EGG1_SCHMA Loading...

Eggshell protein

AlphaFold DB , UniProt , Accession P06649, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 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
1M55.1Low64.4Low233 Ų233133.7 Ų133.7100%1.14869%0.694SS**  0100-58.1-168.9-75.100114.8
2K58.3Low63.8Low199 Ų199127.5 Ų127.587%0.86568%0.677SS**THydrogen-bonded Turntrans-81.6-17.7-175.1-65-178.7179.4-178.30115.5S4K2-S4 VanDerWaalsContact C-N 3.32Å; K2-S4 PolarHBondContact O-N 3.22Å
3Q58.4Low63.8Low180 Ų180125.5 Ų125.584%0.84167%0.665SS**THydrogen-bonded Turntrans-73.9-17.5-176.4-72.7-171.6-18.800114.5L5Q3-L5 PolarHBondContact O-N 2.85Å
4S67.6Low63.3Low85 Ų85119.2 Ų119.259%0.59464%0.644SS**Hα-helixtrans-70.8-31.2-178.5-175.40000112.7K2 T6K2-S4 VanDerWaalsContact C-N 3.32Å; K2-S4 PolarHBondContact O-N 3.22Å; S4-T6 PolarHBondContact O-N 3.15Å
5L64.6Low62.7Low118 Ų118121.7 Ų121.762%0.61864%0.642SS**Hα-helixtrans-73.7-31.2-170.1-146133.7000112.9Q3 F9Q3-L5 PolarHBondContact O-N 2.85Å; L5-F9 HydrophobicContact CD2-CD2 4.02Å; L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 PolarHBondContact O-N 3.16Å
6T66.9Low62Low93 Ų93117.7 Ų117.757%0.57163%0.632SS**Hα-helixtrans-70.3-37.3179.6-41.80000112.3S4 V8 F9 L10S4-T6 PolarHBondContact O-N 3.15Å; T6-V8 VanDerWaalsContact C-N 3.32Å; T6-V8 PolarHBondContact O-N 3.4Å; T6-F9 PolarHBondContact O-N 3.23Å; T6-L10 PolarHBondContact O-N 3.14Å
7L66.1Low61.2Low122 Ų122115.4 Ų115.464%0.63962%0.623SS**Hα-helixtrans-64.1-39.9178.3-164.985.4000111.2F9 L10 V11L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 2.94Å; L7-L10 PolarHBondContact O-N 2.9Å; L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.16Å
8V69.7Low60.5Low95 Ų95111.9 Ų111.958%0.57661%0.613SS**Hα-helixtrans-63-40.2178.11790000111.3T6 A12T6-V8 VanDerWaalsContact C-N 3.32Å; T6-V8 PolarHBondContact O-N 3.4Å; V8-A12 PolarHBondContact O-N 3.19Å; V8-A12 VanDerWaalsContact O-N 3.15Å
9F66.8Low59.7Low132 Ų132111.2 Ų111.258%0.57961%0.605SS**Hα-helixtrans-65.4-40.6177.9-98.4-87.8000113.1L5 T6 L7 A12 I13L5-F9 HydrophobicContact CD2-CD2 4.02Å; L5-F9 HydrophobicContact CD2-CE2 3.84Å; L5-F9 PolarHBondContact O-N 3.16Å; T6-F9 PolarHBondContact O-N 3.23Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 2.94Å; F9-A12 PolarHBondContact O-N 3.07Å; F9-I13 WeakPolarHBondContact O-CG1 3.5Å; F9-I13 PolarHBondContact O-N 2.92Å; F9-I13 VanDerWaalsContact O-N 3.11Å
10L66.8Low59Low117 Ų117111.2 Ų111.261%0.61361%0.608SS**Hα-helixtrans-68.5-39179.9-71.3171.2000112.4T6 L7 A12 I13 G14T6-L10 PolarHBondContact O-N 3.14Å; L7-L10 PolarHBondContact O-N 2.9Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-I13 PolarHBondContact O-N 2.97Å; L10-G14 PolarHBondContact O-N 2.75Å
11V67.7Low58.2Low97 Ų97111.4 Ų111.459%0.58861%0.613SS**Hα-helixtrans-64.9-39.7175.4175.60000110.9L7 G14 Y15L7-V11 WeakPolarHBondContact O-CG2 3.5Å; L7-V11 PolarHBondContact O-N 3.16Å; V11-G14 PolarHBondContact O-N 3.41Å; V11-Y15 WeakPolarHBondContact O-CB 3.29Å; V11-Y15 PolarHBondContact O-N 3.13Å
12A58.3Low57.3Low59 Ų59102.9 Ų102.949%0.48858%0.577SS.*Hα-helixtrans-65.4-42.9178.500000112.7V8 F9 L10 A16V8-A12 PolarHBondContact O-N 3.19Å; V8-A12 VanDerWaalsContact O-N 3.15Å; F9-A12 PolarHBondContact O-N 3.07Å; L10-A12 VanDerWaalsContact C-N 3.34Å; A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.27Å
13I63.6Low56.3Low102 Ų102101.3 Ų101.352%0.52357%0.572SS.*Hα-helixtrans-66.8-45.1177-63.5167.8000110.2F9 L10 Y15 A16 T17F9-I13 WeakPolarHBondContact O-CG1 3.5Å; F9-I13 PolarHBondContact O-N 2.92Å; F9-I13 VanDerWaalsContact O-N 3.11Å; L10-I13 PolarHBondContact O-N 2.97Å; I13-Y15 VanDerWaalsContact C-N 3.32Å; I13-Y15 PolarHBondContact O-N 2.91Å; I13-A16 PolarHBondContact O-N 3.36Å; I13-T17 HydrophobicContact CG2-CG2 4.43Å; I13-T17 WeakPolarHBondContact O-CG2 3.35Å; I13-T17 PolarHBondContact O-N 3.11Å; I13-T17 PolarHBondContact O-OG1 3.13Å; I13-T17 VanDerWaalsContact O-OG1 3.07Å
14G55.8Low55.4Low37 Ų37100.5 Ų100.538%0.38157%0.574SS.*Hα-helixtrans-59.6-41.2177.600000113L10 V11 T17 A18L10-G14 PolarHBondContact O-N 2.75Å; V11-G14 PolarHBondContact O-N 3.41Å; G14-T17 WeakPolarHBondContact CA-OG1 3.43Å; G14-T17 PolarHBondContact O-N 2.93Å; G14-T17 PolarHBondContact O-OG1 3.24Å; G14-A18 PolarHBondContact O-N 3.32Å; G14-A18 VanDerWaalsContact O-N 3.08Å
