N 3.4Å; D75-T77 WeakPolarHBondContact OD1-CB 3.47Å; D75-T77 PolarHBondContact OD1-N 3.49Å; D75-T77 PolarHBondContact OD1-OG1 3.39Å; D75-T77 PolarHBondContact OD2-OG1 2.93Å; D75-T77 VanDerWaalsContact OD2-OG1 3.08Å; T77-T79 PolarHBondContact O-N 3.26Å; T77-I80 PolarHBondContact O-N 3.16Å; T77-I80 VanDerWaalsContact O-N 3.14Å; T77-D81 PolarHBondContact O-N 2.86Å
78E58.5Low63.3Low115 Ų115102.4 Ų102.454%0.53758%0.575SS.*Hα-helixtrans-63-33.9173.8-67.6-171169.300111.4D75 Q82D75-E78 HydrophobicContact CB-CG 4.3Å; D75-E78 PolarHBondContact O-N 2.76Å; E78-Q82 WeakPolarHBondContact O-CB 3.37Å; E78-Q82 WeakPolarHBondContact O-CG 3.4Å; E78-Q82 PolarHBondContact O-N 3.11Å
79T76.7Confident64.7Low58 Ų58102 Ų10236%0.35656%0.563SS.*Hα-helixtrans-68.3-39.4176.2-46.10000111.2D75 V76 T77 I83D75-T79 PolarHBondContact O-N 3.03Å; V76-T79 PolarHBondContact O-N 3.29Å; T77-T79 PolarHBondContact O-N 3.26Å; T79-I83 HydrophobicContact CG2-CD1 3.96Å; T79-I83 WeakPolarHBondContact O-CB 3.45Å; T79-I83 WeakPolarHBondContact O-CD1 3.43Å; T79-I83 WeakPolarHBondContact O-CG1 3.24Å; T79-I83 PolarHBondContact O-N 3.14Å
80I73.6Confident66.4Low91 Ų91104.6 Ų104.647%0.46756%0.562SS.*Hα-helixtrans-65.8-45.9176.6-68.5163.8000110.4V76 T77 Q82 I83 V84V76-I80 HydrophobicContact CG1-CD1 4.41Å; V76-I80 VanDerWaalsContact O-CG1 3.32Å; V76-I80 WeakPolarHBondContact O-CG1 3.49Å; V76-I80 PolarHBondContact O-N 2.83Å; T77-I80 PolarHBondContact O-N 3.16Å; T77-I80 VanDerWaalsContact O-N 3.14Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.23Å; I80-I83 PolarHBondContact O-N 3.36Å; I80-V84 HydrophobicContact CG2-CG2 4.21Å; I80-V84 WeakPolarHBondContact O-CB 3.31Å; I80-V84 VanDerWaalsContact O-CG2 3.29Å; I80-V84 WeakPolarHBondContact O-CG2 3.34Å; I80-V84 PolarHBondContact O-N 3.28Å
81D78.4Confident67.9Low113 Ų113105.7 Ų105.760%0.60456%0.556SS**Hα-helixtrans-63.7-40.5179.5-74.9-19.9000111.2T77 V84 E85T77-D81 PolarHBondContact O-N 2.86Å; D81-V84 PolarHBondContact O-N 2.84Å; D81-E85 VanDerWaalsContact O-CB 3.24Å; D81-E85 WeakPolarHBondContact O-CB 3.43Å; D81-E85 PolarHBondContact O-N 3.02Å
82Q79.8Confident69.3Low123 Ų123103.2 Ų103.258%0.57554%0.543SS*.Hα-helixtrans-63.6-41172.7-73.3174.243.500112.5E78 I80 E85 A86E78-Q82 WeakPolarHBondContact O-CB 3.37Å; E78-Q82 WeakPolarHBondContact O-CG 3.4Å; E78-Q82 PolarHBondContact O-N 3.11Å; I80-Q82 VanDerWaalsContact C-N 3.33Å; I80-Q82 PolarHBondContact O-N 3.23Å; Q82-E85 PolarHBondContact O-N 3.42Å; Q82-A86 WeakPolarHBondContact O-CB 3.43Å; Q82-A86 PolarHBondContact O-N 3.05Å
83I79.1Confident70.4Confident99 Ų9999.4 Ų99.451%0.50853%0.528SS..Hα-helixtrans-66.9-43176.6-70.2164000110.8T79 I80 A86 T87T79-I83 HydrophobicContact CG2-CD1 3.96Å; T79-I83 WeakPolarHBondContact O-CB 3.45Å; T79-I83 WeakPolarHBondContact O-CD1 3.43Å; T79-I83 WeakPolarHBondContact O-CG1 3.24Å; T79-I83 PolarHBondContact O-N 3.14Å; I80-I83 PolarHBondContact O-N 3.36Å; I83-A86 PolarHBondContact O-N 2.93Å; I83-T87 VanDerWaalsContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CB 3.3Å; I83-T87 PolarHBondContact O-N 3.2Å; I83-T87 PolarHBondContact O-OG1 3.29Å
84V80.9Confident71.1Confident91 Ų9196 Ų9655%0.55251%0.509SS*.Hα-helixtrans-64.2-43.9177.4170.90000110I80 D81 T87 A88I80-V84 HydrophobicContact CG2-CG2 4.21Å; I80-V84 WeakPolarHBondContact O-CB 3.31Å; I80-V84 VanDerWaalsContact O-CG2 3.29Å; I80-V84 WeakPolarHBondContact O-CG2 3.34Å; I80-V84 PolarHBondContact O-N 3.28Å; D81-V84 PolarHBondContact O-N 2.84Å; V84-T87 PolarHBondContact O-N 3.16Å; V84-A88 VanDerWaalsContact O-CB 3.25Å; V84-A88 WeakPolarHBondContact O-CB 3.44Å; V84-A88 PolarHBondContact O-N 3Å
85E81.3Confident71.6Confident102 Ų10294.3 Ų94.348%0.47750%0.5SS..Hα-helixtrans-69.8-38.4178.8-154.8-172.5-164.600112.1D81 Q82 A88 R89D81-E85 VanDerWaalsContact O-CB 3.24Å; D81-E85 WeakPolarHBondContact O-CB 3.43Å; D81-E85 PolarHBondContact O-N 3.02Å; Q82-E85 PolarHBondContact O-N 3.42Å; E85-A88 PolarHBondContact O-N 3.09Å; E85-R89 VanDerWaalsContact CD-CZ 3.44Å; E85-R89 WeakPolarHBondContact O-CB 3.35Å; E85-R89 WeakPolarHBondContact O-CG 3.5Å; E85-R89 PolarHBondContact O-N 3.15Å; E85-R89 IonicContact OE1-CZ 3.86Å; E85-R89 IonicContact OE1-NH1 3.61Å; E85-R89 IonicContact OE1-NH2 3.36Å; E85-R89 PolarHBondContact OE1-NH2 3.45Å; E85-R89 IonicContact OE2-CZ 2.66Å; E85-R89 IonicContact OE2-NH1 3.35Å; E85-R89 PolarHBondContact OE2-NH1 3.49Å; E85-R89 IonicContact OE2-NH2 3.8Å; E85-R89 PolarHBondContact OE2-NH2 3.25Å
86A77.7Confident72.1Confident44 Ų4497.1 Ų97.136%0.36451%0.507SS..Hα-helixtrans-63.7-44.8172.400000111.4Q82 I83 A88 R89 D90Q82-A86 WeakPolarHBondContact O-CB 3.43Å; Q82-A86 PolarHBondContact O-N 3.05Å; I83-A86 PolarHBondContact O-N 2.93Å; A86-A88 VanDerWaalsContact C-N 3.32Å; A86-A88 PolarHBondContact O-N 3.31Å; A86-R89 PolarHBondContact O-N 3.08Å; A86-D90 WeakPolarHBondContact O-CB 3.25Å; A86-D90 PolarHBondContact O-N 3.1Å
87T80.6Confident71.8Confident86 Ų86100.2 Ų100.253%0.52852%0.515SS..Hα-helixtrans-65.1-37.7176.4-54.60000111.3I83 V84 Y91I83-T87 VanDerWaalsContact O-CB 3.25Å; I83-T87 WeakPolarHBondContact O-CB 3.3Å; I83-T87 PolarHBondContact O-N 3.2Å; I83-T87 PolarHBondContact O-OG1 3.29Å; V84-T87 PolarHBondContact O-N 3.16Å; T87-Y91 WeakPolarHBondContact O-CB 3.42Å; T87-Y91 PolarHBondContact O-N 2.8Å
88A76.8Confident71.6Confident40 Ų40103.6 Ų103.633%0.33152%0.523SS..Hα-helixtrans-66.4-44.2174.300000111.1V84 E85 A86 Y91 F92V84-A88 VanDerWaalsContact O-CB 3.25Å; V84-A88 WeakPolarHBondContact O-CB 3.44Å; V84-A88 PolarHBondContact O-N 3Å; E85-A88 PolarHBondContact O-N 3.09Å; A86-A88 VanDerWaalsContact C-N 3.32Å; A86-A88 PolarHBondContact O-N 3.31Å; A88-Y91 PolarHBondContact O-N 3.06Å; A88-F92 WeakPolarHBondContact O-CB 3.47Å; A88-F92 WeakPolarHBondContact O-CD2 3.24Å; A88-F92 PolarHBondContact O-N 2.94Å
89R74.6Confident71.3Confident133 Ų133100.8 Ų100.850%0.50252%0.517SS..Hα-helixtrans-59.2-48.3173.9-79.2-177.1-172.5102.86111.3E85 A86 Y91 F92 D93E85-R89 VanDerWaalsContact CD-CZ 3.44Å; E85-R89 WeakPolarHBondContact O-CB 3.35Å; E85-R89 WeakPolarHBondContact O-CG 3.5Å; E85-R89 PolarHBondContact O-N 3.15Å; E85-R89 IonicContact OE1-CZ 3.86Å; E85-R89 IonicContact OE1-NH1 3.61Å; E85-R89 IonicContact OE1-NH2 3.36Å; E85-R89 PolarHBondContact OE1-NH2 3.45Å; E85-R89 IonicContact OE2-CZ 2.66Å; E85-R89 IonicContact OE2-NH1 3.35Å; E85-R89 PolarHBondContact OE2-NH1 3.49Å; E85-R89 IonicContact OE2-NH2 3.8Å; E85-R89 PolarHBondContact OE2-NH2 3.25Å; A86-R89 PolarHBondContact O-N 3.08Å; R89-Y91 VanDerWaalsContact C-N 3.29Å; R89-Y91 PolarHBondContact O-N 3.07Å; R89-F92 CarbonylContact O-C 3.55Å; R89-F92 PolarHBondContact O-N 3.42Å; R89-F92 VanDerWaalsContact O-N 3.1Å; R89-D93 PolarHBondContact O-N 3.14Å
90D76.7Confident70.4Confident115 Ų115102.6 Ų102.662%0.61553%0.529SS*.Hα-helixtrans-60.6-38.9176.6-78.5-6.4000111.8A86 A94A86-D90 WeakPolarHBondContact O-CB 3.25Å; A86-D90 PolarHBondContact O-N 3.1Å; D90-A94 WeakPolarHBondContact O-CB 3.38Å; D90-A94 PolarHBondContact O-N 3.4Å
91Y74.8Confident70.1Confident182 Ų182103.8 Ų103.871%0.71454%0.537SS*.Hα-helixtrans-65.4-41.9173.8-174.3-95.8000112.2T87 A88 R89 S95T87-Y91 WeakPolarHBondContact O-CB 3.42Å; T87-Y91 PolarHBondContact O-N 2.8Å; A88-Y91 PolarHBondContact O-N 3.06Å; R89-Y91 VanDerWaalsContact C-N 3.29Å; R89-Y91 PolarHBondContact O-N 3.07Å; Y91-S95 WeakPolarHBondContact O-CB 3.4Å; Y91-S95 PolarHBondContact O-N 2.88Å; Y91-S95 VanDerWaalsContact O-N 3.09Å
92F70.8Confident69.7Low134 Ų134102.4 Ų102.459%0.58854%0.536SS*.Hα-helixtrans-68.9-38.9176.7-86.5-71.3000112.3A88 R89 S95 K96A88-F92 WeakPolarHBondContact O-CB 3.47Å; A88-F92 WeakPolarHBondContact O-CD2 3.24Å; A88-F92 PolarHBondContact O-N 2.94Å; R89-F92 CarbonylContact O-C 3.55Å; R89-F92 PolarHBondContact O-N 3.42Å; R89-F92 VanDerWaalsContact O-N 3.1Å; F92-S95 WeakPolarHBondContact O-CB 3.4Å; F92-S95 PolarHBondContact O-N 3.41Å; F92-S95 PolarHBondContact O-OG 3.18Å; F92-K96 PolarHBondContact O-N 2.99Å
93D69.6Low69.2Low87 Ų8799.2 Ų99.247%0.46552%0.522SS..Hα-helixtrans-74.1-39.1177.4-84.8-14.5000111.9R89 S95 K96 E97R89-D93 PolarHBondContact O-N 3.14Å; D93-S95 PolarHBondContact O-N 3.02Å; D93-S95 VanDerWaalsContact O-N 3.13Å; D93-K96 WeakPolarHBondContact O-CA 3.34Å; D93-K96 PolarHBondContact O-N 3.41Å; D93-K96 IonicContact OD1-NZ 2.86Å; D93-E97 PolarHBondContact O-N 3.06Å
94A64.4Low69.4Low38 Ų38103.6 Ų103.631%0.31453%0.532SS..Hα-helixtrans-62-2116900000112.8D90 K98D90-A94 WeakPolarHBondContact O-CB 3.38Å; D90-A94 PolarHBondContact O-N 3.4Å; A94-K98 VanDerWaalsContact O-CD 3.32Å; A94-K98 WeakPolarHBondContact O-CD 3.4Å; A94-K98 WeakPolarHBondContact O-CE 3Å; A94-K98 PolarHBondContact O-NZ 3.21Å
95S60.1Low69.5Low60 Ų60109.9 Ų109.942%0.4255%0.546SS..Hα-helixtrans-81.5-30.7170.886.60000112.8Y91 F92 D93 K98Y91-S95 WeakPolarHBondContact O-CB 3.4Å; Y91-S95 PolarHBondContact O-N 2.88Å; Y91-S95 VanDerWaalsContact O-N 3.09Å; F92-S95 WeakPolarHBondContact O-CB 3.4Å; F92-S95 PolarHBondContact O-N 3.41Å; F92-S95 PolarHBondContact O-OG 3.18Å; D93-S95 PolarHBondContact O-N 3.02Å; D93-S95 VanDerWaalsContact O-N 3.13Å; S95-K98 CarbonylContact O-C 3.49Å
96K60.8Low69.7Low148 Ų148108.8 Ų108.864%0.64355%0.55SS*.Hα-helixtrans-76-33.2174.3-73.6-177.5-174.31640113.3F92 D93 K98 S99F92-K96 PolarHBondContact O-N 2.99Å; D93-K96 WeakPolarHBondContact O-CA 3.34Å; D93-K96 PolarHBondContact O-N 3.41Å; D93-K96 IonicContact OD1-NZ 2.86Å; K96-K98 PolarHBondContact O-N 3.44Å; K96-S99 WeakPolarHBondContact O-CA 3.14Å; K96-S99 WeakPolarHBondContact O-CB 3.42Å; K96-S99 PolarHBondContact O-N 3.23Å
97E53.9Low69.9Low168 Ų168111.2 Ų111.279%0.78555%0.554SS**Hα-helixtrans-64.6-27.9173.4-72.2-164.3161.900112D93 S99D93-E97 PolarHBondContact O-N 3.06Å; E97-S99 PolarHBondContact O-N 2.92Å
98K53.4Low70Confident148 Ų148111.8 Ų111.864%0.64355%0.546SS*.THydrogen-bonded Turntrans-84.246.5166-62.9152.7-163.4156.30110.1A94 S95 K96A94-K98 VanDerWaalsContact O-CD 3.32Å; A94-K98 WeakPolarHBondContact O-CD 3.4Å; A94-K98 WeakPolarHBondContact O-CE 3Å; A94-K98 PolarHBondContact O-NZ 3.21Å; S95-K98 CarbonylContact O-C 3.49Å; K96-K98 PolarHBondContact O-N 3.44Å
99S53.4Low70.2Confident57 Ų57112 Ų11240%0.39955%0.548SS..  trans-47.6130172.3156.50000108.9K96 E97 N101 S102K96-S99 WeakPolarHBondContact O-CA 3.14Å; K96-S99 WeakPolarHBondContact O-CB 3.42Å; K96-S99 PolarHBondContact O-N 3.23Å; E97-S99 PolarHBondContact O-N 2.92Å; S99-N101 PolarHBondContact O-N 3.12Å; S99-S102 WeakPolarHBondContact O-CB 3.24Å; S99-S102 PolarHBondContact O-N 2.89Å; S99-S102 PolarHBondContact O-OG 3.29Å
100P58Low70.8Confident95 Ų95109.3 Ų109.362%0.61755%0.549SS*.THydrogen-bonded Turntrans-58.5-9.9-173.518.5-30.1000114R108P100-R108 WeakPolarHBondContact O-CD 3.38Å
101N66.2Low71.3Confident117 Ų117105.9 Ų105.963%0.62654%0.537SS*.THydrogen-bonded Turntrans-80.1-22.2174.3-157.428.1000114.3S99 L103 R108S99-N101 PolarHBondContact O-N 3.12Å; N101-L103 PolarHBondContact O-N 2.81Å; N101-R108 PolarHBondContact O-NH2 3.36Å; N101-R108 PolarHBondContact OD1-NH1 2.86Å
102S70.3Confident71.8Confident84 Ų84105.6 Ų105.659%0.58754%0.535SS*.SBendtrans-71.3-19.2176.267.60000113.1S99S99-S102 WeakPolarHBondContact O-CB 3.24Å; S99-S102 PolarHBondContact O-N 2.89Å; S99-S102 PolarHBondContact O-OG 3.29Å
