Q26591_SCHMA Loading...

P48 Eggshell protein

AlphaFold DB , UniProt , Accession Q26591, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 414 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
1M54.5Low71.2Confident205 Ų205116.8 Ų116.8100%1.0162%0.618SS**  0-42.90-84.9170.5161.900113.5L3 L4M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.82Å; M1-L4 PolarHBondContact O-N 3.44Å
2N69.3Low71.1Confident137 Ų137113.6 Ų113.673%0.73361%0.611SS**Hα-helixtrans-52.6-29.8-165.7-54.516.7000116.8V5 F6N2-V5 PolarHBondContact O-N 2.69Å; N2-F6 PolarHBondContact O-N 2.96Å
3L68Low71.2Confident155 Ų155114.1 Ų114.181%0.81261%0.612SS**Hα-helixtrans-66.3-34.5175.4-82.8163.9000114.1M1 V5 F6 S7M1-L3 VanDerWaalsContact C-N 3.27Å; M1-L3 PolarHBondContact O-N 2.82Å; L3-V5 VanDerWaalsContact C-N 3.31Å; L3-V5 PolarHBondContact O-N 3.41Å; L3-F6 PolarHBondContact O-N 3.2Å; L3-S7 PolarHBondContact O-N 2.92Å
4L69.2Low71.2Confident125 Ų125114 Ų11465%0.65461%0.61SS**Hα-helixtrans-66-36.3176.7-101.7162.8000111.6M1 F6 S7 I8M1-L4 PolarHBondContact O-N 3.44Å; L4-F6 VanDerWaalsContact C-N 3.31Å; L4-F6 PolarHBondContact O-N 3.41Å; L4-S7 PolarHBondContact O-N 2.97Å; L4-I8 WeakPolarHBondContact O-CG1 3.49Å; L4-I8 PolarHBondContact O-N 3.33Å
5V72.7Confident71.1Confident82 Ų82114.1 Ų114.150%0.49761%0.611SS.*Hα-helixtrans-63.2-38.3177.3-172.20000111.2N2 L3 I8 L9N2-V5 PolarHBondContact O-N 2.69Å; L3-V5 VanDerWaalsContact C-N 3.31Å; L3-V5 PolarHBondContact O-N 3.41Å; V5-I8 PolarHBondContact O-N 3.33Å; V5-L9 HydrophobicContact CG1-CD1 4.48Å; V5-L9 PolarHBondContact O-N 2.72Å
6F73.7Confident70.8Confident140 Ų140112.1 Ų112.161%0.61461%0.609SS**Hα-helixtrans-66.6-36.3176.3-108.2-85.6000113.3N2 L3 L4 L9 I10N2-F6 PolarHBondContact O-N 2.96Å; L3-F6 PolarHBondContact O-N 3.2Å; L4-F6 VanDerWaalsContact C-N 3.31Å; L4-F6 PolarHBondContact O-N 3.41Å; F6-L9 PolarHBondContact O-N 3.24Å; F6-I10 WeakPolarHBondContact O-CG1 3.27Å; F6-I10 PolarHBondContact O-N 3.47Å
7S75.9Confident70.4Confident70 Ų70111.6 Ų111.649%0.4961%0.61SS.*Hα-helixtrans-63.6-41.7176179.10000112.1L3 L4 I10 T11L3-S7 PolarHBondContact O-N 2.92Å; L4-S7 PolarHBondContact O-N 2.97Å; S7-I10 PolarHBondContact O-N 2.95Å; S7-T11 PolarHBondContact O-N 3.43Å; S7-T11 PolarHBondContact O-OG1 3.39Å
8I75.2Confident69.8Low101 Ų101116 Ų11652%0.51862%0.617SS.*Hα-helixtrans-65.8-38.1178.2-63.5166.2000111.2L4 V5 I10 T11 C12L4-I8 WeakPolarHBondContact O-CG1 3.49Å; L4-I8 PolarHBondContact O-N 3.33Å; V5-I8 PolarHBondContact O-N 3.33Å; I8-I10 PolarHBondContact O-N 3.41Å; I8-T11 PolarHBondContact O-N 3.26Å; I8-T11 PolarHBondContact O-OG1 3.19Å; I8-T11 VanDerWaalsContact O-OG1 3.07Å; I8-C12 PolarHBondContact O-N 3.25Å; I8-C12 VanDerWaalsContact O-N 3.11Å; I8-C12 PolarHBondContact O-SG 3.5Å; I8-C12 VanDerWaalsContact O-SG 3.33Å
9L72.8Confident69.3Low97 Ų97114.5 Ų114.551%0.50862%0.617SS.*Hα-helixtrans-63.9-39.3176.5-78.2164000112.8V5 F6 C12 L13V5-L9 HydrophobicContact CG1-CD1 4.48Å; V5-L9 PolarHBondContact O-N 2.72Å; F6-L9 PolarHBondContact O-N 3.24Å; L9-C12 PolarHBondContact O-N 3.07Å; L9-L13 WeakPolarHBondContact O-CG 3.11Å; L9-L13 PolarHBondContact O-N 3.48Å
10I77.4Confident68.6Low96 Ų96111.4 Ų111.449%0.49261%0.613SS.*Hα-helixtrans-69-40179.9-66.4168000111.4F6 S7 I8 L13 L14F6-I10 WeakPolarHBondContact O-CG1 3.27Å; F6-I10 PolarHBondContact O-N 3.47Å; S7-I10 PolarHBondContact O-N 2.95Å; I8-I10 PolarHBondContact O-N 3.41Å; I10-L13 PolarHBondContact O-N 3.45Å; I10-L14 HydrophobicContact CG2-CD1 4.35Å; I10-L14 PolarHBondContact O-N 3.29Å; I10-L14 VanDerWaalsContact O-N 3.16Å
11T74.7Confident68Low77 Ų77116 Ų11647%0.47262%0.623SS.*Hα-helixtrans-69.3-34.6176.644.70000112.7S7 I8 L13 L14 N15S7-T11 PolarHBondContact O-N 3.43Å; S7-T11 PolarHBondContact O-OG1 3.39Å; I8-T11 PolarHBondContact O-N 3.26Å; I8-T11 PolarHBondContact O-OG1 3.19Å; I8-T11 VanDerWaalsContact O-OG1 3.07Å; T11-L13 VanDerWaalsContact C-N 3.35Å; T11-L13 PolarHBondContact O-N 3.43Å; T11-L14 PolarHBondContact O-N 3.25Å; T11-N15 PolarHBondContact O-N 3.49Å; T11-N15 PolarHBondContact O-ND2 3.5Å
12C70.3Confident67.9Low78 Ų78112.8 Ų112.853%0.52761%0.61SS.*Hα-helixtrans-60.5-40.8170.1-73.30000112.8I8 L9 S16I8-C12 PolarHBondContact O-N 3.25Å; I8-C12 VanDerWaalsContact O-N 3.11Å; I8-C12 PolarHBondContact O-SG 3.5Å; I8-C12 VanDerWaalsContact O-SG 3.33Å; L9-C12 PolarHBondContact O-N 3.07Å; C12-S16 PolarHBondContact O-N 3.27Å; C12-S16 VanDerWaalsContact O-N 3.17Å
13L71.6Confident67Low120 Ų120109 Ų10963%0.62860%0.603SS**Hα-helixtrans-66.8-42178.7-73.6169.7000112.6L9 I10 T11 N15 S16 V17L9-L13 WeakPolarHBondContact O-CG 3.11Å; L9-L13 PolarHBondContact O-N 3.48Å; I10-L13 PolarHBondContact O-N 3.45Å; T11-L13 VanDerWaalsContact C-N 3.35Å; T11-L13 PolarHBondContact O-N 3.43Å; L13-N15 PolarHBondContact O-N 3.18Å; L13-S16 WeakPolarHBondContact O-CB 3.46Å; L13-S16 PolarHBondContact O-N 3.36Å; L13-V17 PolarHBondContact O-N 3.33Å
14L72Confident65.8Low113 Ų113112.1 Ų112.159%0.59261%0.605SS**Hα-helixtrans-64.1-40.6178.3-72.1168.1000112.3I10 T11 S16 V17 Y18I10-L14 HydrophobicContact CG2-CD1 4.35Å; I10-L14 PolarHBondContact O-N 3.29Å; I10-L14 VanDerWaalsContact O-N 3.16Å; T11-L14 PolarHBondContact O-N 3.25Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 3.49Å; L14-V17 PolarHBondContact O-N 3.11Å; L14-Y18 PolarHBondContact O-N 3.48Å; L14-Y18 VanDerWaalsContact O-N 3.1Å
15N69.5Low64.5Low116 Ų116112.6 Ų112.662%0.6261%0.614SS**Hα-helixtrans-64.3-34.9174.7-73.9-24.7000112.5T11 L13 Y18 S19T11-N15 PolarHBondContact O-N 3.49Å; T11-N15 PolarHBondContact O-ND2 3.5Å; L13-N15 PolarHBondContact O-N 3.18Å; N15-Y18 PolarHBondContact O-N 3.43Å; N15-S19 WeakPolarHBondContact O-CB 3.45Å; N15-S19 PolarHBondContact O-N 3.2Å
16S66.6Low63Low82 Ų82116.7 Ų116.757%0.57363%0.633SS**Hα-helixtrans-61.6-44.2174.6-169.30000112.1C12 L13 L14 S19 G20C12-S16 PolarHBondContact O-N 3.27Å; C12-S16 VanDerWaalsContact O-N 3.17Å; L13-S16 WeakPolarHBondContact O-CB 3.46Å; L13-S16 PolarHBondContact O-N 3.36Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 3.49Å; S16-S19 PolarHBondContact O-N 3.3Å; S16-G20 PolarHBondContact O-N 3.47Å; S16-G20 VanDerWaalsContact O-N 3.16Å
17V64.1Low61.2Low103 Ų103113.6 Ų113.662%0.62464%0.641SS**Hα-helixtrans-64.8-41.9176.7178.20000111.5L13 L14 S19 G20L13-V17 PolarHBondContact O-N 3.33Å; L14-V17 PolarHBondContact O-N 3.11Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.17Å; V17-G20 PolarHBondContact O-N 3.21Å; V17-G20 VanDerWaalsContact O-N 3.15Å
18Y59.9Low59.5Low191 Ų191118.6 Ų118.675%0.74966%0.66SS**Hα-helixtrans-66.7-34.6178.4-132.9-88.8000112.5L14 N15 G20L14-Y18 PolarHBondContact O-N 3.48Å; L14-Y18 VanDerWaalsContact O-N 3.1Å; N15-Y18 PolarHBondContact O-N 3.43Å; Y18-G20 VanDerWaalsContact C-N 3.28Å; Y18-G20 PolarHBondContact O-N 3.16Å
