A0A077Z4D7_TRITR Loading...

Schwannomin interacting protein 1

AlphaFold DB , UniProt , Accession A0A077Z4D7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 479 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
1M45.9Very low50.2Low245 Ų245141.8 Ų141.8100%1.20782%0.823SS**  0126.30-77-63.2-165.900107.4
2G49.7Very low49.9Very low80 Ų80139.9 Ų139.983%0.82582%0.819SS**  trans80.2127.8-179.600000114.3
3S45.4Very low49Very low99 Ų99139.2 Ų139.269%0.69283%0.826SS**  trans-167.3130.3179.854.60000111.6
4H60.8Low48.7Very low177 Ų177134.9 Ų134.982%0.81983%0.825SS**  trans-143.5132.2170.3-59.2-72.3000106.8
5T51.8Low48Very low117 Ų117133.7 Ų133.772%0.71883%0.825SS**  cis66.9124.735.479.50000112.1
6T52.1Low47.8Very low123 Ų123138.2 Ų138.276%0.75583%0.832SS**  cis-151.9175.816.249.60000109.4
7N47.4Very low47.1Very low147 Ų147140.1 Ų140.179%0.78683%0.83SS**  cis-160.4170.6-16.9-106.824.3000109.4
8P53.7Low46.8Very low112 Ų112141.9 Ų141.973%0.72783%0.834SS**  trans-101.8175.5-174.740.3-36.4000115.9
9I52.6Low46.2Very low168 Ų168137.7 Ų137.786%0.86282%0.817SS**  trans-140.3139.4165.3-63.3-178.7000109.4
10D41.8Very low45.8Very low151 Ų151138.5 Ų138.581%0.80782%0.817SS**  trans-86.3164-178.6-58.1-79000115.3
11V51.3Low45.5Very low141 Ų141137.2 Ų137.286%0.85581%0.81SS**  trans-170.3143.8130136.50000110.2
12P46.3Very low45.1Very low119 Ų119132.1 Ų132.177%0.77378%0.784SS**  trans-102.1163.4-162.439-37.3000116.5
13S38Very low44.7Very low131 Ų131135.1 Ų135.192%0.91678%0.781SS**  trans-75.9148.8169.8-55.40000113.1
14G45.1Very low44.3Very low78 Ų78137.5 Ų137.580%0.80478%0.779SS**  trans-146.1135.1170.400000112
15S37.3Very low43.3Very low118 Ų118136 Ų13683%0.82578%0.777SS**  trans-99.4134.1-177.5-53.70000111.4
16H46Very low42.7Very low205 Ų205137.5 Ų137.595%0.94978%0.781SS**  trans-142.9150.9162.7-99.1-80.9000111.9
17H36Very low41.9Very low171 Ų171139.3 Ų139.379%0.79279%0.785SS**  trans-110.4135.2-166.8-169-38.2000109.8
18L41.4Very low41.2Very low173 Ų173137.5 Ų137.591%0.90678%0.782SS**  trans-142.2156.8167.2-96.8172.7000109.9
19A35.7Very low40.1Very low61 Ų61139.2 Ų139.250%0.50479%0.786SS.*  trans-140.5-178.7-174.500000110
20D37.1Very low39.2Very low153 Ų153136.2 Ų136.282%0.81878%0.775SS**  trans69.8152.3162.1-58.2-26.8000116.3
21V39.2Very low38.6Very low112 Ų112136.4 Ų136.468%0.67978%0.776SS**  cis-161.8151.9-10.4118.50000109.6
22E37.5Very low37.8Very low138 Ų138134.4 Ų134.465%0.64577%0.774SS**  trans58.6154.8164.4-80.8-172.312600118.2K24E22-K24 IonicContact OE1-NZ 3.29Å; E22-K24 PolarHBondContact OE1-NZ 3.47Å
23N41.3Very low37.1Very low143 Ų143137.1 Ų137.177%0.76578%0.781SS**  cis-153.3161.147.8-163.22.1000114
24K38.3Very low36.9Very low149 Ų149134.9 Ų134.965%0.64877%0.771SS**  trans-82.7156.4178.7-59.8137.1-177.1142.70110.9E22E22-K24 IonicContact OE1-NZ 3.29Å; E22-K24 PolarHBondContact OE1-NZ 3.47Å
25N39.1Very low36.2Very low146 Ų146140.1 Ų140.178%0.78178%0.775SS**  trans-168.3145.1137.4-104.1-27.7000115.6
26N40Very low35.9Very low149 Ų149141 Ų14180%0.79778%0.779SS**  trans77.4150.5157.3-59.4-20000120.4
27L34.4Very low35.3Very low160 Ų160135.4 Ų135.484%0.83877%0.768SS**  trans-138.1171.6-158-143.477.3000109.6
28C32.8Very low35.6Very low110 Ų110133.1 Ų133.174%0.74377%0.769SS**  trans71.8154.6173.4-55.30000115.4
29N31.4Very low35.5Very low148 Ų148136.5 Ų136.579%0.79177%0.77SS**  cis-142.5178.96.1-146.11.8000113.4
30T32.8Very low36Very low105 Ų105140.6 Ų140.664%0.64479%0.788SS**  trans-93164.4-165.1560000116.8
31N29.6Very low35.9Very low155 Ų155135.4 Ų135.483%0.82977%0.771SS**  trans81.887.4153-58.8-21.3000121.4
32A35.3Very low36.1Very low99 Ų99133.9 Ų133.982%0.81876%0.764SS**  trans-160.9124.7139.500000106.3
33L31.1Very low36.5Very low175 Ų175129.3 Ų129.392%0.91675%0.75SS**  cis8154.532.4-137-177.8000114.7
34A33.2Very low36.7Very low85 Ų85126.1 Ų126.170%0.70273%0.733SS**  trans-159.1144.3155.300000112.2
35E31.4Very low37.1Very low188 Ų188123 Ų12388%0.87972%0.723SS**  trans30.9105.6155.4-64174115.300120.9
36C30.9Very low37.5Very low135 Ų135118.4 Ų118.491%0.91270%0.702SS**  trans-93.396154.3-67.40000110.4
37A33.1Very low37.7Very low88 Ų88113.1 Ų113.173%0.72768%0.679SS**PPolyproline II helixtrans-73.7137.6163.100000109.9R39A37-R39 PolarHBondContact O-N 3.22Å
38P41.8Very low38.6Very low123 Ų123112.8 Ų112.880%0.79967%0.667SS**PPolyproline II helixtrans-67.9123.3176.328.1-33000109.7V40P38-V40 PolarHBondContact O-N 3.39Å
39R40Very low39.6Very low245 Ų245115.7 Ų115.793%0.92566%0.662SS**PPolyproline II helixtrans-66.3128.1168.4-82.9-177.8159.3-165.2-7.3108.8A37 G41A37-R39 PolarHBondContact O-N 3.22Å; R39-G41 PolarHBondContact O-N 3.42Å
40V45Very low40.4Very low146 Ų146112.4 Ų112.489%0.88564%0.641SS**  trans-62.7102.2173.7-178.60000108.7P38P38-V40 PolarHBondContact O-N 3.39Å
41G36.9Very low41.5Very low45 Ų45109.6 Ų109.646%0.46462%0.623SS.*  trans-80.7149.5165.400000109.9R39 A43R39-G41 PolarHBondContact O-N 3.42Å; G41-A43 PolarHBondContact O-N 2.87Å
42C42.9Very low42.8Very low79 Ų79105.4 Ų105.453%0.53460%0.601SS.*  trans-59.1137176.2-65.40000110.2L44 D45 S46C42-L44 PolarHBondContact O-N 3.09Å; C42-D45 WeakPolarHBondContact O-CB 3.3Å; C42-D45 PolarHBondContact O-N 2.97Å; C42-S46 PolarHBondContact O-N 3.3Å; C42-S46 VanDerWaalsContact O-N 3.14Å
43A44.9Very low43.8Very low43 Ų43105.6 Ų105.636%0.35559%0.589SS.*Hα-helixtrans-55.1-25.4179.700000113.4G41 S46 A47G41-A43 PolarHBondContact O-N 2.87Å; A43-S46 PolarHBondContact O-N 3.46Å; A43-A47 WeakPolarHBondContact O-CB 3.38Å; A43-A47 PolarHBondContact O-N 3.14Å
44L46.3Very low44.8Very low76 Ų76101.6 Ų101.640%0.39856%0.564SS.*Hα-helixtrans-67.9-37.9173.3-120.2165.9000113.4C42 R48 L409C42-L44 PolarHBondContact O-N 3.09Å; L44-R48 WeakPolarHBondContact O-CB 3.41Å; L44-R48 VanDerWaalsContact O-CG 3.29Å; L44-R48 WeakPolarHBondContact O-CG 3.34Å; L44-R48 PolarHBondContact O-N 3.11Å; L44-L409 HydrophobicContact CD1-CD2 4.03Å
45D45.7Very low45.5Very low84 Ų8499.3 Ų99.345%0.44954%0.54SS..Hα-helixtrans-71.7-38.4172.2-83.4-26.2000111C42 R48 R49C42-D45 WeakPolarHBondContact O-CB 3.3Å; C42-D45 PolarHBondContact O-N 2.97Å; D45-R48 PolarHBondContact O-N 3.49Å; D45-R49 WeakPolarHBondContact O-CB 3.46Å; D45-R49 VanDerWaalsContact O-CG 3.29Å; D45-R49 WeakPolarHBondContact O-CG 3.36Å; D45-R49 PolarHBondContact O-N 3.01Å
46S48.7Very low46.5Very low48 Ų4897.6 Ų97.634%0.33653%0.532SS..Hα-helixtrans-60.6-46173.3-58.20000111.2C42 A43 R49 F50C42-S46 PolarHBondContact O-N 3.3Å; C42-S46 VanDerWaalsContact O-N 3.14Å; A43-S46 PolarHBondContact O-N 3.46Å; S46-R49 PolarHBondContact O-N 3.34Å; S46-F50 WeakPolarHBondContact O-CB 3.5Å; S46-F50 PolarHBondContact O-N 2.64Å
47A43Very low47.4Very low38 Ų3895.4 Ų95.431%0.31452%0.518SS..Hα-helixtrans-65.5-41.9178.300000112.8A43 F50 T51A43-A47 WeakPolarHBondContact O-CB 3.38Å; A43-A47 PolarHBondContact O-N 3.14Å; A47-F50 PolarHBondContact O-N 3.28Å; A47-T51 PolarHBondContact O-N 3.25Å; A47-T51 PolarHBondContact O-OG1 2.78Å
48R54.1Low48.1Very low153 Ų15397.6 Ų97.658%0.57751%0.513SS*.Hα-helixtrans-61.1-49.1174.9-77174.2178.5-1680.6111.7L44 D45 F50 T51 D52L44-R48 WeakPolarHBondContact O-CB 3.41Å; L44-R48 VanDerWaalsContact O-CG 3.29Å; L44-R48 WeakPolarHBondContact O-CG 3.34Å; L44-R48 PolarHBondContact O-N 3.11Å; D45-R48 PolarHBondContact O-N 3.49Å; R48-F50 VanDerWaalsContact C-N 3.32Å; R48-F50 PolarHBondContact O-N 2.95Å; R48-T51 PolarHBondContact O-N 3.22Å; R48-T51 PolarHBondContact O-OG1 2.65Å; R48-D52 VanDerWaalsContact O-CG 3.26Å; R48-D52 PolarHBondContact O-N 3.04Å
49R54.1Low48.4Very low171 Ų17196.2 Ų96.265%0.64551%0.506SS*.Hα-helixtrans-58.1-44.9174.2-72.1173.9-175.6-132.40.3111.3D45 S46 T51 D52 D53D45-R49 WeakPolarHBondContact O-CB 3.46Å; D45-R49 VanDerWaalsContact O-CG 3.29Å; D45-R49 WeakPolarHBondContact O-CG 3.36Å; D45-R49 PolarHBondContact O-N 3.01Å; S46-R49 PolarHBondContact O-N 3.34Å; R49-T51 VanDerWaalsContact C-N 3.31Å; R49-T51 PolarHBondContact O-N 3.27Å; R49-D52 PolarHBondContact O-N 3.02Å; R49-D52 VanDerWaalsContact O-N 3.12Å; R49-D53 VanDerWaalsContact O-CB 3.25Å; R49-D53 WeakPolarHBondContact O-CB 3.31Å; R49-D53 PolarHBondContact O-N 3.29Å
50F47.8Very low48.5Very low79 Ų7989 Ų8935%0.34649%0.493SS..Hα-helixtrans-62.1-36.6178.3-137.9-67.7000112.6S46 A47 R48 F54 M338S46-F50 WeakPolarHBondContact O-CB 3.5Å; S46-F50 PolarHBondContact O-N 2.64Å; A47-F50 PolarHBondContact O-N 3.28Å; R48-F50 VanDerWaalsContact C-N 3.32Å; R48-F50 PolarHBondContact O-N 2.95Å; F50-F54 WeakPolarHBondContact O-CB 3.32Å; F50-F54 PolarHBondContact O-N 2.77Å; F50-F54 VanDerWaalsContact O-N 3.08Å; F50-M338 HydrophobicContact CD1-CE 3.39Å; F50-M338 HydrophobicContact CD1-SD 4.44Å; F50-M338 HydrophobicContact CE1-CE 3.29Å; F50-M338 HydrophobicContact CE1-SD 3.74Å; F50-M338 HydrophobicContact CG-CE 4.22Å; F50-M338 HydrophobicContact CZ-CE 4.06Å; F50-M338 HydrophobicContact CZ-SD 4.13Å
51T54.9Low48Very low46 Ų4689 Ų8928%0.28249%0.488SS..Hα-helixtrans-68.3-38.7173.4490000112.8A47 R48 R49 D55A47-T51 PolarHBondContact O-N 3.25Å; A47-T51 PolarHBondContact O-OG1 2.78Å; R48-T51 PolarHBondContact O-N 3.22Å; R48-T51 PolarHBondContact O-OG1 2.65Å; R49-T51 VanDerWaalsContact C-N 3.31Å; R49-T51 PolarHBondContact O-N 3.27Å; T51-D55 WeakPolarHBondContact O-CB 3.03Å; T51-D55 PolarHBondContact O-N 2.86Å; T51-D55 VanDerWaalsContact O-N 3.07Å
52D58.3Low47.9Very low68 Ų6892.5 Ų92.536%0.36450%0.502SS..Hα-helixtrans-75.9-38.9-178.9-59.4-26.9000111.7R48 R49 F54 D55 E56R48-D52 VanDerWaalsContact O-CG 3.26Å; R48-D52 PolarHBondContact O-N 3.04Å; R49-D52 PolarHBondContact O-N 3.02Å; R49-D52 VanDerWaalsContact O-N 3.12Å; D52-F54 VanDerWaalsContact C-N 3.35Å; D52-D55 WeakPolarHBondContact O-CB 3.41Å; D52-D55 PolarHBondContact O-N 2.56Å; D52-E56 PolarHBondContact O-N 3.31Å; D52-E56 VanDerWaalsContact O-N 3.09Å
53D56.8Low47.5Very low103 Ų10395.5 Ų95.555%0.55152%0.518SS*.Hα-helixtrans-68.8-30.2175.5-67.7-34.2000112R49 S57R49-D53 VanDerWaalsContact O-CB 3.25Å; R49-D53 WeakPolarHBondContact O-CB 3.31Å; R49-D53 PolarHBondContact O-N 3.29Å; D53-S57 PolarHBondContact O-N 2.93Å; D53-S57 PolarHBondContact O-OG 3.39Å
54F50.5Low46.9Very low90 Ų90104.4 Ų104.440%0.39554%0.542SS..Hα-helixtrans-76-41.2173.8-163.3-80.2000111.5F50 D52 E56 S57 E58F50-F54 WeakPolarHBondContact O-CB 3.32Å; F50-F54 PolarHBondContact O-N 2.77Å; F50-F54 VanDerWaalsContact O-N 3.08Å; D52-F54 VanDerWaalsContact C-N 3.35Å; F54-E56 VanDerWaalsContact C-N 3.34Å; F54-E56 PolarHBondContact O-N 3.27Å; F54-S57 WeakPolarHBondContact O-CB 3.33Å; F54-S57 PolarHBondContact O-N 3.47Å; F54-E58 HydrophobicContact CD1-CG 4.27Å; F54-E58 HydrophobicContact CE1-CG 3.91Å; F54-E58 PolarHBondContact O-N 3.29Å
55D49.1Very low46.4Very low37 Ų37108 Ų10820%0.19856%0.561CS.*Hα-helixtrans-55.8-44.4171.8-94.7-13.7000111.5T51 D52 S57 S298 S300T51-D55 WeakPolarHBondContact O-CB 3.03Å; T51-D55 PolarHBondContact O-N 2.86Å; T51-D55 VanDerWaalsContact O-N 3.07Å; D52-D55 WeakPolarHBondContact O-CB 3.41Å; D52-D55 PolarHBondContact O-N 2.56Å; D55-S57 VanDerWaalsContact C-N 3.28Å; D55-S57 PolarHBondContact O-N 3Å; D55-S298 WeakPolarHBondContact OD1-CB 3.29Å; D55-S298 PolarHBondContact OD1-OG 2.7Å; D55-S298 PolarHBondContact OD2-OG 2.9Å; D55-S300 VanDerWaalsContact OD2-CB 3.29Å; D55-S300 WeakPolarHBondContact OD2-CB 3.42Å; D55-S300 PolarHBondContact OD2-N 3.46Å; D55-S300 PolarHBondContact OD2-OG 2.99Å
56E51.9Low45.9Very low153 Ų153109.8 Ų109.872%0.71558%0.578SS**Hα-helixtrans-61-36.4174.9-73.9-96.3116.200112.1D52 F54 S59D52-E56 PolarHBondContact O-N 3.31Å; D52-E56 VanDerWaalsContact O-N 3.09Å; F54-E56 VanDerWaalsContact C-N 3.34Å; F54-E56 PolarHBondContact O-N 3.27Å; E56-S59 WeakPolarHBondContact O-CB 3.35Å; E56-S59 PolarHBondContact O-OG 3.04Å
57S50Low45.2Very low88 Ų88115.6 Ų115.662%0.61560%0.604SS**Hα-helixtrans-75.3-35.5-170.2-650000114.5D53 F54 D55 S59D53-S57 PolarHBondContact O-N 2.93Å; D53-S57 PolarHBondContact O-OG 3.39Å; F54-S57 WeakPolarHBondContact O-CB 3.33Å; F54-S57 PolarHBondContact O-N 3.47Å; D55-S57 VanDerWaalsContact C-N 3.28Å; D55-S57 PolarHBondContact O-N 3Å; S57-S59 VanDerWaalsContact C-N 3.32Å; S57-S59 PolarHBondContact O-N 3.03Å
58E46.9Very low45Very low135 Ų135117.9 Ų117.963%0.63162%0.623SS**Hα-helixtrans-77.5-16.6-179.8-63.9-158.1119.800113.4F54 S60F54-E58 HydrophobicContact CD1-CG 4.27Å; F54-E58 HydrophobicContact CE1-CG 3.91Å; F54-E58 PolarHBondContact O-N 3.29Å; E58-S60 PolarHBondContact O-N 2.99Å
59S48.3Very low44.5Very low93 Ų93119.3 Ų119.365%0.6564%0.636SS**THydrogen-bonded Turntrans-61.4-15-175.971.70000116.2E56 S57E56-S59 WeakPolarHBondContact O-CB 3.35Å; E56-S59 PolarHBondContact O-OG 3.04Å; S57-S59 VanDerWaalsContact C-N 3.32Å; S57-S59 PolarHBondContact O-N 3.03Å
60S41.8Very low44.1Very low93 Ų93120 Ų12065%0.6565%0.647SS**THydrogen-bonded Turntrans-113.68.5-156.9-71.50000116.2E58E58-S60 PolarHBondContact O-N 2.99Å
61L34.7Very low43.8Very low147 Ų147123.4 Ų123.477%0.7767%0.669SS**  trans-112.7120.3-177.5-65.2-179.2000113.5V63L61-V63 PolarHBondContact O-N 3.23Å
62P35Very low43.2Very low118 Ų118129.4 Ų129.477%0.76670%0.699SS**  trans-78.6120.7179.730.4-33.4000112.1R64P62-R64 PolarHBondContact O-N 3.21Å
63V33.9Very low42.3Very low142 Ų142130.1 Ų130.186%0.86171%0.714SS**  trans-58.2126.9173.8178.40000110.8L61L61-V63 PolarHBondContact O-N 3.23Å
64R34.1Very low41.5Very low231 Ų231130.4 Ų130.487%0.87273%0.725SS**  trans-137.6100.9176.4-166.5175.7-172.2175.31.8111.7P62 P66P62-R64 PolarHBondContact O-N 3.21Å; R64-P66 WeakPolarHBondContact O-CD 3.49Å
65N34.8Very low40.9Very low150 Ų150131.6 Ų131.680%0.80274%0.743SS**  trans-57.5130.9172-80-5.3000111.5
66P35Very low40.3Very low123 Ų123137.1 Ų137.180%0.79977%0.772SS**  trans-106.4116.1165.534.1-22.7000110.8R64R64-P66 WeakPolarHBondContact O-CD 3.49Å
67L34.4Very low39.3Very low170 Ų170134.6 Ų134.689%0.8977%0.771SS**  trans-154.8132.9168.6-140.8163.6000107.7
68A39.6Very low38.8Very low86 Ų86138.4 Ų138.471%0.71178%0.778SS**  trans70139.9-160.400000113.7
69E41.9Very low38.3Very low182 Ų182138 Ų13885%0.8579%0.791SS**  cis-168.8-175.8-23.6-130.3170-172.400107.8
70E47.1Very low37.8Very low187 Ų187138.7 Ų138.787%0.87480%0.795SS**  trans73.2138.2169-50.5-158.212700119.1
71D40.4Very low37.5Very low149 Ų149138.9 Ų138.980%0.79780%0.797SS**  trans-68.7162.9176-55.1-91.9000113
72N41.8Very low37.7Very low172 Ų172140.7 Ų140.792%0.9281%0.806SS**  -170.2147119.1-103-68.7000114.2
73A40.9Very low37.7Very low83 Ų83143.4 Ų143.469%0.68681%0.809SS**  trans-61.9156.9-166.400000119.3
74S39.5Very low37.9Very low110 Ų110142.1 Ų142.177%0.76981%0.806SS**  trans88.3169138.180.60000120.8
75C37.8Very low38.2Very low115 Ų115136.4 Ų136.478%0.77780%0.801SS**  trans72.1132.5-176.6-630000116
76L36.3Very low38.4Very low153 Ų153134.7 Ų134.780%0.80180%0.801SS**  cis-149.7168.3-4.9-108167.5000110.1
77S31.3Very low38.6Very low99 Ų99136.2 Ų136.269%0.69280%0.798SS**  trans-108.1-158.8-176.5-52.20000112.8
78H39Very low39Very low168 Ų168135.4 Ų135.478%0.77879%0.787SS**  trans79135.5-179.5-40.3-72.5000113.5
79S37.7Very low39Very low128 Ų128140.2 Ų140.290%0.89580%0.795SS**  cis-132.2163.524.7-59.90000114
80S36.9Very low38.6Very low106 Ų106134.9 Ų134.974%0.74179%0.789SS**  trans-137.9151.5-171.356.50000113.5
81S34.5Very low38Very low98 Ų98133.6 Ų133.669%0.68579%0.787SS**  trans48.7128.6152-54.40000121.2
82L39.3Very low37.8Very low184 Ų184133.9 Ų133.996%0.96379%0.788SS**  -134.8152.6129.9-79.7-175.9000109.8
83E36.1Very low37.4Very low176 Ų176134.2 Ų134.282%0.82278%0.784SS**  trans-120.6176.8-167.8-65.3174.666.600112.8
84S37.6Very low37.1Very low115 Ų115136.3 Ų136.380%0.80479%0.792SS**  trans76.4146.6158.3-118.80000117
85S41.1Very low36.9Very low110 Ų110138.3 Ų138.377%0.76979%0.79SS**  cis-141.416020.8-64.10000114.1
86S38.2Very low36.9Very low115 Ų115140.9 Ų140.980%0.80479%0.79SS**  trans-82.7150.6167.7-54.80000112.5
87E40.2Very low36.7Very low155 Ų155140.4 Ų140.472%0.72479%0.788SS**  trans-176.1119.4135.4-99.6-170.3135.800107.8
88K42.6Very low37.2Very low153 Ų153142.9 Ų142.967%0.66579%0.792SS**  104.9122.168.2-95.1-174-158.1156.70111.5
89Q38.4Very low37.1Very low186 Ų186140 Ų14087%0.86979%0.791SS**  trans58.3127.9143.3-60.3175.4-27.200120.2
90G33.2Very low36.9Very low71 Ų71136.9 Ų136.973%0.73278%0.778SS**  trans156.785.8143.800000119.9
91L34.6Very low37Very low160 Ų160138 Ų13884%0.83878%0.784SS**  trans69.3140.7133.7-120.772000123
92L37.9Very low37.1Very low155 Ų155138.8 Ų138.881%0.81279%0.789SS**  trans77.2103.6157.2-54.7-174.8000119.9
93E31.7Very low37.4Very low178 Ų178140 Ų14083%0.83279%0.786SS**  trans-64.2158.3153.4-57.6141115.700111.6
94C36Very low37.1Very low128 Ų128136.1 Ų136.187%0.86578%0.784SS**  trans-151.885.4151.7-121.40000109.5
95E33.8Very low37.2Very low152 Ų152137.3 Ų137.371%0.7179%0.786SS**  trans-65.8148164-66.3-164.4103.900110.4
96H38.7Very low37.3Very low169 Ų169137.6 Ų137.678%0.78278%0.783SS**  trans-147.485.1156-104.966.7000109.9
97N32.3Very low37.1Very low142 Ų142138.8 Ų138.876%0.75978%0.78SS**  trans-89.9125.4164.9-79.1-61.7000109
98I40.9Very low37.1Very low151 Ų151143.6 Ų143.677%0.77479%0.792SS**  trans-128.1132.5170.2-61.2-175.5000110.3
99S37.6Very low37Very low108 Ų108148.1 Ų148.176%0.75581%0.805SS**  trans-56.7155.8-172.5179.50000116.3
100G32.7Very low37.4Very low62 Ų62147.3 Ų147.364%0.63980%0.799SS**  trans-73.1-152.4154.400000112.6
101P40.5Very low37.7Very low131 Ų131150.3 Ų150.385%0.85179%0.791SS**  cis-145.1-174.448.741.6-22.2000116.4
102S34.9Very low38.8Very low113 Ų113148.4 Ų148.479%0.7978%0.782SS**  trans-70.2159.5-174.3-34.70000116.8
103K45.6Very low39.3Very low211 Ų211146.5 Ų146.592%0.91777%0.772SS**  trans-137.2136.3142.7-74.1-169.8178.4177.30111.1
104A31.4Very low40.6Very low93 Ų93145.8 Ų145.877%0.76978%0.775SS**  trans-116.2-161.9165.500000108.8
105V39.6Very low41.7Very low140 Ų140147.4 Ų147.485%0.84877%0.774SS**  trans89.2132.3176.9-179.80000114.4
106V43Very low42.4Very low117 Ų117148.3 Ų148.371%0.70978%0.784SS**  cis-158.9156.1-15.7125.50000109.7
107N33.4Very low43.4Very low140 Ų140148.1 Ų148.175%0.74979%0.789SS**  trans-6.3143.6162.4-45.6-18.8000120.5
108R40.8Very low43.8Very low256 Ų256145 Ų14597%0.96679%0.79SS**  trans-143.9161.3132.4-109.5171.9-158.7-156.83.7111.8
109R39.3Very low44.1Very low247 Ų247143.3 Ų143.393%0.93279%0.792SS**  trans-112.1137.3-166.3-60.6172.3177.5159.5-5113
110K46.7Very low44.4Very low170 Ų170143.2 Ų143.274%0.73979%0.791SS**  trans-165.7131145.6-108.8-158.2153.5-143.20104D112K110-D112 IonicContact NZ-OD1 2.56Å; K110-D112 IonicContact NZ-OD2 3.51Å; K110-D112 PolarHBondContact NZ-OD2 2.91Å
111K39.7Very low44.9Very low134 Ų134150 Ų15058%0.58380%0.804SS**  cis48.9103.839.6-172.9170.7178.592.80112.3D113K111-D113 WeakPolarHBondContact CE-OD2 3.34Å; K111-D113 IonicContact NZ-OD1 2.65Å; K111-D113 PolarHBondContact NZ-OD1 3.14Å; K111-D113 IonicContact NZ-OD2 3.52Å; K111-D113 PolarHBondContact NZ-OD2 3.14Å
112D58.3Low44.7Very low120 Ų120147.7 Ų147.764%0.64280%0.804SS**  -136167.9104.3-70.3-48.8000107.3K110K110-D112 IonicContact NZ-OD1 2.56Å; K110-D112 IonicContact NZ-OD2 3.51Å; K110-D112 PolarHBondContact NZ-OD2 2.91Å
113D47.9Very low44.8Very low114 Ų114145.7 Ų145.761%0.6180%0.8SS**  trans-110.6155.7-176.4-25.7-82.5000109.5K111K111-D113 WeakPolarHBondContact CE-OD2 3.34Å; K111-D113 IonicContact NZ-OD1 2.65Å; K111-D113 PolarHBondContact NZ-OD1 3.14Å; K111-D113 IonicContact NZ-OD2 3.52Å; K111-D113 PolarHBondContact NZ-OD2 3.14Å