15Y54.4Low53.8Low156 Ų156105.8 Ų105.861%0.61258%0.582SS**Hα-helixtrans-67.7-42.8176.8-163-101.1000111.6V11 I13 T17 A18 H19V11-Y15 WeakPolarHBondContact O-CB 3.29Å; V11-Y15 PolarHBondContact O-N 3.13Å; I13-Y15 VanDerWaalsContact C-N 3.32Å; I13-Y15 PolarHBondContact O-N 2.91Å; Y15-T17 VanDerWaalsContact C-N 3.34Å; Y15-T17 PolarHBondContact O-N 2.98Å; Y15-A18 PolarHBondContact O-N 3.47Å; Y15-H19 AromaticContact CD1-CD2 3.66Å; Y15-H19 AromaticContact CD1-NE2 3.9Å; Y15-H19 AromaticContact CE1-CD2 3.42Å; Y15-H19 VanDerWaalsContact CE1-CD2 3.42Å; Y15-H19 WeakPolarHBondContact CE1-CD2 3.39Å; Y15-H19 AromaticContact CE1-NE2 3.2Å; Y15-H19 WeakPolarHBondContact CE1-NE2 3.45Å; Y15-H19 AromaticContact CE2-NE2 3.55Å; Y15-H19 AromaticContact CZ-CD2 3.65Å; Y15-H19 AromaticContact CZ-NE2 2.99Å; Y15-H19 PolarHBondContact O-CD2 3.5Å; Y15-H19 VanDerWaalsContact O-CD2 3.25Å; Y15-H19 PolarHBondContact O-N 3.29Å; Y15-H19 PolarHBondContact OH-NE2 2.94Å
16A51.4Low52.6Low58 Ų58106 Ų10648%0.47959%0.593SS.*Hα-helixtrans-63.2-39.2176.300000112.5A12 I13 A18 H19 T20A12-A16 WeakPolarHBondContact O-CB 3.39Å; A12-A16 PolarHBondContact O-N 3.27Å; I13-A16 PolarHBondContact O-N 3.36Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.45Å; A16-H19 PolarHBondContact O-N 3.39Å; A16-T20 PolarHBondContact O-N 3.31Å; A16-T20 PolarHBondContact O-OG1 3.19Å
17T49.6Very low50.9Low78 Ų78104.9 Ų104.948%0.47960%0.601SS.*Hα-helixtrans-71.8-25.5177.652.20000113.6I13 G14 Y15 T20 T21I13-T17 HydrophobicContact CG2-CG2 4.43Å; I13-T17 WeakPolarHBondContact O-CG2 3.35Å; I13-T17 PolarHBondContact O-N 3.11Å; I13-T17 PolarHBondContact O-OG1 3.13Å; I13-T17 VanDerWaalsContact O-OG1 3.07Å; G14-T17 WeakPolarHBondContact CA-OG1 3.43Å; G14-T17 PolarHBondContact O-N 2.93Å; G14-T17 PolarHBondContact O-OG1 3.24Å; Y15-T17 VanDerWaalsContact C-N 3.34Å; Y15-T17 PolarHBondContact O-N 2.98Å; T17-T20 PolarHBondContact O-OG1 2.97Å; T17-T21 PolarHBondContact O-OG1 3.22Å
18A48.5Very low49.2Very low54 Ų54102.3 Ų102.345%0.44660%0.604SS.*Hα-helixtrans-76.5-33.117600000112.4G14 Y15 A16 T21G14-A18 PolarHBondContact O-N 3.32Å; G14-A18 VanDerWaalsContact O-N 3.08Å; Y15-A18 PolarHBondContact O-N 3.47Å; A16-A18 VanDerWaalsContact C-N 3.34Å; A16-A18 PolarHBondContact O-N 3.45Å; A18-T21 PolarHBondContact O-OG1 3.17Å
19H44.6Very low47.7Very low98 Ų98109.3 Ų109.345%0.45462%0.621SS.*Hα-helixtrans-76.7-24.3-179.8-84.3-89.3000113.8Y15 A16Y15-H19 AromaticContact CD1-CD2 3.66Å; Y15-H19 AromaticContact CD1-NE2 3.9Å; Y15-H19 AromaticContact CE1-CD2 3.42Å; Y15-H19 VanDerWaalsContact CE1-CD2 3.42Å; Y15-H19 WeakPolarHBondContact CE1-CD2 3.39Å; Y15-H19 AromaticContact CE1-NE2 3.2Å; Y15-H19 WeakPolarHBondContact CE1-NE2 3.45Å; Y15-H19 AromaticContact CE2-NE2 3.55Å; Y15-H19 AromaticContact CZ-CD2 3.65Å; Y15-H19 AromaticContact CZ-NE2 2.99Å; Y15-H19 PolarHBondContact O-CD2 3.5Å; Y15-H19 VanDerWaalsContact O-CD2 3.25Å; Y15-H19 PolarHBondContact O-N 3.29Å; Y15-H19 PolarHBondContact OH-NE2 2.94Å; A16-H19 PolarHBondContact O-N 3.39Å
20T45.7Very low46.4Very low110 Ų110106.6 Ų106.668%0.67563%0.63SS**Hα-helixtrans-84.6-15.6175.953.50000113.8A16 T17A16-T20 PolarHBondContact O-N 3.31Å; A16-T20 PolarHBondContact O-OG1 3.19Å; T17-T20 PolarHBondContact O-OG1 2.97Å
21T41.7Very low45Very low116 Ų116104.5 Ų104.571%0.71264%0.637SS**SBendtrans-98.96.1178.852.30000114.6T17 A18T17-T21 PolarHBondContact O-OG1 3.22Å; A18-T21 PolarHBondContact O-OG1 3.17Å
22S37.8Very low43.7Very low54 Ų54102.5 Ų102.538%0.37864%0.637SS.*  trans-112.953.7173.159.70000111.6
23H36.5Very low42.8Very low167 Ų167104.5 Ų104.577%0.77365%0.646SS**  trans-112.919.2167.4-97.8-76.1000113.8
24D38.8Very low41.6Very low163 Ų163111 Ų11187%0.87267%0.665SS**  trans-107.835.8157.1-68.6-46.1000110.6S26D24-S26 VanDerWaalsContact C-N 3.28Å; D24-S26 PolarHBondContact O-N 3.39Å; D24-S26 VanDerWaalsContact O-N 3.1Å
25Y34.3Very low40.6Very low196 Ų196111.7 Ų111.777%0.76967%0.672SS**  trans-75.990.4157.9-105.5-88.1000108G27Y25-G27 PolarHBondContact O-N 3.09Å
26S40.6Very low40.1Very low121 Ų121110 Ų11085%0.84668%0.684SS**SBend25.968.8125.3167.50000114.4D24D24-S26 VanDerWaalsContact C-N 3.28Å; D24-S26 PolarHBondContact O-N 3.39Å; D24-S26 VanDerWaalsContact O-N 3.1Å
