A0A087Y2J7_POEFO Loading...

UNC homeobox

AlphaFold DB , UniProt , Accession A0A087Y2J7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 464 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M57.1Low51.8Low218 Ų218160.6 Ų160.6100%1.07484%0.837SS**  0104.20-65.6-170.4-168.300107.9D3M1-D3 PolarHBondContact N-OD2 3.33Å
2M43.9Very low51.2Low180 Ų180155.4 Ų155.489%0.88784%0.835SS**  cis-111.3139.15-6175.4171.400110.8
3D45.2Very low50.7Low136 Ų136157.2 Ų157.273%0.72783%0.834SS**  trans-108.3104.8-174.4-62.5-93.4000109.4M1 R5M1-D3 PolarHBondContact N-OD2 3.33Å; D3-R5 PolarHBondContact O-N 3.37Å
4S54.7Low49.7Very low119 Ų119160.6 Ų160.683%0.83284%0.839SS**  trans-77.7105.3-175.2-680000111.7I6S4-I6 PolarHBondContact O-N 3.38Å
5R45.4Very low49Very low232 Ų232154.8 Ų154.888%0.87583%0.834SS**PPolyproline II helixtrans-75.9117.8178.5-50.4177.7-158.81685.4110.4D3D3-R5 PolarHBondContact O-N 3.37Å
6I58.5Low48.4Very low161 Ų161149.9 Ų149.983%0.82683%0.831SS**PPolyproline II helixtrans-93.3128.1161.8-65.5175.7000107.1S4S4-I6 PolarHBondContact O-N 3.38Å
7L54.4Low48Very low155 Ų155148.5 Ų148.581%0.81283%0.834SS**PPolyproline II helixtrans-81.5125172.6-91.471.8000109.3
8D53.8Low48Very low151 Ų151149.8 Ų149.881%0.80784%0.838SS**PPolyproline II helixtrans-98.3130.3171-156.46.6000109.2
9P56.7Low47.8Very low107 Ų107146.4 Ų146.470%0.69584%0.84SS**PPolyproline II helixtrans-66.7142.9-179.2-22.234.6000113H11P9-H11 PolarHBondContact O-N 3.5Å
10P58.8Low47.3Very low131 Ų131142.8 Ų142.885%0.85184%0.836SS**PPolyproline II helixtrans-67.7124.6-17426.2-34.4000113A12P10-A12 PolarHBondContact O-N 2.98Å
11H41.7Very low47.2Very low177 Ų177145 Ų14582%0.81984%0.841SS**  trans-68.1109.9175.1-176.690000111.1P9 Q13P9-H11 PolarHBondContact O-N 3.5Å; H11-Q13 PolarHBondContact O-N 3.38Å
12A44.4Very low46.6Very low98 Ų98141 Ų14181%0.8183%0.828SS**  trans-75.593.3-179.100000112P10 F14P10-A12 PolarHBondContact O-N 2.98Å; A12-F14 PolarHBondContact O-N 3.28Å
13Q45.1Very low46.4Very low178 Ų178135.8 Ų135.883%0.83282%0.821SS**  trans-69.7113.5175.2-176.8-178.58.600111H11H11-Q13 PolarHBondContact O-N 3.38Å
14F36.3Very low45.9Very low205 Ų205138.9 Ų138.990%0.89983%0.828SS**  trans-140.1107.9169.3-147.4-91.8000111.7A12A12-F14 PolarHBondContact O-N 3.28Å
15G39.5Very low45.6Very low74 Ų74137.7 Ų137.776%0.76382%0.818SS**  trans-136.8118-178.700000111.9
16G39.6Very low45.3Very low76 Ų76136.7 Ų136.778%0.78482%0.815SS**  trans80117.2162.100000117.4
17S40.2Very low44.4Very low127 Ų127136.1 Ų136.189%0.88881%0.809SS**  -161.6169.3103.5-159.70000111.2
18L48.4Very low43.5Very low171 Ų171137.2 Ų137.290%0.89582%0.815SS**  trans-103.3148.8-175.3-74.7151000112.1
19G43.8Very low42.6Very low85 Ų85134.4 Ų134.488%0.87681%0.806SS**  trans85.5127156.500000116.3
20G38Very low41.8Very low75 Ų75137.7 Ų137.777%0.77381%0.812SS**  trans174.270.2178.700000113.2V22G20-V22 PolarHBondContact O-N 3.39Å