114D60.6Low44.5Very low164 Ų164142 Ų14288%0.87780%0.801SS**  trans-169.5160.1159.4-91.1-33.5000109.2
115D59Low44.8Very low161 Ų161144 Ų14486%0.86180%0.804SS**  trans-91.4155.6-152.8-63.1-73.5000118.5
116D48.1Very low44.6Very low171 Ų171143 Ų14391%0.91480%0.803SS**  trans-80.8128.7165.6-101-55.4000110.7
117D59.2Low44.5Very low166 Ų166142.2 Ų142.289%0.88880%0.802SS**  trans-139.3116.7163.2-139.6-14.8000110.4
118G40.7Very low44.6Very low76 Ų76141.4 Ų141.478%0.78481%0.807SS**  trans-99.7133.9-164.900000113.8
119S47.9Very low44.6Very low115 Ų115137.5 Ų137.580%0.80480%0.8SS**  trans-134.1138.4162.364.10000111.8
120S42.7Very low44.4Very low107 Ų107133.5 Ų133.575%0.74880%0.797SS**  trans-115113.6-173.7151.20000109.8
121F44Very low44Very low205 Ų205130.8 Ų130.890%0.89980%0.8SS**  trans-135.1106.7162.1-81.7-76.3000110.6
122G35.3Very low44.1Very low82 Ų82132.9 Ų132.985%0.84581%0.809SS**  trans-83129.5163.600000109.7
123G38.7Very low43.3Very low70 Ų70133.4 Ų133.472%0.72282%0.816SS**  trans-141.6106.5175.700000110.2
124S37.9Very low42.9Very low133 Ų133135.5 Ų135.593%0.9383%0.827SS**  trans-87.2110.9176.6-58.20000109.9
125T39.1Very low41.8Very low136 Ų136133.4 Ų133.483%0.83482%0.82SS**  trans-100.6110.3170.748.80000110.3
126S35.3Very low40.9Very low119 Ų119133.3 Ų133.383%0.83282%0.819SS**  trans-85.5115.4163.554.90000109.5
127C39.5Very low40.5Very low100 Ų100130.4 Ų130.468%0.67681%0.811SS**  trans-100.1132.4166.245.80000110
128S35.4Very low39.3Very low123 Ų123128.7 Ų128.786%0.8681%0.812SS**  trans-106.2115.9168.9-57.10000108
129E40.6Very low39.5Very low174 Ų174130.3 Ų130.381%0.81381%0.811SS**  trans-121.898.2178.9-78.2-179.988.100110.2
130D36.2Very low39.2Very low163 Ų163130.2 Ų130.287%0.87281%0.811SS**  trans-154.882.5168.2-134.5-18.5000110.7
131S37.1Very low38.9Very low114 Ų114130.7 Ų130.780%0.79781%0.814SS**  trans-16380.2172.7-1660000113.5
132F42.5Very low39.2Very low178 Ų178127 Ų12778%0.78181%0.808SS**  trans-145.174.7158.957.4-87.6000112.5L134F132-L134 PolarHBondContact O-N 3.11Å
133V42.5Very low39.7Very low131 Ų131130 Ų13079%0.79481%0.805SS**  trans-75.787.6173.1-172.60000110.3T135V133-T135 HydrophobicContact CG1-CG2 4.25Å; V133-T135 PolarHBondContact O-N 3.45Å
134L39.5Very low39.8Very low158 Ų158132.4 Ų132.483%0.82781%0.807SS**  trans-79.193.3172-82.3171.2000111.3F132 N136F132-L134 PolarHBondContact O-N 3.11Å; L134-N136 PolarHBondContact O-N 3.43Å
135T37.5Very low39.9Very low119 Ų119136.2 Ų136.273%0.7381%0.807SS**  trans-70.787.9173.338.30000111.9V133 C137V133-T135 HydrophobicContact CG1-CG2 4.25Å; V133-T135 PolarHBondContact O-N 3.45Å; T135-C137 PolarHBondContact O-N 3.08Å
136N39.9Very low40Very low160 Ų160134.8 Ų134.886%0.85680%0.803SS**  trans-84.698.5179.2-14923.1000111.4L134 S138L134-N136 PolarHBondContact O-N 3.43Å; N136-S138 PolarHBondContact O-N 3.39Å
137C39.1Very low40.3Very low109 Ų109135.3 Ų135.374%0.73680%0.804SS**  trans-70.7120-175.7-66.80000113.2T135 S139T135-C137 PolarHBondContact O-N 3.08Å; C137-S139 PolarHBondContact O-N 3.01Å
138S34.8Very low40.3Very low130 Ų130139.4 Ų139.491%0.90981%0.813SS**  trans-72.2106.9173.5-61.90000112.2N136N136-S138 PolarHBondContact O-N 3.39Å
139S43.3Very low40.2Very low110 Ų110138.5 Ų138.577%0.76981%0.806SS**  trans-115.5120.2176.350.10000113.4C137C137-S139 PolarHBondContact O-N 3.01Å
140S42.6Very low40.1Very low113 Ų113135.6 Ų135.679%0.7980%0.803SS**  trans-23.8129.2172.353.10000119.5
141S35.5Very low40.8Very low117 Ų117134.7 Ų134.782%0.81880%0.798SS**  trans-36.3126.8151.7159.80000116
142V51.3Low41.4Very low128 Ų128137.3 Ų137.378%0.77680%0.795SS**  trans-147152.4146.6-177.70000109.5
143D45.2Very low41.8Very low145 Ų145133 Ų13378%0.77578%0.784SS**  trans-61.3152.4-168.9-56.9-92.6000118.8
144P41.1Very low42.2Very low120 Ų120132.3 Ų132.378%0.77977%0.774SS**  trans-97.5109173.735.2-30.6000113.8
145K41Very low42.8Very low213 Ų213130.4 Ų130.493%0.92676%0.761SS**  trans-165.272.7167-119.2164.4-170.5170.40116.8
146S39.5Very low43.6Very low107 Ų107131 Ų13175%0.74876%0.755SS**  trans-166.7125.8152.6-169.70000112.6
147P42.2Very low44.3Very low130 Ų130126.1 Ų126.184%0.84474%0.738SS**  trans-104.688.1178.136.6-29.2000112.6
148Q40.6Very low45.4Very low185 Ų185126.5 Ų126.586%0.86473%0.727SS**  trans-153.1114.6172.5-145.517320.500113.4
149C33.5Very low47.1Very low105 Ų105125.8 Ų125.871%0.70971%0.713SS**  trans145.641.2155.9-156.80000113.2N151C149-N151 PolarHBondContact O-N 2.9Å
150C37.6Very low48.8Very low113 Ų113125.8 Ų125.876%0.76470%0.704SS**THydrogen-bonded Turntrans-73.9106.7167.3460000110.1
151N52Low50.5Low143 Ų143124.1 Ų124.177%0.76569%0.692SS**THydrogen-bonded Turntrans-171.7-17.7165.2-99.8-24.9000114C149C149-N151 PolarHBondContact O-N 2.9Å
152K48.8Very low52.6Low170 Ų170123.9 Ų123.974%0.73968%0.678SS**SBendtrans-88.7-13.5-179.2-66.7-177.4177.4-179.50114.7I154K152-I154 VanDerWaalsContact C-N 3.33Å; K152-I154 PolarHBondContact O-N 3.49Å
153T50.9Low53.9Low87 Ų87120.9 Ų120.953%0.53466%0.662SS.*Hα-helixtrans-74.9-16.3-168.7-210000114.7A157T153-A157 PolarHBondContact O-N 3.45Å
154I50.6Low55.8Low116 Ų116118.5 Ų118.560%0.59565%0.648SS**Hα-helixtrans-75.8-32.2-170-62.1175.9000112.5K152K152-I154 VanDerWaalsContact C-N 3.33Å; K152-I154 PolarHBondContact O-N 3.49Å
155E52.2Low57.7Low118 Ų118115.7 Ų115.755%0.55163%0.632SS**Hα-helixtrans-72.3-49.2174.6-64.7-62.888.900110.7A157 K158 D159E155-A157 PolarHBondContact O-N 3.41Å; E155-A157 VanDerWaalsContact O-N 3.11Å; E155-K158 WeakPolarHBondContact O-CB 3.47Å; E155-K158 PolarHBondContact O-N 3.3Å; E155-K158 WeakPolarHBondContact OE1-CE 3.39Å; E155-K158 IonicContact OE1-NZ 2.64Å; E155-K158 PolarHBondContact OE1-NZ 3.44Å; E155-K158 IonicContact OE2-NZ 3.94Å; E155-D159 PolarHBondContact O-N 3.36Å
156Q53.7Low59.6Low131 Ų131109.2 Ų109.261%0.61261%0.607SS**Hα-helixtrans-58.3-29.1180-63.9-179.4-48.600113.3K158 L160Q156-K158 VanDerWaalsContact C-N 3.32Å; Q156-K158 PolarHBondContact O-N 2.94Å; Q156-L160 PolarHBondContact O-N 2.77Å; Q156-L160 VanDerWaalsContact O-N 3.1Å
157A55.2Low61.6Low59 Ų59107.6 Ų107.649%0.48859%0.59SS.*Hα-helixtrans-67.9-28.4174.900000113.4T153 E155 S161T153-A157 PolarHBondContact O-N 3.45Å; E155-A157 PolarHBondContact O-N 3.41Å; E155-A157 VanDerWaalsContact O-N 3.11Å; A157-S161 WeakPolarHBondContact O-CB 3.5Å; A157-S161 PolarHBondContact O-N 2.92Å; A157-S161 VanDerWaalsContact O-N 3.13Å
158K63.1Low63.4Low117 Ų117104.9 Ų104.951%0.50957%0.573SS.*Hα-helixtrans-73.2-46175.4-60.6169.4-176.2168.60110.6E155 Q156 L160 S161 Q162E155-K158 WeakPolarHBondContact O-CB 3.47Å; E155-K158 PolarHBondContact O-N 3.3Å; E155-K158 WeakPolarHBondContact OE1-CE 3.39Å; E155-K158 IonicContact OE1-NZ 2.64Å; E155-K158 PolarHBondContact OE1-NZ 3.44Å; E155-K158 IonicContact OE2-NZ 3.94Å; Q156-K158 VanDerWaalsContact C-N 3.32Å; Q156-K158 PolarHBondContact O-N 2.94Å; K158-L160 VanDerWaalsContact C-N 3.32Å; K158-L160 PolarHBondContact O-N 2.89Å; K158-S161 WeakPolarHBondContact O-CB 3.5Å; K158-S161 PolarHBondContact O-N 3.04Å; K158-S161 VanDerWaalsContact O-N 3.14Å; K158-Q162 PolarHBondContact O-N 3.18Å
159D69.9Low65.2Low115 Ų11599.2 Ų99.262%0.61555%0.554SS**Hα-helixtrans-60.9-42.2178.7-59.6-28.6000111.1E155 Q162 C163E155-D159 PolarHBondContact O-N 3.36Å; D159-Q162 PolarHBondContact O-N 2.86Å; D159-C163 VanDerWaalsContact O-CB 3.25Å; D159-C163 WeakPolarHBondContact O-CB 3.41Å; D159-C163 PolarHBondContact O-N 3.16Å
160L77.8Confident67.3Low110 Ų11099.9 Ų99.958%0.57655%0.546SS*.Hα-helixtrans-64.4-41.5174.3-174.964.1000112.2Q156 K158 C163 L164Q156-L160 PolarHBondContact O-N 2.77Å; Q156-L160 VanDerWaalsContact O-N 3.1Å; K158-L160 VanDerWaalsContact C-N 3.32Å; K158-L160 PolarHBondContact O-N 2.89Å; L160-C163 PolarHBondContact O-N 3.21Å; L160-L164 HydrophobicContact CG-CD1 4.2Å; L160-L164 WeakPolarHBondContact O-CB 3.19Å; L160-L164 VanDerWaalsContact O-CG 3.31Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 3.3Å
161S78.9Confident69.1Low78 Ų7899.8 Ų99.855%0.54554%0.537SS..Hα-helixtrans-63.5-42176.6-168.60000112.1A157 K158 L164 S165A157-S161 WeakPolarHBondContact O-CB 3.5Å; A157-S161 PolarHBondContact O-N 2.92Å; A157-S161 VanDerWaalsContact O-N 3.13Å; K158-S161 WeakPolarHBondContact O-CB 3.5Å; K158-S161 PolarHBondContact O-N 3.04Å; K158-S161 VanDerWaalsContact O-N 3.14Å; S161-L164 PolarHBondContact O-N 2.68Å; S161-S165 WeakPolarHBondContact O-CB 3.46Å; S161-S165 PolarHBondContact O-N 3.07Å
162Q80.1Confident69.9Low112 Ų112101.3 Ų101.352%0.52354%0.54SS..Hα-helixtrans-67.1-40.9175.4-171.961.76200111.7K158 D159 S165 N166K158-Q162 PolarHBondContact O-N 3.18Å; D159-Q162 PolarHBondContact O-N 2.86Å; Q162-S165 WeakPolarHBondContact O-CB 3.28Å; Q162-S165 PolarHBondContact O-N 3.38Å; Q162-N166 PolarHBondContact NE2-OD1 3.48Å; Q162-N166 VanDerWaalsContact O-CG 3.32Å; Q162-N166 PolarHBondContact O-N 2.81Å; Q162-N166 PolarHBondContact O-OD1 2.85Å; Q162-N166 VanDerWaalsContact O-OD1 3.07Å
163C78.8Confident70.9Confident64 Ų6497.6 Ų97.643%0.43254%0.535SS..Hα-helixtrans-60.5-47.3175-1750000111.6D159 L160 S165 N166 I167D159-C163 VanDerWaalsContact O-CB 3.25Å; D159-C163 WeakPolarHBondContact O-CB 3.41Å; D159-C163 PolarHBondContact O-N 3.16Å; L160-C163 PolarHBondContact O-N 3.21Å; C163-S165 VanDerWaalsContact C-N 3.32Å; C163-S165 PolarHBondContact O-N 3.48Å; C163-N166 PolarHBondContact O-N 2.94Å; C163-I167 VanDerWaalsContact O-CG1 3.32Å; C163-I167 WeakPolarHBondContact O-CG1 3.43Å; C163-I167 PolarHBondContact O-N 3.3Å
164L84Confident71.6Confident95 Ų9598.6 Ų98.650%0.49754%0.537SS..Hα-helixtrans-62.9-37.4174.6-70.5170.2000112.2L160 S161 I167 C168L160-L164 HydrophobicContact CG-CD1 4.2Å; L160-L164 WeakPolarHBondContact O-CB 3.19Å; L160-L164 VanDerWaalsContact O-CG 3.31Å; L160-L164 WeakPolarHBondContact O-CG 3.45Å; L160-L164 PolarHBondContact O-N 3.3Å; S161-L164 PolarHBondContact O-N 2.68Å; L164-I167 PolarHBondContact O-N 2.85Å; L164-C168 WeakPolarHBondContact O-CB 3.39Å; L164-C168 PolarHBondContact O-N 2.77Å; L164-C168 PolarHBondContact O-SG 3.38Å
165S81.5Confident72Confident61 Ų6199.4 Ų99.443%0.42754%0.543SS..Hα-helixtrans-63.4-42.5174.5-168.80000112S161 Q162 C163 S169S161-S165 WeakPolarHBondContact O-CB 3.46Å; S161-S165 PolarHBondContact O-N 3.07Å; Q162-S165 WeakPolarHBondContact O-CB 3.28Å; Q162-S165 PolarHBondContact O-N 3.38Å; C163-S165 VanDerWaalsContact C-N 3.32Å; C163-S165 PolarHBondContact O-N 3.48Å; S165-S169 WeakPolarHBondContact O-CB 3.4Å; S165-S169 PolarHBondContact O-N 3.32Å; S165-S169 PolarHBondContact O-OG 2.99Å
166N80.7Confident72.2Confident78 Ų7898.7 Ų98.742%0.41755%0.55SS.*Hα-helixtrans-64.2-48.6175.1-68.514.7000111.1Q162 C163 C168 S169 E170Q162-N166 PolarHBondContact NE2-OD1 3.48Å; Q162-N166 VanDerWaalsContact O-CG 3.32Å; Q162-N166 PolarHBondContact O-N 2.81Å; Q162-N166 PolarHBondContact O-OD1 2.85Å; Q162-N166 VanDerWaalsContact O-OD1 3.07Å; C163-N166 PolarHBondContact O-N 2.94Å; N166-C168 PolarHBondContact O-N 3.03Å; N166-S169 CarbonylContact O-C 3.58Å; N166-S169 WeakPolarHBondContact O-CA 3.38Å; N166-S169 WeakPolarHBondContact O-CB 3.37Å; N166-S169 PolarHBondContact O-N 3.33Å; N166-E170 PolarHBondContact O-N 3.35Å
167I82.1Confident72.2Confident73 Ų7399 Ų9937%0.37456%0.556SS.*Hα-helixtrans-59.8-43.5178.4-67.8163.8000111.2C163 L164 S169 E170 L171C163-I167 VanDerWaalsContact O-CG1 3.32Å; C163-I167 WeakPolarHBondContact O-CG1 3.43Å; C163-I167 PolarHBondContact O-N 3.3Å; L164-I167 PolarHBondContact O-N 2.85Å; I167-S169 VanDerWaalsContact C-N 3.27Å; I167-S169 PolarHBondContact O-N 2.88Å; I167-E170 PolarHBondContact O-N 3.36Å; I167-L171 HydrophobicContact CG2-CD1 3.86Å; I167-L171 HydrophobicContact CG2-CG 4.33Å; I167-L171 WeakPolarHBondContact O-CB 3.49Å; I167-L171 VanDerWaalsContact O-CG 3.27Å; I167-L171 WeakPolarHBondContact O-CG 3.04Å; I167-L171 PolarHBondContact O-N 3.39Å
168C80.1Confident72.6Confident72 Ų72103.7 Ų103.749%0.48657%0.569SS.*Hα-helixtrans-63.8-31.7174.4-73.20000113L164 N166 Q172L164-C168 WeakPolarHBondContact O-CB 3.39Å; L164-C168 PolarHBondContact O-N 2.77Å; L164-C168 PolarHBondContact O-SG 3.38Å; N166-C168 PolarHBondContact O-N 3.03Å; C168-Q172 WeakPolarHBondContact O-CG 3.39Å; C168-Q172 PolarHBondContact O-N 3.49Å
169S77.2Confident72.8Confident67 Ų67102.9 Ų102.947%0.46958%0.576SS.*Hα-helixtrans-72.8-41.3175.3-53.70000111.3S165 N166 I167 Q172 S173S165-S169 WeakPolarHBondContact O-CB 3.4Å; S165-S169 PolarHBondContact O-N 3.32Å; S165-S169 PolarHBondContact O-OG 2.99Å; N166-S169 CarbonylContact O-C 3.58Å; N166-S169 WeakPolarHBondContact O-CA 3.38Å; N166-S169 WeakPolarHBondContact O-CB 3.37Å; N166-S169 PolarHBondContact O-N 3.33Å; I167-S169 VanDerWaalsContact C-N 3.27Å; I167-S169 PolarHBondContact O-N 2.88Å; S169-Q172 PolarHBondContact O-N 2.79Å; S169-S173 PolarHBondContact O-N 3.37Å
170E78.2Confident72.8Confident118 Ų118104.4 Ų104.455%0.55159%0.59SS**Hα-helixtrans-64.1-45.9175.6-74.1172.2-171.900111N166 I167 Q172 S173 L174N166-E170 PolarHBondContact O-N 3.35Å; I167-E170 PolarHBondContact O-N 3.36Å; E170-Q172 PolarHBondContact O-N 3.38Å; E170-S173 WeakPolarHBondContact CA-OG 3.49Å; E170-S173 CarbonylContact O-C 3.54Å; E170-S173 WeakPolarHBondContact O-CA 3.36Å; E170-S173 PolarHBondContact O-N 2.94Å; E170-S173 PolarHBondContact O-OG 3.37Å; E170-L174 WeakPolarHBondContact O-CG 3.39Å; E170-L174 PolarHBondContact O-N 2.93Å
171L75.1Confident72.5Confident111 Ų111102.4 Ų102.458%0.58158%0.582SS**Hα-helixtrans-61.3-24.4174.1-72.4170.3000114I167 L174I167-L171 HydrophobicContact CG2-CD1 3.86Å; I167-L171 HydrophobicContact CG2-CG 4.33Å; I167-L171 WeakPolarHBondContact O-CB 3.49Å; I167-L171 VanDerWaalsContact O-CG 3.27Å; I167-L171 WeakPolarHBondContact O-CG 3.04Å; I167-L171 PolarHBondContact O-N 3.39Å; L171-L174 HydrophobicContact CD2-CD1 4.3Å
172Q68.4Low72.6Confident175 Ų175102.9 Ų102.982%0.81858%0.578SS**Hα-helixtrans-89.3-14.6172.4-74.1-179-4.900113.6C168 S169 E170C168-Q172 WeakPolarHBondContact O-CG 3.39Å; C168-Q172 PolarHBondContact O-N 3.49Å; S169-Q172 PolarHBondContact O-N 2.79Å; E170-Q172 PolarHBondContact O-N 3.38Å
173S70.4Confident72.9Confident92 Ų92105 Ų10564%0.64359%0.586SS**Hα-helixtrans-94.2-19.3173.674.10000113.6S169 E170 D175S169-S173 PolarHBondContact O-N 3.37Å; E170-S173 WeakPolarHBondContact CA-OG 3.49Å; E170-S173 CarbonylContact O-C 3.54Å; E170-S173 WeakPolarHBondContact O-CA 3.36Å; E170-S173 PolarHBondContact O-N 2.94Å; E170-S173 PolarHBondContact O-OG 3.37Å; S173-D175 PolarHBondContact O-N 3.39Å
174L65.9Low73.3Confident108 Ų108108 Ų10857%0.56559%0.593SS**SBendtrans-68.6112.2171.5-78.6169.5000109.3E170 L171 S176E170-L174 WeakPolarHBondContact O-CG 3.39Å; E170-L174 PolarHBondContact O-N 2.93Å; L171-L174 HydrophobicContact CD2-CD1 4.3Å; L174-S176 PolarHBondContact O-N 2.9Å; L174-S176 PolarHBondContact O-OG 3.28Å
175D58.1Low73.4Confident134 Ų134109.5 Ų109.572%0.71760%0.596SS**  trans-70.865.5178.7-164.47.9000111.3S173 L177S173-D175 PolarHBondContact O-N 3.39Å; D175-L177 PolarHBondContact O-N 2.9Å; D175-L177 VanDerWaalsContact OD1-CD1 3.3Å; D175-L177 WeakPolarHBondContact OD1-CD1 3.38Å; D175-L177 VanDerWaalsContact OD1-CG 3.25Å; D175-L177 WeakPolarHBondContact OD1-CG 3.48Å
176S57.7Low73.7Confident102 Ų102109.3 Ų109.371%0.71359%0.59SS**  trans-80.337.1-179.753.30000112L174 M178L174-S176 PolarHBondContact O-N 2.9Å; L174-S176 PolarHBondContact O-OG 3.28Å; S176-M178 PolarHBondContact O-N 3.46Å
177L53.3Low74.2Confident139 Ų139111.9 Ų111.973%0.72860%0.599SS**  trans-70.773.1168.9-69.3-179.1000110D175D175-L177 PolarHBondContact O-N 2.9Å; D175-L177 VanDerWaalsContact OD1-CD1 3.3Å; D175-L177 WeakPolarHBondContact OD1-CD1 3.38Å; D175-L177 VanDerWaalsContact OD1-CG 3.25Å; D175-L177 WeakPolarHBondContact OD1-CG 3.48Å
178M63.8Low74.6Confident156 Ų156114 Ų11477%0.76861%0.606SS**  trans-46.6128161.1-173.6-17676.600107.7S176 V180S176-M178 PolarHBondContact O-N 3.46Å; M178-V180 PolarHBondContact O-N 2.89Å
179P67.7Low75.1Confident101 Ų101114.4 Ų114.466%0.65660%0.603SS**  trans-50.5132.1-171.8-30.835.5000111.8V181P179-V181 VanDerWaalsContact C-N 3.26Å; P179-V181 PolarHBondContact O-N 3.19Å
180V68.1Low75.6Confident147 Ų147119.6 Ų119.689%0.89161%0.613SS**  trans-70.488178.6-177.50000108.2M178 D182M178-V180 PolarHBondContact O-N 2.89Å; V180-D182 PolarHBondContact O-N 3.43Å; V180-D182 VanDerWaalsContact O-N 3.08Å
181V73.2Confident76.2Confident68 Ų68117.8 Ų117.841%0.41261%0.61SS.*  trans-67.3106.5177.2179.10000108.2P179 F183 L186P179-V181 VanDerWaalsContact C-N 3.26Å; P179-V181 PolarHBondContact O-N 3.19Å; V181-F183 VanDerWaalsContact C-N 3.3Å; V181-F183 HydrophobicContact CB-CE1 4.44Å; V181-F183 HydrophobicContact CB-CE2 4.49Å; V181-F183 HydrophobicContact CB-CZ 4.29Å; V181-F183 HydrophobicContact CG1-CD1 4.05Å; V181-F183 HydrophobicContact CG1-CE1 4.04Å; V181-F183 HydrophobicContact CG1-CG 4.4Å; V181-F183 HydrophobicContact CG1-CZ 4.38Å; V181-F183 VanDerWaalsContact O-CD2 3.23Å; V181-F183 WeakPolarHBondContact O-CD2 3.4Å; V181-F183 PolarHBondContact O-N 3.11Å; V181-L186 HydrophobicContact CG1-CD2 3.95Å
182D80.5Confident77Confident87 Ų87118.3 Ų118.347%0.46561%0.607SS.*  trans-66.693.9163.7178.9-6.6000108.5V180 E184 K185 L186V180-D182 PolarHBondContact O-N 3.43Å; V180-D182 VanDerWaalsContact O-N 3.08Å; D182-E184 PolarHBondContact O-N 3.4Å; D182-E184 WeakPolarHBondContact OD1-CA 3.37Å; D182-E184 WeakPolarHBondContact OD1-CB 3.38Å; D182-E184 PolarHBondContact OD1-N 2.93Å; D182-K185 HydrophobicContact CB-CB 3.98Å; D182-K185 PolarHBondContact O-N 3.22Å; D182-K185 PolarHBondContact OD1-N 2.72Å; D182-K185 WeakPolarHBondContact OD2-CB 3.23Å; D182-L186 PolarHBondContact O-N 3.47Å
183F87Confident78Confident158 Ų158112.9 Ų112.969%0.69359%0.592SS**Hα-helixtrans-60.6-29.9178.3-66.6-77000112.4V181 L186 E187V181-F183 VanDerWaalsContact C-N 3.3Å; V181-F183 HydrophobicContact CB-CE1 4.44Å; V181-F183 HydrophobicContact CB-CE2 4.49Å; V181-F183 HydrophobicContact CB-CZ 4.29Å; V181-F183 HydrophobicContact CG1-CD1 4.05Å; V181-F183 HydrophobicContact CG1-CE1 4.04Å; V181-F183 HydrophobicContact CG1-CG 4.4Å; V181-F183 HydrophobicContact CG1-CZ 4.38Å; V181-F183 VanDerWaalsContact O-CD2 3.23Å; V181-F183 WeakPolarHBondContact O-CD2 3.4Å; V181-F183 PolarHBondContact O-N 3.11Å; F183-L186 PolarHBondContact O-N 2.68Å; F183-E187 WeakPolarHBondContact O-CB 3.45Å; F183-E187 PolarHBondContact O-N 3.36Å
184E86.5Confident79Confident125 Ų125111.4 Ų111.458%0.58459%0.585SS**Hα-helixtrans-71.3-38.7176.5-56.1-169-173.400111.5D182 K188D182-E184 PolarHBondContact O-N 3.4Å; D182-E184 WeakPolarHBondContact OD1-CA 3.37Å; D182-E184 WeakPolarHBondContact OD1-CB 3.38Å; D182-E184 PolarHBondContact OD1-N 2.93Å; E184-K188 VanDerWaalsContact CB-NZ 3.29Å; E184-K188 WeakPolarHBondContact O-CB 3.41Å; E184-K188 WeakPolarHBondContact O-CD 3.44Å; E184-K188 WeakPolarHBondContact O-CE 3.35Å; E184-K188 WeakPolarHBondContact O-CG 3.19Å; E184-K188 PolarHBondContact O-N 2.87Å; E184-K188 IonicContact OE2-NZ 3.36Å; E184-K188 PolarHBondContact OE2-NZ 3.14Å
185K85.2Confident80.2Confident127 Ų127112.4 Ų112.455%0.55259%0.587SS**Hα-helixtrans-64.9-45173.4-175.1-177.4177-174.10110.8D182 E187 K188 D189D182-K185 HydrophobicContact CB-CB 3.98Å; D182-K185 PolarHBondContact O-N 3.22Å; D182-K185 PolarHBondContact OD1-N 2.72Å; D182-K185 WeakPolarHBondContact OD2-CB 3.23Å; K185-E187 VanDerWaalsContact C-N 3.34Å; K185-E187 PolarHBondContact O-N 2.69Å; K185-K188 PolarHBondContact O-N 2.89Å; K185-D189 PolarHBondContact O-N 3.45Å