27G29.8Very low39.4Very low71 Ų71114 Ų11473%0.73270%0.697SS**  trans-173.475.9-176.700000113.6Y25Y25-G27 PolarHBondContact O-N 3.09Å
28G31.3Very low39.3Very low68 Ų68114.7 Ų114.770%0.70170%0.704SS**  trans91.2131.6168.200000112.1
29Y38.4Very low39.2Very low241 Ų241118.9 Ų118.995%0.94572%0.718SS**SBendcis-151.1120.831.1-78-101.4000108.1
30G39.4Very low38.9Very low75 Ų75119.7 Ų119.777%0.77374%0.736SS**  trans16370.6179.700000108.4G32G30-G32 PolarHBondContact O-N 3.14Å
31G37.3Very low38.5Very low73 Ų73117.6 Ų117.675%0.75374%0.736SS**  trans-52.1103.7178.600000109.5C33G31-C33 PolarHBondContact O-N 3.04Å
32G40.5Very low38.3Very low56 Ų56124 Ų12458%0.57775%0.749SS**  trans-66.9103.6168.100000106.9G30 Y34G30-G32 PolarHBondContact O-N 3.14Å; G32-Y34 WeakPolarHBondContact O-CD2 3.48Å; G32-Y34 PolarHBondContact O-N 3.34Å; G32-Y34 VanDerWaalsContact O-N 3.16Å
33C38.4Very low38.1Very low101 Ų101125.1 Ų125.168%0.68277%0.769SS**  trans-59.6116176.3-65.70000109.2G31 C38G31-C33 PolarHBondContact O-N 3.04Å; C33-C38 WeakPolarHBondContact CB-SG 3.47Å
34Y39.5Very low38.2Very low238 Ų238124.5 Ų124.593%0.93377%0.771SS**  trans-96.8100.2169.6-73.8-88000107.9G32G32-Y34 WeakPolarHBondContact O-CD2 3.48Å; G32-Y34 PolarHBondContact O-N 3.34Å; G32-Y34 VanDerWaalsContact O-N 3.16Å
35G34.1Very low38.1Very low51 Ų51122.8 Ų122.853%0.52677%0.772SS.*SBendtrans162.8151.7179.600000111D37G35-D37 PolarHBondContact O-N 3.25Å
36S44.7Very low38.3Very low122 Ų122115.9 Ų115.985%0.85376%0.76SS**SBendtrans-64.7-6.1179.6-43.80000113.6
37D36.3Very low38.3Very low142 Ų142122.6 Ų122.676%0.75977%0.769SS**  trans-11544.6-169.2-49-55.7000111.3G35 D39G35-D37 PolarHBondContact O-N 3.25Å; D37-D39 PolarHBondContact O-N 3.24Å
38C47.4Very low38.8Very low92 Ų92122.5 Ų122.562%0.62277%0.768SS**  trans-76.450163.3-60.60000110.3C33C33-C38 WeakPolarHBondContact CB-SG 3.47Å
39D45.5Very low38.9Very low141 Ų141122.7 Ų122.775%0.75477%0.77SS**  trans-104.4132.6174.1-124.1-77.1000106.6D37D37-D39 PolarHBondContact O-N 3.24Å
40S38.9Very low38.7Very low116 Ų116115 Ų11581%0.81177%0.765SS**SBendtrans88.396.4-177.4-47.50000115
41G37.6Very low38.7Very low66 Ų66115.7 Ų115.768%0.6876%0.756SS**  trans-63.7157.4174.300000114.2
42Y36.7Very low39Very low250 Ų250119.6 Ų119.698%0.9877%0.766SS**  trans-164.299.4145.9-95.2-76.6000104.6
43G33.7Very low38.6Very low78 Ų78119.4 Ų119.480%0.80476%0.764SS**  trans-179.942-17200000114.1S45G43-S45 PolarHBondContact O-N 3.37Å; G43-S45 VanDerWaalsContact O-N 3.08Å
44D38.2Very low38.6Very low153 Ų153118.6 Ų118.682%0.81877%0.773SS**  trans-60.996.3168.6-148.4-69.4000109.2
45S37.5Very low38.5Very low127 Ų127114.9 Ų114.989%0.88877%0.769SS**  trans-160.659.7165.4-79.90000109.8G43G43-S45 PolarHBondContact O-N 3.37Å; G43-S45 VanDerWaalsContact O-N 3.08Å
46G38.1Very low38.9Very low51 Ų51115.8 Ų115.853%0.52677%0.767SS.*SBendtrans-175.7105.4169.600000106G48G46-G48 VanDerWaalsContact C-N 3.31Å; G46-G48 PolarHBondContact O-N 3.11Å
47Y42Very low38.4Very low262 Ų262113.6 Ų113.6100%1.02776%0.763SS**SBendtrans-48.197.5171.2-97.7-98000108.9
48G38.8Very low38.2Very low70 Ų70110 Ų11072%0.72276%0.76SS**  trans148.347.5-166.800000111G46 G50G46-G48 VanDerWaalsContact C-N 3.31Å; G46-G48 PolarHBondContact O-N 3.11Å; G48-G50 PolarHBondContact O-N 3.39Å
49G34.3Very low37.7Very low72 Ų72109.4 Ų109.474%0.74277%0.769SS**  trans-51.6135.7172.500000110.6
50G33.8Very low37.5Very low80 Ų80113.9 Ų113.983%0.82578%0.777SS**  trans-61.7155.3-178.800000112.2G48G48-G50 PolarHBondContact O-N 3.39Å
51C39.6Very low37.5Very low88 Ų88112.3 Ų112.360%0.59578%0.779SS**  trans-146.7110.9154.767.70000108.1C56C51-C56 HydrophobicContact CB-CB 4.27Å; C51-C56 WeakPolarHBondContact CB-SG 3.2Å; C51-C56 PolarHBondContact O-SG 3.47Å; C51-C56 WeakPolarHBondContact SG-CB 3.42Å; C51-C56 CovalentContact SG-SG 2.02Å; C51-C56 PolarHBondContact SG-SG 2.98Å
52T44.4Very low37.5Very low155 Ų155112.8 Ų112.895%0.95178%0.784SS**  trans-98.6102.4172.9380000107.5
53G31.3Very low37.4Very low53 Ų53104.6 Ų104.655%0.54678%0.775SS.*SBendtrans158.7136.8179.900000110D55 C56G53-D55 PolarHBondContact O-N 3.45Å; G53-C56 PolarHBondContact O-N 3.37Å
