A0A077ZGQ9_TRITR Loading...

TIMELESS-interacting protein

Plays an important role in the control of DNA replication and the maintenance of replication fork stability.

AlphaFold DB , UniProt , Accession A0A077ZGQ9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M48Very low59.6Low220 Ų220161.3 Ų161.3100%1.08485%0.848SS**  049.70-56.2-150.5-17500107.3
2D55.6Low60Low139 Ų139160.6 Ų160.674%0.74385%0.845SS**  100.28869.5-64.3-19.9000106.5
3E57.9Low59.7Low188 Ų188156.6 Ų156.688%0.87984%0.839SS**  7994.296.2-78.6-161.2135.800112.9
4T64Low60.3Low151 Ų151153.3 Ų153.393%0.92683%0.83SS**  trans-81109.3163.2330000109.8
5S66.6Low60.1Low102 Ų102152.3 Ų152.371%0.71382%0.824SS**  trans-88.2127.1173.8176.60000110.9
6F58Low60.1Low199 Ų199152.5 Ų152.587%0.87382%0.818SS**  trans-114.6104.3171.2-172.2-94.5000107.4
7Y64.2Low59.9Low219 Ų219151.6 Ų151.686%0.85981%0.813SS**  trans-94.5136.4174.1-115.3-95000109.9
8G58.8Low59.4Low55 Ų55152.3 Ų152.357%0.56782%0.816SS**  trans-73-179.1-164.900000117.5
9P64Low59.1Low132 Ų132151.7 Ų151.786%0.85781%0.813SS**PPolyproline II helixtrans-86.9143.9-162.734-32.5000113.2
10Q61.4Low59Low192 Ų192149.3 Ų149.390%0.89781%0.809SS**PPolyproline II helixtrans-74.9122.5176.4-170.1147.5-6.300110.2
11L57.5Low58.8Low177 Ų177153 Ų15393%0.92781%0.811SS**PPolyproline II helixtrans-80.4122.8169.9-84.9163.1000108.9
12D64.2Low58.7Low153 Ų153149.4 Ų149.482%0.81880%0.796SS**PPolyproline II helixtrans-102.3127.7176-16736.8000108.7
13S56.3Low58.4Low109 Ų109147.8 Ų147.876%0.76280%0.796SS**PPolyproline II helixtrans-95.4143.2175.8-117.40000109.1
14P68.4Low58Low110 Ų110146.2 Ų146.271%0.71479%0.793SS**  trans-127116.2145.430.4-16.6000111.4
15D56.5Low57.7Low138 Ų138146.3 Ų146.374%0.73879%0.787SS**  56.3116.7116.3-66.9-18.3000121
16E59.8Low56.6Low156 Ų156146.8 Ų146.873%0.72979%0.787SS**  84.2132.7129.2-56.2-69.898.200120.6
17D58Low56.2Low137 Ų137145.6 Ų145.673%0.73379%0.789SS**  trans78.672.7150.8-51.4-31.8000120.1D19D17-D19 VanDerWaalsContact C-N 3.34Å; D17-D19 PolarHBondContact O-N 2.65Å
18N49.3Very low55.3Low164 Ų164141.9 Ų141.988%0.87778%0.784SS**  trans-83.278.6155.3-170.830.8000110.3
19D54.2Low54.6Low141 Ų141148.2 Ų148.275%0.75480%0.799SS**  trans-88.3152.3168.6-164.58.7000110.4D17D17-D19 VanDerWaalsContact C-N 3.34Å; D17-D19 PolarHBondContact O-N 2.65Å
20S57Low53.9Low103 Ų103150 Ų15072%0.7280%0.8SS**  trans85.662.3177.4-49.80000116.9D22S20-D22 PolarHBondContact O-N 3.03Å
21R54.8Low53Low228 Ų228145.4 Ų145.486%0.8679%0.79SS**  trans-64.6114.4153.1-62.9171.191.9167.66.2109.1S23R21-S23 PolarHBondContact O-N 3.2Å
22D47.3Very low52.3Low144 Ų144144.8 Ų144.877%0.7779%0.787SS**  37.585.2129.6-144.98.5000115.3S20S20-D22 PolarHBondContact O-N 3.03Å
23S49Very low51.3Low106 Ų106142 Ų14274%0.74179%0.786SS**  trans-126.663.5168.4-72.90000109.4R21 L25R21-S23 PolarHBondContact O-N 3.2Å; S23-L25 VanDerWaalsContact C-N 3.34Å; S23-L25 PolarHBondContact O-N 3.43Å; S23-L25 VanDerWaalsContact O-N 3.15Å
24L48.9Very low50.8Low155 Ų155146 Ų14681%0.81279%0.792SS**  trans-73.992.6160.3-70.3176.4000107.8P26L24-P26 WeakPolarHBondContact O-CD 3.43Å
25L57.2Low49.3Very low153 Ų153147.7 Ų147.780%0.80180%0.801SS**  trans-65.9123.9171.6-67.6175.5000109.8S23 L27S23-L25 VanDerWaalsContact C-N 3.34Å; S23-L25 PolarHBondContact O-N 3.43Å; S23-L25 VanDerWaalsContact O-N 3.15Å; L25-L27 PolarHBondContact O-N 3.46Å
26P44.5Very low48.8Very low112 Ų112144 Ų14473%0.72780%0.795SS**  trans-63.7124.1167.2-21.234.6000109.9L24 D28L24-P26 WeakPolarHBondContact O-CD 3.43Å; P26-D28 VanDerWaalsContact C-N 3.27Å; P26-D28 PolarHBondContact O-N 3.36Å
27L49.3Very low48.2Very low173 Ų173143 Ų14391%0.90680%0.8SS**  trans-91.862.8-177.4-146.1128.5000109L25L25-L27 PolarHBondContact O-N 3.46Å
28D45.3Very low48.4Very low142 Ų142142 Ų14276%0.75980%0.799SS**  trans-127.7140.4171-77.3-47.1000108.1P26P26-D28 VanDerWaalsContact C-N 3.27Å; P26-D28 PolarHBondContact O-N 3.36Å
29E43Very low48.9Very low187 Ų187143.6 Ų143.687%0.87480%0.798SS**  trans82.676174.9-55.9-171.7109.900118.3
30L50.7Low49.4Very low170 Ų170140.6 Ų140.689%0.8978%0.781SS**  trans-117.991.4136.2-68.9178000106.9
31S42.3Very low50.2Low96 Ų96140.2 Ų140.267%0.67178%0.775SS**  76.194.197.681.40000113
32N42.6Very low51.2Low164 Ų164135.3 Ų135.388%0.87777%0.766SS**  28.5137.9126.9-70-15.8000120
33A42Very low52.5Low95 Ų95134.3 Ų134.379%0.78576%0.757SS**  trans100.684151.800000116.1
34E46.2Very low53.6Low192 Ų192133 Ų13390%0.89774%0.739SS**  -175.7111.9104.2-105.9179.5136.500109.4G36E34-G36 VanDerWaalsContact C-N 3.26Å; E34-G36 PolarHBondContact O-N 3.25Å
35T38.4Very low54.7Low145 Ų145129 Ų12989%0.8972%0.717SS**  trans-72.979.7172.146.50000109.7
36G45.7Very low55.5Low61 Ų61126 Ų12663%0.62970%0.702SS**  trans-9585.9163.900000109.5E34 V38E34-G36 VanDerWaalsContact C-N 3.26Å; E34-G36 PolarHBondContact O-N 3.25Å; G36-V38 PolarHBondContact O-N 3.41Å
37T46.9Very low56.9Low136 Ų136128.7 Ų128.783%0.83470%0.697SS**  trans-71.172.9174.955.50000110.2K39T37-K39 PolarHBondContact O-N 3Å
38V62Low57.7Low115 Ų115127 Ų12770%0.69769%0.685SS**  trans-79.2106.8165.5-166.30000105.4G36 L40G36-V38 PolarHBondContact O-N 3.41Å; V38-L40 PolarHBondContact O-N 3.27Å
39K59.9Low58.7Low198 Ų198126.3 Ų126.386%0.86168%0.68SS**  trans-62.892.8168.8-71.4179.4178.8-177.90106.8T37 T41T37-K39 PolarHBondContact O-N 3Å; K39-T41 PolarHBondContact O-N 2.97Å; K39-T41 VanDerWaalsContact O-N 3.15Å
40L64.7Low59.8Low77 Ų77123.9 Ų123.940%0.40367%0.669SS.*  trans-57.2120.8170.1-91.589.5000107.1V38 E44 I45V38-L40 PolarHBondContact O-N 3.27Å; L40-E44 HydrophobicContact CB-CB 4.46Å; L40-E44 HydrophobicContact CD2-CB 4.03Å; L40-E44 HydrophobicContact CD2-CG 3.69Å; L40-E44 HydrophobicContact CG-CB 4.37Å; L40-E44 HydrophobicContact CG-CG 4.23Å; L40-I45 HydrophobicContact CB-CD1 4.42Å; L40-I45 HydrophobicContact CB-CG1 3.95Å
41T73.9Confident60.5Low96 Ų96121.4 Ų121.459%0.58966%0.663SS**  trans-58.2146.317141.60000109.4K39 E43 E44 I45K39-T41 PolarHBondContact O-N 2.97Å; K39-T41 VanDerWaalsContact O-N 3.15Å; T41-E43 PolarHBondContact O-N 3.17Å; T41-E44 WeakPolarHBondContact O-CA 3.21Å; T41-E44 WeakPolarHBondContact O-CB 3.39Å; T41-E44 PolarHBondContact O-N 2.79Å; T41-I45 PolarHBondContact O-N 2.98Å
42D74.6Confident61.3Low125 Ų125123.5 Ų123.567%0.66867%0.665SS**Hα-helixtrans-51.9-29.9-178.8-138.525.6000112I45 L46D42-I45 PolarHBondContact O-N 3.35Å; D42-L46 WeakPolarHBondContact O-CB 3.48Å; D42-L46 VanDerWaalsContact O-CG 3.31Å; D42-L46 WeakPolarHBondContact O-CG 3.37Å; D42-L46 PolarHBondContact O-N 3.37Å
43E75.3Confident61.7Low123 Ų123124 Ų12458%0.57566%0.662SS**Hα-helixtrans-72.7-28.2174.9-66.9-64.8-155.200115.7T41 L46 R47T41-E43 PolarHBondContact O-N 3.17Å; E43-L46 WeakPolarHBondContact OE2-CD1 3.35Å; E43-R47 WeakPolarHBondContact O-CB 3.48Å; E43-R47 WeakPolarHBondContact O-CG 3.3Å; E43-R47 PolarHBondContact O-N 3.27Å
44E71.8Confident62.7Low79 Ų79124.1 Ų124.137%0.36965%0.649SS.*Hα-helixtrans-77.1-33174.1-162.466.3-163.600110.2L40 T41 R47 Q48L40-E44 HydrophobicContact CB-CB 4.46Å; L40-E44 HydrophobicContact CD2-CB 4.03Å; L40-E44 HydrophobicContact CD2-CG 3.69Å; L40-E44 HydrophobicContact CG-CB 4.37Å; L40-E44 HydrophobicContact CG-CG 4.23Å; T41-E44 WeakPolarHBondContact O-CA 3.21Å; T41-E44 WeakPolarHBondContact O-CB 3.39Å; T41-E44 PolarHBondContact O-N 2.79Å; E44-R47 PolarHBondContact O-N 3Å; E44-Q48 WeakPolarHBondContact O-CG 3.45Å; E44-Q48 PolarHBondContact O-N 3.48Å
45I73.3Confident63.3Low70 Ų70120.9 Ų120.936%0.35965%0.645SS.*Hα-helixtrans-65.9-44.2171.7-58.3174.3000109.8L40 T41 D42 Q48 L49L40-I45 HydrophobicContact CB-CD1 4.42Å; L40-I45 HydrophobicContact CB-CG1 3.95Å; T41-I45 PolarHBondContact O-N 2.98Å; D42-I45 PolarHBondContact O-N 3.35Å; I45-Q48 PolarHBondContact O-N 3.06Å; I45-L49 HydrophobicContact CG2-CD1 3.89Å; I45-L49 HydrophobicContact CG2-CG 4.48Å; I45-L49 WeakPolarHBondContact O-CB 3.48Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.33Å; I45-L49 PolarHBondContact O-N 3.33Å
46L73.2Confident64.1Low90 Ų90121 Ų12147%0.47164%0.64SS.*Hα-helixtrans-64.3-39.7176.6-75.4168.2000112.2D42 E43 Q48 L49 E50D42-L46 WeakPolarHBondContact O-CB 3.48Å; D42-L46 VanDerWaalsContact O-CG 3.31Å; D42-L46 WeakPolarHBondContact O-CG 3.37Å; D42-L46 PolarHBondContact O-N 3.37Å; E43-L46 WeakPolarHBondContact OE2-CD1 3.35Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 3.5Å; L46-L49 CarbonylContact O-C 3.5Å; L46-L49 PolarHBondContact O-N 3.5Å; L46-E50 PolarHBondContact O-N 2.96Å
47R73.3Confident64.4Low169 Ų169121.7 Ų121.764%0.63864%0.635SS**Hα-helixtrans-65-33173.8-76.4171.7177.6-167.2-1.3113.7E43 E44E43-R47 WeakPolarHBondContact O-CB 3.48Å; E43-R47 WeakPolarHBondContact O-CG 3.3Å; E43-R47 PolarHBondContact O-N 3.27Å; E44-R47 PolarHBondContact O-N 3Å
48Q66.7Low64.4Low137 Ų137118.7 Ų118.764%0.6463%0.631SS**Hα-helixtrans-77.5-22.8174.2-72.6-174.58.500113.1E44 I45 L46E44-Q48 WeakPolarHBondContact O-CG 3.45Å; E44-Q48 PolarHBondContact O-N 3.48Å; I45-Q48 PolarHBondContact O-N 3.06Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 3.5Å
49L65.5Low64.1Low127 Ų127120 Ų12067%0.66563%0.633SS**Hα-helixtrans-91.3-9.5174.8-68.7174000113.3I45 L46 P51I45-L49 HydrophobicContact CG2-CD1 3.89Å; I45-L49 HydrophobicContact CG2-CG 4.48Å; I45-L49 WeakPolarHBondContact O-CB 3.48Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.33Å; I45-L49 PolarHBondContact O-N 3.33Å; L46-L49 CarbonylContact O-C 3.5Å; L46-L49 PolarHBondContact O-N 3.5Å; L49-P51 WeakPolarHBondContact O-CD 3.43Å
50E66.1Low64Low137 Ų137121.5 Ų121.564%0.6463%0.634SS**SBendtrans-59.3123.2169.1-85.9-169.3168.100108.7L46 I52L46-E50 PolarHBondContact O-N 2.96Å; E50-I52 PolarHBondContact O-N 2.93Å
51P65.9Low63.9Low118 Ų118126.9 Ų126.977%0.76665%0.654SS**  trans-58111.5178.4-21.331.4000108.3L49 H53L49-P51 WeakPolarHBondContact O-CD 3.43Å; P51-H53 VanDerWaalsContact C-N 3.31Å; P51-H53 PolarHBondContact O-N 3.33Å
52I59Low63.1Low140 Ų140126.7 Ų126.772%0.71866%0.662SS**  trans-52.2104169.4-60.4171.3000105.6E50 D54E50-I52 PolarHBondContact O-N 2.93Å; I52-D54 PolarHBondContact O-N 2.91Å
53H52Low62.6Low175 Ų175132 Ų13281%0.8167%0.673SS**  trans-74.273.5178.4-162.499.2000106.4P51 P55P51-H53 VanDerWaalsContact C-N 3.31Å; P51-H53 PolarHBondContact O-N 3.33Å; H53-P55 WeakPolarHBondContact O-CD 3.39Å
54D61.4Low62.2Low97 Ų97131.2 Ų131.252%0.51968%0.681SS.*  trans-63.8112.1171.8-84.4-33.5000107.3I52 N56 S57I52-D54 PolarHBondContact O-N 2.91Å; D54-N56 PolarHBondContact O-N 3.2Å; D54-S57 VanDerWaalsContact O-CB 3.28Å; D54-S57 WeakPolarHBondContact O-CB 3.41Å; D54-S57 PolarHBondContact O-N 2.91Å
55P59.1Low62Low124 Ų124137.5 Ų137.581%0.80570%0.701SS**THydrogen-bonded Turntrans-67.78.417929.5-34.3000113.1H53H53-P55 WeakPolarHBondContact O-CD 3.39Å
56N55.1Low61.8Low148 Ų148142.9 Ų142.979%0.79172%0.722SS**THydrogen-bonded Turntrans-117.97.5172.2-102.2-36.4000114D54 G58D54-N56 PolarHBondContact O-N 3.2Å; N56-G58 PolarHBondContact O-N 2.83Å
57S52.2Low61.5Low74 Ų74145.9 Ų145.952%0.51774%0.738SS.*THydrogen-bonded Turntrans-837.3179.51780000113.9D54 L59D54-S57 VanDerWaalsContact O-CB 3.28Å; D54-S57 WeakPolarHBondContact O-CB 3.41Å; D54-S57 PolarHBondContact O-N 2.91Å; S57-L59 VanDerWaalsContact C-N 3.35Å; S57-L59 PolarHBondContact O-N 2.9Å
58G47Very low61.3Low73 Ų73144.6 Ų144.675%0.75374%0.737SS**THydrogen-bonded Turntrans-81.41.3179.300000116.2N56N56-G58 PolarHBondContact O-N 2.83Å
59L57Low61.6Low142 Ų142142.2 Ų142.274%0.74373%0.733SS**  trans-120.659.1-178.9-61.6176.4000111.4S57 K61S57-L59 VanDerWaalsContact C-N 3.35Å; S57-L59 PolarHBondContact O-N 2.9Å; L59-K61 PolarHBondContact O-N 3.33Å
60R57.2Low62.3Low231 Ų231142.9 Ų142.987%0.87273%0.731SS**  trans-65.290.6157.3-69-168179.5-157.4-0.2107A62R60-A62 VanDerWaalsContact C-N 3.33Å; R60-A62 PolarHBondContact O-N 3.45Å