186L87.6Confident81.8Confident58 Ų58109.5 Ų109.530%0.30457%0.572SS.*Hα-helixtrans-60.7-42.5178.3-173.362.4000111.9V181 D182 F183 D189 W190V181-L186 HydrophobicContact CG1-CD2 3.95Å; D182-L186 PolarHBondContact O-N 3.47Å; F183-L186 PolarHBondContact O-N 2.68Å; L186-D189 PolarHBondContact O-N 3.33Å; L186-W190 HydrophobicContact CD1-CZ2 3.99Å; L186-W190 HydrophobicContact CD2-CH2 4.11Å; L186-W190 HydrophobicContact CD2-CZ2 3.75Å; L186-W190 HydrophobicContact CG-CD2 4.26Å; L186-W190 HydrophobicContact CG-CH2 4.37Å; L186-W190 HydrophobicContact CG-CZ2 3.78Å; L186-W190 WeakPolarHBondContact O-CB 3.25Å; L186-W190 VanDerWaalsContact O-CG 3.26Å; L186-W190 PolarHBondContact O-N 2.98Å
187E91.8Very high83.2Confident131 Ų131113.4 Ų113.461%0.61257%0.571SS**Hα-helixtrans-63.7-44.2174.4-175.1173.7-143.200111.9F183 K185 D189 W190 V191F183-E187 WeakPolarHBondContact O-CB 3.45Å; F183-E187 PolarHBondContact O-N 3.36Å; K185-E187 VanDerWaalsContact C-N 3.34Å; K185-E187 PolarHBondContact O-N 2.69Å; E187-D189 PolarHBondContact O-N 3.29Å; E187-W190 PolarHBondContact O-N 3.24Å; E187-V191 WeakPolarHBondContact O-CG2 3.4Å; E187-V191 PolarHBondContact O-N 3.48Å
188K91.1Very high85Confident118 Ų118110.8 Ų110.851%0.51356%0.555SS.*Hα-helixtrans-59.9-43.6175.8-70.2156.5-159.71580111.6E184 K185 K192E184-K188 VanDerWaalsContact CB-NZ 3.29Å; E184-K188 WeakPolarHBondContact O-CB 3.41Å; E184-K188 WeakPolarHBondContact O-CD 3.44Å; E184-K188 WeakPolarHBondContact O-CE 3.35Å; E184-K188 WeakPolarHBondContact O-CG 3.19Å; E184-K188 PolarHBondContact O-N 2.87Å; E184-K188 IonicContact OE2-NZ 3.36Å; E184-K188 PolarHBondContact OE2-NZ 3.14Å; K185-K188 PolarHBondContact O-N 2.89Å; K188-K192 WeakPolarHBondContact O-CB 3.05Å; K188-K192 PolarHBondContact O-N 3.4Å
189D90Very high86Confident81 Ų81107 Ų10743%0.43354%0.536SS..Hα-helixtrans-67.8-36.6177.3-77.3-31000112.1K185 L186 E187 A193K185-D189 PolarHBondContact O-N 3.45Å; L186-D189 PolarHBondContact O-N 3.33Å; E187-D189 PolarHBondContact O-N 3.29Å; D189-A193 VanDerWaalsContact O-CB 3.31Å; D189-A193 WeakPolarHBondContact O-CB 3.23Å; D189-A193 PolarHBondContact O-N 3.01Å
190W89.1Confident86.9Confident176 Ų176105.7 Ų105.767%0.66753%0.526SS*.Hα-helixtrans-68.5-42.4174.3-71.6-1000113.2L186 E187 A193 A194L186-W190 HydrophobicContact CD1-CZ2 3.99Å; L186-W190 HydrophobicContact CD2-CH2 4.11Å; L186-W190 HydrophobicContact CD2-CZ2 3.75Å; L186-W190 HydrophobicContact CG-CD2 4.26Å; L186-W190 HydrophobicContact CG-CH2 4.37Å; L186-W190 HydrophobicContact CG-CZ2 3.78Å; L186-W190 WeakPolarHBondContact O-CB 3.25Å; L186-W190 VanDerWaalsContact O-CG 3.26Å; L186-W190 PolarHBondContact O-N 2.98Å; E187-W190 PolarHBondContact O-N 3.24Å; W190-A193 PolarHBondContact O-N 3.16Å; W190-A194 PolarHBondContact O-N 3.31Å
191V90.8Very high87.8Confident80 Ų80102.8 Ų102.849%0.48550%0.503SS..Hα-helixtrans-60.1-48.4174.1169.10000110.1E187 A193 A194 E195E187-V191 WeakPolarHBondContact O-CG2 3.4Å; E187-V191 PolarHBondContact O-N 3.48Å; V191-A193 PolarHBondContact O-N 3.34Å; V191-A194 WeakPolarHBondContact O-CB 3.35Å; V191-A194 PolarHBondContact O-N 3.12Å; V191-A194 VanDerWaalsContact O-N 3.16Å; V191-E195 PolarHBondContact O-N 3.31Å
192K91.3Very high88.5Confident122 Ų122105 Ų10553%0.5350%0.504SS..Hα-helixtrans-59.9-44.4177-176.3-176.1172.5-168.50112.3K188 A194 E195 D196K188-K192 WeakPolarHBondContact O-CB 3.05Å; K188-K192 PolarHBondContact O-N 3.4Å; K192-A194 VanDerWaalsContact C-N 3.28Å; K192-A194 PolarHBondContact O-N 2.88Å; K192-E195 PolarHBondContact O-N 3.02Å; K192-D196 PolarHBondContact O-N 3.31Å
193A90Very high88.8Confident60 Ų60108.8 Ų108.850%0.49651%0.511SS..Hα-helixtrans-62.9-33.1176.900000112.8D189 W190 V191 R197D189-A193 VanDerWaalsContact O-CB 3.31Å; D189-A193 WeakPolarHBondContact O-CB 3.23Å; D189-A193 PolarHBondContact O-N 3.01Å; W190-A193 PolarHBondContact O-N 3.16Å; V191-A193 PolarHBondContact O-N 3.34Å; A193-R197 WeakPolarHBondContact O-CB 3.43Å; A193-R197 PolarHBondContact O-N 2.89Å
194A91Very high88.7Confident61 Ų61106.9 Ų106.950%0.50451%0.505SS..Hα-helixtrans-69.3-43.5173.300000112.1W190 V191 K192 R197 E198W190-A194 PolarHBondContact O-N 3.31Å; V191-A194 WeakPolarHBondContact O-CB 3.35Å; V191-A194 PolarHBondContact O-N 3.12Å; V191-A194 VanDerWaalsContact O-N 3.16Å; K192-A194 VanDerWaalsContact C-N 3.28Å; K192-A194 PolarHBondContact O-N 2.88Å; A194-R197 PolarHBondContact O-N 3.32Å; A194-E198 PolarHBondContact O-N 3.28Å
195E90.7Very high88.6Confident129 Ų129106.7 Ų106.760%0.60350%0.499SS*.Hα-helixtrans-62.7-46175.1-70-172.516300112.2V191 K192 R197 E198 M199V191-E195 PolarHBondContact O-N 3.31Å; K192-E195 PolarHBondContact O-N 3.02Å; E195-R197 VanDerWaalsContact C-N 3.34Å; E195-R197 PolarHBondContact O-N 3.36Å; E195-E198 PolarHBondContact O-N 3.23Å; E195-M199 PolarHBondContact O-N 2.75Å
196D91.4Very high88.6Confident74 Ų74106.5 Ų106.540%0.39650%0.501SS..Hα-helixtrans-61.8-40.8176.6-85.6-33.5000111.3K192 E198 M199 V200K192-D196 PolarHBondContact O-N 3.31Å; D196-E198 VanDerWaalsContact C-N 3.33Å; D196-E198 PolarHBondContact O-N 3.06Å; D196-M199 WeakPolarHBondContact O-CB 3.35Å; D196-M199 PolarHBondContact O-N 3.42Å; D196-V200 WeakPolarHBondContact O-CG2 3.43Å; D196-V200 PolarHBondContact O-N 3.31Å
197R88.4Confident88.4Confident184 Ų184106.9 Ų106.969%0.69451%0.509SS*.Hα-helixtrans-61.3-40.6174.4-170.2179.7-173.2-167.92.9111.9A193 A194 E195 Q201A193-R197 WeakPolarHBondContact O-CB 3.43Å; A193-R197 PolarHBondContact O-N 2.89Å; A194-R197 PolarHBondContact O-N 3.32Å; E195-R197 VanDerWaalsContact C-N 3.34Å; E195-R197 PolarHBondContact O-N 3.36Å; R197-Q201 WeakPolarHBondContact O-CG 3.46Å; R197-Q201 PolarHBondContact O-N 2.61Å; R197-Q201 VanDerWaalsContact O-N 3.13Å
198E89.2Confident88Confident84 Ų84104.3 Ų104.339%0.39350%0.497SS..Hα-helixtrans-70.6-36175.5-148.7-152.3164.200111.9A194 E195 D196 Q201 R202A194-E198 PolarHBondContact O-N 3.28Å; E195-E198 PolarHBondContact O-N 3.23Å; D196-E198 VanDerWaalsContact C-N 3.33Å; D196-E198 PolarHBondContact O-N 3.06Å; E198-Q201 PolarHBondContact O-N 3.4Å; E198-R202 WeakPolarHBondContact O-CG 3.28Å; E198-R202 PolarHBondContact O-N 2.96Å; E198-R202 IonicContact OE1-CZ 2.64Å; E198-R202 IonicContact OE1-NE 3.94Å; E198-R202 IonicContact OE1-NH1 2.7Å; E198-R202 IonicContact OE1-NH2 3.47Å; E198-R202 PolarHBondContact OE1-NH2 3.09Å; E198-R202 IonicContact OE2-CZ 3.54Å; E198-R202 IonicContact OE2-NH1 3.96Å; E198-R202 PolarHBondContact OE2-NH1 3.44Å; E198-R202 IonicContact OE2-NH2 2.65Å; E198-R202 PolarHBondContact OE2-NH2 3.08Å
199M85.6Confident87.5Confident75 Ų75103.7 Ų103.737%0.36950%0.496SS..Hα-helixtrans-63.2-42.9174.3-160.1-159.4-50.600111.5E195 D196 R202 R203E195-M199 PolarHBondContact O-N 2.75Å; D196-M199 WeakPolarHBondContact O-CB 3.35Å; D196-M199 PolarHBondContact O-N 3.42Å; M199-R202 PolarHBondContact O-N 3.07Å; M199-R203 WeakPolarHBondContact O-CG 3.18Å; M199-R203 PolarHBondContact O-N 2.79Å; M199-R203 PolarHBondContact SD-NH2 3.42Å
200V87.5Confident87.1Confident74 Ų74103.6 Ų103.645%0.44850%0.498SS..Hα-helixtrans-61.2-45174.6169.90000110.8D196 R202 R203 Q204D196-V200 WeakPolarHBondContact O-CG2 3.43Å; D196-V200 PolarHBondContact O-N 3.31Å; V200-R202 VanDerWaalsContact C-N 3.33Å; V200-R202 PolarHBondContact O-N 2.87Å; V200-R203 PolarHBondContact O-N 3.12Å; V200-Q204 HydrophobicContact CG1-CG 4.38Å; V200-Q204 WeakPolarHBondContact O-CB 3.36Å; V200-Q204 WeakPolarHBondContact O-CG 3.4Å; V200-Q204 PolarHBondContact O-N 3.33Å
201Q87.3Confident87Confident86 Ų86103 Ų10340%0.40250%0.496SS..Hα-helixtrans-62.9-35.9175.2-71.2178.228.600113.1R197 E198 R205R197-Q201 WeakPolarHBondContact O-CG 3.46Å; R197-Q201 PolarHBondContact O-N 2.61Å; R197-Q201 VanDerWaalsContact O-N 3.13Å; E198-Q201 PolarHBondContact O-N 3.4Å; Q201-R205 WeakPolarHBondContact O-CB 3.28Å; Q201-R205 PolarHBondContact O-N 2.87Å; Q201-R205 PolarHBondContact O-NE 2.7Å
202R87.5Confident86.6Confident116 Ų116103.9 Ų103.944%0.43849%0.49SS..Hα-helixtrans-65.1-45172.1-72.4179-177.5108.1-1.8111.2E198 M199 V200 R205 M206E198-R202 WeakPolarHBondContact O-CG 3.28Å; E198-R202 PolarHBondContact O-N 2.96Å; E198-R202 IonicContact OE1-CZ 2.64Å; E198-R202 IonicContact OE1-NE 3.94Å; E198-R202 IonicContact OE1-NH1 2.7Å; E198-R202 IonicContact OE1-NH2 3.47Å; E198-R202 PolarHBondContact OE1-NH2 3.09Å; E198-R202 IonicContact OE2-CZ 3.54Å; E198-R202 IonicContact OE2-NH1 3.96Å; E198-R202 PolarHBondContact OE2-NH1 3.44Å; E198-R202 IonicContact OE2-NH2 2.65Å; E198-R202 PolarHBondContact OE2-NH2 3.08Å; M199-R202 PolarHBondContact O-N 3.07Å; V200-R202 VanDerWaalsContact C-N 3.33Å; V200-R202 PolarHBondContact O-N 2.87Å; R202-R205 PolarHBondContact O-N 2.83Å; R202-M206 WeakPolarHBondContact O-CG 3.47Å; R202-M206 PolarHBondContact O-N 2.81Å
203R87Confident86.2Confident165 Ų165107.6 Ų107.662%0.62350%0.501SS*.Hα-helixtrans-62-43176.5-70.5178.9-170.1-150.87.6111.8M199 V200 M206 S207M199-R203 WeakPolarHBondContact O-CG 3.18Å; M199-R203 PolarHBondContact O-N 2.79Å; M199-R203 PolarHBondContact SD-NH2 3.42Å; V200-R203 PolarHBondContact O-N 3.12Å; R203-M206 PolarHBondContact O-N 3.28Å; R203-S207 VanDerWaalsContact O-CB 3.3Å; R203-S207 WeakPolarHBondContact O-CB 3.46Å; R203-S207 PolarHBondContact O-N 2.87Å
204Q84.7Confident85.8Confident119 Ų119111.3 Ų111.356%0.55651%0.512SS*.Hα-helixtrans-59.7-52.6174.6-75.8172.3-23.300111V200 M206 S207 E208V200-Q204 HydrophobicContact CG1-CG 4.38Å; V200-Q204 WeakPolarHBondContact O-CB 3.36Å; V200-Q204 WeakPolarHBondContact O-CG 3.4Å; V200-Q204 PolarHBondContact O-N 3.33Å; Q204-M206 VanDerWaalsContact C-N 3.29Å; Q204-M206 PolarHBondContact O-N 2.92Å; Q204-S207 PolarHBondContact O-N 3.47Å; Q204-S207 VanDerWaalsContact O-N 3.16Å; Q204-E208 WeakPolarHBondContact O-CB 3.25Å; Q204-E208 PolarHBondContact O-N 3.31Å
205R83.2Confident85.3Confident120 Ų120111.8 Ų111.845%0.45352%0.516SS..Hα-helixtrans-58-36.8176.6-82.1179-80.1130.8-11113.6Q201 R202 Q209Q201-R205 WeakPolarHBondContact O-CB 3.28Å; Q201-R205 PolarHBondContact O-N 2.87Å; Q201-R205 PolarHBondContact O-NE 2.7Å; R202-R205 PolarHBondContact O-N 2.83Å; R205-Q209 WeakPolarHBondContact O-CB 3.49Å; R205-Q209 VanDerWaalsContact O-CG 3.28Å; R205-Q209 WeakPolarHBondContact O-CG 3.49Å; R205-Q209 PolarHBondContact O-N 3.19Å
206M85Confident84Confident123 Ų123113.9 Ų113.961%0.60653%0.528SS*.Hα-helixtrans-73.6-41.6174.8-68.6-157.4-53.400112.7R202 R203 Q204 E208 Q209 V210R202-M206 WeakPolarHBondContact O-CG 3.47Å; R202-M206 PolarHBondContact O-N 2.81Å; R203-M206 PolarHBondContact O-N 3.28Å; Q204-M206 VanDerWaalsContact C-N 3.29Å; Q204-M206 PolarHBondContact O-N 2.92Å; M206-E208 VanDerWaalsContact C-N 3.29Å; M206-E208 PolarHBondContact O-N 3.12Å; M206-Q209 PolarHBondContact O-N 3.46Å; M206-V210 WeakPolarHBondContact O-CB 3.24Å; M206-V210 WeakPolarHBondContact O-CG2 3.31Å; M206-V210 PolarHBondContact O-N 2.94Å
207S83.8Confident82.6Confident67 Ų67115.5 Ų115.547%0.46953%0.533SS..Hα-helixtrans-60.7-40.5175.3179.60000111.4R203 Q204 V210 R211R203-S207 VanDerWaalsContact O-CB 3.3Å; R203-S207 WeakPolarHBondContact O-CB 3.46Å; R203-S207 PolarHBondContact O-N 2.87Å; Q204-S207 PolarHBondContact O-N 3.47Å; Q204-S207 VanDerWaalsContact O-N 3.16Å; S207-V210 PolarHBondContact O-N 2.9Å; S207-R211 WeakPolarHBondContact O-CB 3.42Å; S207-R211 PolarHBondContact O-N 3.09Å
208E82.9Confident81.1Confident76 Ų76115.5 Ų115.536%0.35554%0.541SS..Hα-helixtrans-66.7-48.6174.8-164.2-171.2167.200111.4Q204 M206 V210 R211 R212Q204-E208 WeakPolarHBondContact O-CB 3.25Å; Q204-E208 PolarHBondContact O-N 3.31Å; M206-E208 VanDerWaalsContact C-N 3.29Å; M206-E208 PolarHBondContact O-N 3.12Å; E208-V210 PolarHBondContact O-N 3.41Å; E208-R211 WeakPolarHBondContact O-CA 3.49Å; E208-R211 WeakPolarHBondContact O-CB 3.14Å; E208-R211 PolarHBondContact O-N 2.85Å; E208-R212 WeakPolarHBondContact O-CG 3.4Å; E208-R212 PolarHBondContact O-N 2.93Å; E208-R212 IonicContact OE1-CZ 3.73Å; E208-R212 IonicContact OE1-NE 2.72Å; E208-R212 PolarHBondContact OE1-NE 3.4Å; E208-R212 IonicContact OE1-NH2 3.22Å; E208-R212 PolarHBondContact OE1-NH2 3.07Å
209Q81.6Confident79.2Confident106 Ų106118 Ų11850%0.49555%0.551SS.*Hα-helixtrans-57.9-34.7173.5-77.11783200113R205 M206 R213R205-Q209 WeakPolarHBondContact O-CB 3.49Å; R205-Q209 VanDerWaalsContact O-CG 3.28Å; R205-Q209 WeakPolarHBondContact O-CG 3.49Å; R205-Q209 PolarHBondContact O-N 3.19Å; M206-Q209 PolarHBondContact O-N 3.46Å; Q209-R213 WeakPolarHBondContact O-CB 3.27Å; Q209-R213 WeakPolarHBondContact O-CD 3.41Å; Q209-R213 WeakPolarHBondContact O-CG 3.42Å; Q209-R213 PolarHBondContact O-N 3.06Å; Q209-R213 VanDerWaalsContact O-N 3.12Å
210V81Confident77.5Confident79 Ų79122.5 Ų122.548%0.47958%0.576SS.*Hα-helixtrans-67.8-43.7171.9168.20000110.7M206 S207 E208 R213 L214M206-V210 WeakPolarHBondContact O-CB 3.24Å; M206-V210 WeakPolarHBondContact O-CG2 3.31Å; M206-V210 PolarHBondContact O-N 2.94Å; S207-V210 PolarHBondContact O-N 2.9Å; E208-V210 PolarHBondContact O-N 3.41Å; V210-R213 PolarHBondContact O-N 3.37Å; V210-L214 HydrophobicContact CG1-CD1 3.76Å; V210-L214 HydrophobicContact CG1-CG 4.29Å; V210-L214 WeakPolarHBondContact O-CB 3.3Å; V210-L214 VanDerWaalsContact O-CG 3.28Å; V210-L214 WeakPolarHBondContact O-CG 3.27Å; V210-L214 PolarHBondContact O-N 2.8Å
211R86.7Confident75.8Confident164 Ų164126.2 Ų126.262%0.61959%0.586SS**Hα-helixtrans-58.5-49.5176.2-166.7-174-59.4154.12.3111.9S207 E208 R213 L214 A215S207-R211 WeakPolarHBondContact O-CB 3.42Å; S207-R211 PolarHBondContact O-N 3.09Å; E208-R211 WeakPolarHBondContact O-CA 3.49Å; E208-R211 WeakPolarHBondContact O-CB 3.14Å; E208-R211 PolarHBondContact O-N 2.85Å; R211-R213 PolarHBondContact O-N 3.42Å; R211-L214 PolarHBondContact O-N 3.48Å; R211-L214 VanDerWaalsContact O-N 3.14Å; R211-A215 WeakPolarHBondContact O-CB 3.49Å; R211-A215 PolarHBondContact O-N 3.31Å
212R83.1Confident73.5Confident98 Ų98128.3 Ų128.337%0.3761%0.607SS.*Hα-helixtrans-59.8-43.9176.9-55.8-161.6-166.3-160.64.2111.8E208 L214 A215 M216 E217E208-R212 WeakPolarHBondContact O-CG 3.4Å; E208-R212 PolarHBondContact O-N 2.93Å; E208-R212 IonicContact OE1-CZ 3.73Å; E208-R212 IonicContact OE1-NE 2.72Å; E208-R212 PolarHBondContact OE1-NE 3.4Å; E208-R212 IonicContact OE1-NH2 3.22Å; E208-R212 PolarHBondContact OE1-NH2 3.07Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-L214 PolarHBondContact O-N 3.02Å; R212-A215 PolarHBondContact O-N 2.7Å; R212-M216 PolarHBondContact O-N 3.35Å; R212-E217 HydrophobicContact CB-CB 4.28Å; R212-E217 VanDerWaalsContact CB-OE2 3.23Å; R212-E217 WeakPolarHBondContact CB-OE2 3.42Å; R212-E217 VanDerWaalsContact CD-OE2 3.25Å; R212-E217 WeakPolarHBondContact CD-OE2 3.4Å; R212-E217 WeakPolarHBondContact CG-OE2 3.48Å; R212-E217 IonicContact NH1-OE1 3.87Å; R212-E217 WeakPolarHBondContact O-CB 3.48Å; R212-E217 PolarHBondContact O-N 2.73Å; R212-E217 VanDerWaalsContact O-N 3.16Å
213R83.5Confident71.2Confident199 Ų199125.8 Ų125.875%0.75162%0.617SS**Hα-helixtrans-64.4-30.5174.8-74.6173.9-175.1-165.64.7114.1Q209 V210 R211Q209-R213 WeakPolarHBondContact O-CB 3.27Å; Q209-R213 WeakPolarHBondContact O-CD 3.41Å; Q209-R213 WeakPolarHBondContact O-CG 3.42Å; Q209-R213 PolarHBondContact O-N 3.06Å; Q209-R213 VanDerWaalsContact O-N 3.12Å; V210-R213 PolarHBondContact O-N 3.37Å; R211-R213 PolarHBondContact O-N 3.42Å
214L80.8Confident69Low138 Ų138130.1 Ų130.172%0.72363%0.634SS**Hα-helixtrans-79-36.7175.9-73.6170.3000111.9V210 R211 R212 M216V210-L214 HydrophobicContact CG1-CD1 3.76Å; V210-L214 HydrophobicContact CG1-CG 4.29Å; V210-L214 WeakPolarHBondContact O-CB 3.3Å; V210-L214 VanDerWaalsContact O-CG 3.28Å; V210-L214 WeakPolarHBondContact O-CG 3.27Å; V210-L214 PolarHBondContact O-N 2.8Å; R211-L214 PolarHBondContact O-N 3.48Å; R211-L214 VanDerWaalsContact O-N 3.14Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-L214 PolarHBondContact O-N 3.02Å; L214-M216 PolarHBondContact O-N 2.94Å; L214-M216 VanDerWaalsContact O-N 3.16Å
215A80.1Confident66.8Low72 Ų72132.6 Ų132.660%0.59565%0.65SS**THydrogen-bonded Turntrans-71.60.7178.200000114.3R211 R212 E217R211-A215 WeakPolarHBondContact O-CB 3.49Å; R211-A215 PolarHBondContact O-N 3.31Å; R212-A215 PolarHBondContact O-N 2.7Å; A215-E217 PolarHBondContact O-N 3.44Å
216M64.8Low64.9Low173 Ų173132.4 Ų132.485%0.85267%0.667SS**THydrogen-bonded Turntrans54.828.2-170.7-55.9-167.368.500113.6R212 L214 E218R212-M216 PolarHBondContact O-N 3.35Å; L214-M216 PolarHBondContact O-N 2.94Å; L214-M216 VanDerWaalsContact O-N 3.16Å; M216-E218 VanDerWaalsContact C-N 3.27Å; M216-E218 PolarHBondContact O-N 2.72Å
217E60.1Low62.7Low108 Ų108136.5 Ų136.551%0.50568%0.682SS.*  trans-70.783.8173.8-167.6-170.7164.500108.7R212 A215R212-E217 HydrophobicContact CB-CB 4.28Å; R212-E217 VanDerWaalsContact CB-OE2 3.23Å; R212-E217 WeakPolarHBondContact CB-OE2 3.42Å; R212-E217 VanDerWaalsContact CD-OE2 3.25Å; R212-E217 WeakPolarHBondContact CD-OE2 3.4Å; R212-E217 WeakPolarHBondContact CG-OE2 3.48Å; R212-E217 IonicContact NH1-OE1 3.87Å; R212-E217 WeakPolarHBondContact O-CB 3.48Å; R212-E217 PolarHBondContact O-N 2.73Å; R212-E217 VanDerWaalsContact O-N 3.16Å; A215-E217 PolarHBondContact O-N 3.44Å
218E57.9Low60.6Low184 Ų184145 Ų14586%0.8670%0.703SS**  trans-64.9133.3175.6-174154.7-153.400109.4M216 D220M216-E218 VanDerWaalsContact C-N 3.27Å; M216-E218 PolarHBondContact O-N 2.72Å; E218-D220 PolarHBondContact O-N 2.82Å; E218-D220 VanDerWaalsContact O-N 3.11Å
219F49.5Very low58.5Low137 Ų137149.3 Ų149.360%0.60172%0.724SS**  trans-77107.3-163.5-150.1-63.9000110.1K221F219-K221 VanDerWaalsContact C-N 3.29Å; F219-K221 HydrophobicContact CD1-CB 4.09Å; F219-K221 HydrophobicContact CD1-CD 3.73Å; F219-K221 HydrophobicContact CD1-CG 3.8Å; F219-K221 HydrophobicContact CE1-CD 3.63Å; F219-K221 HydrophobicContact CE1-CG 3.91Å; F219-K221 PolarHBondContact O-N 2.86Å
220D50.1Low56.7Low168 Ų168151.9 Ų151.990%0.89874%0.735SS**  trans-63.991.8171.7-112.4-29.8000110.1E218E218-D220 PolarHBondContact O-N 2.82Å; E218-D220 VanDerWaalsContact O-N 3.11Å
221K50.5Low54.9Low153 Ų153158.7 Ų158.767%0.66575%0.754SS**  trans-138.1121.4174-105.8177.5180166.40108.4F219 G223F219-K221 VanDerWaalsContact C-N 3.29Å; F219-K221 HydrophobicContact CD1-CB 4.09Å; F219-K221 HydrophobicContact CD1-CD 3.73Å; F219-K221 HydrophobicContact CD1-CG 3.8Å; F219-K221 HydrophobicContact CE1-CD 3.63Å; F219-K221 HydrophobicContact CE1-CG 3.91Å; F219-K221 PolarHBondContact O-N 2.86Å; K221-G223 PolarHBondContact O-N 3.38Å
222P40.5Very low52.9Low130 Ų130162.8 Ų162.884%0.84477%0.769SS**  trans-69.2134.9-167.426-34.7000112.7
223G38.2Very low51.4Low63 Ų63162.1 Ų162.165%0.64978%0.78SS**  trans87.751.3143.100000119.1K221K221-G223 PolarHBondContact O-N 3.38Å
224W41.7Very low50Low255 Ų255156.4 Ų156.497%0.96677%0.77SS**  trans-12579.8158.3-77.197.1000113.1S226W224-S226 PolarHBondContact O-N 3.16Å
225L38.3Very low49Very low171 Ų171157.4 Ų157.490%0.89577%0.769SS**  trans-64.2109.2172.9-70.1166.7000111.6
226S41.8Very low48.2Very low116 Ų116155.6 Ų155.681%0.81176%0.757SS**  trans-159.988.7157.8-90.50000115.3W224 R228W224-S226 PolarHBondContact O-N 3.16Å; S226-R228 PolarHBondContact O-N 2.83Å
227K39Very low48Very low210 Ų210150.4 Ų150.491%0.91374%0.738SS**  trans18.997.2142.5-63.1177.5178.9177.20117
