A0A077ZK99_TRITR Loading...

NUP50 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK99, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 389 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
1M52.4Low86.4Confident214 Ų214141.4 Ų141.4100%1.05476%0.764SS**  0112.40-170.5178.6162.600107.2K3M1-K3 PolarHBondContact O-N 3.08Å
2V75.9Confident87.1Confident135 Ų135147.3 Ų147.382%0.81877%0.767SS**  trans-78.780.4-176.5-1730000107.7R4V2-R4 PolarHBondContact O-N 2.89Å
3K91.9Very high87.7Confident173 Ų173146.8 Ų146.875%0.75276%0.759SS**PPolyproline II helixtrans-63.1117.9164.3-68.3-176.1178.3-178.10105.9M1M1-K3 PolarHBondContact O-N 3.08Å
4R90.4Very high87.9Confident233 Ų233138.9 Ų138.988%0.87972%0.723SS**PPolyproline II helixtrans-83.5129.2170.9-68.7-175.8174.1174.4-3107.6V2V2-R4 PolarHBondContact O-N 2.89Å
5S92.7Very high88.3Confident109 Ų109140.5 Ų140.576%0.76272%0.716SS**PPolyproline II helixtrans-77151.7167.1-58.50000108.6
6A92.1Very high88.6Confident85 Ų85139.5 Ų139.570%0.70271%0.713SS**PPolyproline II helixtrans-65141.9169.800000109.6G8A6-G8 VanDerWaalsContact C-N 3.29Å
7D88.8Confident88.5Confident180 Ų180139.6 Ų139.696%0.96371%0.71SS**SBendtrans-75.6-21.1-179.3-63.9-42.1000112.1
8G87.8Confident88.3Confident58 Ų58140.6 Ų140.660%0.59872%0.717SS**SBendtrans-118.8146.7175.300000113A6A6-G8 VanDerWaalsContact C-N 3.29Å
9Q91.2Very high87.8Confident172 Ų172142.5 Ų142.580%0.80472%0.723SS**  trans-85.9116.9167.5-174.4174.92.200108.8T11Q9-T11 HydrophobicContact CG-CG2 4.44Å; Q9-T11 PolarHBondContact O-N 3.19Å
10L92.5Very high86.9Confident144 Ų144141.1 Ų141.175%0.75472%0.723SS**  trans-73.5112.7174.3-157.577.8000108.8W15L10-W15 HydrophobicContact CD1-CB 4.1Å; L10-W15 HydrophobicContact CD2-CB 4.18Å; L10-W15 HydrophobicContact CG-CB 3.96Å
11T94.7Very high86Confident52 Ų52138.2 Ų138.232%0.31972%0.716SS.*  trans-102.3166174.771.10000110.5Q9 E13 S14 W15Q9-T11 HydrophobicContact CG-CG2 4.44Å; Q9-T11 PolarHBondContact O-N 3.19Å; T11-E13 WeakPolarHBondContact CB-OE2 3.47Å; T11-E13 PolarHBondContact O-N 2.83Å; T11-E13 PolarHBondContact OG1-OE2 3.33Å; T11-S14 PolarHBondContact N-OG 3.36Å; T11-S14 PolarHBondContact O-N 3.49Å; T11-S14 WeakPolarHBondContact OG1-CB 3.44Å; T11-S14 PolarHBondContact OG1-N 2.97Å; T11-S14 PolarHBondContact OG1-OG 2.72Å; T11-W15 PolarHBondContact O-N 2.72Å; T11-W15 VanDerWaalsContact O-N 3.16Å
12R95.6Very high86.8Confident213 Ų213136.3 Ų136.380%0.80471%0.705SS**THydrogen-bonded Turntrans-65.8-22.3177.2-175.7176.1-177.2-179.91.1111.9W15R12-W15 PolarHBondContact O-NE1 3.04Å; R12-W15 VanDerWaalsContact O-NE1 3.13Å
13E94.4Very high86Confident141 Ų141137.9 Ų137.966%0.65970%0.7SS**THydrogen-bonded Turntrans-87.5-29177.9-56.773.3-156.300111.8T11T11-E13 WeakPolarHBondContact CB-OE2 3.47Å; T11-E13 PolarHBondContact O-N 2.83Å; T11-E13 PolarHBondContact OG1-OE2 3.33Å
14S90.2Very high84.7Confident36 Ų36133.6 Ų133.625%0.25269%0.69SS.*THydrogen-bonded Turntrans-103.3-5.3-173.670.50000116.2T11 D16 E17T11-S14 PolarHBondContact N-OG 3.36Å; T11-S14 PolarHBondContact O-N 3.49Å; T11-S14 WeakPolarHBondContact OG1-CB 3.44Å; T11-S14 PolarHBondContact OG1-N 2.97Å; T11-S14 PolarHBondContact OG1-OG 2.72Å; S14-D16 PolarHBondContact O-N 3.49Å; S14-E17 PolarHBondContact O-N 3.36Å
15W93.9Very high83.5Confident163 Ų163132 Ų13262%0.61769%0.693SS**THydrogen-bonded Turntrans-70.4-17.8-176.673.9-79.2000114.5L10 T11 R12L10-W15 HydrophobicContact CD1-CB 4.1Å; L10-W15 HydrophobicContact CD2-CB 4.18Å; L10-W15 HydrophobicContact CG-CB 3.96Å; T11-W15 PolarHBondContact O-N 2.72Å; T11-W15 VanDerWaalsContact O-N 3.16Å; R12-W15 PolarHBondContact O-NE1 3.04Å; R12-W15 VanDerWaalsContact O-NE1 3.13Å
16D92.9Very high81.8Confident124 Ų124130.9 Ų130.966%0.66369%0.69SS**THydrogen-bonded Turntrans-115.42.8179.6-157.427.6000111.8S14 D18S14-D16 PolarHBondContact O-N 3.49Å; D16-D18 PolarHBondContact O-N 3.1Å
17E87.6Confident80.2Confident142 Ų142131.8 Ų131.866%0.66469%0.691SS**SBendtrans-78.4110.8168.6-68.8-174.3164.900107.1S14 E19S14-E17 PolarHBondContact O-N 3.36Å; E17-E19 PolarHBondContact O-N 3.21Å
18D84.5Confident78.7Confident156 Ų156129.1 Ų129.183%0.83468%0.684SS**  trans-51.8113.9168.7-79.2-37.5000107.8D16 P20D16-D18 PolarHBondContact O-N 3.1Å; D18-P20 VanDerWaalsContact O-N 3.08Å
19E78.8Confident77.5Confident178 Ų178134.4 Ų134.483%0.83270%0.695SS**  trans-45.6122.4178.3-172.1175.3-163.900106.9E17 S21E17-E19 PolarHBondContact O-N 3.21Å; E19-S21 VanDerWaalsContact C-N 3.34Å; E19-S21 PolarHBondContact O-N 3.32Å
20P70.4Confident75.9Confident113 Ų113134.4 Ų134.473%0.73470%0.699SS**  trans-57.6107-17323.1-32.5000105.6D18 E22D18-P20 VanDerWaalsContact O-N 3.08Å; P20-E22 PolarHBondContact O-N 3.39Å
21S68.3Low74.3Confident82 Ų82133.9 Ų133.957%0.57370%0.697SS**  trans-48.1124.517668.30000104.2E19 K23E19-S21 VanDerWaalsContact C-N 3.34Å; E19-S21 PolarHBondContact O-N 3.32Å; S21-K23 PolarHBondContact O-N 3.48Å
22E67.6Low72.5Confident174 Ų174140 Ų14081%0.81372%0.724SS**  trans-58.574.3172.5-82.6-174.914700107.3P20 P24P20-E22 PolarHBondContact O-N 3.39Å; E22-P24 VanDerWaalsContact O-CD 3.26Å; E22-P24 WeakPolarHBondContact O-CD 3.44Å
23K60.1Low70.6Confident168 Ų168135.3 Ų135.373%0.7372%0.724SS**  trans-73.6112.2168.1-102.1176.1178.8171.30101S21 E25S21-K23 PolarHBondContact O-N 3.48Å; K23-E25 PolarHBondContact O-N 2.96Å; K23-E25 VanDerWaalsContact O-N 3.07Å
24P65.1Low68.4Low83 Ų83136.7 Ų136.754%0.53972%0.724SS.*  trans-53.6127.4170.724.8-32.1000105.4E22 A26E22-P24 VanDerWaalsContact O-CD 3.26Å; E22-P24 WeakPolarHBondContact O-CD 3.44Å; P24-A26 PolarHBondContact O-N 3Å
25E63.8Low66.7Low199 Ų199141 Ų14193%0.9375%0.753SS**  trans-56.690.8171.5-71.9-166.2161.300107.3K23 S27K23-E25 PolarHBondContact O-N 2.96Å; K23-E25 VanDerWaalsContact O-N 3.07Å; E25-S27 PolarHBondContact O-N 3.3Å
26A58.4Low64.7Low86 Ų86137.5 Ų137.571%0.71175%0.753SS**  trans-72.2108-17500000106.2P24P24-A26 PolarHBondContact O-N 3Å
27S58.6Low62.7Low104 Ų104138 Ų13873%0.72776%0.755SS**  trans-40.7126.5166.5-160.80000110.2E25 M29E25-S27 PolarHBondContact O-N 3.3Å; S27-M29 PolarHBondContact O-N 3.4Å
28P57.4Low61.1Low124 Ų124137.5 Ų137.581%0.80576%0.755SS**SBendtrans-77.833.1-161.229.6-35.9000115.9
29M61.5Low59.5Low168 Ų168135.2 Ų135.283%0.82875%0.747SS**SBendtrans-110.96.9-167.8-115.2-159.882.400118.4S27S27-M29 PolarHBondContact O-N 3.4Å
30L58.2Low58.2Low172 Ų172133.5 Ų133.590%0.90174%0.743SS**  trans-140.170.4179.4-88.5167.4000112.9
31L57.5Low57.5Low134 Ų134135.1 Ų135.170%0.70275%0.745SS**  trans-95.929.9-176.7-141.8106.3000114.6Y34L31-Y34 HydrophobicContact CD2-CE2 4.38Å; L31-Y34 HydrophobicContact CG-CE2 4.48Å
32M56.8Low57.1Low180 Ų180137.2 Ų137.289%0.88775%0.746SS**  trans-127.727-170-92.8-120.474.100116.3
33S56.2Low57.1Low114 Ų114135.6 Ų135.680%0.79775%0.747SS**  trans-135.869.7169.7-165.80000111.7C35S33-C35 PolarHBondContact O-N 3.16Å; S33-C35 VanDerWaalsContact O-N 3.15Å
34Y49.7Very low57.6Low171 Ų171130.3 Ų130.367%0.67174%0.741SS**  trans-77.886.7173.6-89.4-95.9000110L31 I37L31-Y34 HydrophobicContact CD2-CE2 4.38Å; L31-Y34 HydrophobicContact CG-CE2 4.48Å; Y34-I37 HydrophobicContact CD1-CD1 4.12Å
35C52.5Low58.5Low127 Ų127134.3 Ų134.386%0.85875%0.752SS**  trans-170.645.4160.3-103.60000114.4S33S33-C35 PolarHBondContact O-N 3.16Å; S33-C35 VanDerWaalsContact O-N 3.15Å
36S51.8Low59.5Low88 Ų88132.5 Ų132.562%0.61574%0.741SS**  trans-14335.1176.9-153.70000114.7I38S36-I38 PolarHBondContact O-N 3.17Å; S36-I38 VanDerWaalsContact O-N 3.16Å
37I51.3Low61Low136 Ų136136.2 Ų136.270%0.69775%0.75SS**THydrogen-bonded Turntrans-83.818.2-158.8-53.9174.5000115Y34Y34-I37 HydrophobicContact CD1-CD1 4.12Å
38I55.1Low62.7Low131 Ų131139.2 Ų139.267%0.67275%0.745SS**THydrogen-bonded Turntrans-142.743.8-178.2-35.5179.1000116.2S36S36-I38 PolarHBondContact O-N 3.17Å; S36-I38 VanDerWaalsContact O-N 3.16Å
39T50.6Low64.4Low107 Ų107134.7 Ų134.766%0.65672%0.718SS**  trans-140.54.5175.350.60000119.3L41T39-L41 PolarHBondContact O-N 2.98Å
40D52Low66.1Low143 Ų143130.9 Ų130.977%0.76571%0.706SS**  trans-110.659.4-166.1-58.3-5.9000113Q42D40-Q42 VanDerWaalsContact C-N 3.25Å; D40-Q42 PolarHBondContact O-N 3.16Å; D40-Q42 VanDerWaalsContact O-N 3.1Å
41L55.8Low68Low146 Ų146128 Ų12876%0.76469%0.688SS**  trans-64.2102.5141.3-93.8154000104.3T39 V43T39-L41 PolarHBondContact O-N 2.98Å; L41-V43 PolarHBondContact O-N 2.74Å
42Q58.6Low69.9Low127 Ų127127.3 Ų127.359%0.59369%0.685SS**  trans-66.574.9-174.9-158.8175.844.200109.5D40 G44D40-Q42 VanDerWaalsContact C-N 3.25Å; D40-Q42 PolarHBondContact O-N 3.16Å; D40-Q42 VanDerWaalsContact O-N 3.1Å; Q42-G44 PolarHBondContact O-N 2.59Å
43V69.1Low71.8Confident139 Ų139121.1 Ų121.184%0.84266%0.657SS**  trans-66.490.7166.1-178.60000104.8L41 E45L41-V43 PolarHBondContact O-N 2.74Å; V43-E45 PolarHBondContact O-N 3.49Å
44G69.1Low73.7Confident58 Ų58117.7 Ų117.760%0.59863%0.629SS**PPolyproline II helixtrans-52.8135.7-174.400000111Q42 F46Q42-G44 PolarHBondContact O-N 2.59Å; G44-F46 PolarHBondContact O-N 2.91Å
45E84.1Confident76Confident166 Ų166113.5 Ų113.578%0.77663%0.63SS**PPolyproline II helixtrans-65135.1166.8-165173.5-179.200107.9V43 N47V43-E45 PolarHBondContact O-N 3.49Å; E45-N47 PolarHBondContact O-N 2.78Å
46F85.1Confident78.1Confident161 Ų161117.9 Ų117.971%0.70663%0.629SS**PPolyproline II helixtrans-62.6141.5175.662-88.8000109.1G44 R48G44-F46 PolarHBondContact O-N 2.91Å; F46-R48 PolarHBondContact O-N 3.09Å
47N89.5Confident80.3Confident165 Ų165121.4 Ų121.488%0.88263%0.628SS**  trans-58.6104.8176.1-72.4-45000110.2E45E45-N47 PolarHBondContact O-N 2.78Å
48R94.6Very high82.4Confident167 Ų167123.9 Ų123.963%0.6363%0.634SS**PPolyproline II helixtrans-66.4133179.2-177.1177168.6177-5.4109.5F46 E51 L54F46-R48 PolarHBondContact O-N 3.09Å; R48-E51 IonicContact CZ-OE2 2.94Å; R48-E51 IonicContact NH2-OE2 2.78Å; R48-E51 PolarHBondContact NH2-OE2 3.48Å; R48-L54 HydrophobicContact CG-CD1 4.19Å
49A94.3Very high84.4Confident29 Ų29123.4 Ų123.424%0.2463%0.632CS.*PPolyproline II helixtrans-63.2147.6173.800000110.7V53 L54A49-V53 HydrophobicContact CB-CB 4.33Å; A49-V53 HydrophobicContact CB-CG1 4.1Å; A49-L54 HydrophobicContact CB-CD2 4.09Å; A49-L54 HydrophobicContact CB-CG 4.23Å; A49-L54 WeakPolarHBondContact O-CD1 3.15Å
50P97Very high86.5Confident87 Ų87125.1 Ų125.157%0.56564%0.636SS**PPolyproline II helixtrans-60.8152176.926-34000111D52 V53 L54P50-D52 VanDerWaalsContact C-N 3.26Å; P50-D52 PolarHBondContact O-N 3.27Å; P50-V53 HydrophobicContact CG-CB 4.15Å; P50-V53 HydrophobicContact CG-CG2 3.74Å; P50-V53 WeakPolarHBondContact O-CA 3.41Å; P50-V53 WeakPolarHBondContact O-CB 3.22Å; P50-V53 PolarHBondContact O-N 2.93Å; P50-L54 PolarHBondContact O-N 3.31Å; P50-L54 VanDerWaalsContact O-N 3.14Å
51E96.6Very high88.5Confident113 Ų113124.9 Ų124.953%0.52864%0.639SS.*Hα-helixtrans-59.3-35.8-170.5-165.761.1-154.600112.8R48 V53 L54 A55R48-E51 IonicContact CZ-OE2 2.94Å; R48-E51 IonicContact NH2-OE2 2.78Å; R48-E51 PolarHBondContact NH2-OE2 3.48Å; E51-V53 PolarHBondContact O-N 2.94Å; E51-L54 PolarHBondContact O-N 3.47Å; E51-L54 VanDerWaalsContact O-N 3.12Å; E51-A55 WeakPolarHBondContact O-CB 3.44Å; E51-A55 PolarHBondContact O-N 2.79Å