61K61.4Low63.2Low189 Ų189136.9 Ų136.982%0.82270%0.703SS**  trans-49.2101.4169.4-79.1152.1179.4164.90106.7L59 R63L59-K61 PolarHBondContact O-N 3.33Å; K61-R63 PolarHBondContact O-N 2.9Å
62A58Low64.3Low93 Ų93135.2 Ų135.277%0.76969%0.688SS**  trans-53110.8171.800000105.7R60 S64R60-A62 VanDerWaalsContact C-N 3.33Å; R60-A62 PolarHBondContact O-N 3.45Å; A62-S64 VanDerWaalsContact C-N 3.32Å; A62-S64 PolarHBondContact O-N 3.46Å
63R63.2Low65.8Low235 Ų235131.5 Ų131.589%0.88767%0.668SS**  trans-56.6103.2178.2-175178.9-170.7177.93.4105.6K61 R65K61-R63 PolarHBondContact O-N 2.9Å; R63-R65 PolarHBondContact O-N 3.47Å
64S68.4Low67.5Low107 Ų107132 Ų13275%0.74866%0.662SS**  trans-55.1106.6-179.6-177.70000106.8A62 K66A62-S64 VanDerWaalsContact C-N 3.32Å; A62-S64 PolarHBondContact O-N 3.46Å; S64-K66 PolarHBondContact O-N 3.05Å
65R67.5Low68.8Low211 Ų211132.3 Ų132.380%0.79666%0.656SS**  trans-60.1125.8173.1-71.1-174.1-71149.2-3.4104.9R63 L67R63-R65 PolarHBondContact O-N 3.47Å; R65-L67 PolarHBondContact O-N 3.48Å
66K69.1Low70.3Confident184 Ų184126.6 Ų126.680%0.862%0.619SS**  trans-52.4107.1173.7-67-178.2179.6-178.60106.9S64 F68S64-K66 PolarHBondContact O-N 3.05Å; K66-F68 PolarHBondContact O-N 3.39Å; K66-F68 VanDerWaalsContact O-N 3.08Å
67L67.5Low72Confident152 Ų152120.8 Ų120.880%0.79659%0.589SS**  trans-72.6104.7176.6-63.8179.3000105.5R65R65-L67 PolarHBondContact O-N 3.48Å
68F68.7Low73.6Confident143 Ų143117.5 Ų117.563%0.62757%0.566SS**PPolyproline II helixtrans-61.2131.4171.2-68.3-78.2000108.1K66 K70K66-F68 PolarHBondContact O-N 3.39Å; K66-F68 VanDerWaalsContact O-N 3.08Å; F68-K70 PolarHBondContact O-N 3.08Å
69P71.5Confident75.4Confident86 Ų86117.5 Ų117.556%0.55855%0.552SS**PPolyproline II helixtrans-50.4130.5171.2-25.434.1000109.1F119P69-F119 HydrophobicContact CB-CE1 4.19Å; P69-F119 WeakPolarHBondContact O-CD1 3.39Å; P69-F119 WeakPolarHBondContact O-CE1 3.29Å
70K80.2Confident76.6Confident142 Ų142111.7 Ų111.762%0.61752%0.523SS*.PPolyproline II helixtrans-95.7147.4177-68.4-179.3-178.6177.10110.3F68 D72 F119F68-K70 PolarHBondContact O-N 3.08Å; K70-D72 WeakPolarHBondContact CB-OD1 3.28Å; K70-D72 PolarHBondContact O-N 3.33Å; K70-F119 WeakPolarHBondContact O-CE1 3.48Å; K70-F119 VanDerWaalsContact O-CZ 3.23Å; K70-F119 WeakPolarHBondContact O-CZ 3.14Å
71L86.8Confident78.1Confident10 Ų10100.7 Ų100.75%0.05248%0.481CS..  trans-7287.6169.7-176.345.2000107.8L76 F119 L127 R130 L131 L134L71-L76 HydrophobicContact CD1-CB 4.26Å; L71-L76 HydrophobicContact CD1-CD1 4.47Å; L71-F119 VanDerWaalsContact CA-CE2 3.45Å; L71-F119 HydrophobicContact CB-CD1 4.18Å; L71-F119 HydrophobicContact CB-CD2 3.55Å; L71-F119 HydrophobicContact CB-CE1 3.96Å; L71-F119 HydrophobicContact CB-CE2 3.27Å; L71-F119 HydrophobicContact CB-CG 4.02Å; L71-F119 HydrophobicContact CB-CZ 3.5Å; L71-F119 VanDerWaalsContact CB-CZ 3.5Å; L71-F119 HydrophobicContact CD1-CD2 3.95Å; L71-F119 HydrophobicContact CD1-CE2 3.21Å; L71-F119 HydrophobicContact CD1-CZ 3.91Å; L71-F119 HydrophobicContact CD2-CD2 3.9Å; L71-F119 HydrophobicContact CD2-CE2 4.02Å; L71-F119 HydrophobicContact CG-CD2 3.93Å; L71-F119 HydrophobicContact CG-CE2 3.57Å; L71-F119 HydrophobicContact CG-CZ 4.19Å; L71-L127 HydrophobicContact CD2-CD1 3.84Å; L71-R130 HydrophobicContact CD2-CB 3.81Å; L71-R130 HydrophobicContact CG-CB 4.46Å; L71-L131 HydrophobicContact CD2-CD2 4.27Å; L71-L131 HydrophobicContact CD2-CG 4.32Å; L71-L134 HydrophobicContact CB-CD1 4.5Å; L71-L134 HydrophobicContact CD1-CD1 3.63Å; L71-L134 HydrophobicContact CD2-CD1 4.4Å; L71-L134 HydrophobicContact CG-CD1 3.52Å
72D88.3Confident79.5Confident84 Ų8493.1 Ų93.145%0.44945%0.45SS..  trans-109.5159.3177.7-64.4-23.2000109.4K70 R74 R75 L76K70-D72 WeakPolarHBondContact CB-OD1 3.28Å; K70-D72 PolarHBondContact O-N 3.33Å; D72-R74 PolarHBondContact O-N 3.4Å; D72-R74 VanDerWaalsContact O-N 3.16Å; D72-R75 PolarHBondContact O-N 2.84Å; D72-L76 PolarHBondContact O-N 2.94Å
73E89.8Confident80.9Confident61 Ų6189.9 Ų89.929%0.28542%0.421SS..Hα-helixtrans-50.4-43.7179.2-60.8157.2-125.300111.8R75 L76 T77 L134 K137 A139 V140E73-R75 VanDerWaalsContact C-N 3.28Å; E73-R75 PolarHBondContact O-N 3.15Å; E73-L76 PolarHBondContact O-N 2.91Å; E73-T77 WeakPolarHBondContact O-CG2 3.39Å; E73-T77 PolarHBondContact O-N 3.46Å; E73-T77 PolarHBondContact O-OG1 2.9Å; E73-L134 HydrophobicContact CG-CD2 3.9Å; E73-K137 HydrophobicContact CG-CB 4.39Å; E73-K137 HydrophobicContact CG-CD 3.46Å; E73-K137 VanDerWaalsContact CG-CD 3.46Å; E73-K137 WeakPolarHBondContact OE1-CD 3.42Å; E73-K137 WeakPolarHBondContact OE1-CE 3.47Å; E73-K137 IonicContact OE1-NZ 3.6Å; E73-K137 PolarHBondContact OE1-NZ 3.29Å; E73-A139 WeakPolarHBondContact OE2-CB 3.47Å; E73-V140 HydrophobicContact CB-CG2 4.15Å; E73-V140 HydrophobicContact CG-CG2 4.07Å
74R88.3Confident82.1Confident186 Ų18680.3 Ų80.370%0.70239%0.389SS*.Hα-helixtrans-63.9-30.9-179.8-65-175.4177.1-165.2-0.8113.5D72 G78 Q160D72-R74 PolarHBondContact O-N 3.4Å; D72-R74 VanDerWaalsContact O-N 3.16Å; R74-G78 WeakPolarHBondContact O-CA 3.22Å; R74-G78 PolarHBondContact O-N 3.48Å; R74-Q160 PolarHBondContact O-NE2 3.37Å
75R88.6Confident83.1Confident104 Ų10476.2 Ų76.239%0.39236%0.358SS..Hα-helixtrans-81.9-36.8179.4-17454.6174.8-138.20.6110.3D72 E73 G78 M118 F119D72-R75 PolarHBondContact O-N 2.84Å; E73-R75 VanDerWaalsContact C-N 3.28Å; E73-R75 PolarHBondContact O-N 3.15Å; R75-G78 PolarHBondContact O-N 3Å; R75-M118 HydrophobicContact CG-SD 4.43Å; R75-F119 HydrophobicContact CB-CZ 4.24Å; R75-F119 HydrophobicContact CG-CE1 4.48Å; R75-F119 HydrophobicContact CG-CE2 4.27Å; R75-F119 HydrophobicContact CG-CZ 3.58Å
76L91.1Very high83.9Confident4 Ų470.7 Ų70.72%0.02134%0.344CS..Hα-helixtrans-67.1-40.5175.5-174.961000112.7L71 D72 E73 G78 G81 L82 W114 L131 L134 V140L71-L76 HydrophobicContact CD1-CB 4.26Å; L71-L76 HydrophobicContact CD1-CD1 4.47Å; D72-L76 PolarHBondContact O-N 2.94Å; E73-L76 PolarHBondContact O-N 2.91Å; L76-G78 VanDerWaalsContact C-N 3.35Å; L76-G81 CarbonylContact O-C 3.58Å; L76-G81 WeakPolarHBondContact O-CA 3.38Å; L76-L82 HydrophobicContact CD1-CD1 4.39Å; L76-L82 HydrophobicContact CD1-CD2 3.94Å; L76-L82 HydrophobicContact CD1-CG 3.82Å; L76-L82 HydrophobicContact CG-CD1 4.06Å; L76-L82 HydrophobicContact CG-CD2 4.49Å; L76-L82 HydrophobicContact CG-CG 4Å; L76-L82 PolarHBondContact O-N 3.42Å; L76-W114 HydrophobicContact CD1-CH2 3.72Å; L76-W114 HydrophobicContact CD1-CZ2 4.01Å; L76-L131 HydrophobicContact CD1-CD2 3.56Å; L76-L131 HydrophobicContact CD2-CD2 4.04Å; L76-L131 HydrophobicContact CG-CD2 4.46Å; L76-L134 HydrophobicContact CB-CD1 4.48Å; L76-L134 HydrophobicContact CD2-CB 4.04Å; L76-L134 HydrophobicContact CD2-CD1 4.05Å; L76-V140 HydrophobicContact CD2-CG1 4.06Å; L76-V140 HydrophobicContact CD2-CG2 4.28Å
77T89.9Confident84.6Confident26 Ų2666.1 Ų66.116%0.1634%0.335CS..SBendtrans-88.3-2.5177.661.60000113.9E73 V140 Y143E73-T77 WeakPolarHBondContact O-CG2 3.39Å; E73-T77 PolarHBondContact O-N 3.46Å; E73-T77 PolarHBondContact O-OG1 2.9Å; T77-V140 HydrophobicContact CG2-CG2 4.38Å; T77-Y143 HydrophobicContact CG2-CD1 3.7Å; T77-Y143 HydrophobicContact CG2-CD2 3.87Å; T77-Y143 HydrophobicContact CG2-CE1 4.15Å; T77-Y143 HydrophobicContact CG2-CE2 4.29Å; T77-Y143 HydrophobicContact CG2-CG 3.52Å; T77-Y143 WeakPolarHBondContact O-CE2 3.34Å; T77-Y143 PolarHBondContact O-OH 2.88Å
78G87.3Confident85.2Confident4 Ų462.2 Ų62.24%0.04132%0.318CS..SBendtrans-75.6-174.3-178.900000113.7R74 R75 L76 S80 G81R74-G78 WeakPolarHBondContact O-CA 3.22Å; R74-G78 PolarHBondContact O-N 3.48Å; R75-G78 PolarHBondContact O-N 3Å; L76-G78 VanDerWaalsContact C-N 3.35Å; G78-S80 VanDerWaalsContact C-N 3.31Å; G78-S80 PolarHBondContact O-N 3.26Å; G78-G81 WeakPolarHBondContact O-CA 3.43Å; G78-G81 PolarHBondContact O-N 3.43Å
79T82.9Confident85.4Confident74 Ų7457.2 Ų57.245%0.45430%0.296SS..THydrogen-bonded Turntrans-64.9-30.4-17366.60000114.8G81 T84 M157T79-G81 VanDerWaalsContact C-N 3.29Å; T79-T84 PolarHBondContact O-OG1 2.98Å; T79-M157 HydrophobicContact CG2-CE 3.47Å; T79-M157 VanDerWaalsContact CG2-CE 3.47Å; T79-M157 HydrophobicContact CG2-SD 3.25Å; T79-M157 WeakPolarHBondContact CG2-SD 3.2Å
80S83.1Confident85.5Confident19 Ų1955.6 Ų55.613%0.13329%0.285CS..THydrogen-bonded Turntrans-87.9-1.6175.5-177.40000112.9G78 T84 W114 H117 M118G78-S80 VanDerWaalsContact C-N 3.31Å; G78-S80 PolarHBondContact O-N 3.26Å; S80-T84 VanDerWaalsContact C-OG1 3.24Å; S80-T84 VanDerWaalsContact CA-OG1 3.29Å; S80-T84 WeakPolarHBondContact CA-OG1 3.38Å; S80-T84 PolarHBondContact O-OG1 2.91Å; S80-W114 PolarHBondContact O-NE1 2.9Å; S80-H117 PolarHBondContact OG-CE1 2.97Å; S80-H117 PolarHBondContact OG-ND1 3.3Å; S80-M118 WeakPolarHBondContact O-CE 3.37Å
81G89.7Confident84.9Confident0 Ų052.7 Ų52.70%028%0.282CS..SBendtrans-66.7-149.4-16800000117.5L76 G78 T79 P83 T84 L85 W114L76-G81 CarbonylContact O-C 3.58Å; L76-G81 WeakPolarHBondContact O-CA 3.38Å; G78-G81 WeakPolarHBondContact O-CA 3.43Å; G78-G81 PolarHBondContact O-N 3.43Å; T79-G81 VanDerWaalsContact C-N 3.29Å; G81-P83 VanDerWaalsContact C-N 3.26Å; G81-T84 PolarHBondContact O-N 3.26Å; G81-L85 PolarHBondContact O-N 2.88Å; G81-W114 PolarHBondContact O-NE1 3.46Å
82L89.6Confident83.7Confident31 Ų3157.7 Ų57.716%0.16231%0.314CS..Hα-helixtrans-50.5-35.8164.1-64.2170000113.8L76 T84 L85 L86 Y143 L144 M147L76-L82 HydrophobicContact CD1-CD1 4.39Å; L76-L82 HydrophobicContact CD1-CD2 3.94Å; L76-L82 HydrophobicContact CD1-CG 3.82Å; L76-L82 HydrophobicContact CG-CD1 4.06Å; L76-L82 HydrophobicContact CG-CD2 4.49Å; L76-L82 HydrophobicContact CG-CG 4Å; L76-L82 PolarHBondContact O-N 3.42Å; L82-T84 PolarHBondContact O-N 3.03Å; L82-L85 WeakPolarHBondContact O-CB 3.45Å; L82-L85 PolarHBondContact O-N 3.06Å; L82-L86 PolarHBondContact O-N 3Å; L82-Y143 HydrophobicContact CB-CE1 4.11Å; L82-Y143 HydrophobicContact CD1-CD1 4Å; L82-Y143 HydrophobicContact CD1-CE1 3.88Å; L82-L144 HydrophobicContact CD1-CD2 3.84Å; L82-L144 HydrophobicContact CD1-CG 4.5Å; L82-M147 HydrophobicContact CB-CE 3.88Å
83P88.1Confident82.5Confident25 Ų2556.4 Ų56.416%0.16231%0.311CS..Hα-helixtrans-62.4-41.5176.4-26.137000113.1G81 L86 S87 Y143 M147 F152G81-P83 VanDerWaalsContact C-N 3.26Å; P83-L86 PolarHBondContact O-N 3Å; P83-S87 WeakPolarHBondContact O-CB 3.46Å; P83-S87 PolarHBondContact O-N 3.35Å; P83-Y143 WeakPolarHBondContact CD-OH 3.1Å; P83-Y143 WeakPolarHBondContact CG-OH 3.49Å; P83-M147 HydrophobicContact CG-CE 4.5Å; P83-F152 HydrophobicContact CB-CE1 4.29Å; P83-F152 HydrophobicContact CG-CE1 3.85Å; P83-F152 HydrophobicContact CG-CZ 4.07Å
84T87.7Confident81.5Confident33 Ų3355.8 Ų55.820%0.20231%0.309CS..Hα-helixtrans-64.2-47.9176.6-52.50000109.7T79 S80 G81 L82 L86 S87 T88T79-T84 PolarHBondContact O-OG1 2.98Å; S80-T84 VanDerWaalsContact C-OG1 3.24Å; S80-T84 VanDerWaalsContact CA-OG1 3.29Å; S80-T84 WeakPolarHBondContact CA-OG1 3.38Å; S80-T84 PolarHBondContact O-OG1 2.91Å; G81-T84 PolarHBondContact O-N 3.26Å; L82-T84 PolarHBondContact O-N 3.03Å; T84-L86 VanDerWaalsContact C-N 3.28Å; T84-L86 PolarHBondContact O-N 3.43Å; T84-S87 PolarHBondContact O-N 3.35Å; T84-S87 VanDerWaalsContact O-N 3.12Å; T84-T88 HydrophobicContact CG2-CG2 4.11Å; T84-T88 PolarHBondContact O-N 2.79Å; T84-T88 PolarHBondContact O-OG1 2.76Å