19S59.7Low57.8Low87 Ų87119 Ų11961%0.60867%0.672SS**Hα-helixtrans-68.9-25.2173.4-166.10000113.1N15 S16 V17N15-S19 WeakPolarHBondContact O-CB 3.45Å; N15-S19 PolarHBondContact O-N 3.2Å; S16-S19 PolarHBondContact O-N 3.3Å; V17-S19 VanDerWaalsContact C-N 3.33Å; V17-S19 PolarHBondContact O-N 3.17Å
20G55.4Low56.1Low53 Ų53118.8 Ų118.855%0.54668%0.684SS.*Hα-helixtrans-66.3-33.1177.500000113.7S16 V17 Y18 N22 G23S16-G20 PolarHBondContact O-N 3.47Å; S16-G20 VanDerWaalsContact O-N 3.16Å; V17-G20 PolarHBondContact O-N 3.21Å; V17-G20 VanDerWaalsContact O-N 3.15Å; Y18-G20 VanDerWaalsContact C-N 3.28Å; Y18-G20 PolarHBondContact O-N 3.16Å; G20-N22 VanDerWaalsContact C-N 3.31Å; G20-N22 PolarHBondContact O-N 3.22Å; G20-G23 PolarHBondContact O-N 2.97Å; G20-G23 VanDerWaalsContact O-N 3.1Å
21Y56.2Low54.3Low208 Ų208122.5 Ų122.582%0.81670%0.703SS**THydrogen-bonded Turntrans-74.6-17.1-177.6-107.2-89.8000114.7
22N52.1Low52.6Low138 Ų138124.9 Ų124.974%0.73872%0.717SS**THydrogen-bonded Turntrans-96.713.4169.5-75-32.6000112.6G20 Y24G20-N22 VanDerWaalsContact C-N 3.31Å; G20-N22 PolarHBondContact O-N 3.22Å; N22-Y24 PolarHBondContact O-N 3.38Å
23G49.6Very low51.1Low56 Ų56127.1 Ų127.158%0.57773%0.734SS**  trans-68.214-175.700000117.1G20 T25G20-G23 PolarHBondContact O-N 2.97Å; G20-G23 VanDerWaalsContact O-N 3.1Å; G23-T25 PolarHBondContact O-N 3.1Å
24Y43Very low49.6Very low221 Ų221133 Ų13387%0.86775%0.748SS**  trans-89.671.6173.8-82.4-81.1000111.5N22N22-Y24 PolarHBondContact O-N 3.38Å
25T42.7Very low48.3Very low136 Ų136133.7 Ų133.783%0.83476%0.759SS**  trans-174.594.1152.416.70000110.2G23G23-T25 PolarHBondContact O-N 3.1Å
26N40.2Very low46.9Very low168 Ų168132.1 Ų132.190%0.89877%0.771SS**  trans-82.1125.2163.9-83-45.1000109.5
27G36.8Very low45.6Very low75 Ų75132.2 Ų132.277%0.77378%0.784SS**  trans74.471.3151.900000118.3
28I40Very low44.5Very low175 Ų175130.5 Ų130.590%0.89779%0.788SS**  trans-120.7116.3141.8-61.8-177.4000107.7
29S38.9Very low43.7Very low110 Ų110130.5 Ų130.577%0.76979%0.794SS**  trans-84.9127.2177.352.40000111.2
30A36.6Very low42.9Very low92 Ų92130.2 Ų130.276%0.7679%0.792SS**  trans52.2117.5159.400000118.6
31I40Very low42.4Very low174 Ų174135.3 Ų135.389%0.89280%0.802SS**  -154.8150.1127.5-102.5150.9000108.9
32T38.9Very low41.9Very low126 Ų126132.6 Ų132.677%0.77380%0.797SS**  trans-80.3140.7-170.749.50000114.2
33S40Very low41.4Very low126 Ų126131.7 Ų131.788%0.88179%0.792SS**  trans-168.6138138.4-84.70000113.3
34R39.4Very low41Very low243 Ų243133.3 Ų133.392%0.91779%0.794SS**  trans-119.9153.9167.1-117.5177.5167.5-168.6-4.8105.8
35P44.6Very low41Very low127 Ų127128.5 Ų128.583%0.82579%0.787SS**  -158.417969.341.6-20.7000118
36G39.7Very low41.2Very low84 Ų84128.8 Ų128.887%0.86678%0.784SS**  trans83.1151.8161.500000117.2
37G40.4Very low41.3Very low83 Ų83126.4 Ų126.486%0.85678%0.775SS**  cis169.4147.9-8.700000112.7
38G40.4Very low41.5Very low68 Ų68132.5 Ų132.570%0.70178%0.776SS**  trans92.4131.2-177.900000114
39E43.3Very low41.6Very low190 Ų190130.3 Ų130.389%0.88877%0.766SS**  cis94.313845-77.1173.5-155.100112.9
40S42.5Very low41.7Very low81 Ų81131.9 Ų131.957%0.56676%0.759SS**  cis-172.1173.8-9.544.30000111.7
41H45.8Very low41.9Very low161 Ų161135.6 Ų135.675%0.74576%0.755SS**  trans70157.9166.9-58.7-74.3000119.2
42E44.8Very low42Very low151 Ų151137.4 Ų137.471%0.70675%0.752SS**  cis-177.6169.1-31.6-110.9-169.2-90.700109.6
43N42.5Very low42.2Very low119 Ų119136.8 Ų136.864%0.63674%0.744SS**  cis-164.2150.7-21.8-148.2-13.5000113.8
44S40.9Very low42.2Very low90 Ų90135.5 Ų135.563%0.62974%0.735SS**  trans55.1160.2140.2650000126.9
45V42Very low42.4Very low119 Ų119131.2 Ų131.272%0.72172%0.723SS**  trans88.8130.8162.9-176.50000117.1
46D46.6Very low42.2Very low142 Ų142132.5 Ų132.576%0.75972%0.716SS**  cis99150.28.8-60.8-71.3000117.4
47V43.3Very low42.2Very low118 Ų118137.8 Ų137.872%0.71571%0.711SS**  cis-153.11462.9950000114.1
48Y40.3Very low42.1Very low204 Ų204138.6 Ų138.680%0.870%0.703SS**  trans37.8155.7148.9-104.2-92.2000127
49N43Very low42.1Very low128 Ų128146.6 Ų146.668%0.68471%0.714SS**  trans84.5162.6153.7-67.6-51.2000122.2
50K39.8Very low41.8Very low144 Ų144140.7 Ų140.763%0.62670%0.704SS**  cis178.1159.4-39.2-158164.9170.4-1640112.6
51Y42.6Very low41.7Very low170 Ų170142.8 Ų142.867%0.66771%0.713SS**  trans97.3153.3155.4-68.1-72.4000125
52Y41.1Very low41.2Very low212 Ų212144.1 Ų144.183%0.83172%0.72SS**  trans66.6131.7168.2-63.8-74.6000120.3
53D42.4Very low41Very low113 Ų113147.2 Ų147.260%0.60473%0.727SS**  cis111.9150.90.3-163.938.5000118K55D53-K55 WeakPolarHBondContact OD1-CE 3.47Å; D53-K55 IonicContact OD1-NZ 3.99Å; D53-K55 PolarHBondContact OD1-NZ 3.44Å; D53-K55 IonicContact OD2-NZ 2.72Å; D53-K55 PolarHBondContact OD2-NZ 3.31Å
54S40.5Very low40.7Very low98 Ų98148.2 Ų148.269%0.68574%0.737SS**  trans83.9136.2179.372.20000117.9
55K43.2Very low40.8Very low153 Ų153149.5 Ų149.567%0.66575%0.746SS**  cis93.813428.7-60150-149.5161.10112.2D53D53-K55 WeakPolarHBondContact OD1-CE 3.47Å; D53-K55 IonicContact OD1-NZ 3.99Å; D53-K55 PolarHBondContact OD1-NZ 3.44Å; D53-K55 IonicContact OD2-NZ 2.72Å; D53-K55 PolarHBondContact OD2-NZ 3.31Å
56K40.8Very low40.9Very low155 Ų155151.5 Ų151.567%0.67475%0.753SS**  cis-172.1174.41.7-115.1-167.6179.4-175.10111
57Y40.3Very low40.8Very low195 Ų195152.3 Ų152.377%0.76576%0.757SS**  trans73.2159.4165.1-54.5-74.7000119.1
58S37Very low40.8Very low99 Ų99150.7 Ų150.769%0.69275%0.751SS**  cis136.3106.8-27.4178.60000115.5
59Y40.5Very low40.8Very low237 Ų237145.4 Ų145.493%0.92974%0.744SS**  trans-173.1153.8159.1-100.9-76.9000110.6
60G38.5Very low40.9Very low66 Ų66147.4 Ų147.468%0.6875%0.747SS**  cis164.54.3-19.900000123
61T39.1Very low41.1Very low124 Ų124150.6 Ų150.676%0.76176%0.756SS**  trans-147.2141.2-176.254.40000117.7
62E35.9Very low41Very low189 Ų189147.7 Ų147.788%0.88376%0.756SS**  trans-105.7163.9163.1-60.3178.4146.400110.9
63Y41.7Very low40.8Very low216 Ų216147.2 Ų147.285%0.84776%0.755SS**  trans-149.2140.5165.7-88.1-79.4000112.2
64T36.2Very low40.5Very low141 Ų141144.5 Ų144.587%0.86575%0.753SS**  trans-130.7147.5166.951.10000109.6
65S43Very low40.6Very low117 Ų117148.4 Ų148.482%0.81876%0.758SS**  trans-164.7130170.857.50000111
66D42.6Very low40.2Very low161 Ų161148 Ų14886%0.86176%0.763SS**  trans-69.5161.1171.9-50.3-92.4000112.5
67D45.8Very low40.1Very low159 Ų159150.6 Ų150.685%0.8577%0.77SS**  trans-149.2165.5141.2-147.8-16.7000111.5
68S42Very low40Very low83 Ų83147.7 Ų147.758%0.5877%0.768SS**  trans-147.2134.5-141.661.80000116
69S40.5Very low40.1Very low93 Ų93153 Ų15365%0.6578%0.779SS**  trans63.7142.5152.473.20000120
70K46.1Very low40Very low171 Ų171152.7 Ų152.774%0.74378%0.777SS**  168.7125.7111.4-90.5149.7-172.4163.60114.9