52D97.1Very high90.1Very high119 Ų119121.8 Ų121.864%0.63664%0.635SS**Hα-helixtrans-59.4-34175.1-62.3-26.3000112.9P50 R56P50-D52 VanDerWaalsContact C-N 3.26Å; P50-D52 PolarHBondContact O-N 3.27Å; D52-R56 WeakPolarHBondContact O-CD 3.36Å; D52-R56 VanDerWaalsContact O-CG 3.27Å; D52-R56 WeakPolarHBondContact O-CG 3.37Å; D52-R56 PolarHBondContact O-N 3.25Å
53V97.4Very high91.7Very high50 Ų50126.6 Ų126.630%0.30365%0.648SS.*Hα-helixtrans-77.8-37.6177.4173.50000110.5A49 P50 E51 R56 R57A49-V53 HydrophobicContact CB-CB 4.33Å; A49-V53 HydrophobicContact CB-CG1 4.1Å; P50-V53 HydrophobicContact CG-CB 4.15Å; P50-V53 HydrophobicContact CG-CG2 3.74Å; P50-V53 WeakPolarHBondContact O-CA 3.41Å; P50-V53 WeakPolarHBondContact O-CB 3.22Å; P50-V53 PolarHBondContact O-N 2.93Å; E51-V53 PolarHBondContact O-N 2.94Å; V53-R56 PolarHBondContact O-N 3.45Å; V53-R57 VanDerWaalsContact CG1-CZ 3.44Å; V53-R57 VanDerWaalsContact CG1-NE 3.34Å; V53-R57 VanDerWaalsContact O-CG 3.26Å; V53-R57 WeakPolarHBondContact O-CG 3.38Å; V53-R57 PolarHBondContact O-N 3.19Å
54L97.3Very high92.6Very high42 Ų42130.3 Ų130.322%0.2265%0.647CS.*Hα-helixtrans-65.3-42.2175.5-66.7175.3000111.5R48 A49 P50 E51 R56 R57R48-L54 HydrophobicContact CG-CD1 4.19Å; A49-L54 HydrophobicContact CB-CD2 4.09Å; A49-L54 HydrophobicContact CB-CG 4.23Å; A49-L54 WeakPolarHBondContact O-CD1 3.15Å; P50-L54 PolarHBondContact O-N 3.31Å; P50-L54 VanDerWaalsContact O-N 3.14Å; E51-L54 PolarHBondContact O-N 3.47Å; E51-L54 VanDerWaalsContact O-N 3.12Å; L54-R56 VanDerWaalsContact C-N 3.29Å; L54-R56 PolarHBondContact O-N 3.24Å; L54-R57 PolarHBondContact O-N 2.94Å
55A97Very high93.3Very high83 Ų83139.6 Ų139.669%0.68666%0.664SS**Hα-helixtrans-64.5-30.3178.500000113.6E51E51-A55 WeakPolarHBondContact O-CB 3.44Å; E51-A55 PolarHBondContact O-N 2.79Å
56R97.3Very high92.8Very high219 Ų219136.7 Ų136.783%0.82666%0.657SS**Hα-helixtrans-83.6-20.9178.9-69.7174.6-170.5-169.74.7113.5D52 V53 L54D52-R56 WeakPolarHBondContact O-CD 3.36Å; D52-R56 VanDerWaalsContact O-CG 3.27Å; D52-R56 WeakPolarHBondContact O-CG 3.37Å; D52-R56 PolarHBondContact O-N 3.25Å; V53-R56 PolarHBondContact O-N 3.45Å; L54-R56 VanDerWaalsContact C-N 3.29Å; L54-R56 PolarHBondContact O-N 3.24Å
57R96.7Very high92Very high161 Ų161134 Ų13461%0.60866%0.656SS**SBendtrans-87.9138.7-176-75.6175.2177.9-177.72.2110.8V53 L54 I59V53-R57 VanDerWaalsContact CG1-CZ 3.44Å; V53-R57 VanDerWaalsContact CG1-NE 3.34Å; V53-R57 VanDerWaalsContact O-CG 3.26Å; V53-R57 WeakPolarHBondContact O-CG 3.38Å; V53-R57 PolarHBondContact O-N 3.19Å; L54-R57 PolarHBondContact O-N 2.94Å; R57-I59 PolarHBondContact O-N 3.29Å
58K96.9Very high91.1Very high188 Ų188132.3 Ų132.382%0.81764%0.643SS**  trans-77.5103.3172-173.1177.3-178.31790109.4L60K58-L60 HydrophobicContact CG-CD2 4.45Å
59I95.3Very high89.5Confident121 Ų121135.8 Ų135.862%0.62166%0.656SS**PPolyproline II helixtrans-83123175.3-56.2173.1000108.4R57R57-I59 PolarHBondContact O-N 3.29Å
60L95.6Very high88.1Confident144 Ų144140.8 Ų140.875%0.75467%0.672SS**PPolyproline II helixtrans-88.2126.9175.5-62.1179.5000109.7K58K58-L60 HydrophobicContact CG-CD2 4.45Å
61V93.5Very high86.8Confident137 Ų137147.1 Ų147.183%0.8369%0.691SS**PPolyproline II helixtrans-90.8118.5173.1-178.20000108.3R63V61-R63 PolarHBondContact O-N 3.07Å
62A90.6Very high85.4Confident82 Ų82148.7 Ų148.768%0.67870%0.698SS**PPolyproline II helixtrans-62.3126.8174.800000110.1R64A62-R64 PolarHBondContact O-N 3.02Å
63R90.7Very high84.1Confident228 Ų228148.1 Ų148.186%0.8670%0.701SS**  trans-64.7104.2175.3-176.1178.5178.1179.70.1108.7V61V61-R63 PolarHBondContact O-N 3.07Å
64R88.1Confident82.7Confident216 Ų216155 Ų15582%0.81573%0.73SS**  trans-68.5134.9172.3-65.8-176.2176.3-178.1-1.9108.8A62 V66A62-R64 PolarHBondContact O-N 3.02Å; R64-V66 HydrophobicContact CB-CG2 4.09Å; R64-V66 PolarHBondContact O-N 2.88Å
65R84.7Confident81.7Confident253 Ų253158.2 Ų158.296%0.95575%0.751SS**  trans-74.671.8166.1-64.2-179.1-179.3172.9-0.3108.1
66V73.3Confident80.7Confident105 Ų105159.3 Ų159.364%0.63675%0.745SS**  trans-76.4126.2163.6-175.90000105.2R64 E68R64-V66 HydrophobicContact CB-CG2 4.09Å; R64-V66 PolarHBondContact O-N 2.88Å; V66-E68 PolarHBondContact O-N 3.47Å
67P69.1Low79.7Confident105 Ų105154.1 Ų154.168%0.68274%0.74SS**  trans-58.5111.3168.724-29.9000106.2R69P67-R69 VanDerWaalsContact C-N 3.28Å; P67-R69 PolarHBondContact O-N 3.09Å
68E70.2Confident78.8Confident130 Ų130153.8 Ų153.861%0.60774%0.743SS**  trans-58.598.4173.1-76.3-177-179.700106.5V66 K70V66-E68 PolarHBondContact O-N 3.47Å; E68-K70 HydrophobicContact CB-CG 4.47Å; E68-K70 PolarHBondContact O-N 3.36Å; E68-K70 WeakPolarHBondContact OE2-CE 3.09Å; E68-K70 IonicContact OE2-NZ 3.55Å; E68-K70 PolarHBondContact OE2-NZ 3.48Å
69R60.6Low77.8Confident239 Ų239148.1 Ų148.190%0.90273%0.732SS**  trans-69.271.8165.3-71.4-173.5178.9158.9-1107.3P67P67-R69 VanDerWaalsContact C-N 3.28Å; P67-R69 PolarHBondContact O-N 3.09Å
70K65.1Low76.9Confident134 Ų134149.2 Ų149.258%0.58374%0.739SS**  trans-65.7132.6155.8-72.1177.1-177.9157.90105.2E68 E72E68-K70 HydrophobicContact CB-CG 4.47Å; E68-K70 PolarHBondContact O-N 3.36Å; E68-K70 WeakPolarHBondContact OE2-CE 3.09Å; E68-K70 IonicContact OE2-NZ 3.55Å; E68-K70 PolarHBondContact OE2-NZ 3.48Å; K70-E72 PolarHBondContact O-N 3.24Å
71K69.1Low76.1Confident220 Ų220148.2 Ų148.296%0.95773%0.728SS**SBendtrans-6642.3169.9-73.1-179.4171.4-177.80111
72E66.9Low75.3Confident146 Ų146151 Ų15168%0.68273%0.729SS**  trans-81.6137.4165-93.2-179.6139.700107.5K70 E74K70-E72 PolarHBondContact O-N 3.24Å; E72-E74 PolarHBondContact O-N 2.96Å
73P71.3Confident74.7Confident107 Ų107149.7 Ų149.770%0.69572%0.724SS**  trans-53.2135.3175.224.4-32.7000108.1V75P73-V75 VanDerWaalsContact O-CG2 3.3Å; P73-V75 WeakPolarHBondContact O-CG2 3.41Å; P73-V75 PolarHBondContact O-N 3.34Å
74E67.1Low73.6Confident195 Ų195146.2 Ų146.291%0.91172%0.715SS**  trans-5291.6174.2-81.6178.8141.800109.1E72 N76E72-E74 PolarHBondContact O-N 2.96Å; E74-N76 PolarHBondContact O-N 2.9Å
75V76.1Confident72.5Confident109 Ų109145.9 Ų145.966%0.66172%0.72SS**  trans-74.990.5169.4-159.40000104P73P73-V75 VanDerWaalsContact O-CG2 3.3Å; P73-V75 WeakPolarHBondContact O-CG2 3.41Å; P73-V75 PolarHBondContact O-N 3.34Å
76N77.4Confident71.5Confident107 Ų107136.7 Ų136.757%0.57270%0.704SS**  trans-47118.5177.8-145.4-12.7000107.1E74 F78 A79E74-N76 PolarHBondContact O-N 2.9Å; N76-F78 PolarHBondContact O-N 3.32Å; N76-A79 HydrophobicContact CB-CB 4.19Å; N76-A79 VanDerWaalsContact O-CB 3.25Å; N76-A79 WeakPolarHBondContact O-CB 3.5Å; N76-A79 PolarHBondContact O-N 2.69Å
77P75.4Confident71Confident110 Ų110137.1 Ų137.171%0.71470%0.702SS**THydrogen-bonded Turntrans-61.7-17.7-171.822.5-32.8000112.4
78F76.9Confident70.5Confident153 Ų153137.5 Ų137.567%0.67171%0.707SS**THydrogen-bonded Turntrans-89.8-7.3174.8-61-77.3000114.6N76 N80 F81N76-F78 PolarHBondContact O-N 3.32Å; F78-N80 PolarHBondContact O-N 3Å; F78-F81 WeakPolarHBondContact O-CB 3.43Å; F78-F81 PolarHBondContact O-N 2.8Å
79A76.6Confident69.9Low70 Ų70139.2 Ų139.258%0.57971%0.712SS**THydrogen-bonded Turntrans-62.2-28179.300000112.4N76N76-A79 HydrophobicContact CB-CB 4.19Å; N76-A79 VanDerWaalsContact O-CB 3.25Å; N76-A79 WeakPolarHBondContact O-CB 3.5Å; N76-A79 PolarHBondContact O-N 2.69Å
80N76.5Confident69.4Low144 Ų144132.9 Ų132.977%0.7771%0.705SS**THydrogen-bonded Turntrans-92.80.2174.4-71.8-20.8000113.6F78 K82F78-N80 PolarHBondContact O-N 3Å; N80-K82 VanDerWaalsContact C-N 3.32Å; N80-K82 PolarHBondContact O-N 3.1Å
81F80Confident68.6Low122 Ų122132 Ų13254%0.53571%0.711SS.*  trans-79.682.9175.2-160.7-93.4000109.9F78 G83 F84F78-F81 WeakPolarHBondContact O-CB 3.43Å; F78-F81 PolarHBondContact O-N 2.8Å; F81-G83 VanDerWaalsContact CE1-CA 3.42Å; F81-G83 PolarHBondContact O-N 3.03Å; F81-F84 AromaticContact CD1-CD2 3.72Å; F81-F84 HydrophobicContact CD1-CD2 3.72Å; F81-F84 HydrophobicContact CD1-CE2 4.21Å; F81-F84 AromaticContact CE1-CD2 3.33Å; F81-F84 HydrophobicContact CE1-CD2 3.33Å; F81-F84 AromaticContact CE1-CE2 3.51Å; F81-F84 HydrophobicContact CE1-CE2 3.51Å; F81-F84 HydrophobicContact CE1-CG 4.32Å; F81-F84 HydrophobicContact CZ-CD2 4.44Å; F81-F84 HydrophobicContact CZ-CE2 4.24Å
82K76.6Confident67.5Low196 Ų196129 Ų12985%0.85271%0.706SS**THydrogen-bonded Turntrans-67.58.1170.5-80.9-177.4175.2175.90113.9N80N80-K82 VanDerWaalsContact C-N 3.32Å; N80-K82 PolarHBondContact O-N 3.1Å
83G76.3Confident66.6Low54 Ų54127.9 Ų127.956%0.55771%0.713SS**THydrogen-bonded Turntrans-84.8-11.4-166.500000117.3F81F81-G83 VanDerWaalsContact CE1-CA 3.42Å; F81-G83 PolarHBondContact O-N 3.03Å
84F68.7Low65.4Low155 Ų155127.2 Ų127.268%0.6871%0.711SS**  trans-104.442.1179.9-82.6-74.4000113.9F81 G86 L87F81-F84 AromaticContact CD1-CD2 3.72Å; F81-F84 HydrophobicContact CD1-CD2 3.72Å; F81-F84 HydrophobicContact CD1-CE2 4.21Å; F81-F84 AromaticContact CE1-CD2 3.33Å; F81-F84 HydrophobicContact CE1-CD2 3.33Å; F81-F84 AromaticContact CE1-CE2 3.51Å; F81-F84 HydrophobicContact CE1-CE2 3.51Å; F81-F84 HydrophobicContact CE1-CG 4.32Å; F81-F84 HydrophobicContact CZ-CD2 4.44Å; F81-F84 HydrophobicContact CZ-CE2 4.24Å; F84-G86 PolarHBondContact O-N 2.96Å; F84-G86 VanDerWaalsContact O-N 3.09Å; F84-L87 HydrophobicContact CE1-CD1 4.5Å
85K63.9Low64.3Low210 Ų210123.6 Ų123.691%0.91370%0.703SS**THydrogen-bonded Turntrans-77.117.1178.2-127.5-176.6-177.2-171.30114.8
86G64Low62.9Low60 Ų60126.7 Ų126.762%0.61972%0.715SS**THydrogen-bonded Turntrans-138.1-0.1-16500000118.4F84F84-G86 PolarHBondContact O-N 2.96Å; F84-G86 VanDerWaalsContact O-N 3.09Å
87L63.5Low61.5Low113 Ų113125.6 Ų125.659%0.59272%0.72SS**  trans-128.269.5-177.9-63.6174000111.1F84 F89F84-L87 HydrophobicContact CE1-CD1 4.5Å; L87-F89 VanDerWaalsContact C-N 3.31Å; L87-F89 HydrophobicContact CB-CD2 4.18Å; L87-F89 HydrophobicContact CB-CE2 3.79Å; L87-F89 HydrophobicContact CB-CZ 4.46Å; L87-F89 HydrophobicContact CD1-CE2 4.23Å; L87-F89 HydrophobicContact CD1-CZ 4.43Å; L87-F89 HydrophobicContact CG-CE2 4.46Å; L87-F89 PolarHBondContact O-N 3.43Å; L87-F89 VanDerWaalsContact O-N 3.1Å
88S57.4Low60.3Low113 Ų113129.8 Ų129.879%0.7973%0.727SS**  trans-69.593.4155.744.80000108S90S88-S90 PolarHBondContact O-N 3.19Å
89F58.4Low58.7Low166 Ų166127.8 Ų127.873%0.72873%0.732SS**  trans-70.883.5161.4-68.2-82.9000108L87 T91L87-F89 VanDerWaalsContact C-N 3.31Å; L87-F89 HydrophobicContact CB-CD2 4.18Å; L87-F89 HydrophobicContact CB-CE2 3.79Å; L87-F89 HydrophobicContact CB-CZ 4.46Å; L87-F89 HydrophobicContact CD1-CE2 4.23Å; L87-F89 HydrophobicContact CD1-CZ 4.43Å; L87-F89 HydrophobicContact CG-CE2 4.46Å; L87-F89 PolarHBondContact O-N 3.43Å; L87-F89 VanDerWaalsContact O-N 3.1Å; F89-T91 PolarHBondContact O-N 2.99Å
90S49.4Very low57.5Low106 Ų106129.7 Ų129.774%0.74174%0.742SS**  trans-73.5102.9150.3-81.60000106.1S88S88-S90 PolarHBondContact O-N 3.19Å
91T48.7Very low56.2Low115 Ų115128 Ų12871%0.70674%0.741SS**  trans-136.6101.1161-35.10000107.1F89 S93F89-T91 PolarHBondContact O-N 2.99Å; T91-S93 PolarHBondContact O-N 3.31Å
92D45.7Very low55Low159 Ų159128.4 Ų128.485%0.8575%0.753SS**  trans-50.1115.1167-60.3-52.7000108.8