85L88.7Confident80.6Confident22 Ų2253.8 Ų53.812%0.11532%0.318CS..Iπ-helixtrans-53.1-45.9176.4-173.458.4000112.2G81 L82 H89 V90 I111 W114G81-L85 PolarHBondContact O-N 2.88Å; L82-L85 WeakPolarHBondContact O-CB 3.45Å; L82-L85 PolarHBondContact O-N 3.06Å; L85-H89 HydrophobicContact CD1-CB 3.81Å; L85-H89 VanDerWaalsContact O-CB 3.32Å; L85-H89 WeakPolarHBondContact O-CB 3.49Å; L85-H89 PolarHBondContact O-N 3.26Å; L85-V90 PolarHBondContact O-N 3.45Å; L85-I111 HydrophobicContact CD1-CD1 3.76Å; L85-I111 HydrophobicContact CD2-CD1 4.11Å; L85-I111 HydrophobicContact CG-CD1 4.4Å; L85-W114 HydrophobicContact CB-CD2 4.29Å; L85-W114 HydrophobicContact CB-CG 4.33Å; L85-W114 HydrophobicContact CB-CZ2 4.44Å; L85-W114 HydrophobicContact CD1-CB 3.88Å; L85-W114 HydrophobicContact CD1-CD2 3.91Å; L85-W114 HydrophobicContact CD1-CE3 4.33Å; L85-W114 HydrophobicContact CD1-CG 3.68Å; L85-W114 HydrophobicContact CD2-CD2 4.01Å; L85-W114 HydrophobicContact CD2-CE3 4Å; L85-W114 HydrophobicContact CD2-CH2 4.15Å; L85-W114 HydrophobicContact CD2-CZ2 4.17Å; L85-W114 HydrophobicContact CD2-CZ3 4.06Å; L85-W114 HydrophobicContact CG-CD2 4.3Å; L85-W114 HydrophobicContact CG-CG 4.43Å
86L85.8Confident79.8Confident94 Ų9450.9 Ų50.949%0.49232%0.321SS..Iπ-helixtrans-68.6-39.7179.8-170.862.1000112.3L82 P83 T84 M147L82-L86 PolarHBondContact O-N 3Å; P83-L86 PolarHBondContact O-N 3Å; T84-L86 VanDerWaalsContact C-N 3.28Å; T84-L86 PolarHBondContact O-N 3.43Å; L86-M147 HydrophobicContact CD2-CG 4.38Å; L86-M147 HydrophobicContact CD2-SD 3.92Å
87S82.8Confident78.7Confident89 Ų8957 Ų5762%0.62236%0.363SS*.Iπ-helixtrans-81.9-38.9-174.2-176.40000114.7P83 T84P83-S87 WeakPolarHBondContact O-CB 3.46Å; P83-S87 PolarHBondContact O-N 3.35Å; T84-S87 PolarHBondContact O-N 3.35Å; T84-S87 VanDerWaalsContact O-N 3.12Å
88T79.6Confident78.1Confident69 Ų6961.3 Ų61.342%0.42338%0.382SS..Iπ-helixtrans-103.5-23.8-169.259.90000113.5T84T84-T88 HydrophobicContact CG2-CG2 4.11Å; T84-T88 PolarHBondContact O-N 2.79Å; T84-T88 PolarHBondContact O-OG1 2.76Å
89H73.8Confident78.1Confident38 Ų3865.1 Ų65.118%0.17640%0.401CS..Iπ-helixtrans-116.4-39-159.1-77.7-50.3000112.7L85 V110L85-H89 HydrophobicContact CD1-CB 3.81Å; L85-H89 VanDerWaalsContact O-CB 3.32Å; L85-H89 WeakPolarHBondContact O-CB 3.49Å; L85-H89 PolarHBondContact O-N 3.26Å; H89-V110 HydrophobicContact CB-CG1 3.39Å
90V73.5Confident78.4Confident52 Ų5266.9 Ų66.932%0.31541%0.406SS..SBendtrans-84.1-31.9-176.6177.80000112.9L85 T92 I94L85-V90 PolarHBondContact O-N 3.45Å; V90-T92 PolarHBondContact O-N 3Å; V90-I94 HydrophobicContact CG1-CD1 4.5Å
91S66.9Low78.8Confident81 Ų8173.7 Ų73.757%0.56643%0.43SS*.THydrogen-bonded Turntrans-76.3-22.3-167.8-55.70000115.5
92T62.5Low78.8Confident116 Ų11677.2 Ų77.271%0.71245%0.451SS*.THydrogen-bonded Turntrans-105.3-19.1-161550000116V90V90-T92 PolarHBondContact O-N 3Å
93S62.5Low78.7Confident57 Ų5779.2 Ų79.240%0.39946%0.456SS..THydrogen-bonded Turntrans-119.3-14.5-167.3550000116.1
94I69Low78.9Confident47 Ų4782.2 Ų82.224%0.24147%0.47CS..SBendtrans-97.8-9-167.1-48.9168.6000112.1V90 G96 R103 F107V90-I94 HydrophobicContact CG1-CD1 4.5Å; I94-G96 PolarHBondContact O-N 3.49Å; I94-R103 HydrophobicContact CG2-CB 4.48Å; I94-R103 WeakPolarHBondContact O-CD 3.46Å; I94-F107 HydrophobicContact CD1-CB 4.2Å; I94-F107 HydrophobicContact CD1-CD2 3.54Å; I94-F107 HydrophobicContact CD1-CE2 4.37Å; I94-F107 HydrophobicContact CD1-CG 4.29Å
95T69.4Low79Confident144 Ų14485.1 Ų85.188%0.88349%0.485SS*.  trans-9498.6-178.8-54.90000110.2
96G71Confident79.1Confident44 Ų4485.4 Ų85.445%0.45449%0.49SS..SBendtrans-173.4156.4176.400000113.6I94 E98 R103I94-G96 PolarHBondContact O-N 3.49Å; G96-E98 PolarHBondContact O-N 3.18Å; G96-R103 PolarHBondContact O-NH1 2.79Å
97S68.6Low79.2Confident131 Ų13184.4 Ų84.492%0.91648%0.482SS*.SBendtrans-74.731.9176.2-175.70000113
98E78.1Confident79.6Confident117 Ų11783.6 Ų83.655%0.54747%0.47SS..SBendtrans-84.9167.9178.2-164.852.8-13600110.5G96 V102 R103G96-E98 PolarHBondContact O-N 3.18Å; E98-V102 HydrophobicContact CG-CB 3.76Å; E98-V102 HydrophobicContact CG-CG1 3.66Å; E98-V102 HydrophobicContact CG-CG2 4.25Å; E98-R103 PolarHBondContact O-NH1 2.98Å
99D87.1Confident80.2Confident84 Ų8484.1 Ų84.145%0.44947%0.469SS..  trans-55.2141.4169.9-1759.4000111.3Y101 V102 R103D99-Y101 PolarHBondContact O-N 2.92Å; D99-Y101 WeakPolarHBondContact OD1-CD2 3.4Å; D99-Y101 PolarHBondContact OD1-N 3.01Å; D99-V102 HydrophobicContact CB-CG2 4.06Å; D99-V102 PolarHBondContact O-N 3.24Å; D99-R103 PolarHBondContact O-N 3.45Å; D99-R103 VanDerWaalsContact O-N 3.15Å
100M88.8Confident81Confident112 Ų11283.3 Ų83.355%0.55247%0.467SS*.Hα-helixtrans-59.9-36.7179.8-175.6-17574.700111.6V102 R103 L104M100-V102 VanDerWaalsContact C-N 3.34Å; M100-V102 PolarHBondContact O-N 3.16Å; M100-R103 PolarHBondContact O-N 3.08Å; M100-L104 WeakPolarHBondContact O-CB 3.5Å; M100-L104 PolarHBondContact O-N 3.42Å
101Y91.5Very high81.9Confident162 Ų16281.7 Ų81.764%0.63546%0.457SS*.Hα-helixtrans-62.5-41.5177.7-67.7-74.3000112D99 L104 N105D99-Y101 PolarHBondContact O-N 2.92Å; D99-Y101 WeakPolarHBondContact OD1-CD2 3.4Å; D99-Y101 PolarHBondContact OD1-N 3.01Å; Y101-L104 PolarHBondContact O-N 2.97Å; Y101-N105 PolarHBondContact O-N 3.05Å
102V89.7Confident83.1Confident73 Ų7381.4 Ų81.444%0.44245%0.446SS..Hα-helixtrans-65.3-41.9177.4177.50000110.6E98 D99 M100 N105 A106E98-V102 HydrophobicContact CG-CB 3.76Å; E98-V102 HydrophobicContact CG-CG1 3.66Å; E98-V102 HydrophobicContact CG-CG2 4.25Å; D99-V102 HydrophobicContact CB-CG2 4.06Å; D99-V102 PolarHBondContact O-N 3.24Å; M100-V102 VanDerWaalsContact C-N 3.34Å; M100-V102 PolarHBondContact O-N 3.16Å; V102-N105 PolarHBondContact O-N 3.08Å; V102-A106 WeakPolarHBondContact O-CB 3.44Å; V102-A106 PolarHBondContact O-N 2.81Å
103R87.7Confident84.5Confident73 Ų7381.1 Ų81.128%0.27544%0.44SS..Hα-helixtrans-63.3-41.8174.5-72.2-163.8-62.4-86.4-12.8112.8I94 G96 E98 D99 M100 N105 A106 F107I94-R103 HydrophobicContact CG2-CB 4.48Å; I94-R103 WeakPolarHBondContact O-CD 3.46Å; G96-R103 PolarHBondContact O-NH1 2.79Å; E98-R103 PolarHBondContact O-NH1 2.98Å; D99-R103 PolarHBondContact O-N 3.45Å; D99-R103 VanDerWaalsContact O-N 3.15Å; M100-R103 PolarHBondContact O-N 3.08Å; R103-N105 VanDerWaalsContact C-N 3.35Å; R103-A106 PolarHBondContact O-N 2.79Å; R103-F107 WeakPolarHBondContact O-CB 3.48Å; R103-F107 PolarHBondContact O-N 2.97Å
104L91.5Very high85.9Confident88 Ų8878.6 Ų78.646%0.46142%0.422SS..Hα-helixtrans-63.2-44.1177-178.862.3000110.6M100 Y101 F107 M108M100-L104 WeakPolarHBondContact O-CB 3.5Å; M100-L104 PolarHBondContact O-N 3.42Å; Y101-L104 PolarHBondContact O-N 2.97Å; L104-F107 WeakPolarHBondContact O-CB 3.3Å; L104-F107 PolarHBondContact O-N 2.89Å; L104-M108 HydrophobicContact CD1-CE 3.91Å; L104-M108 WeakPolarHBondContact O-CG 3.31Å; L104-M108 PolarHBondContact O-N 3.2Å
105N91.2Very high86.9Confident94 Ų9476.5 Ų76.550%0.50341%0.412SS..Hα-helixtrans-61.5-47176.9-159.176.8000111.2Y101 V102 R103 F107 M108 D109Y101-N105 PolarHBondContact O-N 3.05Å; V102-N105 PolarHBondContact O-N 3.08Å; R103-N105 VanDerWaalsContact C-N 3.35Å; N105-F107 VanDerWaalsContact C-N 3.27Å; N105-F107 PolarHBondContact O-N 3.39Å; N105-M108 PolarHBondContact O-N 3.15Å; N105-M108 VanDerWaalsContact O-N 3.11Å; N105-D109 PolarHBondContact ND2-OD2 2.79Å; N105-D109 PolarHBondContact O-N 3.06Å
106A89.3Confident87.9Confident28 Ų2873.4 Ų73.423%0.23139%0.387CS..Hα-helixtrans-59.7-37.1176.100000112.6V102 R103 V110V102-A106 WeakPolarHBondContact O-CB 3.44Å; V102-A106 PolarHBondContact O-N 2.81Å; R103-A106 PolarHBondContact O-N 2.79Å; A106-V110 WeakPolarHBondContact O-CB 3.46Å; A106-V110 WeakPolarHBondContact O-CG2 3.36Å; A106-V110 PolarHBondContact O-N 3.33Å; A106-V110 VanDerWaalsContact O-N 3.14Å
107F89.6Confident88.8Confident74 Ų7476.9 Ų76.933%0.32539%0.391SS..Hα-helixtrans-65.7-46.1173.8178-109000111.7I94 R103 L104 N105 V110 I111I94-F107 HydrophobicContact CD1-CB 4.2Å; I94-F107 HydrophobicContact CD1-CD2 3.54Å; I94-F107 HydrophobicContact CD1-CE2 4.37Å; I94-F107 HydrophobicContact CD1-CG 4.29Å; R103-F107 WeakPolarHBondContact O-CB 3.48Å; R103-F107 PolarHBondContact O-N 2.97Å; L104-F107 WeakPolarHBondContact O-CB 3.3Å; L104-F107 PolarHBondContact O-N 2.89Å; N105-F107 VanDerWaalsContact C-N 3.27Å; N105-F107 PolarHBondContact O-N 3.39Å; F107-V110 WeakPolarHBondContact O-CB 3.02Å; F107-V110 PolarHBondContact O-N 3.24Å; F107-I111 HydrophobicContact CD1-CG1 4.48Å; F107-I111 HydrophobicContact CD2-CG1 4.5Å; F107-I111 HydrophobicContact CE1-CG1 4.08Å; F107-I111 HydrophobicContact CE2-CD1 3.92Å; F107-I111 HydrophobicContact CE2-CG1 4.13Å; F107-I111 HydrophobicContact CZ-CD1 3.97Å; F107-I111 HydrophobicContact CZ-CG1 3.91Å; F107-I111 WeakPolarHBondContact O-CG1 3.25Å; F107-I111 PolarHBondContact O-N 2.72Å
108M91.4Very high89.7Confident72 Ų7270.9 Ų70.936%0.35535%0.349SS..Hα-helixtrans-61.3-45.6177.7-67.6-59.5-176.500111.7L104 N105 V110 I111 E112 F124L104-M108 HydrophobicContact CD1-CE 3.91Å; L104-M108 WeakPolarHBondContact O-CG 3.31Å; L104-M108 PolarHBondContact O-N 3.2Å; N105-M108 PolarHBondContact O-N 3.15Å; N105-M108 VanDerWaalsContact O-N 3.11Å; M108-V110 PolarHBondContact O-N 3.38Å; M108-I111 PolarHBondContact O-N 2.94Å; M108-I111 VanDerWaalsContact O-N 3.15Å; M108-E112 WeakPolarHBondContact O-CB 3.45Å; M108-E112 PolarHBondContact O-N 2.83Å; M108-F124 HydrophobicContact SD-CE1 4.07Å; M108-F124 HydrophobicContact SD-CZ 3.85Å
109D91.1Very high90.1Very high79 Ų7965.9 Ų65.942%0.42233%0.325SS..Hα-helixtrans-57.8-38.9177-65-27.4000111.5N105 E112 L113N105-D109 PolarHBondContact ND2-OD2 2.79Å; N105-D109 PolarHBondContact O-N 3.06Å; D109-E112 PolarHBondContact O-N 3.39Å; D109-L113 WeakPolarHBondContact O-CB 3.12Å; D109-L113 PolarHBondContact O-N 2.79Å
110V90.8Very high90.1Very high22 Ų2266.5 Ų66.513%0.13333%0.334CS..Hα-helixtrans-66.7-45.6177.3164.40000111.7H89 A106 F107 M108 E112 W114H89-V110 HydrophobicContact CB-CG1 3.39Å; A106-V110 WeakPolarHBondContact O-CB 3.46Å; A106-V110 WeakPolarHBondContact O-CG2 3.36Å; A106-V110 PolarHBondContact O-N 3.33Å; A106-V110 VanDerWaalsContact O-N 3.14Å; F107-V110 WeakPolarHBondContact O-CB 3.02Å; F107-V110 PolarHBondContact O-N 3.24Å; M108-V110 PolarHBondContact O-N 3.38Å; V110-E112 VanDerWaalsContact C-N 3.31Å; V110-W114 WeakPolarHBondContact O-CB 3.39Å; V110-W114 PolarHBondContact O-N 3.27Å
111I92.1Very high89.9Confident17 Ų1766.1 Ų66.19%0.08734%0.341CS..Hα-helixtrans-65.6-38.9176.6-57.7-50.4000110.3L85 F107 M108 W114 G115 F124L85-I111 HydrophobicContact CD1-CD1 3.76Å; L85-I111 HydrophobicContact CD2-CD1 4.11Å; L85-I111 HydrophobicContact CG-CD1 4.4Å; F107-I111 HydrophobicContact CD1-CG1 4.48Å; F107-I111 HydrophobicContact CD2-CG1 4.5Å; F107-I111 HydrophobicContact CE1-CG1 4.08Å; F107-I111 HydrophobicContact CE2-CD1 3.92Å; F107-I111 HydrophobicContact CE2-CG1 4.13Å; F107-I111 HydrophobicContact CZ-CD1 3.97Å; F107-I111 HydrophobicContact CZ-CG1 3.91Å; F107-I111 WeakPolarHBondContact O-CG1 3.25Å; F107-I111 PolarHBondContact O-N 2.72Å; M108-I111 PolarHBondContact O-N 2.94Å; M108-I111 VanDerWaalsContact O-N 3.15Å; I111-W114 HydrophobicContact CG2-CE3 4.41Å; I111-W114 PolarHBondContact O-N 3.17Å; I111-G115 PolarHBondContact O-N 3.23Å; I111-F124 HydrophobicContact CB-CE2 3.93Å; I111-F124 HydrophobicContact CB-CZ 4.34Å; I111-F124 HydrophobicContact CG2-CE2 3.72Å; I111-F124 HydrophobicContact CG2-CZ 4.27Å
112E92.2Very high89.6Confident75 Ų7559.7 Ų59.735%0.3532%0.318SS..Hα-helixtrans-63.4-47.8177.5-175.6169.7-169.700111.6M108 D109 V110 W114 G115 H116 F124M108-E112 WeakPolarHBondContact O-CB 3.45Å; M108-E112 PolarHBondContact O-N 2.83Å; D109-E112 PolarHBondContact O-N 3.39Å; V110-E112 VanDerWaalsContact C-N 3.31Å; E112-W114 PolarHBondContact O-N 3.08Å; E112-G115 CarbonylContact O-C 3.58Å; E112-G115 WeakPolarHBondContact O-CA 3.33Å; E112-G115 PolarHBondContact O-N 3.37Å; E112-G115 VanDerWaalsContact O-N 3.12Å; E112-H116 PolarHBondContact O-CD2 3.48Å; E112-H116 PolarHBondContact O-N 2.82Å; E112-H116 IonicContact OE1-NE2 3.44Å; E112-F124 HydrophobicContact CB-CD2 3.66Å; E112-F124 HydrophobicContact CB-CE2 3.94Å; E112-F124 HydrophobicContact CB-CG 4.41Å; E112-F124 HydrophobicContact CG-CB 4.36Å; E112-F124 HydrophobicContact CG-CD2 4.03Å; E112-F124 HydrophobicContact CG-CG 4.45Å
