A0A061IF96_CRIGR Loading...

Paired mesoderm homeobox protein 2A

AlphaFold DB , UniProt , Accession A0A061IF96, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC113834882, Length 280 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
1M48.3Very low57.1Low208 Ų208137 Ų137100%1.02569%0.692SS**  031.40-69168.4173.500113.3Y3M1-Y3 PolarHBondContact O-N 2.92Å
2D43.5Very low57.4Low133 Ų133131.1 Ų131.171%0.71167%0.672SS**  54.261.3107.3-26.4-40.3000117.8S4D2-S4 PolarHBondContact O-N 3.3Å; D2-S4 VanDerWaalsContact O-N 3.08Å
3Y49.8Very low58.5Low202 Ų202125.8 Ų125.879%0.79265%0.649SS**THydrogen-bonded Turntrans-65.9-0.9170.8-90.9-94.6000115.2M1 Y5 L6M1-Y3 PolarHBondContact O-N 2.92Å; Y3-Y5 VanDerWaalsContact C-N 3.28Å; Y3-Y5 PolarHBondContact O-N 3.45Å; Y3-L6 HydrophobicContact CD1-CD1 4.47Å
4S60.4Low58.8Low93 Ų93120.4 Ų120.465%0.6563%0.632SS**Hα-helixtrans-65.8-22.7-173.947.50000114.8D2D2-S4 PolarHBondContact O-N 3.3Å; D2-S4 VanDerWaalsContact O-N 3.08Å
5Y57.2Low58.8Low184 Ų184116.3 Ų116.372%0.72262%0.623SS**Hα-helixtrans-69.7-39.3-177.3-167.4-102.2000113.2Y3 N7 S8 Y9Y3-Y5 VanDerWaalsContact C-N 3.28Å; Y3-Y5 PolarHBondContact O-N 3.45Å; Y5-N7 PolarHBondContact O-N 2.96Å; Y5-S8 PolarHBondContact O-N 3.37Å; Y5-Y9 PolarHBondContact O-N 2.65Å
6L60.3Low59.2Low120 Ų120117.3 Ų117.363%0.62863%0.625SS**Hα-helixtrans-61.5-42.6-179.7-90.3163.3000112.2Y3 S8 Y9 D10Y3-L6 HydrophobicContact CD1-CD1 4.47Å; L6-S8 VanDerWaalsContact C-N 3.27Å; L6-S8 PolarHBondContact O-N 3.13Å; L6-Y9 PolarHBondContact O-N 3.21Å; L6-Y9 VanDerWaalsContact O-N 3.12Å; L6-D10 PolarHBondContact O-N 3.2Å
7N57.1Low59.1Low128 Ų128117.8 Ų117.868%0.68462%0.623SS**Hα-helixtrans-65.7-29.8-175.5-139.324.8000112.7Y5 S11Y5-N7 PolarHBondContact O-N 2.96Å; N7-S11 VanDerWaalsContact O-CB 3.31Å; N7-S11 WeakPolarHBondContact O-CB 3.47Å; N7-S11 PolarHBondContact O-N 3.43Å
8S63.2Low59Low87 Ų87115.4 Ų115.461%0.60862%0.622SS**Hα-helixtrans-73-36174.9-168.60000112.1Y5 L6 C12Y5-S8 PolarHBondContact O-N 3.37Å; L6-S8 VanDerWaalsContact C-N 3.27Å; L6-S8 PolarHBondContact O-N 3.13Å; S8-C12 VanDerWaalsContact O-CB 3.31Å; S8-C12 WeakPolarHBondContact O-CB 3.4Å; S8-C12 PolarHBondContact O-N 3.43Å; S8-C12 VanDerWaalsContact O-N 3.13Å
9Y59.9Low58.8Low154 Ų154114.9 Ų114.960%0.60463%0.628SS**Hα-helixtrans-72.6-43.3178-154.3-87.2000111.7Y5 L6 C12 V13Y5-Y9 PolarHBondContact O-N 2.65Å; L6-Y9 PolarHBondContact O-N 3.21Å; L6-Y9 VanDerWaalsContact O-N 3.12Å; Y9-C12 WeakPolarHBondContact O-CB 3.4Å; Y9-C12 PolarHBondContact O-N 3.47Å; Y9-V13 HydrophobicContact CD1-CG2 4.05Å; Y9-V13 HydrophobicContact CE1-CG2 3.98Å; Y9-V13 WeakPolarHBondContact O-CG2 3.2Å; Y9-V13 PolarHBondContact O-N 3.27Å
10D61.9Low58.5Low117 Ų117112.9 Ų112.963%0.62663%0.628SS**Hα-helixtrans-61.9-46.4177.5-159.2-98.1000111.4L6 C12 V13 A14L6-D10 PolarHBondContact O-N 3.2Å; D10-C12 VanDerWaalsContact C-N 3.32Å; D10-C12 PolarHBondContact O-N 3.23Å; D10-V13 PolarHBondContact O-N 3.36Å; D10-A14 WeakPolarHBondContact O-CB 3.33Å; D10-A14 PolarHBondContact O-N 3.07Å
11S66.1Low58Low81 Ų81117.3 Ų117.357%0.56664%0.636SS**Hα-helixtrans-63.2-34.5175.9-168.20000113.3N7 A15N7-S11 VanDerWaalsContact O-CB 3.31Å; N7-S11 WeakPolarHBondContact O-CB 3.47Å; N7-S11 PolarHBondContact O-N 3.43Å; S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 3.45Å; S11-A15 VanDerWaalsContact O-N 3.11Å
12C60.8Low58.3Low66 Ų66110.3 Ų110.345%0.44662%0.617SS.*Hα-helixtrans-64.6-46.5173-179.10000111.9S8 Y9 D10 A15 M16S8-C12 VanDerWaalsContact O-CB 3.31Å; S8-C12 WeakPolarHBondContact O-CB 3.4Å; S8-C12 PolarHBondContact O-N 3.43Å; S8-C12 VanDerWaalsContact O-N 3.13Å; Y9-C12 WeakPolarHBondContact O-CB 3.4Å; Y9-C12 PolarHBondContact O-N 3.47Å; D10-C12 VanDerWaalsContact C-N 3.32Å; D10-C12 PolarHBondContact O-N 3.23Å; C12-A15 PolarHBondContact O-N 2.88Å; C12-M16 PolarHBondContact O-N 2.96Å
13V71.6Confident58.6Low62 Ų62111.6 Ų111.638%0.37662%0.624SS.*Hα-helixtrans-65.1-45.7177.81730000110.9Y9 D10 A15 M16 E17Y9-V13 HydrophobicContact CD1-CG2 4.05Å; Y9-V13 HydrophobicContact CE1-CG2 3.98Å; Y9-V13 WeakPolarHBondContact O-CG2 3.2Å; Y9-V13 PolarHBondContact O-N 3.27Å; D10-V13 PolarHBondContact O-N 3.36Å; V13-A15 VanDerWaalsContact C-N 3.31Å; V13-A15 PolarHBondContact O-N 3.06Å; V13-M16 PolarHBondContact O-N 2.97Å; V13-E17 HydrophobicContact CG1-CG 4.39Å; V13-E17 PolarHBondContact O-N 3.05Å
14A63.5Low58.5Low50 Ų50112.3 Ų112.341%0.41363%0.632SS.*Hα-helixtrans-59.1-38.8178.100000112.8D10 E17 A18D10-A14 WeakPolarHBondContact O-CB 3.33Å; D10-A14 PolarHBondContact O-N 3.07Å; A14-E17 PolarHBondContact O-N 3.42Å; A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.21Å; A14-A18 PolarHBondContact O-N 3.37Å
15A58.2Low57.6Low59 Ų59111.2 Ų111.249%0.48864%0.635SS.*Hα-helixtrans-66.7-34.8174.900000112.8S11 C12 V13 S19S11-A15 WeakPolarHBondContact O-CB 3.3Å; S11-A15 PolarHBondContact O-N 3.45Å; S11-A15 VanDerWaalsContact O-N 3.11Å; C12-A15 PolarHBondContact O-N 2.88Å; V13-A15 VanDerWaalsContact C-N 3.31Å; V13-A15 PolarHBondContact O-N 3.06Å; A15-S19 PolarHBondContact O-N 2.72Å; A15-S19 PolarHBondContact O-OG 3.15Å
16M66.4Low56.8Low133 Ų133107.3 Ų107.366%0.65564%0.641SS**Hα-helixtrans-72.4-40.3174.8-68.9-168.3-177.800112.4C12 V13 S19 A20C12-M16 PolarHBondContact O-N 2.96Å; V13-M16 PolarHBondContact O-N 2.97Å; M16-S19 WeakPolarHBondContact O-CB 3.33Å; M16-S19 PolarHBondContact O-N 2.77Å; M16-A20 PolarHBondContact O-N 2.95Å
17E57.5Low55.7Low126 Ų126108 Ų10859%0.58965%0.654SS**Hα-helixtrans-71-37.9177.7-69-160.4127.700112.7V13 A14 S19 A20 Y21V13-E17 HydrophobicContact CG1-CG 4.39Å; V13-E17 PolarHBondContact O-N 3.05Å; A14-E17 PolarHBondContact O-N 3.42Å; E17-S19 PolarHBondContact O-N 2.75Å; E17-A20 WeakPolarHBondContact O-CB 3.22Å; E17-A20 PolarHBondContact O-N 2.73Å; E17-Y21 PolarHBondContact O-N 3.08Å
18A56.4Low55.6Low75 Ų75107.1 Ų107.162%0.6266%0.658SS**Hα-helixtrans-58.3-33.7172.200000112.3A14 A20A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.21Å; A14-A18 PolarHBondContact O-N 3.37Å; A18-A20 VanDerWaalsContact C-N 3.28Å; A18-A20 PolarHBondContact O-N 2.6Å
19S54.6Low55Low105 Ų105111.8 Ų111.873%0.73467%0.67SS**THydrogen-bonded Turntrans-74.9-13.4175.8-56.50000113.8A15 M16 E17A15-S19 PolarHBondContact O-N 2.72Å; A15-S19 PolarHBondContact O-OG 3.15Å; M16-S19 WeakPolarHBondContact O-CB 3.33Å; M16-S19 PolarHBondContact O-N 2.77Å; E17-S19 PolarHBondContact O-N 2.75Å
20A52.8Low54.7Low75 Ų75110.2 Ų110.262%0.6268%0.679SS**THydrogen-bonded Turntrans-99.2-12.7-176.100000114.4M16 E17 A18M16-A20 PolarHBondContact O-N 2.95Å; E17-A20 WeakPolarHBondContact O-CB 3.22Å; E17-A20 PolarHBondContact O-N 2.73Å; A18-A20 VanDerWaalsContact C-N 3.28Å; A18-A20 PolarHBondContact O-N 2.6Å
21Y49Very low53.4Low206 Ų206107.9 Ų107.981%0.80868%0.683SS**SBendtrans-1207.8-177.9-84.7-82.4000114.5E17E17-Y21 PolarHBondContact O-N 3.08Å
22G53.7Low52.7Low60 Ų60107.9 Ų107.962%0.61970%0.695SS**  trans-70130.9168.600000112.4
23D51.4Low51.5Low161 Ų161114.5 Ų114.586%0.86172%0.717SS**SBendtrans6674.1172.6-146-103.7000117.9
24F46.1Very low49.9Very low217 Ų217121 Ų12195%0.95274%0.743SS**  trans-148.588.9143.1-150.6-91.8000114.1
25G41.6Very low48.7Very low70 Ų70129.2 Ų129.272%0.72277%0.765SS**  trans131.4100.7152.700000117.5
26A40.8Very low47.6Very low101 Ų101131.3 Ų131.384%0.83578%0.776SS**  trans-156.32816100000114.5S28A26-S28 PolarHBondContact O-N 3.38Å; A26-S28 VanDerWaalsContact O-N 3.09Å
27C37.4Very low47.6Very low136 Ų136130 Ų13092%0.91978%0.777SS**  trans-84.176.4178.652.40000112.7
28S55.8Low46.5Very low109 Ų109132.3 Ų132.376%0.76279%0.793SS**  trans-143.396.7175.2-168.60000113.7A26A26-S28 PolarHBondContact O-N 3.38Å; A26-S28 VanDerWaalsContact O-N 3.09Å
29Q48.7Very low45.6Very low185 Ų185139.8 Ų139.886%0.86481%0.805SS**  trans-156.7152.7149.9-86-56.4-2100107.7
30P54.3Low45.8Very low121 Ų121140 Ų14079%0.78680%0.804SS**  trans-94.2152.3-173.336.8-32.9000113.5
31G35.3Very low44.8Very low68 Ų68141.1 Ų141.170%0.70181%0.813SS**  trans-164.587.9172.400000111
32G51.2Low44.4Very low80 Ų80140.9 Ų140.983%0.82582%0.817SS**  trans-78.2136.2178.800000112
33F34.4Very low44.2Very low206 Ų206144.1 Ų144.190%0.90483%0.826SS**  trans-126.9145.5172.5-91.5-86.5000111.8
34Q40Very low44Very low197 Ų197140.7 Ų140.792%0.92182%0.821SS**  trans-91.7177.6-174.4-61.3-170.526.200112.8
35Y36.3Very low44Very low224 Ų224135.6 Ų135.688%0.87882%0.819SS**  trans-73.8136.8-171.4-96-111.6000115.2
36S35.8Very low44.2Very low102 Ų102135.4 Ų135.471%0.71382%0.817SS**  trans57.9169.6134.8-77.90000121.3
37P66Low44.8Very low107 Ų107136.6 Ų136.670%0.69582%0.816SS**  cis-131.5-169.6-38.233.5-14.9000112
38L34.1Very low45.2Very low174 Ų174136 Ų13691%0.91181%0.81SS**  trans130.6151.1148.4-66.5173.2000115.7
39R37.7Very low44.7Very low231 Ų231136.6 Ų136.687%0.87281%0.813SS**  trans-107.8-177.5-178.8-124.8-170.6160.5-177-5.1108.2
40P58.5Low45Very low109 Ų109133.6 Ų133.671%0.70881%0.81SS**  cis-131.6155.6-26.136.1-20.9000113.9
41A33.5Very low44.6Very low99 Ų99132.6 Ų132.682%0.81881%0.812SS**  trans-158.1136153.600000112.7
42F40.6Very low45Very low202 Ų202138 Ų13889%0.88682%0.823SS**  trans-119.9141.9159.9-82.1-80.9000106