93S49.3Very low53.3Low121 Ų121124.6 Ų124.685%0.84675%0.746SS**  trans-117.593.5161.2-170.80000107.1T91T91-S93 PolarHBondContact O-N 3.31Å
94S46Very low52.7Low93 Ų93128.2 Ų128.265%0.6576%0.76SS**  trans-65139.617351.50000111.3
95T43.9Very low51.9Low120 Ų120126.2 Ų126.274%0.73676%0.761SS**  trans60.3102.7140.959.50000118.4
96L47.1Very low51Low173 Ų173121.9 Ų121.991%0.90675%0.752SS**  -166.492.3128.6-115.7115.6000106.7
97A46.3Very low50Low84 Ų84124.1 Ų124.169%0.69476%0.759SS**  73.1101.6101.500000114
98K50.4Low49.3Very low198 Ų198122.7 Ų122.786%0.86176%0.763SS**  74.1104.5124.8-148.1166.6-172174.40116.1
99S44.7Very low48.8Very low111 Ų111122.2 Ų122.278%0.77676%0.76SS**  167.4140.3111.3-69.90000112.4
100S50.4Low48.7Very low111 Ų111123.7 Ų123.778%0.77677%0.766SS**  trans73.190.4154.5-1720000117.8
101S48.5Very low48.8Very low107 Ų107127.7 Ų127.775%0.74877%0.77SS**  5710087.1173.10000114.1
102V56.3Low49.2Very low132 Ų132127.9 Ų127.980%0.878%0.776SS**  -165.9139114-170.20000108.9
103T41.2Very low49.5Very low115 Ų115128 Ų12871%0.70678%0.777SS**  trans-49.9152.1-179.838.90000118.4
104P63.1Low49.4Very low131 Ų131125.8 Ų125.885%0.85177%0.773SS**  trans-125.3134.6135.135-25.2000113
105T51Low49.6Very low113 Ų113130.3 Ų130.369%0.69378%0.783SS**  trans-99.9147.1-175.5-46.90000110.6
106T44.8Very low49.9Very low118 Ų118130.9 Ų130.972%0.72478%0.782SS**  trans76.198.3151.838.50000121.4
107S43.8Very low49.9Very low108 Ų108130.4 Ų130.476%0.75578%0.775SS**  51.2119.9113.166.30000120.9
108A48.8Very low50Low83 Ų83137.3 Ų137.369%0.68678%0.783SS**  -167.8123.6114.700000110.6F110A108-F110 HydrophobicContact CB-CE2 4.05Å
109S47.6Very low50.1Low103 Ų103133.4 Ų133.472%0.7278%0.781SS**  trans-97.4128.8171.9145.70000107.9
110F55.2Low50.1Low196 Ų196134.2 Ų134.286%0.8678%0.781SS**  trans-121.1110.2163.2-68.5-77000109.1A108A108-F110 HydrophobicContact CB-CE2 4.05Å
111K51.1Low49.9Very low190 Ų190133 Ų13383%0.82678%0.778SS**  trans-82.9136.3158.7-76.7179170.6-177.40107.7
112S58Low49.6Very low120 Ų120135.5 Ų135.584%0.83978%0.783SS**  trans-142.6110.9154.360.20000109
113D52Low48.8Very low161 Ų161134.6 Ų134.686%0.86178%0.777SS**  trans-69.4152.3167.7-83.1-49.9000111.6
114G47.3Very low49Very low74 Ų74135.7 Ų135.776%0.76378%0.784SS**  trans87101.6140.700000118
115H50.3Low47.9Very low188 Ų188135 Ų13587%0.8778%0.777SS**  -153.1136.3127.8-147.7-78.7000112.2
116D49.6Very low47.7Very low132 Ų132134.1 Ų134.171%0.70678%0.781SS**  trans-66.7150.9-174.9-81.9-51.9000115.9
117E48.5Very low47.6Very low163 Ų163134.8 Ų134.876%0.76278%0.781SS**  trans60.5126.6133.1-70.6-154.814700122.9
118R47.3Very low47.6Very low230 Ų230136.6 Ų136.687%0.86878%0.782SS**  81.6102.1127.1-167.8178.1-166.8-174.83.2117.7
119S53Low47.1Very low115 Ų115137.8 Ų137.880%0.80479%0.785SS**  -159.9134.9119.5-164.50000112
120T45.2Very low46.8Very low129 Ų129138.8 Ų138.879%0.79179%0.792SS**  trans-66155.7179.724.10000114.7
121A45.5Very low46.5Very low84 Ų84134.6 Ų134.669%0.69479%0.787SS**  trans-9138.2159.800000118.3
122D42.3Very low46.3Very low161 Ų161134.9 Ų134.986%0.86179%0.789SS**  -161.1139.1109.8-103.5-30.6000114.1
123T38.4Very low45.4Very low112 Ų112134.1 Ų134.169%0.68779%0.789SS**  trans-52.6131.8169.4-56.20000113.2
124V46.7Very low45.4Very low139 Ų139131.8 Ų131.884%0.84279%0.786SS**  trans-148.2111.3139.2-166.70000110.6
125T39.7Very low45.1Very low115 Ų115135.3 Ų135.371%0.70679%0.787SS**  trans-68.4129.5159.7-43.30000109
126A47Very low44.8Very low95 Ų95133.2 Ų133.279%0.78579%0.787SS**  trans-136.7111.2163.400000109.7
127D41.5Very low44.8Very low132 Ų132133.8 Ų133.871%0.70679%0.789SS**  trans-61.3172169.2-73-53.4000113.6
128N43.7Very low44.8Very low147 Ų147131.4 Ų131.479%0.78679%0.788SS**  trans101114.6141-73.1-26.1000119.5
129S40.3Very low44.6Very low107 Ų107125.2 Ų125.275%0.74878%0.78SS**  124.9103.3129.2-51.60000110.4
130S40.9Very low44.2Very low125 Ų125125 Ų12587%0.87478%0.779SS**  cis49.488.643.2-169.30000114
131S48.4Very low44.3Very low107 Ų107122.2 Ų122.275%0.74877%0.769SS**  trans-158.9106.2149.759.10000107.1
132K45.8Very low44.7Very low197 Ų197126 Ų12686%0.85777%0.772SS**  96.496.590.5-104.3-179.3172.9176.40111.1
133A40.3Very low45.1Very low104 Ų104125.2 Ų125.286%0.8676%0.761SS**  trans-63.1137.5145.700000108.8
134S52.1Low45.6Very low112 Ų112127.7 Ų127.778%0.78377%0.765SS**  trans-138.2101.7163.153.30000107.9
135D40.3Very low45.9Very low148 Ų148125.7 Ų125.779%0.79176%0.757SS**  trans-43.8142.7142-93.1-46.6000110.3
136V45.4Very low46.3Very low144 Ų144127.1 Ų127.187%0.87376%0.761SS**  -178.7114129.4158.60000107.7
137L47.9Very low46.4Very low143 Ų143129.4 Ų129.475%0.74977%0.765SS**  trans-66.7-162.7169.3-70.8161.1000111.9
138P49Very low46.7Very low113 Ų113128 Ų12873%0.73477%0.765SS**  -130.5-172.7-7239.8-23.1000109.9
139S43.3Very low47.1Very low101 Ų101129.5 Ų129.571%0.70677%0.765SS**  trans160.8110144.2179.30000109.2
140S44.1Very low47.5Very low110 Ų110130 Ų13077%0.76977%0.765SS**  75.1142.9109.598.80000113.7
141A47.9Very low48Very low71 Ų71133.2 Ų133.259%0.58776%0.764SS**  cis-161.7151.223.700000109.9
142E54.6Low47.9Very low164 Ų164132.5 Ų132.577%0.76676%0.759SS**  trans69.2137.4141-67.6175.3-146.400118.1
143K49.6Very low47.9Very low144 Ų144128.7 Ų128.763%0.62676%0.757SS**  cis-172.4140.830.2-143.5167.2169.5156.20111
144E49.1Very low48.2Very low163 Ų163128.5 Ų128.576%0.76275%0.745SS**  trans59.1140.5143.4-74.6163.1-161.500119.9
145S52.4Low48.1Very low98 Ų98130.7 Ų130.769%0.68575%0.747SS**  cis-165141.49.744.50000111.3
146D48.3Very low48.7Very low145 Ų145132.3 Ų132.378%0.77575%0.747SS**  trans34.2118.6137.5-57-38.2000121.2
147T49.3Very low49.1Very low143 Ų143132.4 Ų132.488%0.87774%0.738SS**  -178.9133.591.1260000112.6
148S47.7Very low49.8Very low101 Ų101131 Ų13171%0.70674%0.738SS**  trans-63.6146.8-174.655.20000117.1
149K51.5Low49.7Very low179 Ų179130.4 Ų130.478%0.77873%0.731SS**  -179.8141111-97.9172.9-176.3-179.30111.3
150P50.5Low50Low118 Ų118132.1 Ų132.177%0.76673%0.731SS**  trans-89.6130.3-173.934.8-29.5000110.5
151F49.7Very low50.5Low192 Ų192135.7 Ų135.784%0.84273%0.733SS**  trans-119.198.8165-83-79.7000109.8
152S47.8Very low50.5Low92 Ų92143.6 Ų143.664%0.64375%0.747SS**  trans18.9109.3135.2-172.20000116.2V154S152-V154 PolarHBondContact O-N 2.99Å
153S44.7Very low50.4Low118 Ų118140.7 Ų140.783%0.82575%0.745SS**  trans-50.8101.9154.944.90000110.6
154V46.5Very low50.2Low99 Ų99138.7 Ų138.760%0.675%0.749SS**  trans-103.8109.8163.5178.70000107S152 F156S152-V154 PolarHBondContact O-N 2.99Å; V154-F156 HydrophobicContact CG1-CD2 3.87Å; V154-F156 HydrophobicContact CG1-CE2 3.93Å; V154-F156 PolarHBondContact O-N 3.34Å; V154-F156 VanDerWaalsContact O-N 3.15Å
155I50.5Low50.5Low159 Ų159138 Ų13882%0.81575%0.749SS**  trans-60.6106.7163.8-63.3167.4000106
156F52.3Low50.2Low182 Ų182139.4 Ų139.480%0.79875%0.749SS**  trans-88.4101.3167-101.5-88.5000107.9V154V154-F156 HydrophobicContact CG1-CD2 3.87Å; V154-F156 HydrophobicContact CG1-CE2 3.93Å; V154-F156 PolarHBondContact O-N 3.34Å; V154-F156 VanDerWaalsContact O-N 3.15Å
157E55.4Low50.6Low145 Ų145142 Ų14268%0.67875%0.754SS**  trans-62.2128.3155.2-78.2-166.7150.900108.7V159E157-V159 VanDerWaalsContact C-N 3.26Å; E157-V159 HydrophobicContact CB-CG2 4.32Å; E157-V159 PolarHBondContact O-N 2.92Å
158P61.6Low50.8Low115 Ų115141 Ų14175%0.74774%0.743SS**  trans-7588.3161.930.9-29.6000108I160P158-I160 HydrophobicContact CB-CG1 4.37Å; P158-I160 PolarHBondContact O-N 3.5Å
159V46Very low50.6Low100 Ų100143.6 Ų143.661%0.60675%0.749SS**  trans-69.776.6159.5-179.80000107.2E157 K161E157-V159 VanDerWaalsContact C-N 3.26Å; E157-V159 HydrophobicContact CB-CG2 4.32Å; E157-V159 PolarHBondContact O-N 2.92Å; V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 HydrophobicContact CG1-CG 4.05Å; V159-K161 PolarHBondContact O-N 3.48Å; V159-K161 VanDerWaalsContact O-N 3.16Å
160I50.5Low50.8Low137 Ų137143 Ų14370%0.70375%0.753SS**  trans-78.895.5162.6-61.5176.4000105.5P158 R162P158-I160 HydrophobicContact CB-CG1 4.37Å; P158-I160 PolarHBondContact O-N 3.5Å; I160-R162 VanDerWaalsContact C-N 3.26Å; I160-R162 PolarHBondContact O-N 3.49Å
161K55.1Low51Low185 Ų185142.4 Ų142.480%0.80475%0.749SS**  trans-57.995.6160.7-66.2-179179.7178.50106.9V159 S163V159-K161 VanDerWaalsContact C-N 3.33Å; V159-K161 HydrophobicContact CG1-CG 4.05Å; V159-K161 PolarHBondContact O-N 3.48Å; V159-K161 VanDerWaalsContact O-N 3.16Å; K161-S163 PolarHBondContact O-N 2.94Å; K161-S163 VanDerWaalsContact O-N 3.08Å
162R48.6Very low50.8Low236 Ų236139 Ų13989%0.89175%0.749SS**  trans-62.5106.5160.3-76.8-178.4167.8173.3-4.1105.9I160 S164I160-R162 VanDerWaalsContact C-N 3.26Å; I160-R162 PolarHBondContact O-N 3.49Å; R162-S164 PolarHBondContact O-N 3.21Å
163S50.7Low51.2Low103 Ų103141.4 Ų141.472%0.7275%0.754SS**  trans-55.2125.7164.8400000108K161 I165K161-S163 PolarHBondContact O-N 2.94Å; K161-S163 VanDerWaalsContact O-N 3.08Å; S163-I165 PolarHBondContact O-N 3.07Å
164S45.8Very low51.7Low102 Ų102147.7 Ų147.771%0.71376%0.759SS**  trans-60.4102.616750.10000108.1R162 D166R162-S164 PolarHBondContact O-N 3.21Å; S164-D166 PolarHBondContact O-N 3.29Å
165I54.8Low51.8Low148 Ų148152.2 Ų152.276%0.75977%0.771SS**  trans-72.6107156.3-79.2169.2000105.2S163 K167S163-I165 PolarHBondContact O-N 3.07Å; I165-K167 PolarHBondContact O-N 2.94Å; I165-K167 VanDerWaalsContact O-N 3.1Å
166D47.1Very low51.6Low128 Ų128154 Ų15468%0.68478%0.776SS**  trans-48.8110.6171-80.5-48000109.7S164 N168S164-D166 PolarHBondContact O-N 3.29Å; D166-N168 PolarHBondContact O-N 2.88Å
167K57Low51.5Low200 Ų200149.2 Ų149.287%0.8777%0.77SS**  trans-94.174.5161.9-69.6-177.1178.9-179.60107.3I165I165-K167 PolarHBondContact O-N 2.94Å; I165-K167 VanDerWaalsContact O-N 3.1Å
168N52.4Low50.9Low122 Ų122150.2 Ų150.265%0.65278%0.78SS**  trans-102139.1162.4-68.4-29.5000107.9D166D166-N168 PolarHBondContact O-N 2.88Å
169D44.9Very low50.5Low155 Ų155151.7 Ų151.783%0.82978%0.78SS**  trans80.769165.5-48.2-29.7000118
170I54.7Low50.6Low167 Ų167153.5 Ų153.586%0.85679%0.791SS**  trans-130.3117.5144.2-54.7179000108.5
171P55.2Low50.2Low106 Ų106150.3 Ų150.369%0.68879%0.792SS**  trans-72.5137.5-172.128.3-32.7000112.2L173P171-L173 PolarHBondContact O-N 3.47Å
172S45.3Very low49.8Very low121 Ų121146 Ų14685%0.84679%0.785SS**  trans-54.3117.5168.453.60000111.9
173L57.3Low49.8Very low142 Ų142144.5 Ų144.574%0.74379%0.788SS**  trans-139.746.4178.4-149.4133.2000112.7P171P171-L173 PolarHBondContact O-N 3.47Å
174W54.6Low50.1Low249 Ų249145.7 Ų145.794%0.94379%0.785SS**  trans-146.367.9179.7-5164.3000109.6
175K48.2Very low50.5Low195 Ų195149.8 Ų149.885%0.84879%0.792SS**  trans-137.9143.2157-86.8-171176.5-177.40107.1
176E46.6Very low50.5Low197 Ų197149 Ų14992%0.92179%0.786SS**  trans76.5131.5176-64.7174.515600114.4
177A50.2Low51.1Low80 Ų80151 Ų15166%0.66179%0.791SS**  cis-164157.21.500000108.2I179A177-I179 PolarHBondContact O-N 3.35Å; A177-I179 VanDerWaalsContact O-N 3.08Å
178D42.3Very low51.1Low167 Ų167147.1 Ų147.189%0.89379%0.786SS**  trans-44.3106.7159.7-72.1-53.2000111.9
179I53.7Low51.5Low145 Ų145142.7 Ų142.774%0.74477%0.77SS**  trans-143.496.6159.3-55-178.9000109.1A177A177-I179 PolarHBondContact O-N 3.35Å; A177-I179 VanDerWaalsContact O-N 3.08Å