113L91.2Very high89.7Confident111 Ų11163.5 Ų63.558%0.58133%0.328SS*.Hα-helixtrans-60.3-45.3176.1-179.961.9000112D109 G115 H116 H117D109-L113 WeakPolarHBondContact O-CB 3.12Å; D109-L113 PolarHBondContact O-N 2.79Å; L113-G115 VanDerWaalsContact C-N 3.29Å; L113-G115 PolarHBondContact O-N 2.88Å; L113-H116 PolarHBondContact O-N 2.94Å; L113-H117 PolarHBondContact O-N 3.23Å
114W91.8Very high90Very high4 Ų461.7 Ų61.72%0.01532%0.322CS..Hα-helixtrans-61.8-40.1174.5170.479.9000111.6L76 S80 G81 L85 V110 I111 E112 H117 M118 L131L76-W114 HydrophobicContact CD1-CH2 3.72Å; L76-W114 HydrophobicContact CD1-CZ2 4.01Å; S80-W114 PolarHBondContact O-NE1 2.9Å; G81-W114 PolarHBondContact O-NE1 3.46Å; L85-W114 HydrophobicContact CB-CD2 4.29Å; L85-W114 HydrophobicContact CB-CG 4.33Å; L85-W114 HydrophobicContact CB-CZ2 4.44Å; L85-W114 HydrophobicContact CD1-CB 3.88Å; L85-W114 HydrophobicContact CD1-CD2 3.91Å; L85-W114 HydrophobicContact CD1-CE3 4.33Å; L85-W114 HydrophobicContact CD1-CG 3.68Å; L85-W114 HydrophobicContact CD2-CD2 4.01Å; L85-W114 HydrophobicContact CD2-CE3 4Å; L85-W114 HydrophobicContact CD2-CH2 4.15Å; L85-W114 HydrophobicContact CD2-CZ2 4.17Å; L85-W114 HydrophobicContact CD2-CZ3 4.06Å; L85-W114 HydrophobicContact CG-CD2 4.3Å; L85-W114 HydrophobicContact CG-CG 4.43Å; V110-W114 WeakPolarHBondContact O-CB 3.39Å; V110-W114 PolarHBondContact O-N 3.27Å; I111-W114 HydrophobicContact CG2-CE3 4.41Å; I111-W114 PolarHBondContact O-N 3.17Å; E112-W114 PolarHBondContact O-N 3.08Å; W114-H117 WeakPolarHBondContact O-CB 3.11Å; W114-H117 PolarHBondContact O-N 2.84Å; W114-M118 HydrophobicContact CD2-CG 4.47Å; W114-M118 HydrophobicContact CZ2-CE 3.92Å; W114-M118 HydrophobicContact CZ2-CG 4.29Å; W114-M118 WeakPolarHBondContact O-CG 3.47Å; W114-M118 PolarHBondContact O-N 3.29Å; W114-M118 VanDerWaalsContact O-N 3.1Å; W114-L131 HydrophobicContact CH2-CD1 4.34Å; W114-L131 HydrophobicContact CH2-CD2 3.98Å; W114-L131 HydrophobicContact CZ3-CD1 3.82Å; W114-L131 HydrophobicContact CZ3-CD2 4.29Å
115G91.6Very high90.2Very high3 Ų363.2 Ų63.23%0.03133%0.331CS..Hα-helixtrans-57.5-47.317400000113.1I111 E112 L113 H117 M118 F119 L127I111-G115 PolarHBondContact O-N 3.23Å; E112-G115 CarbonylContact O-C 3.58Å; E112-G115 WeakPolarHBondContact O-CA 3.33Å; E112-G115 PolarHBondContact O-N 3.37Å; E112-G115 VanDerWaalsContact O-N 3.12Å; L113-G115 VanDerWaalsContact C-N 3.29Å; L113-G115 PolarHBondContact O-N 2.88Å; G115-H117 PolarHBondContact O-N 3.25Å; G115-M118 WeakPolarHBondContact O-CB 2.82Å; G115-M118 PolarHBondContact O-N 2.88Å; G115-M118 VanDerWaalsContact O-N 3.16Å; G115-F119 PolarHBondContact O-N 3.02Å; G115-L127 VanDerWaalsContact CA-CD2 3.42Å
116H90.4Very high90.3Very high79 Ų7962.4 Ų62.437%0.36633%0.327SS..Hα-helixtrans-64.4-37.1176.1-78.7-63.7000112.9E112 L113 M118 P120E112-H116 PolarHBondContact O-CD2 3.48Å; E112-H116 PolarHBondContact O-N 2.82Å; E112-H116 IonicContact OE1-NE2 3.44Å; L113-H116 PolarHBondContact O-N 2.94Å; H116-M118 PolarHBondContact O-N 3.17Å; H116-P120 WeakPolarHBondContact O-CA 3.36Å; H116-P120 WeakPolarHBondContact O-CD 3.48Å; H116-P120 WeakPolarHBondContact O-CG 3.34Å
117H88.5Confident90.4Very high117 Ų11761.3 Ų61.354%0.54232%0.317SS..Hα-helixtrans-63-33.1174.5-178.8-120.1000112S80 L113 W114 G115S80-H117 PolarHBondContact OG-CE1 2.97Å; S80-H117 PolarHBondContact OG-ND1 3.3Å; L113-H117 PolarHBondContact O-N 3.23Å; W114-H117 WeakPolarHBondContact O-CB 3.11Å; W114-H117 PolarHBondContact O-N 2.84Å; G115-H117 PolarHBondContact O-N 3.25Å
118M88.2Confident90.6Very high4 Ų461.3 Ų61.32%0.0232%0.32CS..Hα-helixtrans-80.3-50178.2-71.8-63.3-13500113R75 S80 W114 G115 H116R75-M118 HydrophobicContact CG-SD 4.43Å; S80-M118 WeakPolarHBondContact O-CE 3.37Å; W114-M118 HydrophobicContact CD2-CG 4.47Å; W114-M118 HydrophobicContact CZ2-CE 3.92Å; W114-M118 HydrophobicContact CZ2-CG 4.29Å; W114-M118 WeakPolarHBondContact O-CG 3.47Å; W114-M118 PolarHBondContact O-N 3.29Å; W114-M118 VanDerWaalsContact O-N 3.1Å; G115-M118 WeakPolarHBondContact O-CB 2.82Å; G115-M118 PolarHBondContact O-N 2.88Å; G115-M118 VanDerWaalsContact O-N 3.16Å; H116-M118 PolarHBondContact O-N 3.17Å
119F87.3Confident90.8Very high13 Ų1365.1 Ų65.16%0.05733%0.331CS..  trans-139.585.4-173.6-62-69.7000110.6P69 K70 L71 R75 G115 C121 L122 L127P69-F119 HydrophobicContact CB-CE1 4.19Å; P69-F119 WeakPolarHBondContact O-CD1 3.39Å; P69-F119 WeakPolarHBondContact O-CE1 3.29Å; K70-F119 WeakPolarHBondContact O-CE1 3.48Å; K70-F119 VanDerWaalsContact O-CZ 3.23Å; K70-F119 WeakPolarHBondContact O-CZ 3.14Å; L71-F119 VanDerWaalsContact CA-CE2 3.45Å; L71-F119 HydrophobicContact CB-CD1 4.18Å; L71-F119 HydrophobicContact CB-CD2 3.55Å; L71-F119 HydrophobicContact CB-CE1 3.96Å; L71-F119 HydrophobicContact CB-CE2 3.27Å; L71-F119 HydrophobicContact CB-CG 4.02Å; L71-F119 HydrophobicContact CB-CZ 3.5Å; L71-F119 VanDerWaalsContact CB-CZ 3.5Å; L71-F119 HydrophobicContact CD1-CD2 3.95Å; L71-F119 HydrophobicContact CD1-CE2 3.21Å; L71-F119 HydrophobicContact CD1-CZ 3.91Å; L71-F119 HydrophobicContact CD2-CD2 3.9Å; L71-F119 HydrophobicContact CD2-CE2 4.02Å; L71-F119 HydrophobicContact CG-CD2 3.93Å; L71-F119 HydrophobicContact CG-CE2 3.57Å; L71-F119 HydrophobicContact CG-CZ 4.19Å; R75-F119 HydrophobicContact CB-CZ 4.24Å; R75-F119 HydrophobicContact CG-CE1 4.48Å; R75-F119 HydrophobicContact CG-CE2 4.27Å; R75-F119 HydrophobicContact CG-CZ 3.58Å; G115-F119 PolarHBondContact O-N 3.02Å; F119-C121 PolarHBondContact O-N 3.45Å; F119-L122 HydrophobicContact CB-CB 3.95Å; F119-L122 HydrophobicContact CB-CD2 4.38Å; F119-L122 PolarHBondContact O-N 3.48Å; F119-L122 VanDerWaalsContact O-N 3.12Å; F119-L127 HydrophobicContact CD2-CD1 4.4Å
120P85.3Confident90.8Very high97 Ų9766.9 Ų66.963%0.6333%0.332SS*.THydrogen-bonded Turntrans-58.8-25.4-174.4-25.532.3000114.7H116H116-P120 WeakPolarHBondContact O-CA 3.36Å; H116-P120 WeakPolarHBondContact O-CD 3.48Å; H116-P120 WeakPolarHBondContact O-CG 3.34Å
121C84.7Confident91Very high103 Ų10367.4 Ų67.470%0.69633%0.334SS*.THydrogen-bonded Turntrans-91.3-1.4-175.1-54.50000114.2F119F119-C121 PolarHBondContact O-N 3.45Å
122L87Confident91.1Very high28 Ų2872.4 Ų72.415%0.14736%0.357CS..SBendtrans-98.9136.8-174.9-160.164.3000109.9F119 D126 L127F119-L122 HydrophobicContact CB-CB 3.95Å; F119-L122 HydrophobicContact CB-CD2 4.38Å; F119-L122 PolarHBondContact O-N 3.48Å; F119-L122 VanDerWaalsContact O-N 3.12Å; L122-D126 HydrophobicContact CD1-CB 3.42Å; L122-D126 VanDerWaalsContact CD1-CB 3.42Å; L122-D126 HydrophobicContact CD2-CB 4.47Å; L122-D126 HydrophobicContact CG-CB 3.71Å; L122-L127 VanDerWaalsContact CD2-CA 3.41Å; L122-L127 HydrophobicContact CD2-CB 3.85Å; L122-L127 HydrophobicContact CD2-CD1 4Å; L122-L127 HydrophobicContact CG-CB 4.34Å
123K92Very high91.2Very high152 Ų15272.1 Ų72.166%0.66136%0.36SS*.  trans-72.3158.8169.9-64.1179.4180173.80110D125 D126 L127K123-D125 PolarHBondContact O-N 3.12Å; K123-D126 HydrophobicContact CB-CB 4.49Å; K123-D126 PolarHBondContact O-N 3.29Å; K123-L127 WeakPolarHBondContact O-CB 3.46Å; K123-L127 PolarHBondContact O-N 2.94Å
124F93.3Very high91.3Very high35 Ų3567.2 Ų67.215%0.15434%0.335CS..Hα-helixtrans-57.8-45.5179-174.8-111.7000112.9M108 I111 E112 D126 L127 L128M108-F124 HydrophobicContact SD-CE1 4.07Å; M108-F124 HydrophobicContact SD-CZ 3.85Å; I111-F124 HydrophobicContact CB-CE2 3.93Å; I111-F124 HydrophobicContact CB-CZ 4.34Å; I111-F124 HydrophobicContact CG2-CE2 3.72Å; I111-F124 HydrophobicContact CG2-CZ 4.27Å; E112-F124 HydrophobicContact CB-CD2 3.66Å; E112-F124 HydrophobicContact CB-CE2 3.94Å; E112-F124 HydrophobicContact CB-CG 4.41Å; E112-F124 HydrophobicContact CG-CB 4.36Å; E112-F124 HydrophobicContact CG-CD2 4.03Å; E112-F124 HydrophobicContact CG-CG 4.45Å; F124-D126 VanDerWaalsContact C-N 3.33Å; F124-D126 PolarHBondContact O-N 3.21Å; F124-L127 HydrophobicContact CD2-CD2 4.34Å; F124-L127 VanDerWaalsContact O-CB 3.31Å; F124-L127 WeakPolarHBondContact O-CB 3.33Å; F124-L127 PolarHBondContact O-N 3.44Å; F124-L127 VanDerWaalsContact O-N 3.15Å; F124-L128 HydrophobicContact CD1-CD1 4.01Å; F124-L128 HydrophobicContact CD1-CG 4.49Å; F124-L128 HydrophobicContact CE1-CD1 3.51Å; F124-L128 HydrophobicContact CE1-CG 4.16Å; F124-L128 HydrophobicContact CE2-CD2 4.45Å; F124-L128 HydrophobicContact CE2-CG 4.45Å; F124-L128 HydrophobicContact CZ-CD1 3.85Å; F124-L128 HydrophobicContact CZ-CD2 4.19Å; F124-L128 HydrophobicContact CZ-CG 4.14Å; F124-L128 PolarHBondContact O-N 2.96Å
125D94.5Very high91.3Very high120 Ų12068.3 Ų68.364%0.64235%0.347SS*.Hα-helixtrans-60.6-42.5177.6-58.4-46.4000112.2K123 L127 L128 Y129K123-D125 PolarHBondContact O-N 3.12Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.21Å; D125-L128 PolarHBondContact O-N 3.3Å; D125-Y129 PolarHBondContact O-N 3.45Å
126D93.5Very high91.4Very high78 Ų7874.1 Ų74.142%0.41737%0.373SS..Hα-helixtrans-68.8-32.5178.3-66.4-38.8000111.9L122 K123 F124 R130L122-D126 HydrophobicContact CD1-CB 3.42Å; L122-D126 VanDerWaalsContact CD1-CB 3.42Å; L122-D126 HydrophobicContact CD2-CB 4.47Å; L122-D126 HydrophobicContact CG-CB 3.71Å; K123-D126 HydrophobicContact CB-CB 4.49Å; K123-D126 PolarHBondContact O-N 3.29Å; F124-D126 VanDerWaalsContact C-N 3.33Å; F124-D126 PolarHBondContact O-N 3.21Å; D126-R130 WeakPolarHBondContact O-CB 3.02Å; D126-R130 WeakPolarHBondContact O-CG 3.29Å; D126-R130 PolarHBondContact O-N 3.19Å; D126-R130 VanDerWaalsContact O-N 3.07Å
127L92.8Very high91.6Very high4 Ų474.1 Ų74.12%0.02137%0.372CS..Hα-helixtrans-62.8-50.7173179.384000110.3L71 G115 F119 L122 K123 F124 D125 Y129 R130 L131L71-L127 HydrophobicContact CD2-CD1 3.84Å; G115-L127 VanDerWaalsContact CA-CD2 3.42Å; F119-L127 HydrophobicContact CD2-CD1 4.4Å; L122-L127 VanDerWaalsContact CD2-CA 3.41Å; L122-L127 HydrophobicContact CD2-CB 3.85Å; L122-L127 HydrophobicContact CD2-CD1 4Å; L122-L127 HydrophobicContact CG-CB 4.34Å; K123-L127 WeakPolarHBondContact O-CB 3.46Å; K123-L127 PolarHBondContact O-N 2.94Å; F124-L127 HydrophobicContact CD2-CD2 4.34Å; F124-L127 VanDerWaalsContact O-CB 3.31Å; F124-L127 WeakPolarHBondContact O-CB 3.33Å; F124-L127 PolarHBondContact O-N 3.44Å; F124-L127 VanDerWaalsContact O-N 3.15Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.21Å; L127-Y129 PolarHBondContact O-N 3.12Å; L127-R130 PolarHBondContact O-N 3.21Å; L127-L131 HydrophobicContact CD2-CD1 4.31Å; L127-L131 HydrophobicContact CG-CD1 3.94Å; L127-L131 HydrophobicContact CG-CG 4.48Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 2.94Å
128L94Very high91.8Very high74 Ų7477.4 Ų77.439%0.38739%0.385SS..Hα-helixtrans-59.6-46.7179.2-68.9-179.5000111.5F124 D125 R130 L131 E132F124-L128 HydrophobicContact CD1-CD1 4.01Å; F124-L128 HydrophobicContact CD1-CG 4.49Å; F124-L128 HydrophobicContact CE1-CD1 3.51Å; F124-L128 HydrophobicContact CE1-CG 4.16Å; F124-L128 HydrophobicContact CE2-CD2 4.45Å; F124-L128 HydrophobicContact CE2-CG 4.45Å; F124-L128 HydrophobicContact CZ-CD1 3.85Å; F124-L128 HydrophobicContact CZ-CD2 4.19Å; F124-L128 HydrophobicContact CZ-CG 4.14Å; F124-L128 PolarHBondContact O-N 2.96Å; D125-L128 PolarHBondContact O-N 3.3Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 2.94Å; L128-L131 PolarHBondContact O-N 3.16Å; L128-L131 VanDerWaalsContact O-N 3.16Å; L128-E132 PolarHBondContact O-N 3.29Å
129Y94.3Very high92Very high153 Ų15379.7 Ų79.760%0.640%0.404SS*.Hα-helixtrans-57.6-43.6176.1179-102.7000112.2D125 L127 E132 V133D125-Y129 PolarHBondContact O-N 3.45Å; L127-Y129 PolarHBondContact O-N 3.12Å; Y129-E132 PolarHBondContact O-N 2.67Å; Y129-V133 HydrophobicContact CE1-CG2 4.18Å; Y129-V133 WeakPolarHBondContact O-CG2 3.23Å; Y129-V133 PolarHBondContact O-N 3.12Å; Y129-V133 VanDerWaalsContact O-N 3.13Å