228R41.5Very low48Very low244 Ų244154.6 Ų154.692%0.92175%0.749SS**  trans-15180.9144.1-144171.7-65.6-153.73.5112.8S226S226-R228 PolarHBondContact O-N 2.83Å
229Q38.6Very low48.1Very low168 Ų168150.9 Ų150.979%0.78574%0.735SS**  trans-66.3177.5160.4-70.1178.5-67.400110.7
230H43.7Very low48.5Very low159 Ų159152.1 Ų152.174%0.73674%0.742SS**  trans100.8120.1167.6-51.4-65.2000117.3
231Y42.3Very low49Very low222 Ų222151.4 Ų151.487%0.87174%0.737SS**  trans54.674.2162.1-59.1-70000118.8
232R45.3Very low49Very low250 Ų250145.9 Ų145.994%0.94372%0.724SS**  trans-81.1111139.9-76.5-75.8175.9157.5-0.6108.3
233S50.6Low49.7Very low85 Ų85148 Ų14859%0.59473%0.725SS**  trans-71.8148.2169.746.50000110.6
234S55.2Low50.8Low78 Ų78152.6 Ų152.655%0.54574%0.735SS.*  trans-60.4143.1-177.9179.60000111.9G236 S237S234-G236 PolarHBondContact O-N 3.41Å; S234-G236 PolarHBondContact OG-N 3.28Å; S234-S237 WeakPolarHBondContact O-CB 3.47Å; S234-S237 PolarHBondContact O-N 3.15Å
235F59.4Low51.6Low160 Ų160147.4 Ų147.470%0.70273%0.725SS**Hα-helixtrans-54.2-39.9175.6-175.1-113.2000111.9S237 R238 L239F235-S237 VanDerWaalsContact C-N 3.29Å; F235-S237 PolarHBondContact O-N 3.49Å; F235-R238 PolarHBondContact O-N 3.36Å; F235-L239 HydrophobicContact CD1-CD1 3.86Å; F235-L239 HydrophobicContact CE1-CD1 3.72Å; F235-L239 HydrophobicContact CE1-CG 4.41Å; F235-L239 HydrophobicContact CZ-CD1 4.43Å; F235-L239 PolarHBondContact O-N 2.99Å
236G63.1Low52.9Low33 Ų33148.3 Ų148.334%0.3473%0.725SS.*Hα-helixtrans-60-34.2175.800000114.1S234 R238 L239 Q240S234-G236 PolarHBondContact O-N 3.41Å; S234-G236 PolarHBondContact OG-N 3.28Å; G236-R238 VanDerWaalsContact C-N 3.26Å; G236-R238 PolarHBondContact O-N 2.88Å; G236-L239 PolarHBondContact O-N 3.24Å; G236-Q240 PolarHBondContact O-N 3.16Å
237S59.7Low53.8Low64 Ų64148.3 Ų148.345%0.44872%0.72SS.*Hα-helixtrans-71.2-19.4177.2-50.20000113.3S234 F235S234-S237 WeakPolarHBondContact O-CB 3.47Å; S234-S237 PolarHBondContact O-N 3.15Å; F235-S237 VanDerWaalsContact C-N 3.29Å; F235-S237 PolarHBondContact O-N 3.49Å
238R60.6Low54.5Low197 Ų197143.8 Ų143.874%0.74371%0.713SS**Hα-helixtrans-84.4-35.6171.5-86.1-175.8161.1-153.9-5.9112.5F235 G236F235-R238 PolarHBondContact O-N 3.36Å; G236-R238 VanDerWaalsContact C-N 3.26Å; G236-R238 PolarHBondContact O-N 2.88Å
239L59.9Low55.1Low106 Ų106141.7 Ų141.756%0.55571%0.711SS**Hα-helixtrans-63.2-42.2178.9-74.1166.5000112.2F235 G236 L241 G242F235-L239 HydrophobicContact CD1-CD1 3.86Å; F235-L239 HydrophobicContact CE1-CD1 3.72Å; F235-L239 HydrophobicContact CE1-CG 4.41Å; F235-L239 HydrophobicContact CZ-CD1 4.43Å; F235-L239 PolarHBondContact O-N 2.99Å; G236-L239 PolarHBondContact O-N 3.24Å; L239-L241 PolarHBondContact O-N 2.64Å; L239-L241 VanDerWaalsContact O-N 3.15Å; L239-G242 PolarHBondContact O-N 2.64Å; L239-G242 VanDerWaalsContact O-N 3.16Å
240Q59.1Low55.8Low163 Ų163138.7 Ų138.776%0.76270%0.704SS**THydrogen-bonded Turntrans-66.2-15.6-176.7-71.3179.4-17.900115.4G236G236-Q240 PolarHBondContact O-N 3.16Å
241L60.8Low56.2Low152 Ų152137.3 Ų137.380%0.79670%0.702SS**THydrogen-bonded Turntrans-98.6-3.6178.5-71.9165.8000113.2L239 M243L239-L241 PolarHBondContact O-N 2.64Å; L239-L241 VanDerWaalsContact O-N 3.15Å; L241-M243 PolarHBondContact O-N 3.47Å
242G50.5Low56.3Low38 Ų38133.2 Ų133.239%0.39270%0.695SS.*  trans-99.160.1-17900000113.4L239 N244 L245L239-G242 PolarHBondContact O-N 2.64Å; L239-G242 VanDerWaalsContact O-N 3.16Å; G242-N244 PolarHBondContact O-N 3.48Å; G242-L245 PolarHBondContact O-N 2.99Å
243M54.2Low56.4Low173 Ų173126 Ų12685%0.85268%0.683SS**THydrogen-bonded Turntrans-61.37.6-168.6-74.2166.155.100117.7L241L241-M243 PolarHBondContact O-N 3.47Å
244N60.6Low55.9Low161 Ų161128.5 Ų128.586%0.86169%0.69SS**THydrogen-bonded Turntrans-12626-176.6-65.4-23000113.4G242G242-N244 PolarHBondContact O-N 3.48Å
245L59.1Low55.2Low145 Ų145132.9 Ų132.976%0.75971%0.706SS**  trans-112.197174.4-73.7170.6000110.3G242 V247G242-L245 PolarHBondContact O-N 2.99Å; L245-V247 PolarHBondContact O-N 2.96Å
246E66.5Low54.1Low190 Ų190131.4 Ų131.489%0.88871%0.714SS**  trans-68.5119.7165.4-66.4-175.2149.400108.8C248E246-C248 PolarHBondContact O-N 2.77Å
247V61Low53.2Low117 Ų117137.4 Ų137.471%0.70973%0.733SS**  trans-80.8106.4175.6179.60000107.9L245 F249L245-V247 PolarHBondContact O-N 2.96Å; V247-F249 PolarHBondContact O-N 3.18Å
248C52Low52.4Low114 Ų114141.8 Ų141.877%0.7775%0.747SS**  trans-60.8109.6167.6-65.60000109E246 V250E246-C248 PolarHBondContact O-N 2.77Å; C248-V250 PolarHBondContact O-N 3.48Å
249F54Low51.5Low201 Ų201137.7 Ų137.788%0.88274%0.74SS**  trans-65.797.4166.1-79.8-96.9000108.5V247V247-F249 PolarHBondContact O-N 3.18Å
250V54.2Low50.7Low105 Ų105140.3 Ų140.364%0.63675%0.749SS**  trans-63.5135.1152.3-177.80000106C248 D252C248-V250 PolarHBondContact O-N 3.48Å; V250-D252 WeakPolarHBondContact CG1-OD1 3.33Å; V250-D252 PolarHBondContact O-N 3.03Å
251N52.4Low49.9Very low130 Ų130141.1 Ų141.170%0.69575%0.753SS**  trans-81.578.6-179.4-171.795.1000108.8S253N251-S253 PolarHBondContact ND2-OG 3.46Å; N251-S253 PolarHBondContact O-N 2.87Å
252D45Very low48.7Very low136 Ų136138.8 Ų138.873%0.72775%0.748SS**  trans-65.881.6178.7-61.8-22.9000109.9V250V250-D252 WeakPolarHBondContact CG1-OD1 3.33Å; V250-D252 PolarHBondContact O-N 3.03Å
253S45.6Very low48.1Very low97 Ų97144.8 Ų144.868%0.67877%0.766SS**  trans-125.82.6169.7-55.40000111.6N251N251-S253 PolarHBondContact ND2-OG 3.46Å; N251-S253 PolarHBondContact O-N 2.87Å
254D40Very low47.4Very low139 Ų139146.2 Ų146.274%0.74377%0.767SS**SBendtrans-109.9144.9165.2-60.2-53.3000107.8
255L41.5Very low46.3Very low170 Ų170143 Ų14389%0.8976%0.763SS**SBendtrans74.153.9170.6-47.9-178.2000119
256C35.5Very low45.5Very low128 Ų128144.4 Ų144.487%0.86577%0.766SS**  trans-165.9127.7138-101.50000111.3
257E44.1Very low44Very low160 Ų160144.8 Ų144.875%0.74877%0.767SS**  -166.1130.9114.5-78.1-139173.200108.9
258Q43.6Very low42.9Very low156 Ų156142.2 Ų142.273%0.72977%0.765SS**  trans55.2139.5147.1-56.6-176.472.300120.9
259N41.3Very low42.5Very low111 Ų111143.5 Ų143.559%0.59477%0.769SS**  cis-159.6159.2-14.4-123.824.4000111.2
260E43.4Very low42.2Very low160 Ų160141.5 Ų141.575%0.74877%0.767SS**  trans25.2129.5142-58.3164.4-142.900119
261E41.6Very low41.8Very low181 Ų181145.2 Ų145.285%0.84678%0.777SS**  -159.815551.8-99.6-165.7138.200116.4
262C37.5Very low41.7Very low103 Ų103148 Ų14870%0.69678%0.783SS**  trans59.3105.5136.4-146.60000124.5
263E37.8Very low41.8Very low164 Ų164145.7 Ų145.777%0.76678%0.777SS**  trans27.5119.6137.2-54.1-172.2177.500122.8
264K39.6Very low42.4Very low202 Ų202148.3 Ų148.388%0.87879%0.789SS**  -167.6157.895.8-100.7158.6-168.5167.10112.6
265A36.3Very low43Very low93 Ų93146.5 Ų146.577%0.76979%0.787SS**  trans-104.2145.8174.800000110.7
266E42.3Very low43.7Very low176 Ų176142.5 Ų142.582%0.82277%0.77SS**  trans-145151.4134.2-78.6-144.9155.600111.9
267E35.5Very low44.5Very low198 Ų198139.4 Ų139.493%0.92575%0.748SS**  trans-45138.3177.4-179.4176.9173.900117.3
268G37.9Very low44.7Very low63 Ų63137.3 Ų137.365%0.64974%0.742SS**  trans145.449.4160.600000119.7L270G268-L270 VanDerWaalsContact C-N 3.31Å; G268-L270 PolarHBondContact O-N 3.14Å
269T44.3Very low45.1Very low141 Ų141133.8 Ų133.887%0.86572%0.724SS**  trans-70.978.5177.3-42.20000113.3
270L47.7Very low45.7Very low159 Ų159131.3 Ų131.383%0.83272%0.719SS**  trans-70.6135.1165.2-73.5173.4000110.3G268 K272G268-L270 VanDerWaalsContact C-N 3.31Å; G268-L270 PolarHBondContact O-N 3.14Å; L270-K272 PolarHBondContact O-N 2.98Å
271H44.5Very low46.1Very low183 Ų183128.1 Ų128.185%0.84771%0.711SS**  trans-70113.8175.5-72.8-120.2000109S273H271-S273 PolarHBondContact O-N 3.45Å
272K50.6Low46.4Very low189 Ų189123.9 Ų123.982%0.82269%0.693SS**  trans-61.5129176.6-70.3-176.3175.6-178.90110.3L270L270-K272 PolarHBondContact O-N 2.98Å
273S47.2Very low46.9Very low87 Ų87122.2 Ų122.261%0.60868%0.676SS**  trans-60.9145.4174.3-59.20000111.2H271 S275 T276H271-S273 PolarHBondContact O-N 3.45Å; S273-S275 PolarHBondContact O-N 2.86Å; S273-T276 PolarHBondContact O-N 2.85Å; S273-T276 PolarHBondContact O-OG1 3.43Å
274V58.2Low47.6Very low152 Ų152118.3 Ų118.392%0.92167%0.673SS**THydrogen-bonded Turntrans-59.5-21.3-175.6-179.80000113T276V274-T276 VanDerWaalsContact C-N 3.28Å; V274-T276 PolarHBondContact O-N 3.08Å
275S52.4Low48.1Very low101 Ų101112.2 Ų112.271%0.70666%0.66SS**THydrogen-bonded Turntrans-72.5-5.1-178.8-29.30000115.7S273 P277S273-S275 PolarHBondContact O-N 2.86Å; S275-P277 WeakPolarHBondContact O-CD 3.3Å
276T57.4Low48.7Very low86 Ų86114.5 Ų114.553%0.52866%0.659SS.*SBendtrans-84.1117.9-179.7-51.20000111.3S273 V274 N278S273-T276 PolarHBondContact O-N 2.85Å; S273-T276 PolarHBondContact O-OG1 3.43Å; V274-T276 VanDerWaalsContact C-N 3.28Å; V274-T276 PolarHBondContact O-N 3.08Å; T276-N278 PolarHBondContact O-N 2.9Å
277P51.4Low48.6Very low62 Ų62108.8 Ų108.840%0.40365%0.647SS.*  trans-61.1129.8173.623.6-32.2000110.8S275 F279S275-P277 WeakPolarHBondContact O-CD 3.3Å; P277-F279 VanDerWaalsContact C-N 3.35Å; P277-F279 HydrophobicContact CB-CE2 4.38Å; P277-F279 HydrophobicContact CB-CZ 4.31Å; P277-F279 HydrophobicContact CG-CD2 4.48Å; P277-F279 HydrophobicContact CG-CE2 3.71Å; P277-F279 HydrophobicContact CG-CZ 3.77Å; P277-F279 WeakPolarHBondContact O-CD2 3.45Å; P277-F279 PolarHBondContact O-N 2.96Å
278N47.9Very low48.7Very low116 Ų116103.2 Ų103.262%0.6263%0.63SS**  trans-82.874.9-171.6-170.35.8000112.3T276 A280 V281T276-N278 PolarHBondContact O-N 2.9Å; N278-A280 PolarHBondContact O-N 2.62Å; N278-A280 WeakPolarHBondContact OD1-CB 3.33Å; N278-V281 HydrophobicContact CB-CG2 4.46Å; N278-V281 PolarHBondContact O-N 3.11Å; N278-V281 VanDerWaalsContact O-N 3.08Å
279F51.8Low48.9Very low82 Ų82104.7 Ų104.736%0.3664%0.636SS.*THydrogen-bonded Turntrans-56.2-19.2179.8-65.2-68.3000114.9P277 V281 I282 L283P277-F279 VanDerWaalsContact C-N 3.35Å; P277-F279 HydrophobicContact CB-CE2 4.38Å; P277-F279 HydrophobicContact CB-CZ 4.31Å; P277-F279 HydrophobicContact CG-CD2 4.48Å; P277-F279 HydrophobicContact CG-CE2 3.71Å; P277-F279 HydrophobicContact CG-CZ 3.77Å; P277-F279 WeakPolarHBondContact O-CD2 3.45Å; P277-F279 PolarHBondContact O-N 2.96Å; F279-V281 PolarHBondContact O-N 3.27Å; F279-I282 HydrophobicContact CD1-CD1 4.17Å; F279-I282 PolarHBondContact O-N 3.29Å; F279-L283 PolarHBondContact O-N 2.94Å
280A54.4Low49.1Very low60 Ų60105.8 Ų105.850%0.49663%0.632SS.*Hα-helixtrans-59.5-26.2174.800000112.7N278 I282 A284N278-A280 PolarHBondContact O-N 2.62Å; N278-A280 WeakPolarHBondContact OD1-CB 3.33Å; A280-I282 VanDerWaalsContact C-N 3.34Å; A280-A284 VanDerWaalsContact O-CB 3.22Å; A280-A284 WeakPolarHBondContact O-CB 3.49Å; A280-A284 PolarHBondContact O-N 3.22Å
281V51.4Low48.8Very low93 Ų93106.4 Ų106.456%0.56463%0.63SS**Hα-helixtrans-66.2-35.6174.2-179.50000111.7N278 F279 A285N278-V281 HydrophobicContact CB-CG2 4.46Å; N278-V281 PolarHBondContact O-N 3.11Å; N278-V281 VanDerWaalsContact O-N 3.08Å; F279-V281 PolarHBondContact O-N 3.27Å; V281-A285 WeakPolarHBondContact O-CB 3.29Å; V281-A285 PolarHBondContact O-N 3.33Å
282I48.4Very low48.7Very low91 Ų91102.6 Ų102.647%0.46762%0.624SS.*Hα-helixtrans-72.4-42.6-179.4-55.6-175.7000110.4F279 A280F279-I282 HydrophobicContact CD1-CD1 4.17Å; F279-I282 PolarHBondContact O-N 3.29Å; A280-I282 VanDerWaalsContact C-N 3.34Å
283L48.3Very low48.3Very low68 Ų6898.1 Ų98.136%0.35662%0.617SS.*Hα-helixtrans-63.3-45.7174.1-80.9148.9000111.8F279 A285 L326F279-L283 PolarHBondContact O-N 2.94Å; L283-A285 VanDerWaalsContact C-N 3.34Å; L283-A285 PolarHBondContact O-N 3.02Å; L283-L326 HydrophobicContact CD2-CD1 3.82Å; L283-L326 HydrophobicContact CG-CD1 4.35Å
284A52.8Low48.1Very low83 Ų83101.5 Ų101.569%0.68662%0.622SS**Hα-helixtrans-71.8-22.6-178.800000114.4A280A280-A284 VanDerWaalsContact O-CB 3.22Å; A280-A284 WeakPolarHBondContact O-CB 3.49Å; A280-A284 PolarHBondContact O-N 3.22Å
285A50.5Low47.5Very low73 Ų7395.9 Ų95.960%0.60359%0.59SS**Hα-helixtrans-79.4-26-179.100000114V281 L283V281-A285 WeakPolarHBondContact O-CB 3.29Å; V281-A285 PolarHBondContact O-N 3.33Å; L283-A285 VanDerWaalsContact C-N 3.34Å; L283-A285 PolarHBondContact O-N 3.02Å
286N48.5Very low47.8Very low141 Ų14195.4 Ų95.475%0.75458%0.582SS**Hα-helixtrans-116.12.9-162.6-85.117.6000116.2
287G39.2Very low47.9Very low56 Ų5694.5 Ų94.558%0.57757%0.573SS**  trans-161.9133.5177.300000115.6
288S38.7Very low48.6Very low82 Ų8292.8 Ų92.857%0.57356%0.563SS**  trans-64.2146.7162.3-171.30000109.5E290S288-E290 PolarHBondContact O-N 2.97Å; S288-E290 PolarHBondContact OG-OE2 2.87Å
289A42.1Very low49.5Very low93 Ų9388 Ų8877%0.76954%0.539SS*.THydrogen-bonded Turntrans-67.20.9-174.600000114.9S292A289-S292 PolarHBondContact O-OG 3.18Å
290E46.9Very low50.3Low165 Ų16586 Ų8677%0.77154%0.536SS*.THydrogen-bonded Turntrans-101.50.4-171.1-57.8162.6124.200113.7S288S288-E290 PolarHBondContact O-N 2.97Å; S288-E290 PolarHBondContact OG-OE2 2.87Å
291Q42.4Very low51Low171 Ų17187.5 Ų87.580%0.79953%0.532SS*.  trans-110.127174.4-63.5-166.316.500113.3S293Q291-S293 PolarHBondContact O-N 3.36Å
292S41.6Very low51.6Low103 Ų10383.7 Ų83.772%0.7251%0.509SS*.  trans-70.84216449.90000112.4A289 H294A289-S292 PolarHBondContact O-OG 3.18Å; S292-H294 VanDerWaalsContact C-N 3.32Å; S292-H294 PolarHBondContact O-N 3.39Å
293S42.3Very low52.5Low96 Ų9684.6 Ų84.667%0.67151%0.506SS*.  trans-66.195.8168.548.60000108.7Q291 C295Q291-S293 PolarHBondContact O-N 3.36Å; S293-C295 PolarHBondContact O-N 2.92Å
294H42.5Very low53.5Low157 Ų15789 Ų8973%0.72752%0.518SS*.  trans-32.299.3-178.2175.2-128.6000112.1S292 T296S292-H294 VanDerWaalsContact C-N 3.32Å; S292-H294 PolarHBondContact O-N 3.39Å; H294-T296 VanDerWaalsContact C-N 3.3Å; H294-T296 VanDerWaalsContact CE1-CG2 3.41Å; H294-T296 WeakPolarHBondContact CE1-CG2 3.44Å; H294-T296 WeakPolarHBondContact ND1-CG2 3.5Å; H294-T296 PolarHBondContact O-N 2.9Å
295C46.8Very low53.9Low34 Ų3489.3 Ų89.323%0.2351%0.506CS..  trans-81.484.3-179.1-168.30000107.4S293 M297S293-C295 PolarHBondContact O-N 2.92Å; C295-M297 PolarHBondContact O-N 2.81Å
296T58.7Low54.4Low91 Ų9187 Ų8756%0.55849%0.486SS*.  trans-55.9-13.3177550000114H294 S298H294-T296 VanDerWaalsContact C-N 3.3Å; H294-T296 VanDerWaalsContact CE1-CG2 3.41Å; H294-T296 WeakPolarHBondContact CE1-CG2 3.44Å; H294-T296 WeakPolarHBondContact ND1-CG2 3.5Å; H294-T296 PolarHBondContact O-N 2.9Å; T296-S298 PolarHBondContact O-N 3.05Å
297M60Low55.1Low67 Ų6787.4 Ų87.433%0.3348%0.483SS..  trans-62119.4-176.8-54.7-73.282.400110.3C295 E301 L302C295-M297 PolarHBondContact O-N 2.81Å; M297-E301 WeakPolarHBondContact CA-OE2 3.33Å; M297-L302 HydrophobicContact CB-CG 4.22Å
298S66.4Low56.2Low26 Ų2691 Ų9118%0.18249%0.485CS..  trans-55.8154174.3150.30000111.5D55 T296 S300 E301 L302D55-S298 WeakPolarHBondContact OD1-CB 3.29Å; D55-S298 PolarHBondContact OD1-OG 2.7Å; D55-S298 PolarHBondContact OD2-OG 2.9Å; T296-S298 PolarHBondContact O-N 3.05Å; S298-S300 PolarHBondContact O-N 2.96Å; S298-S300 WeakPolarHBondContact OG-CB 3.43Å; S298-S300 PolarHBondContact OG-N 3.43Å; S298-E301 PolarHBondContact N-OE2 2.86Å; S298-E301 PolarHBondContact O-N 2.89Å; S298-E301 VanDerWaalsContact O-N 3.11Å; S298-E301 PolarHBondContact OG-N 2.98Å; S298-L302 PolarHBondContact O-N 2.98Å
299A65Low57.2Low16 Ų1690 Ų9013%0.13247%0.473CS..Hα-helixtrans-57.8-34.5171.600000111.3R303 L328A299-R303 VanDerWaalsContact O-CG 3.31Å; A299-R303 WeakPolarHBondContact O-CG 3.2Å; A299-R303 PolarHBondContact O-N 3.37Å; A299-R303 PolarHBondContact O-NE 3.36Å; A299-L328 HydrophobicContact CB-CD2 3.82Å
300S69.8Low58.2Low41 Ų4192.8 Ų92.829%0.28747%0.47SS..Hα-helixtrans-74.1-35175.1-61.70000113.1D55 S298 R304D55-S300 VanDerWaalsContact OD2-CB 3.29Å; D55-S300 WeakPolarHBondContact OD2-CB 3.42Å; D55-S300 PolarHBondContact OD2-N 3.46Å; D55-S300 PolarHBondContact OD2-OG 2.99Å; S298-S300 PolarHBondContact O-N 2.96Å; S298-S300 WeakPolarHBondContact OG-CB 3.43Å; S298-S300 PolarHBondContact OG-N 3.43Å; S300-R304 WeakPolarHBondContact O-CG 3.39Å; S300-R304 PolarHBondContact O-N 3.16Å; S300-R304 VanDerWaalsContact O-N 3.11Å
301E68.8Low59.1Low90 Ų9093 Ų9342%0.42148%0.477SS..Hα-helixtrans-65.9-42.9174.3-74.3-179.7131.400112.3M297 S298 R303 R304 M305M297-E301 WeakPolarHBondContact CA-OE2 3.33Å; S298-E301 PolarHBondContact N-OE2 2.86Å; S298-E301 PolarHBondContact O-N 2.89Å; S298-E301 VanDerWaalsContact O-N 3.11Å; S298-E301 PolarHBondContact OG-N 2.98Å; E301-R303 PolarHBondContact O-N 3.01Å; E301-R304 WeakPolarHBondContact O-CB 3.39Å; E301-R304 PolarHBondContact O-N 3.13Å; E301-R304 VanDerWaalsContact O-N 3.17Å; E301-M305 WeakPolarHBondContact O-CG 3.18Å; E301-M305 PolarHBondContact O-N 2.85Å
302L63Low60.4Low14 Ų1486.1 Ų86.17%0.07345%0.449CS..Hα-helixtrans-61.4-44.7175.6-80.6168.7000112M297 S298 R304 M305 S306 E324 L327M297-L302 HydrophobicContact CB-CG 4.22Å; S298-L302 PolarHBondContact O-N 2.98Å; L302-R304 VanDerWaalsContact C-N 3.26Å; L302-R304 PolarHBondContact O-N 3.17Å; L302-M305 PolarHBondContact O-N 3.2Å; L302-S306 WeakPolarHBondContact O-CB 3.32Å; L302-S306 PolarHBondContact O-N 2.9Å; L302-E324 HydrophobicContact CB-CG 4.08Å; L302-E324 HydrophobicContact CD1-CG 4.46Å; L302-L327 HydrophobicContact CD1-CB 4.38Å; L302-L327 HydrophobicContact CD1-CD2 3.48Å; L302-L327 VanDerWaalsContact CD1-CD2 3.48Å
303R68Low62.4Low110 Ų11087.3 Ų87.342%0.41545%0.448SS..Hα-helixtrans-57-39.7174.2-68.8173.1-144.9153.62.2111.8A299 E301 S306 Q307A299-R303 VanDerWaalsContact O-CG 3.31Å; A299-R303 WeakPolarHBondContact O-CG 3.2Å; A299-R303 PolarHBondContact O-N 3.37Å; A299-R303 PolarHBondContact O-NE 3.36Å; E301-R303 PolarHBondContact O-N 3.01Å; R303-S306 WeakPolarHBondContact O-CA 3.44Å; R303-S306 WeakPolarHBondContact O-CB 3.32Å; R303-S306 PolarHBondContact O-N 3.01Å; R303-Q307 PolarHBondContact O-N 3.06Å
304R70.3Confident64.4Low161 Ų16189.2 Ų89.261%0.60844%0.444SS*.Hα-helixtrans-67.3-50.2177.5-78.3-170.459.2-167.2-12.1112.7S300 E301 L302 S306 Q307 E308S300-R304 WeakPolarHBondContact O-CG 3.39Å; S300-R304 PolarHBondContact O-N 3.16Å; S300-R304 VanDerWaalsContact O-N 3.11Å; E301-R304 WeakPolarHBondContact O-CB 3.39Å; E301-R304 PolarHBondContact O-N 3.13Å; E301-R304 VanDerWaalsContact O-N 3.17Å; L302-R304 VanDerWaalsContact C-N 3.26Å; L302-R304 PolarHBondContact O-N 3.17Å; R304-S306 PolarHBondContact O-N 3.39Å; R304-Q307 WeakPolarHBondContact O-CB 3.35Å; R304-Q307 PolarHBondContact O-N 3.45Å; R304-E308 IonicContact NH2-OE1 2.69Å; R304-E308 PolarHBondContact NH2-OE1 2.82Å; R304-E308 PolarHBondContact O-N 2.88Å
305M59.6Low66.4Low88 Ų8884.7 Ų84.743%0.43343%0.43SS..Hα-helixtrans-53.3-37.7169.1-65.6-177.675.900110.1E301 L302 Q307 E308 D309 R320E301-M305 WeakPolarHBondContact O-CG 3.18Å; E301-M305 PolarHBondContact O-N 2.85Å; L302-M305 PolarHBondContact O-N 3.2Å; M305-Q307 PolarHBondContact O-N 3.4Å; M305-E308 PolarHBondContact O-N 3Å; M305-E308 VanDerWaalsContact O-N 3.12Å; M305-D309 PolarHBondContact O-N 3.45Å; M305-R320 PolarHBondContact O-NH1 3.34Å
306S62.7Low68.3Low24 Ų2487 Ų8717%0.16844%0.443CS..Hα-helixtrans-56.7-35.9-178.9-1310000112.9L302 R303 R304 R320 E324L302-S306 WeakPolarHBondContact O-CB 3.32Å; L302-S306 PolarHBondContact O-N 2.9Å; R303-S306 WeakPolarHBondContact O-CA 3.44Å; R303-S306 WeakPolarHBondContact O-CB 3.32Å; R303-S306 PolarHBondContact O-N 3.01Å; R304-S306 PolarHBondContact O-N 3.39Å; S306-R320 PolarHBondContact O-NH2 2.83Å; S306-R320 PolarHBondContact OG-NH2 3.43Å; S306-E324 PolarHBondContact OG-OE2 3.18Å