180V48.7Very low53Low138 Ų138140.3 Ų140.384%0.83676%0.762SS**  33.7108.1126.5-173.70000116.5
181G40.9Very low54.1Low70 Ų70142.5 Ų142.572%0.72276%0.76SS**  63.5108.3127.200000118.4
182S47.4Very low55.1Low95 Ų95143.2 Ų143.266%0.66475%0.749SS**  -174.2125.9121.951.50000109.5I184S182-I184 VanDerWaalsContact C-N 3.27Å; S182-I184 PolarHBondContact O-N 2.91Å
183H47.6Very low56.8Low205 Ų205142.5 Ų142.595%0.94974%0.735SS**  trans-61.985.6168.7-145.4-73.8000108.2
184I58.3Low58.3Low128 Ų128142.6 Ų142.666%0.65673%0.73SS**  trans-94.3113.2171.8-65.7174.6000106.6S182 E186S182-I184 VanDerWaalsContact C-N 3.27Å; S182-I184 PolarHBondContact O-N 2.91Å; I184-E186 PolarHBondContact O-N 3.38Å
185E53.7Low59.9Low187 Ų187138.3 Ų138.387%0.87471%0.714SS**  trans-5887.8168.3-152.3-179.5-168.500108.2Q187E185-Q187 PolarHBondContact O-N 2.72Å
186E55.5Low61.8Low132 Ų132132.7 Ų132.762%0.61770%0.695SS**  trans-67.1106.7177.9-88.3-161.9157.800109.1I184 R192I184-E186 PolarHBondContact O-N 3.38Å; E186-R192 IonicContact OE2-CZ 3.49Å; E186-R192 IonicContact OE2-NE 2.72Å; E186-R192 IonicContact OE2-NH2 3.52Å; E186-R192 PolarHBondContact OE2-NH2 2.62Å
187Q58.9Low63.9Low170 Ų170128.5 Ų128.579%0.79468%0.678SS**  trans-46.7144.4161.9-79.5-147.8-6.700110.9E185 G189E185-Q187 PolarHBondContact O-N 2.72Å; Q187-G189 PolarHBondContact O-N 2.96Å
188P57.6Low65.9Low118 Ų118130 Ų13077%0.76667%0.671SS**  trans-67.680.1173.629.5-33.4000109.5
189G61Low68.3Low30 Ų30122.4 Ų122.431%0.30963%0.631SS.*  trans-82.5152.5175.800000111.4Q187 R191 R192Q187-G189 PolarHBondContact O-N 2.96Å; G189-R191 PolarHBondContact O-N 2.69Å; G189-R192 PolarHBondContact O-N 3.46Å; G189-R192 VanDerWaalsContact O-N 3.16Å
190P75.8Confident70Confident104 Ų104119.4 Ų119.468%0.67562%0.619SS**THydrogen-bonded Turntrans-61.56.3-176.724.9-35.4000115.5
191R76.7Confident72.2Confident214 Ų214116 Ų11681%0.80860%0.601SS**Hα-helixtrans-81.5-31173.1-68.6-174.1175-179-1.5112.6G189G189-R191 PolarHBondContact O-N 2.69Å
192R76.4Confident74.7Confident121 Ų121116.4 Ų116.446%0.45758%0.583SS.*Hα-helixtrans-66.3-41.3179.2-71.6-173.1-179.7160.9-0.9111.1E186 G189 K194 R195 V196E186-R192 IonicContact OE2-CZ 3.49Å; E186-R192 IonicContact OE2-NE 2.72Å; E186-R192 IonicContact OE2-NH2 3.52Å; E186-R192 PolarHBondContact OE2-NH2 2.62Å; G189-R192 PolarHBondContact O-N 3.46Å; G189-R192 VanDerWaalsContact O-N 3.16Å; R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 2.82Å; R192-R195 PolarHBondContact O-N 2.96Å; R192-V196 WeakPolarHBondContact O-CG2 3.49Å; R192-V196 PolarHBondContact O-N 3.08Å; R192-V196 VanDerWaalsContact O-N 3.09Å
193D82.6Confident76.9Confident105 Ų105113.3 Ų113.356%0.56156%0.559SS**Hα-helixtrans-60.5-40-179.6-59.5-21000112.5R195 V196 I197D193-R195 PolarHBondContact O-N 3.44Å; D193-V196 PolarHBondContact O-N 3.36Å; D193-I197 WeakPolarHBondContact O-CB 3.29Å; D193-I197 WeakPolarHBondContact O-CD1 3.48Å; D193-I197 WeakPolarHBondContact O-CG1 3.48Å; D193-I197 PolarHBondContact O-N 3.31Å
194K89Confident79Confident145 Ų145109.9 Ų109.963%0.6354%0.541SS*.Hα-helixtrans-62.3-45178.5-67-173179.9-1720112.4R192 I197 E198R192-K194 VanDerWaalsContact C-N 3.32Å; R192-K194 PolarHBondContact O-N 2.82Å; K194-I197 PolarHBondContact O-N 3.25Å; K194-E198 WeakPolarHBondContact O-CG 3.41Å; K194-E198 PolarHBondContact O-N 3.05Å
195R88Confident80.7Confident159 Ų159106.5 Ų106.560%0.653%0.532SS*.Hα-helixtrans-65.3-39.8178.5-68-173.5-176.6-177.61.5111.9R192 D193 E198 F199R192-R195 PolarHBondContact O-N 2.96Å; D193-R195 PolarHBondContact O-N 3.44Å; R195-E198 PolarHBondContact O-N 3.02Å; R195-F199 VanDerWaalsContact O-CB 3.22Å; R195-F199 WeakPolarHBondContact O-CB 3.49Å; R195-F199 PolarHBondContact O-N 3.21Å
196V87.6Confident82.6Confident76 Ų7698.6 Ų98.646%0.46150%0.496SS..Hα-helixtrans-65.9-42.2176.9175.80000110.6R192 D193 F199 V200R192-V196 WeakPolarHBondContact O-CG2 3.49Å; R192-V196 PolarHBondContact O-N 3.08Å; R192-V196 VanDerWaalsContact O-N 3.09Å; D193-V196 PolarHBondContact O-N 3.36Å; V196-F199 PolarHBondContact O-N 2.97Å; V196-V200 HydrophobicContact CG1-CG2 4.29Å; V196-V200 WeakPolarHBondContact O-CB 3.41Å; V196-V200 VanDerWaalsContact O-CG2 3.23Å; V196-V200 WeakPolarHBondContact O-CG2 3.49Å; V196-V200 PolarHBondContact O-N 3.29Å
197I89.9Confident84.4Confident110 Ų11095.1 Ų95.156%0.56448%0.481SS*.Hα-helixtrans-63-45.6176.8-68.2162.6000110.8D193 K194 V200 S201D193-I197 WeakPolarHBondContact O-CB 3.29Å; D193-I197 WeakPolarHBondContact O-CD1 3.48Å; D193-I197 WeakPolarHBondContact O-CG1 3.48Å; D193-I197 PolarHBondContact O-N 3.31Å; K194-I197 PolarHBondContact O-N 3.25Å; I197-V200 PolarHBondContact O-N 3.37Å; I197-S201 WeakPolarHBondContact O-CB 3.23Å; I197-S201 PolarHBondContact O-N 3.19Å; I197-S201 PolarHBondContact O-OG 3Å
198E92.8Very high85.9Confident111 Ų11188.6 Ų88.652%0.51946%0.46SS..Hα-helixtrans-62.1-44176.5-74.8173.5-169.100111.8K194 R195 S201 K202K194-E198 WeakPolarHBondContact O-CG 3.41Å; K194-E198 PolarHBondContact O-N 3.05Å; R195-E198 PolarHBondContact O-N 3.02Å; E198-S201 WeakPolarHBondContact O-CB 3.4Å; E198-S201 PolarHBondContact O-N 3.44Å; E198-K202 WeakPolarHBondContact O-CG 3.4Å; E198-K202 PolarHBondContact O-N 3.02Å
199F91.7Very high87.6Confident8 Ų888 Ų884%0.03545%0.45CS..Hα-helixtrans-60.7-49.5176.2175.1-110000112.4R195 V196 S201 K202 I203 L240 Q241 H244 I246 L252R195-F199 VanDerWaalsContact O-CB 3.22Å; R195-F199 WeakPolarHBondContact O-CB 3.49Å; R195-F199 PolarHBondContact O-N 3.21Å; V196-F199 PolarHBondContact O-N 2.97Å; F199-S201 PolarHBondContact O-N 3.49Å; F199-K202 PolarHBondContact O-N 3.47Å; F199-I203 HydrophobicContact CD1-CD1 3.81Å; F199-I203 HydrophobicContact CD2-CD1 4.2Å; F199-I203 HydrophobicContact CD2-CG1 4.5Å; F199-I203 HydrophobicContact CE1-CD1 3.24Å; F199-I203 HydrophobicContact CE1-CG1 4.41Å; F199-I203 HydrophobicContact CE2-CD1 3.67Å; F199-I203 HydrophobicContact CE2-CG1 4.2Å; F199-I203 HydrophobicContact CG-CD1 4.28Å; F199-I203 HydrophobicContact CZ-CD1 3.19Å; F199-I203 HydrophobicContact CZ-CG1 4.2Å; F199-I203 WeakPolarHBondContact O-CG1 3.36Å; F199-I203 PolarHBondContact O-N 2.93Å; F199-L240 HydrophobicContact CE2-CB 4.26Å; F199-Q241 HydrophobicContact CE2-CG 3.96Å; F199-Q241 HydrophobicContact CZ-CG 3.79Å; F199-H244 HydrophobicContact CB-CB 4.24Å; F199-H244 HydrophobicContact CD2-CB 4.01Å; F199-H244 AromaticContact CD2-CG 3.76Å; F199-H244 AromaticContact CD2-ND1 3.66Å; F199-H244 HydrophobicContact CG-CB 4.39Å; F199-I246 HydrophobicContact CB-CD1 4.09Å; F199-I246 HydrophobicContact CD1-CD1 3.19Å; F199-I246 HydrophobicContact CD2-CD1 3.75Å; F199-I246 HydrophobicContact CE1-CD1 3.27Å; F199-I246 HydrophobicContact CE2-CD1 3.83Å; F199-I246 HydrophobicContact CG-CD1 3.4Å; F199-I246 VanDerWaalsContact CG-CD1 3.4Å; F199-I246 HydrophobicContact CZ-CD1 3.57Å; F199-L252 HydrophobicContact CE1-CD1 4.39Å
200V90.7Very high89.1Confident82 Ų8288 Ų8850%0.49744%0.442SS..Hα-helixtrans-61.5-37.2177.8170.90000110.8V196 I197 K204V196-V200 HydrophobicContact CG1-CG2 4.29Å; V196-V200 WeakPolarHBondContact O-CB 3.41Å; V196-V200 VanDerWaalsContact O-CG2 3.23Å; V196-V200 WeakPolarHBondContact O-CG2 3.49Å; V196-V200 PolarHBondContact O-N 3.29Å; I197-V200 PolarHBondContact O-N 3.37Å; V200-K204 WeakPolarHBondContact O-CB 3.28Å; V200-K204 PolarHBondContact O-N 2.93Å
201S94.4Very high89.8Confident67 Ų6786.8 Ų86.847%0.46943%0.432SS..Hα-helixtrans-65.7-43.9176.7-57.60000111.6I197 E198 F199 K204 A205I197-S201 WeakPolarHBondContact O-CB 3.23Å; I197-S201 PolarHBondContact O-N 3.19Å; I197-S201 PolarHBondContact O-OG 3Å; E198-S201 WeakPolarHBondContact O-CB 3.4Å; E198-S201 PolarHBondContact O-N 3.44Å; F199-S201 PolarHBondContact O-N 3.49Å; S201-K204 PolarHBondContact O-N 3.45Å; S201-A205 PolarHBondContact O-N 3.21Å
202K94.1Very high90.6Very high77 Ų7782.6 Ų82.634%0.33542%0.422SS..Hα-helixtrans-64.1-43.5175.6-75.7176.9175179.50112.2E198 F199 K204 A205 L206 L240 E243 H244E198-K202 WeakPolarHBondContact O-CG 3.4Å; E198-K202 PolarHBondContact O-N 3.02Å; F199-K202 PolarHBondContact O-N 3.47Å; K202-K204 VanDerWaalsContact C-N 3.34Å; K202-K204 PolarHBondContact O-N 3.35Å; K202-A205 PolarHBondContact O-N 2.82Å; K202-L206 WeakPolarHBondContact O-CB 3.41Å; K202-L206 PolarHBondContact O-N 2.54Å; K202-L240 HydrophobicContact CB-CD1 4.48Å; K202-L240 HydrophobicContact CB-CD2 4.16Å; K202-L240 HydrophobicContact CD-CD2 3.84Å; K202-E243 IonicContact NZ-OE1 2.92Å; K202-E243 PolarHBondContact NZ-OE1 2.98Å; K202-E243 IonicContact NZ-OE2 2.96Å; K202-E243 PolarHBondContact NZ-OE2 2.71Å; K202-H244 VanDerWaalsContact CD-CE1 3.44Å; K202-H244 WeakPolarHBondContact CD-CE1 3.48Å; K202-H244 PolarHBondContact NZ-CE1 3.07Å; K202-H244 PolarHBondContact NZ-NE2 2.54Å
203I92.6Very high91.4Very high31 Ų3180.8 Ų80.816%0.15942%0.418CS..Hα-helixtrans-60.8-44.6174.8-72.2177000110.8F199 A205 L206 N207 M237F199-I203 HydrophobicContact CD1-CD1 3.81Å; F199-I203 HydrophobicContact CD2-CD1 4.2Å; F199-I203 HydrophobicContact CD2-CG1 4.5Å; F199-I203 HydrophobicContact CE1-CD1 3.24Å; F199-I203 HydrophobicContact CE1-CG1 4.41Å; F199-I203 HydrophobicContact CE2-CD1 3.67Å; F199-I203 HydrophobicContact CE2-CG1 4.2Å; F199-I203 HydrophobicContact CG-CD1 4.28Å; F199-I203 HydrophobicContact CZ-CD1 3.19Å; F199-I203 HydrophobicContact CZ-CG1 4.2Å; F199-I203 WeakPolarHBondContact O-CG1 3.36Å; F199-I203 PolarHBondContact O-N 2.93Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 2.96Å; I203-L206 PolarHBondContact O-N 3.31Å; I203-N207 WeakPolarHBondContact O-CB 3.35Å; I203-N207 PolarHBondContact O-N 2.87Å; I203-N207 PolarHBondContact O-OD1 3.33Å; I203-M237 HydrophobicContact CD1-CE 3.75Å; I203-M237 HydrophobicContact CD1-SD 4.48Å; I203-M237 HydrophobicContact CG1-CE 3.94Å; I203-M237 HydrophobicContact CG1-SD 4.01Å; I203-M237 HydrophobicContact CG2-CE 4.4Å; I203-M237 HydrophobicContact CG2-SD 4.43Å
204K92.9Very high91.8Very high133 Ų13377.8 Ų77.858%0.57840%0.402SS*.Hα-helixtrans-62.3-42.5-179.4-172.1179.6178.5-1760111.5V200 S201 K202 G208V200-K204 WeakPolarHBondContact O-CB 3.28Å; V200-K204 PolarHBondContact O-N 2.93Å; S201-K204 PolarHBondContact O-N 3.45Å; K202-K204 VanDerWaalsContact C-N 3.34Å; K202-K204 PolarHBondContact O-N 3.35Å; K204-G208 PolarHBondContact O-N 2.61Å
205A93.4Very high91.9Very high56 Ų5677 Ų7746%0.46340%0.395SS..Hα-helixtrans-62-48.9174.400000111.3S201 K202 I203 N207 G208 D209S201-A205 PolarHBondContact O-N 3.21Å; K202-A205 PolarHBondContact O-N 2.82Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 2.96Å; A205-N207 VanDerWaalsContact C-N 3.32Å; A205-N207 PolarHBondContact O-N 2.99Å; A205-G208 PolarHBondContact O-N 3.3Å; A205-G208 VanDerWaalsContact O-N 3.11Å; A205-D209 PolarHBondContact O-N 3.01Å