130R92.5Very high92.2Very high115 Ų11579.2 Ų79.243%0.43440%0.402SS..Hα-helixtrans-67.8-37.6177-74.8-171.7-171-122.61.1112.9L71 D126 L127 L128 E132 V133 L134L71-R130 HydrophobicContact CD2-CB 3.81Å; L71-R130 HydrophobicContact CG-CB 4.46Å; D126-R130 WeakPolarHBondContact O-CB 3.02Å; D126-R130 WeakPolarHBondContact O-CG 3.29Å; D126-R130 PolarHBondContact O-N 3.19Å; D126-R130 VanDerWaalsContact O-N 3.07Å; L127-R130 PolarHBondContact O-N 3.21Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 2.94Å; R130-E132 VanDerWaalsContact C-N 3.33Å; R130-V133 PolarHBondContact O-N 3.28Å; R130-L134 WeakPolarHBondContact O-CB 3.17Å; R130-L134 WeakPolarHBondContact O-CG 3.36Å; R130-L134 PolarHBondContact O-N 2.86Å
131L93.4Very high92.6Very high34 Ų3479.3 Ų79.318%0.17839%0.393CS..Hα-helixtrans-63.6-40.2176-73.4168.5000111.2L71 L76 W114 L127 L128 L134 G135L71-L131 HydrophobicContact CD2-CD2 4.27Å; L71-L131 HydrophobicContact CD2-CG 4.32Å; L76-L131 HydrophobicContact CD1-CD2 3.56Å; L76-L131 HydrophobicContact CD2-CD2 4.04Å; L76-L131 HydrophobicContact CG-CD2 4.46Å; W114-L131 HydrophobicContact CH2-CD1 4.34Å; W114-L131 HydrophobicContact CH2-CD2 3.98Å; W114-L131 HydrophobicContact CZ3-CD1 3.82Å; W114-L131 HydrophobicContact CZ3-CD2 4.29Å; L127-L131 HydrophobicContact CD2-CD1 4.31Å; L127-L131 HydrophobicContact CG-CD1 3.94Å; L127-L131 HydrophobicContact CG-CG 4.48Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 2.94Å; L128-L131 PolarHBondContact O-N 3.16Å; L128-L131 VanDerWaalsContact O-N 3.16Å; L131-L134 PolarHBondContact O-N 3.04Å; L131-G135 PolarHBondContact O-N 3.34Å
132E94.3Very high93Very high121 Ų12182 Ų8257%0.56539%0.388SS*.Hα-helixtrans-58.6-50.8173.3-175.5-178.7-177.200110.8L128 Y129 R130 L134 G135 H136L128-E132 PolarHBondContact O-N 3.29Å; Y129-E132 PolarHBondContact O-N 2.67Å; R130-E132 VanDerWaalsContact C-N 3.33Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 2.94Å; E132-G135 PolarHBondContact O-N 2.88Å; E132-H136 PolarHBondContact O-N 3.25Å; E132-H136 PolarHBondContact O-ND1 3.15Å
133V93.9Very high93.2Very high70 Ų7081.7 Ų81.742%0.42439%0.385SS..Hα-helixtrans-60.2-41.3178174.50000111.8Y129 R130Y129-V133 HydrophobicContact CE1-CG2 4.18Å; Y129-V133 WeakPolarHBondContact O-CG2 3.23Å; Y129-V133 PolarHBondContact O-N 3.12Å; Y129-V133 VanDerWaalsContact O-N 3.13Å; R130-V133 PolarHBondContact O-N 3.28Å
134L93.4Very high93.2Very high8 Ų878.1 Ų78.14%0.04237%0.373CS..Hα-helixtrans-70.9-33.6177.5-72.7-179.4000113.1L71 E73 L76 R130 L131 E132 H136 K137 V140L71-L134 HydrophobicContact CB-CD1 4.5Å; L71-L134 HydrophobicContact CD1-CD1 3.63Å; L71-L134 HydrophobicContact CD2-CD1 4.4Å; L71-L134 HydrophobicContact CG-CD1 3.52Å; E73-L134 HydrophobicContact CG-CD2 3.9Å; L76-L134 HydrophobicContact CB-CD1 4.48Å; L76-L134 HydrophobicContact CD2-CB 4.04Å; L76-L134 HydrophobicContact CD2-CD1 4.05Å; R130-L134 WeakPolarHBondContact O-CB 3.17Å; R130-L134 WeakPolarHBondContact O-CG 3.36Å; R130-L134 PolarHBondContact O-N 2.86Å; L131-L134 PolarHBondContact O-N 3.04Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 2.94Å; L134-H136 PolarHBondContact O-N 3.08Å; L134-K137 HydrophobicContact CD2-CD 3.95Å; L134-K137 VanDerWaalsContact O-CB 3.32Å; L134-K137 WeakPolarHBondContact O-CB 3.43Å; L134-K137 PolarHBondContact O-N 3.37Å; L134-K137 VanDerWaalsContact O-N 3.07Å; L134-V140 WeakPolarHBondContact O-CB 3.49Å; L134-V140 WeakPolarHBondContact O-CG2 3.45Å
135G92.4Very high93.1Very high26 Ų2681.7 Ų81.727%0.26839%0.39SS..Hα-helixtrans-63.9-26177.700000113.2L131 E132 K137 K141L131-G135 PolarHBondContact O-N 3.34Å; E132-G135 PolarHBondContact O-N 2.88Å; G135-K137 PolarHBondContact O-N 3.19Å; G135-K141 WeakPolarHBondContact O-CE 3.38Å; G135-K141 WeakPolarHBondContact O-CG 3.47Å
136H93.4Very high92.9Very high125 Ų12579.3 Ų79.358%0.57938%0.375SS*.THydrogen-bonded Turntrans-72.2-17.6174.6-73.385.3000113.5E132 L134 K141E132-H136 PolarHBondContact O-N 3.25Å; E132-H136 PolarHBondContact O-ND1 3.15Å; L134-H136 PolarHBondContact O-N 3.08Å; H136-K141 WeakPolarHBondContact O-CE 3.33Å
137K94.8Very high92.5Very high79 Ų7977.7 Ų77.734%0.34337%0.365SS..SBendtrans-77.5138.3-175.6-62.7-174.2167.9-176.50112.1E73 L134 G135 A139 V140 K141E73-K137 HydrophobicContact CG-CB 4.39Å; E73-K137 HydrophobicContact CG-CD 3.46Å; E73-K137 VanDerWaalsContact CG-CD 3.46Å; E73-K137 WeakPolarHBondContact OE1-CD 3.42Å; E73-K137 WeakPolarHBondContact OE1-CE 3.47Å; E73-K137 IonicContact OE1-NZ 3.6Å; E73-K137 PolarHBondContact OE1-NZ 3.29Å; L134-K137 HydrophobicContact CD2-CD 3.95Å; L134-K137 VanDerWaalsContact O-CB 3.32Å; L134-K137 WeakPolarHBondContact O-CB 3.43Å; L134-K137 PolarHBondContact O-N 3.37Å; L134-K137 VanDerWaalsContact O-N 3.07Å; G135-K137 PolarHBondContact O-N 3.19Å; K137-A139 VanDerWaalsContact C-N 3.28Å; K137-A139 PolarHBondContact O-N 3.46Å; K137-V140 PolarHBondContact O-N 2.94Å; K137-V140 VanDerWaalsContact O-N 3.12Å; K137-K141 PolarHBondContact O-N 3.1Å
138K93.2Very high92.3Very high187 Ų18788.6 Ų88.681%0.81341%0.406SS*.Hα-helixtrans-56.2-37.6-176.6-67.6-175.5178.1-179.30113.5K141 R142K138-K141 PolarHBondContact O-N 3.28Å; K138-R142 WeakPolarHBondContact O-CB 3.37Å; K138-R142 PolarHBondContact O-N 3.27Å
139A91.3Very high92Very high52 Ų5291 Ų9143%0.4342%0.416SS..Hα-helixtrans-64.5-40.4179.800000112.4E73 K137 Y143E73-A139 WeakPolarHBondContact OE2-CB 3.47Å; K137-A139 VanDerWaalsContact C-N 3.28Å; K137-A139 PolarHBondContact O-N 3.46Å; A139-Y143 VanDerWaalsContact O-CB 3.29Å; A139-Y143 WeakPolarHBondContact O-CB 3.45Å; A139-Y143 PolarHBondContact O-N 3.28Å; A139-Y143 VanDerWaalsContact O-N 3.12Å
140V92.7Very high91.4Very high2 Ų286.1 Ų86.11%0.01241%0.412CS..Hα-helixtrans-73.1-41.3177.4-179.10000110.4E73 L76 T77 L134 K137 Y143 L144E73-V140 HydrophobicContact CB-CG2 4.15Å; E73-V140 HydrophobicContact CG-CG2 4.07Å; L76-V140 HydrophobicContact CD2-CG1 4.06Å; L76-V140 HydrophobicContact CD2-CG2 4.28Å; T77-V140 HydrophobicContact CG2-CG2 4.38Å; L134-V140 WeakPolarHBondContact O-CB 3.49Å; L134-V140 WeakPolarHBondContact O-CG2 3.45Å; K137-V140 PolarHBondContact O-N 2.94Å; K137-V140 VanDerWaalsContact O-N 3.12Å; V140-Y143 WeakPolarHBondContact O-CB 3.32Å; V140-Y143 PolarHBondContact O-N 2.97Å; V140-L144 HydrophobicContact CG1-CD1 4.15Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 WeakPolarHBondContact O-CG 3.39Å; V140-L144 PolarHBondContact O-N 3.1Å
141K93.7Very high90.4Very high100 Ų10086.1 Ų86.144%0.43542%0.419SS..Hα-helixtrans-57.3-51.7174.5-70.2-174.9175.3-177.20112.3G135 H136 K137 K138 Y143 L144 E145G135-K141 WeakPolarHBondContact O-CE 3.38Å; G135-K141 WeakPolarHBondContact O-CG 3.47Å; H136-K141 WeakPolarHBondContact O-CE 3.33Å; K137-K141 PolarHBondContact O-N 3.1Å; K138-K141 PolarHBondContact O-N 3.28Å; K141-Y143 PolarHBondContact O-N 2.89Å; K141-L144 PolarHBondContact O-N 3.02Å; K141-L144 VanDerWaalsContact O-N 3.1Å; K141-E145 WeakPolarHBondContact O-CG 3.34Å; K141-E145 PolarHBondContact O-N 3.39Å
142R92.3Very high89Confident159 Ų15987.4 Ų87.460%0.642%0.423SS*.Hα-helixtrans-59-38177-172.9175.3-172.91755.5112.1K138 E145 H146K138-R142 WeakPolarHBondContact O-CB 3.37Å; K138-R142 PolarHBondContact O-N 3.27Å; R142-E145 PolarHBondContact O-N 2.9Å; R142-H146 VanDerWaalsContact O-CG 3.23Å; R142-H146 PolarHBondContact O-N 3.12Å
143Y91.5Very high87.1Confident21 Ų2187.5 Ų87.58%0.08243%0.428CS..Hα-helixtrans-65.6-42.6176179.7-93.2000112.6T77 L82 P83 A139 V140 K141 H146 M147 F152T77-Y143 HydrophobicContact CG2-CD1 3.7Å; T77-Y143 HydrophobicContact CG2-CD2 3.87Å; T77-Y143 HydrophobicContact CG2-CE1 4.15Å; T77-Y143 HydrophobicContact CG2-CE2 4.29Å; T77-Y143 HydrophobicContact CG2-CG 3.52Å; T77-Y143 WeakPolarHBondContact O-CE2 3.34Å; T77-Y143 PolarHBondContact O-OH 2.88Å; L82-Y143 HydrophobicContact CB-CE1 4.11Å; L82-Y143 HydrophobicContact CD1-CD1 4Å; L82-Y143 HydrophobicContact CD1-CE1 3.88Å; P83-Y143 WeakPolarHBondContact CD-OH 3.1Å; P83-Y143 WeakPolarHBondContact CG-OH 3.49Å; A139-Y143 VanDerWaalsContact O-CB 3.29Å; A139-Y143 WeakPolarHBondContact O-CB 3.45Å; A139-Y143 PolarHBondContact O-N 3.28Å; A139-Y143 VanDerWaalsContact O-N 3.12Å; V140-Y143 WeakPolarHBondContact O-CB 3.32Å; V140-Y143 PolarHBondContact O-N 2.97Å; K141-Y143 PolarHBondContact O-N 2.89Å; Y143-H146 PolarHBondContact O-N 2.85Å; Y143-M147 HydrophobicContact CD1-CE 4.18Å; Y143-M147 HydrophobicContact CE1-CE 3.36Å; Y143-M147 WeakPolarHBondContact O-CB 3.45Å; Y143-M147 PolarHBondContact O-N 3.28Å; Y143-F152 HydrophobicContact CD2-CE2 4.19Å; Y143-F152 HydrophobicContact CE2-CD2 4.23Å; Y143-F152 AromaticContact CE2-CE2 3.33Å; Y143-F152 HydrophobicContact CE2-CE2 3.33Å; Y143-F152 AromaticContact CE2-CZ 3.75Å; Y143-F152 HydrophobicContact CE2-CZ 3.75Å; Y143-F152 AromaticContact CZ-CE2 3.8Å; Y143-F152 AromaticContact CZ-CZ 3.87Å; Y143-F152 WeakPolarHBondContact OH-CZ 3.21Å
144L91.9Very high85.1Confident77 Ų7792.8 Ų92.840%0.40345%0.445SS..Hα-helixtrans-65.7-38.8175-71.1171.3000112L82 V140 K141 M147 R148L82-L144 HydrophobicContact CD1-CD2 3.84Å; L82-L144 HydrophobicContact CD1-CG 4.5Å; V140-L144 HydrophobicContact CG1-CD1 4.15Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 WeakPolarHBondContact O-CG 3.39Å; V140-L144 PolarHBondContact O-N 3.1Å; K141-L144 PolarHBondContact O-N 3.02Å; K141-L144 VanDerWaalsContact O-N 3.1Å; L144-M147 WeakPolarHBondContact O-CB 2.96Å; L144-M147 PolarHBondContact O-N 2.97Å; L144-R148 WeakPolarHBondContact O-CB 3.49Å; L144-R148 PolarHBondContact O-N 3.42Å
145E91.5Very high82.8Confident111 Ų11196.9 Ų96.952%0.51947%0.474SS..Hα-helixtrans-59.1-51.8172.8-73165.5-177.700110.9K141 R142 M147 R148 E149K141-E145 WeakPolarHBondContact O-CG 3.34Å; K141-E145 PolarHBondContact O-N 3.39Å; R142-E145 PolarHBondContact O-N 2.9Å; E145-M147 VanDerWaalsContact C-N 3.25Å; E145-M147 PolarHBondContact O-N 3.07Å; E145-R148 PolarHBondContact O-N 2.85Å; E145-R148 VanDerWaalsContact O-N 3.1Å; E145-E149 WeakPolarHBondContact O-CG 3.37Å; E145-E149 PolarHBondContact O-N 3.33Å
146H89.2Confident80.7Confident70 Ų7097.3 Ų97.332%0.32447%0.472SS..Hα-helixtrans-60.4-34176.1-65169.8000113R142 Y143 G150 I151R142-H146 VanDerWaalsContact O-CG 3.23Å; R142-H146 PolarHBondContact O-N 3.12Å; Y143-H146 PolarHBondContact O-N 2.85Å; H146-G150 PolarHBondContact O-N 3.18Å; H146-I151 PolarHBondContact O-N 2.99Å
147M86.8Confident78.4Confident43 Ų4396.3 Ų96.321%0.21247%0.469CS..Hα-helixtrans-67.8-41.9175.5-174.8-178-65.900111.2L82 P83 L86 Y143 L144 E145 G150L82-M147 HydrophobicContact CB-CE 3.88Å; P83-M147 HydrophobicContact CG-CE 4.5Å; L86-M147 HydrophobicContact CD2-CG 4.38Å; L86-M147 HydrophobicContact CD2-SD 3.92Å; Y143-M147 HydrophobicContact CD1-CE 4.18Å; Y143-M147 HydrophobicContact CE1-CE 3.36Å; Y143-M147 WeakPolarHBondContact O-CB 3.45Å; Y143-M147 PolarHBondContact O-N 3.28Å; L144-M147 WeakPolarHBondContact O-CB 2.96Å; L144-M147 PolarHBondContact O-N 2.97Å; E145-M147 VanDerWaalsContact C-N 3.25Å; E145-M147 PolarHBondContact O-N 3.07Å; M147-G150 PolarHBondContact O-N 3.46Å
148R88.2Confident75.8Confident234 Ų23496.3 Ų96.388%0.88348%0.479SS*.Hα-helixtrans-67-37177.4-175.6-179.6179.2-174.20.6112.4L144 E145 G150L144-R148 WeakPolarHBondContact O-CB 3.49Å; L144-R148 PolarHBondContact O-N 3.42Å; E145-R148 PolarHBondContact O-N 2.85Å; E145-R148 VanDerWaalsContact O-N 3.1Å; R148-G150 PolarHBondContact O-N 3.21Å
149E88.3Confident73.5Confident124 Ų12490.4 Ų90.458%0.57947%0.465SS*.THydrogen-bonded Turntrans-71.8-7.8177.2-69.4170.7-179.700113.2E145 I151E145-E149 WeakPolarHBondContact O-CG 3.37Å; E145-E149 PolarHBondContact O-N 3.33Å; E149-I151 HydrophobicContact CB-CD1 3.95Å; E149-I151 HydrophobicContact CB-CG1 3.87Å; E149-I151 PolarHBondContact O-N 3.22Å; E149-I151 WeakPolarHBondContact OE2-CD1 3.5Å
150G81.6Confident71.5Confident51 Ų5192.9 Ų92.953%0.52647%0.468SS..THydrogen-bonded Turntrans70.69.9-178.100000113.8H146 M147 R148 F152H146-G150 PolarHBondContact O-N 3.18Å; M147-G150 PolarHBondContact O-N 3.46Å; R148-G150 PolarHBondContact O-N 3.21Å; G150-F152 PolarHBondContact O-N 2.94Å