43P49Very low44.6Very low127 Ų127137.2 Ų137.283%0.82582%0.816SS**  -141.9179.474.532.1-12000113.1
44A45.8Very low45.1Very low89 Ų89133.4 Ų133.474%0.73682%0.815SS**  cis-169.2-176.7-26.300000107.6
45A47.6Very low45.1Very low111 Ų111129.7 Ų129.792%0.91781%0.811SS**  trans77.3103.7174.700000117.3
46G45.4Very low45.5Very low66 Ų66126.7 Ų126.768%0.6881%0.81SS**  trans151.7121.6171.900000111.3
47P53.3Low45.9Very low126 Ų126128 Ų12882%0.81882%0.817SS**PPolyproline II helixtrans-73132.5176.529.2-32.9000110.7
48P45.6Very low45.3Very low122 Ų122127.5 Ų127.579%0.79282%0.822SS**PPolyproline II helixtrans-78.6131.9-175.630.4-34.3000112.2
49C44.5Very low46.1Very low122 Ų122127.8 Ų127.882%0.82482%0.824SS**PPolyproline II helixtrans-74.6125.2163.2-64.90000109.2A51C49-A51 PolarHBondContact O-N 3.21Å
50P55.1Low46.8Very low122 Ų122120.2 Ų120.279%0.79282%0.817SS**PPolyproline II helixtrans-70.9121.8175.428.3-32.9000110.3
51A46.3Very low46.1Very low101 Ų101120 Ų12084%0.83583%0.825SS**PPolyproline II helixtrans-67.9134.1175.800000111.1C49 G53C49-A51 PolarHBondContact O-N 3.21Å; A51-G53 PolarHBondContact O-N 2.79Å; A51-G53 VanDerWaalsContact O-N 3.1Å
52L44.8Very low47Very low180 Ų180123.4 Ų123.494%0.94283%0.829SS**  trans-74.799.3176.4-71.2171.3000110.5
53G42.6Very low47.2Very low65 Ų65124.7 Ų124.767%0.6783%0.828SS**  trans-68.2165.5169.500000113.1A51 S55A51-G53 PolarHBondContact O-N 2.79Å; A51-G53 VanDerWaalsContact O-N 3.1Å; G53-S55 PolarHBondContact O-N 3.31Å
54S45Very low47Very low125 Ų125124.9 Ų124.987%0.87482%0.822SS**  trans-48.3130.8-171.5-55.30000114.9N56S54-N56 PolarHBondContact O-N 2.8Å
55S40.6Very low47.3Very low120 Ų120129.5 Ų129.584%0.83983%0.828SS**  trans-75.578.6-173.643.90000113.9G53 C57G53-S55 PolarHBondContact O-N 3.31Å; S55-C57 PolarHBondContact O-N 3.05Å
56N43.5Very low47Very low160 Ų160132.1 Ų132.186%0.85682%0.821SS**  trans-71.6108.8165.9-121.212.7000109.8S54 A58S54-N56 PolarHBondContact O-N 2.8Å; N56-A58 VanDerWaalsContact C-N 3.29Å; N56-A58 PolarHBondContact O-N 2.77Å
57C45.1Very low47.4Very low129 Ų129134 Ų13487%0.87282%0.821SS**  trans-78.967.8-173.159.60000113.5S55 L59S55-C57 PolarHBondContact O-N 3.05Å; C57-L59 PolarHBondContact O-N 2.91Å
58A52Low47.1Very low97 Ų97132.4 Ų132.480%0.80282%0.819SS**  trans-72.7122.8172.900000111.5N56 G60N56-A58 VanDerWaalsContact C-N 3.29Å; N56-A58 PolarHBondContact O-N 2.77Å; A58-G60 PolarHBondContact O-N 3.34Å
59L52.5Low47.7Very low181 Ų181130.6 Ų130.695%0.94881%0.807SS**  trans-77.2116179.9-108.4163.3000111.6C57C57-L59 PolarHBondContact O-N 2.91Å
60G51.8Low47.9Very low71 Ų71132.6 Ų132.673%0.73280%0.798SS**  trans63.462150.400000118A58 L62A58-G60 PolarHBondContact O-N 3.34Å; G60-L62 PolarHBondContact O-N 3.02Å
61A42.8Very low47.6Very low106 Ų106129.9 Ų129.988%0.87678%0.782SS**  trans-72.8121.5161.500000110.5
62L53.7Low48.1Very low170 Ų170130.1 Ų130.189%0.8978%0.784SS**  trans-96.491.2-174.8-168.782.4000111.5G60G60-L62 PolarHBondContact O-N 3.02Å
63R44.4Very low48.8Very low228 Ų228126.3 Ų126.386%0.8677%0.768SS**  trans-166.7145.1166-115.9130.270.5159.51.5110.1
64D43.8Very low49.6Very low132 Ų132129.1 Ų129.171%0.70678%0.775SS**  cis-145.1142.6-3.1-160.1-95.4000110.1Q66D64-Q66 PolarHBondContact O-N 2.82Å
65H52.5Low49.7Very low186 Ų186132 Ų13286%0.86177%0.768SS**  trans-95.393.2178.1-92.2-75.1000110.4P67H65-P67 WeakPolarHBondContact O-CD 3.47Å; H65-P67 VanDerWaalsContact O-N 3.16Å
66Q41.9Very low50.4Low166 Ų166134.3 Ų134.378%0.77676%0.763SS**  trans-48.1115.7167.6-112.2-86-44.600110.6D64 A68D64-Q66 PolarHBondContact O-N 2.82Å; Q66-A68 PolarHBondContact O-N 3.17Å; Q66-A68 VanDerWaalsContact O-N 3.08Å
67P53.3Low50.8Low104 Ų104135.9 Ų135.968%0.67576%0.762SS**  trans-79.195.2-18030.6-32.6000109.8H65 P69H65-P67 WeakPolarHBondContact O-CD 3.47Å; H65-P67 VanDerWaalsContact O-N 3.16Å; P67-P69 WeakPolarHBondContact O-CD 3.43Å
68A46.5Very low50.9Low93 Ų93136.6 Ų136.677%0.76975%0.751SS**  trans-59.7115.9172.800000110.1Q66Q66-A68 PolarHBondContact O-N 3.17Å; Q66-A68 VanDerWaalsContact O-N 3.08Å
69P59.2Low51Low84 Ų84136.5 Ų136.555%0.54574%0.742SS.*  trans-99.6115-173.322-5.7000111P67 P220P67-P69 WeakPolarHBondContact O-CD 3.43Å; P69-P220 HydrophobicContact CB-CG 3.98Å; P69-P220 HydrophobicContact CG-CB 3.97Å; P69-P220 HydrophobicContact CG-CG 3.9Å; P69-P220 VanDerWaalsContact O-CB 3.27Å; P69-P220 WeakPolarHBondContact O-CB 3.35Å; P69-P220 WeakPolarHBondContact O-CG 3.33Å
70Y48.4Very low51.1Low164 Ų164135.3 Ų135.364%0.64373%0.732SS**  trans-163.2148.7150.9-178.6-119.5000110.6
71S48.3Very low51.1Low66 Ų66137.5 Ų137.546%0.46273%0.733SS.*  trans56.184.5169.4-1480000117.5V73S71-V73 PolarHBondContact O-N 3.26Å; S71-V73 WeakPolarHBondContact OG-CG1 3.38Å
72A57.2Low51.7Low106 Ų106137 Ų13788%0.87672%0.723SS**  trans-68.384.3146.200000109.1
73V59.9Low51.7Low100 Ų100131.7 Ų131.761%0.60671%0.71SS**  trans-65.1133.3161.9-72.70000108.4S71 Y75S71-V73 PolarHBondContact O-N 3.26Å; S71-V73 WeakPolarHBondContact OG-CG1 3.38Å; V73-Y75 PolarHBondContact O-N 2.57Å
74P58.7Low52.2Low124 Ų124127.1 Ų127.181%0.80570%0.702SS**  trans-77.368.9179.732.4-35.6000109.9K76P74-K76 PolarHBondContact O-N 3.42Å
75Y48.2Very low52.6Low184 Ų184129.3 Ų129.372%0.72271%0.707SS**  trans-64.4126.9176.1-157-110.2000108.9V73 F78V73-Y75 PolarHBondContact O-N 2.57Å; Y75-F78 AromaticContact CD1-CD2 3.91Å; Y75-F78 HydrophobicContact CD1-CD2 3.91Å; Y75-F78 HydrophobicContact CD1-CE2 4.21Å; Y75-F78 AromaticContact CE1-CD2 3.34Å; Y75-F78 HydrophobicContact CE1-CD2 3.34Å; Y75-F78 AromaticContact CE1-CE2 3.34Å; Y75-F78 HydrophobicContact CE1-CE2 3.34Å; Y75-F78 HydrophobicContact CE1-CG 4.41Å; Y75-F78 HydrophobicContact CE1-CZ 4.41Å; Y75-F78 AromaticContact CZ-CE2 3.63Å
76K54.3Low52.9Low170 Ų170127.5 Ų127.574%0.73970%0.699SS**  trans-58.7151.9-170.9-67.3-72.7-173.7171.90110.8P74 F78P74-K76 PolarHBondContact O-N 3.42Å; K76-F78 WeakPolarHBondContact O-CD2 3.38Å; K76-F78 PolarHBondContact O-N 3.39Å
77F52Low53.5Low193 Ų193128 Ų12885%0.84670%0.698SS**  trans-33.9100.6160.4-178-93.7000112.3P79F77-P79 HydrophobicContact CD1-CG 4.34Å; F77-P79 HydrophobicContact CE1-CG 3.87Å; F77-P79 HydrophobicContact CZ-CG 4.47Å
78F47Very low53.7Low144 Ų144134.1 Ų134.163%0.63271%0.708SS**  trans-110.9115.6164.5-89.7-86.4000107.2Y75 K76Y75-F78 AromaticContact CD1-CD2 3.91Å; Y75-F78 HydrophobicContact CD1-CD2 3.91Å; Y75-F78 HydrophobicContact CD1-CE2 4.21Å; Y75-F78 AromaticContact CE1-CD2 3.34Å; Y75-F78 HydrophobicContact CE1-CD2 3.34Å; Y75-F78 AromaticContact CE1-CE2 3.34Å; Y75-F78 HydrophobicContact CE1-CE2 3.34Å; Y75-F78 HydrophobicContact CE1-CG 4.41Å; Y75-F78 HydrophobicContact CE1-CZ 4.41Å; Y75-F78 AromaticContact CZ-CE2 3.63Å; K76-F78 WeakPolarHBondContact O-CD2 3.38Å; K76-F78 PolarHBondContact O-N 3.39Å
79P54.7Low54.5Low94 Ų94139.1 Ų139.161%0.6171%0.713SS**  trans-58.2146.7177.1-26.735.9000112.8F77 P81F77-P79 HydrophobicContact CD1-CG 4.34Å; F77-P79 HydrophobicContact CE1-CG 3.87Å; F77-P79 HydrophobicContact CZ-CG 4.47Å; P79-P81 WeakPolarHBondContact O-CD 3.4Å
80E53.8Low55.3Low157 Ų157143 Ų14373%0.73472%0.723SS**  trans-60123.9177.1-177.2-165.6139.100112.5S82E80-S82 VanDerWaalsContact OE1-CB 3.31Å; E80-S82 WeakPolarHBondContact OE1-CB 3.41Å; E80-S82 PolarHBondContact OE1-OG 2.93Å
81P52.4Low56.9Low116 Ų116145.7 Ų145.775%0.75373%0.732SS**  trans-94.394.4158.433.3-24.3000108.8P79P79-P81 WeakPolarHBondContact O-CD 3.4Å
82S54.8Low58.6Low95 Ų95154 Ų15466%0.66475%0.754SS**  trans-60.8133.6-177.5-38.80000112.1E80E80-S82 VanDerWaalsContact OE1-CB 3.31Å; E80-S82 WeakPolarHBondContact OE1-CB 3.41Å; E80-S82 PolarHBondContact OE1-OG 2.93Å
83G54.2Low60.1Low60 Ų60155.6 Ų155.662%0.61975%0.746SS**  trans98.363.8162.700000118.2
84L54.5Low61.7Low132 Ų132161.3 Ų161.369%0.69176%0.757SS**  trans-138.646.3165.8-73.4179.5000113.3
85H53.1Low63.4Low178 Ų178157.6 Ų157.682%0.82473%0.732SS**  trans-91.80177.9-89.6-69.6000114.4K87H85-K87 PolarHBondContact O-N 3.29Å
86E57.3Low65.6Low147 Ų147154.6 Ų154.669%0.68773%0.733SS**THydrogen-bonded Turntrans-68.2-0.1-177.7-72.654.9-125.800113.8R88E86-R88 PolarHBondContact O-N 3.38Å
87K54.4Low67.7Low176 Ų176149.6 Ų149.677%0.76571%0.711SS**THydrogen-bonded Turntrans-68.14.1-178.2-65.4-179.2-178.3173.40114.4H85 K89H85-K87 PolarHBondContact O-N 3.29Å; K87-K89 PolarHBondContact O-N 3.09Å
88R59.3Low69.9Low233 Ų233144 Ų14488%0.87969%0.693SS**SBendtrans-77.556174.9-158.8-179-158.5151.37113E86 Q90E86-R88 PolarHBondContact O-N 3.38Å; R88-Q90 PolarHBondContact O-N 3.38Å
89K63.2Low72.3Confident199 Ų199141 Ų14187%0.86569%0.69SS**  trans24.975.4171.5-73.5-177.5176.4175.50114.4K87 R91K87-K89 PolarHBondContact O-N 3.09Å; K89-R91 PolarHBondContact O-N 2.86Å; K89-R91 VanDerWaalsContact O-N 3.08Å
90Q74.6Confident74.3Confident164 Ų164140 Ų14077%0.76669%0.689SS**PPolyproline II helixtrans-53.6118.2-179.7-177.963.2-9.400111.1R88 R92R88-Q90 PolarHBondContact O-N 3.38Å; Q90-R92 PolarHBondContact O-N 3.4Å
91R83.4Confident76.5Confident221 Ų221133.8 Ų133.883%0.83466%0.66SS**PPolyproline II helixtrans-67.3127-176.8-170.6176.1-174.7-132.16.4108.8K89 I93K89-R91 PolarHBondContact O-N 2.86Å; K89-R91 VanDerWaalsContact O-N 3.08Å; R91-I93 PolarHBondContact O-N 3.32Å