206L93Very high92.2Very high22 Ų2276 Ų7612%0.11540%0.395CS..Hα-helixtrans-59.1-42178.4-178.561.6000112.4K202 I203 G208 D209 F210 Y233 H236 M237 L240K202-L206 WeakPolarHBondContact O-CB 3.41Å; K202-L206 PolarHBondContact O-N 2.54Å; I203-L206 PolarHBondContact O-N 3.31Å; L206-G208 VanDerWaalsContact C-N 3.34Å; L206-D209 PolarHBondContact O-N 2.85Å; L206-F210 VanDerWaalsContact O-CB 3.28Å; L206-F210 WeakPolarHBondContact O-CB 3.36Å; L206-F210 PolarHBondContact O-N 2.94Å; L206-Y233 HydrophobicContact CD2-CD2 4.3Å; L206-Y233 HydrophobicContact CD2-CE2 4.06Å; L206-Y233 HydrophobicContact CG-CD2 4.15Å; L206-Y233 HydrophobicContact CG-CE2 3.89Å; L206-H236 VanDerWaalsContact CD1-ND1 3.29Å; L206-H236 WeakPolarHBondContact CD1-ND1 3.4Å; L206-H236 HydrophobicContact CD2-CB 4.24Å; L206-M237 HydrophobicContact CD2-CG 4.07Å; L206-M237 HydrophobicContact CD2-SD 3.8Å; L206-L240 HydrophobicContact CD2-CD1 3.74Å
207N93.1Very high92.4Very high59 Ų5973.4 Ų73.432%0.31638%0.38SS..Hα-helixtrans-65.5-38.6177.2-69.4-3.9000111.8I203 A205 V211 Y233I203-N207 WeakPolarHBondContact O-CB 3.35Å; I203-N207 PolarHBondContact O-N 2.87Å; I203-N207 PolarHBondContact O-OD1 3.33Å; A205-N207 VanDerWaalsContact C-N 3.32Å; A205-N207 PolarHBondContact O-N 2.99Å; N207-V211 WeakPolarHBondContact O-CB 3.23Å; N207-V211 WeakPolarHBondContact O-CG2 3.34Å; N207-V211 PolarHBondContact O-N 3.5Å; N207-Y233 WeakPolarHBondContact OD1-CE2 3.06Å; N207-Y233 PolarHBondContact OD1-OH 3.49Å
208G91.4Very high92.4Very high33 Ų3373.8 Ų73.834%0.3438%0.378SS..Hα-helixtrans-60-55.5174.100000111.4K204 A205 L206 F210 V211 E212K204-G208 PolarHBondContact O-N 2.61Å; A205-G208 PolarHBondContact O-N 3.3Å; A205-G208 VanDerWaalsContact O-N 3.11Å; L206-G208 VanDerWaalsContact C-N 3.34Å; G208-F210 VanDerWaalsContact C-N 3.29Å; G208-F210 PolarHBondContact O-N 2.88Å; G208-V211 PolarHBondContact O-N 3.43Å; G208-E212 WeakPolarHBondContact O-CG 3.47Å; G208-E212 PolarHBondContact O-N 2.75Å
209D92Very high92.4Very high106 Ų10675.8 Ų75.857%0.56739%0.387SS*.Hα-helixtrans-58.1-41.8-179.5-67.4-12.1000111.8A205 L206 H213A205-D209 PolarHBondContact O-N 3.01Å; L206-D209 PolarHBondContact O-N 2.85Å; D209-H213 VanDerWaalsContact O-CB 3.32Å; D209-H213 WeakPolarHBondContact O-CB 3.25Å; D209-H213 PolarHBondContact O-N 3.16Å
210F93Very high92.5Very high30 Ų3082 Ų8213%0.13242%0.42CS..Hα-helixtrans-68.7-41.4180-172.3-113.6000112.7L206 G208 H213 I214 N229 F230 Y233L206-F210 VanDerWaalsContact O-CB 3.28Å; L206-F210 WeakPolarHBondContact O-CB 3.36Å; L206-F210 PolarHBondContact O-N 2.94Å; G208-F210 VanDerWaalsContact C-N 3.29Å; G208-F210 PolarHBondContact O-N 2.88Å; F210-H213 PolarHBondContact O-N 3.08Å; F210-I214 HydrophobicContact CD1-CD1 3.73Å; F210-I214 HydrophobicContact CE1-CD1 3.27Å; F210-I214 HydrophobicContact CE1-CG1 4.24Å; F210-I214 HydrophobicContact CE2-CD1 4.3Å; F210-I214 HydrophobicContact CE2-CG1 4.49Å; F210-I214 HydrophobicContact CG-CD1 4.43Å; F210-I214 HydrophobicContact CZ-CD1 3.59Å; F210-I214 HydrophobicContact CZ-CG1 4.22Å; F210-I214 WeakPolarHBondContact O-CG1 3.42Å; F210-I214 PolarHBondContact O-N 2.93Å; F210-N229 HydrophobicContact CE2-CB 4.07Å; F210-N229 WeakPolarHBondContact CE2-O 3.34Å; F210-F230 AromaticContact CE1-CD1 3.71Å; F210-F230 HydrophobicContact CE1-CD1 3.71Å; F210-F230 AromaticContact CE1-CE1 3.54Å; F210-F230 HydrophobicContact CE1-CE1 3.54Å; F210-F230 HydrophobicContact CE1-CZ 4.39Å; F210-F230 AromaticContact CZ-CD1 3.56Å; F210-F230 HydrophobicContact CZ-CD1 3.56Å; F210-F230 AromaticContact CZ-CE1 3.75Å; F210-F230 HydrophobicContact CZ-CE1 3.75Å; F210-F230 HydrophobicContact CZ-CG 4.14Å; F210-F230 HydrophobicContact CZ-CZ 4.45Å; F210-Y233 HydrophobicContact CB-CD2 3.92Å; F210-Y233 HydrophobicContact CB-CE2 4.17Å; F210-Y233 AromaticContact CD1-CD2 3.83Å; F210-Y233 HydrophobicContact CD1-CD2 3.83Å; F210-Y233 HydrophobicContact CD1-CE2 4.15Å; F210-Y233 HydrophobicContact CD1-CG 4.19Å; F210-Y233 AromaticContact CD2-CD2 3.94Å; F210-Y233 HydrophobicContact CD2-CD2 3.94Å; F210-Y233 HydrophobicContact CD2-CG 4.26Å; F210-Y233 HydrophobicContact CE1-CD2 4.28Å; F210-Y233 HydrophobicContact CE1-CG 4.16Å; F210-Y233 HydrophobicContact CE2-CD2 4.4Å; F210-Y233 HydrophobicContact CE2-CG 4.26Å; F210-Y233 AromaticContact CG-CD2 3.63Å; F210-Y233 HydrophobicContact CG-CD2 3.63Å; F210-Y233 HydrophobicContact CG-CE2 4.18Å; F210-Y233 HydrophobicContact CG-CG 4.23Å; F210-Y233 HydrophobicContact CZ-CG 4.21Å
211V90.5Very high92.6Very high77 Ų7781.5 Ų81.547%0.46741%0.414SS..Hα-helixtrans-65-42.1176.2168.70000111N207 G208 H213 I214 R215N207-V211 WeakPolarHBondContact O-CB 3.23Å; N207-V211 WeakPolarHBondContact O-CG2 3.34Å; N207-V211 PolarHBondContact O-N 3.5Å; G208-V211 PolarHBondContact O-N 3.43Å; V211-H213 VanDerWaalsContact C-N 3.34Å; V211-I214 PolarHBondContact O-N 3.03Å; V211-R215 WeakPolarHBondContact O-CB 3.37Å; V211-R215 PolarHBondContact O-N 2.99Å
212E93.3Very high92.4Very high127 Ų12781.8 Ų81.859%0.59341%0.414SS*.Hα-helixtrans-62.7-42174.6-72.7-173.6-178.300111.9G208 R215 K216G208-E212 WeakPolarHBondContact O-CG 3.47Å; G208-E212 PolarHBondContact O-N 2.75Å; E212-R215 PolarHBondContact O-N 2.98Å; E212-K216 WeakPolarHBondContact O-CB 3.48Å; E212-K216 PolarHBondContact O-N 2.9Å
213H93Very high92.3Very high83 Ų8386.9 Ų86.938%0.38444%0.437SS..Hα-helixtrans-61.1-49.2175.6-176.678.7000112D209 F210 V211 R215 K216 C217 N229D209-H213 VanDerWaalsContact O-CB 3.32Å; D209-H213 WeakPolarHBondContact O-CB 3.25Å; D209-H213 PolarHBondContact O-N 3.16Å; F210-H213 PolarHBondContact O-N 3.08Å; V211-H213 VanDerWaalsContact C-N 3.34Å; H213-R215 VanDerWaalsContact C-N 3.32Å; H213-R215 PolarHBondContact O-N 3.11Å; H213-K216 PolarHBondContact O-N 3.33Å; H213-C217 WeakPolarHBondContact O-CB 3.2Å; H213-C217 PolarHBondContact O-N 3.06Å; H213-C217 PolarHBondContact O-SG 2.68Å; H213-C217 VanDerWaalsContact O-SG 3.4Å; H213-N229 PolarHBondContact CD2-ND2 3.25Å; H213-N229 PolarHBondContact NE2-ND2 3.23Å
214I91.9Very high92.2Very high42 Ų4288.1 Ų88.122%0.21544%0.443CS..Hα-helixtrans-58.7-45.6175.9-71.7173.9000110.5F210 V211 K216 C217 F218 F226 F230F210-I214 HydrophobicContact CD1-CD1 3.73Å; F210-I214 HydrophobicContact CE1-CD1 3.27Å; F210-I214 HydrophobicContact CE1-CG1 4.24Å; F210-I214 HydrophobicContact CE2-CD1 4.3Å; F210-I214 HydrophobicContact CE2-CG1 4.49Å; F210-I214 HydrophobicContact CG-CD1 4.43Å; F210-I214 HydrophobicContact CZ-CD1 3.59Å; F210-I214 HydrophobicContact CZ-CG1 4.22Å; F210-I214 WeakPolarHBondContact O-CG1 3.42Å; F210-I214 PolarHBondContact O-N 2.93Å; V211-I214 PolarHBondContact O-N 3.03Å; I214-K216 VanDerWaalsContact C-N 3.33Å; I214-K216 PolarHBondContact O-N 3.31Å; I214-C217 PolarHBondContact O-N 3.4Å; I214-F218 WeakPolarHBondContact O-CB 3.17Å; I214-F218 PolarHBondContact O-N 2.93Å; I214-F226 HydrophobicContact CB-CE1 4.3Å; I214-F226 HydrophobicContact CG1-CD1 4.12Å; I214-F226 HydrophobicContact CG1-CE1 4.15Å; I214-F226 HydrophobicContact CG2-CE1 4.08Å; I214-F226 HydrophobicContact CG2-CZ 4.15Å; I214-F230 HydrophobicContact CD1-CE1 4.18Å; I214-F230 HydrophobicContact CD1-CZ 3.97Å
215R90.7Very high92.2Very high128 Ų12887.3 Ų87.348%0.48345%0.445SS..Hα-helixtrans-58.9-45.2178.9-173.8-175.7-68.9157.3-2.7111.1V211 E212 H213 F218 Q219V211-R215 WeakPolarHBondContact O-CB 3.37Å; V211-R215 PolarHBondContact O-N 2.99Å; E212-R215 PolarHBondContact O-N 2.98Å; H213-R215 VanDerWaalsContact C-N 3.32Å; H213-R215 PolarHBondContact O-N 3.11Å; R215-F218 PolarHBondContact O-N 2.75Å; R215-Q219 WeakPolarHBondContact O-CG 3.32Å; R215-Q219 PolarHBondContact O-N 2.66Å
216K94.3Very high92.2Very high139 Ų13986 Ų8660%0.60443%0.429SS*.Hα-helixtrans-63.1-45.4177.2-173.3176.5-177.9176.10111.9E212 H213 I214 F218 Q219 L220E212-K216 WeakPolarHBondContact O-CB 3.48Å; E212-K216 PolarHBondContact O-N 2.9Å; H213-K216 PolarHBondContact O-N 3.33Å; I214-K216 VanDerWaalsContact C-N 3.33Å; I214-K216 PolarHBondContact O-N 3.31Å; K216-F218 PolarHBondContact O-N 3.05Å; K216-Q219 PolarHBondContact O-N 3.35Å; K216-L220 HydrophobicContact CG-CD1 4.45Å; K216-L220 WeakPolarHBondContact O-CG 3.4Å; K216-L220 PolarHBondContact O-N 2.98Å
217C92.1Very high92Very high20 Ų2091.4 Ų91.414%0.13545%0.452CS..Hα-helixtrans-61.3-43.5175.4-74.10000111.8H213 I214 Q219 L220 N221 I224 F226H213-C217 WeakPolarHBondContact O-CB 3.2Å; H213-C217 PolarHBondContact O-N 3.06Å; H213-C217 PolarHBondContact O-SG 2.68Å; H213-C217 VanDerWaalsContact O-SG 3.4Å; I214-C217 PolarHBondContact O-N 3.4Å; C217-Q219 VanDerWaalsContact C-N 3.34Å; C217-Q219 PolarHBondContact O-N 2.77Å; C217-L220 PolarHBondContact O-N 2.86Å; C217-L220 VanDerWaalsContact O-N 3.12Å; C217-N221 PolarHBondContact O-N 3.4Å; C217-I224 HydrophobicContact CB-CD1 3.97Å; C217-I224 WeakPolarHBondContact O-CD1 3.34Å; C217-F226 HydrophobicContact CB-CE1 3.47Å; C217-F226 VanDerWaalsContact CB-CE1 3.47Å; C217-F226 HydrophobicContact CB-CZ 3.73Å
218F90.7Very high92Very high119 Ų11991.8 Ų91.852%0.52246%0.457SS..Hα-helixtrans-65.6-35.9-179.6-158.4-95000112.7I214 R215 K216 L220 N221 P222 F226I214-F218 WeakPolarHBondContact O-CB 3.17Å; I214-F218 PolarHBondContact O-N 2.93Å; R215-F218 PolarHBondContact O-N 2.75Å; K216-F218 PolarHBondContact O-N 3.05Å; F218-L220 VanDerWaalsContact C-N 3.32Å; F218-N221 CarbonylContact O-C 3.6Å; F218-P222 HydrophobicContact CE1-CB 4.32Å; F218-P222 HydrophobicContact CE2-CB 4.34Å; F218-P222 HydrophobicContact CZ-CB 4.1Å; F218-F226 HydrophobicContact CD2-CE2 4.21Å; F218-F226 HydrophobicContact CD2-CZ 4.48Å
219Q92.1Very high92Very high153 Ų15392 Ų9272%0.71545%0.451SS*.Hα-helixtrans-65-35172.6-73.7175.50.900112.6R215 K216 C217R215-Q219 WeakPolarHBondContact O-CG 3.32Å; R215-Q219 PolarHBondContact O-N 2.66Å; K216-Q219 PolarHBondContact O-N 3.35Å; C217-Q219 VanDerWaalsContact C-N 3.34Å; C217-Q219 PolarHBondContact O-N 2.77Å
220L93.7Very high92Very high138 Ų13891.3 Ų91.372%0.72344%0.443SS*.Hα-helixtrans-77.6-42.5179.4-68.4171.6000112.3K216 C217 F218K216-L220 HydrophobicContact CG-CD1 4.45Å; K216-L220 WeakPolarHBondContact O-CG 3.4Å; K216-L220 PolarHBondContact O-N 2.98Å; C217-L220 PolarHBondContact O-N 2.86Å; C217-L220 VanDerWaalsContact O-N 3.12Å; F218-L220 VanDerWaalsContact C-N 3.32Å
221N92.3Very high92Very high72 Ų7293.6 Ų93.639%0.38546%0.457SS..  trans-155.7115176.9178-2.1000111.2C217 F218 F223 I224C217-N221 PolarHBondContact O-N 3.4Å; F218-N221 CarbonylContact O-C 3.6Å; N221-F223 PolarHBondContact O-N 3.39Å; N221-F223 VanDerWaalsContact O-N 3.16Å; N221-F223 PolarHBondContact OD1-N 3.28Å; N221-I224 HydrophobicContact CB-CD1 3.8Å; N221-I224 HydrophobicContact CB-CG1 3.71Å; N221-I224 WeakPolarHBondContact O-CG1 3.37Å; N221-I224 PolarHBondContact O-N 2.92Å
222P90.7Very high92.1Very high72 Ų7295 Ų9547%0.46846%0.462SS..THydrogen-bonded Turntrans-72.1-7.5-177.529.2-35.2000113.9F218F218-P222 HydrophobicContact CE1-CB 4.32Å; F218-P222 HydrophobicContact CE2-CB 4.34Å; F218-P222 HydrophobicContact CZ-CB 4.1Å
223F92.2Very high92Very high184 Ų18490.9 Ų90.981%0.80744%0.441SS*.THydrogen-bonded Turntrans-10617.2-179.7-56-72.9000113.1N221N221-F223 PolarHBondContact O-N 3.39Å; N221-F223 VanDerWaalsContact O-N 3.16Å; N221-F223 PolarHBondContact OD1-N 3.28Å