103L70.5Confident72.3Confident55 Ų55106.7 Ų106.729%0.28854%0.535SS..SBendtrans-73.7134.8-178-67.2174.1000111.3N101 Q107 R108N101-L103 PolarHBondContact O-N 2.81Å; L103-Q107 HydrophobicContact CB-CB 4.09Å; L103-Q107 HydrophobicContact CD2-CB 4.18Å; L103-R108 HydrophobicContact CB-CG 3.91Å; L103-R108 VanDerWaalsContact O-CZ 3.24Å; L103-R108 PolarHBondContact O-NE 3.17Å; L103-R108 PolarHBondContact O-NH2 3.46Å
104R81.8Confident73Confident191 Ų191104.7 Ų104.772%0.72153%0.53SS*.  trans-56.1149.5171-73.2-177.9151121.7-3.6109.8S106 Q107 R108R104-S106 PolarHBondContact O-N 3.22Å; R104-Q107 WeakPolarHBondContact O-CB 3.48Å; R104-Q107 PolarHBondContact O-N 3.13Å; R104-R108 PolarHBondContact O-N 2.87Å
105R84Confident73.9Confident223 Ų223109.2 Ų109.284%0.84255%0.545SS*.Hα-helixtrans-49.2-37.6-178.7-179.6179.9-84.5-105.12.7112.7A109R105-A109 PolarHBondContact O-N 3.2Å; R105-A109 VanDerWaalsContact O-N 3.1Å
106S85.9Confident74.7Confident80 Ų80112.6 Ų112.656%0.55955%0.554SS**Hα-helixtrans-66.7-43176.254.10000113.4R104 A109 S110R104-S106 PolarHBondContact O-N 3.22Å; S106-A109 PolarHBondContact O-N 2.94Å; S106-S110 PolarHBondContact O-N 3.34Å; S106-S110 PolarHBondContact O-OG 3.11Å
107Q82.1Confident75.6Confident95 Ų95113.2 Ų113.244%0.44455%0.552SS.*Hα-helixtrans-65.4-39.4176.6-69.9169.3-34.800111.3L103 R104 A109 S110 A111L103-Q107 HydrophobicContact CB-CB 4.09Å; L103-Q107 HydrophobicContact CD2-CB 4.18Å; R104-Q107 WeakPolarHBondContact O-CB 3.48Å; R104-Q107 PolarHBondContact O-N 3.13Å; Q107-A109 PolarHBondContact O-N 3.48Å; Q107-S110 PolarHBondContact O-N 2.95Å; Q107-A111 WeakPolarHBondContact O-CB 3.34Å; Q107-A111 PolarHBondContact O-N 3.07Å
108R82.3Confident76.7Confident98 Ų98110.7 Ų110.737%0.3754%0.542SS..Hα-helixtrans-60.2-43.6172.4-85.8-176.3-90.8-150.9-10.8112.5P100 N101 L103 R104 A111 R112P100-R108 WeakPolarHBondContact O-CD 3.38Å; N101-R108 PolarHBondContact O-NH2 3.36Å; N101-R108 PolarHBondContact OD1-NH1 2.86Å; L103-R108 HydrophobicContact CB-CG 3.91Å; L103-R108 VanDerWaalsContact O-CZ 3.24Å; L103-R108 PolarHBondContact O-NE 3.17Å; L103-R108 PolarHBondContact O-NH2 3.46Å; R104-R108 PolarHBondContact O-N 2.87Å; R108-A111 PolarHBondContact O-N 3.24Å; R108-R112 PolarHBondContact O-N 3.44Å
109A81.4Confident77.7Confident44 Ų44113.4 Ų113.436%0.36455%0.548SS..Hα-helixtrans-64.5-43.5177.600000111.6R105 S106 Q107 R112 R113R105-A109 PolarHBondContact O-N 3.2Å; R105-A109 VanDerWaalsContact O-N 3.1Å; S106-A109 PolarHBondContact O-N 2.94Å; Q107-A109 PolarHBondContact O-N 3.48Å; A109-R112 PolarHBondContact O-N 3.35Å; A109-R113 WeakPolarHBondContact O-CB 3.31Å; A109-R113 WeakPolarHBondContact O-CG 3.38Å; A109-R113 PolarHBondContact O-N 2.91Å
110S87.3Confident78.1Confident76 Ų76112.1 Ų112.153%0.53154%0.544SS..Hα-helixtrans-63.6-41.9175.2-66.80000112.4S106 Q107 R113 A114S106-S110 PolarHBondContact O-N 3.34Å; S106-S110 PolarHBondContact O-OG 3.11Å; Q107-S110 PolarHBondContact O-N 2.95Å; S110-R113 PolarHBondContact O-N 3.01Å; S110-A114 WeakPolarHBondContact O-CB 3.47Å; S110-A114 PolarHBondContact O-N 3.38Å
111A86.7Confident78.2Confident43 Ų43114 Ų11436%0.35554%0.544SS..Hα-helixtrans-64-43.4176.700000112Q107 R108 A114 Q115Q107-A111 WeakPolarHBondContact O-CB 3.34Å; Q107-A111 PolarHBondContact O-N 3.07Å; R108-A111 PolarHBondContact O-N 3.24Å; A111-A114 PolarHBondContact O-N 3.45Å; A111-Q115 WeakPolarHBondContact O-CG 3.4Å; A111-Q115 PolarHBondContact O-N 2.97Å
112R84Confident77.7Confident176 Ų176114.2 Ų114.266%0.66454%0.54SS*.Hα-helixtrans-61.9-45.2173.7-82.7-167.8175.9-175.9-1.3112.2R108 A109 A114 Q115 E116R108-R112 PolarHBondContact O-N 3.44Å; A109-R112 PolarHBondContact O-N 3.35Å; R112-A114 VanDerWaalsContact C-N 3.29Å; R112-A114 PolarHBondContact O-N 3.37Å; R112-Q115 PolarHBondContact O-N 3.33Å; R112-E116 WeakPolarHBondContact O-CB 3.48Å; R112-E116 WeakPolarHBondContact O-CG 3.46Å; R112-E116 PolarHBondContact O-N 2.87Å
113R83.1Confident77.4Confident157 Ų157116.3 Ų116.359%0.59254%0.539SS*.Hα-helixtrans-63-35.8175.8-73.9177.4177.8176.7-1.5112.3A109 S110 R117A109-R113 WeakPolarHBondContact O-CB 3.31Å; A109-R113 WeakPolarHBondContact O-CG 3.38Å; A109-R113 PolarHBondContact O-N 2.91Å; S110-R113 PolarHBondContact O-N 3.01Å; R113-R117 WeakPolarHBondContact O-CG 3.49Å; R113-R117 PolarHBondContact O-N 3.18Å
114A83.6Confident76.8Confident45 Ų45119 Ų11937%0.37255%0.553SS.*Hα-helixtrans-68-43.3174.900000111.6S110 A111 R112 E116 R117 M118S110-A114 WeakPolarHBondContact O-CB 3.47Å; S110-A114 PolarHBondContact O-N 3.38Å; A111-A114 PolarHBondContact O-N 3.45Å; R112-A114 VanDerWaalsContact C-N 3.29Å; R112-A114 PolarHBondContact O-N 3.37Å; A114-E116 VanDerWaalsContact C-N 3.35Å; A114-E116 PolarHBondContact O-N 3.04Å; A114-R117 PolarHBondContact O-N 3.37Å; A114-M118 WeakPolarHBondContact O-CG 3.48Å; A114-M118 PolarHBondContact O-N 3.38Å
115Q82.3Confident75.8Confident133 Ų133114.2 Ų114.262%0.62154%0.54SS*.Hα-helixtrans-62.2-39.4173.2-76-180-28.600112.4A111 R112 R119A111-Q115 WeakPolarHBondContact O-CG 3.4Å; A111-Q115 PolarHBondContact O-N 2.97Å; R112-Q115 PolarHBondContact O-N 3.33Å; Q115-R119 WeakPolarHBondContact O-CB 3.25Å; Q115-R119 PolarHBondContact O-N 2.87Å
116E77.7Confident74.4Confident132 Ų132109.6 Ų109.662%0.61753%0.532SS*.Hα-helixtrans-65.4-40.5175.1-78169.5-177.200112.1R112 A114 R119 G120R112-E116 WeakPolarHBondContact O-CB 3.48Å; R112-E116 WeakPolarHBondContact O-CG 3.46Å; R112-E116 PolarHBondContact O-N 2.87Å; A114-E116 VanDerWaalsContact C-N 3.35Å; A114-E116 PolarHBondContact O-N 3.04Å; E116-R119 PolarHBondContact O-N 2.92Å; E116-G120 PolarHBondContact O-N 3.18Å
117R79.1Confident73.1Confident160 Ų160111.1 Ų111.160%0.60453%0.53SS*.Hα-helixtrans-62.1-50.7174.2-75.1-175.9-173.6107.8-3.3111.9R113 A114 R119 G120 E121R113-R117 WeakPolarHBondContact O-CG 3.49Å; R113-R117 PolarHBondContact O-N 3.18Å; A114-R117 PolarHBondContact O-N 3.37Å; R117-R119 VanDerWaalsContact C-N 3.33Å; R117-R119 PolarHBondContact O-N 3.05Å; R117-G120 PolarHBondContact O-N 3.13Å; R117-E121 WeakPolarHBondContact O-CG 3.44Å; R117-E121 PolarHBondContact O-N 2.9Å
118M77Confident71.8Confident115 Ų115108.9 Ų108.957%0.56753%0.527SS*.Hα-helixtrans-58.5-46.4176.8-73.4172.242.200111.1A114 G120 E121 F122A114-M118 WeakPolarHBondContact O-CG 3.48Å; A114-M118 PolarHBondContact O-N 3.38Å; M118-G120 PolarHBondContact O-N 3Å; M118-E121 PolarHBondContact O-N 3.44Å; M118-F122 WeakPolarHBondContact O-CD2 3.39Å; M118-F122 PolarHBondContact O-N 2.86Å
119R75Confident70.4Confident205 Ų205110.2 Ų110.277%0.77454%0.538SS*.Hα-helixtrans-69.5-32.5-178.2-167.8175.1179.11720.5113Q115 E116 R117 K123Q115-R119 WeakPolarHBondContact O-CB 3.25Å; Q115-R119 PolarHBondContact O-N 2.87Å; E116-R119 PolarHBondContact O-N 2.92Å; R117-R119 VanDerWaalsContact C-N 3.33Å; R117-R119 PolarHBondContact O-N 3.05Å; R119-K123 WeakPolarHBondContact O-CB 3.2Å; R119-K123 PolarHBondContact O-N 3.47Å; R119-K123 VanDerWaalsContact O-N 3.11Å
120G62.1Low68.9Low30 Ų30111.7 Ų111.731%0.30955%0.55SS.*Hα-helixtrans-65.6-48.6174.300000111.9E116 R117 M118 F122 K123 D124E116-G120 PolarHBondContact O-N 3.18Å; R117-G120 PolarHBondContact O-N 3.13Å; M118-G120 PolarHBondContact O-N 3Å; G120-F122 VanDerWaalsContact C-N 3.3Å; G120-F122 PolarHBondContact O-N 3.38Å; G120-K123 PolarHBondContact O-N 2.92Å; G120-D124 PolarHBondContact O-N 3.41Å
121E59.9Low67.1Low134 Ų134113.3 Ų113.363%0.62656%0.557SS**Hα-helixtrans-59.6-39.4177.6-71.2168.2-161.900112.1R117 M118 M125R117-E121 WeakPolarHBondContact O-CG 3.44Å; R117-E121 PolarHBondContact O-N 2.9Å; M118-E121 PolarHBondContact O-N 3.44Å; E121-M125 VanDerWaalsContact O-CB 3.31Å; E121-M125 WeakPolarHBondContact O-CB 3.41Å; E121-M125 PolarHBondContact O-N 3.47Å
122F55.3Low65.1Low123 Ų123116.3 Ų116.354%0.53957%0.571SS.*Hα-helixtrans-69.8-32.3174.3-80.5-69.7000113.6M118 G120 M125 L126M118-F122 WeakPolarHBondContact O-CD2 3.39Å; M118-F122 PolarHBondContact O-N 2.86Å; G120-F122 VanDerWaalsContact C-N 3.3Å; G120-F122 PolarHBondContact O-N 3.38Å; F122-M125 HydrophobicContact CD1-CE 3.46Å; F122-M125 VanDerWaalsContact CD1-CE 3.46Å; F122-M125 HydrophobicContact CE1-CE 3.66Å; F122-L126 WeakPolarHBondContact O-CB 3.39Å; F122-L126 PolarHBondContact O-N 2.91Å
123K65.1Low62.9Low128 Ų128113.9 Ų113.956%0.55758%0.576SS**Hα-helixtrans-73.1-42.5179.1-175.9156.7179.1176.30111.3R119 G120 M125 L126 E127R119-K123 WeakPolarHBondContact O-CB 3.2Å; R119-K123 PolarHBondContact O-N 3.47Å; R119-K123 VanDerWaalsContact O-N 3.11Å; G120-K123 PolarHBondContact O-N 2.92Å; K123-M125 VanDerWaalsContact C-N 3.31Å; K123-M125 PolarHBondContact O-N 2.95Å; K123-L126 PolarHBondContact O-N 2.95Å; K123-E127 WeakPolarHBondContact CE-OE1 3.36Å; K123-E127 WeakPolarHBondContact O-CG 3.43Å; K123-E127 PolarHBondContact O-N 3.44Å
124D57.9Low60.6Low110 Ų110113 Ų11359%0.58859%0.587SS**Hα-helixtrans-66.1-35.3175.5-66-12.1000111.2G120 E127 A128G120-D124 PolarHBondContact O-N 3.41Å; D124-E127 PolarHBondContact O-N 2.93Å; D124-A128 VanDerWaalsContact O-CB 3.26Å; D124-A128 WeakPolarHBondContact O-CB 3.49Å; D124-A128 PolarHBondContact O-N 3.5Å
125M59.9Low58Low91 Ų91114.4 Ų114.445%0.44861%0.607SS.*Hα-helixtrans-68.3-40.2174.1-171.3171.66100112.6E121 F122 K123 E127 A128 E129E121-M125 VanDerWaalsContact O-CB 3.31Å; E121-M125 WeakPolarHBondContact O-CB 3.41Å; E121-M125 PolarHBondContact O-N 3.47Å; F122-M125 HydrophobicContact CD1-CE 3.46Å; F122-M125 VanDerWaalsContact CD1-CE 3.46Å; F122-M125 HydrophobicContact CE1-CE 3.66Å; K123-M125 VanDerWaalsContact C-N 3.31Å; K123-M125 PolarHBondContact O-N 2.95Å; M125-E127 VanDerWaalsContact C-N 3.33Å; M125-E127 PolarHBondContact O-N 2.84Å; M125-A128 PolarHBondContact O-N 3.27Å; M125-E129 WeakPolarHBondContact O-CG 3.3Å; M125-E129 PolarHBondContact O-N 3.38Å
126L55.6Low55.5Low126 Ų126117.2 Ų117.266%0.6662%0.622SS**Hα-helixtrans-66-34.2174.7-110.7147000112.5F122 K123 A130F122-L126 WeakPolarHBondContact O-CB 3.39Å; F122-L126 PolarHBondContact O-N 2.91Å; K123-L126 PolarHBondContact O-N 2.95Å; L126-A130 PolarHBondContact O-N 3.14Å
127E56.7Low53.2Low113 Ų113119.9 Ų119.953%0.52863%0.632SS.*Hα-helixtrans-76.1-32.5174.9-70179.3-164.600112.1K123 D124 M125 T131K123-E127 WeakPolarHBondContact CE-OE1 3.36Å; K123-E127 WeakPolarHBondContact O-CG 3.43Å; K123-E127 PolarHBondContact O-N 3.44Å; D124-E127 PolarHBondContact O-N 2.93Å; M125-E127 VanDerWaalsContact C-N 3.33Å; M125-E127 PolarHBondContact O-N 2.84Å; E127-T131 PolarHBondContact O-OG1 3.36Å
128A55.5Low50.9Low47 Ų47123.6 Ų123.639%0.38865%0.646SS.*Hα-helixtrans-69-41.9172.900000112.4D124 M125 A130 T131 T132D124-A128 VanDerWaalsContact O-CB 3.26Å; D124-A128 WeakPolarHBondContact O-CB 3.49Å; D124-A128 PolarHBondContact O-N 3.5Å; M125-A128 PolarHBondContact O-N 3.27Å; A128-A130 VanDerWaalsContact C-N 3.27Å; A128-A130 PolarHBondContact O-N 3.4Å; A128-T131 PolarHBondContact O-N 2.93Å; A128-T131 VanDerWaalsContact O-N 3.15Å; A128-T131 PolarHBondContact O-OG1 3.47Å; A128-T132 PolarHBondContact O-N 3.45Å; A128-T132 PolarHBondContact O-OG1 3.18Å
129E52.6Low48.9Very low126 Ų126124.1 Ų124.159%0.58966%0.661SS**Hα-helixtrans-66.2-28.7177.1-74.7-174.2174.800112.8M125 T131M125-E129 WeakPolarHBondContact O-CG 3.3Å; M125-E129 PolarHBondContact O-N 3.38Å; E129-T131 VanDerWaalsContact C-N 3.26Å; E129-T131 PolarHBondContact O-N 3.47Å
130A50.6Low46.8Very low76 Ų76123.3 Ų123.363%0.62866%0.663SS**Hα-helixtrans-69.7-20.117500000113.6L126 A128L126-A130 PolarHBondContact O-N 3.14Å; A128-A130 VanDerWaalsContact C-N 3.27Å; A128-A130 PolarHBondContact O-N 3.4Å