307Q63.2Low69.5Low150 Ų15085.6 Ų85.670%0.70143%0.429SS*.Hα-helixtrans-84.8-24-179.6-166.1170.47.900114.4R303 R304 M305R303-Q307 PolarHBondContact O-N 3.06Å; R304-Q307 WeakPolarHBondContact O-CB 3.35Å; R304-Q307 PolarHBondContact O-N 3.45Å; M305-Q307 PolarHBondContact O-N 3.4Å
308E60.5Low70.7Confident131 Ų13185.7 Ų85.761%0.61243%0.429SS*.Hα-helixtrans-82.5-32.7-176.6-69.8171.5-165.900112.6R304 M305 Q310R304-E308 IonicContact NH2-OE1 2.69Å; R304-E308 PolarHBondContact NH2-OE1 2.82Å; R304-E308 PolarHBondContact O-N 2.88Å; M305-E308 PolarHBondContact O-N 3Å; M305-E308 VanDerWaalsContact O-N 3.12Å; E308-Q310 PolarHBondContact O-N 3.22Å
309D59.7Low71.7Confident62 Ų6290.8 Ų90.833%0.33245%0.448SS..  trans-79.479.9171.3-71.2-47000112.5M305 A312 K317 R320M305-D309 PolarHBondContact O-N 3.45Å; D309-A312 HydrophobicContact CB-CB 3.79Å; D309-K317 PolarHBondContact O-NZ 3.19Å; D309-R320 VanDerWaalsContact CB-NH1 3.28Å; D309-R320 VanDerWaalsContact CG-NH1 3.35Å; D309-R320 IonicContact OD2-CZ 3.99Å; D309-R320 IonicContact OD2-NE 2.76Å; D309-R320 IonicContact OD2-NH1 2.8Å; D309-R320 PolarHBondContact OD2-NH1 2.8Å
310Q63.1Low72.6Confident151 Ų15191.8 Ų91.871%0.70645%0.448SS*.SBendtrans-77-39.5163.8-68.2-87.6-800111.4E308E308-Q310 PolarHBondContact O-N 3.22Å
311D67.7Low73.4Confident169 Ų16993.6 Ų93.690%0.90445%0.454SS*.SBendtrans-92.83.3-170.3-62.6-44.1000115
312A68.9Low74.2Confident27 Ų2794 Ų9422%0.22346%0.456CS..SBendtrans-77.9139.9-178.900000112.9D309D309-A312 HydrophobicContact CB-CB 3.79Å
313D83Confident75.3Confident129 Ų12998.9 Ų98.969%0.6948%0.476SS*.  trans-48.9139.4175.2-85.1-38.2000112.4S315 V316 K317D313-S315 PolarHBondContact O-N 3.44Å; D313-S315 VanDerWaalsContact O-N 3.08Å; D313-V316 HydrophobicContact CB-CB 4.48Å; D313-V316 HydrophobicContact CB-CG2 4.08Å; D313-V316 WeakPolarHBondContact O-CA 3.37Å; D313-V316 WeakPolarHBondContact O-CB 3.44Å; D313-V316 PolarHBondContact O-N 3.34Å; D313-K317 PolarHBondContact O-N 3.32Å
314F84.4Confident75.8Confident136 Ų13694.5 Ų94.560%0.59646%0.461SS*.Hα-helixtrans-52.8-37.4-178-178.8-90.1000113.2K317 Q318F314-K317 PolarHBondContact O-N 3.17Å; F314-Q318 HydrophobicContact CE1-CB 4.48Å; F314-Q318 VanDerWaalsContact O-CB 3.26Å; F314-Q318 WeakPolarHBondContact O-CB 3.28Å; F314-Q318 PolarHBondContact O-N 3.11Å
315S85.3Confident76.6Confident61 Ų6189.7 Ų89.743%0.42746%0.456SS..Hα-helixtrans-68.7-34177.2-170.80000113.2D313 K319D313-S315 PolarHBondContact O-N 3.44Å; D313-S315 VanDerWaalsContact O-N 3.08Å; S315-K319 WeakPolarHBondContact O-CB 3.32Å; S315-K319 VanDerWaalsContact O-CG 3.31Å; S315-K319 WeakPolarHBondContact O-CG 3.44Å; S315-K319 PolarHBondContact O-N 2.79Å; S315-K319 VanDerWaalsContact O-N 3.09Å
316V86.2Confident77.8Confident83 Ų8389 Ų8950%0.50345%0.453SS..Hα-helixtrans-69.7-46.8174.1179.20000109.3D313 Q318 K319 R320D313-V316 HydrophobicContact CB-CB 4.48Å; D313-V316 HydrophobicContact CB-CG2 4.08Å; D313-V316 WeakPolarHBondContact O-CA 3.37Å; D313-V316 WeakPolarHBondContact O-CB 3.44Å; D313-V316 PolarHBondContact O-N 3.34Å; V316-Q318 VanDerWaalsContact C-N 3.35Å; V316-Q318 PolarHBondContact O-N 3.43Å; V316-K319 PolarHBondContact O-N 2.91Å; V316-R320 WeakPolarHBondContact O-CB 3.39Å; V316-R320 PolarHBondContact O-N 3.5Å
317K84.1Confident78.7Confident62 Ų6289.6 Ų89.627%0.2745%0.454SS..Hα-helixtrans-61.2-41.1177.6-165.2158.4-172156.10112.2D309 D313 F314 L321D309-K317 PolarHBondContact O-NZ 3.19Å; D313-K317 PolarHBondContact O-N 3.32Å; F314-K317 PolarHBondContact O-N 3.17Å; K317-L321 HydrophobicContact CG-CD1 4.23Å; K317-L321 WeakPolarHBondContact O-CB 3.49Å; K317-L321 VanDerWaalsContact O-CG 3.27Å; K317-L321 WeakPolarHBondContact O-CG 3.37Å; K317-L321 PolarHBondContact O-N 2.93Å
318Q85.2Confident79.8Confident68 Ų6885.6 Ų85.632%0.31844%0.437SS..Hα-helixtrans-60.4-56.1173.1176.8178.9-16.500111.6F314 V316 R320 L321 E322F314-Q318 HydrophobicContact CE1-CB 4.48Å; F314-Q318 VanDerWaalsContact O-CB 3.26Å; F314-Q318 WeakPolarHBondContact O-CB 3.28Å; F314-Q318 PolarHBondContact O-N 3.11Å; V316-Q318 VanDerWaalsContact C-N 3.35Å; V316-Q318 PolarHBondContact O-N 3.43Å; Q318-R320 PolarHBondContact O-N 3.34Å; Q318-L321 PolarHBondContact O-N 2.89Å; Q318-E322 HydrophobicContact CG-CG 4.35Å; Q318-E322 VanDerWaalsContact CG-OE1 3.26Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.45Å; Q318-E322 PolarHBondContact NE2-OE1 3.38Å; Q318-E322 WeakPolarHBondContact O-CG 3.22Å; Q318-E322 PolarHBondContact O-N 3.43Å
319K86.3Confident81Confident134 Ų13481.6 Ų81.658%0.58342%0.42SS*.Hα-helixtrans-60-33.8-178.8-73.3170.4-179.51720112.9S315 V316 K323S315-K319 WeakPolarHBondContact O-CB 3.32Å; S315-K319 VanDerWaalsContact O-CG 3.31Å; S315-K319 WeakPolarHBondContact O-CG 3.44Å; S315-K319 PolarHBondContact O-N 2.79Å; S315-K319 VanDerWaalsContact O-N 3.09Å; V316-K319 PolarHBondContact O-N 2.91Å; K319-K323 PolarHBondContact O-N 3Å; K319-K323 VanDerWaalsContact O-N 3.08Å
320R83.9Confident82.1Confident36 Ų3680.9 Ų80.914%0.13642%0.418CS..Hα-helixtrans-67.7-45.7173.7-174.1-170.766156.79.2111.8M305 S306 D309 V316 Q318 E322 K323 E324M305-R320 PolarHBondContact O-NH1 3.34Å; S306-R320 PolarHBondContact O-NH2 2.83Å; S306-R320 PolarHBondContact OG-NH2 3.43Å; D309-R320 VanDerWaalsContact CB-NH1 3.28Å; D309-R320 VanDerWaalsContact CG-NH1 3.35Å; D309-R320 IonicContact OD2-CZ 3.99Å; D309-R320 IonicContact OD2-NE 2.76Å; D309-R320 IonicContact OD2-NH1 2.8Å; D309-R320 PolarHBondContact OD2-NH1 2.8Å; V316-R320 WeakPolarHBondContact O-CB 3.39Å; V316-R320 PolarHBondContact O-N 3.5Å; Q318-R320 PolarHBondContact O-N 3.34Å; R320-E322 VanDerWaalsContact C-N 3.34Å; R320-K323 PolarHBondContact O-N 3.47Å; R320-E324 WeakPolarHBondContact O-CB 3.36Å; R320-E324 PolarHBondContact O-N 2.96Å
321L87.2Confident83.2Confident79 Ų7977.8 Ų77.841%0.41440%0.402SS..Hα-helixtrans-65.1-35.5175.5-73.9166.1000112.3K317 Q318 E324 A325K317-L321 HydrophobicContact CG-CD1 4.23Å; K317-L321 WeakPolarHBondContact O-CB 3.49Å; K317-L321 VanDerWaalsContact O-CG 3.27Å; K317-L321 WeakPolarHBondContact O-CG 3.37Å; K317-L321 PolarHBondContact O-N 2.93Å; Q318-L321 PolarHBondContact O-N 2.89Å; L321-E324 PolarHBondContact O-N 3.33Å; L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.44Å; L321-A325 PolarHBondContact O-N 2.87Å
322E86.8Confident83.9Confident100 Ų10072.4 Ų72.447%0.46738%0.381SS..Hα-helixtrans-62.7-42.1172.3-72.2166.3174.100111.2Q318 R320 L326Q318-E322 HydrophobicContact CG-CG 4.35Å; Q318-E322 VanDerWaalsContact CG-OE1 3.26Å; Q318-E322 WeakPolarHBondContact CG-OE1 3.45Å; Q318-E322 PolarHBondContact NE2-OE1 3.38Å; Q318-E322 WeakPolarHBondContact O-CG 3.22Å; Q318-E322 PolarHBondContact O-N 3.43Å; R320-E322 VanDerWaalsContact C-N 3.34Å; E322-L326 WeakPolarHBondContact O-CB 3.49Å; E322-L326 PolarHBondContact O-N 2.87Å
323K85.7Confident84.8Confident115 Ų11575.4 Ų75.450%0.539%0.39SS..Hα-helixtrans-67.5-41.4173.3-171.8-177177.5-173.10112.5K319 R320 L326 L327K319-K323 PolarHBondContact O-N 3Å; K319-K323 VanDerWaalsContact O-N 3.08Å; R320-K323 PolarHBondContact O-N 3.47Å; K323-L326 PolarHBondContact O-N 3.42Å; K323-L327 PolarHBondContact O-N 3.05Å
324E78.3Confident84.8Confident19 Ų1973.8 Ų73.89%0.08938%0.378CS..Hα-helixtrans-60.6-49.9177-178174179.500110.6L302 S306 R320 L321 L326 L327 L328L302-E324 HydrophobicContact CB-CG 4.08Å; L302-E324 HydrophobicContact CD1-CG 4.46Å; S306-E324 PolarHBondContact OG-OE2 3.18Å; R320-E324 WeakPolarHBondContact O-CB 3.36Å; R320-E324 PolarHBondContact O-N 2.96Å; L321-E324 PolarHBondContact O-N 3.33Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 2.97Å; E324-L327 PolarHBondContact O-N 3.22Å; E324-L328 HydrophobicContact CG-CD1 4.08Å; E324-L328 WeakPolarHBondContact O-CB 3.31Å; E324-L328 VanDerWaalsContact O-CG 3.27Å; E324-L328 WeakPolarHBondContact O-CG 3.29Å; E324-L328 PolarHBondContact O-N 3.37Å
325A86.6Confident84.9Confident60 Ų6068.1 Ų68.150%0.49636%0.357SS..Hα-helixtrans-61.4-38.417600000112.9L321 L329L321-A325 VanDerWaalsContact O-CB 3.3Å; L321-A325 WeakPolarHBondContact O-CB 3.44Å; L321-A325 PolarHBondContact O-N 2.87Å; A325-L329 WeakPolarHBondContact O-CB 3.45Å; A325-L329 PolarHBondContact O-N 3.49Å
326L84.8Confident85Confident74 Ų7468 Ų6839%0.38736%0.359SS..Hα-helixtrans-66.9-43.2176.9-173.164000112.2L283 E322 K323 E324 L329 T330L283-L326 HydrophobicContact CD2-CD1 3.82Å; L283-L326 HydrophobicContact CG-CD1 4.35Å; E322-L326 WeakPolarHBondContact O-CB 3.49Å; E322-L326 PolarHBondContact O-N 2.87Å; K323-L326 PolarHBondContact O-N 3.42Å; E324-L326 VanDerWaalsContact C-N 3.33Å; E324-L326 PolarHBondContact O-N 2.97Å; L326-L329 PolarHBondContact O-N 3.25Å; L326-T330 PolarHBondContact O-N 3.14Å; L326-T330 VanDerWaalsContact O-N 3.08Å; L326-T330 PolarHBondContact O-OG1 3.08Å
327L83Confident85Confident36 Ų3670.7 Ų70.719%0.18837%0.366CS..Hα-helixtrans-65.5-42.5176.5-169.772000111.3L302 K323 E324 L329 T330 K331L302-L327 HydrophobicContact CD1-CB 4.38Å; L302-L327 HydrophobicContact CD1-CD2 3.48Å; L302-L327 VanDerWaalsContact CD1-CD2 3.48Å; K323-L327 PolarHBondContact O-N 3.05Å; E324-L327 PolarHBondContact O-N 3.22Å; L327-L329 VanDerWaalsContact C-N 3.3Å; L327-L329 PolarHBondContact O-N 2.98Å; L327-T330 PolarHBondContact O-N 2.87Å; L327-K331 HydrophobicContact CG-CG 4.47Å; L327-K331 WeakPolarHBondContact O-CB 3.33Å; L327-K331 WeakPolarHBondContact O-CG 3.34Å; L327-K331 PolarHBondContact O-N 3.45Å
328L84.5Confident85.3Confident65 Ų6571 Ų7134%0.3437%0.37SS..Hα-helixtrans-61.4-37.2175.8-70.3170.6000112A299 E324 K331 A332A299-L328 HydrophobicContact CB-CD2 3.82Å; E324-L328 HydrophobicContact CG-CD1 4.08Å; E324-L328 WeakPolarHBondContact O-CB 3.31Å; E324-L328 VanDerWaalsContact O-CG 3.27Å; E324-L328 WeakPolarHBondContact O-CG 3.29Å; E324-L328 PolarHBondContact O-N 3.37Å; L328-K331 PolarHBondContact O-N 3.38Å; L328-A332 VanDerWaalsContact O-CB 3.28Å; L328-A332 WeakPolarHBondContact O-CB 3.38Å; L328-A332 PolarHBondContact O-N 2.97Å
329L85.5Confident85.6Confident48 Ų4870 Ų7025%0.25137%0.365SS..Hα-helixtrans-65-42.7174179.860.7000112.1A325 L326 L327 A332 Q333A325-L329 WeakPolarHBondContact O-CB 3.45Å; A325-L329 PolarHBondContact O-N 3.49Å; L326-L329 PolarHBondContact O-N 3.25Å; L327-L329 VanDerWaalsContact C-N 3.3Å; L327-L329 PolarHBondContact O-N 2.98Å; L329-A332 PolarHBondContact O-N 3.06Å; L329-Q333 WeakPolarHBondContact O-CG 3.47Å; L329-Q333 PolarHBondContact O-N 2.92Å; L329-Q333 VanDerWaalsContact O-N 3.14Å
330T83.1Confident85.7Confident46 Ų4670 Ų7028%0.28237%0.369SS..Hα-helixtrans-63.5-47.3174.7-58.20000111.2L326 L327 A332 Q333 E334L326-T330 PolarHBondContact O-N 3.14Å; L326-T330 VanDerWaalsContact O-N 3.08Å; L326-T330 PolarHBondContact O-OG1 3.08Å; L327-T330 PolarHBondContact O-N 2.87Å; T330-A332 VanDerWaalsContact C-N 3.31Å; T330-A332 PolarHBondContact O-N 3.38Å; T330-Q333 WeakPolarHBondContact O-CB 3.47Å; T330-Q333 PolarHBondContact O-N 2.89Å; T330-E334 PolarHBondContact O-N 3.26Å
331K86.7Confident85.9Confident86 Ų8671 Ų7137%0.37438%0.375SS..Hα-helixtrans-63.1-34.8177.7-72.3-74.6160.9-160.40112.6L327 L328 Q333 E334 A335L327-K331 HydrophobicContact CG-CG 4.47Å; L327-K331 WeakPolarHBondContact O-CB 3.33Å; L327-K331 WeakPolarHBondContact O-CG 3.34Å; L327-K331 PolarHBondContact O-N 3.45Å; L328-K331 PolarHBondContact O-N 3.38Å; K331-Q333 VanDerWaalsContact C-N 3.35Å; K331-E334 WeakPolarHBondContact CD-OE2 3.27Å; K331-E334 WeakPolarHBondContact CE-OE2 3.41Å; K331-E334 IonicContact NZ-OE1 3.47Å; K331-E334 IonicContact NZ-OE2 3.52Å; K331-E334 PolarHBondContact NZ-OE2 3.23Å; K331-E334 PolarHBondContact O-N 2.94Å; K331-A335 VanDerWaalsContact O-CB 3.28Å; K331-A335 WeakPolarHBondContact O-CB 3.24Å; K331-A335 PolarHBondContact O-N 3.03Å
332A83.5Confident86Confident56 Ų5670.3 Ų70.346%0.46337%0.374SS..Hα-helixtrans-65.9-34.5172.300000112.9L328 L329 T330 A336L328-A332 VanDerWaalsContact O-CB 3.28Å; L328-A332 WeakPolarHBondContact O-CB 3.38Å; L328-A332 PolarHBondContact O-N 2.97Å; L329-A332 PolarHBondContact O-N 3.06Å; T330-A332 VanDerWaalsContact C-N 3.31Å; T330-A332 PolarHBondContact O-N 3.38Å; A332-A336 VanDerWaalsContact O-CB 3.22Å; A332-A336 WeakPolarHBondContact O-CB 3.27Å; A332-A336 PolarHBondContact O-N 3.46Å
333Q86.3Confident86.1Confident90 Ų9068.9 Ų68.942%0.42137%0.367SS..Hα-helixtrans-70.6-43.1174.3-69.5175.222.400111.9L329 T330 K331 A336 H337L329-Q333 WeakPolarHBondContact O-CG 3.47Å; L329-Q333 PolarHBondContact O-N 2.92Å; L329-Q333 VanDerWaalsContact O-N 3.14Å; T330-Q333 WeakPolarHBondContact O-CB 3.47Å; T330-Q333 PolarHBondContact O-N 2.89Å; K331-Q333 VanDerWaalsContact C-N 3.35Å; Q333-A336 PolarHBondContact O-N 3.01Å; Q333-H337 WeakPolarHBondContact O-CB 3.46Å; Q333-H337 PolarHBondContact O-N 3.29Å
334E84.4Confident86.1Confident95 Ų9568.8 Ų68.844%0.44436%0.364SS..Hα-helixtrans-59-49.9173.6-69.8171.3-168.400111.1T330 K331 A336 H337 M338T330-E334 PolarHBondContact O-N 3.26Å; K331-E334 WeakPolarHBondContact CD-OE2 3.27Å; K331-E334 WeakPolarHBondContact CE-OE2 3.41Å; K331-E334 IonicContact NZ-OE1 3.47Å; K331-E334 IonicContact NZ-OE2 3.52Å; K331-E334 PolarHBondContact NZ-OE2 3.23Å; K331-E334 PolarHBondContact O-N 2.94Å; E334-A336 PolarHBondContact O-N 2.95Å; E334-H337 PolarHBondContact O-N 3.22Å; E334-M338 WeakPolarHBondContact O-CB 3.28Å; E334-M338 PolarHBondContact O-N 3.38Å
335A85.1Confident86.4Confident17 Ų1773 Ų7314%0.1438%0.383CS..Hα-helixtrans-62-41.9177.900000112.6K331 M338 Q339K331-A335 VanDerWaalsContact O-CB 3.28Å; K331-A335 WeakPolarHBondContact O-CB 3.24Å; K331-A335 PolarHBondContact O-N 3.03Å; A335-M338 PolarHBondContact O-N 3.24Å; A335-Q339 VanDerWaalsContact O-CB 3.27Å; A335-Q339 WeakPolarHBondContact O-CB 3.41Å; A335-Q339 PolarHBondContact O-N 3.04Å
336A87.9Confident86.2Confident58 Ų5872.8 Ų72.848%0.47938%0.381SS..Hα-helixtrans-65.6-38.2177.300000112.7A332 Q333 E334 M340A332-A336 VanDerWaalsContact O-CB 3.22Å; A332-A336 WeakPolarHBondContact O-CB 3.27Å; A332-A336 PolarHBondContact O-N 3.46Å; Q333-A336 PolarHBondContact O-N 3.01Å; E334-A336 PolarHBondContact O-N 2.95Å; A336-M340 WeakPolarHBondContact O-CB 3.31Å; A336-M340 PolarHBondContact O-N 3.23Å
337H87.1Confident85.8Confident141 Ų14175.3 Ų75.365%0.65339%0.386SS*.Hα-helixtrans-67.7-44.6175.2-173.5-84.5000111.6Q333 E334 M340 E341Q333-H337 WeakPolarHBondContact O-CB 3.46Å; Q333-H337 PolarHBondContact O-N 3.29Å; E334-H337 PolarHBondContact O-N 3.22Å; H337-M340 PolarHBondContact O-N 3.06Å; H337-E341 PolarHBondContact O-N 3.26Å; H337-E341 VanDerWaalsContact O-N 3.07Å
338M90Very high85.1Confident68 Ų6879.1 Ų79.134%0.33540%0.403SS..Hα-helixtrans-61.2-45.6175.7179.5171.25800112F50 E334 A335 M340 E341 V342F50-M338 HydrophobicContact CD1-CE 3.39Å; F50-M338 HydrophobicContact CD1-SD 4.44Å; F50-M338 HydrophobicContact CE1-CE 3.29Å; F50-M338 HydrophobicContact CE1-SD 3.74Å; F50-M338 HydrophobicContact CG-CE 4.22Å; F50-M338 HydrophobicContact CZ-CE 4.06Å; F50-M338 HydrophobicContact CZ-SD 4.13Å; E334-M338 WeakPolarHBondContact O-CB 3.28Å; E334-M338 PolarHBondContact O-N 3.38Å; A335-M338 PolarHBondContact O-N 3.24Å; M338-M340 PolarHBondContact O-N 3.41Å; M338-E341 PolarHBondContact O-N 3.37Å; M338-V342 WeakPolarHBondContact O-CG2 3.33Å; M338-V342 PolarHBondContact O-N 2.75Å
339Q90.2Very high83.9Confident46 Ų4680 Ų8022%0.21541%0.414CS..Hα-helixtrans-61-42.8176.9178.560.526.600111.8A335 E341 V342 E343A335-Q339 VanDerWaalsContact O-CB 3.27Å; A335-Q339 WeakPolarHBondContact O-CB 3.41Å; A335-Q339 PolarHBondContact O-N 3.04Å; Q339-E341 VanDerWaalsContact C-N 3.29Å; Q339-E341 PolarHBondContact O-N 3.18Å; Q339-V342 PolarHBondContact O-N 3.26Å; Q339-E343 PolarHBondContact NE2-OE1 3.12Å; Q339-E343 WeakPolarHBondContact O-CG 3.48Å; Q339-E343 PolarHBondContact O-N 2.91Å
340M88.3Confident82.7Confident135 Ų13580.5 Ų80.567%0.66543%0.426SS*.Hα-helixtrans-61-38.6175.8-171.5-178.8-59.300112A336 H337 M338 R344A336-M340 WeakPolarHBondContact O-CB 3.31Å; A336-M340 PolarHBondContact O-N 3.23Å; H337-M340 PolarHBondContact O-N 3.06Å; M338-M340 PolarHBondContact O-N 3.41Å; M340-R344 WeakPolarHBondContact O-CB 3.15Å; M340-R344 PolarHBondContact O-N 3.28Å
341E89.3Confident81.4Confident56 Ų5683.6 Ų83.626%0.26245%0.446SS..Hα-helixtrans-70.7-40.7175.9177.854.3-158.300112.4H337 M338 Q339 E343 R344 Q345H337-E341 PolarHBondContact O-N 3.26Å; H337-E341 VanDerWaalsContact O-N 3.07Å; M338-E341 PolarHBondContact O-N 3.37Å; Q339-E341 VanDerWaalsContact C-N 3.29Å; Q339-E341 PolarHBondContact O-N 3.18Å; E341-E343 VanDerWaalsContact C-N 3.34Å; E341-E343 PolarHBondContact O-N 2.97Å; E341-R344 WeakPolarHBondContact O-CB 3.47Å; E341-R344 PolarHBondContact O-N 3.18Å; E341-R344 IonicContact OE1-CZ 2.81Å; E341-R344 IonicContact OE1-NE 3.18Å; E341-R344 PolarHBondContact OE1-NE 2.75Å; E341-R344 IonicContact OE1-NH2 2.81Å; E341-R344 PolarHBondContact OE1-NH2 3.11Å; E341-R344 IonicContact OE2-CZ 3.19Å; E341-R344 VanDerWaalsContact OE2-CZ 3.29Å; E341-R344 IonicContact OE2-NE 2.7Å; E341-R344 PolarHBondContact OE2-NE 2.65Å; E341-R344 IonicContact OE2-NH2 3.43Å; E341-R344 PolarHBondContact OE2-NH2 3.19Å; E341-Q345 WeakPolarHBondContact O-CG 3.43Å; E341-Q345 PolarHBondContact O-N 3.18Å; E341-Q345 WeakPolarHBondContact OE1-CG 3.46Å; E341-Q345 PolarHBondContact OE1-NE2 2.93Å
342V89.7Confident80.2Confident66 Ų6681 Ų8140%0.444%0.444SS..Hα-helixtrans-59.1-44.8173.4168.70000110.8M338 Q339 Q345 A346M338-V342 WeakPolarHBondContact O-CG2 3.33Å; M338-V342 PolarHBondContact O-N 2.75Å; Q339-V342 PolarHBondContact O-N 3.26Å; V342-Q345 PolarHBondContact O-N 2.83Å; V342-A346 WeakPolarHBondContact O-CB 3.35Å; V342-A346 PolarHBondContact O-N 3.36Å
343E87.6Confident79.2Confident70 Ų7082.6 Ų82.633%0.32746%0.457SS..Hα-helixtrans-65.8-39174.8-72.9179.4-147.900112.4Q339 E341 Q345 A346 R347Q339-E343 PolarHBondContact NE2-OE1 3.12Å; Q339-E343 WeakPolarHBondContact O-CG 3.48Å; Q339-E343 PolarHBondContact O-N 2.91Å; E341-E343 VanDerWaalsContact C-N 3.34Å; E341-E343 PolarHBondContact O-N 2.97Å; E343-Q345 VanDerWaalsContact C-N 3.3Å; E343-Q345 PolarHBondContact O-N 3.47Å; E343-A346 PolarHBondContact O-N 3.43Å; E343-R347 WeakPolarHBondContact O-CB 3.35Å; E343-R347 VanDerWaalsContact O-CG 3.23Å; E343-R347 WeakPolarHBondContact O-CG 3.37Å; E343-R347 PolarHBondContact O-N 3.38Å
344R86.1Confident78Confident112 Ų11279.1 Ų79.142%0.42344%0.441SS..Hα-helixtrans-61.4-38.5174.8-165.2-165.567.4122.6-2.5111.6M340 E341 Q348M340-R344 WeakPolarHBondContact O-CB 3.15Å; M340-R344 PolarHBondContact O-N 3.28Å; E341-R344 WeakPolarHBondContact O-CB 3.47Å; E341-R344 PolarHBondContact O-N 3.18Å; E341-R344 IonicContact OE1-CZ 2.81Å; E341-R344 IonicContact OE1-NE 3.18Å; E341-R344 PolarHBondContact OE1-NE 2.75Å; E341-R344 IonicContact OE1-NH2 2.81Å; E341-R344 PolarHBondContact OE1-NH2 3.11Å; E341-R344 IonicContact OE2-CZ 3.19Å; E341-R344 VanDerWaalsContact OE2-CZ 3.29Å; E341-R344 IonicContact OE2-NE 2.7Å; E341-R344 PolarHBondContact OE2-NE 2.65Å; E341-R344 IonicContact OE2-NH2 3.43Å; E341-R344 PolarHBondContact OE2-NH2 3.19Å; R344-Q348 WeakPolarHBondContact O-CG 3.46Å; R344-Q348 PolarHBondContact O-N 2.92Å; R344-Q348 PolarHBondContact O-NE2 2.95Å; R344-Q348 VanDerWaalsContact O-NE2 3.11Å