92R84.3Confident78.7Confident241 Ų241131 Ų13191%0.90964%0.639SS**PPolyproline II helixtrans-51.1128.3179-71.4-167.2-176.3-149.65110Q90Q90-R92 PolarHBondContact O-N 3.4Å
93I88.7Confident80.7Confident139 Ų139133.6 Ų133.671%0.71364%0.638SS**PPolyproline II helixtrans-59.7137.4179.8-55-56.5000109.7R91R91-I93 PolarHBondContact O-N 3.32Å
94R93.1Very high82.8Confident221 Ų221132.5 Ų132.583%0.83462%0.617SS**PPolyproline II helixtrans-87.4124.4179.5-178.6-179.1-179.5179.92.1109.6T96R94-T96 PolarHBondContact O-N 3.28Å
95T93.1Very high84.9Confident45 Ų45126.2 Ų126.228%0.27658%0.584SS.*PPolyproline II helixtrans-62.5129.1170.1-48.50000110.6F97 L129 R133T95-F97 HydrophobicContact CG2-CE1 4.38Å; T95-L129 HydrophobicContact CG2-CD2 3.96Å; T95-R133 WeakPolarHBondContact OG1-CD 3.25Å
96T95.5Very high87.1Confident121 Ų121121.7 Ų121.774%0.74256%0.563SS**  trans-106124.6169.347.40000108.8R94R94-T96 PolarHBondContact O-N 3.28Å
97F97.4Very high89Confident65 Ų65120 Ų12029%0.28555%0.55SS.*  trans-87.2139.9-178.5-53.6-89000110.5T95 L102 L105 L129 W137T95-F97 HydrophobicContact CG2-CE1 4.38Å; F97-L102 HydrophobicContact CB-CD1 4.39Å; F97-L102 HydrophobicContact CB-CD2 3.76Å; F97-L102 HydrophobicContact CB-CG 3.81Å; F97-L102 HydrophobicContact CD2-CD2 4.49Å; F97-L102 HydrophobicContact CG-CD2 4.18Å; F97-L105 HydrophobicContact CD1-CD1 4.17Å; F97-L105 HydrophobicContact CE1-CD1 4.41Å; F97-L129 HydrophobicContact CD1-CD1 3.73Å; F97-L129 HydrophobicContact CE1-CD1 3.68Å; F97-W137 HydrophobicContact CE1-CB 4.46Å; F97-W137 AromaticContact CE2-CD1 3.81Å; F97-W137 HydrophobicContact CZ-CB 4.16Å; F97-W137 AromaticContact CZ-CD1 3.77Å; F97-W137 HydrophobicContact CZ-CG 4.37Å
98T98.4Very high91.1Very high75 Ų75111.8 Ų111.846%0.4652%0.515SS..  trans-76.3163.4171.877.70000111A100 Q101 L102T98-A100 VanDerWaalsContact C-N 3.27Å; T98-A100 PolarHBondContact O-N 3.04Å; T98-A100 PolarHBondContact OG1-N 3.38Å; T98-Q101 PolarHBondContact O-N 3.34Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.34Å; T98-Q101 PolarHBondContact OG1-N 3.4Å; T98-L102 WeakPolarHBondContact O-CG 3.41Å; T98-L102 PolarHBondContact O-N 2.87Å
99S97.9Very high92.9Very high83 Ų83101 Ų10158%0.5848%0.475SS*.Hα-helixtrans-59.8-37176.2-179.60000112.4L102 K103S99-L102 PolarHBondContact O-N 3.23Å; S99-K103 WeakPolarHBondContact O-CG 3.29Å; S99-K103 PolarHBondContact O-N 3.25Å
100A97.8Very high94.6Very high71 Ų7195.7 Ų95.759%0.58747%0.468SS*.Hα-helixtrans-65.7-46.1177.100000112T98 L102 K103 E104T98-A100 VanDerWaalsContact C-N 3.27Å; T98-A100 PolarHBondContact O-N 3.04Å; T98-A100 PolarHBondContact OG1-N 3.38Å; A100-L102 VanDerWaalsContact C-N 3.29Å; A100-L102 PolarHBondContact O-N 3.5Å; A100-K103 PolarHBondContact O-N 3.38Å; A100-E104 PolarHBondContact O-N 3.17Å
101Q98.3Very high95.7Very high27 Ų2793.9 Ų93.913%0.12646%0.459CS..Hα-helixtrans-59.1-41.4175.3-67174.1-32.800111.5T98 L105 I127T98-Q101 PolarHBondContact O-N 3.34Å; T98-Q101 WeakPolarHBondContact OG1-CG 3.34Å; T98-Q101 PolarHBondContact OG1-N 3.4Å; Q101-L105 WeakPolarHBondContact O-CB 3.31Å; Q101-L105 WeakPolarHBondContact O-CD1 3.47Å; Q101-L105 VanDerWaalsContact O-CG 3.23Å; Q101-L105 WeakPolarHBondContact O-CG 3.34Å; Q101-L105 PolarHBondContact O-N 3.38Å; Q101-L105 VanDerWaalsContact O-N 3.12Å; Q101-I127 HydrophobicContact CG-CB 4.13Å; Q101-I127 PolarHBondContact NE2-O 2.97Å
102L98.4Very high96.4Very high58 Ų5886 Ų8630%0.30444%0.435SS..Hα-helixtrans-65.6-39.2177.7-70.3173.8000112.8F97 T98 S99 A100 L105 E106 W137F97-L102 HydrophobicContact CB-CD1 4.39Å; F97-L102 HydrophobicContact CB-CD2 3.76Å; F97-L102 HydrophobicContact CB-CG 3.81Å; F97-L102 HydrophobicContact CD2-CD2 4.49Å; F97-L102 HydrophobicContact CG-CD2 4.18Å; T98-L102 WeakPolarHBondContact O-CG 3.41Å; T98-L102 PolarHBondContact O-N 2.87Å; S99-L102 PolarHBondContact O-N 3.23Å; A100-L102 VanDerWaalsContact C-N 3.29Å; A100-L102 PolarHBondContact O-N 3.5Å; L102-L105 PolarHBondContact O-N 3.1Å; L102-E106 WeakPolarHBondContact O-CB 3.42Å; L102-E106 WeakPolarHBondContact O-CG 3.19Å; L102-E106 PolarHBondContact O-N 2.89Å; L102-W137 HydrophobicContact CD2-CZ2 4.41Å; L102-W137 VanDerWaalsContact CD2-NE1 3.27Å
103K98.3Very high97Very high149 Ų14977.7 Ų77.765%0.64841%0.407SS*.Hα-helixtrans-59.9-46.7176.9-75.4174179.2-173.70112.1S99 A100 E106 R107S99-K103 WeakPolarHBondContact O-CG 3.29Å; S99-K103 PolarHBondContact O-N 3.25Å; A100-K103 PolarHBondContact O-N 3.38Å; K103-E106 PolarHBondContact O-N 3.1Å; K103-R107 WeakPolarHBondContact O-CB 3.44Å; K103-R107 PolarHBondContact O-N 3.43Å
104E98.2Very high97.5Very high37 Ų3778.5 Ų78.517%0.17340%0.402CS..Hα-helixtrans-70.1-37.1-179.5-177.761-171.500112.2A100 E106 R107 V108 L123 K126 I127A100-E104 PolarHBondContact O-N 3.17Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E104-R107 PolarHBondContact O-N 3.12Å; E104-R107 IonicContact OE1-CZ 3.18Å; E104-R107 IonicContact OE1-NE 3.65Å; E104-R107 PolarHBondContact OE1-NE 3.24Å; E104-R107 IonicContact OE1-NH2 2.6Å; E104-R107 PolarHBondContact OE1-NH2 3.45Å; E104-R107 IonicContact OE2-CZ 2.75Å; E104-R107 IonicContact OE2-NE 3.53Å; E104-R107 PolarHBondContact OE2-NE 2.74Å; E104-R107 IonicContact OE2-NH2 2.73Å; E104-V108 PolarHBondContact O-N 3.39Å; E104-L123 HydrophobicContact CG-CD2 3.71Å; E104-K126 HydrophobicContact CG-CD 4.18Å; E104-K126 WeakPolarHBondContact OE1-CD 3.31Å; E104-K126 IonicContact OE1-NZ 3.64Å; E104-I127 HydrophobicContact CB-CG2 3.98Å; E104-I127 HydrophobicContact CG-CG2 3.76Å
105L98.4Very high97.7Very high0 Ų068.3 Ų68.30%037%0.365CS..Hα-helixtrans-63.7-37.6171.8-72.7167.4000112.5F97 Q101 L102 F109 I127 V134 W137 F138F97-L105 HydrophobicContact CD1-CD1 4.17Å; F97-L105 HydrophobicContact CE1-CD1 4.41Å; Q101-L105 WeakPolarHBondContact O-CB 3.31Å; Q101-L105 WeakPolarHBondContact O-CD1 3.47Å; Q101-L105 VanDerWaalsContact O-CG 3.23Å; Q101-L105 WeakPolarHBondContact O-CG 3.34Å; Q101-L105 PolarHBondContact O-N 3.38Å; Q101-L105 VanDerWaalsContact O-N 3.12Å; L102-L105 PolarHBondContact O-N 3.1Å; L105-F109 WeakPolarHBondContact O-CB 3.38Å; L105-F109 PolarHBondContact O-N 3.19Å; L105-F109 VanDerWaalsContact O-N 3.1Å; L105-I127 HydrophobicContact CD1-CD1 4.03Å; L105-I127 HydrophobicContact CD2-CD1 3.71Å; L105-I127 HydrophobicContact CG-CD1 3.72Å; L105-V134 HydrophobicContact CD2-CG1 3.94Å; L105-V134 HydrophobicContact CD2-CG2 4.41Å; L105-W137 HydrophobicContact CB-CD2 4.08Å; L105-W137 HydrophobicContact CB-CE3 4.02Å; L105-W137 HydrophobicContact CB-CH2 3.77Å; L105-W137 HydrophobicContact CB-CZ2 3.81Å; L105-W137 HydrophobicContact CB-CZ3 3.87Å; L105-W137 HydrophobicContact CD1-CD2 3.96Å; L105-W137 HydrophobicContact CD1-CG 3.94Å; L105-W137 HydrophobicContact CD2-CD2 4.41Å; L105-W137 HydrophobicContact CD2-CE3 4.24Å; L105-W137 HydrophobicContact CG-CD2 4.39Å; L105-F138 HydrophobicContact CD2-CD2 4.42Å; L105-F138 HydrophobicContact CD2-CE2 3.81Å
106E98.3Very high97.9Very high83 Ų8370.5 Ų70.539%0.38838%0.375SS..Hα-helixtrans-78-29.1177.1-71.8-175.2158.700112.9L102 K103 E104 F109 A110 W137 R141L102-E106 WeakPolarHBondContact O-CB 3.42Å; L102-E106 WeakPolarHBondContact O-CG 3.19Å; L102-E106 PolarHBondContact O-N 2.89Å; K103-E106 PolarHBondContact O-N 3.1Å; E104-E106 VanDerWaalsContact C-N 3.35Å; E106-F109 PolarHBondContact O-N 2.91Å; E106-A110 PolarHBondContact O-N 2.89Å; E106-A110 VanDerWaalsContact O-N 3.1Å; E106-W137 HydrophobicContact CG-CH2 3.58Å; E106-W137 HydrophobicContact CG-CZ2 3.66Å; E106-R141 IonicContact OE1-CZ 3.46Å; E106-R141 IonicContact OE1-NE 2.72Å; E106-R141 IonicContact OE1-NH1 3.69Å; E106-R141 PolarHBondContact OE1-NH1 3.04Å
107R98.3Very high98Very high111 Ų11167.3 Ų67.342%0.41935%0.353SS..Hα-helixtrans-58.8-56.1170.6-169.8-173.969.970.49111K103 E104 F109 A110 E111K103-R107 WeakPolarHBondContact O-CB 3.44Å; K103-R107 PolarHBondContact O-N 3.43Å; E104-R107 PolarHBondContact O-N 3.12Å; E104-R107 IonicContact OE1-CZ 3.18Å; E104-R107 IonicContact OE1-NE 3.65Å; E104-R107 PolarHBondContact OE1-NE 3.24Å; E104-R107 IonicContact OE1-NH2 2.6Å; E104-R107 PolarHBondContact OE1-NH2 3.45Å; E104-R107 IonicContact OE2-CZ 2.75Å; E104-R107 IonicContact OE2-NE 3.53Å; E104-R107 PolarHBondContact OE2-NE 2.74Å; E104-R107 IonicContact OE2-NH2 2.73Å; R107-F109 VanDerWaalsContact C-N 3.29Å; R107-F109 PolarHBondContact O-N 3.02Å; R107-A110 WeakPolarHBondContact O-CB 3.34Å; R107-A110 PolarHBondContact O-N 3.27Å; R107-A110 VanDerWaalsContact O-N 3.09Å; R107-E111 IonicContact CZ-OE1 2.75Å; R107-E111 IonicContact NH1-OE1 2.72Å; R107-E111 PolarHBondContact NH1-OE1 2.98Å; R107-E111 PolarHBondContact O-N 3.31Å
108V98Very high98.1Very high4 Ų472.3 Ų72.32%0.02437%0.371CS..Hα-helixtrans-69.1-27.4178.3177.80000112.1E104 A110 E111 T112 P115 T119 L123 F138E104-V108 PolarHBondContact O-N 3.39Å; V108-A110 VanDerWaalsContact C-N 3.26Å; V108-A110 PolarHBondContact O-N 2.82Å; V108-E111 PolarHBondContact O-N 3.1Å; V108-T112 HydrophobicContact CG1-CG2 4.39Å; V108-T112 PolarHBondContact O-N 3.05Å; V108-T112 VanDerWaalsContact O-O 3.12Å; V108-P115 HydrophobicContact CG1-CB 4.37Å; V108-T119 HydrophobicContact CG1-CG2 4.13Å; V108-L123 HydrophobicContact CB-CD1 3.97Å; V108-L123 HydrophobicContact CG1-CD1 3.93Å; V108-L123 HydrophobicContact CG2-CD1 4.09Å; V108-L123 HydrophobicContact CG2-CD2 3.88Å; V108-L123 HydrophobicContact CG2-CG 4.26Å; V108-F138 HydrophobicContact CB-CZ 4.39Å; V108-F138 HydrophobicContact CG1-CZ 4.27Å