54G38.6Very low37.5Very low84 Ų84104.9 Ų104.987%0.86676%0.764SS**THydrogen-bonded Turntrans-63.26.8-168.100000117.2
55D38Very low37.9Very low159 Ų159103.6 Ų103.685%0.8577%0.767SS**THydrogen-bonded Turntrans-125.230.8-175-64.5-66.6000112.7G53 G57G53-D55 PolarHBondContact O-N 3.45Å; D55-G57 PolarHBondContact O-N 2.94Å
56C41.5Very low37.8Very low71 Ų71100.8 Ų100.848%0.4876%0.759SS.*  trans-73.160165.9-61.80000112.2C51 G53C51-C56 HydrophobicContact CB-CB 4.27Å; C51-C56 WeakPolarHBondContact CB-SG 3.2Å; C51-C56 PolarHBondContact O-SG 3.47Å; C51-C56 WeakPolarHBondContact SG-CB 3.42Å; C51-C56 CovalentContact SG-SG 2.02Å; C51-C56 PolarHBondContact SG-SG 2.98Å; G53-C56 PolarHBondContact O-N 3.37Å
57G33.4Very low37.8Very low76 Ų76101.1 Ų101.178%0.78476%0.761SS**  trans-88.8115.8157.200000108.5D55D55-G57 PolarHBondContact O-N 2.94Å
58G33.7Very low37.8Very low66 Ų6696.7 Ų96.768%0.6876%0.756SS**  trans143.562.8167.200000116
59G35.2Very low38Very low79 Ų7997.6 Ų97.681%0.81475%0.75SS**  trans-123.784.4160.400000109.1G61G59-G61 PolarHBondContact O-N 3.5Å
60Y41.3Very low37.8Very low235 Ų23597.3 Ų97.392%0.92275%0.747SS**  trans-69118.8174.6-72-101.3000110
61G38.8Very low38.5Very low83 Ų83100.6 Ų100.686%0.85675%0.746SS**  trans144.7116.3163.900000112.2G59G59-G61 PolarHBondContact O-N 3.5Å
62G37.8Very low38.5Very low77 Ų77107.3 Ų107.379%0.79476%0.76SS**  cis-169.293.31.400000105.9C64G62-C64 PolarHBondContact O-N 3.15Å
63G35.6Very low38.1Very low77 Ų77103.4 Ų103.479%0.79475%0.75SS**  trans-83106.417100000108.3S65G63-S65 PolarHBondContact O-N 3.33Å
64C35.4Very low38.2Very low85 Ų85104.3 Ų104.357%0.57476%0.76SS**  trans-69.381.7165.4-68.90000109G62 G66 C69G62-C64 PolarHBondContact O-N 3.15Å; C64-G66 VanDerWaalsContact C-N 3.31Å; C64-G66 PolarHBondContact O-N 3.1Å; C64-G66 VanDerWaalsContact O-N 3.14Å; C64-C69 HydrophobicContact CB-CB 3.89Å; C64-C69 WeakPolarHBondContact CB-SG 2.96Å; C64-C69 WeakPolarHBondContact SG-CB 2.91Å; C64-C69 CovalentContact SG-SG 2.04Å; C64-C69 PolarHBondContact SG-SG 2.79Å
65S46.6Very low38.1Very low126 Ų126102.7 Ų102.788%0.88174%0.744SS**  trans-7983.8166.1169.60000108.4G63G63-S65 PolarHBondContact O-N 3.33Å
66G35.4Very low38.2Very low68 Ų68104.7 Ų104.770%0.70174%0.741SS**SBendtrans114.7117.4166.300000113.7C64C64-G66 VanDerWaalsContact C-N 3.31Å; C64-G66 PolarHBondContact O-N 3.1Å; C64-G66 VanDerWaalsContact O-N 3.14Å
67G37.5Very low38.1Very low57 Ų57104.9 Ų104.959%0.58876%0.755SS**SBendtrans70.598.5162.300000114.5
68D42.7Very low38.2Very low169 Ų169104.2 Ų104.290%0.90475%0.748SS**  trans6173.6147.5-50.7-44.3000116.9
69C42.6Very low38.7Very low90 Ų90108.4 Ų108.461%0.60876%0.755SS**  trans-98.297.4161.7-68.30000109.5C64C64-C69 HydrophobicContact CB-CB 3.89Å; C64-C69 WeakPolarHBondContact CB-SG 2.96Å; C64-C69 WeakPolarHBondContact SG-CB 2.91Å; C64-C69 CovalentContact SG-SG 2.04Å; C64-C69 PolarHBondContact SG-SG 2.79Å
70G31.4Very low38.8Very low66 Ų66108.8 Ų108.868%0.6874%0.744SS**  trans-82.6141.2-166.900000117.5Y72G70-Y72 PolarHBondContact O-N 3.02Å
71N48.1Very low38.6Very low149 Ų149105.4 Ų105.480%0.79774%0.742SS**SBend51.313.8127.1-141.930.8000123.6
72Y39.7Very low38.3Very low229 Ų229104.7 Ų104.790%0.89873%0.734SS**SBendtrans-135.975.8166.1-68.6-79.4000112.2G70G70-Y72 PolarHBondContact O-N 3.02Å
73G36.7Very low38.2Very low72 Ų72104.7 Ų104.774%0.74273%0.734SS**SBendtrans155.387.2174.100000109.9G75G73-G75 PolarHBondContact O-N 2.94Å
74G33.5Very low38.2Very low73 Ų73108.3 Ų108.375%0.75374%0.735SS**  trans-46.5133.5-176.900000112
75G34.5Very low38.4Very low50 Ų50108.2 Ų108.252%0.51573%0.734SS.*  62.1112.776.600000107.4G73G73-G75 PolarHBondContact O-N 2.94Å
76Y40.4Very low37.7Very low201 Ų201104.9 Ų104.979%0.78872%0.72SS**  cis-161.911735.3-42.7-85.8000104.9
77G40Very low37.9Very low75 Ų75108.3 Ų108.377%0.77372%0.722SS**  trans-167.637.3179.800000109.5D79G77-D79 PolarHBondContact O-N 3.07Å
78G36.1Very low37.6Very low62 Ų62114.9 Ų114.964%0.63973%0.731SS**  trans-63127.4175.500000108.5C80G78-C80 PolarHBondContact O-N 3.43Å; G78-C80 VanDerWaalsContact O-N 3.12Å
79D43.4Very low37Very low154 Ų154110.6 Ų110.682%0.82473%0.727SS**  trans-42.1114.5179.6-58.8-74.3000111.7G77 N81G77-D79 PolarHBondContact O-N 3.07Å; D79-N81 PolarHBondContact O-N 3.48Å