131T49.5Very low45.5Very low109 Ų109129 Ų12967%0.66969%0.686SS**Hα-helixtrans-106.9-14.5-176.346.10000114.8E127 A128 E129E127-T131 PolarHBondContact O-OG1 3.36Å; A128-T131 PolarHBondContact O-N 2.93Å; A128-T131 VanDerWaalsContact O-N 3.15Å; A128-T131 PolarHBondContact O-OG1 3.47Å; E129-T131 VanDerWaalsContact C-N 3.26Å; E129-T131 PolarHBondContact O-N 3.47Å
132T45.4Very low44.8Very low107 Ų107130.3 Ų130.366%0.65670%0.697SS**THydrogen-bonded Turntrans-95.98.6-176.151.80000116A128 V134A128-T132 PolarHBondContact O-N 3.45Å; A128-T132 PolarHBondContact O-OG1 3.18Å; T132-V134 PolarHBondContact O-N 3.33Å
133T37.8Very low43.8Very low124 Ų124131.6 Ų131.676%0.76171%0.71SS**THydrogen-bonded Turntrans-79.63.6175.349.80000114.7
134V33.8Very low42.6Very low138 Ų138131 Ų13184%0.83672%0.722SS**SBendtrans-119.283.5174.2-171.70000110T132T132-V134 PolarHBondContact O-N 3.33Å
135G29.7Very low41.5Very low75 Ų75134.8 Ų134.877%0.77374%0.736SS**  trans-17524.2179.100000116.6K137G135-K137 PolarHBondContact O-N 2.89Å
136M29.4Very low40.7Very low193 Ų193137 Ų13795%0.95176%0.755SS**  trans-85.596.7176.9-159.396.1133.400109.9
137K30.3Very low39.8Very low188 Ų188135.9 Ų135.982%0.81776%0.763SS**  trans-157.597159.2-129.4173.2-179176.60113.5G135G135-K137 PolarHBondContact O-N 2.89Å
138R30.5Very low39.1Very low238 Ų238136 Ų13690%0.89878%0.777SS**  38.4118.7129-57.4179.1177.8176.2-1.3118.7
139S34.3Very low38.2Very low126 Ų126142.7 Ų142.788%0.88180%0.8SS**  -149.7119.3127.856.50000110
140K30.2Very low37.7Very low188 Ų188144.2 Ų144.282%0.81781%0.812SS**  trans-95.2133.2168.8161-176.9174.3168.90105.6
141D35.4Very low37Very low149 Ų149146.7 Ų146.780%0.79781%0.814SS**  trans159.2115.8148.8-80.7-15.3000108.8
142D46Very low36.4Very low161 Ų161146 Ų14686%0.86181%0.814SS**  trans-162.9111.3137-149.83.8000110.1
143D34.3Very low36Very low151 Ų151149.4 Ų149.481%0.80782%0.822SS**  trans-88.5139.5166.1-79.1-47000108.1
144S38.5Very low36.2Very low114 Ų114155.3 Ų155.380%0.79783%0.831SS**  163.3137.5125.150.80000113.9
145E35.8Very low36.4Very low190 Ų190156.1 Ų156.189%0.88883%0.829SS**  trans-69.4139.1173.6-55.4173.9152.500111.2
146T42.6Very low36.8Very low138 Ų138158.5 Ų158.585%0.84783%0.833SS**  trans-136.690.6158.226.80000109.5
147A37.5Very low37.2Very low102 Ų102154 Ų15484%0.84383%0.826SS**  trans-65.4128.4153.100000108.5
148S40.9Very low37.3Very low115 Ų115153 Ų15380%0.80483%0.825SS**  trans-134.4108.2156.452.20000109
149E36.8Very low37.3Very low188 Ų188148.6 Ų148.688%0.87981%0.813SS**  trans-85.9114.9167.4-170179.5-159.100106.5
150L42.2Very low37.7Very low159 Ų159148.2 Ų148.283%0.83281%0.808SS**  trans-147.995.9162-75.5178.7000105.5
151D35.7Very low38.5Very low128 Ų128148.5 Ų148.568%0.68481%0.81SS**  68.8111.583-167.99.2000112.8
152S38.1Very low39.3Very low94 Ų94151 Ų15166%0.65781%0.813SS**  149.287.9126-80.20000111.6R154S152-R154 PolarHBondContact O-N 2.85Å
153E37.2Very low39.7Very low179 Ų179148.6 Ų148.684%0.83679%0.792SS**  20.898.3119.8-53.6-159.915400116.1
154R42.2Very low40.8Very low248 Ų248152 Ų15294%0.93679%0.794SS**  trans-110.6101.5152.2-112.7-175.5-179.5-165.10.9109S152S152-R154 PolarHBondContact O-N 2.85Å
155L36.4Very low41.7Very low155 Ų155149 Ų14981%0.81277%0.772SS**  trans-37.5133161.9-63156.6000112.5
156C37.8Very low42.9Very low124 Ų124142.9 Ų142.984%0.83875%0.754SS**  172.9114.9115.5-91.30000112.8
157A38.2Very low43.7Very low98 Ų98139.7 Ų139.781%0.8173%0.732SS**  trans67.899.913600000120.8
158E32.9Very low44.9Very low169 Ų169143 Ų14379%0.7974%0.736SS**  37.8121.6125.4-100.7-169.1147.900122.4
159H31.1Very low46.1Very low144 Ų144141.7 Ų141.767%0.66772%0.723SS**  trans81.6140.8147-76.4-63.5000120.9
160P41.5Very low47.5Very low119 Ų119142.6 Ų142.677%0.77372%0.72SS**  cis-120.3166.821.433.5-15.3000116.3K162P160-K162 PolarHBondContact O-N 3.33Å
161K47.5Very low48.6Very low194 Ų194138.2 Ų138.284%0.84370%0.697SS**  trans-24.9112.2179.4-77.2162.8171.9172.70114.2R163K161-R163 PolarHBondContact O-N 2.99Å
162K51.5Low50.2Low202 Ų202136.5 Ų136.588%0.87869%0.688SS**  trans-59111.2162.5-65-179-179.9-179.90107.5P160 R164P160-K162 PolarHBondContact O-N 3.33Å; K162-R164 PolarHBondContact O-N 3.15Å
163R54.5Low51.7Low109 Ų109137.9 Ų137.941%0.41169%0.694SS.*PPolyproline II helixtrans-51.5120.6168.9-83.8163.258.4111.9-15107.7K161 E182 G186 V188K161-R163 PolarHBondContact O-N 2.99Å; R163-E182 IonicContact CZ-OE1 2.88Å; R163-E182 VanDerWaalsContact NH1-CD 3.27Å; R163-E182 IonicContact NH1-OE1 3.84Å; R163-E182 PolarHBondContact NH1-OE1 3Å; R163-E182 IonicContact NH2-OE1 2.99Å; R163-G186 VanDerWaalsContact CZ-O 3.25Å; R163-G186 PolarHBondContact NH1-O 3.22Å; R163-V188 HydrophobicContact CB-CG2 4Å; R163-V188 VanDerWaalsContact CZ-CG2 3.43Å
164R57.2Low53.4Low223 Ų223132.6 Ų132.684%0.84269%0.687SS**PPolyproline II helixtrans-79.7135171-69-178.6179171.2-1.7107.5K162K162-R164 PolarHBondContact O-N 3.15Å
165S57.7Low54.6Low50 Ų50124.2 Ų124.235%0.3566%0.661SS.*BIsolated β-bridgetrans-63.7142.2163.648.90000108.7N167 V188S165-N167 PolarHBondContact OG-O 3.21Å; S165-V188 WeakPolarHBondContact CA-O 3.39Å
166A61.3Low55.9Low62 Ų62121.5 Ų121.551%0.51266%0.655SS.*SBendtrans-65.4-34.6174.300000111.6V187 V188 V189A166-V187 HydrophobicContact CB-CG1 3.68Å; A166-V188 PolarHBondContact N-O 3.26Å; A166-V188 VanDerWaalsContact N-O 3.08Å; A166-V189 HydrophobicContact CB-CG2 4.33Å
167N60Low57Low72 Ų72122 Ų12239%0.38565%0.645SS.*SBendtrans-107.4125.2-177.4-65.8-21.2000109.6S165 V169S165-N167 PolarHBondContact OG-O 3.21Å; N167-V169 HydrophobicContact CB-CG2 3.9Å; N167-V169 PolarHBondContact O-N 3.42Å
168D61.6Low58.3Low171 Ų171121.8 Ų121.891%0.91463%0.626SS**  trans-82.150.7174.5-159.318.5000110.4
169V66.7Low59.7Low87 Ų87115.4 Ų115.453%0.52760%0.603SS.*PPolyproline II helixtrans-87.9123.4-178.6174.30000108.7N167 L171N167-V169 HydrophobicContact CB-CG2 3.9Å; N167-V169 PolarHBondContact O-N 3.42Å; V169-L171 PolarHBondContact O-N 3.37Å
170Y65.4Low61.6Low207 Ų207113.2 Ų113.281%0.81260%0.595SS**PPolyproline II helixtrans-66.2117.3174.6-174.2-95.8000110
171L65.9Low62.9Low67 Ų67110.9 Ų110.935%0.35157%0.573SS.*PPolyproline II helixtrans-82.7126.3175.7-61.5175.9000109.9V169 P173 F178 F190V169-L171 PolarHBondContact O-N 3.37Å; L171-P173 WeakPolarHBondContact O-CD 3.48Å; L171-F178 HydrophobicContact CD1-CE2 4.48Å; L171-F178 HydrophobicContact CD2-CB 4.38Å; L171-F178 HydrophobicContact CD2-CD1 4.5Å; L171-F178 HydrophobicContact CD2-CG 4.24Å; L171-F190 HydrophobicContact CD1-CE1 3.59Å; L171-F190 HydrophobicContact CD1-CZ 3.74Å; L171-F190 HydrophobicContact CD2-CD1 3.88Å; L171-F190 HydrophobicContact CD2-CE1 3.76Å; L171-F190 HydrophobicContact CD2-CG 4.46Å; L171-F190 HydrophobicContact CD2-CZ 4.22Å; L171-F190 HydrophobicContact CG-CE1 4.11Å; L171-F190 HydrophobicContact CG-CZ 4.19Å
172D69.7Low64.1Low93 Ų93107.7 Ų107.750%0.49756%0.562SS.*PPolyproline II helixtrans-74.6119.8166.7177.712.8000109.8G174 N175D172-G174 PolarHBondContact O-N 2.85Å; D172-G174 PolarHBondContact OD1-N 3.36Å; D172-N175 HydrophobicContact CB-CB 4Å; D172-N175 PolarHBondContact O-N 2.91Å
173P69.7Low64.8Low123 Ų123101.6 Ų101.680%0.79954%0.539SS*.THydrogen-bonded Turntrans-60.3-22.4174.9-20.331.9000114L171 N175L171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-N175 VanDerWaalsContact C-N 3.32Å
174G73.5Confident65.6Low67 Ų67103.7 Ų103.769%0.69156%0.563SS**THydrogen-bonded Turntrans-79-13.3175.900000114D172D172-G174 PolarHBondContact O-N 2.85Å; D172-G174 PolarHBondContact OD1-N 3.36Å
175N66Low66.5Low73 Ų73100.3 Ų100.339%0.3956%0.562SS.*  trans-97.6109.5-178.6-171.3-5000110.6D172 P173 H177D172-N175 HydrophobicContact CB-CB 4Å; D172-N175 PolarHBondContact O-N 2.91Å; P173-N175 VanDerWaalsContact C-N 3.32Å; N175-H177 VanDerWaalsContact C-N 3.25Å; N175-H177 PolarHBondContact O-N 3.38Å; N175-H177 WeakPolarHBondContact OD1-CB 3.28Å; N175-H177 PolarHBondContact OD1-N 2.92Å
176S63.7Low67Low98 Ų9899 Ų9969%0.68556%0.556SS**  trans-80.2-1.7176.2530000114.3
177H60.5Low67.5Low134 Ų13498.5 Ų98.562%0.6255%0.547SS*.  trans-104.356.5-169.6-57.6-77.5000112.4N175N175-H177 VanDerWaalsContact C-N 3.25Å; N175-H177 PolarHBondContact O-N 3.38Å; N175-H177 WeakPolarHBondContact OD1-CB 3.28Å; N175-H177 PolarHBondContact OD1-N 2.92Å
178F65.6Low67.7Low93 Ų9396.1 Ų96.141%0.40853%0.534SS..  trans-119128.7165.764.4-89.6000109.9L171 I180 F190L171-F178 HydrophobicContact CD1-CE2 4.48Å; L171-F178 HydrophobicContact CD2-CB 4.38Å; L171-F178 HydrophobicContact CD2-CD1 4.5Å; L171-F178 HydrophobicContact CD2-CG 4.24Å; F178-I180 HydrophobicContact CD2-CD1 4.1Å; F178-I180 HydrophobicContact CD2-CG1 3.99Å; F178-I180 HydrophobicContact CE2-CD1 3.73Å; F178-I180 HydrophobicContact CE2-CG1 4.15Å; F178-F190 HydrophobicContact CD2-CD1 4.4Å; F178-F190 HydrophobicContact CD2-CE1 4.35Å
179A63.2Low68.1Low36 Ų3689.3 Ų89.330%0.29850%0.499SS..EExtended strand (participates in β ladder)trans-98.6135.6171.200000109.8L191A179-L191 HydrophobicContact CB-CB 4.12Å; A179-L191 HydrophobicContact CB-CD1 4.06Å; A179-L191 HydrophobicContact CB-CG 4.43Å; A179-L191 PolarHBondContact O-N 3.44Å
180I70Confident68.2Low98 Ų9886.8 Ų86.850%0.50348%0.481SS..EExtended strand (participates in β ladder)trans-106.7119.8177.1-69169000107.9F178 V188 F190F178-I180 HydrophobicContact CD2-CD1 4.1Å; F178-I180 HydrophobicContact CD2-CG1 3.99Å; F178-I180 HydrophobicContact CE2-CD1 3.73Å; F178-I180 HydrophobicContact CE2-CG1 4.15Å; I180-V188 HydrophobicContact CG2-CG1 3.34Å; I180-F190 HydrophobicContact CD1-CE1 4.34Å; I180-F190 HydrophobicContact CG1-CD1 4.19Å; I180-F190 HydrophobicContact CG1-CE1 4.05Å
181Q69Low68.2Low69 Ų6978.2 Ų78.232%0.32245%0.449SS..EExtended strand (participates in β ladder)trans-108.1139.5170.6-171.2162.611.100110.3V189 L191 S199Q181-V189 PolarHBondContact N-O 3.32Å; Q181-V189 PolarHBondContact O-N 2.96Å; Q181-L191 HydrophobicContact CB-CD1 4.12Å; Q181-L191 HydrophobicContact CB-CD2 4.28Å; Q181-L191 HydrophobicContact CB-CG 4.23Å; Q181-S199 PolarHBondContact OE1-OG 2.99Å
182E72.5Confident68.1Low128 Ų12879.1 Ų79.160%0.59846%0.461SS*.EExtended strand (participates in β ladder)trans-94.7119.3169.2175.5168.6-152.600109R163 V187R163-E182 IonicContact CZ-OE1 2.88Å; R163-E182 VanDerWaalsContact NH1-CD 3.27Å; R163-E182 IonicContact NH1-OE1 3.84Å; R163-E182 PolarHBondContact NH1-OE1 3Å; R163-E182 IonicContact NH2-OE1 2.99Å; E182-V187 WeakPolarHBondContact CA-O 3.39Å
183D67.4Low67.9Low74 Ų7480.6 Ų80.640%0.39647%0.469SS..  trans-72.8162.6170-76.3-23.2000111.1D185 G186 V187 V189D183-D185 PolarHBondContact O-N 3.07Å; D183-D185 VanDerWaalsContact O-N 3.09Å; D183-G186 PolarHBondContact O-N 3.32Å; D183-V187 HydrophobicContact CB-CB 4.32Å; D183-V187 PolarHBondContact N-O 2.98Å; D183-V189 VanDerWaalsContact OD2-CG2 3.24Å; D183-V189 WeakPolarHBondContact OD2-CG2 3.49Å
184V71.2Confident67.3Low152 Ų15281.6 Ų81.692%0.92147%0.468SS*.THydrogen-bonded Turntrans-57.2-27.6-179.1-155.90000112.5G186V184-G186 VanDerWaalsContact C-N 3.29Å; V184-G186 PolarHBondContact O-N 3.21Å
185D75.6Confident66.7Low153 Ų15380 Ų8082%0.81845%0.446SS*.THydrogen-bonded Turntrans-86.96.5177.9-62.9-38.6000113.6D183 V187D183-D185 PolarHBondContact O-N 3.07Å; D183-D185 VanDerWaalsContact O-N 3.09Å; D185-V187 VanDerWaalsContact C-N 3.35Å; D185-V187 HydrophobicContact CB-CG2 4.42Å