109F98.4Very high98.1Very high8 Ų871.2 Ų71.24%0.03536%0.364CS..Hα-helixtrans-64.2-29.6171.5-172.2-95.5000113L105 E106 R107 T112 H113 W137 F138 R141 R142 F145L105-F109 WeakPolarHBondContact O-CB 3.38Å; L105-F109 PolarHBondContact O-N 3.19Å; L105-F109 VanDerWaalsContact O-N 3.1Å; E106-F109 PolarHBondContact O-N 2.91Å; R107-F109 VanDerWaalsContact C-N 3.29Å; R107-F109 PolarHBondContact O-N 3.02Å; F109-T112 CarbonylContact O-C 3.6Å; F109-H113 AromaticContact CD1-CD2 3.7Å; F109-H113 AromaticContact CD2-CD2 3.99Å; F109-H113 AromaticContact CE1-CD2 3.25Å; F109-H113 WeakPolarHBondContact CE1-CD2 3.23Å; F109-H113 AromaticContact CE1-NE2 3.45Å; F109-H113 WeakPolarHBondContact CE1-NE2 3.39Å; F109-H113 HydrophobicContact CE2-CB 4.15Å; F109-H113 AromaticContact CE2-CD2 3.58Å; F109-H113 HydrophobicContact CZ-CB 4.4Å; F109-H113 AromaticContact CZ-CD2 3.18Å; F109-H113 WeakPolarHBondContact CZ-CD2 3.43Å; F109-H113 AromaticContact CZ-CG 3.94Å; F109-H113 AromaticContact CZ-NE2 3.72Å; F109-H113 PolarHBondContact O-CD2 3.38Å; F109-W137 HydrophobicContact CB-CH2 4.35Å; F109-W137 HydrophobicContact CB-CZ3 4.24Å; F109-W137 HydrophobicContact CD2-CZ3 4.37Å; F109-F138 HydrophobicContact CB-CE1 3.94Å; F109-F138 HydrophobicContact CB-CZ 4.38Å; F109-F138 AromaticContact CD2-CD1 3.81Å; F109-F138 HydrophobicContact CD2-CD1 3.81Å; F109-F138 AromaticContact CD2-CE1 3.76Å; F109-F138 HydrophobicContact CD2-CE1 3.76Å; F109-F138 HydrophobicContact CG-CE1 4.36Å; F109-R141 HydrophobicContact CD1-CG 3.88Å; F109-R141 HydrophobicContact CD2-CB 4.2Å; F109-R141 HydrophobicContact CD2-CG 3.47Å; F109-R141 VanDerWaalsContact CD2-CG 3.47Å; F109-R141 HydrophobicContact CE1-CG 3.78Å; F109-R141 HydrophobicContact CE2-CB 3.99Å; F109-R141 HydrophobicContact CE2-CG 3.37Å; F109-R141 HydrophobicContact CG-CG 3.74Å; F109-R141 HydrophobicContact CZ-CB 4.46Å; F109-R141 HydrophobicContact CZ-CG 3.53Å; F109-R142 HydrophobicContact CE2-CG 3.92Å; F109-F145 HydrophobicContact CE1-CD2 4.28Å; F109-F145 HydrophobicContact CZ-CB 4.32Å; F109-F145 HydrophobicContact CZ-CD2 4.43Å; F109-F145 HydrophobicContact CZ-CG 4.48Å
110A98Very high98.1Very high87 Ų8769.2 Ų69.272%0.71934%0.344SS*.Hα-helixtrans-74.9-30.4174.600000112.8E106 R107 V108E106-A110 PolarHBondContact O-N 2.89Å; E106-A110 VanDerWaalsContact O-N 3.1Å; R107-A110 WeakPolarHBondContact O-CB 3.34Å; R107-A110 PolarHBondContact O-N 3.27Å; R107-A110 VanDerWaalsContact O-N 3.09Å; V108-A110 VanDerWaalsContact C-N 3.26Å; V108-A110 PolarHBondContact O-N 2.82Å
111E97.5Very high98.1Very high125 Ų12570 Ų7058%0.58434%0.336SS*.Hα-helixtrans-72.9-47.6171.2-68.8163-135.600111.8R107 V108R107-E111 IonicContact CZ-OE1 2.75Å; R107-E111 IonicContact NH1-OE1 2.72Å; R107-E111 PolarHBondContact NH1-OE1 2.98Å; R107-E111 PolarHBondContact O-N 3.31Å; V108-E111 PolarHBondContact O-N 3.1Å
112T97.6Very high98.1Very high55 Ų5573.9 Ų73.934%0.33735%0.354SS..  trans-150.1126.51781780000112.6V108 F109 Y114 P115V108-T112 HydrophobicContact CG1-CG2 4.39Å; V108-T112 PolarHBondContact O-N 3.05Å; V108-T112 VanDerWaalsContact O-O 3.12Å; F109-T112 CarbonylContact O-C 3.6Å; T112-Y114 PolarHBondContact O-N 3.11Å; T112-Y114 VanDerWaalsContact OG1-C 3.3Å; T112-Y114 PolarHBondContact OG1-N 3.27Å; T112-Y114 PolarHBondContact OG1-O 2.86Å; T112-P115 HydrophobicContact CG2-CB 4.01Å
113H97.8Very high98.1Very high68 Ų6871.3 Ų71.332%0.31534%0.34SS..SBendtrans-65.4-18170-62.5150.5000112.9F109 R142 F145F109-H113 AromaticContact CD1-CD2 3.7Å; F109-H113 AromaticContact CD2-CD2 3.99Å; F109-H113 AromaticContact CE1-CD2 3.25Å; F109-H113 WeakPolarHBondContact CE1-CD2 3.23Å; F109-H113 AromaticContact CE1-NE2 3.45Å; F109-H113 WeakPolarHBondContact CE1-NE2 3.39Å; F109-H113 HydrophobicContact CE2-CB 4.15Å; F109-H113 AromaticContact CE2-CD2 3.58Å; F109-H113 HydrophobicContact CZ-CB 4.4Å; F109-H113 AromaticContact CZ-CD2 3.18Å; F109-H113 WeakPolarHBondContact CZ-CD2 3.43Å; F109-H113 AromaticContact CZ-CG 3.94Å; F109-H113 AromaticContact CZ-NE2 3.72Å; F109-H113 PolarHBondContact O-CD2 3.38Å; H113-R142 HydrophobicContact CB-CG 4.45Å; H113-R142 VanDerWaalsContact O-CD 3.26Å; H113-R142 WeakPolarHBondContact O-CD 3.38Å; H113-R142 PolarHBondContact O-NH1 2.78Å; H113-F145 AromaticContact CE1-CZ 3.76Å
114Y98.3Very high98.1Very high155 Ų15564.5 Ų64.561%0.60831%0.311SS*.SBendtrans-132.371.8-175.1-66.5-99.8000111.1T112T112-Y114 PolarHBondContact O-N 3.11Å; T112-Y114 VanDerWaalsContact OG1-C 3.3Å; T112-Y114 PolarHBondContact OG1-N 3.27Å; T112-Y114 PolarHBondContact OG1-O 2.86Å
115P97.8Very high98.1Very high7 Ų769.7 Ų69.75%0.04534%0.339CS..  trans-67.2140.8175.628.6-36000111.5V108 T112 T119 R120 F138V108-P115 HydrophobicContact CG1-CB 4.37Å; T112-P115 HydrophobicContact CG2-CB 4.01Å; P115-T119 HydrophobicContact CB-CG2 3.95Å; P115-R120 HydrophobicContact CB-CG 4.02Å; P115-R120 HydrophobicContact CG-CG 3.8Å; P115-R120 PolarHBondContact O-NH1 3.27Å; P115-F138 VanDerWaalsContact CD-CD1 3.46Å; P115-F138 HydrophobicContact CG-CD1 3.64Å; P115-F138 HydrophobicContact CG-CD2 4.13Å; P115-F138 HydrophobicContact CG-CE1 3.52Å; P115-F138 HydrophobicContact CG-CE2 4.03Å; P115-F138 HydrophobicContact CG-CG 3.96Å; P115-F138 HydrophobicContact CG-CZ 3.74Å
116D98.3Very high98.1Very high91 Ų9174.8 Ų74.849%0.48736%0.362SS..  trans-73.6169.5178.8-173.637.9000112.7Y118 T119 R120D116-Y118 PolarHBondContact O-N 3.23Å; D116-Y118 WeakPolarHBondContact OD2-CD2 3.39Å; D116-T119 PolarHBondContact O-N 3.21Å; D116-R120 WeakPolarHBondContact O-CG 3.4Å; D116-R120 PolarHBondContact O-N 3.3Å; D116-R120 PolarHBondContact O-NH1 3.33Å
117I98Very high98Very high55 Ų5571.4 Ų71.428%0.28235%0.346SS..Hα-helixtrans-51.2-51.2-178.2-176.161.3000111.9T119 R120 E121 E131I117-T119 VanDerWaalsContact C-N 3.35Å; I117-T119 PolarHBondContact O-N 3.44Å; I117-R120 CarbonylContact O-C 3.47Å; I117-R120 PolarHBondContact O-N 3.12Å; I117-E121 HydrophobicContact CD1-CG 4.2Å; I117-E121 HydrophobicContact CG1-CG 4.41Å; I117-E121 WeakPolarHBondContact O-CG 3.43Å; I117-E121 PolarHBondContact O-N 3.01Å; I117-E131 HydrophobicContact CD1-CG 3.92Å
118Y98.3Very high98Very high170 Ų17073.1 Ų73.167%0.66736%0.364SS*.Hα-helixtrans-61.7-41.2-178.8-56.2-65.9000112.4D116 R120 E121 E122D116-Y118 PolarHBondContact O-N 3.23Å; D116-Y118 WeakPolarHBondContact OD2-CD2 3.39Å; Y118-R120 VanDerWaalsContact C-N 3.33Å; Y118-R120 PolarHBondContact O-N 3.37Å; Y118-E121 PolarHBondContact O-N 3.08Å; Y118-E122 PolarHBondContact O-N 2.92Å
119T98Very high98Very high52 Ų5274.5 Ų74.532%0.31937%0.371SS..Hα-helixtrans-65-35.9175.4-43.30000112V108 P115 D116 I117 L123V108-T119 HydrophobicContact CG1-CG2 4.13Å; P115-T119 HydrophobicContact CB-CG2 3.95Å; D116-T119 PolarHBondContact O-N 3.21Å; I117-T119 VanDerWaalsContact C-N 3.35Å; I117-T119 PolarHBondContact O-N 3.44Å; T119-L123 WeakPolarHBondContact O-CB 3.44Å; T119-L123 WeakPolarHBondContact O-CG 3.44Å; T119-L123 PolarHBondContact O-N 3.2Å; T119-L123 VanDerWaalsContact O-N 3.07Å
120R98.5Very high97.9Very high41 Ų4178.3 Ų78.316%0.15540%0.395CS..Hα-helixtrans-74.7-30.6176.6-64.7-171.5-43-85.7-4.7112.4P115 D116 I117 Y118 A124 E131 V134P115-R120 HydrophobicContact CB-CG 4.02Å; P115-R120 HydrophobicContact CG-CG 3.8Å; P115-R120 PolarHBondContact O-NH1 3.27Å; D116-R120 WeakPolarHBondContact O-CG 3.4Å; D116-R120 PolarHBondContact O-N 3.3Å; D116-R120 PolarHBondContact O-NH1 3.33Å; I117-R120 CarbonylContact O-C 3.47Å; I117-R120 PolarHBondContact O-N 3.12Å; Y118-R120 VanDerWaalsContact C-N 3.33Å; Y118-R120 PolarHBondContact O-N 3.37Å; R120-A124 WeakPolarHBondContact O-CB 3.26Å; R120-A124 PolarHBondContact O-N 2.99Å; R120-E131 HydrophobicContact CB-CG 4.07Å; R120-E131 IonicContact CZ-OE1 3.98Å; R120-E131 IonicContact NE-OE1 3.17Å; R120-E131 PolarHBondContact NE-OE1 3.21Å; R120-E131 IonicContact NH2-OE1 2.64Å; R120-E131 PolarHBondContact NH2-OE1 2.87Å; R120-V134 HydrophobicContact CB-CG1 4.11Å; R120-V134 HydrophobicContact CG-CG1 4.14Å
121E98.5Very high98Very high88 Ų8876.1 Ų76.141%0.41137%0.37SS..Hα-helixtrans-71.3-46.6173.5-72.2175.3161.400111.6I117 Y118 L123 A124 L125 E131I117-E121 HydrophobicContact CD1-CG 4.2Å; I117-E121 HydrophobicContact CG1-CG 4.41Å; I117-E121 WeakPolarHBondContact O-CG 3.43Å; I117-E121 PolarHBondContact O-N 3.01Å; Y118-E121 PolarHBondContact O-N 3.08Å; E121-L123 VanDerWaalsContact C-N 3.35Å; E121-L123 PolarHBondContact O-N 3.13Å; E121-A124 WeakPolarHBondContact O-CB 3.48Å; E121-A124 PolarHBondContact O-N 2.99Å; E121-A124 VanDerWaalsContact O-N 3.15Å; E121-L125 WeakPolarHBondContact O-CG 3.42Å; E121-L125 PolarHBondContact O-N 2.64Å; E121-E131 HydrophobicContact CG-CB 4.43Å; E121-E131 HydrophobicContact CG-CG 4.11Å