71Y42.8Very low39.9Very low210 Ų210154.5 Ų154.582%0.82478%0.779SS**  trans60.7161.7139.3-71.6-116.6000119.6
72T40.8Very low39.9Very low110 Ų110157.9 Ų157.968%0.67578%0.78SS**  -169.5166.4-65.127.50000109.6
73Y36.3Very low40.3Very low202 Ų202153.8 Ų153.879%0.79276%0.764SS**  trans80.2150.4154-127-92.3000118K75Y73-K75 HydrophobicContact CE1-CD 4.29Å
74G36.9Very low40.2Very low56 Ų56152.1 Ų152.158%0.57776%0.761SS**  trans-157.9-177.9174.500000110.7
75K42.8Very low40.6Very low179 Ų179154.8 Ų154.878%0.77876%0.756SS**  trans-173.4148.2169.2-107.2153.8-173.7178.30112Y73Y73-K75 HydrophobicContact CE1-CD 4.29Å
76N33.6Very low40.5Very low144 Ų144153.9 Ų153.977%0.7775%0.75SS**  trans-93.4161.7158.8-77.4-21.8000109.9
77Y39.6Very low40.4Very low210 Ų210155.6 Ų155.682%0.82475%0.746SS**  160.7127.5128.3-88.8-66.2000113
78D38Very low40.4Very low135 Ų135153.7 Ų153.772%0.72274%0.736SS**  trans29.3133.5149.1-43.3-19.2000123.4
79K38.8Very low40.5Very low211 Ų211158 Ų15892%0.91774%0.744SS**  -164160.5123.7-115.4172.8-177.5178.20116.3
80Y39.2Very low40.7Very low230 Ų230163.4 Ų163.490%0.90275%0.752SS**  trans-94.1-171.8-175.1-88.6-104.3000114.3
81S36.4Very low40.6Very low104 Ų104158.4 Ų158.473%0.72775%0.749SS**  trans90.4143.6165.8-99.20000117.4
82Y38Very low40.5Very low195 Ų195157.4 Ų157.477%0.76575%0.751SS**  cis-165.7157.7-3.2-147-134000111.4
83D44Very low40.9Very low102 Ų102159.2 Ų159.255%0.54575%0.752SS.*  trans54.5152.8157.6-7410.1000121.2
84K41.1Very low41.3Very low181 Ų181158.8 Ų158.879%0.78775%0.754SS**  cis-167.4141.445.8-147.6164.6-170.8173.60114.2
85Y44.1Very low41.7Very low197 Ų197158.9 Ų158.977%0.77376%0.755SS**  trans10.1146147.1-59.7-106.4000119.8
86S40.4Very low42Very low98 Ų98157.8 Ų157.869%0.68576%0.758SS**  cis-174.1-162.71042.90000108.5
87Y41.2Very low42.7Very low198 Ų198157.5 Ų157.578%0.77675%0.752SS**  cis-160.5175.113.1-146.2-80000110.3
88D45.2Very low43.3Very low119 Ų119150.8 Ų150.864%0.63673%0.727SS**  trans-60.9175.3-177-22.9-36.2000117.4
89K44.6Very low43.6Very low173 Ų173154.9 Ų154.975%0.75273%0.734SS**  -175.9122.561.3-162.7176-174.4173.70117.7
90Y44.5Very low43.7Very low207 Ų207149.5 Ų149.581%0.81273%0.728SS**  trans52.2148.1148.9-64.6-136.5000120.4
91G43.1Very low43.7Very low66 Ų66148 Ų14868%0.6872%0.722SS**  cis129.4109.9-10.900000116.2
92H42.7Very low43.9Very low189 Ų189145.9 Ų145.988%0.87572%0.717SS**  trans-167163.7151.8-135.4-88.6000114.3
93E47.9Very low44.2Very low147 Ų147143.9 Ų143.969%0.68771%0.712SS**  trans-125.9175.1-166.3-48.6173.1136.600116.1
94K45.6Very low44.1Very low193 Ų193145.7 Ų145.784%0.83972%0.722SS**  trans87.1142.8158.9-60.8164.2-172.4177.90118.6
95G44.4Very low44.2Very low58 Ų58146.6 Ų146.660%0.59872%0.722SS**  cis161.4138-11.400000115.2
96D49.2Very low44.2Very low156 Ų156143.9 Ų143.983%0.83472%0.716SS**  trans62.4161.9146-44.9-28.8000121.2
97E49.7Very low44.4Very low139 Ų139147.8 Ų147.865%0.6572%0.721SS**  cis-171.7179.7-24.7-97.6-157.8138.200107.9
98K50.9Low44.6Very low69 Ų69141.2 Ų141.230%0.371%0.714SS.*  cis-161.7114.3-7.8-120.9176.6-177.8133.10112.6D390K98-D390 VanDerWaalsContact CE-O 3.27Å; K98-D390 WeakPolarHBondContact CE-O 3.36Å; K98-D390 PolarHBondContact NZ-O 3.16Å
99Y45.2Very low44.5Very low221 Ų221147.4 Ų147.487%0.86773%0.73SS**  trans50.9-170.4159.5-51.9-69.4000119.7
100A41.2Very low44.3Very low97 Ų97146.6 Ų146.680%0.80273%0.733SS**  cis-164.1179.41.900000109.2
101Y38Very low44.2Very low199 Ų199144.6 Ų144.678%0.7873%0.729SS**  cis-178.7143.9-27.3155.3-93.1000110.6K103Y101-K103 HydrophobicContact CE1-CD 4.45Å; Y101-K103 HydrophobicContact CE1-CG 4.41Å
102G41.1Very low44.4Very low60 Ų60151 Ų15162%0.61973%0.734SS**  trans142.8171.2160.700000117
103K44.9Very low44.4Very low152 Ų152145.8 Ų145.866%0.66172%0.724SS**  cis-173.3135.7-28.7-139.2178.2-174.7176.90111.5Y101Y101-K103 HydrophobicContact CE1-CD 4.45Å; Y101-K103 HydrophobicContact CE1-CG 4.41Å
104N41.7Very low44Very low140 Ų140149.6 Ų149.675%0.74973%0.733SS**  trans67.3166.2169.7-49.8-26.9000116.3
105Y43.7Very low44Very low200 Ų200148.2 Ų148.278%0.78474%0.735SS**  cis-157.7176.414.332.1-107.5000113
106E43.4Very low44Very low141 Ų141153.1 Ų153.166%0.65974%0.74SS**  trans73.2155.9165.2-63.9-161.5141.900119.4
107K44Very low43.6Very low180 Ų180155.4 Ų155.478%0.78374%0.738SS**  cis-168.4153.7-28.9-108.7174.5-173.8161.20109.2
108G45Very low43.1Very low60 Ų60151.5 Ų151.562%0.61974%0.735SS**  trans121.198.5136.800000122.1
109Y43.9Very low42.6Very low248 Ų248159.3 Ų159.397%0.97376%0.764SS**  trans71.2156.3141.4-61.5-75000122.6
110D39.4Very low42.3Very low156 Ų156152 Ų15283%0.83476%0.757SS**  trans-140.8143-162.2163.835.4000110.4
111K43.9Very low42.1Very low165 Ų165155.3 Ų155.372%0.71775%0.753SS**  trans-167.594.7176.4-160.5168.3-173.3177.10117
112Y46.4Very low42.3Very low202 Ų202155.3 Ų155.379%0.79275%0.753SS**  trans64.5149.9150.9-53.9-33.5000119.2
113A42.1Very low42Very low79 Ų79155.3 Ų155.365%0.65375%0.753SS**  cis-165.9144.1-17.100000111.6
114Y39.8Very low41.7Very low227 Ų227159.5 Ų159.589%0.8977%0.766SS**  trans43106.3156.4-78.1-89.7000121
115D46.2Very low41.5Very low163 Ų163160.5 Ų160.587%0.87277%0.771SS**  trans-92.2161.3145.1-167.610.2000110.3
116K43.5Very low41.2Very low161 Ų161159.4 Ų159.470%0.777%0.771SS**  trans-134.989.5-154.1-174-173.1168.4-173.30114.4
117Y42.6Very low41.2Very low204 Ų204164.5 Ų164.580%0.879%0.786SS**  trans65.2140.2172.3-47.9-67.8000115.4
118G38.5Very low40.9Very low57 Ų57158.4 Ų158.459%0.58877%0.774SS**  cis104.8128500000112.6
119Y40.2Very low40.6Very low233 Ų233166.4 Ų166.491%0.91479%0.787SS**  trans66.3146.5-171-50.2-86.7000115
120G39.2Very low40.2Very low68 Ų68161.3 Ų161.370%0.70178%0.777SS**  cis133129.1-18.100000116.1
121K36.9Very low40Very low166 Ų166161.9 Ų161.972%0.72277%0.772SS**  trans81.5124155.3-136.1-177.2-174.7-156.30118.4
122Y42.2Very low40.1Very low200 Ų200164.3 Ų164.378%0.78478%0.778SS**  trans65.4156.1175-43.3-67.3000114.9
123G33.9Very low39.7Very low60 Ų60158.2 Ų158.262%0.61978%0.776SS**  cis149147.2-4.800000111.3
124Y39Very low39.3Very low240 Ų240166 Ų16694%0.94179%0.79SS**  trans80.2125.5-175.9-66.6-85000118.3
125D38.4Very low39.5Very low160 Ų160162.9 Ų162.986%0.85679%0.789SS**  trans-77.2174154.6177.429.2000110
126K36.5Very low39Very low178 Ų178162.2 Ų162.277%0.77478%0.779SS**  trans101.895.2177.8-169-173.4179.2-179.40115.3
127Y44Very low38.9Very low248 Ų248164.6 Ų164.697%0.97379%0.785SS**  trans-108.6113148.3-88.4-76.1000110.7
128G37.5Very low38.6Very low52 Ų52158.6 Ų158.654%0.53679%0.785SS.*  trans-144.5154.5168.800000110
129Y37.6Very low38.6Very low227 Ų227167.5 Ų167.589%0.8980%0.802SS**  trans76.7105.3179.7-69.3-85.5000118.5
130D35.5Very low38.7Very low142 Ų142164.2 Ų164.276%0.75980%0.801SS**  60.9108.5118.8-170.212.5000119.7