224I91Very high91.9Very high58 Ų5890.3 Ų90.330%0.29744%0.441SS..  trans-66.8133.6175.2-69.6170.8000110.1C217 N221 F226C217-I224 HydrophobicContact CB-CD1 3.97Å; C217-I224 WeakPolarHBondContact O-CD1 3.34Å; N221-I224 HydrophobicContact CB-CD1 3.8Å; N221-I224 HydrophobicContact CB-CG1 3.71Å; N221-I224 WeakPolarHBondContact O-CG1 3.37Å; N221-I224 PolarHBondContact O-N 2.92Å; I224-F226 HydrophobicContact CB-CE2 4.25Å; I224-F226 HydrophobicContact CB-CZ 4.27Å; I224-F226 HydrophobicContact CG2-CD1 4.4Å; I224-F226 HydrophobicContact CG2-CE1 4.26Å; I224-F226 HydrophobicContact CG2-CE2 4.41Å; I224-F226 HydrophobicContact CG2-CZ 4.27Å; I224-F226 WeakPolarHBondContact O-CD2 3.3Å; I224-F226 PolarHBondContact O-N 3.34Å
225N91.9Very high92Very high116 Ų11694.9 Ų94.962%0.6246%0.461SS*.  trans-79.1109.1167.91809.2000109.3K227N225-K227 VanDerWaalsContact C-N 3.31Å; N225-K227 PolarHBondContact O-N 3.42Å; N225-K227 VanDerWaalsContact OD1-CB 3.23Å; N225-K227 WeakPolarHBondContact OD1-CB 3.37Å; N225-K227 PolarHBondContact OD1-N 2.93Å
226F92.4Very high92.1Very high28 Ų2893.2 Ų93.212%0.12346%0.459CS..  trans-82.9-1.7-179.7-71.1-78.8000114.4I214 C217 F218 I224 P228 N229 F230I214-F226 HydrophobicContact CB-CE1 4.3Å; I214-F226 HydrophobicContact CG1-CD1 4.12Å; I214-F226 HydrophobicContact CG1-CE1 4.15Å; I214-F226 HydrophobicContact CG2-CE1 4.08Å; I214-F226 HydrophobicContact CG2-CZ 4.15Å; C217-F226 HydrophobicContact CB-CE1 3.47Å; C217-F226 VanDerWaalsContact CB-CE1 3.47Å; C217-F226 HydrophobicContact CB-CZ 3.73Å; F218-F226 HydrophobicContact CD2-CE2 4.21Å; F218-F226 HydrophobicContact CD2-CZ 4.48Å; I224-F226 HydrophobicContact CB-CE2 4.25Å; I224-F226 HydrophobicContact CB-CZ 4.27Å; I224-F226 HydrophobicContact CG2-CD1 4.4Å; I224-F226 HydrophobicContact CG2-CE1 4.26Å; I224-F226 HydrophobicContact CG2-CE2 4.41Å; I224-F226 HydrophobicContact CG2-CZ 4.27Å; I224-F226 WeakPolarHBondContact O-CD2 3.3Å; I224-F226 PolarHBondContact O-N 3.34Å; F226-P228 VanDerWaalsContact C-CD 3.49Å; F226-N229 PolarHBondContact O-N 2.84Å; F226-N229 VanDerWaalsContact O-N 3.08Å; F226-F230 HydrophobicContact CB-CD2 3.75Å; F226-F230 HydrophobicContact CB-CE2 3.5Å; F226-F230 HydrophobicContact CG-CE2 4.47Å; F226-F230 WeakPolarHBondContact O-CD2 3.49Å; F226-F230 PolarHBondContact O-N 2.92Å
227K90.9Very high91.9Very high135 Ų13587.1 Ų87.159%0.58743%0.432SS*.Hα-helixtrans-52.7-46.7-176.3-174174-179.7175.60113.4N225 N229 F230 D231N225-K227 VanDerWaalsContact C-N 3.31Å; N225-K227 PolarHBondContact O-N 3.42Å; N225-K227 VanDerWaalsContact OD1-CB 3.23Å; N225-K227 WeakPolarHBondContact OD1-CB 3.37Å; N225-K227 PolarHBondContact OD1-N 2.93Å; K227-N229 VanDerWaalsContact C-N 3.32Å; K227-N229 PolarHBondContact O-N 3.44Å; K227-F230 PolarHBondContact O-N 3.16Å; K227-D231 VanDerWaalsContact O-CG 3.28Å; K227-D231 PolarHBondContact O-N 2.77Å
228P92.6Very high91.9Very high67 Ų6792.6 Ų92.644%0.43545%0.454SS..Hα-helixtrans-60-41.1177.6-22.134.5000112.7F226 F230 D231 D232F226-P228 VanDerWaalsContact C-CD 3.49Å; P228-F230 VanDerWaalsContact C-N 3.34Å; P228-F230 PolarHBondContact O-N 2.78Å; P228-D231 PolarHBondContact O-N 3.42Å; P228-D232 PolarHBondContact O-N 2.71Å
229N91.6Very high92Very high38 Ų3890.1 Ų90.120%0.20345%0.451CS..Hα-helixtrans-66.6-36.3179.7-5549.9000111.9F210 H213 F226 K227 Y233F210-N229 HydrophobicContact CE2-CB 4.07Å; F210-N229 WeakPolarHBondContact CE2-O 3.34Å; H213-N229 PolarHBondContact CD2-ND2 3.25Å; H213-N229 PolarHBondContact NE2-ND2 3.23Å; F226-N229 PolarHBondContact O-N 2.84Å; F226-N229 VanDerWaalsContact O-N 3.08Å; K227-N229 VanDerWaalsContact C-N 3.32Å; K227-N229 PolarHBondContact O-N 3.44Å; N229-Y233 WeakPolarHBondContact O-CB 3.34Å; N229-Y233 PolarHBondContact O-N 3.18Å
230F92Very high92.1Very high92 Ų9283.3 Ų83.340%0.40442%0.42SS..Hα-helixtrans-68.4-37173.5-76.3-67.7000111.9F210 I214 F226 K227 P228 Y233 N234F210-F230 AromaticContact CE1-CD1 3.71Å; F210-F230 HydrophobicContact CE1-CD1 3.71Å; F210-F230 AromaticContact CE1-CE1 3.54Å; F210-F230 HydrophobicContact CE1-CE1 3.54Å; F210-F230 HydrophobicContact CE1-CZ 4.39Å; F210-F230 AromaticContact CZ-CD1 3.56Å; F210-F230 HydrophobicContact CZ-CD1 3.56Å; F210-F230 AromaticContact CZ-CE1 3.75Å; F210-F230 HydrophobicContact CZ-CE1 3.75Å; F210-F230 HydrophobicContact CZ-CG 4.14Å; F210-F230 HydrophobicContact CZ-CZ 4.45Å; I214-F230 HydrophobicContact CD1-CE1 4.18Å; I214-F230 HydrophobicContact CD1-CZ 3.97Å; F226-F230 HydrophobicContact CB-CD2 3.75Å; F226-F230 HydrophobicContact CB-CE2 3.5Å; F226-F230 HydrophobicContact CG-CE2 4.47Å; F226-F230 WeakPolarHBondContact O-CD2 3.49Å; F226-F230 PolarHBondContact O-N 2.92Å; K227-F230 PolarHBondContact O-N 3.16Å; P228-F230 VanDerWaalsContact C-N 3.34Å; P228-F230 PolarHBondContact O-N 2.78Å; F230-Y233 PolarHBondContact O-N 3.12Å; F230-N234 WeakPolarHBondContact O-CB 3.25Å; F230-N234 PolarHBondContact O-N 2.94Å; F230-N234 PolarHBondContact O-ND2 3.16Å
231D91.7Very high91.9Very high78 Ų7877.2 Ų77.242%0.41739%0.388SS..Hα-helixtrans-63.2-47.4175.4-64.7-26.4000110.2K227 P228 Y233 N234 E235K227-D231 VanDerWaalsContact O-CG 3.28Å; K227-D231 PolarHBondContact O-N 2.77Å; P228-D231 PolarHBondContact O-N 3.42Å; D231-Y233 PolarHBondContact O-N 2.93Å; D231-N234 WeakPolarHBondContact O-CB 3.36Å; D231-N234 PolarHBondContact O-N 3.15Å; D231-E235 PolarHBondContact O-N 2.69Å
232D92.5Very high91.9Very high107 Ų10781.6 Ų81.657%0.57241%0.406SS*.Hα-helixtrans-59.9-43175.1-69.3-10.5000112.4P228 N234 E235 H236P228-D232 PolarHBondContact O-N 2.71Å; D232-N234 VanDerWaalsContact C-N 3.35Å; D232-N234 PolarHBondContact O-N 3.15Å; D232-E235 PolarHBondContact O-N 2.9Å; D232-H236 PolarHBondContact O-N 2.91Å
233Y92.6Very high92Very high40 Ų4084 Ų8416%0.15741%0.41CS..Hα-helixtrans-62.4-42.1176.5171.4-89.9000111.6L206 N207 F210 N229 F230 D231 H236 M237L206-Y233 HydrophobicContact CD2-CD2 4.3Å; L206-Y233 HydrophobicContact CD2-CE2 4.06Å; L206-Y233 HydrophobicContact CG-CD2 4.15Å; L206-Y233 HydrophobicContact CG-CE2 3.89Å; N207-Y233 WeakPolarHBondContact OD1-CE2 3.06Å; N207-Y233 PolarHBondContact OD1-OH 3.49Å; F210-Y233 HydrophobicContact CB-CD2 3.92Å; F210-Y233 HydrophobicContact CB-CE2 4.17Å; F210-Y233 AromaticContact CD1-CD2 3.83Å; F210-Y233 HydrophobicContact CD1-CD2 3.83Å; F210-Y233 HydrophobicContact CD1-CE2 4.15Å; F210-Y233 HydrophobicContact CD1-CG 4.19Å; F210-Y233 AromaticContact CD2-CD2 3.94Å; F210-Y233 HydrophobicContact CD2-CD2 3.94Å; F210-Y233 HydrophobicContact CD2-CG 4.26Å; F210-Y233 HydrophobicContact CE1-CD2 4.28Å; F210-Y233 HydrophobicContact CE1-CG 4.16Å; F210-Y233 HydrophobicContact CE2-CD2 4.4Å; F210-Y233 HydrophobicContact CE2-CG 4.26Å; F210-Y233 AromaticContact CG-CD2 3.63Å; F210-Y233 HydrophobicContact CG-CD2 3.63Å; F210-Y233 HydrophobicContact CG-CE2 4.18Å; F210-Y233 HydrophobicContact CG-CG 4.23Å; F210-Y233 HydrophobicContact CZ-CG 4.21Å; N229-Y233 WeakPolarHBondContact O-CB 3.34Å; N229-Y233 PolarHBondContact O-N 3.18Å; F230-Y233 PolarHBondContact O-N 3.12Å; D231-Y233 PolarHBondContact O-N 2.93Å; Y233-H236 PolarHBondContact O-N 2.92Å; Y233-M237 HydrophobicContact CD1-CG 4.25Å; Y233-M237 HydrophobicContact CE1-CG 3.73Å; Y233-M237 HydrophobicContact CE2-CG 4.25Å; Y233-M237 WeakPolarHBondContact O-CB 3.42Å; Y233-M237 WeakPolarHBondContact O-CG 3.35Å; Y233-M237 PolarHBondContact O-N 3.41Å
234N90.7Very high92Very high71 Ų7176.1 Ų76.138%0.3838%0.376SS..Hα-helixtrans-65.2-38.6177.1-72.4-31.6000111.9F230 D231 D232 M237 K238F230-N234 WeakPolarHBondContact O-CB 3.25Å; F230-N234 PolarHBondContact O-N 2.94Å; F230-N234 PolarHBondContact O-ND2 3.16Å; D231-N234 WeakPolarHBondContact O-CB 3.36Å; D231-N234 PolarHBondContact O-N 3.15Å; D232-N234 VanDerWaalsContact C-N 3.35Å; D232-N234 PolarHBondContact O-N 3.15Å; N234-M237 PolarHBondContact O-N 2.71Å; N234-K238 WeakPolarHBondContact O-CG 3.47Å; N234-K238 PolarHBondContact O-N 3.13Å; N234-K238 VanDerWaalsContact O-N 3.07Å
235E92.9Very high91.9Very high138 Ų13876.1 Ų76.165%0.64539%0.39SS*.Hα-helixtrans-63.8-43.2173.4-71.5-165.9167.100111.9D231 D232 M237 K238 S239D231-E235 PolarHBondContact O-N 2.69Å; D232-E235 PolarHBondContact O-N 2.9Å; E235-M237 PolarHBondContact O-N 3.43Å; E235-K238 PolarHBondContact O-N 3.03Å; E235-S239 PolarHBondContact O-N 3.35Å
236H92.7Very high91.6Very high93 Ų9372.2 Ų72.243%0.43137%0.369SS..Hα-helixtrans-65.1-40178-163.4177.9000111.9L206 D232 Y233 K238 S239 L240L206-H236 VanDerWaalsContact CD1-ND1 3.29Å; L206-H236 WeakPolarHBondContact CD1-ND1 3.4Å; L206-H236 HydrophobicContact CD2-CB 4.24Å; D232-H236 PolarHBondContact O-N 2.91Å; Y233-H236 PolarHBondContact O-N 2.92Å; H236-K238 PolarHBondContact O-N 2.71Å; H236-S239 WeakPolarHBondContact O-CB 3.43Å; H236-S239 PolarHBondContact O-N 3.31Å; H236-L240 WeakPolarHBondContact O-CG 3.26Å; H236-L240 PolarHBondContact O-N 2.69Å
237M91.1Very high91Very high10 Ų1076.6 Ų76.65%0.04940%0.398CS..Hα-helixtrans-60.7-43.2173.9-80.1-63.9-61.100112.4I203 L206 Y233 N234 E235 L240 Q241 W253I203-M237 HydrophobicContact CD1-CE 3.75Å; I203-M237 HydrophobicContact CD1-SD 4.48Å; I203-M237 HydrophobicContact CG1-CE 3.94Å; I203-M237 HydrophobicContact CG1-SD 4.01Å; I203-M237 HydrophobicContact CG2-CE 4.4Å; I203-M237 HydrophobicContact CG2-SD 4.43Å; L206-M237 HydrophobicContact CD2-CG 4.07Å; L206-M237 HydrophobicContact CD2-SD 3.8Å; Y233-M237 HydrophobicContact CD1-CG 4.25Å; Y233-M237 HydrophobicContact CE1-CG 3.73Å; Y233-M237 HydrophobicContact CE2-CG 4.25Å; Y233-M237 WeakPolarHBondContact O-CB 3.42Å; Y233-M237 WeakPolarHBondContact O-CG 3.35Å; Y233-M237 PolarHBondContact O-N 3.41Å; N234-M237 PolarHBondContact O-N 2.71Å; E235-M237 PolarHBondContact O-N 3.43Å; M237-L240 PolarHBondContact O-N 3.1Å; M237-Q241 WeakPolarHBondContact O-CG 3.39Å; M237-Q241 PolarHBondContact O-N 3.04Å; M237-W253 HydrophobicContact CB-CH2 3.92Å; M237-W253 HydrophobicContact CE-CH2 3.88Å; M237-W253 HydrophobicContact CE-CZ3 4.29Å; M237-W253 HydrophobicContact CG-CH2 4.37Å
238K91.1Very high89.8Confident135 Ų13575.7 Ų75.759%0.58740%0.4SS*.Hα-helixtrans-62.9-41.5174.2-72.7175-179.4-179.60112N234 E235 H236 L240 Q241 Q242N234-K238 WeakPolarHBondContact O-CG 3.47Å; N234-K238 PolarHBondContact O-N 3.13Å; N234-K238 VanDerWaalsContact O-N 3.07Å; E235-K238 PolarHBondContact O-N 3.03Å; H236-K238 PolarHBondContact O-N 2.71Å; K238-L240 VanDerWaalsContact C-N 3.33Å; K238-L240 PolarHBondContact O-N 3.44Å; K238-Q241 PolarHBondContact O-N 3.38Å; K238-Q242 PolarHBondContact O-N 2.89Å
239S93.5Very high88.5Confident68 Ų6878.2 Ų78.248%0.47641%0.41SS..Hα-helixtrans-61.3-41.2176-172.80000111.9E235 H236 Q242 E243E235-S239 PolarHBondContact O-N 3.35Å; H236-S239 WeakPolarHBondContact O-CB 3.43Å; H236-S239 PolarHBondContact O-N 3.31Å; S239-Q242 PolarHBondContact O-N 3.3Å; S239-E243 WeakPolarHBondContact O-CB 3.26Å; S239-E243 PolarHBondContact O-N 3.26Å
240L93.2Very high87.1Confident10 Ų1081 Ų815%0.05243%0.425CS..Hα-helixtrans-66.3-39.6176.7-76.3174.5000112.2F199 K202 L206 H236 M237 K238 E243 H244F199-L240 HydrophobicContact CE2-CB 4.26Å; K202-L240 HydrophobicContact CB-CD1 4.48Å; K202-L240 HydrophobicContact CB-CD2 4.16Å; K202-L240 HydrophobicContact CD-CD2 3.84Å; L206-L240 HydrophobicContact CD2-CD1 3.74Å; H236-L240 WeakPolarHBondContact O-CG 3.26Å; H236-L240 PolarHBondContact O-N 2.69Å; M237-L240 PolarHBondContact O-N 3.1Å; K238-L240 VanDerWaalsContact C-N 3.33Å; K238-L240 PolarHBondContact O-N 3.44Å; L240-E243 PolarHBondContact O-N 3.28Å; L240-H244 PolarHBondContact O-N 2.98Å; L240-H244 PolarHBondContact O-ND1 2.98Å