122E98.1Very high98Very high108 Ų10872.1 Ų72.151%0.50536%0.358SS..Hα-helixtrans-59.1-45.6174-165.4-147.1137.300111.3Y118 A124 L125 K126Y118-E122 PolarHBondContact O-N 2.92Å; E122-A124 PolarHBondContact O-N 2.95Å; E122-L125 PolarHBondContact O-N 2.99Å; E122-K126 VanDerWaalsContact O-CB 3.3Å; E122-K126 WeakPolarHBondContact O-CB 3.4Å; E122-K126 PolarHBondContact O-N 3.21Å; E122-K126 WeakPolarHBondContact OE1-CE 3.31Å; E122-K126 IonicContact OE1-NZ 2.65Å; E122-K126 PolarHBondContact OE1-NZ 2.92Å
123L98.1Very high98Very high3 Ų373.8 Ų73.82%0.01636%0.358CS..Hα-helixtrans-58.5-45.2172.9-87.2176000112.5E104 V108 T119 E121 L125 K126 I127 V134 F138E104-L123 HydrophobicContact CG-CD2 3.71Å; V108-L123 HydrophobicContact CB-CD1 3.97Å; V108-L123 HydrophobicContact CG1-CD1 3.93Å; V108-L123 HydrophobicContact CG2-CD1 4.09Å; V108-L123 HydrophobicContact CG2-CD2 3.88Å; V108-L123 HydrophobicContact CG2-CG 4.26Å; T119-L123 WeakPolarHBondContact O-CB 3.44Å; T119-L123 WeakPolarHBondContact O-CG 3.44Å; T119-L123 PolarHBondContact O-N 3.2Å; T119-L123 VanDerWaalsContact O-N 3.07Å; E121-L123 VanDerWaalsContact C-N 3.35Å; E121-L123 PolarHBondContact O-N 3.13Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L125 PolarHBondContact O-N 2.79Å; L123-K126 PolarHBondContact O-N 3.38Å; L123-I127 WeakPolarHBondContact O-CG1 3.45Å; L123-I127 PolarHBondContact O-N 3.13Å; L123-I127 VanDerWaalsContact O-N 3.13Å; L123-V134 HydrophobicContact CB-CG1 4.39Å; L123-V134 HydrophobicContact CD1-CG1 4.26Å; L123-F138 HydrophobicContact CD1-CE2 4.02Å; L123-F138 HydrophobicContact CD1-CZ 4.26Å
124A98.3Very high98Very high6 Ų670.5 Ų70.55%0.0534%0.343CS..Hα-helixtrans-60-43.3-178.100000111.6R120 E121 E122 D128 L129 V134R120-A124 WeakPolarHBondContact O-CB 3.26Å; R120-A124 PolarHBondContact O-N 2.99Å; E121-A124 WeakPolarHBondContact O-CB 3.48Å; E121-A124 PolarHBondContact O-N 2.99Å; E121-A124 VanDerWaalsContact O-N 3.15Å; E122-A124 PolarHBondContact O-N 2.95Å; A124-D128 PolarHBondContact O-N 3Å; A124-L129 CarbonylContact C-O 3.54Å; A124-L129 WeakPolarHBondContact CB-O 3.3Å; A124-L129 PolarHBondContact O-N 3.37Å; A124-L129 VanDerWaalsContact O-O 3.08Å; A124-V134 HydrophobicContact CB-CG2 3.99Å
125L98.2Very high98Very high146 Ų14667 Ų6776%0.76433%0.332SS*.Hα-helixtrans-64.4-45.1173.2-65.7172.8000112.1E121 E122 L123 I127E121-L125 WeakPolarHBondContact O-CG 3.42Å; E121-L125 PolarHBondContact O-N 2.64Å; E122-L125 PolarHBondContact O-N 2.99Å; L123-L125 VanDerWaalsContact C-N 3.32Å; L123-L125 PolarHBondContact O-N 2.79Å; L125-I127 PolarHBondContact O-N 3.37Å
126K97.4Very high98Very high107 Ų10769.5 Ų69.547%0.46535%0.347SS..Hα-helixtrans-65.1-20.6-176.8-171178.6-63.8172.50114.2E104 E122 L123E104-K126 HydrophobicContact CG-CD 4.18Å; E104-K126 WeakPolarHBondContact OE1-CD 3.31Å; E104-K126 IonicContact OE1-NZ 3.64Å; E122-K126 VanDerWaalsContact O-CB 3.3Å; E122-K126 WeakPolarHBondContact O-CB 3.4Å; E122-K126 PolarHBondContact O-N 3.21Å; E122-K126 WeakPolarHBondContact OE1-CE 3.31Å; E122-K126 IonicContact OE1-NZ 2.65Å; E122-K126 PolarHBondContact OE1-NZ 2.92Å; L123-K126 PolarHBondContact O-N 3.38Å
127I97.5Very high98Very high12 Ų1266.3 Ų66.36%0.06233%0.328CS..THydrogen-bonded Turntrans-125.114.1-17379.5-166.8000113.9Q101 E104 L105 L123 L125 L129 V134Q101-I127 HydrophobicContact CG-CB 4.13Å; Q101-I127 PolarHBondContact NE2-O 2.97Å; E104-I127 HydrophobicContact CB-CG2 3.98Å; E104-I127 HydrophobicContact CG-CG2 3.76Å; L105-I127 HydrophobicContact CD1-CD1 4.03Å; L105-I127 HydrophobicContact CD2-CD1 3.71Å; L105-I127 HydrophobicContact CG-CD1 3.72Å; L123-I127 WeakPolarHBondContact O-CG1 3.45Å; L123-I127 PolarHBondContact O-N 3.13Å; L123-I127 VanDerWaalsContact O-N 3.13Å; L125-I127 PolarHBondContact O-N 3.37Å; I127-L129 HydrophobicContact CD1-CD1 3.89Å; I127-L129 HydrophobicContact CG1-CB 4.17Å; I127-L129 HydrophobicContact CG1-CD1 3.84Å; I127-L129 HydrophobicContact CG1-CG 4Å; I127-V134 HydrophobicContact CD1-CG2 4.27Å
128D97.9Very high98.1Very high148 Ų14863.8 Ų63.879%0.79132%0.315SS*.THydrogen-bonded Turntrans54.752.4-179.9-64.7-54.9000114.3A124A124-D128 PolarHBondContact O-N 3Å
129L97Very high98.1Very high33 Ų3360.1 Ų60.117%0.17330%0.304CS..  trans-134.1171.6177.1-68179.1000111.5T95 F97 A124 I127 R133T95-L129 HydrophobicContact CG2-CD2 3.96Å; F97-L129 HydrophobicContact CD1-CD1 3.73Å; F97-L129 HydrophobicContact CE1-CD1 3.68Å; A124-L129 CarbonylContact C-O 3.54Å; A124-L129 WeakPolarHBondContact CB-O 3.3Å; A124-L129 PolarHBondContact O-N 3.37Å; A124-L129 VanDerWaalsContact O-O 3.08Å; I127-L129 HydrophobicContact CD1-CD1 3.89Å; I127-L129 HydrophobicContact CG1-CB 4.17Å; I127-L129 HydrophobicContact CG1-CD1 3.84Å; I127-L129 HydrophobicContact CG1-CG 4Å; L129-R133 HydrophobicContact CB-CB 4.29Å; L129-R133 HydrophobicContact CD1-CB 4.41Å; L129-R133 HydrophobicContact CD2-CG 4.49Å
130T98Very high98.1Very high87 Ų8762.3 Ų62.353%0.53431%0.314SS..  trans-91.5151.6166.6720000110.7A132 R133 V134T130-A132 PolarHBondContact O-N 2.91Å; T130-R133 WeakPolarHBondContact O-CA 3.18Å; T130-R133 WeakPolarHBondContact O-CB 3.45Å; T130-R133 PolarHBondContact O-N 3.05Å; T130-V134 PolarHBondContact O-N 3.11Å
131E98.1Very high98.1Very high42 Ų4264 Ų6420%0.19632%0.32CS..Hα-helixtrans-48-45.3175.3-172.7-75.4160.500110.9I117 R120 E121 R133 V134 Q135I117-E131 HydrophobicContact CD1-CG 3.92Å; R120-E131 HydrophobicContact CB-CG 4.07Å; R120-E131 IonicContact CZ-OE1 3.98Å; R120-E131 IonicContact NE-OE1 3.17Å; R120-E131 PolarHBondContact NE-OE1 3.21Å; R120-E131 IonicContact NH2-OE1 2.64Å; R120-E131 PolarHBondContact NH2-OE1 2.87Å; E121-E131 HydrophobicContact CG-CB 4.43Å; E121-E131 HydrophobicContact CG-CG 4.11Å; E131-R133 PolarHBondContact O-N 3.33Å; E131-V134 CarbonylContact O-C 3.51Å; E131-V134 WeakPolarHBondContact O-CA 3.48Å; E131-V134 WeakPolarHBondContact O-CB 3.42Å; E131-V134 PolarHBondContact O-N 3.23Å; E131-Q135 WeakPolarHBondContact O-CB 3.4Å; E131-Q135 PolarHBondContact O-N 3.14Å
132A97.6Very high98Very high41 Ų4162.3 Ų62.334%0.33931%0.31SS..Hα-helixtrans-68.2-2.817900000114.8T130 V136T130-A132 PolarHBondContact O-N 2.91Å; A132-V136 VanDerWaalsContact O-CG2 3.29Å; A132-V136 WeakPolarHBondContact O-CG2 3.45Å
133R97.9Very high98Very high89 Ų8959.5 Ų59.534%0.33631%0.305SS..Hα-helixtrans-90.1-45.2162.7-57.1-59.974165.6-0.9110.6T95 L129 T130 E131 V136 W137T95-R133 WeakPolarHBondContact OG1-CD 3.25Å; L129-R133 HydrophobicContact CB-CB 4.29Å; L129-R133 HydrophobicContact CD1-CB 4.41Å; L129-R133 HydrophobicContact CD2-CG 4.49Å; T130-R133 WeakPolarHBondContact O-CA 3.18Å; T130-R133 WeakPolarHBondContact O-CB 3.45Å; T130-R133 PolarHBondContact O-N 3.05Å; E131-R133 PolarHBondContact O-N 3.33Å; R133-V136 PolarHBondContact O-N 3.08Å; R133-W137 WeakPolarHBondContact O-CB 3.47Å; R133-W137 PolarHBondContact O-N 3.38Å
134V98.3Very high98Very high0 Ų066.1 Ų66.10%033%0.334CS..Hα-helixtrans-59.5-51.4176.1-178.30000110.3L105 R120 L123 A124 I127 T130 E131 V136 W137 F138L105-V134 HydrophobicContact CD2-CG1 3.94Å; L105-V134 HydrophobicContact CD2-CG2 4.41Å; R120-V134 HydrophobicContact CB-CG1 4.11Å; R120-V134 HydrophobicContact CG-CG1 4.14Å; L123-V134 HydrophobicContact CB-CG1 4.39Å; L123-V134 HydrophobicContact CD1-CG1 4.26Å; A124-V134 HydrophobicContact CB-CG2 3.99Å; I127-V134 HydrophobicContact CD1-CG2 4.27Å; T130-V134 PolarHBondContact O-N 3.11Å; E131-V134 CarbonylContact O-C 3.51Å; E131-V134 WeakPolarHBondContact O-CA 3.48Å; E131-V134 WeakPolarHBondContact O-CB 3.42Å; E131-V134 PolarHBondContact O-N 3.23Å; V134-V136 VanDerWaalsContact C-N 3.29Å; V134-V136 PolarHBondContact O-N 3.45Å; V134-W137 WeakPolarHBondContact O-CB 3.35Å; V134-W137 PolarHBondContact O-N 2.96Å; V134-F138 HydrophobicContact CG1-CD2 3.74Å; V134-F138 HydrophobicContact CG1-CE2 3.81Å; V134-F138 WeakPolarHBondContact O-CD2 3.49Å; V134-F138 PolarHBondContact O-N 3.39Å
135Q98.3Very high97.9Very high82 Ų8269.2 Ų69.238%0.38335%0.347SS..Hα-helixtrans-54.2-42.2176.7-164-144.735.200112.6E131 Q139E131-Q135 WeakPolarHBondContact O-CB 3.4Å; E131-Q135 PolarHBondContact O-N 3.14Å; Q135-Q139 VanDerWaalsContact O-CG 3.3Å; Q135-Q139 WeakPolarHBondContact O-CG 3.46Å; Q135-Q139 PolarHBondContact O-N 3.48Å; Q135-Q139 PolarHBondContact O-NE2 2.9Å
136V98.3Very high97.8Very high59 Ų5968.9 Ų68.936%0.35834%0.335SS..Hα-helixtrans-73.7-36.1177.1170.50000111.4A132 R133 V134 N140A132-V136 VanDerWaalsContact O-CG2 3.29Å; A132-V136 WeakPolarHBondContact O-CG2 3.45Å; R133-V136 PolarHBondContact O-N 3.08Å; V134-V136 VanDerWaalsContact C-N 3.29Å; V134-V136 PolarHBondContact O-N 3.45Å; V136-N140 PolarHBondContact O-N 3.45Å; V136-N140 VanDerWaalsContact O-N 3.11Å; V136-N140 PolarHBondContact O-ND2 3.15Å