21M45.9Very low40.8Very low190 Ų190140.1 Ų140.194%0.93681%0.812SS**  trans-84.2100.2-178.8179.9166.459.400111.6
22V45.1Very low40.8Very low132 Ų132139.5 Ų139.580%0.881%0.809SS**  trans-139126.6162.7-77.70000109.5G20G20-V22 PolarHBondContact O-N 3.39Å
23G39.9Very low40.3Very low71 Ų71141.2 Ų141.273%0.73281%0.809SS**  trans-100.5155.9178.300000112.4
24F32.7Very low40Very low202 Ų202142 Ų14289%0.88681%0.806SS**  trans-128.4150.9164.5-88.4-91.5000110.2
25P50.3Low40.2Very low94 Ų94140.6 Ų140.661%0.6180%0.802SS**  trans-112.2-176.2-159.221.70.4000113.9
26Y37.4Very low40.2Very low211 Ų211144.5 Ų144.583%0.82781%0.805SS**  trans74.8144.4173.9-58.1-87.8000116.9
27H41Very low40.4Very low149 Ų149145.3 Ų145.369%0.6980%0.804SS**  cis-162.2102.3-31.4-159.9-85.1000107.9
28L34.6Very low40.5Very low178 Ų178143 Ų14393%0.93280%0.8SS**  trans-100.8103.1179.1-168.462.1000110
29S36.2Very low40.2Very low91 Ų91143.9 Ų143.964%0.63680%0.799SS**PPolyproline II helixtrans-67.6147.1-170.1-61.70000113.8
30H39.8Very low39.9Very low177 Ų177148.2 Ų148.282%0.81980%0.796SS**PPolyproline II helixtrans-64.2141.1-173.2-73-114.7000113.8H32H30-H32 PolarHBondContact O-N 2.93Å
31H37.8Very low40.4Very low182 Ų182152.8 Ų152.884%0.84380%0.802SS**PPolyproline II helixtrans-60.6124.8154.7-85.4-107.9000109.5V33H31-V33 PolarHBondContact O-N 3.34Å
32H40.7Very low40.1Very low163 Ų163152.3 Ų152.376%0.75580%0.798SS**PPolyproline II helixtrans-73.2117.1163.9-92.170.6000109.3H30 Y34H30-H32 PolarHBondContact O-N 2.93Å; H32-Y34 PolarHBondContact O-N 3.26Å
33V34.9Very low40Very low134 Ų134151.7 Ų151.781%0.81280%0.799SS**  trans-82.6108.2161.3178.70000106.8H31H31-V33 PolarHBondContact O-N 3.34Å
34Y38.2Very low40.1Very low195 Ų195153.3 Ų153.377%0.76581%0.806SS**  trans-90.2102.7162.9-103.6-78.7000108.9H32H32-Y34 PolarHBondContact O-N 3.26Å
35E39.6Very low40.7Very low176 Ų176149.1 Ų149.182%0.82280%0.802SS**  trans-69.2125.4161.4-179177178.300108.4
36L39.8Very low40.9Very low156 Ų156148.1 Ų148.182%0.81780%0.801SS**  trans-147.8136.3171.4-141.274.2000110.1
37A43.3Very low42Very low92 Ų92142.6 Ų142.676%0.7679%0.789SS**  trans-66.9149.7-175.700000112.4
38G43Very low42.8Very low78 Ų78140.8 Ų140.880%0.80479%0.791SS**  trans-69.1139-165.500000115
39H42.6Very low43.9Very low191 Ų191141.1 Ų141.188%0.88479%0.785SS**  trans-123.8160.3164.6-86.9-90.3000112.1
40Q38.1Very low45.5Very low175 Ų175138.8 Ų138.882%0.81877%0.769SS**  trans-59.9151.8-165.3-171.6176.68900115.1Q42Q40-Q42 PolarHBondContact O-N 2.84Å
41L47.6Very low47Very low172 Ų172136.3 Ų136.390%0.90176%0.76SS**  trans-50.6126.1174.7-69.4162.9000112.7
42Q39.8Very low48.6Very low179 Ų179132.8 Ų132.884%0.83675%0.747SS**  trans-130.5122.9159-75.4-172.2-9.800111.4Q40Q40-Q42 PolarHBondContact O-N 2.84Å