80C38Very low36.3Very low87 Ų87110.3 Ų110.359%0.58874%0.739SS**  trans-73.466.9178-62.90000110.8G78 G82 C85G78-C80 PolarHBondContact O-N 3.43Å; G78-C80 VanDerWaalsContact O-N 3.12Å; C80-G82 PolarHBondContact O-N 2.94Å; C80-C85 VanDerWaalsContact CA-SG 3.52Å; C80-C85 HydrophobicContact CB-CB 3.98Å; C80-C85 WeakPolarHBondContact CB-SG 3.17Å; C80-C85 WeakPolarHBondContact SG-CB 3.17Å; C80-C85 CovalentContact SG-SG 1.99Å; C80-C85 PolarHBondContact SG-SG 3.5Å
81N37.3Very low36.1Very low164 Ų164109.7 Ų109.788%0.87773%0.732SS**  trans-8886.6173.8-136.3-24.3000108.5D79D79-N81 PolarHBondContact O-N 3.48Å
82G31.6Very low35.2Very low67 Ų67114 Ų11469%0.69174%0.739SS**SBendtrans107.297.8172.900000114.2C80 D84C80-G82 PolarHBondContact O-N 2.94Å; G82-D84 PolarHBondContact O-N 3.25Å; G82-D84 VanDerWaalsContact O-N 3.08Å
83G36.6Very low34.5Very low77 Ų77106.6 Ų106.679%0.79473%0.733SS**SBendtrans91.6-60.414600000116.7
84D34.1Very low34.1Very low154 Ų154107.5 Ų107.582%0.82474%0.742SS**  trans-137.576.8-158.8-68.6-55000112.6G82 G86G82-D84 PolarHBondContact O-N 3.25Å; G82-D84 VanDerWaalsContact O-N 3.08Å; D84-G86 PolarHBondContact O-N 3.39Å
85C39.6Very low33.7Very low82 Ų82107.4 Ų107.455%0.55474%0.741SS**  trans-91.168.5158.2-72.30000109.3C80 N87C80-C85 VanDerWaalsContact CA-SG 3.52Å; C80-C85 HydrophobicContact CB-CB 3.98Å; C80-C85 WeakPolarHBondContact CB-SG 3.17Å; C80-C85 WeakPolarHBondContact SG-CB 3.17Å; C80-C85 CovalentContact SG-SG 1.99Å; C80-C85 PolarHBondContact SG-SG 3.5Å; C85-N87 PolarHBondContact O-N 3.02Å
86G32.5Very low33.7Very low57 Ų57113.8 Ų113.859%0.58876%0.763SS**  trans-65.1113.7160.200000109.1D84D84-G86 PolarHBondContact O-N 3.39Å
87N39.4Very low33.2Very low139 Ų139107.5 Ų107.574%0.74376%0.76SS**SBendtrans67.867.5137.2-16326.4000118.3C85C85-N87 PolarHBondContact O-N 3.02Å
88Y31.6Very low32.8Very low195 Ų195107.4 Ų107.477%0.76576%0.758SS**  trans-151.8101150.5-68.4-72.3000110.9
89G29.1Very low32.6Very low80 Ų80108.2 Ų108.283%0.82577%0.767SS**SBendtrans16971171.400000116.1
90G28.1Very low32Very low84 Ų84105.5 Ų105.587%0.86676%0.759SS**  trans83.3128161.200000114
91G27Very low32Very low52 Ų52107 Ų10754%0.53677%0.771SS.*  cis160.7137.212.900000105.5
92Y29.7Very low32Very low240 Ų240102.8 Ų102.894%0.94177%0.766SS**  trans5087.4153.6-28.7-77.4000116.5
93G26.3Very low32.1Very low74 Ų74102.6 Ų102.676%0.76376%0.763SS**  trans179.388.1167.700000111.7
94G26.7Very low32Very low91 Ų91107 Ų10794%0.93877%0.769SS**  trans-61.1137.2173.800000111.4
95G26.7Very low32.3Very low70 Ų70104.6 Ų104.672%0.72276%0.763SS**  trans158.5115.3174.100000109.6G97G95-G97 PolarHBondContact O-N 3.27Å
96N34Very low32Very low184 Ų184104 Ų10498%0.98477%0.77SS**SBendtrans-42120.5-176.4-72.2-14.9000113.2
97G30.2Very low31.8Very low70 Ų70104.9 Ų104.972%0.72278%0.779SS**  trans169.957.4175.400000111.2G95 G99G95-G97 PolarHBondContact O-N 3.27Å; G97-G99 PolarHBondContact O-N 3.08Å
98G30.4Very low31.5Very low72 Ų72101.6 Ų101.674%0.74278%0.778SS**  trans-47.5127.9171.300000110.1C100G98-C100 PolarHBondContact O-N 3.47Å; G98-C100 VanDerWaalsContact O-N 3.14Å
99G31.4Very low31.6Very low79 Ų79100.9 Ų100.981%0.81478%0.779SS**  trans-57.4115.9-175.200000111.7G97 S101G97-G99 PolarHBondContact O-N 3.08Å; G99-S101 PolarHBondContact O-N 3.14Å
100C32.7Very low32.1Very low97 Ų97104 Ų10466%0.65578%0.777SS**  trans-87.991.4162.3-67.40000107.9G98 G102 C105G98-C100 PolarHBondContact O-N 3.47Å; G98-C100 VanDerWaalsContact O-N 3.14Å; C100-G102 PolarHBondContact O-N 3.25Å; C100-C105 WeakPolarHBondContact CB-SG 2.97Å
101S38.1Very low32.6Very low120 Ų120108.9 Ų108.984%0.83978%0.778SS**  trans-73.5110.8166.560.70000109.3G99G99-S101 PolarHBondContact O-N 3.14Å
102G36.2Very low33.2Very low75 Ų75110.1 Ų110.177%0.77378%0.783SS**SBendtrans96.8105.3168.700000114.5C100C100-G102 PolarHBondContact O-N 3.25Å
103G33.9Very low33.3Very low62 Ų62107.6 Ų107.664%0.63978%0.777SS**SBendtrans94.7107.8163.900000113.9C105G103-C105 PolarHBondContact O-N 3.22Å
104N34.7Very low33.8Very low171 Ų171109.7 Ų109.791%0.91478%0.777SS**  trans35.774.5151.1-60.217.5000116.7G106N104-G106 PolarHBondContact O-N 2.88Å
105C40.6Very low34.3Very low103 Ų103109.3 Ų109.370%0.69677%0.765SS**  trans-75.279.5155.1-64.40000108.6C100 G103C100-C105 WeakPolarHBondContact CB-SG 2.97Å; G103-C105 PolarHBondContact O-N 3.22Å