241Q90.5Very high85.9Confident10 Ų1081.6 Ų81.65%0.04744%0.44CS..Hα-helixtrans-62-46.4175.5-78172.5-25.800111.5F199 M237 K238 E243 H244 G245 I246 W253F199-Q241 HydrophobicContact CE2-CG 3.96Å; F199-Q241 HydrophobicContact CZ-CG 3.79Å; M237-Q241 WeakPolarHBondContact O-CG 3.39Å; M237-Q241 PolarHBondContact O-N 3.04Å; K238-Q241 PolarHBondContact O-N 3.38Å; Q241-E243 PolarHBondContact O-N 3.18Å; Q241-H244 PolarHBondContact O-N 3.48Å; Q241-G245 PolarHBondContact O-N 3.32Å; Q241-I246 PolarHBondContact O-N 2.64Å; Q241-W253 VanDerWaalsContact NE2-NE1 3.18Å
242Q92Very high84.6Confident163 Ų16382.9 Ų82.976%0.76245%0.447SS*.Hα-helixtrans-62-42176.2-169.9177.37.200112K238 S239 H244 G245K238-Q242 PolarHBondContact O-N 2.89Å; S239-Q242 PolarHBondContact O-N 3.3Å; Q242-H244 VanDerWaalsContact C-N 3.3Å; Q242-H244 PolarHBondContact O-N 2.81Å; Q242-G245 PolarHBondContact O-N 3.16Å
243E93.7Very high83.3Confident122 Ų12282.2 Ų82.257%0.5744%0.436SS*.Hα-helixtrans-59.9-37.5178.5-169.2-166.717400112.4K202 S239 L240 Q241K202-E243 IonicContact NZ-OE1 2.92Å; K202-E243 PolarHBondContact NZ-OE1 2.98Å; K202-E243 IonicContact NZ-OE2 2.96Å; K202-E243 PolarHBondContact NZ-OE2 2.71Å; S239-E243 WeakPolarHBondContact O-CB 3.26Å; S239-E243 PolarHBondContact O-N 3.26Å; L240-E243 PolarHBondContact O-N 3.28Å; Q241-E243 PolarHBondContact O-N 3.18Å
244H92.1Very high81.7Confident20 Ų2088 Ų889%0.09347%0.468CS..Hα-helixtrans-95.22.7-176.5-60.675.2000113.5F199 K202 L240 Q241 Q242 I246F199-H244 HydrophobicContact CB-CB 4.24Å; F199-H244 HydrophobicContact CD2-CB 4.01Å; F199-H244 AromaticContact CD2-CG 3.76Å; F199-H244 AromaticContact CD2-ND1 3.66Å; F199-H244 HydrophobicContact CG-CB 4.39Å; K202-H244 VanDerWaalsContact CD-CE1 3.44Å; K202-H244 WeakPolarHBondContact CD-CE1 3.48Å; K202-H244 PolarHBondContact NZ-CE1 3.07Å; K202-H244 PolarHBondContact NZ-NE2 2.54Å; L240-H244 PolarHBondContact O-N 2.98Å; L240-H244 PolarHBondContact O-ND1 2.98Å; Q241-H244 PolarHBondContact O-N 3.48Å; Q242-H244 VanDerWaalsContact C-N 3.3Å; Q242-H244 PolarHBondContact O-N 2.81Å; H244-I246 HydrophobicContact CB-CD1 4.13Å; H244-I246 HydrophobicContact CB-CG1 4.24Å; H244-I246 PolarHBondContact O-N 2.86Å
245G89.4Confident80.2Confident57 Ų5790.4 Ų90.459%0.58848%0.475SS*.THydrogen-bonded Turntrans68.421.4-178.400000113.6Q241 Q242 T247Q241-G245 PolarHBondContact O-N 3.32Å; Q242-G245 PolarHBondContact O-N 3.16Å; G245-T247 PolarHBondContact O-N 3.42Å; G245-T247 VanDerWaalsContact O-N 3.16Å
246I84.8Confident78.6Confident34 Ų3489.3 Ų89.317%0.17448%0.48CS..  trans-85.589.4174.9-61.1171.1000105.5F199 Q241 H244 L252F199-I246 HydrophobicContact CB-CD1 4.09Å; F199-I246 HydrophobicContact CD1-CD1 3.19Å; F199-I246 HydrophobicContact CD2-CD1 3.75Å; F199-I246 HydrophobicContact CE1-CD1 3.27Å; F199-I246 HydrophobicContact CE2-CD1 3.83Å; F199-I246 HydrophobicContact CG-CD1 3.4Å; F199-I246 VanDerWaalsContact CG-CD1 3.4Å; F199-I246 HydrophobicContact CZ-CD1 3.57Å; Q241-I246 PolarHBondContact O-N 2.64Å; H244-I246 HydrophobicContact CB-CD1 4.13Å; H244-I246 HydrophobicContact CB-CG1 4.24Å; H244-I246 PolarHBondContact O-N 2.86Å; I246-L252 HydrophobicContact CG2-CD1 3.63Å
247T78.8Confident76.8Confident120 Ų12092.1 Ų92.174%0.73649%0.493SS*.  trans-67.6147.2173.2-45.50000107.8G245 D249G245-T247 PolarHBondContact O-N 3.42Å; G245-T247 VanDerWaalsContact O-N 3.16Å; T247-D249 PolarHBondContact O-N 2.87Å
248D65.8Low74.8Confident116 Ų11696.8 Ų96.862%0.6252%0.523SS*.  trans-46.460.1-172.2-72-44.4000116.4D250D248-D250 PolarHBondContact O-N 3.24Å
249D65.2Low72.9Confident120 Ų12098 Ų9864%0.64253%0.534SS*.  trans-72.794.6163.5-85.6-23.2000105.3T247 S251 L252T247-D249 PolarHBondContact O-N 2.87Å; D249-S251 PolarHBondContact O-N 3.03Å; D249-L252 PolarHBondContact O-N 3.3Å
250D63.3Low70.9Confident97 Ų97100.4 Ų100.452%0.51955%0.547SS..THydrogen-bonded Turntrans-29.4-14157.4-107.921.4000116D248 K255D248-D250 PolarHBondContact O-N 3.24Å; D250-K255 WeakPolarHBondContact O-CE 3.27Å; D250-K255 WeakPolarHBondContact OD2-CE 3.44Å; D250-K255 IonicContact OD2-NZ 3.98Å; D250-K255 PolarHBondContact OD2-NZ 3.04Å
251S65.9Low69.1Low104 Ų104107.9 Ų107.973%0.72758%0.579SS**THydrogen-bonded Turntrans-69.3-37.1174.3178.70000113.9D249D249-S251 PolarHBondContact O-N 3.03Å
252L65.1Low67.3Low106 Ų106115.7 Ų115.756%0.55562%0.615SS**SBendtrans-84.7-23.4-174.1-70.2176.5000113.4F199 I246 D249 I254F199-L252 HydrophobicContact CE1-CD1 4.39Å; I246-L252 HydrophobicContact CG2-CD1 3.63Å; D249-L252 PolarHBondContact O-N 3.3Å; L252-I254 PolarHBondContact O-N 3.3Å
253W64.2Low65.2Low92 Ų92112 Ų11235%0.34861%0.612SS.*SBendtrans-74.8126.6170.1-62.699.7000107.4M237 Q241 K255M237-W253 HydrophobicContact CB-CH2 3.92Å; M237-W253 HydrophobicContact CE-CH2 3.88Å; M237-W253 HydrophobicContact CE-CZ3 4.29Å; M237-W253 HydrophobicContact CG-CH2 4.37Å; Q241-W253 VanDerWaalsContact NE2-NE1 3.18Å; W253-K255 PolarHBondContact O-N 2.86Å
254I59.2Low62.9Low163 Ų163111.7 Ų111.784%0.83662%0.619SS**  trans-59.193.6160-58.2170.3000103.9L252L252-I254 PolarHBondContact O-N 3.3Å
255K60.6Low61Low120 Ų120116.9 Ų116.952%0.52265%0.652SS.*  trans-47.8122.7172.8-69.3-168.6174-159.70103.7D250 W253 E257D250-K255 WeakPolarHBondContact O-CE 3.27Å; D250-K255 WeakPolarHBondContact OD2-CE 3.44Å; D250-K255 IonicContact OD2-NZ 3.98Å; D250-K255 PolarHBondContact OD2-NZ 3.04Å; W253-K255 PolarHBondContact O-N 2.86Å; K255-E257 PolarHBondContact O-N 3.47Å
256P57.8Low58.8Low115 Ų115117 Ų11775%0.74765%0.653SS**  trans-56.7101.1178.522.7-31.1000103.7T258P256-T258 PolarHBondContact O-N 3.06Å
257E55.5Low57Low152 Ų152126.7 Ų126.771%0.7169%0.688SS**  trans-54.4115.2-175.2-172.1-178.417800102K255 L259K255-E257 PolarHBondContact O-N 3.47Å; E257-L259 PolarHBondContact O-N 2.96Å
258T49.5Very low55.7Low109 Ų109131.4 Ų131.467%0.66969%0.692SS**  trans-59.696.9-171.445.10000105P256 T260P256-T258 PolarHBondContact O-N 3.06Å; T258-T260 PolarHBondContact O-N 3.08Å; T258-T260 PolarHBondContact O-OG1 3.21Å
259L51Low55.3Low159 Ų159131.2 Ų131.283%0.83270%0.697SS**  trans-72.851.3172.6-80.4163.5000106.9E257 K261E257-L259 PolarHBondContact O-N 2.96Å; L259-K261 VanDerWaalsContact C-N 3.3Å
260T50.3Low54.6Low119 Ų119135.7 Ų135.773%0.7371%0.711SS**  trans-95.411.8160.8440000110.3T258 E262T258-T260 PolarHBondContact O-N 3.08Å; T258-T260 PolarHBondContact O-OG1 3.21Å; T260-E262 PolarHBondContact O-N 2.89Å
261K56.9Low53.9Low167 Ų167134.6 Ų134.673%0.72672%0.716SS**SBendtrans-66100.4145-76.4178.6-177.2165.70105.4L259 A263L259-K261 VanDerWaalsContact C-N 3.3Å; K261-A263 PolarHBondContact O-N 3.28Å
262E52.5Low53.1Low175 Ų175138.6 Ų138.682%0.81872%0.723SS**  trans-47.287.7153.1-72.7-167149.100107.1T260 T264T260-E262 PolarHBondContact O-N 2.89Å; E262-T264 PolarHBondContact O-N 3.35Å
263A48.3Very low52.2Low84 Ų84139.5 Ų139.569%0.69473%0.733SS**  trans-61.590.6148.200000102.5K261 V265K261-A263 PolarHBondContact O-N 3.28Å; A263-V265 PolarHBondContact O-N 2.82Å
264T45.2Very low51.7Low117 Ų117141.7 Ų141.772%0.71876%0.756SS**  trans-44.998156.2-67.70000103.3E262 G266E262-T264 PolarHBondContact O-N 3.35Å; T264-G266 PolarHBondContact O-N 2.85Å
265V51.3Low51.1Low128 Ų128139 Ų13978%0.77675%0.752SS**  trans-58.598.1167.7170.40000101.5A263 R267A263-V265 PolarHBondContact O-N 2.82Å; V265-R267 PolarHBondContact O-N 3.29Å
266G43.1Very low50.5Low60 Ų60144.3 Ų144.362%0.61977%0.769SS**  trans-52.4100.9173.200000104.3T264 R268T264-G266 PolarHBondContact O-N 2.85Å; G266-R268 PolarHBondContact O-N 2.93Å
267R46.4Very low50Low237 Ų237143.8 Ų143.889%0.89477%0.774SS**  trans-62.689.6176.2-166.5-177.5-167.3-142.44.5103.5V265 P269V265-R267 PolarHBondContact O-N 3.29Å; R267-P269 VanDerWaalsContact O-CD 3.25Å; R267-P269 WeakPolarHBondContact O-CD 3.48Å
268R53Low49.8Very low219 Ų219141.1 Ų141.183%0.82678%0.778SS**  trans-52.2115.8176.2-143.2-178.1-162.5-175.35.1104.4G266 F270G266-R268 PolarHBondContact O-N 2.93Å; R268-F270 PolarHBondContact O-N 3.46Å
269P56Low49.9Very low112 Ų112141.5 Ų141.573%0.72779%0.785SS**  trans-62.4109.1176.623.5-29.3000106.3R267 A271R267-P269 VanDerWaalsContact O-CD 3.25Å; R267-P269 WeakPolarHBondContact O-CD 3.48Å; P269-A271 PolarHBondContact O-N 3.14Å
270F51.7Low49.7Very low214 Ų214143.5 Ų143.594%0.93979%0.787SS**  trans-68.776.6158.5-94.8-88.5000106.5R268R268-F270 PolarHBondContact O-N 3.46Å
271A48Very low50.1Low75 Ų75149.5 Ų149.562%0.6280%0.796SS**  trans-156.876.6172.800000108P269P269-A271 PolarHBondContact O-N 3.14Å
272E48.8Very low49.7Very low187 Ų187146.9 Ų146.987%0.87480%0.799SS**  trans-142.685.6144-142163.9-168.800109.1V274E272-V274 PolarHBondContact O-N 3.12Å; E272-V274 VanDerWaalsContact O-N 3.08Å
273T47.9Very low49.9Very low126 Ų126150.3 Ų150.377%0.77381%0.805SS**  trans-35.2107.5157.2-48.60000109.6S275T273-S275 PolarHBondContact O-N 3.2Å
274V52.5Low50.1Low137 Ų137151.9 Ų151.983%0.8381%0.806SS**  trans-62.995.4164177.50000106.6E272 R276E272-V274 PolarHBondContact O-N 3.12Å; E272-V274 VanDerWaalsContact O-N 3.08Å; V274-R276 VanDerWaalsContact C-N 3.34Å; V274-R276 PolarHBondContact O-N 2.91Å
275S47.7Very low50.1Low108 Ų108153.6 Ų153.676%0.75581%0.811SS**  trans-6196.8168.943.20000108.4T273 A277T273-S275 PolarHBondContact O-N 3.2Å; S275-A277 PolarHBondContact O-N 3.25Å
276R46.6Very low50.2Low231 Ų231152 Ų15287%0.87281%0.811SS**  trans-55.4114.7163.6-177.4175.3179.5176-0.5107.9V274 A278V274-R276 VanDerWaalsContact C-N 3.34Å; V274-R276 PolarHBondContact O-N 2.91Å; R276-A278 PolarHBondContact O-N 3.45Å
277A47.7Very low50.6Low104 Ų104154 Ų15486%0.8682%0.815SS**  trans-54.1100.2173.600000110S275S275-A277 PolarHBondContact O-N 3.25Å
278A51.2Low50.6Low95 Ų95151.5 Ų151.579%0.78581%0.811SS**  trans-85.1124.917200000108.7R276R276-A278 PolarHBondContact O-N 3.45Å
279S52.4Low50.5Low118 Ų118146.5 Ų146.583%0.82581%0.805SS**  trans-52.5133.1179.4-172.20000112.6R281S279-R281 PolarHBondContact O-N 3.19Å
280K46.4Very low50.2Low201 Ų201146.7 Ų146.787%0.87481%0.806SS**  trans-55.3114173.8-63.3172.8177.3179.10110.8
281R58Low49.9Very low244 Ų244143.4 Ų143.492%0.92180%0.803SS**  trans-141.9115.8147.8-80.6-163.8170.7167.5-3.5111S279S279-R281 PolarHBondContact O-N 3.19Å
282S48.8Very low49.8Very low112 Ų112144.3 Ų144.378%0.78381%0.811SS**  trans-54.6137.317053.40000113.5
283R56.1Low49.6Very low248 Ų248140.1 Ų140.194%0.93681%0.809SS**  -174.6138.2120.2-111.1176.1169.2176.1-4.6111.1
284T52.8Low49.4Very low116 Ų116139.4 Ų139.471%0.71281%0.809SS**  trans-84.5151-17331.10000113.4
285D47Very low49.2Very low154 Ų154136.7 Ų136.782%0.82480%0.8SS**  trans62.4110.9138.9-55.8-26.6000122.1
286A53.2Low49.1Very low95 Ų95138.4 Ų138.479%0.78581%0.806SS**  172.2105.9124.200000107.8
287S50Low49.2Very low100 Ų100132.1 Ų132.170%0.69980%0.803SS**  48.8105.985.9-171.90000114.3
288F46.4Very low49.3Very low186 Ų186136.9 Ų136.982%0.81681%0.805SS**  -178.7115.8115.6-114-96.3000112.9
289V51.7Low49Very low114 Ų114140.8 Ų140.869%0.69181%0.807SS**  trans31.6132.4140.2-1690000122.1