137W98.3Very high97.7Very high24 Ų2471.5 Ų71.59%0.09135%0.347CS..Hα-helixtrans-62.5-49174.2-174.5102.6000111F97 L102 L105 E106 F109 R133 V134 Q139 N140 R141F97-W137 HydrophobicContact CE1-CB 4.46Å; F97-W137 AromaticContact CE2-CD1 3.81Å; F97-W137 HydrophobicContact CZ-CB 4.16Å; F97-W137 AromaticContact CZ-CD1 3.77Å; F97-W137 HydrophobicContact CZ-CG 4.37Å; L102-W137 HydrophobicContact CD2-CZ2 4.41Å; L102-W137 VanDerWaalsContact CD2-NE1 3.27Å; L105-W137 HydrophobicContact CB-CD2 4.08Å; L105-W137 HydrophobicContact CB-CE3 4.02Å; L105-W137 HydrophobicContact CB-CH2 3.77Å; L105-W137 HydrophobicContact CB-CZ2 3.81Å; L105-W137 HydrophobicContact CB-CZ3 3.87Å; L105-W137 HydrophobicContact CD1-CD2 3.96Å; L105-W137 HydrophobicContact CD1-CG 3.94Å; L105-W137 HydrophobicContact CD2-CD2 4.41Å; L105-W137 HydrophobicContact CD2-CE3 4.24Å; L105-W137 HydrophobicContact CG-CD2 4.39Å; E106-W137 HydrophobicContact CG-CH2 3.58Å; E106-W137 HydrophobicContact CG-CZ2 3.66Å; F109-W137 HydrophobicContact CB-CH2 4.35Å; F109-W137 HydrophobicContact CB-CZ3 4.24Å; F109-W137 HydrophobicContact CD2-CZ3 4.37Å; R133-W137 WeakPolarHBondContact O-CB 3.47Å; R133-W137 PolarHBondContact O-N 3.38Å; V134-W137 WeakPolarHBondContact O-CB 3.35Å; V134-W137 PolarHBondContact O-N 2.96Å; W137-Q139 PolarHBondContact O-N 2.86Å; W137-N140 PolarHBondContact O-N 2.95Å; W137-N140 VanDerWaalsContact O-N 3.1Å; W137-R141 HydrophobicContact CD2-CB 4.49Å; W137-R141 HydrophobicContact CE3-CB 4.03Å; W137-R141 HydrophobicContact CH2-CB 3.97Å; W137-R141 HydrophobicContact CH2-CG 3.67Å; W137-R141 HydrophobicContact CZ2-CB 4.44Å; W137-R141 HydrophobicContact CZ2-CG 4.34Å; W137-R141 HydrophobicContact CZ3-CB 3.76Å; W137-R141 HydrophobicContact CZ3-CG 3.79Å; W137-R141 WeakPolarHBondContact O-CB 3.49Å; W137-R141 PolarHBondContact O-N 3.24Å
138F98.6Very high97.4Very high1 Ų177 Ų770%0.00437%0.372CS..Hα-helixtrans-62.1-39.1179.3-90-91.3000112.5L105 V108 F109 P115 L123 V134 R141 R142L105-F138 HydrophobicContact CD2-CD2 4.42Å; L105-F138 HydrophobicContact CD2-CE2 3.81Å; V108-F138 HydrophobicContact CB-CZ 4.39Å; V108-F138 HydrophobicContact CG1-CZ 4.27Å; F109-F138 HydrophobicContact CB-CE1 3.94Å; F109-F138 HydrophobicContact CB-CZ 4.38Å; F109-F138 AromaticContact CD2-CD1 3.81Å; F109-F138 HydrophobicContact CD2-CD1 3.81Å; F109-F138 AromaticContact CD2-CE1 3.76Å; F109-F138 HydrophobicContact CD2-CE1 3.76Å; F109-F138 HydrophobicContact CG-CE1 4.36Å; P115-F138 VanDerWaalsContact CD-CD1 3.46Å; P115-F138 HydrophobicContact CG-CD1 3.64Å; P115-F138 HydrophobicContact CG-CD2 4.13Å; P115-F138 HydrophobicContact CG-CE1 3.52Å; P115-F138 HydrophobicContact CG-CE2 4.03Å; P115-F138 HydrophobicContact CG-CG 3.96Å; P115-F138 HydrophobicContact CG-CZ 3.74Å; L123-F138 HydrophobicContact CD1-CE2 4.02Å; L123-F138 HydrophobicContact CD1-CZ 4.26Å; V134-F138 HydrophobicContact CG1-CD2 3.74Å; V134-F138 HydrophobicContact CG1-CE2 3.81Å; V134-F138 WeakPolarHBondContact O-CD2 3.49Å; V134-F138 PolarHBondContact O-N 3.39Å; F138-R141 PolarHBondContact O-N 3.32Å; F138-R142 WeakPolarHBondContact O-CB 3.28Å; F138-R142 WeakPolarHBondContact O-CG 3.21Å; F138-R142 PolarHBondContact O-N 2.95Å
139Q98.5Very high97Very high93 Ų9374.3 Ų74.344%0.43536%0.355SS..Hα-helixtrans-58.8-47171.5-76.117176.800112.2Q135 W137 A143Q135-Q139 VanDerWaalsContact O-CG 3.3Å; Q135-Q139 WeakPolarHBondContact O-CG 3.46Å; Q135-Q139 PolarHBondContact O-N 3.48Å; Q135-Q139 PolarHBondContact O-NE2 2.9Å; W137-Q139 PolarHBondContact O-N 2.86Å; Q139-A143 WeakPolarHBondContact O-CB 3.47Å; Q139-A143 PolarHBondContact O-N 3.12Å
140N98.2Very high96.4Very high98 Ų9881.8 Ų81.852%0.52438%0.381SS..Hα-helixtrans-66.8-37.5178.1-78.8-73.3000112.6V136 W137 A143 K144V136-N140 PolarHBondContact O-N 3.45Å; V136-N140 VanDerWaalsContact O-N 3.11Å; V136-N140 PolarHBondContact O-ND2 3.15Å; W137-N140 PolarHBondContact O-N 2.95Å; W137-N140 VanDerWaalsContact O-N 3.1Å; N140-A143 PolarHBondContact O-N 2.95Å; N140-K144 PolarHBondContact O-N 3.41Å
141R98.2Very high95.6Very high78 Ų7880.4 Ų80.429%0.29438%0.378SS..Hα-helixtrans-65.5-47.4176-175.873.9-168.4177.79.2110.9E106 F109 W137 F138 A143 K144 F145E106-R141 IonicContact OE1-CZ 3.46Å; E106-R141 IonicContact OE1-NE 2.72Å; E106-R141 IonicContact OE1-NH1 3.69Å; E106-R141 PolarHBondContact OE1-NH1 3.04Å; F109-R141 HydrophobicContact CD1-CG 3.88Å; F109-R141 HydrophobicContact CD2-CB 4.2Å; F109-R141 HydrophobicContact CD2-CG 3.47Å; F109-R141 VanDerWaalsContact CD2-CG 3.47Å; F109-R141 HydrophobicContact CE1-CG 3.78Å; F109-R141 HydrophobicContact CE2-CB 3.99Å; F109-R141 HydrophobicContact CE2-CG 3.37Å; F109-R141 HydrophobicContact CG-CG 3.74Å; F109-R141 HydrophobicContact CZ-CB 4.46Å; F109-R141 HydrophobicContact CZ-CG 3.53Å; W137-R141 HydrophobicContact CD2-CB 4.49Å; W137-R141 HydrophobicContact CE3-CB 4.03Å; W137-R141 HydrophobicContact CH2-CB 3.97Å; W137-R141 HydrophobicContact CH2-CG 3.67Å; W137-R141 HydrophobicContact CZ2-CB 4.44Å; W137-R141 HydrophobicContact CZ2-CG 4.34Å; W137-R141 HydrophobicContact CZ3-CB 3.76Å; W137-R141 HydrophobicContact CZ3-CG 3.79Å; W137-R141 WeakPolarHBondContact O-CB 3.49Å; W137-R141 PolarHBondContact O-N 3.24Å; F138-R141 PolarHBondContact O-N 3.32Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-A143 PolarHBondContact O-N 3.08Å; R141-K144 PolarHBondContact O-N 3.2Å; R141-F145 PolarHBondContact O-N 2.96Å
142R98.1Very high94.8Very high51 Ų5181.5 Ų81.519%0.19239%0.394CS..Hα-helixtrans-60.6-35.6172.2-72.7-164.3-65.1-92.87.7113.3F109 H113 F138 F145 R146F109-R142 HydrophobicContact CE2-CG 3.92Å; H113-R142 HydrophobicContact CB-CG 4.45Å; H113-R142 VanDerWaalsContact O-CD 3.26Å; H113-R142 WeakPolarHBondContact O-CD 3.38Å; H113-R142 PolarHBondContact O-NH1 2.78Å; F138-R142 WeakPolarHBondContact O-CB 3.28Å; F138-R142 WeakPolarHBondContact O-CG 3.21Å; F138-R142 PolarHBondContact O-N 2.95Å; R142-F145 PolarHBondContact O-N 3.26Å; R142-R146 PolarHBondContact O-N 3.26Å; R142-R146 VanDerWaalsContact O-N 3.13Å
143A97.9Very high93.7Very high49 Ų4983.8 Ų83.841%0.40541%0.407SS..Hα-helixtrans-66.7-41.217500000112.2Q139 N140 R141 K147Q139-A143 WeakPolarHBondContact O-CB 3.47Å; Q139-A143 PolarHBondContact O-N 3.12Å; N140-A143 PolarHBondContact O-N 2.95Å; R141-A143 VanDerWaalsContact C-N 3.31Å; R141-A143 PolarHBondContact O-N 3.08Å; A143-K147 PolarHBondContact O-N 3.47Å
144K97Very high92.3Very high142 Ų14282.4 Ų82.462%0.61742%0.415SS*.Hα-helixtrans-65-39.4172.3-74.9-176.5176.2-174.10112.6N140 R141 K147 Q148N140-K144 PolarHBondContact O-N 3.41Å; R141-K144 PolarHBondContact O-N 3.2Å; K144-K147 PolarHBondContact O-N 3.45Å; K144-Q148 WeakPolarHBondContact O-CG 3.29Å; K144-Q148 PolarHBondContact O-N 3.49Å; K144-Q148 VanDerWaalsContact O-N 3.15Å; K144-Q148 PolarHBondContact O-NE2 3.22Å
145F96.3Very high90.5Very high72 Ų7290.6 Ų90.632%0.31645%0.451SS..Hα-helixtrans-58.9-58.3178-172.3-94.9000110.9F109 H113 R141 R142 K147 Q148 E149F109-F145 HydrophobicContact CE1-CD2 4.28Å; F109-F145 HydrophobicContact CZ-CB 4.32Å; F109-F145 HydrophobicContact CZ-CD2 4.43Å; F109-F145 HydrophobicContact CZ-CG 4.48Å; H113-F145 AromaticContact CE1-CZ 3.76Å; R141-F145 PolarHBondContact O-N 2.96Å; R142-F145 PolarHBondContact O-N 3.26Å; F145-K147 PolarHBondContact O-N 2.96Å; F145-K147 VanDerWaalsContact O-N 3.08Å; F145-Q148 WeakPolarHBondContact O-CB 3.48Å; F145-Q148 PolarHBondContact O-N 3.44Å; F145-E149 HydrophobicContact CD1-CG 4.28Å; F145-E149 WeakPolarHBondContact CD1-OE2 3.44Å; F145-E149 HydrophobicContact CE1-CG 4.06Å; F145-E149 WeakPolarHBondContact CE1-OE1 2.93Å; F145-E149 WeakPolarHBondContact CE1-OE2 3.33Å; F145-E149 PolarHBondContact O-N 3.44Å; F145-E149 VanDerWaalsContact O-N 3.14Å
146R96.3Very high88.5Confident139 Ų13989.6 Ų89.653%0.52546%0.463SS..Hα-helixtrans-59.3-25.2177.9-65.5-173-61.3164.31.9114.8R142 E149 R150R142-R146 PolarHBondContact O-N 3.26Å; R142-R146 VanDerWaalsContact O-N 3.13Å; R146-E149 VanDerWaalsContact CA-OE2 3.28Å; R146-E149 WeakPolarHBondContact CA-OE2 3.32Å; R146-R150 WeakPolarHBondContact O-CG 3.21Å; R146-R150 PolarHBondContact O-N 3.33Å
147K95.1Very high86.4Confident162 Ų16291.3 Ų91.370%0.70448%0.483SS*.Hα-helixtrans-74.7-35.4173-172.4174.1-179.61790112.5A143 K144 F145 A151A143-K147 PolarHBondContact O-N 3.47Å; K144-K147 PolarHBondContact O-N 3.45Å; F145-K147 PolarHBondContact O-N 2.96Å; F145-K147 VanDerWaalsContact O-N 3.08Å; K147-A151 WeakPolarHBondContact O-CB 3.14Å; K147-A151 PolarHBondContact O-N 2.61Å
148Q92.5Very high84.1Confident126 Ų12693.3 Ų93.359%0.58951%0.505SS*.Hα-helixtrans-72.2-43.1178.6-73.7165.1103.800111.4K144 F145 R150 A151 A152K144-Q148 WeakPolarHBondContact O-CG 3.29Å; K144-Q148 PolarHBondContact O-N 3.49Å; K144-Q148 VanDerWaalsContact O-N 3.15Å; K144-Q148 PolarHBondContact O-NE2 3.22Å; F145-Q148 WeakPolarHBondContact O-CB 3.48Å; F145-Q148 PolarHBondContact O-N 3.44Å; Q148-R150 PolarHBondContact O-N 3.2Å; Q148-A151 PolarHBondContact O-N 3.25Å; Q148-A151 VanDerWaalsContact O-N 3.12Å; Q148-A152 PolarHBondContact O-N 3.09Å
149E88.1Confident81.5Confident92 Ų9296.7 Ų96.743%0.4354%0.539SS..Hα-helixtrans-54.2-53.3174.9-64.2174114.300111.2F145 R146 A151 A152 S153F145-E149 HydrophobicContact CD1-CG 4.28Å; F145-E149 WeakPolarHBondContact CD1-OE2 3.44Å; F145-E149 HydrophobicContact CE1-CG 4.06Å; F145-E149 WeakPolarHBondContact CE1-OE1 2.93Å; F145-E149 WeakPolarHBondContact CE1-OE2 3.33Å; F145-E149 PolarHBondContact O-N 3.44Å; F145-E149 VanDerWaalsContact O-N 3.14Å; R146-E149 VanDerWaalsContact CA-OE2 3.28Å; R146-E149 WeakPolarHBondContact CA-OE2 3.32Å; E149-A151 VanDerWaalsContact C-N 3.26Å; E149-A151 PolarHBondContact O-N 3.34Å; E149-A152 WeakPolarHBondContact O-CB 3.27Å; E149-A152 PolarHBondContact O-N 3.25Å; E149-S153 PolarHBondContact O-N 3.05Å; E149-S153 PolarHBondContact O-OG 2.75Å