106G31.8Very low34.8Very low69 Ų69111.8 Ų111.871%0.71177%0.768SS**  trans-80.4133.9156.300000108.7N104N104-G106 PolarHBondContact O-N 2.88Å
107G29.6Very low34.8Very low75 Ų75113.1 Ų113.177%0.77376%0.761SS**  trans83.8107.1162.600000114.7
108G32.4Very low34.8Very low70 Ų70113 Ų11372%0.72276%0.76SS**  trans-176.455170.900000109.1D110G108-D110 PolarHBondContact O-N 3.06Å
109F34Very low34.9Very low180 Ų180112.5 Ų112.579%0.78975%0.754SS**  trans-60.5120.5159.7-55.9-87.5000105.4E111F109-E111 VanDerWaalsContact C-N 3.29Å; F109-E111 PolarHBondContact O-N 3.21Å
110D38.9Very low35.3Very low146 Ų146115.9 Ų115.978%0.78175%0.754SS**  trans-62.4102.1162.6-70.9-51.7000106.1G108 A112 F113G108-D110 PolarHBondContact O-N 3.06Å; D110-A112 PolarHBondContact O-N 2.81Å; D110-F113 PolarHBondContact O-N 3.27Å
111E39.5Very low35.5Very low187 Ų187121 Ų12187%0.87476%0.761SS**THydrogen-bonded Turntrans-57.55.2-176.2-126.299.8-155.500114.5F109F109-E111 VanDerWaalsContact C-N 3.29Å; F109-E111 PolarHBondContact O-N 3.21Å
112A39.9Very low35.5Very low78 Ų78118.9 Ų118.965%0.64576%0.758SS**THydrogen-bonded Turntrans-92.3-14.2-18000000114.5D110D110-A112 PolarHBondContact O-N 2.81Å
113F31.8Very low35.4Very low186 Ų186122.7 Ų122.782%0.81676%0.761SS**  trans-140.2108.5177-78.8-84.8000112.1D110 A115D110-F113 PolarHBondContact O-N 3.27Å; F113-A115 PolarHBondContact O-N 3.29Å; F113-A115 VanDerWaalsContact O-N 3.16Å
114P36.3Very low35.7Very low119 Ų119123 Ų12377%0.77377%0.765SS**  trans-58.7118.8163.4-17.129.4000108.7P116P114-P116 VanDerWaalsContact O-CD 3.29Å; P114-P116 WeakPolarHBondContact O-CD 3.11Å; P114-P116 VanDerWaalsContact O-N 3.17Å
115A38.1Very low35.9Very low82 Ų82118.2 Ų118.268%0.67876%0.755SS**  trans-59.2119173.800000108.8F113 Y117F113-A115 PolarHBondContact O-N 3.29Å; F113-A115 VanDerWaalsContact O-N 3.16Å; A115-Y117 PolarHBondContact O-N 3.08Å
116P37.1Very low35.7Very low122 Ų122119.5 Ų119.579%0.79276%0.755SS**SBendtrans-72.7-0.7-169.925-31.9000114.8P114P114-P116 VanDerWaalsContact O-CD 3.29Å; P114-P116 WeakPolarHBondContact O-CD 3.11Å; P114-P116 VanDerWaalsContact O-N 3.17Å
117Y32.6Very low36.1Very low213 Ų213119.9 Ų119.984%0.83576%0.759SS**SBendtrans-141.6121.9176.1-85.5-88000110A115 G119A115-Y117 PolarHBondContact O-N 3.08Å; Y117-G119 PolarHBondContact O-N 3.41Å
118G31.7Very low36.5Very low67 Ų67125.1 Ų125.169%0.69176%0.761SS**  trans-35.795.4-174.600000115.3D120G118-D120 PolarHBondContact O-N 3.47Å
119G32Very low37Very low61 Ų61125.4 Ų125.463%0.62976%0.763SS**  trans-74.663.1169.600000111.2Y117 Y121Y117-G119 PolarHBondContact O-N 3.41Å; G119-Y121 PolarHBondContact O-N 3.42Å
120D39.7Very low37.2Very low150 Ų150126.6 Ų126.680%0.80277%0.768SS**  trans-74.369.1162.9-74.1-33.6000108.9G118G118-D120 PolarHBondContact O-N 3.47Å
121Y35.7Very low37Very low204 Ų204123.2 Ų123.280%0.877%0.768SS**  trans-136.142.2171.1-57.5-71.6000111.4G119 N123G119-Y121 PolarHBondContact O-N 3.42Å; Y121-N123 PolarHBondContact O-N 3.47Å; Y121-N123 VanDerWaalsContact O-N 3.11Å
122G38.3Very low36.9Very low77 Ų77117.7 Ų117.779%0.79476%0.762SS**  trans-78.455.216000000111.5G124G122-G124 PolarHBondContact O-N 3.26Å
123N35.8Very low36.9Very low154 Ų154119.7 Ų119.782%0.82477%0.771SS**  trans-77.980.4164.1-85.3-14.5000107.5Y121 G125Y121-N123 PolarHBondContact O-N 3.47Å; Y121-N123 VanDerWaalsContact O-N 3.11Å; N123-G125 PolarHBondContact O-N 2.8Å
124G39.9Very low36.9Very low70 Ų70120.1 Ų120.172%0.72277%0.772SS**  trans-52.1109.9167.500000108.7G122G122-G124 PolarHBondContact O-N 3.26Å
125G37.6Very low37.1Very low69 Ų69117.5 Ų117.571%0.71177%0.767SS**  trans-57.2143.2-178.400000111.1N123 G127N123-G125 PolarHBondContact O-N 2.8Å; G125-G127 PolarHBondContact O-N 3.12Å
126N36.6Very low36.8Very low130 Ų130119.7 Ų119.770%0.69577%0.767SS**  trans-54.9107.9172.7-65.84.7000108.9F128N126-F128 WeakPolarHBondContact O-CD2 2.8Å; N126-F128 PolarHBondContact O-N 1.99Å
127G41.2Very low36.7Very low77 Ų77121.1 Ų121.179%0.79477%0.768SS**  trans-61.3104179.600000111.2G125 G129G125-G127 PolarHBondContact O-N 3.12Å; G127-G129 PolarHBondContact O-N 3.12Å