345Q84.4Confident77.3Confident108 Ų10875.9 Ų75.951%0.50543%0.427SS..Hα-helixtrans-73.6-43.6176.3-70.3-179.223.700111.9E341 V342 E343 R347 Q348 S349E341-Q345 WeakPolarHBondContact O-CG 3.43Å; E341-Q345 PolarHBondContact O-N 3.18Å; E341-Q345 WeakPolarHBondContact OE1-CG 3.46Å; E341-Q345 PolarHBondContact OE1-NE2 2.93Å; V342-Q345 PolarHBondContact O-N 2.83Å; E343-Q345 VanDerWaalsContact C-N 3.3Å; E343-Q345 PolarHBondContact O-N 3.47Å; Q345-R347 VanDerWaalsContact C-N 3.3Å; Q345-R347 PolarHBondContact O-N 3.24Å; Q345-Q348 PolarHBondContact O-N 3.41Å; Q345-S349 WeakPolarHBondContact O-CB 3.32Å; Q345-S349 PolarHBondContact O-N 3.4Å; Q345-S349 PolarHBondContact O-OG 3.31Å
346A82.8Confident76.2Confident55 Ų5579.6 Ų79.646%0.45546%0.458SS..Hα-helixtrans-57.4-42.4176.100000112.1V342 E343 Q348 S349V342-A346 WeakPolarHBondContact O-CB 3.35Å; V342-A346 PolarHBondContact O-N 3.36Å; E343-A346 PolarHBondContact O-N 3.43Å; A346-Q348 VanDerWaalsContact C-N 3.29Å; A346-Q348 PolarHBondContact O-N 2.87Å; A346-S349 PolarHBondContact O-N 2.85Å; A346-S349 PolarHBondContact O-OG 3.16Å; A346-S349 VanDerWaalsContact O-OG 3.08Å
347R75.9Confident74.9Confident127 Ų12782.5 Ų82.548%0.47947%0.465SS..Hα-helixtrans-66.7-25.7176.1-68.8170-168.3-72.4-4.9113.7E343 Q345 E398E343-R347 WeakPolarHBondContact O-CB 3.35Å; E343-R347 VanDerWaalsContact O-CG 3.23Å; E343-R347 WeakPolarHBondContact O-CG 3.37Å; E343-R347 PolarHBondContact O-N 3.38Å; Q345-R347 VanDerWaalsContact C-N 3.3Å; Q345-R347 PolarHBondContact O-N 3.24Å; R347-E398 IonicContact CZ-OE1 3.06Å; R347-E398 IonicContact CZ-OE2 3.58Å; R347-E398 IonicContact NH1-OE1 2.73Å; R347-E398 PolarHBondContact NH1-OE1 3.24Å; R347-E398 IonicContact NH1-OE2 3.85Å; R347-E398 PolarHBondContact NH1-OE2 3.02Å; R347-E398 IonicContact NH2-OE1 2.72Å; R347-E398 PolarHBondContact NH2-OE1 3.3Å
348Q69.3Low73.8Confident117 Ų11777.3 Ų77.355%0.54744%0.441SS..Hα-helixtrans-87.8-26.8175.9-74.3176.770.800113.4R344 Q345 A346R344-Q348 WeakPolarHBondContact O-CG 3.46Å; R344-Q348 PolarHBondContact O-N 2.92Å; R344-Q348 PolarHBondContact O-NE2 2.95Å; R344-Q348 VanDerWaalsContact O-NE2 3.11Å; Q345-Q348 PolarHBondContact O-N 3.41Å; A346-Q348 VanDerWaalsContact C-N 3.29Å; A346-Q348 PolarHBondContact O-N 2.87Å
349S59.6Low72.5Confident83 Ų8377.3 Ų77.358%0.5846%0.459SS*.Hα-helixtrans-81.3-21.6-17468.60000113.8Q345 A346 P351Q345-S349 WeakPolarHBondContact O-CB 3.32Å; Q345-S349 PolarHBondContact O-N 3.4Å; Q345-S349 PolarHBondContact O-OG 3.31Å; A346-S349 PolarHBondContact O-N 2.85Å; A346-S349 PolarHBondContact O-OG 3.16Å; A346-S349 VanDerWaalsContact O-OG 3.08Å; S349-P351 WeakPolarHBondContact O-CD 3.32Å; S349-P351 WeakPolarHBondContact O-CG 3.43Å; S349-P351 VanDerWaalsContact O-N 3.11Å
350A59.5Low71.2Confident59 Ų5976.8 Ų76.849%0.48846%0.459SS..  trans-60.8103.7-175.100000113.1G352A350-G352 PolarHBondContact O-N 3.17Å
351P56.3Low70Confident110 Ų11072.5 Ų72.571%0.71444%0.442SS*.  trans-81.2112.9179.9-2.222.4000108S349S349-P351 WeakPolarHBondContact O-CD 3.32Å; S349-P351 WeakPolarHBondContact O-CG 3.43Å; S349-P351 VanDerWaalsContact O-N 3.11Å
352G61.6Low68.8Low32 Ų3271.3 Ų71.333%0.3344%0.437SS..  trans-62.8138.3-179.800000111A350 L354 D355A350-G352 PolarHBondContact O-N 3.17Å; G352-L354 PolarHBondContact O-N 3.08Å; G352-D355 WeakPolarHBondContact O-CB 3.41Å; G352-D355 PolarHBondContact O-N 3.36Å
353A61.4Low67.4Low89 Ų8970.9 Ų70.974%0.73644%0.437SS*.Hα-helixtrans-57.7-22.8175.400000112.6D355 L357A353-D355 VanDerWaalsContact C-N 3.35Å; A353-L357 PolarHBondContact O-N 3.03Å
354L62.5Low66.1Low17 Ų1774.1 Ų74.19%0.08945%0.452CS..Hα-helixtrans-63.7-31.9170.5-73.1-150000114.4G352 A356 L357 I358 L362 I383 I384 D387G352-L354 PolarHBondContact O-N 3.08Å; L354-A356 PolarHBondContact O-N 3.17Å; L354-L357 HydrophobicContact CD2-CD2 4.3Å; L354-L357 PolarHBondContact O-N 2.95Å; L354-L357 VanDerWaalsContact O-N 3.09Å; L354-I358 HydrophobicContact CB-CD1 4.21Å; L354-I358 HydrophobicContact CD1-CD1 3.93Å; L354-I358 HydrophobicContact CD2-CD1 4.47Å; L354-I358 HydrophobicContact CG-CD1 4.45Å; L354-I358 WeakPolarHBondContact O-CB 3.22Å; L354-I358 PolarHBondContact O-N 3.34Å; L354-L362 HydrophobicContact CB-CD1 3.73Å; L354-L362 HydrophobicContact CD1-CD1 4.2Å; L354-I383 HydrophobicContact CD1-CG2 4.06Å; L354-I383 HydrophobicContact CD2-CG2 3.42Å; L354-I383 VanDerWaalsContact CD2-CG2 3.42Å; L354-I383 HydrophobicContact CG-CG2 4.42Å; L354-I384 HydrophobicContact CD1-CG1 4.36Å; L354-D387 HydrophobicContact CD1-CB 3.33Å; L354-D387 VanDerWaalsContact CD1-CG 3.46Å; L354-D387 HydrophobicContact CG-CB 3.95Å
355D68Low65Low27 Ų2773.5 Ų73.514%0.14445%0.454CS..Hα-helixtrans-60.1-40-178-67.7-4.6000110.4G352 A353 G359 V360 L362 S363G352-D355 WeakPolarHBondContact O-CB 3.41Å; G352-D355 PolarHBondContact O-N 3.36Å; A353-D355 VanDerWaalsContact C-N 3.35Å; D355-G359 WeakPolarHBondContact O-CA 3.44Å; D355-G359 PolarHBondContact O-N 3.28Å; D355-V360 WeakPolarHBondContact CA-O 3.42Å; D355-L362 WeakPolarHBondContact OD1-CA 3.3Å; D355-L362 WeakPolarHBondContact OD1-CB 3.37Å; D355-L362 PolarHBondContact OD1-N 3.05Å; D355-S363 PolarHBondContact OD1-N 3.35Å; D355-S363 WeakPolarHBondContact OD2-CB 3.36Å; D355-S363 PolarHBondContact OD2-OG 3Å
356A62.7Low64.3Low95 Ų9578.5 Ų78.579%0.78547%0.474SS*.Hα-helixtrans-73.3-34.8175.200000113.4L354L354-A356 PolarHBondContact O-N 3.17Å
357L61.5Low63.8Low120 Ų12084.5 Ų84.563%0.62849%0.49SS*.Hα-helixtrans-77.3-27.1-179-176.359.1000113.2A353 L354 I383A353-L357 PolarHBondContact O-N 3.03Å; L354-L357 HydrophobicContact CD2-CD2 4.3Å; L354-L357 PolarHBondContact O-N 2.95Å; L354-L357 VanDerWaalsContact O-N 3.09Å; L357-I383 HydrophobicContact CD2-CD1 4.42Å; L357-I383 HydrophobicContact CD2-CG2 4.25Å
358I63.8Low63.8Low31 Ų3180.7 Ų80.716%0.15948%0.479CS..Hα-helixtrans-110.8-16.9-172.3-63.4175.4000112L354 V360 L362 M376 I383 I384L354-I358 HydrophobicContact CB-CD1 4.21Å; L354-I358 HydrophobicContact CD1-CD1 3.93Å; L354-I358 HydrophobicContact CD2-CD1 4.47Å; L354-I358 HydrophobicContact CG-CD1 4.45Å; L354-I358 WeakPolarHBondContact O-CB 3.22Å; L354-I358 PolarHBondContact O-N 3.34Å; I358-V360 VanDerWaalsContact C-N 3.27Å; I358-V360 HydrophobicContact CG2-CB 4.3Å; I358-V360 HydrophobicContact CG2-CG2 4.33Å; I358-V360 PolarHBondContact O-N 3.47Å; I358-L362 HydrophobicContact CB-CD1 4.36Å; I358-L362 HydrophobicContact CD1-CD1 3.89Å; I358-L362 HydrophobicContact CG2-CD1 4.46Å; I358-M376 HydrophobicContact CG2-CE 3.55Å; I358-I383 HydrophobicContact CD1-CG2 4.21Å; I358-I384 HydrophobicContact CD1-CD1 4Å; I358-I384 HydrophobicContact CD1-CG1 3.49Å; I358-I384 VanDerWaalsContact CD1-CG1 3.49Å
359G62.4Low64.5Low69 Ų6977.3 Ų77.371%0.71147%0.468SS*.THydrogen-bonded Turntrans71.222.2179.400000113.6D355D355-G359 WeakPolarHBondContact O-CA 3.44Å; D355-G359 PolarHBondContact O-N 3.28Å
360V63.4Low65.7Low35 Ų3583.5 Ų83.521%0.21248%0.479CS..SBendtrans-137.5127.3179.3178.90000107.3D355 I358 L362 L368 M376D355-V360 WeakPolarHBondContact CA-O 3.42Å; I358-V360 VanDerWaalsContact C-N 3.27Å; I358-V360 HydrophobicContact CG2-CB 4.3Å; I358-V360 HydrophobicContact CG2-CG2 4.33Å; I358-V360 PolarHBondContact O-N 3.47Å; V360-L362 PolarHBondContact O-N 3.29Å; V360-L368 HydrophobicContact CG1-CD2 4.47Å; V360-M376 HydrophobicContact CG2-CE 4Å
361S62.3Low66.9Low44 Ų4484.4 Ų84.431%0.30848%0.481SS..  trans-70.689.417645.30000111.1Q365S361-Q365 WeakPolarHBondContact O-CG 3.23Å
362L64.3Low68.2Low32 Ų3282.1 Ų82.117%0.16846%0.461CS..THydrogen-bonded Turntrans-69.3-41.1175.2-70.4142000110L354 D355 I358 V360 Q364 Q365 L368 I384L354-L362 HydrophobicContact CB-CD1 3.73Å; L354-L362 HydrophobicContact CD1-CD1 4.2Å; D355-L362 WeakPolarHBondContact OD1-CA 3.3Å; D355-L362 WeakPolarHBondContact OD1-CB 3.37Å; D355-L362 PolarHBondContact OD1-N 3.05Å; I358-L362 HydrophobicContact CB-CD1 4.36Å; I358-L362 HydrophobicContact CD1-CD1 3.89Å; I358-L362 HydrophobicContact CG2-CD1 4.46Å; V360-L362 PolarHBondContact O-N 3.29Å; L362-Q364 VanDerWaalsContact C-N 3.25Å; L362-Q364 PolarHBondContact O-N 2.96Å; L362-Q365 PolarHBondContact O-N 3.03Å; L362-L368 HydrophobicContact CD2-CD1 3.63Å; L362-L368 HydrophobicContact CD2-CD2 3.88Å; L362-L368 HydrophobicContact CD2-CG 4.17Å; L362-I384 HydrophobicContact CD1-CG1 4.44Å; L362-I384 HydrophobicContact CD2-CD1 4.27Å; L362-I384 HydrophobicContact CD2-CG1 4.3Å; L362-I384 HydrophobicContact CD2-CG2 4.36Å
363S60.4Low69.3Low56 Ų5683.5 Ų83.539%0.39246%0.461SS..THydrogen-bonded Turntrans-49.8-41.7177.8580000113.8D355D355-S363 PolarHBondContact OD1-N 3.35Å; D355-S363 WeakPolarHBondContact OD2-CB 3.36Å; D355-S363 PolarHBondContact OD2-OG 3Å
364Q59.7Low70.6Confident139 Ų13984.4 Ų84.465%0.6546%0.457SS*.THydrogen-bonded Turntrans-89.6-16.2-174.8-65.6177.9-20.500113.9L362L362-Q364 VanDerWaalsContact C-N 3.25Å; L362-Q364 PolarHBondContact O-N 2.96Å
365Q63.8Low71.8Confident98 Ų9892.3 Ų92.346%0.45849%0.491SS..  trans-103.195.1-169-68.7-63.5-29.800111.9S361 L362 K367S361-Q365 WeakPolarHBondContact O-CG 3.23Å; L362-Q365 PolarHBondContact O-N 3.03Å; Q365-K367 PolarHBondContact O-N 3.44Å
366K68.8Low72.6Confident214 Ų21492.7 Ų92.793%0.9349%0.492SS*.SBendtrans-51-18.7175.1-67.6-177.7179.5176.40114.4
367K73.8Confident73.9Confident181 Ų18191 Ų9179%0.78748%0.475SS*.SBendtrans-147.9125.2173.9-62-176.6-178.2176.20111Q365Q365-K367 PolarHBondContact O-N 3.44Å
368L75.5Confident75.3Confident46 Ų4691 Ų9124%0.24148%0.48CS..  trans-76.2134.8164-66.4173.2000110.3V360 L362 L373 I384V360-L368 HydrophobicContact CG1-CD2 4.47Å; L362-L368 HydrophobicContact CD2-CD1 3.63Å; L362-L368 HydrophobicContact CD2-CD2 3.88Å; L362-L368 HydrophobicContact CD2-CG 4.17Å; L368-L373 HydrophobicContact CB-CD1 4.22Å; L368-L373 HydrophobicContact CB-CD2 4.28Å; L368-L373 HydrophobicContact CB-CG 4.12Å; L368-L373 HydrophobicContact CD1-CD2 3.73Å; L368-L373 HydrophobicContact CD1-CG 4.46Å; L368-I384 HydrophobicContact CD1-CG2 4.42Å
369S83Confident76.5Confident46 Ų4693.9 Ų93.932%0.32250%0.499SS..  trans-76.9148.3175.470.20000111.8S371 Q372 L373S369-S371 PolarHBondContact O-N 2.93Å; S369-S371 VanDerWaalsContact O-N 3.14Å; S369-S371 PolarHBondContact OG-OG 2.9Å; S369-Q372 PolarHBondContact O-N 3.44Å; S369-Q372 WeakPolarHBondContact OG-CG 3.35Å; S369-Q372 PolarHBondContact OG-N 2.91Å; S369-Q372 PolarHBondContact OG-OE1 3.49Å; S369-L373 PolarHBondContact O-N 3.42Å; S369-L373 VanDerWaalsContact O-N 3.14Å
370R86.1Confident77.8Confident214 Ų21492.5 Ų92.581%0.80848%0.478SS*.Hα-helixtrans-55.3-33.1176.5-175.4176.4176.6176-0.2112.3T374R370-T374 VanDerWaalsContact O-CB 3.31Å; R370-T374 WeakPolarHBondContact O-CB 3.14Å; R370-T374 PolarHBondContact O-N 2.98Å; R370-T374 PolarHBondContact O-OG1 2.97Å
371S84Confident79.1Confident77 Ų7793.8 Ų93.854%0.53848%0.483SS..Hα-helixtrans-77.5-20.4179.253.60000114.1S369 K375S369-S371 PolarHBondContact O-N 2.93Å; S369-S371 VanDerWaalsContact O-N 3.14Å; S369-S371 PolarHBondContact OG-OG 2.9Å; S371-K375 WeakPolarHBondContact O-CD 3.48Å; S371-K375 VanDerWaalsContact O-CG 3.3Å; S371-K375 WeakPolarHBondContact O-CG 3.43Å
372Q83.9Confident80.5Confident63 Ų6396.3 Ų96.329%0.29449%0.49SS..Hα-helixtrans-74.3-53.2165.8-74.2160-63.200110S369 T374 K375S369-Q372 PolarHBondContact O-N 3.44Å; S369-Q372 WeakPolarHBondContact OG-CG 3.35Å; S369-Q372 PolarHBondContact OG-N 2.91Å; S369-Q372 PolarHBondContact OG-OE1 3.49Å; Q372-T374 VanDerWaalsContact C-N 3.3Å; Q372-T374 PolarHBondContact O-N 3.19Å; Q372-K375 WeakPolarHBondContact O-CB 3.11Å; Q372-K375 PolarHBondContact O-N 3.32Å
373L85.2Confident81.7Confident60 Ų6097.3 Ų97.331%0.31450%0.495SS..Hα-helixtrans-57.7-39.8-179.2-67.5170.1000112.6L368 S369 K375 M376 L381L368-L373 HydrophobicContact CB-CD1 4.22Å; L368-L373 HydrophobicContact CB-CD2 4.28Å; L368-L373 HydrophobicContact CB-CG 4.12Å; L368-L373 HydrophobicContact CD1-CD2 3.73Å; L368-L373 HydrophobicContact CD1-CG 4.46Å; S369-L373 PolarHBondContact O-N 3.42Å; S369-L373 VanDerWaalsContact O-N 3.14Å; L373-K375 PolarHBondContact O-N 2.96Å; L373-M376 PolarHBondContact O-N 2.8Å; L373-L381 HydrophobicContact CB-CD2 4.29Å; L373-L381 HydrophobicContact CD2-CD2 3.62Å
374T88.8Confident83Confident108 Ų10895.1 Ų95.166%0.66348%0.479SS*.THydrogen-bonded Turntrans-68.6-17.2179.2-52.10000113.4R370 Q372R370-T374 VanDerWaalsContact O-CB 3.31Å; R370-T374 WeakPolarHBondContact O-CB 3.14Å; R370-T374 PolarHBondContact O-N 2.98Å; R370-T374 PolarHBondContact O-OG1 2.97Å; Q372-T374 VanDerWaalsContact C-N 3.3Å; Q372-T374 PolarHBondContact O-N 3.19Å
375K87.7Confident84.4Confident184 Ų18492 Ų9280%0.847%0.466SS*.THydrogen-bonded Turntrans-89.2-13.3176.1-70.7173.7-177.1-175.70113.3S371 Q372 L373S371-K375 WeakPolarHBondContact O-CD 3.48Å; S371-K375 VanDerWaalsContact O-CG 3.3Å; S371-K375 WeakPolarHBondContact O-CG 3.43Å; Q372-K375 WeakPolarHBondContact O-CB 3.11Å; Q372-K375 PolarHBondContact O-N 3.32Å; L373-K375 PolarHBondContact O-N 2.96Å
376M83.8Confident85.7Confident35 Ų3591.6 Ų91.617%0.17247%0.467CS..SBendtrans-83.6148.1-175.3-71.3177170.900111.3I358 V360 L373 C380 L381 I384I358-M376 HydrophobicContact CG2-CE 3.55Å; V360-M376 HydrophobicContact CG2-CE 4Å; L373-M376 PolarHBondContact O-N 2.8Å; M376-C380 HydrophobicContact CB-CB 4.06Å; M376-L381 HydrophobicContact CB-CD2 4Å; M376-L381 HydrophobicContact CB-CG 4.03Å; M376-L381 HydrophobicContact SD-CD2 4.24Å; M376-I384 HydrophobicContact CE-CD1 4.17Å; M376-I384 HydrophobicContact SD-CD1 3.51Å; M376-I384 VanDerWaalsContact SD-CD1 3.51Å
377S89.7Confident86.6Confident60 Ų6084.8 Ų84.842%0.4244%0.441SS..  trans-66.8156170.376.70000110.7T379 C380 L381S377-T379 PolarHBondContact O-N 2.98Å; S377-T379 PolarHBondContact OG-N 2.78Å; S377-C380 WeakPolarHBondContact O-CB 3.46Å; S377-C380 PolarHBondContact O-N 3.05Å; S377-C380 PolarHBondContact OG-N 2.95Å; S377-C380 VanDerWaalsContact OG-N 3.11Å; S377-C380 PolarHBondContact OG-SG 3.17Å; S377-L381 WeakPolarHBondContact O-CG 3.41Å; S377-L381 PolarHBondContact O-N 2.99Å
378T91.2Very high87.3Confident118 Ų11880.5 Ų80.572%0.72443%0.426SS*.Hα-helixtrans-55.5-35.417346.20000112.1L381 Q382T378-L381 PolarHBondContact O-N 2.74Å; T378-Q382 WeakPolarHBondContact O-CB 3.27Å; T378-Q382 PolarHBondContact O-N 2.94Å
379T89.9Confident88.1Confident93 Ų9383.1 Ų83.157%0.57144%0.437SS*.Hα-helixtrans-62-46.3173.4-46.40000112.1S377 L381 Q382 I383S377-T379 PolarHBondContact O-N 2.98Å; S377-T379 PolarHBondContact OG-N 2.78Å; T379-L381 VanDerWaalsContact C-N 3.34Å; T379-L381 PolarHBondContact O-N 3.22Å; T379-Q382 PolarHBondContact O-N 3.42Å; T379-I383 HydrophobicContact CG2-CD1 4.29Å; T379-I383 VanDerWaalsContact O-CG1 3.32Å; T379-I383 WeakPolarHBondContact O-CG1 3.43Å; T379-I383 PolarHBondContact O-N 2.95Å
380C88.5Confident88.5Confident39 Ų3982.6 Ų82.626%0.26444%0.436SS..Hα-helixtrans-62.7-41.3176.7-62.40000111.6M376 S377 Q382 I383 I384M376-C380 HydrophobicContact CB-CB 4.06Å; S377-C380 WeakPolarHBondContact O-CB 3.46Å; S377-C380 PolarHBondContact O-N 3.05Å; S377-C380 PolarHBondContact OG-N 2.95Å; S377-C380 VanDerWaalsContact OG-N 3.11Å; S377-C380 PolarHBondContact OG-SG 3.17Å; C380-Q382 VanDerWaalsContact C-N 3.35Å; C380-I383 PolarHBondContact O-N 3.01Å; C380-I384 WeakPolarHBondContact O-CG1 3.47Å; C380-I384 PolarHBondContact O-N 3.26Å
381L90.9Very high88.7Confident62 Ų6276.4 Ų76.433%0.32542%0.415SS..Hα-helixtrans-64.7-37.7176.3-65.9173.6000112.1L373 M376 S377 T378 T379 I384 L385L373-L381 HydrophobicContact CB-CD2 4.29Å; L373-L381 HydrophobicContact CD2-CD2 3.62Å; M376-L381 HydrophobicContact CB-CD2 4Å; M376-L381 HydrophobicContact CB-CG 4.03Å; M376-L381 HydrophobicContact SD-CD2 4.24Å; S377-L381 WeakPolarHBondContact O-CG 3.41Å; S377-L381 PolarHBondContact O-N 2.99Å; T378-L381 PolarHBondContact O-N 2.74Å; T379-L381 VanDerWaalsContact C-N 3.34Å; T379-L381 PolarHBondContact O-N 3.22Å; L381-I384 PolarHBondContact O-N 2.97Å; L381-L385 WeakPolarHBondContact O-CB 3.42Å; L381-L385 PolarHBondContact O-N 3Å
382Q92.1Very high89Confident97 Ų9777.2 Ų77.245%0.45341%0.412SS..Hα-helixtrans-67.8-36.3174.7-170.664.157.500112.3T378 T379 C380 L385 N386T378-Q382 WeakPolarHBondContact O-CB 3.27Å; T378-Q382 PolarHBondContact O-N 2.94Å; T379-Q382 PolarHBondContact O-N 3.42Å; C380-Q382 VanDerWaalsContact C-N 3.35Å; Q382-L385 PolarHBondContact O-N 3.4Å; Q382-N386 PolarHBondContact NE2-OD1 2.96Å; Q382-N386 WeakPolarHBondContact O-CB 3.46Å; Q382-N386 PolarHBondContact O-N 2.95Å; Q382-N386 PolarHBondContact O-OD1 3.06Å
383I89.4Confident89.5Confident54 Ų5481.2 Ų81.228%0.27742%0.424SS..Hα-helixtrans-62.8-48.4174.1-69.5164000110.1L354 L357 I358 T379 C380 L385 N386 D387L354-I383 HydrophobicContact CD1-CG2 4.06Å; L354-I383 HydrophobicContact CD2-CG2 3.42Å; L354-I383 VanDerWaalsContact CD2-CG2 3.42Å; L354-I383 HydrophobicContact CG-CG2 4.42Å; L357-I383 HydrophobicContact CD2-CD1 4.42Å; L357-I383 HydrophobicContact CD2-CG2 4.25Å; I358-I383 HydrophobicContact CD1-CG2 4.21Å; T379-I383 HydrophobicContact CG2-CD1 4.29Å; T379-I383 VanDerWaalsContact O-CG1 3.32Å; T379-I383 WeakPolarHBondContact O-CG1 3.43Å; T379-I383 PolarHBondContact O-N 2.95Å; C380-I383 PolarHBondContact O-N 3.01Å; I383-L385 VanDerWaalsContact C-N 3.34Å; I383-L385 PolarHBondContact O-N 3.02Å; I383-N386 PolarHBondContact O-N 3.47Å; I383-D387 WeakPolarHBondContact O-CB 3.44Å; I383-D387 PolarHBondContact O-N 3.23Å
384I86.6Confident89.8Confident9 Ų983 Ų835%0.04643%0.431CS..Hα-helixtrans-59.6-43.8175.6-65.6166000111L354 I358 L362 L368 M376 C380 L381 N386 D387 L388L354-I384 HydrophobicContact CD1-CG1 4.36Å; I358-I384 HydrophobicContact CD1-CD1 4Å; I358-I384 HydrophobicContact CD1-CG1 3.49Å; I358-I384 VanDerWaalsContact CD1-CG1 3.49Å; L362-I384 HydrophobicContact CD1-CG1 4.44Å; L362-I384 HydrophobicContact CD2-CD1 4.27Å; L362-I384 HydrophobicContact CD2-CG1 4.3Å; L362-I384 HydrophobicContact CD2-CG2 4.36Å; L368-I384 HydrophobicContact CD1-CG2 4.42Å; M376-I384 HydrophobicContact CE-CD1 4.17Å; M376-I384 HydrophobicContact SD-CD1 3.51Å; M376-I384 VanDerWaalsContact SD-CD1 3.51Å; C380-I384 WeakPolarHBondContact O-CG1 3.47Å; C380-I384 PolarHBondContact O-N 3.26Å; L381-I384 PolarHBondContact O-N 2.97Å; I384-N386 PolarHBondContact O-N 2.79Å; I384-D387 PolarHBondContact O-N 3.43Å; I384-L388 HydrophobicContact CG2-CD1 3.82Å; I384-L388 HydrophobicContact CG2-CG 4.26Å; I384-L388 WeakPolarHBondContact O-CB 3.47Å; I384-L388 VanDerWaalsContact O-CG 3.28Å; I384-L388 WeakPolarHBondContact O-CG 3.32Å; I384-L388 PolarHBondContact O-N 3.2Å
385L89.7Confident89.9Confident73 Ų7381.4 Ų81.438%0.38242%0.418SS..Hα-helixtrans-62.8-42.7178.8-178.360.9000112.2L381 Q382 I383 H389L381-L385 WeakPolarHBondContact O-CB 3.42Å; L381-L385 PolarHBondContact O-N 3Å; Q382-L385 PolarHBondContact O-N 3.4Å; I383-L385 VanDerWaalsContact C-N 3.34Å; I383-L385 PolarHBondContact O-N 3.02Å; L385-H389 WeakPolarHBondContact O-CB 3.39Å; L385-H389 VanDerWaalsContact O-CG 3.23Å; L385-H389 PolarHBondContact O-N 3.09Å
386N91.7Very high90.4Very high90 Ų9077.1 Ų77.148%0.48140%0.404SS..Hα-helixtrans-66.2-38.4178.7-71-3.1000112.1Q382 I383 I384 H389 A390Q382-N386 PolarHBondContact NE2-OD1 2.96Å; Q382-N386 WeakPolarHBondContact O-CB 3.46Å; Q382-N386 PolarHBondContact O-N 2.95Å; Q382-N386 PolarHBondContact O-OD1 3.06Å; I383-N386 PolarHBondContact O-N 3.47Å; I384-N386 PolarHBondContact O-N 2.79Å; N386-H389 CarbonylContact O-C 3.59Å; N386-H389 PolarHBondContact O-N 3.42Å; N386-A390 PolarHBondContact O-N 2.98Å