186G68.2Low66.3Low23 Ų2381.3 Ų81.324%0.23745%0.45CS..SBendtrans74.923.4-179.700000113.8R163 D183 V184R163-G186 VanDerWaalsContact CZ-O 3.25Å; R163-G186 PolarHBondContact NH1-O 3.22Å; D183-G186 PolarHBondContact O-N 3.32Å; V184-G186 VanDerWaalsContact C-N 3.29Å; V184-G186 PolarHBondContact O-N 3.21Å
187V71.8Confident65.8Low51 Ų5181.7 Ų81.731%0.30945%0.448SS..  trans-87.9136.9174.6-179.80000109.4A166 E182 D183 D185 V189A166-V187 HydrophobicContact CB-CG1 3.68Å; E182-V187 WeakPolarHBondContact CA-O 3.39Å; D183-V187 HydrophobicContact CB-CB 4.32Å; D183-V187 PolarHBondContact N-O 2.98Å; D185-V187 VanDerWaalsContact C-N 3.35Å; D185-V187 HydrophobicContact CB-CG2 4.42Å; V187-V189 HydrophobicContact CG1-CG2 4.41Å
188V65.5Low65.7Low21 Ų2180.3 Ų80.313%0.12745%0.453CS..EExtended strand (participates in β ladder)trans-89.2117.7175.4-170.50000107.9R163 S165 A166 I180R163-V188 HydrophobicContact CB-CG2 4Å; R163-V188 VanDerWaalsContact CZ-CG2 3.43Å; S165-V188 WeakPolarHBondContact CA-O 3.39Å; A166-V188 PolarHBondContact N-O 3.26Å; A166-V188 VanDerWaalsContact N-O 3.08Å; I180-V188 HydrophobicContact CG2-CG1 3.34Å
189V69.6Low65.8Low29 Ų2977.5 Ų77.518%0.17645%0.445CS..EExtended strand (participates in β ladder)trans-108.9129.9173.4-174.90000109.2A166 Q181 D183 V187 L191A166-V189 HydrophobicContact CB-CG2 4.33Å; Q181-V189 PolarHBondContact N-O 3.32Å; Q181-V189 PolarHBondContact O-N 2.96Å; D183-V189 VanDerWaalsContact OD2-CG2 3.24Å; D183-V189 WeakPolarHBondContact OD2-CG2 3.49Å; V187-V189 HydrophobicContact CG1-CG2 4.41Å; V189-L191 HydrophobicContact CG1-CD2 4.49Å
190F68.5Low66.2Low34 Ų3480 Ų8015%0.14945%0.449CS..EExtended strand (participates in β ladder)trans-79.2119.8167.8-66.9-70.2000108.4L171 F178 I180L171-F190 HydrophobicContact CD1-CE1 3.59Å; L171-F190 HydrophobicContact CD1-CZ 3.74Å; L171-F190 HydrophobicContact CD2-CD1 3.88Å; L171-F190 HydrophobicContact CD2-CE1 3.76Å; L171-F190 HydrophobicContact CD2-CG 4.46Å; L171-F190 HydrophobicContact CD2-CZ 4.22Å; L171-F190 HydrophobicContact CG-CE1 4.11Å; L171-F190 HydrophobicContact CG-CZ 4.19Å; F178-F190 HydrophobicContact CD2-CD1 4.4Å; F178-F190 HydrophobicContact CD2-CE1 4.35Å; I180-F190 HydrophobicContact CD1-CE1 4.34Å; I180-F190 HydrophobicContact CG1-CD1 4.19Å; I180-F190 HydrophobicContact CG1-CE1 4.05Å
191L64.6Low66.6Low26 Ų2682.1 Ų82.114%0.13646%0.455CS..EExtended strand (participates in β ladder)trans-83.6117.7171.9-56.4-177.1000107.5A179 Q181 V189A179-L191 HydrophobicContact CB-CB 4.12Å; A179-L191 HydrophobicContact CB-CD1 4.06Å; A179-L191 HydrophobicContact CB-CG 4.43Å; A179-L191 PolarHBondContact O-N 3.44Å; Q181-L191 HydrophobicContact CB-CD1 4.12Å; Q181-L191 HydrophobicContact CB-CD2 4.28Å; Q181-L191 HydrophobicContact CB-CG 4.23Å; V189-L191 HydrophobicContact CG1-CD2 4.49Å
192S64Low67.3Low87 Ų8782.3 Ų82.361%0.60847%0.469SS*.PPolyproline II helixtrans-64.3160.7167.4-57.70000110.4D194 S195S192-D194 PolarHBondContact O-N 3.32Å; S192-D194 VanDerWaalsContact O-N 3.1Å; S192-S195 WeakPolarHBondContact O-CA 3.26Å; S192-S195 VanDerWaalsContact O-CB 3.24Å; S192-S195 WeakPolarHBondContact O-CB 3.43Å; S192-S195 PolarHBondContact O-N 3.41Å
193D65Low67.8Low123 Ų12382.3 Ų82.366%0.65847%0.473SS*.G310 helixtrans-46.8-40.4-180-162.45.6000112.9S195D193-S195 VanDerWaalsContact C-N 3.26Å; D193-S195 PolarHBondContact O-N 3.35Å
194D58.4Low68.7Low145 Ų14582.2 Ų82.278%0.77547%0.47SS*.G310 helixtrans-72.2-14.9178.9-58.6-36.3000114.4S192S192-D194 PolarHBondContact O-N 3.32Å; S192-D194 VanDerWaalsContact O-N 3.1Å
195S60.8Low69.4Low33 Ų3377.7 Ų77.723%0.23144%0.44CS..G310 helixtrans-86.5-10.9-173.3-172.50000113.6S192 D193 V197 S198 S199S192-S195 WeakPolarHBondContact O-CA 3.26Å; S192-S195 VanDerWaalsContact O-CB 3.24Å; S192-S195 WeakPolarHBondContact O-CB 3.43Å; S192-S195 PolarHBondContact O-N 3.41Å; D193-S195 VanDerWaalsContact C-N 3.26Å; D193-S195 PolarHBondContact O-N 3.35Å; S195-V197 PolarHBondContact O-N 2.94Å; S195-S198 PolarHBondContact O-N 2.79Å; S195-S198 VanDerWaalsContact O-N 3.11Å; S195-S199 PolarHBondContact O-N 2.8Å
196E56.7Low70.1Confident101 Ų10174.3 Ų74.347%0.47242%0.419SS..Hα-helixtrans-56.5-37.4178.8-64.9-168.2170.800111.4F200E196-F200 WeakPolarHBondContact O-CD2 3.43Å; E196-F200 WeakPolarHBondContact O-CE2 3.4Å
197V54.2Low71.1Confident105 Ų10578.4 Ų78.464%0.63643%0.434SS*.Hα-helixtrans-75.9-30.1-179.8-159.20000112.6S195S195-V197 PolarHBondContact O-N 2.94Å
198S58.8Low72Confident105 Ų10579.2 Ų79.273%0.73444%0.436SS*.Hα-helixtrans-86.7-15-178.6-63.10000113.6S195S195-S198 PolarHBondContact O-N 2.79Å; S195-S198 VanDerWaalsContact O-N 3.11Å
199S67.2Low73.2Confident35 Ų3585.4 Ų85.425%0.24546%0.457CS..Hα-helixtrans-78.6-20178.4-174.70000113Q181 S195 K201Q181-S199 PolarHBondContact OE1-OG 2.99Å; S195-S199 PolarHBondContact O-N 2.8Å; S199-K201 PolarHBondContact O-N 2.69Å
200F71.8Confident74.2Confident88 Ų8889.4 Ų89.439%0.38647%0.472SS..SBendtrans-68.3129.8-178-65.8-62.1000112.3E196 E204 L205 I208E196-F200 WeakPolarHBondContact O-CD2 3.43Å; E196-F200 WeakPolarHBondContact O-CE2 3.4Å; F200-E204 WeakPolarHBondContact CA-OE2 3.46Å; F200-E204 HydrophobicContact CB-CB 4.31Å; F200-E204 HydrophobicContact CD1-CB 4.22Å; F200-L205 HydrophobicContact CB-CD1 4.41Å; F200-L205 HydrophobicContact CB-CD2 3.65Å; F200-L205 HydrophobicContact CB-CG 3.64Å; F200-L205 HydrophobicContact CD2-CD2 3.98Å; F200-L205 HydrophobicContact CG-CD2 4.11Å; F200-I208 HydrophobicContact CD1-CD1 3.95Å; F200-I208 HydrophobicContact CD2-CD1 4.21Å; F200-I208 HydrophobicContact CE1-CD1 3.91Å; F200-I208 HydrophobicContact CE2-CD1 4.17Å; F200-I208 HydrophobicContact CG-CD1 4.11Å; F200-I208 HydrophobicContact CZ-CD1 4.03Å
201K78.4Confident75.2Confident142 Ų14292 Ų9262%0.61749%0.487SS*.  trans-65.9154.3169-63.8174.6-177.8170.90109.8S199 D203 E204 L205S199-K201 PolarHBondContact O-N 2.69Å; K201-D203 PolarHBondContact O-N 3.18Å; K201-D203 VanDerWaalsContact O-N 3.14Å; K201-E204 HydrophobicContact CB-CG 4.21Å; K201-E204 PolarHBondContact N-OE2 3.35Å; K201-E204 WeakPolarHBondContact O-CA 3.37Å; K201-E204 WeakPolarHBondContact O-CB 3.36Å; K201-E204 PolarHBondContact O-N 3.12Å; K201-L205 PolarHBondContact O-N 2.97Å
202A82.3Confident76.3Confident74 Ų7496.2 Ų96.261%0.61251%0.506SS*.Hα-helixtrans-52.7-38.9-179.900000113.3L205 E206A202-L205 PolarHBondContact O-N 2.86Å; A202-E206 PolarHBondContact O-N 3.38Å
203D84.6Confident77.5Confident128 Ų12896.5 Ų96.568%0.68450%0.504SS*.Hα-helixtrans-67.2-37.4177.5-58.4-19.6000112.3K201 E206 M207K201-D203 PolarHBondContact O-N 3.18Å; K201-D203 VanDerWaalsContact O-N 3.14Å; D203-E206 PolarHBondContact O-N 2.88Å; D203-M207 PolarHBondContact O-N 2.87Å
204E86.5Confident78.7Confident72 Ų7297.4 Ų97.434%0.33650%0.502SS..Hα-helixtrans-68.3-43.3177.1-64.7168.9164.100110.3F200 K201 E206 M207 I208F200-E204 WeakPolarHBondContact CA-OE2 3.46Å; F200-E204 HydrophobicContact CB-CB 4.31Å; F200-E204 HydrophobicContact CD1-CB 4.22Å; K201-E204 HydrophobicContact CB-CG 4.21Å; K201-E204 PolarHBondContact N-OE2 3.35Å; K201-E204 WeakPolarHBondContact O-CA 3.37Å; K201-E204 WeakPolarHBondContact O-CB 3.36Å; K201-E204 PolarHBondContact O-N 3.12Å; E204-E206 VanDerWaalsContact C-N 3.33Å; E204-E206 PolarHBondContact O-N 3.48Å; E204-M207 WeakPolarHBondContact O-CB 3.39Å; E204-M207 PolarHBondContact O-N 3.47Å; E204-I208 VanDerWaalsContact O-CG1 3.25Å; E204-I208 WeakPolarHBondContact O-CG1 3.26Å; E204-I208 PolarHBondContact O-N 3.34Å
205L85Confident80Confident56 Ų5693.9 Ų93.929%0.29349%0.488SS..Hα-helixtrans-61.1-40.4173.4-71.3174.7000112F200 K201 A202 I208 R209F200-L205 HydrophobicContact CB-CD1 4.41Å; F200-L205 HydrophobicContact CB-CD2 3.65Å; F200-L205 HydrophobicContact CB-CG 3.64Å; F200-L205 HydrophobicContact CD2-CD2 3.98Å; F200-L205 HydrophobicContact CG-CD2 4.11Å; K201-L205 PolarHBondContact O-N 2.97Å; A202-L205 PolarHBondContact O-N 2.86Å; L205-I208 PolarHBondContact O-N 2.85Å; L205-R209 WeakPolarHBondContact O-CB 3.33Å; L205-R209 WeakPolarHBondContact O-CG 3.47Å; L205-R209 PolarHBondContact O-N 3.25Å
206E89.3Confident81.1Confident82 Ų8298.5 Ų98.538%0.38350%0.503SS..Hα-helixtrans-63.8-42.2175.1-167.9-173.5154.200111.9A202 D203 E204 R209 K210A202-E206 PolarHBondContact O-N 3.38Å; D203-E206 PolarHBondContact O-N 2.88Å; E204-E206 VanDerWaalsContact C-N 3.33Å; E204-E206 PolarHBondContact O-N 3.48Å; E206-R209 PolarHBondContact O-N 2.93Å; E206-K210 WeakPolarHBondContact O-CG 3.32Å; E206-K210 PolarHBondContact O-N 2.83Å; E206-K210 WeakPolarHBondContact OE1-CE 3.3Å; E206-K210 IonicContact OE1-NZ 2.65Å; E206-K210 PolarHBondContact OE1-NZ 3.2Å
207M90.3Very high82.2Confident109 Ų10998.5 Ų98.554%0.53751%0.512SS..Hα-helixtrans-62.1-45.4174.6-177.717965.600111.7D203 E204 R209 K210 L211D203-M207 PolarHBondContact O-N 2.87Å; E204-M207 WeakPolarHBondContact O-CB 3.39Å; E204-M207 PolarHBondContact O-N 3.47Å; M207-R209 VanDerWaalsContact C-N 3.32Å; M207-R209 PolarHBondContact O-N 3.08Å; M207-K210 PolarHBondContact O-N 3.04Å; M207-L211 HydrophobicContact CG-CD1 4.18Å; M207-L211 WeakPolarHBondContact O-CG 3.41Å; M207-L211 PolarHBondContact O-N 3.09Å
208I89.6Confident83.4Confident68 Ų68101.3 Ų101.335%0.34952%0.516SS..Hα-helixtrans-59.8-44.3176.6-68.9163.9000110.1F200 E204 L205 K210 L211 H212F200-I208 HydrophobicContact CD1-CD1 3.95Å; F200-I208 HydrophobicContact CD2-CD1 4.21Å; F200-I208 HydrophobicContact CE1-CD1 3.91Å; F200-I208 HydrophobicContact CE2-CD1 4.17Å; F200-I208 HydrophobicContact CG-CD1 4.11Å; F200-I208 HydrophobicContact CZ-CD1 4.03Å; E204-I208 VanDerWaalsContact O-CG1 3.25Å; E204-I208 WeakPolarHBondContact O-CG1 3.26Å; E204-I208 PolarHBondContact O-N 3.34Å; L205-I208 PolarHBondContact O-N 2.85Å; I208-K210 PolarHBondContact O-N 2.83Å; I208-L211 PolarHBondContact O-N 2.93Å; I208-H212 VanDerWaalsContact O-CB 3.3Å; I208-H212 WeakPolarHBondContact O-CB 3.5Å; I208-H212 PolarHBondContact O-N 3.39Å
209R90.7Very high84.5Confident152 Ų152101.3 Ų101.357%0.57451%0.508SS*.Hα-helixtrans-59.3-44.8175-75.7-173.4-66.1-119.90.5112.1L205 E206 M207 L211 H212 T213L205-R209 WeakPolarHBondContact O-CB 3.33Å; L205-R209 WeakPolarHBondContact O-CG 3.47Å; L205-R209 PolarHBondContact O-N 3.25Å; E206-R209 PolarHBondContact O-N 2.93Å; M207-R209 VanDerWaalsContact C-N 3.32Å; M207-R209 PolarHBondContact O-N 3.08Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-L211 PolarHBondContact O-N 2.85Å; R209-H212 PolarHBondContact O-N 2.81Å; R209-T213 WeakPolarHBondContact O-CG2 3.43Å; R209-T213 PolarHBondContact O-N 3.25Å; R209-T213 PolarHBondContact O-OG1 3.43Å
210K91.2Very high85.3Confident113 Ų113101.4 Ų101.449%0.49151%0.506SS..Hα-helixtrans-64.5-36.1177-73.7174.3-176.3166.20112.6E206 M207 I208 T213 K214E206-K210 WeakPolarHBondContact O-CG 3.32Å; E206-K210 PolarHBondContact O-N 2.83Å; E206-K210 WeakPolarHBondContact OE1-CE 3.3Å; E206-K210 IonicContact OE1-NZ 2.65Å; E206-K210 PolarHBondContact OE1-NZ 3.2Å; M207-K210 PolarHBondContact O-N 3.04Å; I208-K210 PolarHBondContact O-N 2.83Å; K210-T213 PolarHBondContact O-OG1 3.36Å; K210-K214 VanDerWaalsContact O-CG 3.24Å; K210-K214 WeakPolarHBondContact O-CG 3.48Å; K210-K214 PolarHBondContact O-N 2.82Å