150R84.1Confident79.2Confident191 Ų19196.5 Ų96.572%0.72155%0.554SS**Hα-helixtrans-58.8-35.6177.5-69.5176.5-178.7-155.9-2.9113.1R146 Q148 A154R146-R150 WeakPolarHBondContact O-CG 3.21Å; R146-R150 PolarHBondContact O-N 3.33Å; Q148-R150 PolarHBondContact O-N 3.2Å; R150-A154 VanDerWaalsContact O-CB 3.32Å; R150-A154 WeakPolarHBondContact O-CB 3.45Å; R150-A154 PolarHBondContact O-N 3.4Å
151A82.4Confident76.5Confident57 Ų5798.5 Ų98.547%0.47157%0.57SS.*Hα-helixtrans-73-28.9177.100000113K147 Q148 E149 K155K147-A151 WeakPolarHBondContact O-CB 3.14Å; K147-A151 PolarHBondContact O-N 2.61Å; Q148-A151 PolarHBondContact O-N 3.25Å; Q148-A151 VanDerWaalsContact O-N 3.12Å; E149-A151 VanDerWaalsContact C-N 3.26Å; E149-A151 PolarHBondContact O-N 3.34Å; A151-K155 PolarHBondContact O-N 3.49Å
152A80.3Confident73.6Confident66 Ų6698.5 Ų98.555%0.54559%0.594SS.*Hα-helixtrans-71.8-49.1171.500000111Q148 E149 A154 K155 G156Q148-A152 PolarHBondContact O-N 3.09Å; E149-A152 WeakPolarHBondContact O-CB 3.27Å; E149-A152 PolarHBondContact O-N 3.25Å; A152-A154 VanDerWaalsContact C-N 3.31Å; A152-A154 PolarHBondContact O-N 3.03Å; A152-K155 PolarHBondContact O-N 3.5Å; A152-G156 PolarHBondContact O-N 3.43Å
153S74.3Confident71.2Confident88 Ų88102.7 Ų102.762%0.61563%0.625SS**Hα-helixtrans-58.5-40.5177.1-51.80000112.5E149 K155 G156 A157E149-S153 PolarHBondContact O-N 3.05Å; E149-S153 PolarHBondContact O-OG 2.75Å; S153-K155 VanDerWaalsContact C-N 3.27Å; S153-K155 PolarHBondContact O-N 3.48Å; S153-G156 PolarHBondContact O-N 2.9Å; S153-G156 VanDerWaalsContact O-N 3.09Å; S153-A157 PolarHBondContact O-N 2.72Å
154A69.1Low68.6Low61 Ų61110.1 Ų110.150%0.50465%0.649SS.*Hα-helixtrans-62.7-30.3176.500000113.4R150 A152 A158R150-A154 VanDerWaalsContact O-CB 3.32Å; R150-A154 WeakPolarHBondContact O-CB 3.45Å; R150-A154 PolarHBondContact O-N 3.4Å; A152-A154 VanDerWaalsContact C-N 3.31Å; A152-A154 PolarHBondContact O-N 3.03Å; A154-A158 PolarHBondContact O-N 3Å
155K60.7Low66.2Low172 Ų172113 Ų11375%0.74866%0.661SS**Hα-helixtrans-74.4-29173.2-77.2-173.6172.1-171.50113A151 A152 S153 A158A151-K155 PolarHBondContact O-N 3.49Å; A152-K155 PolarHBondContact O-N 3.5Å; S153-K155 VanDerWaalsContact C-N 3.27Å; S153-K155 PolarHBondContact O-N 3.48Å; K155-A158 PolarHBondContact O-N 3.34Å
156G56.4Low63.4Low61 Ų61113 Ų11363%0.62968%0.681SS**Hα-helixtrans-64.8-44.3172.800000112.5A152 S153 A158 G159A152-G156 PolarHBondContact O-N 3.43Å; S153-G156 PolarHBondContact O-N 2.9Å; S153-G156 VanDerWaalsContact O-N 3.09Å; G156-A158 VanDerWaalsContact C-N 3.27Å; G156-A158 PolarHBondContact O-N 3.48Å; G156-G159 PolarHBondContact O-N 3.07Å
157A53.8Low60.8Low94 Ų94112.9 Ų112.978%0.77769%0.687SS**Hα-helixtrans-67.8-23.3178.600000114S153S153-A157 PolarHBondContact O-N 2.72Å
158A49.9Very low58.3Low67 Ų67109.8 Ų109.855%0.55469%0.691SS**THydrogen-bonded Turntrans-895.6179.300000114.2A154 K155 G156 A160A154-A158 PolarHBondContact O-N 3Å; K155-A158 PolarHBondContact O-N 3.34Å; G156-A158 VanDerWaalsContact C-N 3.27Å; G156-A158 PolarHBondContact O-N 3.48Å; A158-A160 PolarHBondContact O-N 3.45Å
159G44Very low55.9Low71 Ų71114 Ų11473%0.73270%0.702SS**THydrogen-bonded Turntrans-68.78.3-172.300000117.1G156G156-G159 PolarHBondContact O-N 3.07Å
160A49.8Very low53.3Low89 Ų89115.6 Ų115.674%0.73672%0.721SS**THydrogen-bonded Turntrans-119.419.7-170.600000114.9A158A158-A160 PolarHBondContact O-N 3.45Å
161T42Very low51.2Low141 Ų141111.6 Ų111.687%0.86572%0.722SS**SBendtrans-167.3150.9161.12.80000112.8
162G38.3Very low49.3Very low78 Ų78113.2 Ų113.280%0.80473%0.73SS**  trans91.978.7151.600000118K164G162-K164 PolarHBondContact O-N 3.34Å
163T47.8Very low47.8Very low138 Ų138119 Ų11985%0.84775%0.746SS**  trans-46.7126.1164.3-51.20000113.6
164K42.2Very low46.5Very low206 Ų206121.1 Ų121.190%0.89675%0.751SS**  trans-162.6134.7137.1-109154.5-167.6176.60115.1G162G162-K164 PolarHBondContact O-N 3.34Å
165K45.9Very low45.4Very low202 Ų202125.9 Ų125.988%0.87877%0.768SS**  trans-54.9130.9-177.1-173178.5-176.3179.50113.4
166G37.8Very low44.6Very low71 Ų71124 Ų12473%0.73277%0.765SS**  trans-151.3116.1168.400000109A168G166-A168 PolarHBondContact O-N 3.23Å
167E42.9Very low44.2Very low138 Ų138125.4 Ų125.465%0.64577%0.766SS**  trans-78.6115.6-161.4-169.3176.610800112.9R169E167-R169 HydrophobicContact CG-CG 4.19Å; E167-R169 IonicContact OE1-CZ 2.77Å; E167-R169 IonicContact OE1-NE 3.46Å; E167-R169 PolarHBondContact OE1-NE 2.89Å; E167-R169 IonicContact OE1-NH2 3.38Å; E167-R169 PolarHBondContact OE1-NH2 2.94Å
168A41.9Very low43.9Very low96 Ų96130.8 Ų130.879%0.79377%0.772SS**  trans-118.5104.8169.300000108.7G166 C170G166-A168 PolarHBondContact O-N 3.23Å; A168-C170 PolarHBondContact O-N 3.35Å
169R41.5Very low43.9Very low216 Ų216136.4 Ų136.482%0.81579%0.787SS**  trans-80.695.8178.2-54.1177.7-163.6164.24.1108.5E167E167-R169 HydrophobicContact CG-CG 4.19Å; E167-R169 IonicContact OE1-CZ 2.77Å; E167-R169 IonicContact OE1-NE 3.46Å; E167-R169 PolarHBondContact OE1-NE 2.89Å; E167-R169 IonicContact OE1-NH2 3.38Å; E167-R169 PolarHBondContact OE1-NH2 2.94Å
170C34.2Very low44Very low125 Ų125138.7 Ų138.785%0.84579%0.792SS**  trans-80.6125.9167.8-162.60000107.9A168A168-C170 PolarHBondContact O-N 3.35Å
171S40.5Very low43.7Very low106 Ų106140.8 Ų140.874%0.74180%0.795SS**  trans-78.8125.7169.8-155.50000107.7
172S43.1Very low43.6Very low91 Ų91140.2 Ų140.264%0.63680%0.796SS**  trans-108.6142.5162.8-163.10000106.9D174S172-D174 VanDerWaalsContact C-OD2 3.32Å; S172-D174 WeakPolarHBondContact CB-OD2 3.32Å; S172-D174 PolarHBondContact OG-OD2 3.46Å
173E48Very low43.6Very low189 Ų189141.7 Ų141.788%0.88379%0.794SS**  trans-109.498.8-175.4-68.9175.797.300108.6
174D47.1Very low44Very low132 Ų132141 Ų14171%0.70679%0.792SS**  trans-153.2137.3-173.8-41.6-111.6000108.9S172S172-D174 VanDerWaalsContact C-OD2 3.32Å; S172-D174 WeakPolarHBondContact CB-OD2 3.32Å; S172-D174 PolarHBondContact OG-OD2 3.46Å
175D45.7Very low44.1Very low161 Ų161137.6 Ų137.686%0.86179%0.788SS**  cis-157.5160.7-23.8-168.4-161.8000109.9
176D44.6Very low44.7Very low131 Ų131133.9 Ų133.970%0.70179%0.785SS**  trans43.2135.1168.4-158.9-136.5000124.3
177S46.7Very low44.6Very low92 Ų92137 Ų13764%0.64379%0.785SS**  trans23.6128.2152.3-63.30000122.9
178K48.9Very low44.7Very low207 Ų207136.1 Ų136.190%0.979%0.794SS**  -156.9146.1104.7-86.9-126.1176.5-177.60114.5
179E50.1Low44.9Very low184 Ų184137.5 Ų137.586%0.8679%0.793SS**  trans-56.1134.8168.9166.8-173.457.600113.8
180S45Very low44.9Very low120 Ų120131.4 Ų131.484%0.83979%0.788SS**  trans-164.5132.5142.8-82.20000110.6
181T43.2Very low45.3Very low132 Ų132131.3 Ų131.381%0.8179%0.789SS**  trans-87.6143.2178.4-174.60000111.8
182C39.3Very low45.7Very low130 Ų130133.7 Ų133.788%0.87879%0.793SS**  trans-166.4151.9144.5-115.30000112
183S39.4Very low46.2Very low109 Ų109135.2 Ų135.276%0.76280%0.8SS**  trans-78.6158.5-168.3-61.30000114.8
184P55.6Low47.1Very low123 Ų123131.5 Ų131.580%0.79979%0.792SS**  trans-79154.5178.933-36.8000113.5
185T45.5Very low47.7Very low135 Ų135130.8 Ų130.883%0.82880%0.795SS**  trans-126.9120.8165.653.90000110.3
186P58Low47.9Very low124 Ų124129.5 Ų129.581%0.80580%0.796SS**  trans-88.6172.5172.636.6-34.8000112.6
187D35.8Very low48.5Very low136 Ų136127.7 Ų127.773%0.72780%0.799SS**  trans71.8120.8167.1-149.1-93.7000119.7
188S44.7Very low48.7Very low120 Ų120129.6 Ų129.684%0.83981%0.809SS**  trans-157.2108.3137.7-81.20000109.5
189T46Very low48.5Very low125 Ų125125.4 Ų125.477%0.76781%0.806SS**  trans-49.8138.2166.5177.30000114.1
190A41.5Very low48.3Very low88 Ų88125.4 Ų125.473%0.72781%0.811SS**  trans-173.5117.1145.300000114.1
191S43.7Very low48.1Very low122 Ų122123.9 Ų123.985%0.85381%0.806SS**  trans37.9133.4139.3-56.30000123.9
192L47.4Very low48.2Very low157 Ų157123.3 Ų123.382%0.82281%0.807SS**  trans-73.6171.1170.7-59.2170000113.6
193P53.8Low48.9Very low123 Ų123122.7 Ų122.780%0.79980%0.801SS**  -129.6156.310337.6-33000115
194P67.9Low48.6Very low110 Ų110129.2 Ų129.271%0.71481%0.809SS**PPolyproline II helixtrans-87.7163.3-175.635.7-37000114.7
195P59.6Low47.8Very low118 Ų118131.4 Ų131.477%0.76681%0.813SS**PPolyproline II helixtrans-80.2153.9176.833.5-36.1000113.5
196P50.1Low47.4Very low134 Ų134130.8 Ų130.887%0.8781%0.814SS**PPolyproline II helixtrans-78.4142.517831.7-34.8000113.3
197A55.8Low47.1Very low92 Ų92130 Ų13076%0.7681%0.81SS**  trans-106158.5173.100000111.1
198P50.6Low47.1Very low133 Ų133129 Ų12986%0.86481%0.813SS**PPolyproline II helixtrans-78.8138.2-168.330.9-35.4000113.7
199S45.8Very low47.4Very low119 Ų119129.1 Ų129.183%0.83281%0.811SS**PPolyproline II helixtrans-89.5124.9176.144.80000112.4
200L46.3Very low47.2Very low183 Ų183130.3 Ų130.396%0.95881%0.812SS**PPolyproline II helixtrans-85116.2173.7-177.174.2000109.6
201A40.2Very low47.5Very low89 Ų89132.5 Ų132.574%0.73682%0.819SS**  trans-143112.8177.200000114
202S44.5Very low47.2Very low120 Ų120131.3 Ų131.384%0.83982%0.816SS**  trans-154.4157.5161.4-80.80000106.1
203P54.5Low46.5Very low116 Ų116128.5 Ų128.575%0.75382%0.816SS**  cis-133.6-177.21943-28.2000114.6