151I71.6Confident69Low114 Ų114101.7 Ų101.759%0.58551%0.506SS*.  trans-69.5-11.2176.3-58.3177000110.8H146 E149 D153H146-I151 PolarHBondContact O-N 2.99Å; E149-I151 HydrophobicContact CB-CD1 3.95Å; E149-I151 HydrophobicContact CB-CG1 3.87Å; E149-I151 PolarHBondContact O-N 3.22Å; E149-I151 WeakPolarHBondContact OE2-CD1 3.5Å; I151-D153 PolarHBondContact O-N 3.37Å
152F62Low66.2Low61 Ų61101.8 Ų101.827%0.26852%0.515SS..  trans-78.153.2179.3-148.5-94000113.6P83 Y143 G150P83-F152 HydrophobicContact CB-CE1 4.29Å; P83-F152 HydrophobicContact CG-CE1 3.85Å; P83-F152 HydrophobicContact CG-CZ 4.07Å; Y143-F152 HydrophobicContact CD2-CE2 4.19Å; Y143-F152 HydrophobicContact CE2-CD2 4.23Å; Y143-F152 AromaticContact CE2-CE2 3.33Å; Y143-F152 HydrophobicContact CE2-CE2 3.33Å; Y143-F152 AromaticContact CE2-CZ 3.75Å; Y143-F152 HydrophobicContact CE2-CZ 3.75Å; Y143-F152 AromaticContact CZ-CE2 3.8Å; Y143-F152 AromaticContact CZ-CZ 3.87Å; Y143-F152 WeakPolarHBondContact OH-CZ 3.21Å; G150-F152 PolarHBondContact O-N 2.94Å
153D54.7Low63.7Low124 Ų124103.2 Ų103.266%0.66352%0.52SS*.SBendtrans-93.999.7161.7-93.4-34.1000109I151 C155I151-D153 PolarHBondContact O-N 3.37Å; D153-C155 VanDerWaalsContact C-N 3.28Å; D153-C155 PolarHBondContact O-N 2.9Å
154K52.9Low60.9Low181 Ų181107.6 Ų107.679%0.78756%0.555SS**SBendtrans70.8-12.9155.5-54.7174.3-175.31800118.6
155C44.5Very low58.3Low94 Ų94111.5 Ų111.564%0.63558%0.576SS**G310 helixtrans-82.2-23-170.5-144.20000115.7D153 M157 S158D153-C155 VanDerWaalsContact C-N 3.28Å; D153-C155 PolarHBondContact O-N 2.9Å; C155-M157 PolarHBondContact O-N 3.32Å; C155-M157 VanDerWaalsContact O-N 3.17Å; C155-S158 PolarHBondContact O-N 3.46Å; C155-S158 PolarHBondContact O-OG 3.16Å
156S49.5Very low56.3Low35 Ų35111.9 Ų111.925%0.24559%0.586CS.*G310 helixtrans-70.3-11.4-179.3-169.60000114.7S158S156-S158 VanDerWaalsContact C-N 3.27Å; S156-S158 PolarHBondContact O-N 3.5Å
157M44.5Very low54.1Low103 Ų103116 Ų11651%0.50761%0.61SS.*G310 helixtrans-72.8-20.7175.2-65.4-70.7133.900112.5T79 C155T79-M157 HydrophobicContact CG2-CE 3.47Å; T79-M157 VanDerWaalsContact CG2-CE 3.47Å; T79-M157 HydrophobicContact CG2-SD 3.25Å; T79-M157 WeakPolarHBondContact CG2-SD 3.2Å; C155-M157 PolarHBondContact O-N 3.32Å; C155-M157 VanDerWaalsContact O-N 3.17Å
158S39.2Very low51.9Low80 Ų80120.3 Ų120.356%0.55963%0.634SS**THydrogen-bonded Turntrans-91.9-21.6-175.970.10000114C155 S156 Q160C155-S158 PolarHBondContact O-N 3.46Å; C155-S158 PolarHBondContact O-OG 3.16Å; S156-S158 VanDerWaalsContact C-N 3.27Å; S156-S158 PolarHBondContact O-N 3.5Å; S158-Q160 PolarHBondContact O-N 2.8Å
159A45.5Very low49.9Very low62 Ų62113.3 Ų113.351%0.51262%0.62SS.*THydrogen-bonded Turntrans-80.2-10.3-170.900000114.9
160Q50.3Low47.8Very low104 Ų104118.7 Ų118.749%0.48664%0.635SS.*THydrogen-bonded Turntrans-93.8-1.2-178.2-63.2-163.5-69.300114.6R74 S158R74-Q160 PolarHBondContact O-NE2 3.37Å; S158-Q160 PolarHBondContact O-N 2.8Å
161K38.9Very low45.9Very low187 Ų187123.1 Ų123.181%0.81365%0.653SS**SBendtrans-94.10.9-173.7-164.9163.1177.9-171.50116
162T35.8Very low44.7Very low102 Ų102121.8 Ų121.863%0.62666%0.659SS**SBendtrans-133.922.7-169.265.60000116.8
163W39.2Very low44.1Very low189 Ų189125.9 Ų125.972%0.71668%0.682SS**  trans-13036.7179.5-6089.7000113.4
164S32.5Very low43.8Very low114 Ų114125.5 Ų125.580%0.79769%0.687SS**SBendtrans-100.9121.9158-41.50000105.3
165D36.7Very low43.3Very low158 Ų158123 Ų12385%0.84568%0.682SS**SBendtrans93.865.7-178.9-153.339.3000116.5
166V49.7Very low43.3Very low120 Ų120126.3 Ų126.373%0.72769%0.693SS**  trans-154.697.5142.7-122.50000108.6
167D43.7Very low43.1Very low157 Ų157133.3 Ų133.384%0.8472%0.716SS**  trans-82.2135.4156.2-172.823.5000107.9
168D41.2Very low43.2Very low133 Ų133137.2 Ų137.271%0.71173%0.733SS**SBendtrans65.7136.7164.5-151.67000121
169S46.3Very low43.6Very low86 Ų86142 Ų14260%0.60175%0.746SS**  trans87.293.3158.5-68.40000120.3
170R43.7Very low43.6Very low237 Ų237145.3 Ų145.389%0.89476%0.756SS**  trans68.182.3130.3-67173.2161.8-130.9-3.3117.1
171T42.1Very low43.3Very low145 Ų145147.5 Ų147.589%0.8977%0.77SS**  trans-88.499.8140.7-40.90000107.1L173T171-L173 PolarHBondContact O-N 3.1Å
172A44.8Very low43.5Very low86 Ų86145.4 Ų145.471%0.71177%0.767SS**  trans-57.1107.7168.100000108.7
173L50.2Low44Very low146 Ų146150.3 Ų150.376%0.76478%0.775SS**  trans-59.3131.3152.8-97.7149.4000107.1T171 D175T171-L173 PolarHBondContact O-N 3.1Å; L173-D175 VanDerWaalsContact C-N 3.28Å; L173-D175 PolarHBondContact O-N 3.23Å
174P47.9Very low43.7Very low117 Ų117146.1 Ų146.176%0.7677%0.774SS**  trans-69.398.1156.724.5-17.5000106.3D176P174-D176 PolarHBondContact O-N 3.32Å
175D42.2Very low44Very low129 Ų129145.8 Ų145.869%0.6977%0.772SS**  trans-65.885.2156.8-91.7-23.2000106.8L173 Y177L173-D175 VanDerWaalsContact C-N 3.28Å; L173-D175 PolarHBondContact O-N 3.23Å; D175-Y177 HydrophobicContact CB-CD1 4.05Å; D175-Y177 HydrophobicContact CB-CE1 4.34Å
176D44.7Very low44.3Very low162 Ų162143 Ų14387%0.86677%0.765SS**  trans-101.995151.5-129.7-12.1000105.5P174P174-D176 PolarHBondContact O-N 3.32Å
177Y47.2Very low44Very low182 Ų182141.9 Ų141.971%0.71476%0.762SS**  trans-101.3110.4169.655.7-81.3000106.3D175D175-Y177 HydrophobicContact CB-CD1 4.05Å; D175-Y177 HydrophobicContact CB-CE1 4.34Å
178E44.9Very low44.1Very low185 Ų185141.8 Ų141.886%0.86476%0.76SS**  trans-178.6161.2140.4-111.7-172.4171.300108.6
179E47.6Very low44.7Very low181 Ų181139.6 Ų139.685%0.84676%0.76SS**  trans90.278.8176.4-143.5160.2-151.200113.8
180N45.8Very low45Very low132 Ų132141.3 Ų141.371%0.70677%0.77SS**  48.6117.287.8-96.1-58000114
181L44.9Very low45Very low150 Ų150136.3 Ų136.379%0.78576%0.76SS**  trans75.4122138.3-69.4158.7000118.6
182D41.8Very low45.5Very low142 Ų142138 Ų13876%0.75976%0.756SS**  trans102.4107130.1-139.529000117.6
183W46.3Very low45.8Very low206 Ų206138.6 Ų138.678%0.7875%0.754SS**  52.7100.3123.3-168.6-92.5000117.9S185W183-S185 PolarHBondContact O-N 3.41Å; W183-S185 VanDerWaalsContact O-N 3.08Å
184S34.4Very low45.9Very low101 Ų101140.1 Ų140.171%0.70676%0.755SS**  29.376.4117.9-50.40000116.9
185S39Very low45.9Very low106 Ų106142.4 Ų142.474%0.74175%0.753SS**  trans-167.3123.5142.6-1570000112.2W183W183-S185 PolarHBondContact O-N 3.41Å; W183-S185 VanDerWaalsContact O-N 3.08Å
186S41.8Very low46.3Very low100 Ų100144.2 Ų144.270%0.69976%0.759SS**  trans37.1111.4145.1-106.70000118.9
187S43.3Very low46.3Very low96 Ų96143.6 Ų143.667%0.67176%0.756SS**  90.9118.488.7-69.70000114.3
188I46.6Very low46Very low155 Ų155139.5 Ų139.580%0.79576%0.759SS**  trans84.791140.9-54.7157.8000117.5
189A52.5Low46.2Very low87 Ų87136 Ų13672%0.71976%0.755SS**  62.1166.3114.200000120.7
190P52.5Low46Very low123 Ų123132.7 Ų132.780%0.79975%0.748SS**  -134.5-158.9-108.533.2-8000113.5
191D43.7Very low46.1Very low131 Ų131133.8 Ų133.870%0.70175%0.751SS**  trans100.5121154.3-164.831.8000118.6
192K53.4Low46Very low182 Ų182131.6 Ų131.679%0.79174%0.743SS**  171.5104.5120.6-88.6163.2-168.2-179.30114.8
193S52.2Low46.2Very low98 Ų98133 Ų13369%0.68575%0.75SS**  51.1121.2127.769.70000122.6
194K51.3Low45.8Very low177 Ų177130.3 Ų130.377%0.7775%0.751SS**  175.6110.8112.2-112.5164.6169.3167.90112.2
195K47.8Very low46.3Very low165 Ų165130.3 Ų130.372%0.71775%0.751SS**  80.9105.2101.9-69.6-170.1-169.7-169.20115.7
196M50Low46.6Very low167 Ų167130.6 Ų130.682%0.82375%0.753SS**  77.5126110.7-65.4172.991.200112.7
197N46.1Very low46.7Very low150 Ų150129.6 Ų129.680%0.80276%0.759SS**  -179.7119.958.441.1-4000108.8
198A39.9Very low46.8Very low95 Ų95136.7 Ų136.779%0.78577%0.771SS**  67.1107.984.700000117.7
199S50.1Low46.9Very low112 Ų112133.3 Ų133.378%0.78376%0.761SS**  trans174.8104.2130.2-74.60000109.5
200T41.6Very low46.5Very low112 Ų112136.5 Ų136.569%0.68777%0.771SS**  61.2116.984.8-330000112
201M49.4Very low46.5Very low155 Ų155138.3 Ų138.376%0.76477%0.769SS**  177.6139.586.4-86.2-9813200111.6
202T41.8Very low46.6Very low103 Ų103137 Ų13763%0.63277%0.77SS**  trans62.2113.9136.4610000120.4
203L45.6Very low46.5Very low171 Ų171133.1 Ų133.190%0.89577%0.765SS**  89.8142.167.4-81.7171.8000114
204D39.5Very low46.7Very low151 Ų151135.5 Ų135.581%0.80778%0.776SS**  trans100.996.9161.8-136.933.5000115.6
205S44.3Very low47.6Very low101 Ų101135.2 Ų135.271%0.70678%0.778SS**  88142.562.8-149.20000113.6
206S45.8Very low49.2Very low111 Ų111133.5 Ų133.578%0.77677%0.771SS**  trans84.687.9164.2-52.10000118.8
207G44.4Very low50.8Low80 Ų80128.8 Ų128.883%0.82575%0.751SS**  75.3126.4112.300000118.7
208R44.6Very low52.5Low245 Ų245127 Ų12793%0.92575%0.748SS**  142.3125.1115.7-167.3159.6-174.4171.20.5112.7
209S49.3Very low54.7Low84 Ų84127.7 Ų127.759%0.58774%0.735SS**  trans74.790.3149.2-173.70000118.4Q211S209-Q211 PolarHBondContact O-N 2.76Å
210V42.8Very low56.4Low154 Ų154126.5 Ų126.593%0.93372%0.717SS**  trans-8099.1150.9-177.80000107.3
211Q52.1Low58.6Low161 Ų161125.3 Ų125.375%0.75271%0.705SS**  trans-126.4120.6161.4-77.2-167.4-35.200108.6S209S209-Q211 PolarHBondContact O-N 2.76Å
212S45.8Very low60.6Low103 Ų103123.4 Ų123.472%0.7269%0.694SS**  trans60.7129.214361.30000120.9
213S51.6Low62.8Low100 Ų100125.9 Ų125.970%0.69969%0.692SS**  trans86.9119.2151.882.90000117Q215S213-Q215 PolarHBondContact O-N 3.35Å
214T56.6Low64.9Low149 Ų149121.9 Ų121.991%0.91467%0.67SS**  trans-60.772174.541.80000112.3
215Q71.3Confident67.3Low170 Ų170121.2 Ų121.279%0.79466%0.662SS**  trans-129.5111164.4-61.8-156.212.500108.8S213 T217S213-Q215 PolarHBondContact O-N 3.35Å; Q215-T217 PolarHBondContact O-N 3.31Å
216F79.7Confident69.6Low130 Ų130121.8 Ų121.857%0.5765%0.654SS**  trans-64.5133.8175.6-68.5-77.9000109.6Q220 I221 M224F216-Q220 HydrophobicContact CB-CB 4.31Å; F216-Q220 HydrophobicContact CD1-CB 4.34Å; F216-I221 HydrophobicContact CB-CD1 4.26Å; F216-I221 HydrophobicContact CB-CG1 3.72Å; F216-M224 HydrophobicContact CB-CE 3.98Å; F216-M224 HydrophobicContact CD1-CE 3.74Å; F216-M224 HydrophobicContact CD1-SD 4.24Å; F216-M224 HydrophobicContact CD2-CE 3.9Å; F216-M224 HydrophobicContact CE1-CE 4.16Å; F216-M224 HydrophobicContact CE1-SD 4.1Å; F216-M224 HydrophobicContact CE2-CE 4.3Å; F216-M224 HydrophobicContact CG-CE 3.59Å; F216-M224 HydrophobicContact CZ-CE 4.43Å; F216-M224 HydrophobicContact CZ-SD 4.31Å
217T83.6Confident71.8Confident68 Ų68121.9 Ų121.942%0.41765%0.645SS.*  trans-60.2151.2172.159.30000110.2Q215 E219 Q220 I221Q215-T217 PolarHBondContact O-N 3.31Å; T217-E219 PolarHBondContact O-N 3.2Å; T217-E219 VanDerWaalsContact O-N 3.17Å; T217-Q220 WeakPolarHBondContact O-CB 3.4Å; T217-Q220 PolarHBondContact O-N 2.94Å; T217-Q220 WeakPolarHBondContact OG1-CB 3.4Å; T217-Q220 VanDerWaalsContact OG1-CD 3.29Å; T217-Q220 WeakPolarHBondContact OG1-CG 3.34Å; T217-Q220 PolarHBondContact OG1-N 2.88Å; T217-Q220 PolarHBondContact OG1-OE1 3.37Å; T217-I221 WeakPolarHBondContact O-CG1 3.35Å; T217-I221 PolarHBondContact O-N 3.3Å
218P83.4Confident74.2Confident112 Ų112127.1 Ų127.173%0.72764%0.64SS**Hα-helixtrans-57.4-33.2179.223.1-33.8000112.2I221 Q222P218-I221 PolarHBondContact O-N 2.8Å; P218-Q222 PolarHBondContact O-N 3.48Å
219E85Confident76.5Confident110 Ų110123.1 Ų123.151%0.51463%0.63SS.*Hα-helixtrans-66.8-40.2174.6-166.1-175.2170.500112.4T217 Q222 R223T217-E219 PolarHBondContact O-N 3.2Å; T217-E219 VanDerWaalsContact O-N 3.17Å; E219-Q222 PolarHBondContact O-N 3.36Å; E219-R223 WeakPolarHBondContact O-CG 3.4Å; E219-R223 PolarHBondContact O-N 3.13Å; E219-R223 IonicContact OE1-CZ 2.72Å; E219-R223 IonicContact OE1-NE 2.65Å; E219-R223 IonicContact OE1-NH2 2.67Å; E219-R223 PolarHBondContact OE1-NH2 3.41Å