131K36.8Very low38.8Very low168 Ų168169 Ų16973%0.7380%0.803SS**  trans-153.8152.6132.4-141.9165.8-172.3170.80110.9
132Y44.7Very low39.3Very low216 Ų216171.6 Ų171.685%0.84781%0.809SS**  trans67.1132.7-178.6-41.5-80.9000114.2
133G38.8Very low39.2Very low73 Ų73165.9 Ų165.975%0.75381%0.811SS**  cis-179.9145.3-5.600000109.3D135G133-D135 PolarHBondContact O-N 3.36Å
134Y34.5Very low39.4Very low242 Ų242174 Ų17495%0.94982%0.824SS**  trans-65.5131.2-177.3-85.6-105.3000112.1
135D43.6Very low39.5Very low163 Ų163170.2 Ų170.287%0.87282%0.82SS**  trans-150.6178.9145.3-136.9-32.3000112.6G133G133-D135 PolarHBondContact O-N 3.36Å
136K34.7Very low39.6Very low148 Ų148169.5 Ų169.564%0.64381%0.81SS**  trans-126.1130.8-140.5-159.8-173.6-178.5-178.10114.4
137Y42.5Very low40Very low212 Ų212171.2 Ų171.283%0.83181%0.813SS**  trans74.5137.3176.5-52.2-75.3000117.4
138G36.2Very low39.8Very low78 Ų78162.9 Ų162.980%0.80480%0.802SS**  trans153.166.6171.400000115.2
139Y37.9Very low39.8Very low243 Ų243171.9 Ų171.995%0.95382%0.822SS**  trans-84.4119.9170.1-91.1-91.4000110.6
140D42.2Very low40Very low165 Ų165164.8 Ų164.888%0.88282%0.818SS**  trans-92.3157.6166.7-164.510000111.3
141K41.6Very low39.9Very low169 Ų169167.3 Ų167.374%0.73582%0.822SS**  trans-130.897.7-158.5-172.2-171.9174.1-174.40113.4
142Y47.6Very low40.1Very low220 Ų220170.2 Ų170.286%0.86383%0.83SS**  trans73.4129.9160.2-70.8-124.9000116.2
143G39.4Very low39.6Very low79 Ų79164 Ų16481%0.81482%0.818SS**  trans-81.6161.4176.800000113.9
144Y38.1Very low39.6Very low230 Ų230170.8 Ų170.890%0.90282%0.822SS**  trans-88.9139175-80.8-113.2000111.7
145D40.8Very low39.7Very low161 Ų161165.3 Ų165.386%0.86181%0.809SS**  trans-146.6171.2133.6-147.7-14.5000110.7
146K40.3Very low39.4Very low145 Ų145163.9 Ų163.963%0.6380%0.795SS**  -139.8125.4-125.3-176.2172.4171.8-178.10116
147Y45.6Very low39.8Very low215 Ų215166.3 Ų166.384%0.84380%0.802SS**  trans73113.9168.2-58.5-43.5000119.8
148G38.9Very low39.5Very low72 Ų72159.4 Ų159.474%0.74280%0.795SS**  trans-120.8124.3154.100000111
149Y38.8Very low39.5Very low242 Ų242166.7 Ų166.795%0.94980%0.799SS**  trans16.7127.4167.3-75-87.8000122.8
150G40.5Very low39.5Very low78 Ų78161.7 Ų161.780%0.80479%0.79SS**  trans-96.3167.9161.800000113.8
151K34.6Very low39.2Very low195 Ų195161.3 Ų161.385%0.84878%0.78SS**  trans-115.4117.8-161.3165.5-162.4171.6-175.70113.3
152Y40.5Very low39.3Very low228 Ų228161.9 Ų161.989%0.89478%0.779SS**  trans-167.6157.9167.6-74.8-48.9000109
153S34.8Very low38.6Very low85 Ų85154.4 Ų154.459%0.59477%0.769SS**  cis-172142.8-23.5-109.10000111
154Y37.7Very low38.7Very low217 Ų217161.7 Ų161.785%0.85177%0.773SS**  trans62.8162.4164.7-78.5-115.2000117.2
155D38Very low38.6Very low126 Ų126159.8 Ų159.867%0.67477%0.773SS**  cis-174.7179.8-28.2-179.230.1000108.7
156K37.6Very low38.4Very low133 Ų133160.7 Ų160.758%0.57877%0.769SS**  trans93112.2154.1-74.8-171.7163.4-152.40122.1
157Y41.9Very low38.5Very low200 Ų200163.5 Ų163.578%0.78478%0.777SS**  trans67.6143153.1-46.2-54.5000118.1
158G35.8Very low37.8Very low66 Ų66156.7 Ų156.768%0.6877%0.772SS**  cis165.8167.6-7.200000113.6
159Y37.8Very low37.8Very low231 Ų231163.7 Ų163.791%0.90678%0.778SS**  trans78.189.8171.6-66.7-79.7000120.2
160D36.6Very low37.9Very low139 Ų139159.3 Ų159.374%0.74377%0.771SS**  trans-21.6145.8136.6165.442.1000117.2Y162D160-Y162 PolarHBondContact OD1-N 3.36Å
161K36.7Very low37.6Very low157 Ų157165 Ų16568%0.68377%0.773SS**  trans-152.1124.7141.8-141.4-177.3-177.3-158.10113.8
162Y42.3Very low38.1Very low181 Ų181166.8 Ų166.871%0.7178%0.776SS**  trans7883.2167.3-55.5-65.9000118.3D160D160-Y162 PolarHBondContact OD1-N 3.36Å
163G34.7Very low38Very low63 Ų63158.8 Ų158.865%0.64976%0.763SS**  trans-88.3155.7144.900000112
164Y39.7Very low38.2Very low231 Ų231165.2 Ų165.291%0.90678%0.776SS**  trans-153110.2158.3-106.2-70.4000109.8
165E36.3Very low38.3Very low191 Ų191162.2 Ų162.289%0.89377%0.769SS**  trans-81.5149.5172.5-57.2175.3131.300110.4
166K38Very low38.3Very low179 Ų179165.7 Ų165.778%0.77878%0.779SS**  trans-151.799.5161-159.2161.1-172.91770114.7
167Y41.1Very low38.3Very low204 Ų204162.1 Ų162.180%0.878%0.78SS**  trans59.6108.5162-57.1-50.3000119.7
168G32.4Very low38.2Very low72 Ų72163 Ų16374%0.74278%0.783SS**  trans-111.6125.1132.900000110
169Y38.2Very low38.5Very low220 Ų220165.3 Ų165.386%0.86378%0.78SS**  trans-162.6132.6160.4-91.1-76.3000102.9
170D40.9Very low38.6Very low150 Ų150163.9 Ų163.980%0.80278%0.778SS**  -152.916767.541.416.4000114.2
171K34Very low39Very low196 Ų196166.8 Ų166.885%0.85278%0.78SS**  trans-145.279.4-176.2-173.7-164.9171.5-176.90111.6
172Y46.2Very low39.2Very low233 Ų233162.4 Ų162.491%0.91478%0.78SS**  trans-140.6150.1165.9-63.6-85.5000107.3
173G36.3Very low39Very low60 Ų60159.7 Ų159.762%0.61979%0.787SS**  cis138129.96.100000108.6
174Y39.5Very low39.4Very low220 Ų220164 Ų16486%0.86380%0.795SS**  trans71.9130-160.2-66.3-92.4000114
175E40.2Very low39.4Very low154 Ų154161.3 Ų161.372%0.7279%0.788SS**  cis9587.422.7-167-165.9-116.500115
176K37.4Very low39.9Very low199 Ų199163.3 Ų163.387%0.86579%0.789SS**  -168.7155.6119-106.8171.8-177.2175.90111.5
177G37.8Very low39.9Very low58 Ų58158.6 Ų158.660%0.59879%0.792SS**  trans-117.6-149.3174.500000111.8
178Y40.2Very low39.8Very low220 Ų220160.2 Ų160.286%0.86380%0.798SS**  trans74.2145.7-166.7-51.9-78.5000112.1
179D42.9Very low40.2Very low113 Ų113165.3 Ų165.360%0.60480%0.802SS**  cis-130160.721.6-104.5-56.3000117Y181D179-Y181 HydrophobicContact CB-CD2 3.87Å; D179-Y181 HydrophobicContact CB-CE2 3.99Å; D179-Y181 WeakPolarHBondContact OD2-CE2 3.5Å
180K39.1Very low40.3Very low202 Ų202162.3 Ų162.388%0.87879%0.794SS**  trans-140.682.6162.1-176.4-171.4174.2-177.90108.3G182K180-G182 PolarHBondContact O-N 3.46Å
181Y44Very low40.3Very low200 Ų200158.8 Ų158.878%0.78479%0.793SS**PPolyproline II helixtrans-65.6129.4-176.7-92.4-80.7000112.9D179D179-Y181 HydrophobicContact CB-CD2 3.87Å; D179-Y181 HydrophobicContact CB-CE2 3.99Å; D179-Y181 WeakPolarHBondContact OD2-CE2 3.5Å
182G42.2Very low40.8Very low65 Ų65158.5 Ų158.567%0.6779%0.788SS**PPolyproline II helixtrans-89.8156.6158.900000110.6K180K180-G182 PolarHBondContact O-N 3.46Å
183S37.9Very low40.5Very low124 Ų124154.5 Ų154.587%0.86778%0.783SS**PPolyproline II helixtrans-75.4127.3179.8-490000111.9
184D42.8Very low40.7Very low153 Ų153160.6 Ų160.682%0.81879%0.792SS**  trans-151.4114.8150.3-122.6-29.8000115.1
185K40.8Very low41Very low175 Ų175160.9 Ų160.976%0.76179%0.793SS**  trans29.2102.3136.2-156176.5-1741780120.7
186Y45.4Very low40.9Very low232 Ų232156.9 Ų156.991%0.9179%0.793SS**  trans57.7105.4149-73.6-103.5000119.4
187G39.6Very low41Very low81 Ų81153.2 Ų153.284%0.83579%0.792SS**  trans-164.2117.115800000109.7