211L89.8Confident86.2Confident88 Ų88101 Ų10146%0.46151%0.51SS..Hα-helixtrans-71.8-43.4175.5-72.9172.8000110.9M207 I208 R209 T213 K214 C215M207-L211 HydrophobicContact CG-CD1 4.18Å; M207-L211 WeakPolarHBondContact O-CG 3.41Å; M207-L211 PolarHBondContact O-N 3.09Å; I208-L211 PolarHBondContact O-N 2.93Å; R209-L211 VanDerWaalsContact C-N 3.34Å; R209-L211 PolarHBondContact O-N 2.85Å; L211-T213 PolarHBondContact O-N 3.26Å; L211-K214 CarbonylContact O-C 3.59Å; L211-K214 WeakPolarHBondContact O-CB 3.41Å; L211-K214 PolarHBondContact O-N 3.47Å; L211-K214 VanDerWaalsContact O-N 3.12Å; L211-C215 WeakPolarHBondContact O-CB 3.34Å; L211-C215 PolarHBondContact O-N 2.84Å; L211-C215 PolarHBondContact O-SG 3.44Å
212H88.4Confident86.7Confident115 Ų115102.7 Ų102.753%0.53252%0.518SS..Hα-helixtrans-59.4-44.7176.6178.1-98.3000111.8I208 R209 K214 C215 K216I208-H212 VanDerWaalsContact O-CB 3.3Å; I208-H212 WeakPolarHBondContact O-CB 3.5Å; I208-H212 PolarHBondContact O-N 3.39Å; R209-H212 PolarHBondContact O-N 2.81Å; H212-K214 VanDerWaalsContact C-N 3.28Å; H212-K214 PolarHBondContact O-N 2.79Å; H212-C215 PolarHBondContact O-N 3.5Å; H212-C215 VanDerWaalsContact O-N 3.16Å; H212-K216 WeakPolarHBondContact O-CB 3.2Å; H212-K216 PolarHBondContact O-N 2.81Å
213T88.8Confident87.1Confident93 Ų93105 Ų10557%0.57152%0.52SS*.Hα-helixtrans-63.9-33175.753.60000113R209 K210 L211 P217R209-T213 WeakPolarHBondContact O-CG2 3.43Å; R209-T213 PolarHBondContact O-N 3.25Å; R209-T213 PolarHBondContact O-OG1 3.43Å; K210-T213 PolarHBondContact O-OG1 3.36Å; L211-T213 PolarHBondContact O-N 3.26Å; T213-P217 WeakPolarHBondContact O-CD 3.16Å
214K89.4Confident87.6Confident142 Ų142103.3 Ų103.362%0.61751%0.508SS*.Hα-helixtrans-72.1-33.1172.8-72.2174.2-178.6-173.30113.1K210 L211 H212 P217 F218K210-K214 VanDerWaalsContact O-CG 3.24Å; K210-K214 WeakPolarHBondContact O-CG 3.48Å; K210-K214 PolarHBondContact O-N 2.82Å; L211-K214 CarbonylContact O-C 3.59Å; L211-K214 WeakPolarHBondContact O-CB 3.41Å; L211-K214 PolarHBondContact O-N 3.47Å; L211-K214 VanDerWaalsContact O-N 3.12Å; H212-K214 VanDerWaalsContact C-N 3.28Å; H212-K214 PolarHBondContact O-N 2.79Å; K214-P217 WeakPolarHBondContact O-CD 3.2Å; K214-P217 WeakPolarHBondContact O-CG 3.48Å; K214-F218 WeakPolarHBondContact O-CD2 3.49Å; K214-F218 VanDerWaalsContact O-CE2 3.31Å; K214-F218 WeakPolarHBondContact O-CE2 3.47Å
215C86.7Confident87.9Confident71 Ų71105.1 Ų105.148%0.4852%0.516SS..Hα-helixtrans-82.6-30.9-179-69.40000113.2L211 H212 P217 F218L211-C215 WeakPolarHBondContact O-CB 3.34Å; L211-C215 PolarHBondContact O-N 2.84Å; L211-C215 PolarHBondContact O-SG 3.44Å; H212-C215 PolarHBondContact O-N 3.5Å; H212-C215 VanDerWaalsContact O-N 3.16Å; C215-P217 VanDerWaalsContact C-CD 3.41Å; C215-F218 WeakPolarHBondContact O-CA 3.47Å; C215-F218 WeakPolarHBondContact O-CB 3.49Å; C215-F218 PolarHBondContact O-N 3.19Å
216K84.1Confident88.4Confident129 Ų129109.1 Ų109.156%0.56153%0.531SS*.G310 helixtrans-47.2-41.6179.6-167.9174.8-176.9-179.20115.8H212 F218 D219H212-K216 WeakPolarHBondContact O-CB 3.2Å; H212-K216 PolarHBondContact O-N 2.81Å; K216-F218 PolarHBondContact O-N 2.91Å; K216-D219 WeakPolarHBondContact O-CB 3.43Å; K216-D219 PolarHBondContact O-N 3.42Å; K216-D219 VanDerWaalsContact O-N 3.16Å
217P79.6Confident88.7Confident101 Ų101111.9 Ų111.966%0.65654%0.544SS*.G310 helixtrans-67.6-16.217626.5-36.4000114.1T213 K214 C215T213-P217 WeakPolarHBondContact O-CD 3.16Å; K214-P217 WeakPolarHBondContact O-CD 3.2Å; K214-P217 WeakPolarHBondContact O-CG 3.48Å; C215-P217 VanDerWaalsContact C-CD 3.41Å
218F78.8Confident89Confident164 Ų164113.3 Ų113.372%0.71954%0.544SS*.G310 helixtrans-95.87.4175.4-53.2-77.4000112.7K214 C215 K216 L220K214-F218 WeakPolarHBondContact O-CD2 3.49Å; K214-F218 VanDerWaalsContact O-CE2 3.31Å; K214-F218 WeakPolarHBondContact O-CE2 3.47Å; C215-F218 WeakPolarHBondContact O-CA 3.47Å; C215-F218 WeakPolarHBondContact O-CB 3.49Å; C215-F218 PolarHBondContact O-N 3.19Å; K216-F218 PolarHBondContact O-N 2.91Å; F218-L220 PolarHBondContact O-N 3.46Å
219D81.8Confident89.3Confident105 Ų105114.9 Ų114.956%0.56155%0.552SS**PPolyproline II helixtrans-60.2129.1175.2-75.5-22.6000109.4K216K216-D219 WeakPolarHBondContact O-CB 3.43Å; K216-D219 PolarHBondContact O-N 3.42Å; K216-D219 VanDerWaalsContact O-N 3.16Å
220L84.6Confident89.6Confident38 Ų38112.2 Ų112.220%0.19955%0.548CS..PPolyproline II helixtrans-67.3140.6-177.7-83.686.1000111F218 Q224 Q225 R228F218-L220 PolarHBondContact O-N 3.46Å; L220-Q224 HydrophobicContact CB-CB 4.15Å; L220-Q224 HydrophobicContact CD2-CB 3.66Å; L220-Q224 HydrophobicContact CG-CB 4.2Å; L220-Q225 HydrophobicContact CB-CG 3.72Å; L220-Q225 PolarHBondContact O-NE2 3.08Å; L220-R228 VanDerWaalsContact CD1-NH1 3.32Å; L220-R228 HydrophobicContact CD2-CG 4.27Å
221T89.2Confident90Very high78 Ų78111.7 Ų111.748%0.47955%0.549SS..PPolyproline II helixtrans-61.9154.416867.30000110.3D223 Q224 Q225T221-D223 PolarHBondContact O-N 3.14Å; T221-D223 VanDerWaalsContact O-N 3.17Å; T221-Q224 PolarHBondContact O-N 3.39Å; T221-Q224 VanDerWaalsContact O-N 3.07Å; T221-Q224 VanDerWaalsContact OG1-CG 3.31Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.13Å; T221-Q224 PolarHBondContact OG1-N 2.99Å; T221-Q225 WeakPolarHBondContact O-CG 3.36Å; T221-Q225 PolarHBondContact O-N 2.98Å
222K90.4Very high90.3Very high178 Ų178111.1 Ų111.177%0.77455%0.545SS*.Hα-helixtrans-54.2-37.2179.6-67.8-178.6178.8178.20112Q225 K226K222-Q225 PolarHBondContact O-N 2.98Å; K222-K226 PolarHBondContact O-N 2.69Å
223D91.2Very high90.8Very high123 Ų123109.8 Ų109.866%0.65854%0.542SS*.Hα-helixtrans-68.7-41.7178.4-61-38.3000112.5T221 Q225 K226 Q227T221-D223 PolarHBondContact O-N 3.14Å; T221-D223 VanDerWaalsContact O-N 3.17Å; D223-Q225 VanDerWaalsContact C-N 3.31Å; D223-Q225 PolarHBondContact O-N 3.06Å; D223-K226 PolarHBondContact O-N 3.33Å; D223-Q227 WeakPolarHBondContact O-CB 3.32Å; D223-Q227 PolarHBondContact O-N 3.39Å
224Q93.5Very high91.2Very high92 Ų92110.5 Ų110.543%0.4354%0.539SS..Hα-helixtrans-64.5-37.1174.5-69.8174-10.500111.7L220 T221 Q227 R228L220-Q224 HydrophobicContact CB-CB 4.15Å; L220-Q224 HydrophobicContact CD2-CB 3.66Å; L220-Q224 HydrophobicContact CG-CB 4.2Å; T221-Q224 PolarHBondContact O-N 3.39Å; T221-Q224 VanDerWaalsContact O-N 3.07Å; T221-Q224 VanDerWaalsContact OG1-CG 3.31Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.13Å; T221-Q224 PolarHBondContact OG1-N 2.99Å; Q224-Q227 PolarHBondContact O-N 3.04Å; Q224-R228 WeakPolarHBondContact O-CB 3.12Å; Q224-R228 WeakPolarHBondContact O-CG 3.45Å; Q224-R228 PolarHBondContact O-N 3.49Å
225Q94Very high91.6Very high111 Ų111108.2 Ų108.252%0.51953%0.533SS..Hα-helixtrans-63-44.9173.9-66.2179.88.200111.2L220 T221 K222 D223 R228 L229L220-Q225 HydrophobicContact CB-CG 3.72Å; L220-Q225 PolarHBondContact O-NE2 3.08Å; T221-Q225 WeakPolarHBondContact O-CG 3.36Å; T221-Q225 PolarHBondContact O-N 2.98Å; K222-Q225 PolarHBondContact O-N 2.98Å; D223-Q225 VanDerWaalsContact C-N 3.31Å; D223-Q225 PolarHBondContact O-N 3.06Å; Q225-R228 PolarHBondContact O-N 3.4Å; Q225-L229 WeakPolarHBondContact O-CB 3.2Å; Q225-L229 PolarHBondContact O-N 3.36Å
226K95.2Very high92.1Very high140 Ų140111 Ų11161%0.60954%0.537SS*.Hα-helixtrans-60.5-46.1175.5-172.7-179.6178.8-176.10111.4K222 D223 R228 L229 I230K222-K226 PolarHBondContact O-N 2.69Å; D223-K226 PolarHBondContact O-N 3.33Å; K226-R228 PolarHBondContact O-N 3.07Å; K226-L229 WeakPolarHBondContact O-CB 3.42Å; K226-L229 PolarHBondContact O-N 2.86Å; K226-I230 HydrophobicContact CG-CD1 4.22Å; K226-I230 WeakPolarHBondContact O-CG1 3.35Å; K226-I230 PolarHBondContact O-N 3.45Å
227Q95.9Very high92.7Very high140 Ų140106.7 Ų106.765%0.65453%0.526SS*.Hα-helixtrans-62.2-42.9177.5-170.2179.113.100112D223 Q224 L229 I230 M231D223-Q227 WeakPolarHBondContact O-CB 3.32Å; D223-Q227 PolarHBondContact O-N 3.39Å; Q224-Q227 PolarHBondContact O-N 3.04Å; Q227-L229 VanDerWaalsContact C-N 3.33Å; Q227-L229 PolarHBondContact O-N 3.3Å; Q227-I230 PolarHBondContact O-N 3.03Å; Q227-M231 PolarHBondContact O-N 2.92Å
228R96.3Very high93.5Very high139 Ų139106.5 Ų106.553%0.52552%0.516SS..Hα-helixtrans-61.4-41.4174-77.7-169.9-176.6174.77.2111.9L220 Q224 Q225 K226 M231 I232L220-R228 VanDerWaalsContact CD1-NH1 3.32Å; L220-R228 HydrophobicContact CD2-CG 4.27Å; Q224-R228 WeakPolarHBondContact O-CB 3.12Å; Q224-R228 WeakPolarHBondContact O-CG 3.45Å; Q224-R228 PolarHBondContact O-N 3.49Å; Q225-R228 PolarHBondContact O-N 3.4Å; K226-R228 PolarHBondContact O-N 3.07Å; R228-M231 PolarHBondContact O-N 3.33Å; R228-I232 WeakPolarHBondContact O-CB 3.25Å; R228-I232 WeakPolarHBondContact O-CD1 3.32Å; R228-I232 WeakPolarHBondContact O-CG1 3.46Å; R228-I232 PolarHBondContact O-N 3.36Å
229L96.4Very high94.4Very high100 Ų100103.5 Ų103.552%0.52451%0.507SS..Hα-helixtrans-63.8-43.2178.8-172.169.5000111.7Q225 K226 Q227 I232 N233Q225-L229 WeakPolarHBondContact O-CB 3.2Å; Q225-L229 PolarHBondContact O-N 3.36Å; K226-L229 WeakPolarHBondContact O-CB 3.42Å; K226-L229 PolarHBondContact O-N 2.86Å; Q227-L229 VanDerWaalsContact C-N 3.33Å; Q227-L229 PolarHBondContact O-N 3.3Å; L229-I232 PolarHBondContact O-N 3.23Å; L229-N233 WeakPolarHBondContact O-CB 3.43Å; L229-N233 VanDerWaalsContact O-CG 3.31Å; L229-N233 PolarHBondContact O-N 2.84Å; L229-N233 PolarHBondContact O-ND2 3.45Å
230I97.3Very high95.1Very high97 Ų97106.8 Ų106.850%0.49751%0.511SS..Hα-helixtrans-59.2-50.1175.1-67.2165.5000110K226 Q227 I232 N233 E234K226-I230 HydrophobicContact CG-CD1 4.22Å; K226-I230 WeakPolarHBondContact O-CG1 3.35Å; K226-I230 PolarHBondContact O-N 3.45Å; Q227-I230 PolarHBondContact O-N 3.03Å; I230-I232 VanDerWaalsContact C-N 3.33Å; I230-I232 PolarHBondContact O-N 2.83Å; I230-N233 PolarHBondContact O-N 3.28Å; I230-N233 VanDerWaalsContact O-N 3.13Å; I230-E234 PolarHBondContact O-N 3.38Å
231M98.1Very high95.7Very high102 Ų102109.6 Ų109.650%0.50253%0.53SS..Hα-helixtrans-60.2-40.9178.1-175.2179.767.700112.3Q227 R228 N233 E234 L235Q227-M231 PolarHBondContact O-N 2.92Å; R228-M231 PolarHBondContact O-N 3.33Å; M231-N233 VanDerWaalsContact C-N 3.35Å; M231-N233 PolarHBondContact O-N 3.18Å; M231-E234 PolarHBondContact O-N 3.01Å; M231-L235 HydrophobicContact CG-CD1 4.09Å; M231-L235 WeakPolarHBondContact O-CB 3.3Å; M231-L235 VanDerWaalsContact O-CG 3.25Å; M231-L235 WeakPolarHBondContact O-CG 3.3Å; M231-L235 PolarHBondContact O-N 2.84Å
232I97.6Very high96.1Very high75 Ų75110.6 Ų110.639%0.38553%0.529SS..Hα-helixtrans-62.1-43.9175.6-72.9164.8000110.7R228 L229 I230 L235 K236R228-I232 WeakPolarHBondContact O-CB 3.25Å; R228-I232 WeakPolarHBondContact O-CD1 3.32Å; R228-I232 WeakPolarHBondContact O-CG1 3.46Å; R228-I232 PolarHBondContact O-N 3.36Å; L229-I232 PolarHBondContact O-N 3.23Å; I230-I232 VanDerWaalsContact C-N 3.33Å; I230-I232 PolarHBondContact O-N 2.83Å; I232-L235 PolarHBondContact O-N 2.89Å; I232-K236 HydrophobicContact CG2-CD 4.05Å; I232-K236 HydrophobicContact CG2-CG 4.47Å; I232-K236 WeakPolarHBondContact O-CB 3.25Å; I232-K236 VanDerWaalsContact O-CG 3.28Å; I232-K236 WeakPolarHBondContact O-CG 3.29Å; I232-K236 PolarHBondContact O-N 2.96Å
233N97.5Very high96.3Very high87 Ų87107 Ų10747%0.46552%0.515SS..Hα-helixtrans-66.8-40.2180-73.2-18.4000111.9L229 I230 M231 K236 A237L229-N233 WeakPolarHBondContact O-CB 3.43Å; L229-N233 VanDerWaalsContact O-CG 3.31Å; L229-N233 PolarHBondContact O-N 2.84Å; L229-N233 PolarHBondContact O-ND2 3.45Å; I230-N233 PolarHBondContact O-N 3.28Å; I230-N233 VanDerWaalsContact O-N 3.13Å; M231-N233 VanDerWaalsContact C-N 3.35Å; M231-N233 PolarHBondContact O-N 3.18Å; N233-K236 PolarHBondContact O-N 2.9Å; N233-A237 WeakPolarHBondContact O-CB 3.48Å; N233-A237 PolarHBondContact O-N 3.04Å