387D87.6Confident91Very high72 Ų7279.4 Ų79.439%0.38542%0.417SS..Hα-helixtrans-70.3-43.8176.6-177.378.2000112.1L354 I383 I384 H389 A390 K391L354-D387 HydrophobicContact CD1-CB 3.33Å; L354-D387 VanDerWaalsContact CD1-CG 3.46Å; L354-D387 HydrophobicContact CG-CB 3.95Å; I383-D387 WeakPolarHBondContact O-CB 3.44Å; I383-D387 PolarHBondContact O-N 3.23Å; I384-D387 PolarHBondContact O-N 3.43Å; D387-H389 VanDerWaalsContact C-N 3.31Å; D387-H389 PolarHBondContact O-N 2.81Å; D387-A390 CarbonylContact O-C 3.54Å; D387-A390 WeakPolarHBondContact O-CA 3.22Å; D387-A390 WeakPolarHBondContact O-CB 3.4Å; D387-A390 PolarHBondContact O-N 3.34Å; D387-K391 PolarHBondContact O-N 3.04Å
388L89Confident91.2Very high91 Ų9179.1 Ų79.148%0.47641%0.409SS..Hα-helixtrans-59.4-42.1171.2-70.4172.8000111.5I384 A390 K391 I392I384-L388 HydrophobicContact CG2-CD1 3.82Å; I384-L388 HydrophobicContact CG2-CG 4.26Å; I384-L388 WeakPolarHBondContact O-CB 3.47Å; I384-L388 VanDerWaalsContact O-CG 3.28Å; I384-L388 WeakPolarHBondContact O-CG 3.32Å; I384-L388 PolarHBondContact O-N 3.2Å; L388-A390 VanDerWaalsContact C-N 3.25Å; L388-A390 PolarHBondContact O-N 3.08Å; L388-K391 PolarHBondContact O-N 3.08Å; L388-I392 WeakPolarHBondContact O-CB 3.38Å; L388-I392 WeakPolarHBondContact O-CD1 3.49Å; L388-I392 WeakPolarHBondContact O-CG1 3.31Å; L388-I392 PolarHBondContact O-N 2.84Å
389H92.2Very high91.4Very high101 Ų10178 Ų7847%0.46840%0.398SS..Hα-helixtrans-67.7-20.1172.3-71.5169.9000113.9L385 N386 D387 R393L385-H389 WeakPolarHBondContact O-CB 3.39Å; L385-H389 VanDerWaalsContact O-CG 3.23Å; L385-H389 PolarHBondContact O-N 3.09Å; N386-H389 CarbonylContact O-C 3.59Å; N386-H389 PolarHBondContact O-N 3.42Å; D387-H389 VanDerWaalsContact C-N 3.31Å; D387-H389 PolarHBondContact O-N 2.81Å; H389-R393 WeakPolarHBondContact O-CG 3.19Å; H389-R393 PolarHBondContact O-NE 3Å
390A90.4Very high91.7Very high35 Ų3579.4 Ų79.429%0.28940%0.399SS..Hα-helixtrans-79.5-48.2169.900000110.9N386 D387 L388 I392 R393 E394N386-A390 PolarHBondContact O-N 2.98Å; D387-A390 CarbonylContact O-C 3.54Å; D387-A390 WeakPolarHBondContact O-CA 3.22Å; D387-A390 WeakPolarHBondContact O-CB 3.4Å; D387-A390 PolarHBondContact O-N 3.34Å; L388-A390 VanDerWaalsContact C-N 3.25Å; L388-A390 PolarHBondContact O-N 3.08Å; A390-I392 VanDerWaalsContact C-N 3.34Å; A390-I392 PolarHBondContact O-N 3.31Å; A390-R393 PolarHBondContact O-N 3.5Å; A390-R393 VanDerWaalsContact O-N 3.09Å; A390-E394 PolarHBondContact O-N 3.26Å
391K89.5Confident92.1Very high84 Ų8483.9 Ų83.937%0.36542%0.417SS..Hα-helixtrans-66.6-33.2-178.8-164.452.9163.9-175.60113.1D387 L388 R393 E394 L395D387-K391 PolarHBondContact O-N 3.04Å; L388-K391 PolarHBondContact O-N 3.08Å; K391-R393 VanDerWaalsContact C-N 3.35Å; K391-E394 HydrophobicContact CD-CB 4.38Å; K391-E394 WeakPolarHBondContact CD-OE2 3.5Å; K391-E394 IonicContact NZ-OE1 2.7Å; K391-E394 PolarHBondContact NZ-OE1 3.01Å; K391-E394 IonicContact NZ-OE2 2.83Å; K391-E394 PolarHBondContact NZ-OE2 3.49Å; K391-L395 HydrophobicContact CD-CD1 4.31Å; K391-L395 HydrophobicContact CD-CG 4.15Å; K391-L395 HydrophobicContact CG-CD1 3.94Å; K391-L395 HydrophobicContact CG-CG 4.28Å; K391-L395 VanDerWaalsContact O-CB 3.3Å; K391-L395 WeakPolarHBondContact O-CB 3.45Å; K391-L395 VanDerWaalsContact O-CG 3.24Å; K391-L395 WeakPolarHBondContact O-CG 3.26Å; K391-L395 PolarHBondContact O-N 3Å
392I91.8Very high92.2Very high93 Ų9384.5 Ų84.548%0.47742%0.42SS..Hα-helixtrans-63-40.2171.5-72164.3000111.3L388 A390 N396L388-I392 WeakPolarHBondContact O-CB 3.38Å; L388-I392 WeakPolarHBondContact O-CD1 3.49Å; L388-I392 WeakPolarHBondContact O-CG1 3.31Å; L388-I392 PolarHBondContact O-N 2.84Å; A390-I392 VanDerWaalsContact C-N 3.34Å; A390-I392 PolarHBondContact O-N 3.31Å; I392-N396 VanDerWaalsContact O-CB 3.31Å; I392-N396 WeakPolarHBondContact O-CB 3.37Å; I392-N396 PolarHBondContact O-N 2.91Å; I392-N396 VanDerWaalsContact O-N 3.12Å; I392-N396 PolarHBondContact O-ND2 3.3Å
393R94.2Very high92.3Very high148 Ų14883.8 Ų83.856%0.55842%0.419SS*.Hα-helixtrans-68.7-51.6175.5-72.1177.9-67.5113.2-6.6110.7H389 A390 K391 L395 N396 D397H389-R393 WeakPolarHBondContact O-CG 3.19Å; H389-R393 PolarHBondContact O-NE 3Å; A390-R393 PolarHBondContact O-N 3.5Å; A390-R393 VanDerWaalsContact O-N 3.09Å; K391-R393 VanDerWaalsContact C-N 3.35Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 2.88Å; R393-N396 PolarHBondContact O-N 3.08Å; R393-D397 WeakPolarHBondContact O-CB 3.31Å; R393-D397 PolarHBondContact O-N 2.8Å
394E91.8Very high92.6Very high98 Ų9885.5 Ų85.546%0.45843%0.431SS..Hα-helixtrans-51.9-47.7178-167.5-155.3137.400112.5A390 K391 D397 E398A390-E394 PolarHBondContact O-N 3.26Å; K391-E394 HydrophobicContact CD-CB 4.38Å; K391-E394 WeakPolarHBondContact CD-OE2 3.5Å; K391-E394 IonicContact NZ-OE1 2.7Å; K391-E394 PolarHBondContact NZ-OE1 3.01Å; K391-E394 IonicContact NZ-OE2 2.83Å; K391-E394 PolarHBondContact NZ-OE2 3.49Å; E394-D397 PolarHBondContact O-N 2.94Å; E394-E398 VanDerWaalsContact O-CB 3.27Å; E394-E398 WeakPolarHBondContact O-CB 3.45Å; E394-E398 PolarHBondContact O-N 3.11Å
395L91.3Very high92.9Very high74 Ų7488.3 Ų88.339%0.38744%0.444SS..Hα-helixtrans-71.4-30.2179.1-69.6171.9000113.3K391 R393 L399K391-L395 HydrophobicContact CD-CD1 4.31Å; K391-L395 HydrophobicContact CD-CG 4.15Å; K391-L395 HydrophobicContact CG-CD1 3.94Å; K391-L395 HydrophobicContact CG-CG 4.28Å; K391-L395 VanDerWaalsContact O-CB 3.3Å; K391-L395 WeakPolarHBondContact O-CB 3.45Å; K391-L395 VanDerWaalsContact O-CG 3.24Å; K391-L395 WeakPolarHBondContact O-CG 3.26Å; K391-L395 PolarHBondContact O-N 3Å; R393-L395 VanDerWaalsContact C-N 3.32Å; R393-L395 PolarHBondContact O-N 2.88Å; L395-L399 WeakPolarHBondContact O-CB 3.43Å; L395-L399 PolarHBondContact O-N 3.28Å
396N96.1Very high93.1Very high93 Ų9388.8 Ų88.850%0.49744%0.443SS..Hα-helixtrans-73.4-41.2173.8-74.9-11.3000111.4I392 R393 L399 M400I392-N396 VanDerWaalsContact O-CB 3.31Å; I392-N396 WeakPolarHBondContact O-CB 3.37Å; I392-N396 PolarHBondContact O-N 2.91Å; I392-N396 VanDerWaalsContact O-N 3.12Å; I392-N396 PolarHBondContact O-ND2 3.3Å; R393-N396 PolarHBondContact O-N 3.08Å; N396-L399 PolarHBondContact O-N 2.9Å; N396-M400 WeakPolarHBondContact O-CB 3.26Å; N396-M400 PolarHBondContact O-N 2.77Å
397D96.6Very high93.3Very high83 Ų8388.6 Ų88.644%0.44444%0.442SS..Hα-helixtrans-65.8-40.1176.1-62.4-27.5000110.3R393 E394 Q401R393-D397 WeakPolarHBondContact O-CB 3.31Å; R393-D397 PolarHBondContact O-N 2.8Å; E394-D397 PolarHBondContact O-N 2.94Å; D397-Q401 VanDerWaalsContact C-NE2 3.35Å; D397-Q401 WeakPolarHBondContact O-CG 3.31Å; D397-Q401 PolarHBondContact O-N 2.79Å; D397-Q401 VanDerWaalsContact O-N 3.08Å; D397-Q401 PolarHBondContact O-NE2 3Å
398E94Very high93.6Very high54 Ų5489 Ų8925%0.25245%0.447SS..Hα-helixtrans-63.9-48.4172-174.2-173.8-163.900111.5R347 E394 M400 Q401 L402R347-E398 IonicContact CZ-OE1 3.06Å; R347-E398 IonicContact CZ-OE2 3.58Å; R347-E398 IonicContact NH1-OE1 2.73Å; R347-E398 PolarHBondContact NH1-OE1 3.24Å; R347-E398 IonicContact NH1-OE2 3.85Å; R347-E398 PolarHBondContact NH1-OE2 3.02Å; R347-E398 IonicContact NH2-OE1 2.72Å; R347-E398 PolarHBondContact NH2-OE1 3.3Å; E394-E398 VanDerWaalsContact O-CB 3.27Å; E394-E398 WeakPolarHBondContact O-CB 3.45Å; E394-E398 PolarHBondContact O-N 3.11Å; E398-M400 VanDerWaalsContact C-N 3.29Å; E398-M400 PolarHBondContact O-N 3.28Å; E398-Q401 PolarHBondContact O-N 2.76Å; E398-L402 HydrophobicContact CG-CD1 3.94Å; E398-L402 HydrophobicContact CG-CG 4.37Å; E398-L402 WeakPolarHBondContact O-CG 3.49Å; E398-L402 PolarHBondContact O-N 2.65Å
399L96.1Very high93.8Very high96 Ų9688.1 Ų88.150%0.50344%0.443SS..Hα-helixtrans-58.7-41.4177.4176.761.4000111.6L395 N396 L402 L403L395-L399 WeakPolarHBondContact O-CB 3.43Å; L395-L399 PolarHBondContact O-N 3.28Å; N396-L399 PolarHBondContact O-N 2.9Å; L399-L402 PolarHBondContact O-N 3.33Å; L399-L403 HydrophobicContact CD1-CD1 4.09Å; L399-L403 HydrophobicContact CD1-CG 4.18Å; L399-L403 HydrophobicContact CG-CD1 4.02Å; L399-L403 WeakPolarHBondContact O-CB 3.27Å; L399-L403 VanDerWaalsContact O-CG 3.24Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.01Å
400M96.8Very high93.8Very high121 Ų12186.3 Ų86.360%0.59643%0.434SS*.Hα-helixtrans-62-46.2175.7-169.5-170.5-55.400111.4N396 E398 L403 V404N396-M400 WeakPolarHBondContact O-CB 3.26Å; N396-M400 PolarHBondContact O-N 2.77Å; E398-M400 VanDerWaalsContact C-N 3.29Å; E398-M400 PolarHBondContact O-N 3.28Å; M400-L403 PolarHBondContact O-N 3.21Å; M400-V404 WeakPolarHBondContact O-CG2 3.21Å; M400-V404 PolarHBondContact O-N 3.02Å
401Q96.6Very high93.9Very high134 Ų13491.4 Ų91.463%0.62645%0.454SS*.Hα-helixtrans-61.3-45.3176.3-74.716579.100112D397 E398 L403 V404 Q405D397-Q401 VanDerWaalsContact C-NE2 3.35Å; D397-Q401 WeakPolarHBondContact O-CG 3.31Å; D397-Q401 PolarHBondContact O-N 2.79Å; D397-Q401 VanDerWaalsContact O-N 3.08Å; D397-Q401 PolarHBondContact O-NE2 3Å; E398-Q401 PolarHBondContact O-N 2.76Å; Q401-L403 VanDerWaalsContact C-N 3.35Å; Q401-L403 PolarHBondContact O-N 2.83Å; Q401-V404 PolarHBondContact O-N 3.04Å; Q401-Q405 WeakPolarHBondContact O-CB 3.25Å; Q401-Q405 PolarHBondContact O-N 3.3Å
402L92.4Very high94.2Very high75 Ų7591.8 Ų91.839%0.39346%0.457SS..Hα-helixtrans-65.9-34.4178.1-70.2172.5000112.6E398 L399 K406E398-L402 HydrophobicContact CG-CD1 3.94Å; E398-L402 HydrophobicContact CG-CG 4.37Å; E398-L402 WeakPolarHBondContact O-CG 3.49Å; E398-L402 PolarHBondContact O-N 2.65Å; L399-L402 PolarHBondContact O-N 3.33Å; L402-K406 VanDerWaalsContact O-CB 3.27Å; L402-K406 WeakPolarHBondContact O-CB 3.37Å; L402-K406 PolarHBondContact O-N 2.74Å
403L94.5Very high94.2Very high82 Ų8290.5 Ų90.543%0.42945%0.449SS..Hα-helixtrans-68.2-46.6173.8-74169.4000111.8L399 M400 Q401 Q405 K406 D407L399-L403 HydrophobicContact CD1-CD1 4.09Å; L399-L403 HydrophobicContact CD1-CG 4.18Å; L399-L403 HydrophobicContact CG-CD1 4.02Å; L399-L403 WeakPolarHBondContact O-CB 3.27Å; L399-L403 VanDerWaalsContact O-CG 3.24Å; L399-L403 WeakPolarHBondContact O-CG 3.48Å; L399-L403 PolarHBondContact O-N 3.01Å; M400-L403 PolarHBondContact O-N 3.21Å; Q401-L403 VanDerWaalsContact C-N 3.35Å; Q401-L403 PolarHBondContact O-N 2.83Å; L403-Q405 VanDerWaalsContact C-N 3.31Å; L403-Q405 PolarHBondContact O-N 3.26Å; L403-K406 WeakPolarHBondContact O-CB 3.37Å; L403-K406 PolarHBondContact O-N 3.13Å; L403-D407 PolarHBondContact O-N 3.02Å
404V95.4Very high94.2Very high89 Ų8988.1 Ų88.154%0.53945%0.447SS..Hα-helixtrans-61.5-40.1175.1172.30000111.2M400 Q401 D407 T408M400-V404 WeakPolarHBondContact O-CG2 3.21Å; M400-V404 PolarHBondContact O-N 3.02Å; Q401-V404 PolarHBondContact O-N 3.04Å; V404-D407 PolarHBondContact O-N 2.74Å; V404-T408 WeakPolarHBondContact O-CB 3.48Å; V404-T408 PolarHBondContact O-N 3.21Å; V404-T408 PolarHBondContact O-OG1 2.99Å
405Q94.2Very high94.3Very high68 Ų6886.7 Ų86.732%0.31845%0.448SS..Hα-helixtrans-64.5-43.3174.5-172.6-177.40.500111.7Q401 L403 D407 T408 L409Q401-Q405 WeakPolarHBondContact O-CB 3.25Å; Q401-Q405 PolarHBondContact O-N 3.3Å; L403-Q405 VanDerWaalsContact C-N 3.31Å; L403-Q405 PolarHBondContact O-N 3.26Å; Q405-D407 VanDerWaalsContact C-N 3.34Å; Q405-D407 PolarHBondContact O-N 3.05Å; Q405-T408 WeakPolarHBondContact O-CB 3.38Å; Q405-T408 PolarHBondContact O-N 2.81Å; Q405-L409 HydrophobicContact CG-CD1 4.19Å; Q405-L409 WeakPolarHBondContact O-CG 3.41Å; Q405-L409 PolarHBondContact O-N 2.79Å
406K93.1Very high94.3Very high83 Ų8387.8 Ų87.836%0.36145%0.452SS..Hα-helixtrans-59.5-43.7175.4-174.7-157.866.362.70111.5L402 L403 L409 H410L402-K406 VanDerWaalsContact O-CB 3.27Å; L402-K406 WeakPolarHBondContact O-CB 3.37Å; L402-K406 PolarHBondContact O-N 2.74Å; L403-K406 WeakPolarHBondContact O-CB 3.37Å; L403-K406 PolarHBondContact O-N 3.13Å; K406-L409 PolarHBondContact O-N 3.42Å; K406-H410 PolarHBondContact NZ-CD2 2.88Å; K406-H410 PolarHBondContact NZ-NE2 2.96Å; K406-H410 VanDerWaalsContact NZ-NE2 3.16Å; K406-H410 PolarHBondContact O-CD2 3.47Å; K406-H410 PolarHBondContact O-N 3.3Å
407D95.6Very high94.1Very high87 Ų8787.9 Ų87.947%0.46545%0.452SS..Hα-helixtrans-70.4-33.6178.3-68-22.5000112.3L403 V404 Q405 H410 M411L403-D407 PolarHBondContact O-N 3.02Å; V404-D407 PolarHBondContact O-N 2.74Å; Q405-D407 VanDerWaalsContact C-N 3.34Å; Q405-D407 PolarHBondContact O-N 3.05Å; D407-H410 PolarHBondContact O-N 3.19Å; D407-H410 IonicContact OD1-CD2 2.68Å; D407-M411 PolarHBondContact O-N 3.44Å
408T95Very high94Very high80 Ų8087.8 Ų87.849%0.49146%0.455SS..Hα-helixtrans-62.4-44.8170.3-540000111.5V404 Q405 M411 E412V404-T408 WeakPolarHBondContact O-CB 3.48Å; V404-T408 PolarHBondContact O-N 3.21Å; V404-T408 PolarHBondContact O-OG1 2.99Å; Q405-T408 WeakPolarHBondContact O-CB 3.38Å; Q405-T408 PolarHBondContact O-N 2.81Å; T408-M411 WeakPolarHBondContact O-CB 3.37Å; T408-M411 PolarHBondContact O-N 3.3Å; T408-E412 PolarHBondContact O-N 2.56Å
409L91.3Very high94Very high72 Ų7289.4 Ų89.438%0.37747%0.465SS..Hα-helixtrans-68.3-32177.7-70.1168.4000112.8L44 Q405 K406 Q413L44-L409 HydrophobicContact CD1-CD2 4.03Å; Q405-L409 HydrophobicContact CG-CD1 4.19Å; Q405-L409 WeakPolarHBondContact O-CG 3.41Å; Q405-L409 PolarHBondContact O-N 2.79Å; K406-L409 PolarHBondContact O-N 3.42Å; L409-Q413 VanDerWaalsContact O-CB 3.32Å; L409-Q413 WeakPolarHBondContact O-CB 3.26Å; L409-Q413 PolarHBondContact O-N 3.43Å
410H92.6Very high93.6Very high64 Ų6489.2 Ų89.230%0.29646%0.463SS..Hα-helixtrans-66.8-40.7169.3-73.3-58.4000111.8K406 D407 E412 Q413 D414K406-H410 PolarHBondContact NZ-CD2 2.88Å; K406-H410 PolarHBondContact NZ-NE2 2.96Å; K406-H410 VanDerWaalsContact NZ-NE2 3.16Å; K406-H410 PolarHBondContact O-CD2 3.47Å; K406-H410 PolarHBondContact O-N 3.3Å; D407-H410 PolarHBondContact O-N 3.19Å; D407-H410 IonicContact OD1-CD2 2.68Å; H410-E412 VanDerWaalsContact C-N 3.33Å; H410-E412 PolarHBondContact O-N 3.35Å; H410-Q413 WeakPolarHBondContact O-CB 3.25Å; H410-Q413 PolarHBondContact O-N 3.42Å; H410-D414 WeakPolarHBondContact O-CB 3.4Å; H410-D414 PolarHBondContact O-N 2.89Å
411M94Very high93.3Very high141 Ų14186 Ų8670%0.69546%0.456SS*.Hα-helixtrans-64.1-38.5176.7-166.1-175.7-56.400112D407 T408 S415D407-M411 PolarHBondContact O-N 3.44Å; T408-M411 WeakPolarHBondContact O-CB 3.37Å; T408-M411 PolarHBondContact O-N 3.3Å; M411-S415 WeakPolarHBondContact O-CB 3.48Å; M411-S415 PolarHBondContact O-N 3.5Å
412E93.9Very high93.2Very high93 Ų9383.8 Ų83.844%0.43545%0.449SS..Hα-helixtrans-63.9-44.3171.7-169.5-177.5168.800111.4T408 H410 S415 M416T408-E412 PolarHBondContact O-N 2.56Å; H410-E412 VanDerWaalsContact C-N 3.33Å; H410-E412 PolarHBondContact O-N 3.35Å; E412-S415 PolarHBondContact O-N 3.23Å; E412-M416 HydrophobicContact CG-CE 4.27Å; E412-M416 WeakPolarHBondContact O-CG 3.42Å; E412-M416 PolarHBondContact O-N 3.1Å
413Q92.4Very high93.1Very high66 Ų6685.8 Ų85.831%0.30846%0.459SS..Hα-helixtrans-61-47174.8170.2167.659.500112.6L409 H410 S415 M416 L417L409-Q413 VanDerWaalsContact O-CB 3.32Å; L409-Q413 WeakPolarHBondContact O-CB 3.26Å; L409-Q413 PolarHBondContact O-N 3.43Å; H410-Q413 WeakPolarHBondContact O-CB 3.25Å; H410-Q413 PolarHBondContact O-N 3.42Å; Q413-S415 VanDerWaalsContact C-N 3.33Å; Q413-S415 PolarHBondContact O-N 2.89Å; Q413-M416 PolarHBondContact O-N 2.91Å; Q413-L417 HydrophobicContact CG-CD1 4Å; Q413-L417 HydrophobicContact CG-CG 4.48Å; Q413-L417 VanDerWaalsContact O-CG 3.31Å; Q413-L417 WeakPolarHBondContact O-CG 3.18Å; Q413-L417 PolarHBondContact O-N 3.42Å
414D93.8Very high92.7Very high97 Ų9787.4 Ų87.452%0.51947%0.467SS..Hα-helixtrans-65.8-37.2179.9-73.1-19.9000111H410 L417 V418H410-D414 WeakPolarHBondContact O-CB 3.4Å; H410-D414 PolarHBondContact O-N 2.89Å; D414-L417 PolarHBondContact O-N 2.87Å; D414-V418 WeakPolarHBondContact O-CG2 3.42Å; D414-V418 PolarHBondContact O-N 3.11Å
415S93.9Very high92.3Very high68 Ų6886.5 Ų86.548%0.47646%0.458SS..Hα-helixtrans-59.6-50.5170.9-167.60000111.6M411 E412 Q413 L417 V418 D419M411-S415 WeakPolarHBondContact O-CB 3.48Å; M411-S415 PolarHBondContact O-N 3.5Å; E412-S415 PolarHBondContact O-N 3.23Å; Q413-S415 VanDerWaalsContact C-N 3.33Å; Q413-S415 PolarHBondContact O-N 2.89Å; S415-L417 VanDerWaalsContact C-N 3.26Å; S415-L417 PolarHBondContact O-N 3.14Å; S415-V418 WeakPolarHBondContact O-CB 3.42Å; S415-V418 PolarHBondContact O-N 3.13Å; S415-V418 VanDerWaalsContact O-N 3.11Å; S415-D419 PolarHBondContact O-N 3.49Å
416M93.2Very high91.8Very high97 Ų9789 Ų8948%0.47847%0.469SS..Hα-helixtrans-61.7-33.3177.4-71.8-173.5-7000112.7E412 Q413 D419 I420E412-M416 HydrophobicContact CG-CE 4.27Å; E412-M416 WeakPolarHBondContact O-CG 3.42Å; E412-M416 PolarHBondContact O-N 3.1Å; Q413-M416 PolarHBondContact O-N 2.91Å; M416-D419 PolarHBondContact O-N 3.37Å; M416-I420 WeakPolarHBondContact O-CB 3.43Å; M416-I420 WeakPolarHBondContact O-CD1 3.42Å; M416-I420 WeakPolarHBondContact O-CG1 3.48Å; M416-I420 PolarHBondContact O-N 2.87Å
417L90.3Very high90.9Very high95 Ų9592.6 Ų92.650%0.49748%0.48SS..Hα-helixtrans-70.3-34175.6-72.3172.3000112.3Q413 D414 S415 A421Q413-L417 HydrophobicContact CG-CD1 4Å; Q413-L417 HydrophobicContact CG-CG 4.48Å; Q413-L417 VanDerWaalsContact O-CG 3.31Å; Q413-L417 WeakPolarHBondContact O-CG 3.18Å; Q413-L417 PolarHBondContact O-N 3.42Å; D414-L417 PolarHBondContact O-N 2.87Å; S415-L417 VanDerWaalsContact C-N 3.26Å; S415-L417 PolarHBondContact O-N 3.14Å; L417-A421 WeakPolarHBondContact O-CB 3.35Å; L417-A421 PolarHBondContact O-N 2.9Å
418V94.7Very high89.6Confident82 Ų8293.8 Ų93.850%0.49748%0.481SS..Hα-helixtrans-66.7-48.1170.3171.80000110.6D414 S415 I420 A421 D422D414-V418 WeakPolarHBondContact O-CG2 3.42Å; D414-V418 PolarHBondContact O-N 3.11Å; S415-V418 WeakPolarHBondContact O-CB 3.42Å; S415-V418 PolarHBondContact O-N 3.13Å; S415-V418 VanDerWaalsContact O-N 3.11Å; V418-I420 VanDerWaalsContact C-N 3.27Å; V418-I420 PolarHBondContact O-N 3.24Å; V418-A421 WeakPolarHBondContact O-CB 3.46Å; V418-A421 PolarHBondContact O-N 3.47Å; V418-D422 PolarHBondContact O-N 2.91Å
419D94.4Very high88.3Confident88 Ų8895 Ų9547%0.47149%0.485SS..Hα-helixtrans-55.6-42.6176.7-68.1-44.5000111.7S415 M416 L423S415-D419 PolarHBondContact O-N 3.49Å; M416-D419 PolarHBondContact O-N 3.37Å; D419-L423 WeakPolarHBondContact O-CB 3.37Å; D419-L423 WeakPolarHBondContact O-CD1 3.46Å; D419-L423 WeakPolarHBondContact O-CG 3.25Å; D419-L423 PolarHBondContact O-N 3.25Å
420I88.5Confident87Confident91 Ų9199.2 Ų99.247%0.46750%0.503SS..Hα-helixtrans-65-42.7175.3-71164.2000111.5M416 V418 L424M416-I420 WeakPolarHBondContact O-CB 3.43Å; M416-I420 WeakPolarHBondContact O-CD1 3.42Å; M416-I420 WeakPolarHBondContact O-CG1 3.48Å; M416-I420 PolarHBondContact O-N 2.87Å; V418-I420 VanDerWaalsContact C-N 3.27Å; V418-I420 PolarHBondContact O-N 3.24Å; I420-L424 HydrophobicContact CG2-CD1 3.94Å; I420-L424 WeakPolarHBondContact O-CB 3.45Å; I420-L424 VanDerWaalsContact O-CG 3.25Å; I420-L424 WeakPolarHBondContact O-CG 3.32Å; I420-L424 PolarHBondContact O-N 3.07Å
421A90.8Very high84.9Confident53 Ų5397.4 Ų97.444%0.43850%0.497SS..Hα-helixtrans-64.3-43.7179.400000111.9L417 V418 L424 Q425L417-A421 WeakPolarHBondContact O-CB 3.35Å; L417-A421 PolarHBondContact O-N 2.9Å; V418-A421 WeakPolarHBondContact O-CB 3.46Å; V418-A421 PolarHBondContact O-N 3.47Å; A421-L424 PolarHBondContact O-N 3.18Å; A421-Q425 WeakPolarHBondContact O-CB 3.36Å; A421-Q425 PolarHBondContact O-N 2.83Å