188Y38.6Very low41.1Very low237 Ų237158.4 Ų158.493%0.92981%0.807SS**  trans-135.8101.1-164.7-158.9-76.8000111
189E41Very low41.2Very low179 Ų179157.6 Ų157.684%0.83681%0.807SS**  trans-156.6155.2154-124.7-179.9165.400115.7
190K40.3Very low41.4Very low157 Ų157163.9 Ų163.968%0.68383%0.825SS**  trans-51.1139.5-166-68.2155.4172.8166.60117.2Y192K190-Y192 HydrophobicContact CD-CE2 4.35Å
191G40.4Very low41.6Very low77 Ų77157.4 Ų157.479%0.79482%0.815SS**  trans-111145.7144.500000109.9
192Y44.3Very low41.7Very low190 Ų190156 Ų15675%0.74582%0.821SS**  trans-103.1167.4-177.5-84.8-83.6000113.4K190K190-Y192 HydrophobicContact CD-CE2 4.35Å
193D39.2Very low41.8Very low149 Ų149160.4 Ų160.480%0.79782%0.824SS**  trans-64.1156-169.9-45.3-87.8000116
194K41.5Very low42.1Very low187 Ų187163.1 Ų163.181%0.81382%0.821SS**  trans-154.790.9155.6-160.3177.5-176.4177.60114.9
195Y46.3Very low42.1Very low227 Ų227159.5 Ų159.589%0.8982%0.819SS**  trans55134.5155.6-64-113.7000118.2
196G37.9Very low42.3Very low69 Ų69161.5 Ų161.571%0.71182%0.823SS**  cis153.5126.6-2.800000110.5
197S38.3Very low42.1Very low122 Ų122157.7 Ų157.785%0.85382%0.819SS**  trans-152.276.7-177.3-75.60000112.7
198D41Very low42.2Very low168 Ų168162.9 Ų162.990%0.89882%0.818SS**  trans-105.6121.4168.1-74-53.4000110.5
199K41.7Very low42.6Very low202 Ų202162.5 Ų162.588%0.87882%0.817SS**  trans-157.165164.4-145.5173.9-174.4-1800116.1
200Y48Very low42.6Very low246 Ų246157.5 Ų157.597%0.96581%0.813SS**  trans-134145.6149.2-77.4-87.6000106.7
201G43.4Very low42.6Very low66 Ų66155.9 Ų155.968%0.6882%0.822SS**  cis-156.9-174.8-3.400000110.1
202D45.3Very low42.7Very low171 Ų171159.6 Ų159.691%0.91482%0.824SS**  trans-53.1147.9-160.3-73.7-89.5000120.1
203E44.3Very low42.5Very low157 Ų157160.4 Ų160.473%0.73483%0.831SS**  trans-80.4117.4170.8170.7-157.7-112.600111.7
204K45Very low42.8Very low181 Ų181163.9 Ų163.979%0.78783%0.834SS**  trans168.7122.8142.1-92.1143.9-157.3135.10112.4
205G41.7Very low42.6Very low76 Ų76158.3 Ų158.378%0.78483%0.83SS**  trans-17894.7174.500000112.8
206Y45.1Very low42.2Very low217 Ų217158.9 Ų158.985%0.85183%0.832SS**  trans-63158-168.4-71-91.5000116.7
207D41.5Very low42.4Very low152 Ų152163.7 Ų163.781%0.81384%0.836SS**  trans-43.8142.1174-59.5-75.8000116.5
208K41.6Very low42.4Very low190 Ų190166.4 Ų166.483%0.82683%0.833SS**  -161.5125122.9-133166.3-178.4173.60115.2
209Y47.8Very low42.5Very low229 Ų229162.1 Ų162.190%0.89883%0.828SS**  trans16.8125.2148.7-70.2-101.3000119.8
210G39.7Very low42.5Very low74 Ų74162.4 Ų162.476%0.76383%0.825SS**  trans-150.512.8-177.100000120.2
211S41.2Very low41.9Very low123 Ų123157.9 Ų157.986%0.8682%0.818SS**  trans67.4124.5170.2-54.50000119.7
212D41Very low41.9Very low156 Ų156163.3 Ų163.383%0.83482%0.822SS**  trans-66.8152.1164.7-50.4-88.9000113.2
213K40.5Very low41.8Very low206 Ų206164.9 Ų164.990%0.89682%0.817SS**  trans-151.4134.1142.3-156.8168.8-177.7177.30113.1
214Y46Very low41.6Very low222 Ų222161.1 Ų161.187%0.87182%0.82SS**  trans-67.7130.9-179-83.6-112.6000113.7
215G36.8Very low41.5Very low70 Ų70158 Ų15872%0.72282%0.822SS**  trans39.1137.3131.300000123
216Y38.5Very low41.6Very low239 Ų239160.8 Ų160.894%0.93782%0.819SS**  -153.6153.6123.1-134.3-103.2000111.2
217E41.3Very low41.3Very low171 Ų171160 Ų16080%0.79982%0.819SS**  trans-108.9168.7176.4-162.6177.2-141.500110.2
218K39.3Very low41.4Very low178 Ų178162.7 Ų162.777%0.77482%0.82SS**  trans71.5104.4-174.9-69-179.9171.2175.60117.2
219G41.9Very low41.3Very low78 Ų78157.7 Ų157.780%0.80482%0.822SS**PPolyproline II helixtrans-95.7157.1143.800000110.3
220Y41.6Very low40.9Very low208 Ų208156 Ų15682%0.81682%0.815SS**PPolyproline II helixtrans-103.8161.8-168.5-83.1-101.8000114.8
221D37.3Very low40.9Very low151 Ų151161 Ų16181%0.80782%0.818SS**PPolyproline II helixtrans-63.8158.2-178.2-45.8-86.5000115.2
222K41.6Very low41Very low180 Ų180162.3 Ų162.378%0.78381%0.809SS**  trans-158.1124.4153.1-116.3-175.8-179.5178.10113.6
223Y43.9Very low40.9Very low204 Ų204157.8 Ų157.880%0.880%0.799SS**  trans59.595.4164-65.9-78.6000119.7
224G41.1Very low41.2Very low78 Ų78157.2 Ų157.280%0.80479%0.793SS**  trans-115.6135.4137.300000108.5
225S42.6Very low41.1Very low116 Ų116152.9 Ų152.981%0.81179%0.785SS**  trans-90.2150.6-169.8-57.60000114.2
226D43.6Very low41.1Very low135 Ų135158.4 Ų158.472%0.72279%0.789SS**  trans-65.9154.2-175.5-46.5-96.7000115.1
227K38.7Very low41.4Very low200 Ų200158.2 Ų158.287%0.8779%0.788SS**  -163.891.4111.3-160.5163.7-175.2175.10114.8
228Y43.8Very low41.3Very low209 Ų209153 Ų15382%0.8278%0.781SS**  trans33.4125.1146.6-75-90000122.6
229G39.4Very low41.5Very low84 Ų84150.2 Ų150.287%0.86678%0.783SS**  trans-165.789.115400000110.5
230Y40.1Very low41.6Very low195 Ų195152 Ų15277%0.76578%0.775SS**  trans-106.2145.4-175.8-169.2-91.5000111.8K232Y230-K232 HydrophobicContact CE1-CB 4.47Å; Y230-K232 HydrophobicContact CE1-CD 4.37Å
231E39.7Very low41.7Very low177 Ų177149.7 Ų149.783%0.82777%0.769SS**  trans-115130.6-172.2177.8-178.2-127.900111.3
232K42.5Very low42Very low152 Ų152153.2 Ų153.266%0.66177%0.772SS**  trans-168140.7158.1-121.6169.4-174.61690112.4Y230 Y234Y230-K232 HydrophobicContact CE1-CB 4.47Å; Y230-K232 HydrophobicContact CE1-CD 4.37Å; K232-Y234 HydrophobicContact CD-CE2 4.4Å; K232-Y234 HydrophobicContact CG-CE2 4.41Å
233G39.5Very low41.9Very low61 Ų61148.1 Ų148.163%0.62977%0.771SS**  trans-142.2165.6164.800000110
234Y45Very low41.8Very low194 Ų194145.9 Ų145.976%0.76177%0.773SS**  trans-148.4156.2171-82-70.7000112.2K232K232-Y234 HydrophobicContact CD-CE2 4.4Å; K232-Y234 HydrophobicContact CG-CE2 4.41Å
235D44.4Very low42Very low131 Ų131148.6 Ų148.670%0.70176%0.764SS**  trans-38.5152-177.4-49.9-63.9000117.5
236K37.5Very low42Very low185 Ų185150.6 Ų150.680%0.80476%0.758SS**  cis86.172.927.8-163.4-153.5171.8-178.60116.7
237Y45.5Very low42Very low235 Ų235150.2 Ų150.292%0.92276%0.761SS**  trans-156.1151.2148.3-82.1-80.3000108.3
238G39.4Very low42.4Very low63 Ų63151.1 Ų151.165%0.64976%0.76SS**  cis151.9100.1-13.500000114.4
239S42.7Very low42.6Very low118 Ų118146.5 Ų146.583%0.82575%0.75SS**  trans66.7163.4172.3-48.50000115.7
240D43.6Very low42.9Very low117 Ų117149.4 Ų149.463%0.62674%0.739SS**  cis-158.6158.9-6-130.921.9000111.5
241K42.8Very low43.3Very low158 Ų158149.4 Ų149.469%0.68774%0.738SS**  trans64.2123.7142.5-73.4174.9179.9152.20125.9
242Y44Very low43.5Very low226 Ų226143.9 Ų143.989%0.88673%0.73SS**  trans60.1148.9134.9-69.5-72.2000123.7
243G40.3Very low43.6Very low73 Ų73146 Ų14675%0.75374%0.735SS**  trans104.497.1172.700000112.9
244D40.8Very low44Very low157 Ų157148.8 Ų148.884%0.8474%0.735SS**  cis93143.533.1-148.3-3.8000114.6
245E45.7Very low44.1Very low135 Ų135146 Ų14663%0.63173%0.727SS**  trans69.6131.6172.4-60.5-151.7124.600124.6