234E98Very high96.5Very high108 Ų108103.4 Ų103.451%0.50550%0.503SS..Hα-helixtrans-62-49.4174.3-170.6-175.2169.300111.3I230 M231 K236 A237 Q238I230-E234 PolarHBondContact O-N 3.38Å; M231-E234 PolarHBondContact O-N 3.01Å; E234-K236 VanDerWaalsContact C-N 3.32Å; E234-K236 PolarHBondContact O-N 3.35Å; E234-A237 WeakPolarHBondContact O-CB 3.49Å; E234-A237 PolarHBondContact O-N 2.95Å; E234-Q238 WeakPolarHBondContact O-CG 3.37Å; E234-Q238 PolarHBondContact O-N 3.43Å; E234-Q238 PolarHBondContact OE1-NE2 3.1Å
235L98.2Very high96.7Very high95 Ų95105.9 Ų105.950%0.49751%0.508SS..Hα-helixtrans-61.4-39.1177.2-71.8172.3000112.1M231 I232 A237 Q238 L239M231-L235 HydrophobicContact CG-CD1 4.09Å; M231-L235 WeakPolarHBondContact O-CB 3.3Å; M231-L235 VanDerWaalsContact O-CG 3.25Å; M231-L235 WeakPolarHBondContact O-CG 3.3Å; M231-L235 PolarHBondContact O-N 2.84Å; I232-L235 PolarHBondContact O-N 2.89Å; L235-A237 VanDerWaalsContact C-N 3.33Å; L235-Q238 PolarHBondContact O-N 3.41Å; L235-L239 VanDerWaalsContact O-CB 3.3Å; L235-L239 WeakPolarHBondContact O-CB 3.43Å; L235-L239 PolarHBondContact O-N 3.31Å
236K97.1Very high96.8Very high128 Ų128106.2 Ų106.256%0.55751%0.513SS*.Hα-helixtrans-63.7-38.1173.1-77.5176.7177.9179.80112I232 N233 E234 R240I232-K236 HydrophobicContact CG2-CD 4.05Å; I232-K236 HydrophobicContact CG2-CG 4.47Å; I232-K236 WeakPolarHBondContact O-CB 3.25Å; I232-K236 VanDerWaalsContact O-CG 3.28Å; I232-K236 WeakPolarHBondContact O-CG 3.29Å; I232-K236 PolarHBondContact O-N 2.96Å; N233-K236 PolarHBondContact O-N 2.9Å; E234-K236 VanDerWaalsContact C-N 3.32Å; E234-K236 PolarHBondContact O-N 3.35Å; K236-R240 WeakPolarHBondContact O-CG 3.24Å; K236-R240 PolarHBondContact O-N 2.93Å
237A96.5Very high96.8Very high39 Ų39104 Ų10432%0.32251%0.507SS..Hα-helixtrans-67.3-46.2175.900000111.5N233 E234 L235 L239 R240 V241N233-A237 WeakPolarHBondContact O-CB 3.48Å; N233-A237 PolarHBondContact O-N 3.04Å; E234-A237 WeakPolarHBondContact O-CB 3.49Å; E234-A237 PolarHBondContact O-N 2.95Å; L235-A237 VanDerWaalsContact C-N 3.33Å; A237-L239 VanDerWaalsContact C-N 3.34Å; A237-L239 PolarHBondContact O-N 2.88Å; A237-R240 PolarHBondContact O-N 3.01Å; A237-V241 PolarHBondContact O-N 3.05Å; A237-V241 VanDerWaalsContact O-N 3.15Å
238Q96.2Very high96.7Very high98 Ų98102.2 Ų102.246%0.45850%0.501SS..Hα-helixtrans-60.4-42.2175.5-68.6179.215.900111.8E234 L235 R240 V241 E242E234-Q238 WeakPolarHBondContact O-CG 3.37Å; E234-Q238 PolarHBondContact O-N 3.43Å; E234-Q238 PolarHBondContact OE1-NE2 3.1Å; L235-Q238 PolarHBondContact O-N 3.41Å; Q238-R240 VanDerWaalsContact C-N 3.33Å; Q238-R240 PolarHBondContact O-N 3.13Å; Q238-V241 PolarHBondContact O-N 2.76Å; Q238-V241 VanDerWaalsContact O-N 3.14Å; Q238-E242 PolarHBondContact O-N 3.36Å
239L97.8Very high96.6Very high100 Ų100100.8 Ų100.852%0.52450%0.501SS..Hα-helixtrans-57.5-45.4175.5-176.967.3000111.3L235 A237 V241 E242 E243L235-L239 VanDerWaalsContact O-CB 3.3Å; L235-L239 WeakPolarHBondContact O-CB 3.43Å; L235-L239 PolarHBondContact O-N 3.31Å; A237-L239 VanDerWaalsContact C-N 3.34Å; A237-L239 PolarHBondContact O-N 2.88Å; L239-V241 VanDerWaalsContact C-N 3.31Å; L239-V241 PolarHBondContact O-N 2.99Å; L239-E242 PolarHBondContact O-N 2.86Å; L239-E243 HydrophobicContact CD1-CG 4.43Å; L239-E243 HydrophobicContact CG-CG 4.37Å; L239-E243 WeakPolarHBondContact O-CB 3.24Å; L239-E243 VanDerWaalsContact O-CG 3.26Å; L239-E243 WeakPolarHBondContact O-CG 3.31Å; L239-E243 PolarHBondContact O-N 2.81Å
240R96.5Very high96.5Very high174 Ų174102.8 Ų102.866%0.65751%0.506SS*.Hα-helixtrans-61.4-37.7176.9-72.7-171.5-65.9167.8-0112.7K236 A237 Q238 A244K236-R240 WeakPolarHBondContact O-CG 3.24Å; K236-R240 PolarHBondContact O-N 2.93Å; A237-R240 PolarHBondContact O-N 3.01Å; Q238-R240 VanDerWaalsContact C-N 3.33Å; Q238-R240 PolarHBondContact O-N 3.13Å; R240-A244 WeakPolarHBondContact O-CB 3.28Å; R240-A244 PolarHBondContact O-N 2.82Å
241V96.8Very high96.1Very high97 Ų97103.6 Ų103.659%0.58851%0.505SS*.Hα-helixtrans-66.7-45.4176.8174.20000110.9A237 Q238 L239 A244 R245A237-V241 PolarHBondContact O-N 3.05Å; A237-V241 VanDerWaalsContact O-N 3.15Å; Q238-V241 PolarHBondContact O-N 2.76Å; Q238-V241 VanDerWaalsContact O-N 3.14Å; L239-V241 VanDerWaalsContact C-N 3.31Å; L239-V241 PolarHBondContact O-N 2.99Å; V241-A244 PolarHBondContact O-N 2.6Å; V241-R245 WeakPolarHBondContact O-CB 3.42Å; V241-R245 PolarHBondContact O-N 3.28Å
242E97.1Very high95.8Very high100 Ų100103.6 Ų103.647%0.46751%0.505SS..Hα-helixtrans-68.2-37.3178.3-76.1-61.1141.900112.4Q238 L239 R245 L246Q238-E242 PolarHBondContact O-N 3.36Å; L239-E242 PolarHBondContact O-N 2.86Å; E242-R245 PolarHBondContact O-N 3.1Å; E242-R245 IonicContact OE1-NH1 3.63Å; E242-R245 PolarHBondContact OE1-NH1 2.98Å; E242-L246 WeakPolarHBondContact O-CB 3.45Å; E242-L246 PolarHBondContact O-N 2.85Å
243E96.2Very high95.4Very high102 Ų102107.9 Ų107.948%0.47752%0.517SS..Hα-helixtrans-60.8-46.3171.3-75.1175.6160.800111.4L239 R245 L246 I247L239-E243 HydrophobicContact CD1-CG 4.43Å; L239-E243 HydrophobicContact CG-CG 4.37Å; L239-E243 WeakPolarHBondContact O-CB 3.24Å; L239-E243 VanDerWaalsContact O-CG 3.26Å; L239-E243 WeakPolarHBondContact O-CG 3.31Å; L239-E243 PolarHBondContact O-N 2.81Å; E243-R245 VanDerWaalsContact C-N 3.35Å; E243-R245 PolarHBondContact O-N 3.5Å; E243-L246 PolarHBondContact O-N 3.33Å; E243-I247 WeakPolarHBondContact O-CD1 3.48Å; E243-I247 VanDerWaalsContact O-CG1 3.26Å; E243-I247 WeakPolarHBondContact O-CG1 3.43Å; E243-I247 PolarHBondContact O-N 3.05Å
244A95.5Very high94.8Very high48 Ų48107.7 Ų107.740%0.39752%0.515SS..Hα-helixtrans-61.4-43.1175.800000111.8R240 V241 I247 I248R240-A244 WeakPolarHBondContact O-CB 3.28Å; R240-A244 PolarHBondContact O-N 2.82Å; V241-A244 PolarHBondContact O-N 2.6Å; A244-I247 PolarHBondContact O-N 2.94Å; A244-I248 WeakPolarHBondContact O-CG1 3.37Å; A244-I248 PolarHBondContact O-N 2.82Å; A244-I248 VanDerWaalsContact O-N 3.07Å
245R96Very high94.2Very high144 Ų144105.9 Ų105.954%0.54352%0.515SS..Hα-helixtrans-61-45.2176-173.7-176.7-174.3169.74.6111.8V241 E242 E243 I247 I248 M249V241-R245 WeakPolarHBondContact O-CB 3.42Å; V241-R245 PolarHBondContact O-N 3.28Å; E242-R245 PolarHBondContact O-N 3.1Å; E242-R245 IonicContact OE1-NH1 3.63Å; E242-R245 PolarHBondContact OE1-NH1 2.98Å; E243-R245 VanDerWaalsContact C-N 3.35Å; E243-R245 PolarHBondContact O-N 3.5Å; R245-I247 VanDerWaalsContact C-N 3.32Å; R245-I247 PolarHBondContact O-N 3.42Å; R245-I248 PolarHBondContact O-N 3.03Å; R245-M249 HydrophobicContact CG-SD 4.36Å; R245-M249 WeakPolarHBondContact O-CG 3.24Å; R245-M249 PolarHBondContact O-N 2.96Å
246L96Very high93.5Very high117 Ų117108.2 Ų108.261%0.61352%0.523SS*.Hα-helixtrans-63.1-39.7178.6-174.863.7000111.5E242 E243 M249 K250E242-L246 WeakPolarHBondContact O-CB 3.45Å; E242-L246 PolarHBondContact O-N 2.85Å; E243-L246 PolarHBondContact O-N 3.33Å; L246-M249 PolarHBondContact O-N 3.45Å; L246-K250 VanDerWaalsContact O-CB 3.3Å; L246-K250 WeakPolarHBondContact O-CB 3.4Å; L246-K250 PolarHBondContact O-N 2.79Å
247I95.6Very high92.7Very high95 Ų95107.9 Ų107.949%0.48752%0.523SS..Hα-helixtrans-60.3-46.3174.7-69.4163.8000110.5E243 A244 R245 K250 K251E243-I247 WeakPolarHBondContact O-CD1 3.48Å; E243-I247 VanDerWaalsContact O-CG1 3.26Å; E243-I247 WeakPolarHBondContact O-CG1 3.43Å; E243-I247 PolarHBondContact O-N 3.05Å; A244-I247 PolarHBondContact O-N 2.94Å; R245-I247 VanDerWaalsContact C-N 3.32Å; R245-I247 PolarHBondContact O-N 3.42Å; I247-K250 PolarHBondContact O-N 3.35Å; I247-K251 HydrophobicContact CG2-CD 4.29Å; I247-K251 WeakPolarHBondContact O-CG 3.4Å; I247-K251 PolarHBondContact O-N 2.72Å
248I94.1Very high91.4Very high102 Ų102108.4 Ų108.452%0.52352%0.52SS..Hα-helixtrans-62-47.3178-66166000110.5A244 R245 K250 K251 M252A244-I248 WeakPolarHBondContact O-CG1 3.37Å; A244-I248 PolarHBondContact O-N 2.82Å; A244-I248 VanDerWaalsContact O-N 3.07Å; R245-I248 PolarHBondContact O-N 3.03Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 3.47Å; I248-K251 WeakPolarHBondContact O-CB 3.5Å; I248-K251 PolarHBondContact O-N 2.86Å; I248-M252 HydrophobicContact CG2-CG 4.44Å; I248-M252 HydrophobicContact CG2-SD 4.21Å; I248-M252 WeakPolarHBondContact O-CG 3.33Å; I248-M252 PolarHBondContact O-N 3.36Å
249M93.8Very high89.7Confident108 Ų108107.2 Ų107.253%0.53252%0.521SS..Hα-helixtrans-61.7-41.1178.1-72.6-178.964.400112.3R245 L246 K251 M252 R253R245-M249 HydrophobicContact CG-SD 4.36Å; R245-M249 WeakPolarHBondContact O-CG 3.24Å; R245-M249 PolarHBondContact O-N 2.96Å; L246-M249 PolarHBondContact O-N 3.45Å; M249-K251 VanDerWaalsContact C-N 3.34Å; M249-M252 PolarHBondContact O-N 3.38Å; M249-R253 WeakPolarHBondContact O-CB 3.18Å; M249-R253 PolarHBondContact O-N 2.85Å
250K93.9Very high88Confident143 Ų143108.2 Ų108.262%0.62253%0.531SS*.Hα-helixtrans-62.4-42.9175.3-173176-178.9178.50110.9L246 I247 I248 R253 L254L246-K250 VanDerWaalsContact O-CB 3.3Å; L246-K250 WeakPolarHBondContact O-CB 3.4Å; L246-K250 PolarHBondContact O-N 2.79Å; I247-K250 PolarHBondContact O-N 3.35Å; I248-K250 VanDerWaalsContact C-N 3.34Å; I248-K250 PolarHBondContact O-N 3.47Å; K250-R253 PolarHBondContact O-N 3.09Å; K250-L254 HydrophobicContact CG-CD1 4.34Å; K250-L254 WeakPolarHBondContact O-CG 3.35Å; K250-L254 PolarHBondContact O-N 3.35Å
251K90Very high86.3Confident114 Ų114104.3 Ų104.350%0.49653%0.53SS..Hα-helixtrans-62.9-45.3175.1-74.2-179.5178.2-1740112I247 I248 M249 R253 L254 S255I247-K251 HydrophobicContact CG2-CD 4.29Å; I247-K251 WeakPolarHBondContact O-CG 3.4Å; I247-K251 PolarHBondContact O-N 2.72Å; I248-K251 WeakPolarHBondContact O-CB 3.5Å; I248-K251 PolarHBondContact O-N 2.86Å; M249-K251 VanDerWaalsContact C-N 3.34Å; K251-R253 VanDerWaalsContact C-N 3.3Å; K251-R253 PolarHBondContact O-N 2.84Å; K251-L254 PolarHBondContact O-N 2.87Å; K251-S255 PolarHBondContact O-N 3.32Å; K251-S255 PolarHBondContact O-OG 2.74Å
252M91.2Very high84.4Confident101 Ų101103.5 Ų103.550%0.49852%0.522SS..Hα-helixtrans-60.4-39.8175.5-72.917964.900112.2I248 M249 S255 Q256I248-M252 HydrophobicContact CG2-CG 4.44Å; I248-M252 HydrophobicContact CG2-SD 4.21Å; I248-M252 WeakPolarHBondContact O-CG 3.33Å; I248-M252 PolarHBondContact O-N 3.36Å; M249-M252 PolarHBondContact O-N 3.38Å; M252-S255 PolarHBondContact O-OG 3.49Å; M252-Q256 WeakPolarHBondContact O-CB 3.35Å; M252-Q256 WeakPolarHBondContact O-CG 3.17Å; M252-Q256 PolarHBondContact O-N 2.93Å; M252-Q256 VanDerWaalsContact O-N 3.12Å
253R89.6Confident82.3Confident166 Ų16699.6 Ų99.663%0.62651%0.507SS*.Hα-helixtrans-67.8-42.1176.9-174.7176.4177.9168.31.9111.7M249 K250 K251 Q256 Q257M249-R253 WeakPolarHBondContact O-CB 3.18Å; M249-R253 PolarHBondContact O-N 2.85Å; K250-R253 PolarHBondContact O-N 3.09Å; K251-R253 VanDerWaalsContact C-N 3.3Å; K251-R253 PolarHBondContact O-N 2.84Å; R253-Q256 PolarHBondContact O-N 2.79Å; R253-Q257 HydrophobicContact CG-CG 4.46Å; R253-Q257 WeakPolarHBondContact O-CB 3.45Å; R253-Q257 WeakPolarHBondContact O-CG 3.31Å; R253-Q257 PolarHBondContact O-N 3.37Å
254L85.2Confident80.5Confident83 Ų8399.1 Ų99.144%0.43551%0.508SS..Hα-helixtrans-65.8-41.5177.2-71173.2000111.6K250 K251 Q256 Q257 L258K250-L254 HydrophobicContact CG-CD1 4.34Å; K250-L254 WeakPolarHBondContact O-CG 3.35Å; K250-L254 PolarHBondContact O-N 3.35Å; K251-L254 PolarHBondContact O-N 2.87Å; L254-Q256 PolarHBondContact O-N 2.9Å; L254-Q257 PolarHBondContact O-N 3.48Å; L254-L258 WeakPolarHBondContact O-CB 3.31Å; L254-L258 WeakPolarHBondContact O-CD1 3.48Å; L254-L258 WeakPolarHBondContact O-CG 3.49Å; L254-L258 PolarHBondContact O-N 2.74Å