204R33.7Very low45.7Very low246 Ų246131.4 Ų131.493%0.92882%0.823SS**  trans-164.2166.9135.9-114165.3169.4-86.7-3.7113.6
205L39.3Very low44Very low170 Ų170129.5 Ų129.589%0.8982%0.824SS**  trans-117.7149.3-164.3-60.8161.1000112.3
206S36.5Very low42.9Very low122 Ų122130 Ų13085%0.85383%0.83SS**  trans-164.1150.6149.7-152.80000111.8
207P51.6Low42.2Very low108 Ų108126.9 Ų126.970%0.70182%0.823SS**  trans-123.7173.4-170.542.6-31.4000117.4
208S36.1Very low41.7Very low114 Ų114129.3 Ų129.380%0.79783%0.831SS**  trans72.3163.3158.8-67.70000119.2
209P50.5Low40.9Very low122 Ų122126.1 Ų126.179%0.79282%0.822SS**  cis-125.5-172.8-3.134.9-15.3000115.5
210L41Very low41.3Very low150 Ų150123.4 Ų123.479%0.78580%0.801SS**  trans-87.3176.4175.5-63.284.2000113
211P48.3Very low41.1Very low135 Ų135121.7 Ų121.788%0.87779%0.788SS**  -133.9-177.4101.439.7-31000114.4
212A37.2Very low41.3Very low97 Ų97121.9 Ų121.980%0.80278%0.782SS**  trans-139.7155.9-167.400000115.5
213A33.7Very low40.8Very low98 Ų98124.9 Ų124.981%0.8179%0.788SS**  trans-157.3133.2158.500000107.9
214L36.3Very low40Very low183 Ų183129 Ų12996%0.95879%0.794SS**  98.9119.250.3-152.487.1000111.5
215G32.5Very low40.1Very low71 Ų71121.1 Ų121.173%0.73279%0.789SS**  trans145.394.6166.400000119.5
216S36.3Very low40Very low127 Ų127117.9 Ų117.989%0.88879%0.787SS**  trans29.7134.1142.1-48.90000124.5
217G35.4Very low40Very low70 Ų70120 Ų12072%0.72279%0.788SS**  trans-93.4-157.115100000112.1
218P44.9Very low39.3Very low143 Ų143126.5 Ų126.593%0.92980%0.799SS**  cis-112-148.92.645.6-33.9000110.8
219G34.4Very low39.3Very low65 Ų65125.3 Ų125.367%0.6780%0.796SS**  cis-179.1159.3-1.300000112.8
220P53.8Low38.5Very low63 Ų63123.5 Ų123.541%0.40980%0.799SS.*  trans-132.2162.3-164.542.7-28.5000117.8P69P69-P220 HydrophobicContact CB-CG 3.98Å; P69-P220 HydrophobicContact CG-CB 3.97Å; P69-P220 HydrophobicContact CG-CG 3.9Å; P69-P220 VanDerWaalsContact O-CB 3.27Å; P69-P220 WeakPolarHBondContact O-CB 3.35Å; P69-P220 WeakPolarHBondContact O-CG 3.33Å
221Q42.4Very low38.3Very low146 Ų146123.6 Ų123.668%0.68281%0.806SS**  trans-153.4165.6154.6-81-43.9-25.500110.6
222P43.3Very low37.9Very low94 Ų94121.7 Ų121.761%0.6180%0.801SS**  trans-115.9164.5-138.441.4-32.5000116.2
223L35.2Very low37.9Very low182 Ų182121.3 Ų121.395%0.95381%0.806SS**  trans-102.1150.5167.1-66.9175.3000111.5
224K37.9Very low37.9Very low203 Ų203120.7 Ų120.788%0.88381%0.81SS**  trans-111.9134.9-17646.7-169.3168.2-175.30109.7
225G36Very low37.9Very low81 Ų81116 Ų11684%0.83581%0.806SS**PPolyproline II helixtrans-70.3150.6-171.500000113.9
226A37.7Very low38Very low101 Ų101116.7 Ų116.784%0.83581%0.813SS**PPolyproline II helixtrans-100.1122.1173.700000110.8
227L34.8Very low37.7Very low167 Ų167114.9 Ų114.987%0.87481%0.814SS**PPolyproline II helixtrans-72.5148.9156.2-90.161.4000108.6
228W37Very low37.6Very low245 Ų245115 Ų11593%0.92882%0.815SS**  trans-116.4116.4158.467.7-81.6000108.3
229A35.7Very low38Very low89 Ų89114.8 Ų114.874%0.73681%0.814SS**  trans-158.9128.3176.100000109.3
230G35.3Very low38Very low84 Ų84115 Ų11587%0.86682%0.816SS**  trans74.6108.9167.800000116.5
231V36.1Very low37.2Very low152 Ų152117.5 Ų117.592%0.92184%0.842SS**  trans-123.3132.6141.562.90000107.2
232A40.1Very low37.1Very low95 Ų95114 Ų11479%0.78585%0.845SS**  trans-146.3145.6-17600000110.3
233G37.5Very low37Very low88 Ų88115 Ų11591%0.90786%0.861SS**  trans73.2112.2156.500000117.5
234G33.3Very low37.5Very low86 Ų86110.5 Ų110.589%0.88785%0.851SS**  trans176.1120.1164.100000110.5
235G36.5Very low37.9Very low85 Ų85108.9 Ų108.988%0.87685%0.846SS**  trans-171.9175-178.900000113.2
236G34.5Very low38.4Very low85 Ų85113 Ų11388%0.87685%0.848SS**  trans138.3137.6175.800000113
237G30.5Very low39Very low88 Ų88116.7 Ų116.791%0.90785%0.853SS**  trans120.7111.1170.700000115.5
238G32.9Very low39.6Very low73 Ų73117.9 Ų117.975%0.75385%0.851SS**  trans-123.7-154.7153.300000108.4
239P54.1Low40Very low138 Ų138110.3 Ų110.390%0.89684%0.84SS**  cis-133.6-179.5-6.142-26.9000113.9
240G33Very low40.5Very low70 Ų70118.1 Ų118.172%0.72285%0.851SS**  trans130.2146.5145.400000119.3
241A38.1Very low41Very low115 Ų115122.2 Ų122.295%0.9585%0.848SS**  trans64.6151165.400000119.8
242G39.9Very low41.4Very low72 Ų72121 Ų12174%0.74284%0.843SS**  trans122.9-1159.200000119.7A244G242-A244 VanDerWaalsContact C-N 3.28Å; G242-A244 PolarHBondContact O-N 2.94Å
243A41.1Very low41.7Very low115 Ų115121.2 Ų121.295%0.9585%0.845SS**  trans-78.629.1-166.600000117.4
244A46.4Very low42.5Very low89 Ų89125.4 Ų125.474%0.73684%0.841SS**SBendtrans-153.240.8-167.600000117.6G242G242-A244 VanDerWaalsContact C-N 3.28Å; G242-A244 PolarHBondContact O-N 2.94Å
245E44.8Very low43.3Very low168 Ų168127.1 Ų127.179%0.78584%0.837SS**SBendtrans-151.627.2177.6-115.1-77.277.900115.3
246L47.1Very low44.3Very low168 Ų168126.1 Ų126.188%0.8883%0.826SS**  trans-128.929.9-178.4-69.4173.3000114.5
247L49.7Very low45.3Very low178 Ų178128.5 Ų128.593%0.93283%0.826SS**SBendtrans-110.815-176.6-65.3171.4000113.9
248K47.5Very low46.3Very low193 Ų193126.9 Ų126.984%0.83981%0.809SS**SBendtrans-140.428.2-170.2-149.5172.9177.462.80115.9
249A46.8Very low47.7Very low85 Ų85129.4 Ų129.470%0.70281%0.812SS**SBendtrans-129.720.7-173.300000116.1
250W45.8Very low47.6Very low253 Ų253132 Ų13296%0.95881%0.81SS**  trans-141.198.8165.3-94.586.8000110.2
251Q45.5Very low48.7Very low170 Ų170134.9 Ų134.979%0.79482%0.819SS**  trans-105.5144.9161-72.4-175.472.300108.1
252P44.8Very low49.5Very low127 Ų127132.6 Ų132.683%0.82581%0.806SS**PPolyproline II helixtrans-64.6136.7170.329.2-33.8000109.6
253A45Very low50.4Low100 Ų100135.7 Ų135.783%0.82681%0.811SS**PPolyproline II helixtrans-79.9139.2176.700000111.2
254E54.9Low50.9Low175 Ų175137.9 Ų137.982%0.81881%0.806SS**PPolyproline II helixtrans-58.6143.5173.9-73-74.4108.100111.9G256E254-G256 PolarHBondContact O-N 2.91Å
255P51.3Low50.8Low123 Ų123139.7 Ų139.780%0.79981%0.813SS**  trans-75.881.4179.731.7-35.3000111.9
256G55.7Low51Low64 Ų64136.2 Ų136.266%0.6681%0.807SS**PPolyproline II helixtrans-62.7138.3172.200000112.6E254 G258E254-G256 PolarHBondContact O-N 2.91Å; G256-G258 PolarHBondContact O-N 2.9Å
257P57.2Low50.9Low134 Ų134137.8 Ų137.887%0.8781%0.807SS**PPolyproline II helixtrans-72.2120.7-175.127.9-34.4000112.5
258G50.9Low50.8Low54 Ų54137.9 Ų137.956%0.55780%0.803SS**PPolyproline II helixtrans-72.3149.9176.800000113.8G256 F260G256-G258 PolarHBondContact O-N 2.9Å; G258-F260 PolarHBondContact O-N 3.09Å
259P61.2Low51Low126 Ų126140.5 Ų140.582%0.81881%0.807SS**THydrogen-bonded Turntrans-76.420.7-165.932.3-38.5000116.1
260F53.3Low51.5Low194 Ų194145.5 Ų145.585%0.85181%0.813SS**THydrogen-bonded Turntrans-118.611.1-177.6-74.3-75.9000114.7G258 G262G258-F260 PolarHBondContact O-N 3.09Å; F260-G262 PolarHBondContact O-N 3.1Å
261S54.8Low52Low129 Ų129139 Ų13990%0.90280%0.804SS**  trans-76.273.3169.4-164.40000110.6
262G56.4Low52.4Low67 Ų67134.2 Ų134.269%0.69180%0.8SS**  trans-166.733.2-161.300000118.9F260F260-G262 PolarHBondContact O-N 3.1Å
263V57.6Low53.1Low137 Ų137134.2 Ų134.283%0.8380%0.8SS**SBendtrans-176.7114.3147.1140.10000109.9
264L52.6Low53.6Low161 Ų161134 Ų13484%0.84380%0.798SS**  trans161.974.3148.3-92.2166.3000110
265S44.1Very low53.7Low128 Ų128132.8 Ų132.890%0.89580%0.796SS**  trans-157.382.5170.6-870000112.4
266S49.6Very low53.8Low94 Ų94135.9 Ų135.966%0.65780%0.797SS**  trans-164.486.4143.8-164.10000111.8
267F44.9Very low54.1Low201 Ų201138.9 Ų138.988%0.88280%0.803SS**  trans-127.483.5157.5-83-66.8000108.9R269F267-R269 PolarHBondContact O-N 3.34Å
268H47.2Very low53.9Low181 Ų181140.6 Ų140.684%0.83881%0.805SS**  trans-61101.7170.5-90.452.4000110.2K270H268-K270 PolarHBondContact O-N 3.4Å; H268-K270 VanDerWaalsContact O-N 3.07Å
269R51.8Low53.9Low247 Ų247146 Ų14693%0.93282%0.82SS**  trans-75.693.6164.5-80.2-165.2172.4-153.8-1.1109.5F267F267-R269 PolarHBondContact O-N 3.34Å
270K58Low53.8Low190 Ų190153.4 Ų153.483%0.82684%0.84SS**PPolyproline II helixtrans-57.2129.8172.8-174.6176.2-177.2176.60110.4H268H268-K270 PolarHBondContact O-N 3.4Å; H268-K270 VanDerWaalsContact O-N 3.07Å
271P55.6Low53.8Low118 Ų118151.4 Ų151.477%0.76684%0.839SS**PPolyproline II helixtrans-68.1133.5174.227.9-33.5000110.5
272G52.8Low53.7Low69 Ų69152.5 Ų152.571%0.71184%0.836SS**PPolyproline II helixtrans-85.4141.1173.900000111.6
273P61.1Low53.6Low126 Ų126157.3 Ų157.382%0.81884%0.844SS**PPolyproline II helixtrans-75.2145.7178.231.5-34.9000112
274A54.4Low53.3Low95 Ų95158.5 Ų158.579%0.78585%0.845SS**PPolyproline II helixtrans-80.4128.9178.100000112.4
275L56.9Low53.4Low151 Ų151158.3 Ų158.379%0.79185%0.845SS**  trans-132.8100.6161.9-66.9175.1000106.2
276K52.9Low54Low187 Ų187160.3 Ų160.381%0.81384%0.841SS**  89.1111.483.6-87.3-175.3178.2179.70111.9
277T62.5Low54.3Low128 Ų128165.1 Ų165.179%0.78586%0.855SS**  trans-47.8140.7166.148.70000113
278N52.8Low55Low169 Ų169162.3 Ų162.390%0.90485%0.852SS**  trans-143.7125.6137.3-86.6-46000107.5
279L52.2Low55.7Low168 Ų168160.8 Ų160.888%0.8885%0.854SS**  trans-141.892.5175.3-174.979.6000107.2
280F57.4Low56Low281 Ų281152.9 Ų152.9100%1.23285%0.847SS**  trans-162.50167.2-127.1-78.3000108.6

Retrieved 280 of 280 residues in 51.8 ms (Link to these results)