422D92.8Very high82.9Confident89 Ų8995.4 Ų95.448%0.47649%0.494SS..Hα-helixtrans-66.5-43.2178-76.1-10000111.2V418 L424 Q425 H426V418-D422 PolarHBondContact O-N 2.91Å; D422-L424 VanDerWaalsContact C-N 3.29Å; D422-L424 PolarHBondContact O-N 2.92Å; D422-Q425 PolarHBondContact O-N 3.29Å; D422-H426 WeakPolarHBondContact O-CB 3.46Å; D422-H426 PolarHBondContact O-CD2 2.84Å; D422-H426 PolarHBondContact O-N 3.43Å
423L90.7Very high80.9Confident117 Ų11794.9 Ų94.961%0.61350%0.501SS*.Hα-helixtrans-59.7-37.1173.7-75170.1000112.9D419 R427D419-L423 WeakPolarHBondContact O-CB 3.37Å; D419-L423 WeakPolarHBondContact O-CD1 3.46Å; D419-L423 WeakPolarHBondContact O-CG 3.25Å; D419-L423 PolarHBondContact O-N 3.25Å; L423-R427 PolarHBondContact O-N 2.92Å
424L86.2Confident79Confident115 Ų11597 Ų9760%0.60251%0.514SS*.Hα-helixtrans-72.4-38175.8-71.8170.5000112.3I420 A421 D422 K428I420-L424 HydrophobicContact CG2-CD1 3.94Å; I420-L424 WeakPolarHBondContact O-CB 3.45Å; I420-L424 VanDerWaalsContact O-CG 3.25Å; I420-L424 WeakPolarHBondContact O-CG 3.32Å; I420-L424 PolarHBondContact O-N 3.07Å; A421-L424 PolarHBondContact O-N 3.18Å; D422-L424 VanDerWaalsContact C-N 3.29Å; D422-L424 PolarHBondContact O-N 2.92Å; L424-K428 PolarHBondContact O-N 3Å
425Q88Confident76.9Confident71 Ų7195.8 Ų95.833%0.33251%0.507SS..Hα-helixtrans-70.6-41.9177.2179.953.33900111.7A421 D422 R427 K428 D429A421-Q425 WeakPolarHBondContact O-CB 3.36Å; A421-Q425 PolarHBondContact O-N 2.83Å; D422-Q425 PolarHBondContact O-N 3.29Å; Q425-R427 PolarHBondContact O-N 2.74Å; Q425-K428 WeakPolarHBondContact O-CB 3.42Å; Q425-K428 PolarHBondContact O-N 3.03Å; Q425-K428 VanDerWaalsContact O-N 3.1Å; Q425-D429 PolarHBondContact NE2-OD1 3.24Å; Q425-D429 PolarHBondContact NE2-OD2 3.4Å; Q425-D429 PolarHBondContact O-N 3.2Å; Q425-D429 VanDerWaalsContact O-N 3.08Å
426H82.4Confident74.8Confident121 Ų12195.7 Ų95.756%0.5651%0.506SS*.Hα-helixtrans-56.3-48.5173.4-85.7-123.1000111.8D422 K428 D429 E430D422-H426 WeakPolarHBondContact O-CB 3.46Å; D422-H426 PolarHBondContact O-CD2 2.84Å; D422-H426 PolarHBondContact O-N 3.43Å; H426-K428 VanDerWaalsContact C-N 3.25Å; H426-K428 PolarHBondContact O-N 3.34Å; H426-D429 PolarHBondContact O-N 2.87Å; H426-E430 WeakPolarHBondContact O-CB 3.41Å; H426-E430 WeakPolarHBondContact O-CG 3.35Å; H426-E430 PolarHBondContact O-N 3.31Å
427R74Confident73Confident158 Ų15895.6 Ų95.660%0.59651%0.508SS*.Hα-helixtrans-60-34.7176.1-75.4-166.9-170.2-171.48.4113.2L423 Q425 S431L423-R427 PolarHBondContact O-N 2.92Å; Q425-R427 PolarHBondContact O-N 2.74Å; R427-S431 WeakPolarHBondContact O-CB 3.39Å; R427-S431 PolarHBondContact O-N 3.39Å; R427-S431 PolarHBondContact O-OG 3.24Å
428K68.6Low71.2Confident111 Ų11196.9 Ų96.948%0.48351%0.51SS..Hα-helixtrans-69.6-36.2-180170.6179.2155.3-147.20112L424 Q425 H426 L435L424-K428 PolarHBondContact O-N 3Å; Q425-K428 WeakPolarHBondContact O-CB 3.42Å; Q425-K428 PolarHBondContact O-N 3.03Å; Q425-K428 VanDerWaalsContact O-N 3.1Å; H426-K428 VanDerWaalsContact C-N 3.25Å; H426-K428 PolarHBondContact O-N 3.34Å; K428-L435 HydrophobicContact CB-CD1 3.87Å; K428-L435 HydrophobicContact CG-CD1 3.81Å
429D68.8Low69.4Low107 Ų10797 Ų9757%0.57251%0.51SS*.Hα-helixtrans-79.9-33.2177.4-62.6-23.1000112.1Q425 H426Q425-D429 PolarHBondContact NE2-OD1 3.24Å; Q425-D429 PolarHBondContact NE2-OD2 3.4Å; Q425-D429 PolarHBondContact O-N 3.2Å; Q425-D429 VanDerWaalsContact O-N 3.08Å; H426-D429 PolarHBondContact O-N 2.87Å
430E63.2Low67.6Low160 Ų16096.2 Ų96.275%0.74851%0.509SS*.Hα-helixtrans-76-24.3175.1-71.7-175.3166.100114.2H426 P432H426-E430 WeakPolarHBondContact O-CB 3.41Å; H426-E430 WeakPolarHBondContact O-CG 3.35Å; H426-E430 PolarHBondContact O-N 3.31Å; E430-P432 VanDerWaalsContact C-CD 3.46Å
431S49.5Very low65.8Low26 Ų2698.1 Ų98.118%0.18252%0.516CS..  trans-129.749.2-171.674.20000117.1R427 S433 L434 L435R427-S431 WeakPolarHBondContact O-CB 3.39Å; R427-S431 PolarHBondContact O-N 3.39Å; R427-S431 PolarHBondContact O-OG 3.24Å; S431-S433 PolarHBondContact O-N 2.63Å; S431-L434 PolarHBondContact O-N 3.02Å; S431-L435 PolarHBondContact O-N 3.1Å
432P50.4Low63.6Low98 Ų98100.2 Ų100.264%0.63652%0.519SS*.Hα-helixtrans-58.6-19.3175.725.8-35.3000113.9E430E430-P432 VanDerWaalsContact C-CD 3.46Å
433S52.4Low61.7Low82 Ų8299.1 Ų99.157%0.57352%0.516SS*.Hα-helixtrans-80.8-30.4174.153.10000114.5S431 S436S431-S433 PolarHBondContact O-N 2.63Å; S433-S436 WeakPolarHBondContact O-CB 3.5Å
434L52.2Low59.8Low111 Ų11198.1 Ų98.158%0.58152%0.515SS*.Hα-helixtrans-89.1-35.5-177.6-63.7-179.2000112.1S431 S436 N437 F438S431-L434 PolarHBondContact O-N 3.02Å; L434-S436 PolarHBondContact O-N 3.44Å; L434-N437 WeakPolarHBondContact O-CB 3.44Å; L434-N437 PolarHBondContact O-N 3.08Å; L434-F438 PolarHBondContact O-N 2.92Å
435L50.5Low57.9Low72 Ų7296.4 Ų96.438%0.37751%0.509SS..Hα-helixtrans-62.1-27.2170.6-73.2178.1000112.3K428 S431 N437 F438 V439K428-L435 HydrophobicContact CB-CD1 3.87Å; K428-L435 HydrophobicContact CG-CD1 3.81Å; S431-L435 PolarHBondContact O-N 3.1Å; L435-N437 VanDerWaalsContact C-N 3.28Å; L435-N437 PolarHBondContact O-N 2.8Å; L435-F438 PolarHBondContact O-N 3.23Å; L435-V439 VanDerWaalsContact O-CB 3.28Å; L435-V439 WeakPolarHBondContact O-CB 3.41Å; L435-V439 VanDerWaalsContact O-CG2 3.24Å; L435-V439 WeakPolarHBondContact O-CG2 3.4Å; L435-V439 PolarHBondContact O-N 3.02Å
436S49.5Very low56.2Low65 Ų6596.8 Ų96.846%0.45552%0.516SS..Hα-helixtrans-53.4-45.9169.1-1720000111.5S433 L434 T440S433-S436 WeakPolarHBondContact O-CB 3.5Å; L434-S436 PolarHBondContact O-N 3.44Å; S436-T440 WeakPolarHBondContact O-CG2 3.36Å; S436-T440 PolarHBondContact O-N 2.87Å; S436-T440 PolarHBondContact O-OG1 3.07Å; S436-T440 VanDerWaalsContact O-OG1 3.07Å
437N54.5Low54.6Low96 Ų9697 Ų9751%0.51352%0.517SS..Hα-helixtrans-68.1-47.6-178.5-63-18.2000111.4L434 L435 V439 T440 E441L434-N437 WeakPolarHBondContact O-CB 3.44Å; L434-N437 PolarHBondContact O-N 3.08Å; L435-N437 VanDerWaalsContact C-N 3.28Å; L435-N437 PolarHBondContact O-N 2.8Å; N437-V439 VanDerWaalsContact C-N 3.34Å; N437-V439 PolarHBondContact O-N 3.23Å; N437-T440 WeakPolarHBondContact CA-OG1 3.47Å; N437-T440 PolarHBondContact O-N 2.95Å; N437-T440 VanDerWaalsContact O-N 3.13Å; N437-T440 PolarHBondContact O-OG1 3.41Å; N437-E441 PolarHBondContact O-N 3.03Å
438F52.8Low53.6Low122 Ų12297.3 Ų97.354%0.53552%0.523SS..Hα-helixtrans-63.4-39.7179.2-151.4-102.1000111.9L434 L435 E441 L442L434-F438 PolarHBondContact O-N 2.92Å; L435-F438 PolarHBondContact O-N 3.23Å; F438-E441 PolarHBondContact O-N 3.25Å; F438-L442 HydrophobicContact CD1-CD1 3.74Å; F438-L442 HydrophobicContact CE1-CD1 3.69Å; F438-L442 HydrophobicContact CG-CD1 4.44Å; F438-L442 HydrophobicContact CZ-CD1 4.35Å; F438-L442 VanDerWaalsContact O-CD1 3.26Å; F438-L442 WeakPolarHBondContact O-CD1 3.25Å; F438-L442 PolarHBondContact O-N 3.32Å
439V58.2Low52.6Low84 Ų8499.2 Ų99.251%0.50953%0.528SS..Hα-helixtrans-69-35.4173.6173.40000111.4L435 N437 E441 T443L435-V439 VanDerWaalsContact O-CB 3.28Å; L435-V439 WeakPolarHBondContact O-CB 3.41Å; L435-V439 VanDerWaalsContact O-CG2 3.24Å; L435-V439 WeakPolarHBondContact O-CG2 3.4Å; L435-V439 PolarHBondContact O-N 3.02Å; N437-V439 VanDerWaalsContact C-N 3.34Å; N437-V439 PolarHBondContact O-N 3.23Å; V439-E441 VanDerWaalsContact C-N 3.33Å; V439-E441 PolarHBondContact O-N 2.94Å; V439-T443 HydrophobicContact CG1-CG2 4.18Å; V439-T443 WeakPolarHBondContact O-CB 3.34Å; V439-T443 VanDerWaalsContact O-CG2 3.32Å; V439-T443 WeakPolarHBondContact O-CG2 3.28Å; V439-T443 PolarHBondContact O-N 3.31Å; V439-T443 PolarHBondContact O-OG1 3.5Å
440T55.1Low51.8Low71 Ų7196.5 Ų96.544%0.43651%0.514SS..Hα-helixtrans-67.1-31.7171.951.30000113.2S436 N437 T443 T444S436-T440 WeakPolarHBondContact O-CG2 3.36Å; S436-T440 PolarHBondContact O-N 2.87Å; S436-T440 PolarHBondContact O-OG1 3.07Å; S436-T440 VanDerWaalsContact O-OG1 3.07Å; N437-T440 WeakPolarHBondContact CA-OG1 3.47Å; N437-T440 PolarHBondContact O-N 2.95Å; N437-T440 VanDerWaalsContact O-N 3.13Å; N437-T440 PolarHBondContact O-OG1 3.41Å; T440-T443 WeakPolarHBondContact CA-OG1 3.46Å; T440-T443 PolarHBondContact O-OG1 3.29Å; T440-T444 WeakPolarHBondContact O-CB 3.47Å; T440-T444 VanDerWaalsContact O-CG2 3.26Å; T440-T444 WeakPolarHBondContact O-CG2 3.48Å; T440-T444 PolarHBondContact O-N 2.77Å; T440-T444 PolarHBondContact O-OG1 3.42Å
441E52.4Low51.6Low131 Ų13196.5 Ų96.561%0.61251%0.511SS*.Hα-helixtrans-74.8-39177.9-160.4159.3-162.400111.9N437 F438 V439 T444 T445N437-E441 PolarHBondContact O-N 3.03Å; F438-E441 PolarHBondContact O-N 3.25Å; V439-E441 VanDerWaalsContact C-N 3.33Å; V439-E441 PolarHBondContact O-N 2.94Å; E441-T444 PolarHBondContact O-OG1 3.13Å; E441-T445 PolarHBondContact O-N 3.43Å; E441-T445 PolarHBondContact O-OG1 3.38Å
442L44.6Very low51.9Low97 Ų9799.3 Ų99.351%0.50852%0.524SS..Hα-helixtrans-70.7-33.4169-85.685.4000113.3F438 T445 T446F438-L442 HydrophobicContact CD1-CD1 3.74Å; F438-L442 HydrophobicContact CE1-CD1 3.69Å; F438-L442 HydrophobicContact CG-CD1 4.44Å; F438-L442 HydrophobicContact CZ-CD1 4.35Å; F438-L442 VanDerWaalsContact O-CD1 3.26Å; F438-L442 WeakPolarHBondContact O-CD1 3.25Å; F438-L442 PolarHBondContact O-N 3.32Å; L442-T445 WeakPolarHBondContact CA-OG1 3.3Å; L442-T445 PolarHBondContact O-OG1 2.92Å; L442-T445 VanDerWaalsContact O-OG1 3.05Å; L442-T446 WeakPolarHBondContact O-CB 3.33Å; L442-T446 WeakPolarHBondContact O-CG2 3.32Å; L442-T446 PolarHBondContact O-N 3.3Å; L442-T446 PolarHBondContact O-OG1 2.87Å
443T51.8Low52.1Low67 Ų67100.3 Ų100.341%0.41152%0.523SS..Hα-helixtrans-78.2-29.6178.152.50000113.6V439 T440 T446 H447V439-T443 HydrophobicContact CG1-CG2 4.18Å; V439-T443 WeakPolarHBondContact O-CB 3.34Å; V439-T443 VanDerWaalsContact O-CG2 3.32Å; V439-T443 WeakPolarHBondContact O-CG2 3.28Å; V439-T443 PolarHBondContact O-N 3.31Å; V439-T443 PolarHBondContact O-OG1 3.5Å; T440-T443 WeakPolarHBondContact CA-OG1 3.46Å; T440-T443 PolarHBondContact O-OG1 3.29Å; T443-T446 VanDerWaalsContact CA-OG1 3.31Å; T443-T446 WeakPolarHBondContact CA-OG1 3.32Å; T443-T446 PolarHBondContact O-OG1 3.03Å; T443-H447 WeakPolarHBondContact O-CB 3.24Å; T443-H447 PolarHBondContact O-N 2.74Å
444T51.3Low52.5Low96 Ų96102.6 Ų102.659%0.58952%0.523SS*.Hα-helixtrans-73.2-37.1173.548.20000112.5T440 E441 H447T440-T444 WeakPolarHBondContact O-CB 3.47Å; T440-T444 VanDerWaalsContact O-CG2 3.26Å; T440-T444 WeakPolarHBondContact O-CG2 3.48Å; T440-T444 PolarHBondContact O-N 2.77Å; T440-T444 PolarHBondContact O-OG1 3.42Å; E441-T444 PolarHBondContact O-OG1 3.13Å; T444-H447 PolarHBondContact O-N 2.9Å
445T46.8Very low52.8Low79 Ų79103.2 Ų103.249%0.48553%0.525SS..Hα-helixtrans-66.9-47.5170.945.50000111.6E441 L442 H447 K448 Y449E441-T445 PolarHBondContact O-N 3.43Å; E441-T445 PolarHBondContact O-OG1 3.38Å; L442-T445 WeakPolarHBondContact CA-OG1 3.3Å; L442-T445 PolarHBondContact O-OG1 2.92Å; L442-T445 VanDerWaalsContact O-OG1 3.05Å; T445-H447 VanDerWaalsContact C-N 3.27Å; T445-H447 PolarHBondContact O-N 2.7Å; T445-K448 VanDerWaalsContact O-CB 3.25Å; T445-K448 WeakPolarHBondContact O-CB 3.26Å; T445-K448 PolarHBondContact O-N 2.83Å; T445-K448 VanDerWaalsContact O-N 3.13Å; T445-Y449 WeakPolarHBondContact O-CD2 3.35Å
446T51.1Low52.5Low78 Ų78107.7 Ų107.748%0.47954%0.542SS..Hα-helixtrans-65.4-23.9175.352.10000113.8L442 T443 K448 Y449 D450L442-T446 WeakPolarHBondContact O-CB 3.33Å; L442-T446 WeakPolarHBondContact O-CG2 3.32Å; L442-T446 PolarHBondContact O-N 3.3Å; L442-T446 PolarHBondContact O-OG1 2.87Å; T443-T446 VanDerWaalsContact CA-OG1 3.31Å; T443-T446 WeakPolarHBondContact CA-OG1 3.32Å; T443-T446 PolarHBondContact O-OG1 3.03Å; T446-K448 PolarHBondContact O-N 2.67Å; T446-Y449 CarbonylContact O-C 3.54Å; T446-Y449 WeakPolarHBondContact O-CA 3.39Å; T446-Y449 PolarHBondContact O-N 2.92Å; T446-D450 PolarHBondContact O-N 2.94Å
447H49.5Very low52.4Low125 Ų125113.6 Ų113.658%0.57955%0.554SS**Hα-helixtrans-61.7-26.8172.9-122.3-36.5000113.5T443 T444 T445 D450 K451T443-H447 WeakPolarHBondContact O-CB 3.24Å; T443-H447 PolarHBondContact O-N 2.74Å; T444-H447 PolarHBondContact O-N 2.9Å; T445-H447 VanDerWaalsContact C-N 3.27Å; T445-H447 PolarHBondContact O-N 2.7Å; H447-D450 IonicContact CE1-OD2 3.78Å; H447-D450 IonicContact ND1-OD2 2.61Å; H447-K451 PolarHBondContact O-N 3.42Å
448K53Low51.8Low165 Ų165114.3 Ų114.372%0.71756%0.564SS**Hα-helixtrans-67.5-37.9172.9-140.2177.2-172.8-178.20111.1T445 T446T445-K448 VanDerWaalsContact O-CB 3.25Å; T445-K448 WeakPolarHBondContact O-CB 3.26Å; T445-K448 PolarHBondContact O-N 2.83Å; T445-K448 VanDerWaalsContact O-N 3.13Å; T446-K448 PolarHBondContact O-N 2.67Å
449Y46.5Very low51.3Low152 Ų152116.7 Ų116.760%0.59658%0.579SS**Hα-helixtrans-81.8-34.8177.8-64.4-80.7000113.3T445 T446 K451 L452 L453T445-Y449 WeakPolarHBondContact O-CD2 3.35Å; T446-Y449 CarbonylContact O-C 3.54Å; T446-Y449 WeakPolarHBondContact O-CA 3.39Å; T446-Y449 PolarHBondContact O-N 2.92Å; Y449-K451 PolarHBondContact O-N 2.98Å; Y449-L452 CarbonylContact O-C 3.53Å; Y449-L452 WeakPolarHBondContact O-CA 3.46Å; Y449-L452 WeakPolarHBondContact O-CB 3.34Å; Y449-L452 PolarHBondContact O-N 2.88Å; Y449-L453 PolarHBondContact O-N 3.2Å
450D52.2Low50.8Low50 Ų50117.7 Ų117.727%0.26759%0.587SS.*Hα-helixtrans-58.9-35173.8165.962.7000112T446 H447 L452 L453 K454T446-D450 PolarHBondContact O-N 2.94Å; H447-D450 IonicContact CE1-OD2 3.78Å; H447-D450 IonicContact ND1-OD2 2.61Å; D450-L452 VanDerWaalsContact C-N 3.3Å; D450-L452 PolarHBondContact O-N 2.94Å; D450-L453 PolarHBondContact O-N 2.99Å; D450-K454 WeakPolarHBondContact O-CB 3.5Å; D450-K454 WeakPolarHBondContact O-CD 3.4Å; D450-K454 WeakPolarHBondContact O-CG 3.46Å; D450-K454 PolarHBondContact O-N 2.72Å; D450-K454 WeakPolarHBondContact OD1-CE 3.31Å; D450-K454 IonicContact OD1-NZ 2.92Å; D450-K454 PolarHBondContact OD1-NZ 3.03Å; D450-K454 IonicContact OD2-NZ 2.67Å; D450-K454 PolarHBondContact OD2-NZ 2.64Å
451K60.6Low50.1Low159 Ų159122.6 Ų122.669%0.69161%0.61SS**Hα-helixtrans-67.3-29.2173.4-158.7173.1-174.7179.10112.9H447 Y449 I455H447-K451 PolarHBondContact O-N 3.42Å; Y449-K451 PolarHBondContact O-N 2.98Å; K451-I455 WeakPolarHBondContact O-CG1 3.06Å
452L54.9Low49.3Very low85 Ų85125.8 Ų125.845%0.44562%0.616SS.*Hα-helixtrans-80.5-41.7172.6-66.5169000111.5Y449 D450 K454 I455 F456Y449-L452 CarbonylContact O-C 3.53Å; Y449-L452 WeakPolarHBondContact O-CA 3.46Å; Y449-L452 WeakPolarHBondContact O-CB 3.34Å; Y449-L452 PolarHBondContact O-N 2.88Å; D450-L452 VanDerWaalsContact C-N 3.3Å; D450-L452 PolarHBondContact O-N 2.94Å; L452-K454 PolarHBondContact O-N 3.22Å; L452-I455 WeakPolarHBondContact O-CA 3.46Å; L452-I455 WeakPolarHBondContact O-CB 3.5Å; L452-I455 PolarHBondContact O-N 3.27Å; L452-F456 WeakPolarHBondContact O-CD2 3.29Å; L452-F456 PolarHBondContact O-N 3Å
453L55.5Low48.8Very low120 Ų120125.9 Ų125.963%0.62863%0.625SS**Hα-helixtrans-58.7-28.3172.6-101.867.1000112.4Y449 D450 R457Y449-L453 PolarHBondContact O-N 3.2Å; D450-L453 PolarHBondContact O-N 2.99Å; L453-R457 VanDerWaalsContact O-CB 3.29Å; L453-R457 WeakPolarHBondContact O-CB 3.45Å; L453-R457 PolarHBondContact O-N 2.87Å
454K59.3Low48.1Very low129 Ų129131 Ų13156%0.56165%0.645SS**Hα-helixtrans-76.7-18.2172.7-76.7163.3179.7160.10114.2D450 L452D450-K454 WeakPolarHBondContact O-CB 3.5Å; D450-K454 WeakPolarHBondContact O-CD 3.4Å; D450-K454 WeakPolarHBondContact O-CG 3.46Å; D450-K454 PolarHBondContact O-N 2.72Å; D450-K454 WeakPolarHBondContact OD1-CE 3.31Å; D450-K454 IonicContact OD1-NZ 2.92Å; D450-K454 PolarHBondContact OD1-NZ 3.03Å; D450-K454 IonicContact OD2-NZ 2.67Å; D450-K454 PolarHBondContact OD2-NZ 2.64Å; L452-K454 PolarHBondContact O-N 3.22Å
455I59.4Low47.2Very low125 Ų125138.7 Ų138.764%0.64166%0.663SS**Hα-helixtrans-87.7-39.1171.2-65.5165.8000110.2K451 L452K451-I455 WeakPolarHBondContact O-CG1 3.06Å; L452-I455 WeakPolarHBondContact O-CA 3.46Å; L452-I455 WeakPolarHBondContact O-CB 3.5Å; L452-I455 PolarHBondContact O-N 3.27Å
456F44.2Very low46.8Very low165 Ų165141.7 Ų141.772%0.72467%0.671SS**Hα-helixtrans-87.7-3.3-179.5-79-79.4000115.2L452 P458L452-F456 WeakPolarHBondContact O-CD2 3.29Å; L452-F456 PolarHBondContact O-N 3Å; F456-P458 WeakPolarHBondContact O-CD 3.37Å
457R47Very low46.2Very low190 Ų190146.9 Ų146.972%0.71769%0.687SS**  trans-64.6115.1175.1-178.6178.5-72.2-164.3-4.1109.3L453L453-R457 VanDerWaalsContact O-CB 3.29Å; L453-R457 WeakPolarHBondContact O-CB 3.45Å; L453-R457 PolarHBondContact O-N 2.87Å
458P42.7Very low45.9Very low110 Ų110150 Ų15071%0.71470%0.699SS**  trans-61.3147177.1-20.833.9000110.3F456F456-P458 WeakPolarHBondContact O-CD 3.37Å
459M42.4Very low45.3Very low172 Ų172150.2 Ų150.285%0.84771%0.708SS**  trans-56.1139.4171.2-88.3-161.6173.200110L461M459-L461 PolarHBondContact O-N 2.87Å
460P47.4Very low44.8Very low105 Ų105153.4 Ų153.468%0.68272%0.719SS**  trans-64.7111.817527.1-33.1000109.1R462P460-R462 HydrophobicContact CB-CB 4.49Å; P460-R462 PolarHBondContact O-N 2.78Å
461L40Very low44.4Very low175 Ų175156.7 Ų156.792%0.91675%0.745SS**  trans-7254.5171.7-73.7169.9000111.2M459M459-L461 PolarHBondContact O-N 2.87Å
462R35.5Very low43.7Very low197 Ų197156.1 Ų156.174%0.74375%0.749SS**  trans-108.144.1-179.2-156.3-174.5-146-74.20.8110.6P460P460-R462 HydrophobicContact CB-CB 4.49Å; P460-R462 PolarHBondContact O-N 2.78Å
463S33.7Very low42.9Very low100 Ų100157.6 Ų157.670%0.69976%0.764SS**SBendtrans-16139-167.9490000115.2
464Q37.1Very low42.3Very low175 Ų175161.5 Ų161.582%0.81877%0.772SS**SBendtrans-146.7-26.5161.5-126.7178.343.300117.9
465W33.6Very low41.5Very low256 Ų256164.2 Ų164.297%0.9778%0.784SS**SBendtrans-85.6-3.3-178.3-67.4100000115.3K467W465-K467 PolarHBondContact O-N 3.39Å
466E37.8Very low40.5Very low142 Ų142163.2 Ų163.266%0.66479%0.788SS**SBendtrans-96.929.3-172.8-152.1164.6-172.500113.1
467K38.5Very low40.5Very low188 Ų188162.5 Ų162.582%0.81779%0.79SS**SBendtrans-14761.7-177-74.2-171.7175.2177.80113.8W465W465-K467 PolarHBondContact O-N 3.39Å
468K41.8Very low40.4Very low189 Ų189161.8 Ų161.882%0.82279%0.792SS**SBendtrans-144.2-29.7158.6-146168.5-179.6-177.80117.8R470K468-R470 PolarHBondContact O-N 3.33Å
469D41.3Very low40.9Very low170 Ų170167.5 Ų167.591%0.90982%0.817SS**  trans-98.281.7178.2-61.8-70.9000111.7
470R36Very low40.8Very low220 Ų220167.3 Ų167.383%0.8382%0.815SS**  trans-137.861.6173.3-162.7-169.7-57-132.3-2.5110.3K468K468-R470 PolarHBondContact O-N 3.33Å
471C42.8Very low40.4Very low118 Ų118170.6 Ų170.680%0.79782%0.822SS**  trans-119.2143.7171.9-64.80000109.3
472D46.1Very low40.5Very low148 Ų148170.3 Ų170.379%0.79182%0.817SS**  trans-63.4145.4-157-59.4-85.8000117.5
473P39Very low40.7Very low116 Ų116168.8 Ų168.875%0.75382%0.821SS**  trans-99.551.8173.840-35.8000113.1
474Y43.5Very low41.2Very low201 Ų201173.1 Ų173.179%0.78883%0.829SS**  trans-142.1150.5178.7-87.9-78.3000113.9
475F41Very low41.5Very low187 Ų187172.9 Ų172.982%0.8283%0.83SS**  trans64.1112.6-168.2-62.9-90.9000112.9
476S38.8Very low42Very low103 Ų103167 Ų16772%0.7282%0.82SS**  cis60.992.417.7-164.90000114.9
477I44.7Very low42.3Very low150 Ų150168.9 Ų168.977%0.76983%0.832SS**  -174.6148.3123.7-92153.9000109.4
478K45.4Very low42.7Very low176 Ų176167.3 Ų167.377%0.76583%0.833SS**  trans-23.4155.5164.4-52.5173.9-177.8177.80116.3
479D51.6Low42.7Very low230 Ų230165.4 Ų165.4100%1.2383%0.834SS**  cis-124.8031.7-64.7-53.3000116

Retrieved 479 of 479 residues in 622.6 ms (Link to these results)