255S85.3Confident78.7Confident70 Ų70101.2 Ų101.249%0.4952%0.515SS..Hα-helixtrans-65.1-28.917666.80000112.9K251 M252K251-S255 PolarHBondContact O-N 3.32Å; K251-S255 PolarHBondContact O-OG 2.74Å; M252-S255 PolarHBondContact O-OG 3.49Å
256Q84.1Confident76.9Confident144 Ų14497.8 Ų97.867%0.67351%0.51SS*.Hα-helixtrans-78.2-30.9173.6-71.4170.721.600113.6M252 R253 L254M252-Q256 WeakPolarHBondContact O-CB 3.35Å; M252-Q256 WeakPolarHBondContact O-CG 3.17Å; M252-Q256 PolarHBondContact O-N 2.93Å; M252-Q256 VanDerWaalsContact O-N 3.12Å; R253-Q256 PolarHBondContact O-N 2.79Å; L254-Q256 PolarHBondContact O-N 2.9Å
257Q80.2Confident75.1Confident120 Ų12097.7 Ų97.756%0.56151%0.51SS*.Hα-helixtrans-84.7-26.2-179.5-74.2-178.6-10.100113.1R253 L254R253-Q257 HydrophobicContact CG-CG 4.46Å; R253-Q257 WeakPolarHBondContact O-CB 3.45Å; R253-Q257 WeakPolarHBondContact O-CG 3.31Å; R253-Q257 PolarHBondContact O-N 3.37Å; L254-Q257 PolarHBondContact O-N 3.48Å
258L68.9Low73.3Confident50 Ų5099.9 Ų99.926%0.26252%0.52SS..SBendtrans-73.5127.6176.9-71.3166.4000109.1L254 V260 I262 A263 V266L254-L258 WeakPolarHBondContact O-CB 3.31Å; L254-L258 WeakPolarHBondContact O-CD1 3.48Å; L254-L258 WeakPolarHBondContact O-CG 3.49Å; L254-L258 PolarHBondContact O-N 2.74Å; L258-V260 PolarHBondContact O-N 2.69Å; L258-I262 HydrophobicContact CD2-CB 4.06Å; L258-I262 HydrophobicContact CD2-CG2 3.75Å; L258-A263 HydrophobicContact CB-CB 4.12Å; L258-A263 HydrophobicContact CD1-CB 4.48Å; L258-V266 HydrophobicContact CD1-CG2 4.2Å
259P60.5Low71.7Confident74 Ų7498.9 Ų98.948%0.48152%0.516SS..  trans-57142.6164.824.6-30.1000108.2S261 I262 A263P259-S261 PolarHBondContact O-N 3.35Å; P259-I262 HydrophobicContact CG-CD1 3.74Å; P259-I262 HydrophobicContact CG-CG1 4.07Å; P259-I262 PolarHBondContact O-N 2.85Å; P259-A263 PolarHBondContact O-N 2.84Å
260V62.6Low69.9Low121 Ų121100.9 Ų100.973%0.73352%0.517SS*.Hα-helixtrans-45.7-32.5-173.5178.70000112.5L258 I262L258-V260 PolarHBondContact O-N 2.69Å; V260-I262 VanDerWaalsContact C-N 3.34Å; V260-I262 PolarHBondContact O-N 3.4Å
261S59.8Low68.1Low91 Ų9195.6 Ų95.664%0.63650%0.504SS*.Hα-helixtrans-67.2-20177.8580000116.6P259P259-S261 PolarHBondContact O-N 3.35Å
262I58Low66.7Low81 Ų8195.9 Ų95.942%0.41551%0.506SS..Hα-helixtrans-105.7-27-178.4-52.7175.2000111.4L258 P259 V260 D264 V265 V266L258-I262 HydrophobicContact CD2-CB 4.06Å; L258-I262 HydrophobicContact CD2-CG2 3.75Å; P259-I262 HydrophobicContact CG-CD1 3.74Å; P259-I262 HydrophobicContact CG-CG1 4.07Å; P259-I262 PolarHBondContact O-N 2.85Å; V260-I262 VanDerWaalsContact C-N 3.34Å; V260-I262 PolarHBondContact O-N 3.4Å; I262-D264 VanDerWaalsContact C-N 3.26Å; I262-D264 PolarHBondContact O-N 3.31Å; I262-V265 PolarHBondContact O-N 2.84Å; I262-V266 PolarHBondContact O-N 3.25Å
263A52.8Low65.3Low17 Ų1797.1 Ų97.114%0.1451%0.509CS..Hα-helixtrans-60.2-37.3177.500000112.2L258 P259 V265 V266 N267L258-A263 HydrophobicContact CB-CB 4.12Å; L258-A263 HydrophobicContact CD1-CB 4.48Å; P259-A263 PolarHBondContact O-N 2.84Å; A263-V265 PolarHBondContact O-N 3.27Å; A263-V266 PolarHBondContact O-N 2.88Å; A263-N267 PolarHBondContact O-N 3.01Å; A263-N267 VanDerWaalsContact O-N 3.07Å
264D57Low64.1Low93 Ų9392 Ų9250%0.49750%0.496SS..Hα-helixtrans-63.9-40.2176.5-64.2-23.4000111.7I262 V266 N267 M268I262-D264 VanDerWaalsContact C-N 3.26Å; I262-D264 PolarHBondContact O-N 3.31Å; D264-V266 PolarHBondContact O-N 3.49Å; D264-N267 PolarHBondContact O-N 3.4Å; D264-M268 WeakPolarHBondContact O-CB 3.3Å; D264-M268 VanDerWaalsContact O-CG 3.24Å; D264-M268 WeakPolarHBondContact O-CG 3.19Å; D264-M268 PolarHBondContact O-N 3.47Å
265V58.6Low63.2Low91 Ų9195.3 Ų95.355%0.55251%0.507SS*.Hα-helixtrans-66.1-38.8179.3-177.20000111.8I262 A263 N269I262-V265 PolarHBondContact O-N 2.84Å; A263-V265 PolarHBondContact O-N 3.27Å; V265-N269 VanDerWaalsContact O-CB 3.3Å; V265-N269 WeakPolarHBondContact O-CB 3.34Å; V265-N269 PolarHBondContact O-N 3.44Å
266V58.5Low62Low72 Ų7296.7 Ų96.744%0.43651%0.509SS..Hα-helixtrans-70.2-40.6177.2178.30000111.3L258 I262 A263 D264 W270L258-V266 HydrophobicContact CD1-CG2 4.2Å; I262-V266 PolarHBondContact O-N 3.25Å; A263-V266 PolarHBondContact O-N 2.88Å; D264-V266 PolarHBondContact O-N 3.49Å; V266-W270 WeakPolarHBondContact O-CB 3.42Å; V266-W270 PolarHBondContact O-N 2.87Å
267N57.9Low60.7Low116 Ų11692.2 Ų92.262%0.6250%0.496SS*.Hα-helixtrans-67.5-40.4175.9-85.8-22.5000112.3A263 D264 W270 G271A263-N267 PolarHBondContact O-N 3.01Å; A263-N267 VanDerWaalsContact O-N 3.07Å; D264-N267 PolarHBondContact O-N 3.4Å; N267-W270 PolarHBondContact O-N 3Å; N267-G271 PolarHBondContact O-N 3.38Å
268M56.8Low59.5Low140 Ų14091.5 Ų91.569%0.6950%0.496SS*.Hα-helixtrans-63.8-46.9175.3-72.2-175.390.200111.1D264 W270 G271 E272D264-M268 WeakPolarHBondContact O-CB 3.3Å; D264-M268 VanDerWaalsContact O-CG 3.24Å; D264-M268 WeakPolarHBondContact O-CG 3.19Å; D264-M268 PolarHBondContact O-N 3.47Å; M268-W270 VanDerWaalsContact C-N 3.31Å; M268-W270 PolarHBondContact O-N 3.18Å; M268-G271 PolarHBondContact O-N 3.19Å; M268-E272 WeakPolarHBondContact O-CB 3.14Å; M268-E272 PolarHBondContact O-N 3.42Å
269N61.6Low58.9Low81 Ų8192.4 Ų92.443%0.43351%0.506SS..Hα-helixtrans-66.1-32.8180-162.3-8.3000112.2V265 K273V265-N269 VanDerWaalsContact O-CB 3.3Å; V265-N269 WeakPolarHBondContact O-CB 3.34Å; V265-N269 PolarHBondContact O-N 3.44Å; N269-K273 VanDerWaalsContact O-CB 3.31Å; N269-K273 WeakPolarHBondContact O-CB 3.34Å; N269-K273 VanDerWaalsContact O-CG 3.24Å; N269-K273 WeakPolarHBondContact O-CG 3.18Å; N269-K273 PolarHBondContact O-N 3.48Å; N269-K273 WeakPolarHBondContact OD1-CE 3.49Å
270W54.8Low58.6Low151 Ų15194.6 Ų94.657%0.57251%0.513SS*.Hα-helixtrans-73.6-44.7173.1-115.787.7000112.9V266 N267 M268 E272 K273 V274V266-W270 WeakPolarHBondContact O-CB 3.42Å; V266-W270 PolarHBondContact O-N 2.87Å; N267-W270 PolarHBondContact O-N 3Å; M268-W270 VanDerWaalsContact C-N 3.31Å; M268-W270 PolarHBondContact O-N 3.18Å; W270-E272 PolarHBondContact O-N 3.03Å; W270-K273 PolarHBondContact O-N 3.3Å; W270-V274 HydrophobicContact CE3-CG2 3.55Å; W270-V274 HydrophobicContact CZ3-CG2 3.7Å; W270-V274 WeakPolarHBondContact O-CB 3.36Å; W270-V274 VanDerWaalsContact O-CG2 3.3Å; W270-V274 WeakPolarHBondContact O-CG2 3.42Å; W270-V274 PolarHBondContact O-N 3.47Å
271G57Low57.8Low32 Ų3294.1 Ų94.133%0.3351%0.506SS..Hα-helixtrans-60-37.6175.300000111.8N267 M268 K275N267-G271 PolarHBondContact O-N 3.38Å; M268-G271 PolarHBondContact O-N 3.19Å; G271-K275 WeakPolarHBondContact O-CB 3.48Å; G271-K275 WeakPolarHBondContact O-CG 3.38Å; G271-K275 PolarHBondContact O-N 3.2Å
272E60.8Low57.2Low119 Ų11992.4 Ų92.456%0.55649%0.494SS*.Hα-helixtrans-73.5-39.4176.4-154.3165.5-148.900112.1M268 W270 K275 N276M268-E272 WeakPolarHBondContact O-CB 3.14Å; M268-E272 PolarHBondContact O-N 3.42Å; W270-E272 PolarHBondContact O-N 3.03Å; E272-K275 PolarHBondContact O-N 3.26Å; E272-N276 WeakPolarHBondContact O-CB 3.5Å; E272-N276 PolarHBondContact O-N 3.48Å
273K62Low56.7Low128 Ų12893.1 Ų93.156%0.55750%0.503SS*.Hα-helixtrans-63.3-40.3170.5-80.4177.1-178.5-1760112.9N269 W270 N276 A277N269-K273 VanDerWaalsContact O-CB 3.31Å; N269-K273 WeakPolarHBondContact O-CB 3.34Å; N269-K273 VanDerWaalsContact O-CG 3.24Å; N269-K273 WeakPolarHBondContact O-CG 3.18Å; N269-K273 PolarHBondContact O-N 3.48Å; N269-K273 WeakPolarHBondContact OD1-CE 3.49Å; W270-K273 PolarHBondContact O-N 3.3Å; K273-N276 PolarHBondContact O-N 2.63Å; K273-A277 VanDerWaalsContact O-CB 3.28Å; K273-A277 WeakPolarHBondContact O-CB 3.26Å; K273-A277 PolarHBondContact O-N 2.91Å
274V63.4Low56Low58 Ų5896.4 Ų96.435%0.35252%0.524SS..Hα-helixtrans-67.7-42.8175.2171.20000110.2W270 N276 A277 I278W270-V274 HydrophobicContact CE3-CG2 3.55Å; W270-V274 HydrophobicContact CZ3-CG2 3.7Å; W270-V274 WeakPolarHBondContact O-CB 3.36Å; W270-V274 VanDerWaalsContact O-CG2 3.3Å; W270-V274 WeakPolarHBondContact O-CG2 3.42Å; W270-V274 PolarHBondContact O-N 3.47Å; V274-N276 PolarHBondContact O-N 3.29Å; V274-A277 PolarHBondContact O-N 2.87Å; V274-I278 HydrophobicContact CG1-CD1 3.52Å; V274-I278 HydrophobicContact CG1-CG1 4.21Å; V274-I278 VanDerWaalsContact O-CB 3.31Å; V274-I278 WeakPolarHBondContact O-CB 3.09Å; V274-I278 WeakPolarHBondContact O-CG1 3.45Å; V274-I278 PolarHBondContact O-N 3.1Å
275K66.4Low55.1Low153 Ų15398.7 Ų98.767%0.66553%0.529SS*.Hα-helixtrans-61.5-40.7173.1-76171.8-175.6-177.70112.2G271 E272 I278 S279G271-K275 WeakPolarHBondContact O-CB 3.48Å; G271-K275 WeakPolarHBondContact O-CG 3.38Å; G271-K275 PolarHBondContact O-N 3.2Å; E272-K275 PolarHBondContact O-N 3.26Å; K275-I278 PolarHBondContact O-N 2.85Å; K275-S279 WeakPolarHBondContact O-CA 3.44Å; K275-S279 WeakPolarHBondContact O-CB 3.36Å; K275-S279 PolarHBondContact O-N 3.06Å
276N61.1Low54.5Low98 Ų9899.1 Ų99.152%0.52453%0.532SS..Hα-helixtrans-68.5-41.3176.2-77.7-8.8000111.8E272 K273 V274 S279 L280E272-N276 WeakPolarHBondContact O-CB 3.5Å; E272-N276 PolarHBondContact O-N 3.48Å; K273-N276 PolarHBondContact O-N 2.63Å; V274-N276 PolarHBondContact O-N 3.29Å; N276-S279 PolarHBondContact O-N 3.39Å; N276-L280 WeakPolarHBondContact O-CB 3.49Å; N276-L280 WeakPolarHBondContact O-CD1 3.41Å; N276-L280 WeakPolarHBondContact O-CG 3.2Å; N276-L280 PolarHBondContact O-N 3.22Å
277A55.4Low53.6Low50 Ų50100.6 Ų100.641%0.41354%0.544SS..Hα-helixtrans-66.5-39.4175.100000112.1K273 V274 N281K273-A277 VanDerWaalsContact O-CB 3.28Å; K273-A277 WeakPolarHBondContact O-CB 3.26Å; K273-A277 PolarHBondContact O-N 2.91Å; V274-A277 PolarHBondContact O-N 2.87Å; A277-N281 VanDerWaalsContact O-CB 3.3Å; A277-N281 WeakPolarHBondContact O-CB 3.21Å; A277-N281 PolarHBondContact O-N 3.17Å
278I55.6Low52.8Low106 Ų10698.7 Ų98.754%0.54454%0.54SS..Hα-helixtrans-69.7-37173.5-67.1169.2000110.5V274 K275 N281 S282V274-I278 HydrophobicContact CG1-CD1 3.52Å; V274-I278 HydrophobicContact CG1-CG1 4.21Å; V274-I278 VanDerWaalsContact O-CB 3.31Å; V274-I278 WeakPolarHBondContact O-CB 3.09Å; V274-I278 WeakPolarHBondContact O-CG1 3.45Å; V274-I278 PolarHBondContact O-N 3.1Å; K275-I278 PolarHBondContact O-N 2.85Å; I278-N281 CarbonylContact O-C 3.51Å; I278-N281 PolarHBondContact O-N 2.95Å; I278-S282 WeakPolarHBondContact O-CA 3.29Å; I278-S282 VanDerWaalsContact O-CB 3.26Å; I278-S282 WeakPolarHBondContact O-CB 3.08Å; I278-S282 PolarHBondContact O-N 3.12Å
279S57.3Low52.5Low68 Ų6894.7 Ų94.748%0.47652%0.524SS..Hα-helixtrans-64.4-47176.9177.20000111K275 N276 N281 S282 T283K275-S279 WeakPolarHBondContact O-CA 3.44Å; K275-S279 WeakPolarHBondContact O-CB 3.36Å; K275-S279 PolarHBondContact O-N 3.06Å; N276-S279 PolarHBondContact O-N 3.39Å; S279-N281 VanDerWaalsContact C-N 3.34Å; S279-N281 PolarHBondContact O-N 3.18Å; S279-S282 PolarHBondContact O-N 2.95Å; S279-S282 VanDerWaalsContact O-N 3.12Å; S279-S282 PolarHBondContact O-OG 3.33Å; S279-T283 PolarHBondContact O-N 3.01Å; S279-T283 PolarHBondContact O-OG1 2.92Å
280L52.6Low51.9Low121 Ų12196.3 Ų96.363%0.63454%0.536SS*.Hα-helixtrans-62.4-39.7174.5-75.9159000111.7N276 T283N276-L280 WeakPolarHBondContact O-CB 3.49Å; N276-L280 WeakPolarHBondContact O-CD1 3.41Å; N276-L280 WeakPolarHBondContact O-CG 3.2Å; N276-L280 PolarHBondContact O-N 3.22Å; L280-T283 PolarHBondContact O-OG1 3.47Å