246K43.9Very low44.4Very low157 Ų157149.9 Ų149.968%0.68373%0.733SS**  trans64.1125.3143.4-64.3158.7-170.6155.30120
247V43.3Very low44.7Very low128 Ų128144.5 Ų144.578%0.77673%0.73SS**  cis83.2113.437179.30000115.3
248Y46Very low44.6Very low219 Ų219138.7 Ų138.786%0.85972%0.724SS**  trans-166.5113143.2-98.1-76000108.1
249D48.4Very low45.1Very low112 Ų112142.2 Ų142.260%0.59973%0.728SS**  84.6138.2105.4-15642.8000113
250K46.3Very low45.2Very low145 Ų145142.9 Ų142.963%0.6372%0.716SS**  cis-161.3130.831.6-166.6175.6-145.985.20115.3
251Y48Very low45.4Very low194 Ų194146.9 Ų146.976%0.76172%0.724SS**  trans51.1137.3166.7-61.1-49.3000121.7Y253Y251-Y253 HydrophobicContact CD1-CE2 4.3Å
252G43.7Very low45.4Very low62 Ų62142.8 Ų142.864%0.63973%0.726SS**  cis165.7155.4-1200000116
253Y44.4Very low45.4Very low196 Ų196141.8 Ų141.877%0.76972%0.723SS**  trans64145.6162.7-55.9-79.7000118.7Y251Y251-Y253 HydrophobicContact CD1-CE2 4.3Å
254D48.8Very low45.6Very low119 Ų119146 Ų14664%0.63672%0.723SS**  cis-168.5167.4-15.5-116.920000107.1
255K47Very low45.7Very low137 Ų137148.6 Ų148.660%0.59673%0.726SS**  cis174.7163.1-20171.2-178.6173.7-173.10110.5
256Y51.3Low45.6Very low212 Ų212145 Ų14583%0.83173%0.726SS**  trans70.2139.9-178.6-60.6-72.1000116
257G42.3Very low45.7Very low72 Ų72148.7 Ų148.774%0.74274%0.737SS**  cis-162.3163.5-2.800000112.7
258S44.7Very low45.6Very low113 Ų113149.5 Ų149.579%0.7974%0.737SS**  trans-113.5-170.7-163.7-48.60000114.3
259D49.4Very low45.5Very low137 Ų137147.8 Ų147.873%0.73373%0.734SS**  trans85.5144.6151.5-79.924.2000119.1
260K45.5Very low45.1Very low131 Ų131152.7 Ų152.757%0.5775%0.746SS**  cis-176.7177.3-7.4175.1171168.1-164.40111.9
261Y47.6Very low44.8Very low201 Ų201149.6 Ų149.679%0.78876%0.755SS**  trans80.4145.4167.7-48.5-78000117.5
262G41.6Very low44.1Very low72 Ų72151.7 Ų151.774%0.74276%0.763SS**  cis167113.7-11.900000117.2
263Y44.7Very low43.7Very low206 Ų206154.8 Ų154.881%0.80877%0.765SS**  trans49.2126.4146.4-101.3-115000125.4
264E44.3Very low43.2Very low161 Ų161152.1 Ų152.175%0.75276%0.757SS**  trans57.9124.1136.8-76.4-172.815900126.8
265K43.2Very low42.7Very low211 Ų211155.7 Ų155.792%0.91776%0.763SS**  trans-176.4145.3131.3-102.9174.3-178.9175.30109.4
266G44Very low42.3Very low60 Ų60152.6 Ų152.662%0.61977%0.77SS**  cis163.7141.1-13.100000113.5
267Y44.7Very low41.8Very low235 Ų235151.7 Ų151.792%0.92277%0.766SS**  trans79.1127.9162.8-60-81000122.4
268D41.4Very low41.7Very low144 Ų144156.2 Ų156.277%0.7777%0.768SS**  trans-100.3144155.4149.946.5000109.2
269K43.4Very low41.4Very low183 Ų183159.8 Ų159.880%0.79677%0.769SS**  trans-162.8111.7159.8-152.2175.6-177.6178.80115.1
270Y41.2Very low41.2Very low216 Ų216163.8 Ų163.885%0.84778%0.776SS**  trans34.4134143.6-66.4-115.4000121.2
271G38.9Very low40.8Very low80 Ų80160.9 Ų160.983%0.82578%0.783SS**  trans175.2123.615500000116.9
272Y33.6Very low40.2Very low237 Ų237162 Ų16293%0.92979%0.787SS**  trans-92.4172171.4-100.7-109.3000112
273D35.2Very low40.1Very low127 Ų127166.2 Ų166.268%0.67979%0.793SS**  trans83.699.4150.7-142.4-115.4000120.6
274K33.3Very low39.6Very low141 Ų141162.8 Ų162.861%0.61378%0.782SS**  72.9143.9114.1-152.9-174.5-174.9-174.70122.2
275Y39.1Very low39.2Very low194 Ų194165.1 Ų165.176%0.76179%0.786SS**  trans77.6148.9170.1-62.7-65.7000120
276G39.8Very low38.7Very low71 Ų71158.5 Ų158.573%0.73278%0.777SS**  trans102.847.6171.100000116.5
277Y40.2Very low38.2Very low193 Ų193167.1 Ų167.176%0.75779%0.793SS**  58.8112.982-104-89.2000117.1
278E40.1Very low37.8Very low167 Ų167164.8 Ų164.878%0.7879%0.79SS**  trans58.1125.5152.1-73.6171.2-165.800123.2
279K38.7Very low37.5Very low188 Ų188165.8 Ų165.882%0.81779%0.788SS**  trans-147.578143.8-165.6170.4-178.6176.40113.4
280Y45.9Very low37.2Very low222 Ų222166.4 Ų166.487%0.87179%0.786SS**  trans61.6144.1166-55.2-83.7000118.7
281G35.7Very low37Very low69 Ų69159.9 Ų159.971%0.71179%0.785SS**  cis-161.2141-200000113.7
282Y34.6Very low36.9Very low224 Ų224165.6 Ų165.688%0.87878%0.783SS**  trans-84.8151.6156.6-81.4-101.6000108.8
283D41.1Very low37.3Very low162 Ų162162 Ų16287%0.86678%0.78SS**  -140.6161.7114-149.1-9.3000110.5
284K33.3Very low37.3Very low133 Ų133162.1 Ų162.158%0.57877%0.774SS**  trans-142140.4-173.7169.7-173.9171.6-174.40107.2
285Y36.6Very low37.8Very low211 Ų211165.1 Ų165.183%0.82778%0.783SS**  trans91.7109.2-172.4-53.3-65000114.4
286G32.9Very low37.7Very low72 Ų72159.1 Ų159.174%0.74278%0.78SS**  trans-170.598.4173.200000110.1E288G286-E288 PolarHBondContact O-N 3.45Å
287Y33.4Very low37.7Very low241 Ų241166 Ų16695%0.94579%0.786SS**  trans-92.289.6177.9-104.8-94.6000109.8
288E36.7Very low37.7Very low185 Ų185163.8 Ų163.886%0.86479%0.787SS**  trans-125.7118172.9-60.5-173.314700107.3G286G286-E288 PolarHBondContact O-N 3.45Å
289K33.2Very low37.4Very low165 Ų165165.1 Ų165.172%0.71779%0.79SS**  cis77.899.129.4-152.9-166.3-178.3-171.40113.5
290Y38.1Very low37.4Very low196 Ų196167.2 Ų167.277%0.76979%0.794SS**  trans80.3120.1-177.3-57.4-71.8000116
291G36.6Very low37Very low79 Ų79160.1 Ų160.181%0.81479%0.789SS**  trans-175.865.8-177.700000109.7
292Y36.7Very low37Very low201 Ų201167.4 Ų167.479%0.78880%0.797SS**  trans-31136.6-173.3-75.9-100.8000117.6
293D41.7Very low37.4Very low162 Ų162163.9 Ų163.987%0.86679%0.793SS**  -128165.9123.3-153.7-8.2000109.5
294K36.1Very low37.1Very low129 Ų129163.2 Ų163.256%0.56178%0.783SS**  trans-140138.3-151-166.1-171.3179.5-162.30112.2
295Y43.1Very low37.4Very low204 Ų204166.5 Ų166.580%0.879%0.793SS**  trans75.1122.6-178-50.7-78.8000115.3
296G36.8Very low37.4Very low68 Ų68159.4 Ų159.470%0.70178%0.784SS**  trans168.557179.700000117.6
297Y41.5Very low37.8Very low216 Ų216166.9 Ų166.985%0.84779%0.791SS**  trans66.9128.8162.7-73.8-88.5000122.3
298D40.1Very low38.1Very low145 Ų145163.8 Ų163.878%0.77579%0.785SS**  trans45.5108.6147-60.4-20.5000123.1
299K31.9Very low37.9Very low195 Ų195164.4 Ų164.485%0.84879%0.785SS**  trans-147.371.8142.1-166-175.2176176.40112.7
300Y39Very low38.3Very low232 Ų232165.3 Ų165.391%0.9179%0.786SS**  trans-146.196.1157.9-88.6-69.1000111
301G38.4Very low38.1Very low74 Ų74159.5 Ų159.576%0.76379%0.785SS**  trans-149.5122.8171.100000108.6
302Y36.1Very low38.2Very low222 Ų222164.9 Ų164.987%0.87178%0.782SS**  trans-84.1131.8178.9-85.2-112.7000110.2
303D43Very low38.5Very low149 Ų149163.3 Ų163.380%0.79779%0.787SS**  trans-127.2143.3148.1-164-22.9000107.7
304K35Very low38.4Very low149 Ų149165 Ų16565%0.64879%0.787SS**  trans-153.1115.6-176.4-170.7-164.6-179.3-166.90108.8
305Y39.4Very low38.7Very low201 Ų201169.9 Ų169.979%0.78880%0.803SS**  trans80.6101.6-177-51.4-69.9000115.9
306G36.8Very low38.5Very low63 Ų63163.4 Ų163.465%0.64980%0.799SS**  trans-149.7100.3169.800000112.4
307Y40.3Very low38.6Very low228 Ų228168.3 Ų168.389%0.89481%0.809SS**  trans61.597.5161-62-79.4000119.9