290P49Very low48.8Very low115 Ų115143.5 Ų143.575%0.74781%0.806SS**  trans-99.7154.4167.238.3-29.6000112.6
291T46.7Very low48.8Very low145 Ų145138.9 Ų138.989%0.8981%0.805SS**  trans-156.5144.9155.9-67.20000111.9
292A45.9Very low48.2Very low94 Ų94130.1 Ų130.178%0.77779%0.792SS**  trans-81.5176.3-16500000117.1
293A44.8Very low48Very low100 Ų100131.2 Ų131.283%0.82679%0.794SS**  trans126.8147.1154.100000110
294S43.9Very low47.7Very low111 Ų111125.8 Ų125.878%0.77679%0.787SS**  cis177.8150.7-12.8176.40000104.3
295A46.6Very low47.3Very low79 Ų79125 Ų12565%0.65379%0.787SS**  trans78.1115.1150.800000122.1
296V46.6Very low47.3Very low144 Ų144122.4 Ų122.487%0.87378%0.781SS**  64.7112.9120.4-174.70000118.7
297A47.7Very low46.8Very low99 Ų99126.2 Ų126.282%0.81878%0.782SS**  -173.5140.8116.900000112
298K50.7Low46.6Very low204 Ų204131.7 Ų131.789%0.88779%0.788SS**  trans-71.8175.9173.3-87.6172.1168.3174.20111.8
299E45.4Very low46.8Very low177 Ų177132.4 Ų132.483%0.82779%0.791SS**  trans115.493.3148.9-151.4169-174.600112.9
300Q47.4Very low46.7Very low176 Ų176133.8 Ų133.882%0.82279%0.79SS**  76127.990.4-81.3-155.59.500116
301A47.1Very low46.8Very low103 Ų103137.4 Ų137.485%0.85180%0.799SS**  trans78.3137.8141.100000121
302G44.6Very low46.7Very low61 Ų61138.4 Ų138.463%0.62979%0.793SS**  trans111.186.8158.700000113.8
303T45.4Very low46.7Very low135 Ų135137.9 Ų137.983%0.82880%0.797SS**  53.9147.190.758.30000117
304V48.2Very low46.7Very low133 Ų133138.8 Ų138.881%0.80680%0.797SS**  trans94.598.5161.8-160.40000113.5
305S46.2Very low46.8Very low99 Ų99136.7 Ų136.769%0.69279%0.793SS**  86.3133.873.1-162.80000113.6
306S46.5Very low46.8Very low101 Ų101140.2 Ų140.271%0.70680%0.8SS**  trans68.5120156.5-53.50000117.4
307E43Very low46.9Very low174 Ų174143.7 Ų143.781%0.81380%0.804SS**  165.8120.986.7-160.3164.4125.700112
308R45.1Very low46.9Very low215 Ų215147.8 Ų147.881%0.81181%0.806SS**  trans-27.8133.6158.9-168.3-178.6-165.4179.13.6115.8
309K50.2Low46.8Very low202 Ų202143.5 Ų143.588%0.87880%0.799SS**  trans-160.1120.7137.3-109.7162.5-170.61750113.2
310Q49.3Very low46.8Very low143 Ų143139.5 Ų139.567%0.66880%0.796SS**  trans-57.9147.2163.9-71.6163.8-67.100111
311M52.3Low46.5Very low190 Ų190139.9 Ų139.994%0.93680%0.798SS**  trans-146.4130140.8-88.8-66.5-156.100109.3
312H43.7Very low46.5Very low166 Ų166140.4 Ų140.477%0.76980%0.795SS**  trans-67.4155.8178.1-74.2-102.7000112.5
313G45.5Very low46.5Very low83 Ų83144.1 Ų144.186%0.85680%0.8SS**  trans-167.377.7169.700000111.9
314S46Very low46.4Very low119 Ų119142.9 Ų142.983%0.83280%0.797SS**  trans-77.4147.1175.244.50000113.3
315G45Very low46.2Very low68 Ų68145.5 Ų145.570%0.70180%0.797SS**  trans-179.286.9161.700000109.9
316L47.6Very low46.1Very low153 Ų153145 Ų14580%0.80179%0.794SS**  48107.291-83.5159.2000112.8
317F47.2Very low46Very low216 Ų216146.7 Ų146.795%0.94779%0.794SS**  -171.2131.8118.3-104.1-78.3000110.1
318Q48.3Very low46Very low185 Ų185147 Ų14786%0.86479%0.792SS**  trans-101.6-179.1-166.4-110-154.1-11.600112.4
319P48.2Very low45.8Very low114 Ų114144.2 Ų144.274%0.7479%0.793SS**  trans-101.6168.6-155.940.7-35.9000115.5
320A45.2Very low45.4Very low93 Ų93141.5 Ų141.577%0.76979%0.794SS**  trans-149.8117.3162.800000108.1
321Q42.4Very low44.9Very low185 Ų185140.5 Ų140.586%0.86480%0.797SS**  55.9110.278.3-67.7-153.28.300115.5
322S46.8Very low44.4Very low113 Ų113140.1 Ų140.179%0.7979%0.793SS**  trans-18099.1146.4-173.10000107.7
323L43.6Very low44.2Very low140 Ų140136 Ų13673%0.73379%0.788SS**  48.1110.979-67.8179.4000115.3
324S43.8Very low44.4Very low108 Ų108138.7 Ų138.776%0.75579%0.788SS**  trans175.5113.4133.1-75.20000108.3
325K45Very low44.3Very low188 Ų188143.5 Ų143.582%0.81779%0.788SS**  54.713080.5-65.6-179.1-178.5178.60110.5
326S43Very low44.9Very low90 Ų90145.5 Ų145.563%0.62979%0.791SS**  cis168.4176.912.241.40000106.2
327I45.4Very low44.9Very low136 Ų136146.8 Ų146.870%0.69779%0.793SS**  trans100.7100.4152-61156.4000116.2
328K43.5Very low45.1Very low179 Ų179148.1 Ų148.178%0.77879%0.792SS**  89.6111.699.4-70.2-175.4-166.1175.30112.5
329L39.3Very low44.9Very low157 Ų157148.2 Ų148.282%0.82279%0.792SS**  53.8112.689.5-80167.2000112.9
330T43Very low45.4Very low146 Ų146149.3 Ų149.390%0.89680%0.796SS**  -176.3141125.939.30000112.8
331T39Very low45.3Very low122 Ų122148.4 Ų148.475%0.74880%0.796SS**  trans-75.5179.8176.340.30000114
332E40.5Very low45.9Very low181 Ų181144.8 Ų144.885%0.84679%0.791SS**  trans83.1113160.1-72.6-174.9142.300117.2
333A40.7Very low45.9Very low81 Ų81147.8 Ų147.867%0.66979%0.793SS**  87.7116.275.700000112.1
334T48Very low46.2Very low138 Ų138149.1 Ų149.185%0.84779%0.793SS**  trans161.4115147.734.40000108.4
335R45.3Very low46.4Very low221 Ų221153.1 Ų153.183%0.83480%0.797SS**  86.910975.2-162.1-179.8-170.2169.93.9112.7
336S57.2Low46.9Very low109 Ų109153 Ų15376%0.76280%0.796SS**  trans171.7103.8137.744.40000107.9
337E46.5Very low47.2Very low180 Ų180153.4 Ų153.484%0.84180%0.799SS**  49.89588.4-84.6-177.8161.300113.8
338R52.7Low47Very low245 Ų245151.2 Ų151.293%0.92580%0.802SS**  trans-147.593.4141.6-138177.7-158.7178.25.6111.8
339E44.3Very low47.3Very low187 Ų187152 Ų15287%0.87481%0.806SS**  trans-39.5119.4152.4-172.2178.8-149.500112.9
340V59Low47.4Very low136 Ų136150.4 Ų150.482%0.82480%0.803SS**  trans-147.5113.6145.7-164.90000107.6
341G42.8Very low48.2Very low74 Ų74153 Ų15376%0.76380%0.801SS**  trans-70.8151.4-179.700000113.4
342S53.6Low48.6Very low109 Ų109154 Ų15476%0.76280%0.802SS**  trans-149.6116.5151.9-168.70000109.1
343Q48.4Very low49Very low176 Ų176150.9 Ų150.982%0.82280%0.801SS**  trans-73.5120.9177.9-61.7-1799.700109.1
344F49Very low49.5Very low169 Ų169152.2 Ų152.274%0.74181%0.805SS**  trans-128.898.7155.1-104-86.6000109.3F346F344-F346 HydrophobicContact CD1-CD2 4.34Å; F344-F346 AromaticContact CD1-CE2 3.66Å; F344-F346 HydrophobicContact CD1-CE2 3.66Å; F344-F346 HydrophobicContact CD1-CZ 4.32Å; F344-F346 HydrophobicContact CE1-CE2 4.3Å
345K47.5Very low49.7Very low191 Ų191152.4 Ų152.483%0.8380%0.801SS**  trans-67.1119.5161.9-83.1174.3170.9174.50108
346F55.8Low50.4Low185 Ų185149.8 Ų149.881%0.81180%0.803SS**  trans-113.2112151.9-84.6-80.6000108.5F344F344-F346 HydrophobicContact CD1-CD2 4.34Å; F344-F346 AromaticContact CD1-CE2 3.66Å; F344-F346 HydrophobicContact CD1-CE2 3.66Å; F344-F346 HydrophobicContact CD1-CZ 4.32Å; F344-F346 HydrophobicContact CE1-CE2 4.3Å
347S49.4Very low50Low99 Ų99147.5 Ų147.569%0.69280%0.797SS**  trans-64.8138.9175.545.70000111.3
348A42Very low50.7Low91 Ų91146.5 Ų146.575%0.75280%0.797SS**  trans-52135.7166.200000111.9
349F50.2Low51Low196 Ų196143.9 Ų143.986%0.8679%0.792SS**  trans-109.497.9157.2-104.2-83.5000107.9
350T41.1Very low51.4Low123 Ų123143.9 Ų143.976%0.75579%0.789SS**  trans-71131.8152.839.40000108
351K59.8Low51.6Low200 Ų200144.9 Ų144.987%0.8779%0.79SS**  trans-143.8104.9158.8-154.1168.9-174.7177.80110.6
352D46.5Very low52.1Low142 Ų142148.6 Ų148.676%0.75979%0.792SS**  trans-64.9158.5168.1-80.6-53000113.5
353S48.7Very low52.4Low117 Ų117149.8 Ų149.882%0.81880%0.795SS**  trans76.1116.614272.50000120
354S52.3Low52.8Low108 Ų108146.7 Ų146.776%0.75579%0.79SS**  165.1103.6115.8-160.90000106.2
355D52Low52.9Low143 Ų143146.4 Ų146.477%0.76580%0.795SS**  50.499.580.2-155.819.1000112.3
356D58.7Low53.4Low165 Ų165148 Ų14888%0.88280%0.796SS**  trans-165.1107.2141.4-105.8-28.2000109.4
357G49.3Very low53.2Low62 Ų62146.3 Ų146.364%0.63980%0.795SS**  trans-84.8144177.700000113
358L62.6Low53.3Low159 Ų159147.8 Ų147.883%0.83280%0.796SS**  trans-141.9102.7157.5-78.7177.8000111.7
359K57.4Low53.7Low189 Ų189146.3 Ų146.382%0.82279%0.789SS**  trans46.8108.4131-66.6-178.9178.5174.80119.6
360K53.3Low53.9Low188 Ų188143.5 Ų143.582%0.81779%0.788SS**  trans-30.9136.2145-59.1173.5177.8-179.20113.4
361N63.1Low54.6Low157 Ų157147.8 Ų147.884%0.8480%0.797SS**  trans-139.3107145-80-41000107.9
362D53Low54.2Low152 Ų152143.3 Ų143.381%0.81380%0.796SS**  trans-60125.7164.1-64.2-59.3000109.1
363V61.3Low54.5Low134 Ų134141.5 Ų141.581%0.81280%0.795SS**  trans-112117.5166.1176.20000107.1
364P56.6Low54.6Low111 Ų111146.8 Ų146.872%0.72180%0.797SS**  trans-80.2147.6-177.331.9-32.2000111.6R366P364-R366 PolarHBondContact O-N 2.88Å
365L50.5Low54.6Low163 Ų163150.5 Ų150.585%0.85380%0.8SS**  trans-23125.6155.9-111.172.2000113.4
366R58.1Low54.5Low223 Ų223148.8 Ų148.884%0.84280%0.795SS**  trans-116114.3148.7-99.6-160.2167.5-148.90.9109.4P364 D368P364-R366 PolarHBondContact O-N 2.88Å; R366-D368 IonicContact NH1-OD2 2.8Å; R366-D368 PolarHBondContact NH1-OD2 3.27Å
367D51.3Low53.9Low150 Ų150147.3 Ų147.380%0.80279%0.791SS**  trans-95.6108.7169.6-155.61.5000105.8
368D52.4Low53.9Low131 Ų131153.4 Ų153.470%0.70180%0.8SS**  trans-146106.9168.2-84.3-42.2000103.1R366R366-D368 IonicContact NH1-OD2 2.8Å; R366-D368 PolarHBondContact NH1-OD2 3.27Å
369G49.9Very low53.1Low60 Ų60150 Ų15062%0.61980%0.796SS**  118.193.264.300000107.6
370T53.7Low52.8Low137 Ų137146.7 Ų146.784%0.8480%0.796SS**  trans3.3123.9153.351.60000117.4
371K55.3Low52.7Low213 Ų213146.4 Ų146.493%0.92680%0.798SS**  trans-159.2120.8139.7-106.4157.6-167.8-176.90111.5
372A51.4Low51.9Low105 Ų105144.7 Ų144.787%0.86880%0.796SS**  trans-62.2146.1173.700000112.3
373S53.7Low51.8Low104 Ų104145.4 Ų145.473%0.72780%0.795SS**  trans-153119.9147-168.90000111.1
374R50.7Low51.3Low228 Ų228149.8 Ų149.886%0.8680%0.797SS**  trans-70134.8168-80.6170.5164.3148.9-5.6110.1
375F51.1Low51.3Low186 Ų186150.1 Ų150.182%0.81680%0.801SS**  trans-142.5100.3145.8-83.6-79.7000106.6
376V50.3Low51.4Low108 Ų108148.7 Ų148.766%0.65580%0.798SS**  61.2101.796-176.30000112.3F378V376-F378 HydrophobicContact CG1-CD2 4.15Å; V376-F378 HydrophobicContact CG1-CE2 4.3Å
377V46.2Very low51.4Low134 Ų134141.9 Ų141.981%0.81280%0.798SS**  trans-57.5128.1162.71740000109.6
378F48.9Very low51.6Low189 Ų189140.7 Ų140.783%0.82980%0.796SS**  trans-121.1106.9156.7-105.5-84.5000108.4V376V376-F378 HydrophobicContact CG1-CD2 4.15Å; V376-F378 HydrophobicContact CG1-CE2 4.3Å
379A46.2Very low51.8Low89 Ų89146 Ų14674%0.73682%0.823SS**  trans-76.2128.3157.600000107.6
380S52.4Low51.9Low118 Ų118150.3 Ų150.383%0.82583%0.833SS**  trans-131.6100.8163.259.10000108.6
381E49.7Very low51.8Low183 Ų183150.9 Ų150.986%0.85583%0.832SS**  trans-73.3131.9167.3-173.7168-169.400109.7
382C47.4Very low51.7Low120 Ų120147.5 Ų147.581%0.81183%0.827SS**  trans-173.393.2159.7-101.20000107.4
383Q49.9Very low51.7Low168 Ų168150 Ų15079%0.78583%0.825SS**  70.7136.893.3-92.1-175.63.900116
384R51.5Low51.5Low225 Ų225152.9 Ų152.985%0.84983%0.831SS**  trans94.1126.6165-67178-173.7164.32.3114.9
385C55.9Low51.6Low119 Ų119147.9 Ų147.980%0.80483%0.829SS**  cis-144.7140.816.4-830000111.3
386V53.5Low51.6Low133 Ų133145.1 Ų145.181%0.80683%0.83SS**  trans-75136.2156.2172.60000107.9
387G57.4Low51.7Low80 Ų80148 Ų14883%0.82584%0.843SS**  trans-145.281.217100000108.9
388T56.4Low52.2Low124 Ų124149.2 Ų149.276%0.76185%0.846SS**  trans-82123172.2-39.20000108.8
389L57.1Low52.5Low242 Ų242145.5 Ų145.5100%1.26785%0.848SS**  trans-160.50140.5-107.1164.1000109.1

Retrieved 389 of 389 residues in 1295.2 ms (Link to these results)