128F37.4Very low36.8Very low186 Ų186122.9 Ų122.982%0.81678%0.775SS**  trans-87.686.1155.2-67.8-81.8000107N126 K130N126-F128 WeakPolarHBondContact O-CD2 2.8Å; N126-F128 PolarHBondContact O-N 1.99Å; F128-K130 PolarHBondContact O-N 3.1Å; F128-K130 VanDerWaalsContact O-N 3.17Å
129G43.2Very low37.1Very low75 Ų75123 Ų12377%0.77378%0.776SS**PPolyproline II helixtrans-58.1118.8166.300000108.4G127 G131G127-G129 PolarHBondContact O-N 3.12Å; G129-G131 PolarHBondContact O-N 3.1Å; G129-G131 VanDerWaalsContact O-N 3.09Å
130K37.4Very low37.3Very low205 Ų205129.8 Ų129.889%0.89179%0.788SS**PPolyproline II helixtrans-57.8116.6173.6-74.2-174.9176.8178.90107.8F128 G132F128-K130 PolarHBondContact O-N 3.1Å; F128-K130 VanDerWaalsContact O-N 3.17Å; K130-G132 PolarHBondContact O-N 2.9Å; K130-G132 VanDerWaalsContact O-N 3.1Å
131G35.7Very low37.2Very low76 Ų76126 Ų12678%0.78479%0.785SS**PPolyproline II helixtrans-54.5117.9163.900000108G129G129-G131 PolarHBondContact O-N 3.1Å; G129-G131 VanDerWaalsContact O-N 3.09Å
132G36.6Very low37.3Very low71 Ų71126.7 Ų126.773%0.73279%0.787SS**PPolyproline II helixtrans-55.4142.2-176.900000112K130 K134K130-G132 PolarHBondContact O-N 2.9Å; K130-G132 VanDerWaalsContact O-N 3.1Å; G132-K134 PolarHBondContact O-N 3.39Å
133S39.8Very low37.2Very low120 Ų120126.9 Ų126.984%0.83979%0.79SS**PPolyproline II helixtrans-50.8128.3173.5-54.60000110G135S133-G135 VanDerWaalsContact C-N 3.26Å; S133-G135 PolarHBondContact O-N 3.38Å
134K33.2Very low37Very low194 Ų194123.8 Ų123.884%0.84379%0.794SS**  trans-63.994.7160.7-77.4-178.8178.8174.90107.1G132G132-K134 PolarHBondContact O-N 3.39Å
135G38.5Very low36.7Very low64 Ų64124 Ų12466%0.6680%0.796SS**  trans-79.8125.7165.300000109.2S133S133-G135 VanDerWaalsContact C-N 3.26Å; S133-G135 PolarHBondContact O-N 3.38Å
136N32.9Very low36.9Very low129 Ų129126.9 Ų126.969%0.6981%0.805SS**  trans165.9143161.934.922.2000109
137N34.9Very low37.3Very low152 Ų152124.2 Ų124.281%0.81381%0.808SS**  cis-159143.5-3.9-105-13.6000105G139N137-G139 PolarHBondContact O-N 3.46Å; N137-G139 VanDerWaalsContact O-N 3.12Å
138Y34Very low37.3Very low250 Ų250130.3 Ų130.398%0.9881%0.813SS**  trans-51.3118.6162.2-70.4-92.4000109.2
139G39Very low37.7Very low68 Ų68124.7 Ų124.770%0.70181%0.807SS**  trans178.299.5176.800000112.1N137 G141N137-G139 PolarHBondContact O-N 3.46Å; N137-G139 VanDerWaalsContact O-N 3.12Å; G139-G141 PolarHBondContact O-N 2.88Å; G139-G141 VanDerWaalsContact O-N 3.1Å
140K36.2Very low37.5Very low205 Ų205130.9 Ų130.989%0.89181%0.813SS**  trans-58.5111.4165.5-73.8-179176.3178.40108.1
141G38.4Very low37.6Very low70 Ų70124.9 Ų124.972%0.72281%0.809SS**  trans-149.3102.9177.100000109.8G139 G143G139-G141 PolarHBondContact O-N 2.88Å; G139-G141 VanDerWaalsContact O-N 3.1Å; G141-G143 PolarHBondContact O-N 3.04Å
142Y36.1Very low37.8Very low218 Ų218125.3 Ų125.386%0.85581%0.814SS**  trans-62.7124.5178.4-54.9-91.5000110.1
143G36.8Very low37.8Very low82 Ų82125.4 Ų125.485%0.84582%0.815SS**SBendtrans51.996.6152.700000117.5G141G141-G143 PolarHBondContact O-N 3.04Å
144G31.9Very low37.8Very low88 Ų88130 Ų13091%0.90782%0.82SS**  trans149.798.5159.300000113.5
145G34.5Very low38.6Very low74 Ų74124.1 Ų124.176%0.76382%0.815SS**  trans-165.886.5173.600000111.7G147G145-G147 PolarHBondContact O-N 3.07Å
146S41Very low38.7Very low130 Ų130124.4 Ų124.491%0.90982%0.818SS**  trans-63.876.5170.1-47.40000110.7K148S146-K148 PolarHBondContact O-N 3.16Å
147G44.7Very low39.1Very low74 Ų74128.5 Ų128.576%0.76383%0.829SS**  trans-83.985.8175.400000111.3G145 G149G145-G147 PolarHBondContact O-N 3.07Å; G147-G149 PolarHBondContact O-N 3.08Å
148K41Very low39.8Very low205 Ų205124.3 Ų124.389%0.89182%0.823SS**  trans-6377.4159.6-81.1179.8176.2172.30109.1S146 K150S146-K148 PolarHBondContact O-N 3.16Å; K148-K150 VanDerWaalsContact C-N 3.31Å; K148-K150 PolarHBondContact O-N 2.76Å
149G45.1Very low40.2Very low68 Ų68115.8 Ų115.870%0.70181%0.811SS**  trans-7681.5170.300000110.3G147G147-G149 PolarHBondContact O-N 3.08Å
150K40.2Very low40.2Very low205 Ų205122.8 Ų122.889%0.89182%0.822SS**  trans-73.2127.3158.5-73.9-173.2175.9-1780108.1K148K148-K150 VanDerWaalsContact C-N 3.31Å; K148-K150 PolarHBondContact O-N 2.76Å
151G39.5Very low40.9Very low79 Ų79116.5 Ų116.581%0.81482%0.815SS**  trans141.8114.3169.700000108.9