220Q86.8Confident78.4Confident87 Ų87126.7 Ų126.741%0.40763%0.63SS.*Hα-helixtrans-65.1-39.4173.3-78.6167.8-4900111.9F216 T217 R223 M224F216-Q220 HydrophobicContact CB-CB 4.31Å; F216-Q220 HydrophobicContact CD1-CB 4.34Å; T217-Q220 WeakPolarHBondContact O-CB 3.4Å; T217-Q220 PolarHBondContact O-N 2.94Å; T217-Q220 WeakPolarHBondContact OG1-CB 3.4Å; T217-Q220 VanDerWaalsContact OG1-CD 3.29Å; T217-Q220 WeakPolarHBondContact OG1-CG 3.34Å; T217-Q220 PolarHBondContact OG1-N 2.88Å; T217-Q220 PolarHBondContact OG1-OE1 3.37Å; Q220-R223 PolarHBondContact O-N 3.35Å; Q220-M224 WeakPolarHBondContact O-CB 3.32Å; Q220-M224 VanDerWaalsContact O-CG 3.3Å; Q220-M224 WeakPolarHBondContact O-CG 3.31Å; Q220-M224 PolarHBondContact O-N 3.16Å
221I87.5Confident80.6Confident86 Ų86121.8 Ų121.844%0.44161%0.606SS.*Hα-helixtrans-61.8-46.1176.6-63.2170000110.3F216 T217 P218 R223 M224 E225F216-I221 HydrophobicContact CB-CD1 4.26Å; F216-I221 HydrophobicContact CB-CG1 3.72Å; T217-I221 WeakPolarHBondContact O-CG1 3.35Å; T217-I221 PolarHBondContact O-N 3.3Å; P218-I221 PolarHBondContact O-N 2.8Å; I221-R223 PolarHBondContact O-N 3.27Å; I221-M224 HydrophobicContact CB-CE 4.47Å; I221-M224 HydrophobicContact CG1-CE 4.1Å; I221-M224 PolarHBondContact O-N 3.05Å; I221-E225 PolarHBondContact O-N 3.49Å
222Q90.3Very high82.5Confident115 Ų115118.9 Ų118.954%0.53760%0.595SS.*Hα-helixtrans-60.2-45.3176.8-173.5179.3-10.700111.8P218 E219 M224 E225 E226P218-Q222 PolarHBondContact O-N 3.48Å; E219-Q222 PolarHBondContact O-N 3.36Å; Q222-M224 VanDerWaalsContact C-N 3.33Å; Q222-M224 PolarHBondContact O-N 3.21Å; Q222-E225 PolarHBondContact O-N 3.07Å; Q222-E226 PolarHBondContact NE2-OE1 3.12Å; Q222-E226 WeakPolarHBondContact O-CG 3.49Å; Q222-E226 PolarHBondContact O-N 3.46Å
223R88.6Confident84.6Confident155 Ų155120.2 Ų120.259%0.58559%0.59SS**Hα-helixtrans-61.9-38.9175.9-70.1178.1-170.8-174.73.3112.4E219 Q220 I221 N227E219-R223 WeakPolarHBondContact O-CG 3.4Å; E219-R223 PolarHBondContact O-N 3.13Å; E219-R223 IonicContact OE1-CZ 2.72Å; E219-R223 IonicContact OE1-NE 2.65Å; E219-R223 IonicContact OE1-NH2 2.67Å; E219-R223 PolarHBondContact OE1-NH2 3.41Å; Q220-R223 PolarHBondContact O-N 3.35Å; I221-R223 PolarHBondContact O-N 3.27Å; R223-N227 WeakPolarHBondContact O-CB 3.41Å; R223-N227 PolarHBondContact O-N 3.12Å
224M89.4Confident86.5Confident87 Ų87123.3 Ų123.343%0.42959%0.586SS.*Hα-helixtrans-66.6-39.8176-74-172.7-62.900111.9F216 Q220 I221 Q222 N227 R228F216-M224 HydrophobicContact CB-CE 3.98Å; F216-M224 HydrophobicContact CD1-CE 3.74Å; F216-M224 HydrophobicContact CD1-SD 4.24Å; F216-M224 HydrophobicContact CD2-CE 3.9Å; F216-M224 HydrophobicContact CE1-CE 4.16Å; F216-M224 HydrophobicContact CE1-SD 4.1Å; F216-M224 HydrophobicContact CE2-CE 4.3Å; F216-M224 HydrophobicContact CG-CE 3.59Å; F216-M224 HydrophobicContact CZ-CE 4.43Å; F216-M224 HydrophobicContact CZ-SD 4.31Å; Q220-M224 WeakPolarHBondContact O-CB 3.32Å; Q220-M224 VanDerWaalsContact O-CG 3.3Å; Q220-M224 WeakPolarHBondContact O-CG 3.31Å; Q220-M224 PolarHBondContact O-N 3.16Å; I221-M224 HydrophobicContact CB-CE 4.47Å; I221-M224 HydrophobicContact CG1-CE 4.1Å; I221-M224 PolarHBondContact O-N 3.05Å; Q222-M224 VanDerWaalsContact C-N 3.33Å; Q222-M224 PolarHBondContact O-N 3.21Å; M224-N227 PolarHBondContact O-N 3.02Å; M224-R228 WeakPolarHBondContact O-CB 3.42Å; M224-R228 PolarHBondContact O-N 3.05Å
225E91.2Very high88.1Confident138 Ų138121.1 Ų121.165%0.64557%0.568SS**Hα-helixtrans-68-42.6178.1-174.4163.5-136.300112.2I221 Q222 N227 R228 K229I221-E225 PolarHBondContact O-N 3.49Å; Q222-E225 PolarHBondContact O-N 3.07Å; E225-N227 PolarHBondContact O-N 3.45Å; E225-R228 WeakPolarHBondContact O-CB 3.33Å; E225-R228 PolarHBondContact O-N 3.45Å; E225-K229 PolarHBondContact O-N 3.33Å
226E91.5Very high89.1Confident113 Ų113117.2 Ų117.253%0.52855%0.552SS.*Hα-helixtrans-62.3-42.4174.1-72.4176.4-170.400111.9Q222 K229 R230Q222-E226 PolarHBondContact NE2-OE1 3.12Å; Q222-E226 WeakPolarHBondContact O-CG 3.49Å; Q222-E226 PolarHBondContact O-N 3.46Å; E226-K229 PolarHBondContact O-N 2.87Å; E226-R230 PolarHBondContact O-N 3.01Å
227N92.1Very high89.4Confident112 Ų112113.8 Ų113.860%0.59955%0.547SS*.Hα-helixtrans-65.4-42.5176.3-160.2-42.1000111.3R223 M224 E225 K229 R230 A231R223-N227 WeakPolarHBondContact O-CB 3.41Å; R223-N227 PolarHBondContact O-N 3.12Å; M224-N227 PolarHBondContact O-N 3.02Å; E225-N227 PolarHBondContact O-N 3.45Å; N227-K229 VanDerWaalsContact C-N 3.33Å; N227-K229 PolarHBondContact O-N 3.15Å; N227-R230 PolarHBondContact O-N 3.28Å; N227-A231 WeakPolarHBondContact O-CB 3.31Å; N227-A231 PolarHBondContact O-N 2.81Å
228R94.6Very high89.7Confident191 Ų191119.6 Ų119.672%0.72156%0.562SS**Hα-helixtrans-57.2-44.4173.6-174-179-175.8174.82.3111.6M224 E225 A231 L232M224-R228 WeakPolarHBondContact O-CB 3.42Å; M224-R228 PolarHBondContact O-N 3.05Å; E225-R228 WeakPolarHBondContact O-CB 3.33Å; E225-R228 PolarHBondContact O-N 3.45Å; R228-A231 PolarHBondContact O-N 3.46Å; R228-L232 WeakPolarHBondContact O-CG 3.16Å; R228-L232 PolarHBondContact O-N 3.36Å; R228-L232 VanDerWaalsContact O-N 3.15Å
229K92.5Very high89.9Confident161 Ų161119.6 Ų119.670%0.755%0.552SS**Hα-helixtrans-63.5-45.8177.6-172.2178.4178.5-178.90111.9E225 E226 N227 A231 L232 E233E225-K229 PolarHBondContact O-N 3.33Å; E226-K229 PolarHBondContact O-N 2.87Å; N227-K229 VanDerWaalsContact C-N 3.33Å; N227-K229 PolarHBondContact O-N 3.15Å; K229-A231 VanDerWaalsContact C-N 3.34Å; K229-A231 PolarHBondContact O-N 2.99Å; K229-L232 PolarHBondContact O-N 3.03Å; K229-E233 PolarHBondContact O-N 2.89Å; K229-E233 VanDerWaalsContact O-N 3.08Å
230R88.9Confident90Very high159 Ų159121.4 Ų121.460%0.656%0.558SS**Hα-helixtrans-66.3-35.2179.2-162.7176.9-171.3172.92.2112.5E226 N227 E233 R234E226-R230 PolarHBondContact O-N 3.01Å; N227-R230 PolarHBondContact O-N 3.28Å; R230-E233 PolarHBondContact O-N 3.25Å; R230-R234 WeakPolarHBondContact O-CG 3.42Å; R230-R234 PolarHBondContact O-N 3.14Å
231A89.2Confident89.8Confident51 Ų51120.2 Ų120.242%0.42156%0.559SS.*Hα-helixtrans-65.5-42175.300000112.1N227 R228 K229 R234 L235N227-A231 WeakPolarHBondContact O-CB 3.31Å; N227-A231 PolarHBondContact O-N 2.81Å; R228-A231 PolarHBondContact O-N 3.46Å; K229-A231 VanDerWaalsContact C-N 3.34Å; K229-A231 PolarHBondContact O-N 2.99Å; A231-R234 PolarHBondContact O-N 2.9Å; A231-L235 PolarHBondContact O-N 3.48Å
232L93.3Very high89.5Confident99 Ų99120.5 Ų120.552%0.51856%0.559SS.*Hα-helixtrans-64.6-40.9175-72.4174.4000112.3R228 K229 L235 I236R228-L232 WeakPolarHBondContact O-CG 3.16Å; R228-L232 PolarHBondContact O-N 3.36Å; R228-L232 VanDerWaalsContact O-N 3.15Å; K229-L232 PolarHBondContact O-N 3.03Å; L232-L235 PolarHBondContact O-N 3.42Å; L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 3.22Å
233E90.1Very high88.8Confident132 Ų132119.4 Ų119.462%0.61756%0.557SS**Hα-helixtrans-61.9-43.6175.8-174.3176.8-167.900112K229 R230 L235 I236 A237K229-E233 PolarHBondContact O-N 2.89Å; K229-E233 VanDerWaalsContact O-N 3.08Å; R230-E233 PolarHBondContact O-N 3.25Å; E233-L235 VanDerWaalsContact C-N 3.33Å; E233-L235 PolarHBondContact O-N 3.46Å; E233-I236 PolarHBondContact O-N 3.21Å; E233-A237 WeakPolarHBondContact O-CB 3.45Å; E233-A237 PolarHBondContact O-N 3.15Å
234R91.8Very high88.2Confident164 Ų164117.4 Ų117.462%0.61956%0.557SS**Hα-helixtrans-60.8-40174.3-76.6178.2174.6166.5-3112.4R230 A231 A237 R238R230-R234 WeakPolarHBondContact O-CG 3.42Å; R230-R234 PolarHBondContact O-N 3.14Å; A231-R234 PolarHBondContact O-N 2.9Å; R234-A237 PolarHBondContact O-N 3.27Å; R234-R238 WeakPolarHBondContact O-CB 3.42Å; R234-R238 PolarHBondContact O-N 3.3Å
235L88.9Confident87.1Confident104 Ų104120.3 Ų120.355%0.54557%0.57SS.*Hα-helixtrans-63.5-47.1176.9-170.2157000111A231 L232 E233 A237 R238 Q239A231-L235 PolarHBondContact O-N 3.48Å; L232-L235 PolarHBondContact O-N 3.42Å; E233-L235 VanDerWaalsContact C-N 3.33Å; E233-L235 PolarHBondContact O-N 3.46Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 3.4Å; L235-R238 PolarHBondContact O-N 3.22Å; L235-Q239 PolarHBondContact O-N 3.37Å
236I92Very high85.6Confident88 Ų88120.8 Ų120.845%0.45157%0.57SS.*Hα-helixtrans-63.6-40.2177.6-65.2166.4000110.9L232 E233 Q239 K240L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 3.22Å; E233-I236 PolarHBondContact O-N 3.21Å; I236-Q239 PolarHBondContact O-N 2.95Å; I236-K240 HydrophobicContact CG2-CD 4.39Å; I236-K240 WeakPolarHBondContact O-CG 3.33Å; I236-K240 PolarHBondContact O-N 2.93Å
237A87.6Confident84.1Confident57 Ų57122.3 Ų122.347%0.47158%0.58SS.*Hα-helixtrans-62.9-43.2176.700000111.9E233 R234 L235 Q239 K240 S241E233-A237 WeakPolarHBondContact O-CB 3.45Å; E233-A237 PolarHBondContact O-N 3.15Å; R234-A237 PolarHBondContact O-N 3.27Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 3.4Å; A237-Q239 VanDerWaalsContact C-N 3.34Å; A237-Q239 PolarHBondContact O-N 2.84Å; A237-K240 PolarHBondContact O-N 3.11Å; A237-S241 PolarHBondContact O-N 2.91Å; A237-S241 PolarHBondContact O-OG 3.1Å
238R88.5Confident82.7Confident190 Ų190120.3 Ų120.372%0.71758%0.579SS**Hα-helixtrans-63.2-39.1175.6-168179.1-175.5-146.71.9112R234 L235 S241 E242R234-R238 WeakPolarHBondContact O-CB 3.42Å; R234-R238 PolarHBondContact O-N 3.3Å; L235-R238 PolarHBondContact O-N 3.22Å; R238-S241 PolarHBondContact O-N 2.86Å; R238-S241 PolarHBondContact O-OG 3.43Å; R238-E242 WeakPolarHBondContact O-CB 3.14Å; R238-E242 PolarHBondContact O-N 3.39Å
239Q87.7Confident80.4Confident112 Ų112115.5 Ų115.552%0.52358%0.58SS.*Hα-helixtrans-67.6-36.6176.4-166.7178.40.900112.2L235 I236 A237 N243L235-Q239 PolarHBondContact O-N 3.37Å; I236-Q239 PolarHBondContact O-N 2.95Å; A237-Q239 VanDerWaalsContact C-N 3.34Å; A237-Q239 PolarHBondContact O-N 2.84Å; Q239-N243 WeakPolarHBondContact O-CB 3.49Å; Q239-N243 PolarHBondContact O-N 3Å; Q239-N243 VanDerWaalsContact O-N 3.08Å
240K86.8Confident78.2Confident149 Ų149113.5 Ų113.565%0.64858%0.584SS**Hα-helixtrans-67-40.7174.6-74.7179-179.7-179.50112.3I236 A237 N244I236-K240 HydrophobicContact CG2-CD 4.39Å; I236-K240 WeakPolarHBondContact O-CG 3.33Å; I236-K240 PolarHBondContact O-N 2.93Å; A237-K240 PolarHBondContact O-N 3.11Å; K240-N244 WeakPolarHBondContact O-CB 3.4Å; K240-N244 PolarHBondContact O-N 3.39Å; K240-N244 VanDerWaalsContact O-N 3.08Å
241S83.5Confident76Confident61 Ų61115.6 Ų115.643%0.42760%0.597SS.*Hα-helixtrans-67.4-42.1176.759.70000111.7A237 R238 N243 N244 E245A237-S241 PolarHBondContact O-N 2.91Å; A237-S241 PolarHBondContact O-OG 3.1Å; R238-S241 PolarHBondContact O-N 2.86Å; R238-S241 PolarHBondContact O-OG 3.43Å; S241-N243 VanDerWaalsContact C-N 3.34Å; S241-N243 PolarHBondContact O-N 3.03Å; S241-N244 PolarHBondContact O-N 3.19Å; S241-N244 VanDerWaalsContact O-N 3.16Å; S241-E245 PolarHBondContact O-N 3.24Å
242E80.3Confident73.9Confident92 Ų92125.1 Ų125.143%0.4362%0.622SS.*Hα-helixtrans-64.5-37.4178.2-166.4-177.3161.700112.3R238 K246R238-E242 WeakPolarHBondContact O-CB 3.14Å; R238-E242 PolarHBondContact O-N 3.39Å; E242-K246 WeakPolarHBondContact O-CG 3.35Å; E242-K246 PolarHBondContact O-N 3.32Å; E242-K246 IonicContact OE1-NZ 3.77Å; E242-K246 PolarHBondContact OE1-NZ 3.49Å
243N76.8Confident71.3Confident93 Ų93125 Ų12550%0.49763%0.63SS.*Hα-helixtrans-70-33173.9-83.6-1000112.9Q239 S241 I247Q239-N243 WeakPolarHBondContact O-CB 3.49Å; Q239-N243 PolarHBondContact O-N 3Å; Q239-N243 VanDerWaalsContact O-N 3.08Å; S241-N243 VanDerWaalsContact C-N 3.34Å; S241-N243 PolarHBondContact O-N 3.03Å; N243-I247 WeakPolarHBondContact O-CD1 3.45Å; N243-I247 WeakPolarHBondContact O-CG1 3.49Å
244N75.4Confident69Low112 Ų112125 Ų12560%0.59963%0.634SS**Hα-helixtrans-75.4-38178.3-162.130.9000111.9K240 S241 K246 I247 A248K240-N244 WeakPolarHBondContact O-CB 3.4Å; K240-N244 PolarHBondContact O-N 3.39Å; K240-N244 VanDerWaalsContact O-N 3.08Å; S241-N244 PolarHBondContact O-N 3.19Å; S241-N244 VanDerWaalsContact O-N 3.16Å; N244-K246 VanDerWaalsContact C-N 3.32Å; N244-K246 PolarHBondContact O-N 3.32Å; N244-I247 PolarHBondContact O-N 3.5Å; N244-A248 WeakPolarHBondContact O-CB 3.49Å; N244-A248 PolarHBondContact O-N 3.41Å