281N46.2Very low51.8Low111 Ų11195 Ų9559%0.59454%0.544SS*.Hα-helixtrans-74-26.6173.9-77.3-14.6000112.7A277 I278 S279 T283 C284 F285A277-N281 VanDerWaalsContact O-CB 3.3Å; A277-N281 WeakPolarHBondContact O-CB 3.21Å; A277-N281 PolarHBondContact O-N 3.17Å; I278-N281 CarbonylContact O-C 3.51Å; I278-N281 PolarHBondContact O-N 2.95Å; S279-N281 VanDerWaalsContact C-N 3.34Å; S279-N281 PolarHBondContact O-N 3.18Å; N281-T283 VanDerWaalsContact C-N 3.34Å; N281-C284 CarbonylContact O-C 3.55Å; N281-C284 WeakPolarHBondContact O-CA 3.45Å; N281-C284 WeakPolarHBondContact O-CB 3.43Å; N281-C284 PolarHBondContact O-N 3.03Å; N281-C284 VanDerWaalsContact O-N 3.09Å; N281-F285 VanDerWaalsContact O-CB 3.31Å; N281-F285 WeakPolarHBondContact O-CB 3.41Å; N281-F285 PolarHBondContact O-N 3.11Å
282S47.8Very low51.3Low54 Ų5496.2 Ų96.238%0.37855%0.548SS..Hα-helixtrans-70.1-33.3177.484.10000111.2I278 S279 C284 F285 V286I278-S282 WeakPolarHBondContact O-CA 3.29Å; I278-S282 VanDerWaalsContact O-CB 3.26Å; I278-S282 WeakPolarHBondContact O-CB 3.08Å; I278-S282 PolarHBondContact O-N 3.12Å; S279-S282 PolarHBondContact O-N 2.95Å; S279-S282 VanDerWaalsContact O-N 3.12Å; S279-S282 PolarHBondContact O-OG 3.33Å; S282-C284 PolarHBondContact O-N 3.5Å; S282-F285 PolarHBondContact O-N 3.49Å; S282-V286 WeakPolarHBondContact O-CG2 3.31Å; S282-V286 PolarHBondContact O-N 3.47Å
283T47.3Very low50.4Low97 Ų9791.5 Ų91.560%0.59553%0.532SS*.Hα-helixtrans-63.2-29.4169.224.80000112.6S279 L280 N281S279-T283 PolarHBondContact O-N 3.01Å; S279-T283 PolarHBondContact O-OG1 2.92Å; L280-T283 PolarHBondContact O-OG1 3.47Å; N281-T283 VanDerWaalsContact C-N 3.34Å
284C38.4Very low49.9Very low86 Ų8692.2 Ų92.258%0.58154%0.541SS*.Hα-helixtrans-83.3-33.3171.1-62.40000112.7N281 S282 C287 S288N281-C284 CarbonylContact O-C 3.55Å; N281-C284 WeakPolarHBondContact O-CA 3.45Å; N281-C284 WeakPolarHBondContact O-CB 3.43Å; N281-C284 PolarHBondContact O-N 3.03Å; N281-C284 VanDerWaalsContact O-N 3.09Å; S282-C284 PolarHBondContact O-N 3.5Å; C284-C287 PolarHBondContact O-N 3.37Å; C284-S288 PolarHBondContact O-N 3.31Å
285F38.2Very low48.9Very low141 Ų14197.5 Ų97.562%0.61856%0.559SS**Hα-helixtrans-73-32.7-176.9-154.3-101.7000111.8N281 S282 C287 S288 T289N281-F285 VanDerWaalsContact O-CB 3.31Å; N281-F285 WeakPolarHBondContact O-CB 3.41Å; N281-F285 PolarHBondContact O-N 3.11Å; S282-F285 PolarHBondContact O-N 3.49Å; F285-C287 PolarHBondContact O-N 2.9Å; F285-S288 PolarHBondContact O-N 3.34Å; F285-S288 VanDerWaalsContact O-N 3.1Å; F285-T289 WeakPolarHBondContact CD1-OG1 3.07Å; F285-T289 VanDerWaalsContact CE1-OG1 3.29Å; F285-T289 WeakPolarHBondContact CE1-OG1 3.44Å; F285-T289 WeakPolarHBondContact O-CB 3.26Å; F285-T289 PolarHBondContact O-N 3.06Å; F285-T289 PolarHBondContact O-OG1 3.08Å
286V45.1Very low48.1Very low99 Ų9994 Ų9460%0.655%0.551SS**Hα-helixtrans-62.5-29.2173.5175.10000111.3S282S282-V286 WeakPolarHBondContact O-CG2 3.31Å; S282-V286 PolarHBondContact O-N 3.47Å
287C40.6Very low47.7Very low103 Ų10394.5 Ų94.570%0.69655%0.552SS**Hα-helixtrans-73-34.7172.3-78.30000113.4C284 F285C284-C287 PolarHBondContact O-N 3.37Å; F285-C287 PolarHBondContact O-N 2.9Å
288S41.4Very low47.4Very low77 Ų7796.7 Ų96.754%0.53856%0.561SS.*Hα-helixtrans-81.3-30.3177.5-780000114C284 F285 V290 V291 S292C284-S288 PolarHBondContact O-N 3.31Å; F285-S288 PolarHBondContact O-N 3.34Å; F285-S288 VanDerWaalsContact O-N 3.1Å; S288-V290 VanDerWaalsContact C-N 3.35Å; S288-V290 PolarHBondContact O-N 3.45Å; S288-V291 PolarHBondContact O-N 2.86Å; S288-S292 PolarHBondContact O-N 3.13Å; S288-S292 PolarHBondContact O-OG 3.4Å
289T48.9Very low47.1Very low56 Ų5695.7 Ų95.734%0.34456%0.559SS.*Hα-helixtrans-75.4-21.8-171.9-42.40000113.3F285 V291 S292 G293F285-T289 WeakPolarHBondContact CD1-OG1 3.07Å; F285-T289 VanDerWaalsContact CE1-OG1 3.29Å; F285-T289 WeakPolarHBondContact CE1-OG1 3.44Å; F285-T289 WeakPolarHBondContact O-CB 3.26Å; F285-T289 PolarHBondContact O-N 3.06Å; F285-T289 PolarHBondContact O-OG1 3.08Å; T289-V291 PolarHBondContact O-N 3.46Å; T289-S292 PolarHBondContact O-N 3.09Å; T289-G293 PolarHBondContact O-N 3.31Å
290V50.6Low46.6Very low114 Ų11499.8 Ų99.869%0.69157%0.569SS**Hα-helixtrans-66.2-28.7172.7-179.40000111S288S288-V290 VanDerWaalsContact C-N 3.35Å; S288-V290 PolarHBondContact O-N 3.45Å
291V51.1Low46.2Very low123 Ų12399.4 Ų99.475%0.74557%0.568SS**Hα-helixtrans-85.3-31.7-179.7-1750000112S288 T289S288-V291 PolarHBondContact O-N 2.86Å; T289-V291 PolarHBondContact O-N 3.46Å
292S48.1Very low46.6Very low58 Ų5898.3 Ų98.341%0.40657%0.565SS.*Hα-helixtrans-94-19.2-179.856.60000115S288 T289 L294 F295 T296S288-S292 PolarHBondContact O-N 3.13Å; S288-S292 PolarHBondContact O-OG 3.4Å; T289-S292 PolarHBondContact O-N 3.09Å; S292-L294 PolarHBondContact O-N 3.5Å; S292-F295 PolarHBondContact O-N 3.43Å; S292-T296 PolarHBondContact O-N 3.14Å
293G41.3Very low46.5Very low21 Ų21102.7 Ų102.722%0.21658%0.577CS.*Hα-helixtrans-62-25.1-177.200000114.8T289 F295 T296 I297T289-G293 PolarHBondContact O-N 3.31Å; G293-F295 VanDerWaalsContact C-N 3.31Å; G293-T296 PolarHBondContact O-OG1 3.36Å; G293-I297 WeakPolarHBondContact O-CG1 3.44Å
294L50.3Low46.4Very low143 Ų143105.1 Ų105.175%0.74958%0.577SS**Hα-helixtrans-74.1-20.2174.1-79.9161.1000113.1S292S292-L294 PolarHBondContact O-N 3.5Å
295F44.1Very low46.8Very low169 Ų169108.2 Ų108.274%0.74158%0.58SS**Hα-helixtrans-88.9-30.2-179.5-146-101.4000112.3S292 G293S292-F295 PolarHBondContact O-N 3.43Å; G293-F295 VanDerWaalsContact C-N 3.31Å
296T49.3Very low47Very low79 Ų79108.1 Ų108.149%0.48558%0.58SS.*Hα-helixtrans-83.8-22.2-176.444.40000115S292 G293 T298 T299 F300S292-T296 PolarHBondContact O-N 3.14Å; G293-T296 PolarHBondContact O-OG1 3.36Å; T296-T298 PolarHBondContact O-N 3.02Å; T296-T299 PolarHBondContact O-N 3.36Å; T296-T299 PolarHBondContact O-OG1 3.16Å; T296-T299 VanDerWaalsContact O-OG1 3.06Å; T296-F300 PolarHBondContact O-N 3.28Å; T296-F300 VanDerWaalsContact O-N 3.14Å
297I52.2Low47.3Very low109 Ų109107.4 Ų107.456%0.55957%0.572SS**Hα-helixtrans-67.3-29.3177.6-67.1169000110.9G293 N301G293-I297 WeakPolarHBondContact O-CG1 3.44Å; I297-N301 PolarHBondContact O-ND2 3Å
298T48.4Very low47.6Very low95 Ų95106.8 Ų106.858%0.58356%0.562SS**Hα-helixtrans-72.5-39177.6-20.30000111.6T296T296-T298 PolarHBondContact O-N 3.02Å
299T49.6Very low48.1Very low85 Ų85108 Ų10852%0.52156%0.562SS.*Hα-helixtrans-74.7-33.5179.954.80000112.7T296 N301 V302 F303T296-T299 PolarHBondContact O-N 3.36Å; T296-T299 PolarHBondContact O-OG1 3.16Å; T296-T299 VanDerWaalsContact O-OG1 3.06Å; T299-N301 VanDerWaalsContact C-N 3.34Å; T299-N301 PolarHBondContact O-N 3.35Å; T299-V302 PolarHBondContact O-N 3.15Å; T299-F303 PolarHBondContact O-N 3.29Å; T299-F303 VanDerWaalsContact O-N 3.09Å
300F46.4Very low48.1Very low155 Ų155111 Ų11168%0.6858%0.576SS**Hα-helixtrans-66.4-34.7178.5-144.6-92.6000112.8T296 F303 Y304T296-F300 PolarHBondContact O-N 3.28Å; T296-F300 VanDerWaalsContact O-N 3.14Å; F300-F303 PolarHBondContact O-N 3.2Å; F300-Y304 HydrophobicContact CE1-CD2 4.37Å; F300-Y304 PolarHBondContact O-N 3.33Å; F300-Y304 VanDerWaalsContact O-N 3.08Å
301N45.7Very low47.8Very low112 Ų112110.9 Ų110.960%0.59957%0.571SS**Hα-helixtrans-70.2-35.3175.8-81.3-62.8000112.8I297 T299 F305I297-N301 PolarHBondContact O-ND2 3Å; T299-N301 VanDerWaalsContact C-N 3.34Å; T299-N301 PolarHBondContact O-N 3.35Å; N301-F305 PolarHBondContact O-N 3.36Å
302V53.9Low47.7Very low89 Ų89111.2 Ų111.254%0.53957%0.569SS.*Hα-helixtrans-68.6-39.7176178.60000110.8T299 F305 F306T299-V302 PolarHBondContact O-N 3.15Å; V302-F305 PolarHBondContact O-N 3.38Å; V302-F306 PolarHBondContact O-N 3.36Å
303F45.8Very low47.6Very low146 Ų146116 Ų11664%0.6458%0.584SS**Hα-helixtrans-70-38.4-179.5-147.2-101.9000112.6T299 F300 F305 F306 I307T299-F303 PolarHBondContact O-N 3.29Å; T299-F303 VanDerWaalsContact O-N 3.09Å; F300-F303 PolarHBondContact O-N 3.2Å; F303-F305 VanDerWaalsContact C-N 3.31Å; F303-F305 PolarHBondContact O-N 3.36Å; F303-F306 PolarHBondContact O-N 3.36Å; F303-I307 HydrophobicContact CD1-CD1 3.71Å; F303-I307 HydrophobicContact CD1-CG1 4.35Å; F303-I307 HydrophobicContact CE1-CD1 3.72Å; F303-I307 HydrophobicContact CE1-CG1 4.39Å; F303-I307 PolarHBondContact O-N 3.44Å; F303-I307 VanDerWaalsContact O-N 3.13Å
304Y45.8Very low47.5Very low147 Ų147123.2 Ų123.258%0.57661%0.612SS**Hα-helixtrans-69.7-29.3176.9-140.3-89.2000112.6F300 N308F300-Y304 HydrophobicContact CE1-CD2 4.37Å; F300-Y304 PolarHBondContact O-N 3.33Å; F300-Y304 VanDerWaalsContact O-N 3.08Å; Y304-N308 PolarHBondContact O-N 3.39Å
305F46.4Very low47Very low151 Ų151127.3 Ų127.366%0.66262%0.618SS**Hα-helixtrans-69.6-36.6173.7-144.6-89.4000111.8N301 V302 F303 L309N301-F305 PolarHBondContact O-N 3.36Å; V302-F305 PolarHBondContact O-N 3.38Å; F303-F305 VanDerWaalsContact C-N 3.31Å; F303-F305 PolarHBondContact O-N 3.36Å; F305-L309 HydrophobicContact CD1-CD1 3.88Å; F305-L309 HydrophobicContact CE1-CD1 4Å; F305-L309 PolarHBondContact O-N 3.44Å
306F41.8Very low46.6Very low140 Ų140126.3 Ų126.361%0.61462%0.619SS**Hα-helixtrans-71.5-38177.8-105.2-87.4000113.6V302 F303 N310V302-F306 PolarHBondContact O-N 3.36Å; F303-F306 PolarHBondContact O-N 3.36Å; F306-N310 PolarHBondContact O-N 3.37Å
307I52.4Low46.5Very low83 Ų83134.3 Ų134.343%0.42666%0.657SS.*Hα-helixtrans-69.8-36.4179.6-67.2176.2000111.7F303 N310 N311F303-I307 HydrophobicContact CD1-CD1 3.71Å; F303-I307 HydrophobicContact CD1-CG1 4.35Å; F303-I307 HydrophobicContact CE1-CD1 3.72Å; F303-I307 HydrophobicContact CE1-CG1 4.39Å; F303-I307 PolarHBondContact O-N 3.44Å; F303-I307 VanDerWaalsContact O-N 3.13Å; I307-N310 PolarHBondContact O-N 3.29Å; I307-N311 PolarHBondContact O-N 3.21Å
308N46.5Very low46.2Very low91 Ų91135.6 Ų135.649%0.48766%0.662SS.*Hα-helixtrans-71.1-31.4179.1-86.9-35000113.2Y304Y304-N308 PolarHBondContact O-N 3.39Å
309L50.6Low46.1Very low102 Ų102137.7 Ų137.753%0.53467%0.666SS.*Hα-helixtrans-70.1-32.8175.3-82.6159.9000112.9F305F305-L309 HydrophobicContact CD1-CD1 3.88Å; F305-L309 HydrophobicContact CE1-CD1 4Å; F305-L309 PolarHBondContact O-N 3.44Å
310N49.2Very low45.9Very low119 Ų119140.7 Ų140.764%0.63667%0.674SS**Hα-helixtrans-78.2-21.9179.7-89.7-9.3000114F306 I307F306-N310 PolarHBondContact O-N 3.37Å; I307-N310 PolarHBondContact O-N 3.29Å
311N45.5Very low45.9Very low112 Ų112139.8 Ų139.860%0.59967%0.674SS**Hα-helixtrans-82-25.3177.6-89.4-29.4000113.8I307I307-N311 PolarHBondContact O-N 3.21Å
312D48.9Very low45.9Very low129 Ų129141.6 Ų141.669%0.6968%0.679SS**Hα-helixtrans-78.2-22.4178.6-90.1-23.2000113.3H314D312-H314 VanDerWaalsContact C-N 3.29Å; D312-H314 PolarHBondContact O-N 3.23Å
313H45.2Very low45.3Very low159 Ų159145.1 Ų145.174%0.73669%0.688SS**THydrogen-bonded Turntrans-74.7-14.6178.7-102.5-69.8000114.6
314H40.3Very low45.3Very low173 Ų173145 Ų14580%0.80169%0.691SS**THydrogen-bonded Turntrans-9911.5-176-110.6-65.4000115.2D312D312-H314 VanDerWaalsContact C-N 3.29Å; D312-H314 PolarHBondContact O-N 3.23Å
315R38.4Very low45.3Very low228 Ų228144.8 Ų144.886%0.8670%0.7SS**SBendtrans-114.78.5177.6-104.1-174.7171.4-170.3-1.9116.1
316I37.3Very low45.2Very low149 Ų149144.3 Ų144.376%0.76470%0.703SS**  trans-127.177.4175.2-50176.8000109.3
317L46Very low45.5Very low247 Ų247144.7 Ų144.7100%1.29371%0.711SS**  trans-163.40154.1-98.5166.8000107.4

Retrieved 317 of 317 residues in 201.9 ms (Link to these results)