152G39.2Very low40.9Very low86 Ų86116.8 Ų116.889%0.88782%0.818SS**  cis138.9144.924.600000104.6
153G36.8Very low41Very low73 Ų73112.5 Ų112.575%0.75382%0.815SS**  cis-144.6-176.6-12.300000107.1G155G153-G155 PolarHBondContact O-N 2.93Å
154K40.9Very low41.3Very low215 Ų215117.6 Ų117.694%0.93581%0.81SS**  trans-66.7103.9177.9-64.8178.3178178.50109.5G156K154-G156 PolarHBondContact O-N 3.47Å
155G49Very low41.7Very low72 Ų72121.8 Ų121.874%0.74280%0.803SS**  trans-60.7117.3168.100000109.5G153G153-G155 PolarHBondContact O-N 2.93Å
156G41.3Very low42.4Very low70 Ų70122.6 Ų122.672%0.72280%0.795SS**  trans-67.1163.7-167.400000115K154 G158K154-G156 PolarHBondContact O-N 3.47Å; G156-G158 PolarHBondContact O-N 2.96Å; G156-G158 VanDerWaalsContact O-N 3.13Å
157K40.2Very low42.5Very low214 Ų214120.8 Ų120.893%0.9378%0.782SS**  trans-62.4111.6175.5-65.3-177.1176.6-179.60109.2G159K157-G159 PolarHBondContact O-N 2.04Å
158G51.1Low42.3Very low65 Ų65126.5 Ų126.567%0.6779%0.789SS**  trans-53.6124.7170.600000110.2G156G156-G158 PolarHBondContact O-N 2.96Å; G156-G158 VanDerWaalsContact O-N 3.13Å
159G40.8Very low42.3Very low71 Ų71127.3 Ų127.373%0.73279%0.788SS**  trans-61.2147.9-175.900000112.5K157 G161K157-G159 PolarHBondContact O-N 2.04Å; G159-G161 PolarHBondContact O-N 3.45Å; G159-G161 VanDerWaalsContact O-N 3.13Å
160K40.6Very low41.7Very low214 Ų214127.2 Ų127.293%0.9379%0.786SS**  trans-63.4112.7174.1-66.2-176.4176.8-1770108.5G162K160-G162 PolarHBondContact O-N 3.14Å
161G49.6Very low41.4Very low73 Ų73121.6 Ų121.675%0.75379%0.787SS**  trans-55.1120.4169.500000109.1G159 T163G159-G161 PolarHBondContact O-N 3.45Å; G159-G161 VanDerWaalsContact O-N 3.13Å; G161-T163 PolarHBondContact O-N 2.84Å
162G38.6Very low41.3Very low76 Ų76120.8 Ų120.878%0.78478%0.779SS**  trans-64.6127.6178.400000110K160 Y164K160-G162 PolarHBondContact O-N 3.14Å; G162-Y164 PolarHBondContact O-N 3.44Å; G162-Y164 VanDerWaalsContact O-N 3.14Å
163T38.8Very low41.7Very low129 Ų129131.2 Ų131.279%0.79179%0.793SS**  trans-65110.7171.1-51.10000108.7G161 K165G161-T163 PolarHBondContact O-N 2.84Å; T163-K165 PolarHBondContact O-N 2.02Å
164Y42.9Very low42Very low188 Ų188134.1 Ų134.174%0.73780%0.795SS**  trans-64.8116.9166.8179.3-105.3000108.5G162 P166G162-Y164 PolarHBondContact O-N 3.44Å; G162-Y164 VanDerWaalsContact O-N 3.14Å; Y164-P166 HydrophobicContact CE1-CB 3.97Å; Y164-P166 WeakPolarHBondContact O-CD 2.94Å
165K40.1Very low42.1Very low176 Ų176129.8 Ų129.877%0.76579%0.788SS**  trans-91.7113.9166.3-71.8-166.3-178.4-175.60107.3T163 S167T163-K165 PolarHBondContact O-N 2.02Å; K165-S167 PolarHBondContact O-N 3.47Å; K165-S167 VanDerWaalsContact O-N 3.16Å
166P49.5Very low41.7Very low91 Ų91133.1 Ų133.159%0.59179%0.791SS**  trans-61121.217223.3-30.3000108.7Y164 H168Y164-P166 HydrophobicContact CE1-CB 3.97Å; Y164-P166 WeakPolarHBondContact O-CD 2.94Å; P166-H168 PolarHBondContact O-N 3.49Å; P166-H168 VanDerWaalsContact O-N 3.15Å
167S43.1Very low41.7Very low92 Ų92136.8 Ų136.864%0.64380%0.795SS**  trans-60.8116.6170-650000108.2K165 Y169K165-S167 PolarHBondContact O-N 3.47Å; K165-S167 VanDerWaalsContact O-N 3.16Å; S167-Y169 VanDerWaalsContact C-N 3.26Å; S167-Y169 PolarHBondContact O-N 2.83Å
168H40.2Very low41.8Very low194 Ų194131.9 Ų131.990%0.89879%0.786SS**  trans-58.692.5162.1-77.8-85.2000108.3P166 G170P166-H168 PolarHBondContact O-N 3.49Å; P166-H168 VanDerWaalsContact O-N 3.15Å; H168-G170 VanDerWaalsContact C-N 3.33Å; H168-G170 PolarHBondContact O-N 2.83Å
169Y40.5Very low41.2Very low223 Ų223136.4 Ų136.488%0.87579%0.794SS**  trans-80.593.1158.9-96.2-86.8000107.1S167S167-Y169 VanDerWaalsContact C-N 3.26Å; S167-Y169 PolarHBondContact O-N 2.83Å
170G33.1Very low41.2Very low65 Ų65141.1 Ų141.167%0.6780%0.798SS**  trans-72.7159.7159.900000111.2H168H168-G170 VanDerWaalsContact C-N 3.33Å; H168-G170 PolarHBondContact O-N 2.83Å
171G33.4Very low41.2Very low88 Ų88135.5 Ų135.591%0.90779%0.788SS**  trans93.1103.4142.900000116.9
172G37.4Very low40.5Very low62 Ų62140.7 Ų140.764%0.63979%0.791SS**  trans-155.488.3156.100000108.2
173Y49Very low40.7Very low304 Ų304146.5 Ų146.5100%1.19279%0.792SS**  trans6.4016749.4-88.7000119.2

Retrieved 173 of 173 residues in 60.1 ms (Link to these results)