308E38.9Very low38.7Very low176 Ų176166.4 Ų166.482%0.82281%0.808SS**  trans-77.7141.9152.6-64.7179.910400111.6
309K33.5Very low38.7Very low199 Ų199168.1 Ų168.187%0.86581%0.808SS**  trans42.985.1134.5-165.6-175.5-179.5-178.90118
310Y42Very low39.3Very low184 Ų184169.8 Ų169.872%0.72281%0.811SS**  trans-115.2110.4151.7-88.7-84.1000110.9Y312Y310-Y312 HydrophobicContact CD1-CD2 4.1Å; Y310-Y312 AromaticContact CD1-CE2 3.36Å; Y310-Y312 HydrophobicContact CD1-CE2 3.36Å; Y310-Y312 AromaticContact CD1-CZ 3.92Å; Y310-Y312 HydrophobicContact CE1-CE2 4.07Å; Y310-Y312 HydrophobicContact CG-CE2 4.03Å
311G33.3Very low39.3Very low73 Ų73162.5 Ų162.575%0.75381%0.806SS**  trans-93129.4158.800000108.6
312Y39.1Very low39.4Very low193 Ų193169.8 Ų169.876%0.75781%0.813SS**  trans-121.897.7175.3-91.7-75.2000109.7Y310Y310-Y312 HydrophobicContact CD1-CD2 4.1Å; Y310-Y312 AromaticContact CD1-CE2 3.36Å; Y310-Y312 HydrophobicContact CD1-CE2 3.36Å; Y310-Y312 AromaticContact CD1-CZ 3.92Å; Y310-Y312 HydrophobicContact CE1-CE2 4.07Å; Y310-Y312 HydrophobicContact CG-CE2 4.03Å
313D42.8Very low39.7Very low167 Ų167166.6 Ų166.689%0.89381%0.81SS**  trans-68.3135.3168.9-74.1-44.4000110.3Y315D313-Y315 PolarHBondContact O-N 3.15Å
314K40.4Very low39.5Very low198 Ų198169 Ų16986%0.86181%0.814SS**  trans-91.499.1-168.1-175.4-177.6176.3-176.60111.6
315Y40.6Very low40Very low231 Ų231173.5 Ų173.591%0.90683%0.828SS**  trans30.299.3153.6-71.4-87.4000117.4D313D313-Y315 PolarHBondContact O-N 3.15Å
316G40.2Very low40Very low69 Ų69167.6 Ų167.671%0.71183%0.829SS**  trans-160.794.1165.700000112.1
317N38.2Very low40.4Very low170 Ų170172.3 Ų172.391%0.90984%0.839SS**  trans-172123149.6-106.6-64000109.8
318E44.6Very low40.7Very low177 Ų177168.2 Ų168.283%0.82783%0.833SS**  trans-106.7163.1169-61.1-174.2120.400110
319K40.1Very low41.1Very low180 Ų180168.2 Ų168.278%0.78383%0.83SS**  trans80.496.7142.2-148171-168.9169.30119.6
320Y44Very low41.6Very low230 Ų230168 Ų16890%0.90283%0.832SS**  trans45123.9136.1-71.3-90.2000121
321G39.6Very low41.6Very low79 Ų79162.7 Ų162.781%0.81483%0.833SS**  trans-170.450.7170.300000114.6
322Y39Very low42.2Very low228 Ų228168.9 Ų168.989%0.89484%0.842SS**  trans-90.8116168-90.6-88.3000110
323D43Very low42.4Very low154 Ų154162.7 Ų162.782%0.82484%0.837SS**  trans174.2102.4137.451.8-4.2000115.1
324K38Very low42.5Very low201 Ų201162 Ų16287%0.87483%0.826SS**  trans-160.477.1143-143.9169.5-172.3173.70115.4
325Y45.5Very low42.8Very low242 Ų242160 Ų16095%0.94983%0.825SS**  trans-125.8118.2144-92.2-82.9000107.6
326G39.2Very low42.9Very low77 Ų77157 Ų15779%0.79481%0.813SS**  trans-97.6120.2166.100000108.2
327D46.3Very low43Very low163 Ų163162.1 Ų162.187%0.87282%0.818SS**  trans-142.6151.2156.2-149.2-26.5000107.9
328D46.1Very low43.3Very low142 Ų142164.1 Ų164.176%0.75982%0.819SS**  trans-92.6154.9-158.2-92-48.3000114.7
329K47.9Very low43.1Very low176 Ų176165.5 Ų165.577%0.76582%0.818SS**  trans96.9133160.8-53.7147.3-171.1161.30118.5
330H44.2Very low43.1Very low194 Ų194160.4 Ų160.490%0.89882%0.817SS**  trans77.7144167.9-47.1106.7000116.8
331G41.6Very low42.9Very low72 Ų72159.2 Ų159.274%0.74281%0.812SS**  trans-167-153.3-176.800000111.6
332H45.5Very low42.9Very low203 Ų203161.8 Ų161.894%0.9481%0.812SS**  trans80.291.4-174.5-79.9-74.9000118.5
333G44.1Very low43.3Very low63 Ų63159.8 Ų159.865%0.64981%0.808SS**  trans-147.3114.5138.100000105.4
334K45.3Very low43.4Very low154 Ų154160.5 Ų160.567%0.6781%0.806SS**  55.3120.287.2-62.3-176.3-179.3179.80110.4Y336K334-Y336 HydrophobicContact CG-CE1 3.94Å
335D46Very low43.5Very low156 Ų156160.8 Ų160.883%0.83480%0.803SS**  cis-127.6176.538.6-62-49.7000116.2
336Y42.3Very low43.3Very low168 Ų168155.1 Ų155.166%0.65980%0.799SS**  trans-152.5138.8-175.829.8-104000110.8K334K334-Y336 HydrophobicContact CG-CE1 3.94Å
337E42.5Very low43.7Very low176 Ų176159.4 Ų159.482%0.82280%0.796SS**  trans168.4101.6137.6-97.6-176-167.600112.4
338K44.5Very low43.4Very low211 Ų211159.1 Ų159.192%0.91780%0.795SS**  trans-155.6135.6143.8-147.8162.3-174.3171.60110.7
339Y41.5Very low43Very low206 Ų206161.5 Ų161.581%0.80879%0.794SS**  trans-67.1136.2-163.5-80.3-108000114.8Y341Y339-Y341 HydrophobicContact CD1-CE2 4.43Å
340G40Very low43Very low74 Ų74162.4 Ų162.476%0.76380%0.798SS**  trans-166.2107.2166.500000110.5
341Y39.8Very low43.2Very low205 Ų205160.9 Ų160.980%0.80480%0.797SS**  trans-76.7138.1-175.2-91.9-111.2000112.8Y339Y339-Y341 HydrophobicContact CD1-CE2 4.43Å
342T39.1Very low43.2Very low133 Ų133166.7 Ų166.782%0.81680%0.798SS**  171163123.232.50000111.9
343K46.3Very low43Very low186 Ų186166.5 Ų166.581%0.80979%0.79SS**  trans65.591.3-177.6-60.5-176.7178.6-179.70114.2
344E45Very low43Very low169 Ų169172.8 Ų172.879%0.7980%0.8SS**  75.812070.2-69-169.510700115.6
345Y40Very low43Very low206 Ų206172.7 Ų172.781%0.80880%0.799SS**  trans43.290.3152.9-70-82.2000119.7
346S41.3Very low42.8Very low124 Ų124173.4 Ų173.487%0.86779%0.791SS**  -148.1137.7119.4-160.50000114.2N348S346-N348 PolarHBondContact O-N 3.4Å
347K48Very low42.8Very low167 Ų167172.7 Ų172.773%0.72680%0.799SS**  trans-69.9118.4-167.9-70.3155.3173.7172.90113.2Y349K347-Y349 PolarHBondContact O-N 3.49Å
348N41.4Very low43.1Very low157 Ų157171.4 Ų171.484%0.8479%0.79SS**  trans-9.8106.8132-176.811000114.8S346S346-N348 PolarHBondContact O-N 3.4Å
349Y36.8Very low43.1Very low191 Ų191170.2 Ų170.275%0.74978%0.782SS**  trans-161108.7166.1-111.3-79.8000109.4K347K347-Y349 PolarHBondContact O-N 3.49Å
350K48.5Very low43.3Very low195 Ų195168.6 Ų168.685%0.84879%0.787SS**SBendtrans-158.1-25164.6-123.7170.7-175.5178.10116.7
351D48.5Very low43.5Very low163 Ų163174.5 Ų174.587%0.87279%0.787SS**SBendtrans-105.534.8-175.7-62.7-57.4000114.8
352Y41.4Very low43.7Very low194 Ų194168.4 Ų168.476%0.76179%0.786SS**SBendtrans-142.2145.2170.8-129.6-102.3000111.2
353Y41.4Very low43.8Very low199 Ų199167.8 Ų167.878%0.7879%0.788SS**  trans65.983.5-170.8-74-87.2000117.1
354K43.3Very low43.7Very low195 Ų195169.9 Ų169.985%0.84879%0.79SS**  trans-144.265.2131.5-121.7177.6-175.7-175.50112.1
355K44.8Very low43.5Very low152 Ų152172.1 Ų172.166%0.66179%0.793SS**SBendtrans-136.3128172.4-168.5176.4-177.2174.80107.2
356Y41.8Very low43.6Very low171 Ų171171.1 Ų171.167%0.67180%0.796SS**  trans69.761.1-171.3-47.9-70.6000116.5K358Y356-K358 HydrophobicContact CD1-CG 4.43Å; Y356-K358 PolarHBondContact O-N 3.34Å
357D42Very low43.7Very low152 Ų152172.6 Ų172.681%0.81379%0.787SS**  trans-71113.4135-77.6-52000106.3
358K50.7Low43.4Very low149 Ų149173.8 Ų173.865%0.64879%0.788SS**  trans-113.1126.7-167.4-114-171.4178.6-175.70109.8Y356Y356-K358 HydrophobicContact CD1-CG 4.43Å; Y356-K358 PolarHBondContact O-N 3.34Å
359Y44.5Very low43.6Very low187 Ų187171.4 Ų171.473%0.73378%0.784SS**  trans42.396.8159.3-53.7-73000117.2