245E65.6Low66.8Low149 Ų149124.8 Ų124.870%0.69664%0.64SS**Hα-helixtrans-65.4-33.5175.7-76.6-174.8161.800112.6S241 I247S241-E245 PolarHBondContact O-N 3.24Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 PolarHBondContact O-N 3.46Å
246K61.4Low64.6Low147 Ų147127.5 Ų127.564%0.63965%0.65SS**THydrogen-bonded Turntrans-71.4-18.5176.1-72175.7-172.5170.50114.2E242 N244E242-K246 WeakPolarHBondContact O-CG 3.35Å; E242-K246 PolarHBondContact O-N 3.32Å; E242-K246 IonicContact OE1-NZ 3.77Å; E242-K246 PolarHBondContact OE1-NZ 3.49Å; N244-K246 VanDerWaalsContact C-N 3.32Å; N244-K246 PolarHBondContact O-N 3.32Å
247I60Low62.4Low146 Ų146131.6 Ų131.675%0.74967%0.673SS**THydrogen-bonded Turntrans-98.2-20.8-179.4-62.3171.7000111.8N243 N244 E245N243-I247 WeakPolarHBondContact O-CD1 3.45Å; N243-I247 WeakPolarHBondContact O-CG1 3.49Å; N244-I247 PolarHBondContact O-N 3.5Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 PolarHBondContact O-N 3.46Å
248A61.2Low60.2Low70 Ų70137.6 Ų137.658%0.57969%0.691SS**  trans-100.916.9-169.700000116.2N244 P250N244-A248 WeakPolarHBondContact O-CB 3.49Å; N244-A248 PolarHBondContact O-N 3.41Å; A248-P250 WeakPolarHBondContact O-CD 3.47Å
249A47.3Very low58.2Low89 Ų89138 Ų13874%0.73670%0.698SS**  trans-98.497.7176.500000112.6
250P46.7Very low56Low119 Ų119141.4 Ų141.477%0.77371%0.714SS**  trans-86.7135171.633.5-33.2000112A248A248-P250 WeakPolarHBondContact O-CD 3.47Å
251K42.4Very low53.7Low204 Ų204139.6 Ų139.689%0.88772%0.72SS**  trans-53.1131.8167.6-65.6173.7175.5179.70111.7
252R43.9Very low51.8Low250 Ų250141.5 Ų141.594%0.94373%0.731SS**  trans-136.8101.9153.1-86.7-171.9174.5174.5-1.6109.7
253S40.4Very low49.9Very low97 Ų97144.2 Ų144.268%0.67875%0.748SS**  trans-72.3143.4155.340.80000109.7
254D41.5Very low47.9Very low133 Ų133144.3 Ų144.371%0.71176%0.762SS**  168.8132.2122.1-86.8-18.4000113.5
255Q45.2Very low46.5Very low159 Ų159144 Ų14474%0.74377%0.768SS**  trans71141.8150.1-62.8167.230.400118.3
256Q43.6Very low45.7Very low161 Ų161146.3 Ų146.375%0.75278%0.779SS**  cis-175.7133.7-5.6-109.3171-20.200103.4
257D45.2Very low45.1Very low173 Ų173144.5 Ų144.593%0.92578%0.777SS**  trans178.3129.1132.6-99.2-32.8000112.2
258E40.9Very low44.7Very low184 Ų184141.6 Ų141.686%0.8677%0.77SS**  trans-75.3141.7-177.8-67.2-171.9106.100113
259K47.2Very low43.9Very low197 Ų197147 Ų14786%0.85778%0.78SS**  -168.2103.5130-106.9172-174.4-175.90111.9
260Q40.9Very low44.2Very low184 Ų184145.5 Ų145.586%0.8677%0.768SS**  trans34.8107.4140-69.3173.1-3700120.6
261S37.8Very low44.6Very low111 Ų111146.7 Ų146.778%0.77676%0.763SS**  9.3161.8128.2-118.50000121.4
262P43.9Very low45Very low102 Ų102144 Ų14466%0.66275%0.753SS**  cis-141.5162.14.938.4-18.1000117.3
263N40.7Very low45.4Very low148 Ų148136 Ų13679%0.79174%0.737SS**  trans46.3123136.2-64.1-23.1000122.8
264A35.8Very low46.2Very low96 Ų96135.9 Ų135.979%0.79374%0.735SS**  63.7100.3127.100000118.1
265S44.3Very low47.1Very low104 Ų104140.1 Ų140.173%0.72774%0.741SS**  trans-140.774150.452.70000108.6D267S265-D267 PolarHBondContact O-N 2.99Å
266E50.1Low47.8Very low198 Ų198140.3 Ų140.393%0.92574%0.744SS**THydrogen-bonded Turntrans-65.566154.6-66.5-175.1136.200108.7
267D47.6Very low48.7Very low109 Ų109136.6 Ų136.658%0.58373%0.729SS**THydrogen-bonded Turntrans-139.9-5.8177.9-96.8-38000114S265 F269 E271S265-D267 PolarHBondContact O-N 2.99Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 2.88Å; D267-E271 PolarHBondContact O-N 3.37Å
268S51.6Low50Low86 Ų86131.2 Ų131.260%0.60171%0.705SS**THydrogen-bonded Turntrans-75.2-12.6-175.6-175.80000114.9
269F46.1Very low51.3Low183 Ų183129.8 Ų129.880%0.80370%0.698SS**THydrogen-bonded Turntrans-93.9-25.1179.3-169.3-108000112.6D267D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 2.88Å
270A52.4Low52.4Low57 Ų57126.5 Ų126.547%0.47169%0.69SS.*Hα-helixtrans-81.2-28.1175.800000112.5Q272 S273 S274A270-Q272 VanDerWaalsContact C-N 3.26Å; A270-Q272 PolarHBondContact O-N 2.91Å; A270-S273 PolarHBondContact O-N 3.42Å; A270-S273 PolarHBondContact O-OG 2.94Å; A270-S274 PolarHBondContact O-OG 3.32Å
271E54.6Low53.9Low144 Ų144122.7 Ų122.767%0.67367%0.672SS**Hα-helixtrans-72.4-15.4174.4-81.4-172.6145.200114.2D267 S274D267-E271 PolarHBondContact O-N 3.37Å; E271-S274 WeakPolarHBondContact CA-OG 3.48Å; E271-S274 PolarHBondContact O-OG 3.42Å; E271-S274 VanDerWaalsContact O-OG 3.1Å
272Q50.8Low55.5Low147 Ų147123 Ų12369%0.68766%0.66SS**Hα-helixtrans-87.4-21.7174.6-70.8-172.1-4.900112.9A270A270-Q272 VanDerWaalsContact C-N 3.26Å; A270-Q272 PolarHBondContact O-N 2.91Å
273S53.8Low56.9Low84 Ų84121.3 Ų121.359%0.58765%0.645SS**Hα-helixtrans-84.5-20.1176.568.50000113.2A270 R275A270-S273 PolarHBondContact O-N 3.42Å; A270-S273 PolarHBondContact O-OG 2.94Å; S273-R275 PolarHBondContact O-N 3.17Å
274S56.4Low58.5Low93 Ų93117.1 Ų117.165%0.6563%0.631SS**THydrogen-bonded Turntrans-793.2176.149.60000114.4A270 E271A270-S274 PolarHBondContact O-OG 3.32Å; E271-S274 WeakPolarHBondContact CA-OG 3.48Å; E271-S274 PolarHBondContact O-OG 3.42Å; E271-S274 VanDerWaalsContact O-OG 3.1Å
275R60.3Low60.3Low222 Ų222119.7 Ų119.784%0.83863%0.626SS**THydrogen-bonded Turntrans-100.618.9174.9-118.3-179.3-172.9167.23.2114.2S273 L277S273-R275 PolarHBondContact O-N 3.17Å; R275-L277 PolarHBondContact O-N 3.44Å
276M60.1Low61.6Low163 Ų163119.4 Ų119.480%0.80362%0.616SS**  trans-70.7107.5167.6-68.8-96.986.500108.4S278M276-S278 PolarHBondContact O-N 3.04Å
277L62.5Low62.4Low83 Ų83113 Ų11344%0.43560%0.603SS.*  trans-52.1134169.9-62.2169.2000108.4R275 E281R275-L277 PolarHBondContact O-N 3.44Å; L277-E281 HydrophobicContact CB-CB 4.3Å; L277-E281 HydrophobicContact CB-CG 4.39Å; L277-E281 HydrophobicContact CD2-CG 3.93Å; L277-E281 WeakPolarHBondContact CD2-OE1 3.44Å
278S72.5Confident63.2Low60 Ų60114.6 Ų114.642%0.4261%0.605SS.*  trans-58.2149.2174.568.80000109.5M276 N280 E281 F282M276-S278 PolarHBondContact O-N 3.04Å; S278-N280 PolarHBondContact O-N 3.32Å; S278-E281 WeakPolarHBondContact O-CA 3.48Å; S278-E281 WeakPolarHBondContact O-CB 3.42Å; S278-E281 PolarHBondContact O-N 3.12Å; S278-E281 WeakPolarHBondContact OG-CB 3.42Å; S278-E281 PolarHBondContact OG-N 2.99Å; S278-F282 PolarHBondContact O-N 2.81Å
279E68.1Low63.5Low154 Ų154115.6 Ų115.672%0.7261%0.612SS**Hα-helixtrans-50.4-33.7178.9-171.2171.4-178.500111.9L283E279-L283 HydrophobicContact CG-CD1 4.35Å; E279-L283 WeakPolarHBondContact O-CB 3.45Å; E279-L283 WeakPolarHBondContact O-CD1 3.21Å; E279-L283 WeakPolarHBondContact O-CG 3.49Å; E279-L283 PolarHBondContact O-N 3.37Å
280N69.6Low64Low129 Ų129112.4 Ų112.469%0.6961%0.613SS**Hα-helixtrans-70.9-32.4177.4-53.3-18.6000113.2S278 A284S278-N280 PolarHBondContact O-N 3.32Å; N280-A284 WeakPolarHBondContact O-CB 3.43Å; N280-A284 PolarHBondContact O-N 3Å; N280-A284 VanDerWaalsContact O-N 3.12Å
281E73.7Confident64.2Low104 Ų104119 Ų11949%0.48663%0.634SS.*Hα-helixtrans-79.9-37.9178.5-170.5173.8-168.800111.2L277 S278 L283 A284 E285L277-E281 HydrophobicContact CB-CB 4.3Å; L277-E281 HydrophobicContact CB-CG 4.39Å; L277-E281 HydrophobicContact CD2-CG 3.93Å; L277-E281 WeakPolarHBondContact CD2-OE1 3.44Å; S278-E281 WeakPolarHBondContact O-CA 3.48Å; S278-E281 WeakPolarHBondContact O-CB 3.42Å; S278-E281 PolarHBondContact O-N 3.12Å; S278-E281 WeakPolarHBondContact OG-CB 3.42Å; S278-E281 PolarHBondContact OG-N 2.99Å; E281-L283 VanDerWaalsContact C-N 3.35Å; E281-A284 PolarHBondContact O-N 2.93Å; E281-E285 PolarHBondContact O-N 3.36Å
282F71.8Confident64.1Low116 Ų116116.2 Ų116.251%0.50964%0.635SS.*Hα-helixtrans-62-41.4171.1-178.7-102.2000112.1S278 E285 L286S278-F282 PolarHBondContact O-N 2.81Å; F282-E285 PolarHBondContact O-N 3.06Å; F282-L286 HydrophobicContact CD1-CD1 4.02Å; F282-L286 HydrophobicContact CE1-CD1 3.45Å; F282-L286 VanDerWaalsContact CE1-CD1 3.45Å; F282-L286 HydrophobicContact CE2-CD1 4.41Å; F282-L286 HydrophobicContact CZ-CD1 3.69Å; F282-L286 PolarHBondContact O-N 3.19Å
283L72.2Confident63.6Low68 Ų68116.4 Ų116.436%0.35668%0.677SS.*Hα-helixtrans-70.1-34.5176.5-71.5171000112.6E279 E281 L286 G287 F288E279-L283 HydrophobicContact CG-CD1 4.35Å; E279-L283 WeakPolarHBondContact O-CB 3.45Å; E279-L283 WeakPolarHBondContact O-CD1 3.21Å; E279-L283 WeakPolarHBondContact O-CG 3.49Å; E279-L283 PolarHBondContact O-N 3.37Å; E281-L283 VanDerWaalsContact C-N 3.35Å; L283-L286 PolarHBondContact O-N 3.15Å; L283-G287 PolarHBondContact O-N 2.89Å; L283-F288 HydrophobicContact CB-CB 4.36Å; L283-F288 HydrophobicContact CD2-CB 4.41Å; L283-F288 WeakPolarHBondContact O-CA 3.49Å; L283-F288 PolarHBondContact O-N 3.31Å
284A74.7Confident64.1Low59 Ų59118 Ų11849%0.48868%0.681SS.*Hα-helixtrans-65.6-38173.900000112.4N280 E281 L286 G287N280-A284 WeakPolarHBondContact O-CB 3.43Å; N280-A284 PolarHBondContact O-N 3Å; N280-A284 VanDerWaalsContact O-N 3.12Å; E281-A284 PolarHBondContact O-N 2.93Å; A284-L286 VanDerWaalsContact C-N 3.29Å; A284-L286 PolarHBondContact O-N 3.32Å; A284-G287 PolarHBondContact O-N 3.39Å
285E73.6Confident64.5Low150 Ų150119.3 Ų119.370%0.70168%0.683SS**Hα-helixtrans-69.9-26176.5-168.1161.8-173.700112.8E281 F282 G287E281-E285 PolarHBondContact O-N 3.36Å; F282-E285 PolarHBondContact O-N 3.06Å; E285-G287 VanDerWaalsContact C-N 3.29Å; E285-G287 PolarHBondContact O-N 2.65Å
286L71.6Confident64.8Low98 Ų98113.6 Ų113.651%0.51367%0.674SS.*THydrogen-bonded Turntrans-85.97172.4-68.8175.7000114.1F282 L283 A284 F288F282-L286 HydrophobicContact CD1-CD1 4.02Å; F282-L286 HydrophobicContact CE1-CD1 3.45Å; F282-L286 VanDerWaalsContact CE1-CD1 3.45Å; F282-L286 HydrophobicContact CE2-CD1 4.41Å; F282-L286 HydrophobicContact CZ-CD1 3.69Å; F282-L286 PolarHBondContact O-N 3.19Å; L283-L286 PolarHBondContact O-N 3.15Å; A284-L286 VanDerWaalsContact C-N 3.29Å; A284-L286 PolarHBondContact O-N 3.32Å; L286-F288 VanDerWaalsContact C-N 3.27Å; L286-F288 HydrophobicContact CB-CD2 3.83Å; L286-F288 HydrophobicContact CB-CE2 4.26Å; L286-F288 WeakPolarHBondContact O-CD2 3.5Å; L286-F288 PolarHBondContact O-N 3.47Å
287G66.9Low65.1Low63 Ų63110.7 Ų110.765%0.64967%0.667SS**THydrogen-bonded Turntrans74.314.517800000114.3L283 A284 E285 S289L283-G287 PolarHBondContact O-N 2.89Å; A284-G287 PolarHBondContact O-N 3.39Å; E285-G287 VanDerWaalsContact C-N 3.29Å; E285-G287 PolarHBondContact O-N 2.65Å; G287-S289 PolarHBondContact O-N 3.49Å
288F63.7Low65.2Low143 Ų143112.4 Ų112.463%0.62768%0.681SS**  trans-93.281.3172-68.2-80.8000109.2L283 L286 S290L283-F288 HydrophobicContact CB-CB 4.36Å; L283-F288 HydrophobicContact CD2-CB 4.41Å; L283-F288 WeakPolarHBondContact O-CA 3.49Å; L283-F288 PolarHBondContact O-N 3.31Å; L286-F288 VanDerWaalsContact C-N 3.27Å; L286-F288 HydrophobicContact CB-CD2 3.83Å; L286-F288 HydrophobicContact CB-CE2 4.26Å; L286-F288 WeakPolarHBondContact O-CD2 3.5Å; L286-F288 PolarHBondContact O-N 3.47Å; F288-S290 PolarHBondContact O-N 3.28Å
289S58.2Low64.7Low108 Ų108115.9 Ų115.976%0.75570%0.699SS**  trans-69.9115.3166.9-71.70000109.4G287 E291G287-S289 PolarHBondContact O-N 3.49Å; S289-E291 VanDerWaalsContact C-N 3.32Å; S289-E291 PolarHBondContact O-N 2.99Å
290S57.7Low64.5Low116 Ų116113.2 Ų113.281%0.81170%0.697SS**  trans-68.293164.9-1760000108.5F288 A292F288-S290 PolarHBondContact O-N 3.28Å; S290-A292 PolarHBondContact O-N 3.25Å
291E56Low64.1Low194 Ų194112 Ų11291%0.90770%0.698SS**  trans-82.286167.7-157.1173.4-178.200107.1S289S289-E291 VanDerWaalsContact C-N 3.32Å; S289-E291 PolarHBondContact O-N 2.99Å
292A53Low63.3Low86 Ų86112.7 Ų112.771%0.71172%0.715SS**  trans-100.5116.4170.400000109.2S290S290-A292 PolarHBondContact O-N 3.25Å
293G40.4Very low62.5Low151 Ų151112.4 Ų112.4100%1.55773%0.734SS**  trans-82.10152.600000111.4

Retrieved 293 of 293 residues in 203.7 ms (Link to these results)