360D43.9Very low43.7Very low171 Ų171172.3 Ų172.391%0.91479%0.787SS**  trans-80.4151.2140.8-164.97000109.2
361Y44.6Very low43.4Very low199 Ų199173.6 Ų173.678%0.7879%0.787SS**  trans-134.392.6-155.2-139.8-82000113
362G43.5Very low43.1Very low76 Ų76175.1 Ų175.178%0.78479%0.786SS**  trans106.6106.7148.300000117.9
363S42.4Very low43.2Very low120 Ų120172 Ų17284%0.83978%0.782SS**  trans-137.5135.2131.550.50000109.3
364R43.4Very low43.3Very low230 Ų230171.5 Ų171.587%0.86879%0.787SS**  trans-122.4168.6169-59.9-178.4-168.8164.44.8106.7
365Y41.6Very low43.6Very low216 Ų216167.6 Ų167.685%0.84778%0.775SS**  trans70.1137.9-164.6-58.7-103.7000110.7
366E41.4Very low43.6Very low185 Ų185166.9 Ų166.986%0.86477%0.772SS**  cis-127.7152.14-58.1166.1130.400107.7
367K44.6Very low43.6Very low155 Ų155166.9 Ų166.967%0.67478%0.777SS**  cis89.880.718.9-131.8-162.4-173.3-162.60117.8
368Y40.9Very low43.7Very low192 Ų192165.9 Ų165.975%0.75377%0.772SS**  trans90.4155.6157.4-59.9-55.6000120.3
369S44.9Very low43.5Very low107 Ų107165.9 Ų165.975%0.74877%0.774SS**  trans69.9136.7179.483.50000115.1
370Y38.8Very low43.7Very low211 Ų211163.6 Ų163.683%0.82778%0.775SS**  cis-126.8141-11.4-104.2-88.9000108.9
371R44Very low43.6Very low221 Ų221164.6 Ų164.683%0.83477%0.774SS**  trans-94.3137.6152.4-80.7-172.6-178.8174.2-1.4108D373R371-D373 WeakPolarHBondContact CD-OD2 3.38Å
372K41.2Very low43.7Very low195 Ų195161.5 Ų161.585%0.84877%0.766SS**  trans-115.448.9175.3-111.7-165.3177.2-168.80110.6H374K372-H374 PolarHBondContact O-N 3.29Å
373D42.9Very low43.6Very low130 Ų130164 Ų16470%0.69576%0.762SS**  trans-94.677.1171.7-52.9-59.3000107.8R371 D375R371-D373 WeakPolarHBondContact CD-OD2 3.38Å; D373-D375 PolarHBondContact O-N 2.92Å
374H45Very low43.9Very low188 Ų188166.9 Ų166.987%0.8776%0.762SS**  trans-89.4100.8176-109.4-78.6000110.3K372K372-H374 PolarHBondContact O-N 3.29Å
375D48.6Very low43.9Very low112 Ų112163.1 Ų163.160%0.59975%0.754SS**  trans-60.4145.7170.9-148.6-5.6000111.3D373D373-D375 PolarHBondContact O-N 2.92Å
376K44.3Very low44.3Very low138 Ų138160.5 Ų160.560%0.675%0.754SS**  trans53115.1164.9-64.5131.6-171159.30119.6
377H42.7Very low44.7Very low170 Ų170157 Ų15779%0.78774%0.741SS**  -140.2107129.8-111-85.4000108.1H379H377-H379 AromaticContact ND1-NE2 3.83Å
378D44.9Very low44.8Very low132 Ų132156.9 Ų156.971%0.70674%0.743SS**  trans-74.9129.1174.6-51.1-66.8000108.9
379H46Very low45.2Very low149 Ų149154.5 Ų154.569%0.6974%0.738SS**  trans-139.467.2174.2-85.9-75.5000109.4H377 E381H377-H379 AromaticContact ND1-NE2 3.83Å; H379-E381 PolarHBondContact O-N 3.43Å
380D47.8Very low45.3Very low138 Ų138154.2 Ų154.274%0.73873%0.728SS**  trans-7199.3161.9-73.2-43.8000108.6H382D380-H382 PolarHBondContact O-N 3.1Å
381E42.1Very low45.7Very low193 Ų193149.9 Ų149.990%0.90272%0.715SS**  trans-75.769.3168.1-69.9-170.4161.500109.9H379H379-E381 PolarHBondContact O-N 3.43Å
382H46.6Very low45.9Very low134 Ų134147.4 Ų147.462%0.6271%0.706SS**  trans-97.6126.4179-108-74.4000112.3D380D380-H382 PolarHBondContact O-N 3.1Å
383D41.4Very low46.2Very low128 Ų128143.8 Ų143.868%0.68469%0.692SS**  trans40.293.8149.4-55.4-44.8000119
384H49Very low46.7Very low181 Ų181144.4 Ų144.484%0.83869%0.69SS**  trans-115.597.2148.4-87.4-78.5000110.7
385H43.3Very low47Very low151 Ų151142.7 Ų142.770%0.69968%0.682SS**  trans-57.8141.2147.1-87.6-110.7000108.6D387H385-D387 IonicContact CE1-OD2 2.96Å; H385-D387 IonicContact CG-OD2 3.84Å; H385-D387 IonicContact ND1-OD2 2.69Å; H385-D387 PolarHBondContact ND1-OD2 3.47Å
386D50.1Low47.2Very low161 Ų161143.8 Ų143.886%0.86168%0.684SS**  trans-141.4107.2146.5-101.3-43.7000109.1
387D49.5Very low47.5Very low110 Ų110144 Ų14459%0.58869%0.687SS**  trans-97.1141.2-177.7-89-72.3000110.4H385H385-D387 IonicContact CE1-OD2 2.96Å; H385-D387 IonicContact CG-OD2 3.84Å; H385-D387 IonicContact ND1-OD2 2.69Å; H385-D387 PolarHBondContact ND1-OD2 3.47Å
388H46.2Very low48.1Very low153 Ų153142.7 Ų142.771%0.70868%0.681SS**  trans74.5146.8149.8-86.7-116.1000122.7
389H49.1Very low48.6Very low143 Ų143141.5 Ų141.566%0.66267%0.674SS**  trans7695151.8-68.1-53.2000124.4
390D47.3Very low49.1Very low100 Ų100140.9 Ų140.954%0.53567%0.671SS.*  81.5153.3108.3-97.8-56.5000126.3K98K98-D390 VanDerWaalsContact CE-O 3.27Å; K98-D390 WeakPolarHBondContact CE-O 3.36Å; K98-D390 PolarHBondContact NZ-O 3.16Å
391H48.2Very low49.4Very low120 Ų120142.1 Ų142.156%0.55667%0.672SS**  trans71103.3147.9-77.428000124.5
392R46.8Very low50.1Low169 Ų169139.7 Ų139.764%0.63866%0.661SS**  79.8124.4113.7-75.1177.7-175.2-107.98.4125.9
393H49.2Very low50.5Low120 Ų120141.1 Ų141.156%0.55667%0.667SS**  trans96.9118.5130.1-71.2-49.8000124.3
394H51.9Low50.8Low142 Ų142143.4 Ų143.466%0.65767%0.674SS**  trans46.2136.8139-55.7-57000122.2
395H51.4Low50.8Low153 Ų153143.2 Ų143.271%0.70867%0.673SS**  -164.9139.877.6-103.1-84.8000111.6
396H53.5Low51.2Low135 Ų135143.2 Ų143.263%0.62567%0.673SS**  68.8143.7107.1-74-138.4000115.6
397E51Low51.3Low142 Ų142141.2 Ų141.266%0.66466%0.663SS**  cis-162.8163.412.4-119.3160.9-16100113.2
398H54.3Low51.7Low143 Ų143142.7 Ų142.766%0.66267%0.665SS**  trans70.3151.1149.1-74.7-148.7000121
399D55.5Low52.2Low107 Ų107143.5 Ų143.557%0.57267%0.667SS**  cis-150.3173.91.1-125-24000116.2
400H57Low52.5Low135 Ų135144.1 Ų144.163%0.62568%0.675SS**  trans-31.9176.1-179.5-44.1-48.4000121
401H54.8Low52.7Low164 Ų164142.5 Ų142.576%0.75968%0.682SS**  cis-159.7173.221.6-93.7-56.8000108.9
402H56.2Low53Low142 Ų142147.2 Ų147.266%0.65770%0.701SS**  cis-170.8179-36.5-146-124.8000110.1
403H54.6Low53.5Low164 Ų164142 Ų14276%0.75970%0.7SS**  trans60.3112165.5-74.4-68.2000122.8
404H48.2Very low53.7Low176 Ų176151.4 Ų151.482%0.81573%0.733SS**  trans-76.7164142.2-101.2-105.5000110.9
405E49Very low53.8Low177 Ų177151.9 Ų151.983%0.82774%0.736SS**  -173.9142110.8-98.3-170.1170.200115.9
406H51.3Low53.9Low152 Ų152151.8 Ų151.870%0.70474%0.738SS**  trans31.1109.6148.6-79.7-73.3000124.9
407D53.4Low53.9Low119 Ų119152.8 Ų152.864%0.63674%0.744SS**  94.2155.3112.1-109.4-53.1000125.4
408H56.2Low54.1Low140 Ų140153.4 Ų153.465%0.64875%0.749SS**  trans67.190.9149.2-7712.4000121.2
409K57.7Low54.1Low171 Ų171154.1 Ų154.174%0.74375%0.754SS**  155.3151.496.8-86.6149.4-174.4164.40115.2
410N55.1Low54Low155 Ų155157.2 Ų157.283%0.82977%0.766SS**  trans29.2126.7146-49.8-15.6000119.4
411G51.8Low53.8Low66 Ų66158.8 Ų158.868%0.6878%0.776SS**  cis122.5155.25.200000112.9
412K54.4Low53.7Low220 Ų220158.4 Ų158.496%0.95778%0.778SS**  trans71.6143.3-170.6-48.4174.1-176.9178.70113.5
413G57Low53.5Low59 Ų59159.8 Ų159.861%0.60879%0.788SS**  cis166.2174.1-6.600000112.5
414Y53.4Low53.4Low318 Ų318159.4 Ų159.4100%1.24779%0.79SS**  trans75.60-172.5-53.4-75.2000114.9

Retrieved 414 of 414 residues in 59.4 ms (Link to these results)