43S42.6Very low49.8Very low120 Ų120126 Ų12684%0.83972%0.722SS**  trans14.5118.3159.7-52.60000119S45S43-S45 PolarHBondContact O-N 2.76Å
44A42.2Very low51.5Low105 Ų105125 Ų12587%0.86871%0.711SS**  trans-59.8122.6168.500000111.3A46A44-A46 PolarHBondContact O-N 3.06Å
45S45Very low53Low114 Ų114122.5 Ų122.580%0.79771%0.711SS**  trans-67.6114.9169.3-175.10000109.3S43 V47S43-S45 PolarHBondContact O-N 2.76Å; S45-V47 PolarHBondContact O-N 3.24Å
46A54.4Low54Low73 Ų73120.7 Ų120.760%0.60371%0.707SS**  trans-70.2103.3-177.700000110.5A44A44-A46 PolarHBondContact O-N 3.06Å
47V61.1Low54.5Low95 Ų95116 Ų11658%0.57670%0.696SS**  trans-61.9131.1172-63.40000109S45 F49 S50S45-V47 PolarHBondContact O-N 3.24Å; V47-F49 PolarHBondContact O-N 3.04Å; V47-S50 PolarHBondContact O-N 3.26Å
48P56.8Low54.9Low110 Ų110116 Ų11671%0.71469%0.691SS**THydrogen-bonded Turntrans-70.79.1-162.126.5-36.2000115.7
49F57.8Low55.1Low185 Ų185116.3 Ų116.381%0.81168%0.679SS**THydrogen-bonded Turntrans-136.815.8175.7-62.6-75.7000113.1V47V47-F49 PolarHBondContact O-N 3.04Å
50S70.4Confident55.4Low43 Ų43113.9 Ų113.930%0.30168%0.678SS.*  trans-68.7142.5168.7-148.70000110.1V47 D52 G53 L54V47-S50 PolarHBondContact O-N 3.26Å; S50-D52 PolarHBondContact O-N 3.05Å; S50-D52 PolarHBondContact OG-OD2 3.11Å; S50-G53 PolarHBondContact O-N 3.23Å; S50-G53 VanDerWaalsContact O-N 3.08Å; S50-L54 PolarHBondContact O-N 2.7Å
51I70.6Confident55.9Low124 Ų124109.2 Ų109.264%0.63667%0.669SS**Hα-helixtrans-57.3-38.9177.4-68.6169000110.4G53 L54 L55I51-G53 VanDerWaalsContact C-N 3.33Å; I51-G53 PolarHBondContact O-N 3.5Å; I51-L54 PolarHBondContact O-N 2.9Å; I51-L55 HydrophobicContact CG2-CD1 3.83Å; I51-L55 HydrophobicContact CG2-CG 4.43Å; I51-L55 WeakPolarHBondContact O-CG 3.36Å; I51-L55 PolarHBondContact O-N 3.4Å
52D71.2Confident55.6Low108 Ų108106.5 Ų106.558%0.57867%0.665SS**Hα-helixtrans-64.2-36.3179.1-32.4-85.4000112.1S50 L54 L55 N56S50-D52 PolarHBondContact O-N 3.05Å; S50-D52 PolarHBondContact OG-OD2 3.11Å; D52-L54 VanDerWaalsContact C-N 3.35Å; D52-L55 PolarHBondContact O-N 2.87Å; D52-N56 VanDerWaalsContact O-CB 3.28Å; D52-N56 WeakPolarHBondContact O-CB 3.46Å; D52-N56 PolarHBondContact O-N 2.75Å
53G66.1Low55.8Low22 Ų22105 Ų10523%0.22767%0.668CS.*Hα-helixtrans-70.7-30.2177.600000113.2S50 I51S50-G53 PolarHBondContact O-N 3.23Å; S50-G53 VanDerWaalsContact O-N 3.08Å; I51-G53 VanDerWaalsContact C-N 3.33Å; I51-G53 PolarHBondContact O-N 3.5Å
54L70.6Confident55.6Low111 Ų111102.7 Ų102.758%0.58166%0.663SS**Hα-helixtrans-75-39.1172.9-63.2173.8000111.6S50 I51 D52S50-L54 PolarHBondContact O-N 2.7Å; I51-L54 PolarHBondContact O-N 2.9Å; D52-L54 VanDerWaalsContact C-N 3.35Å
55L70.1Confident55.4Low144 Ų144104.5 Ų104.575%0.75466%0.658SS**Hα-helixtrans-72.9-35.4179.1-69.4171000112.8I51 D52 G57I51-L55 HydrophobicContact CG2-CD1 3.83Å; I51-L55 HydrophobicContact CG2-CG 4.43Å; I51-L55 WeakPolarHBondContact O-CG 3.36Å; I51-L55 PolarHBondContact O-N 3.4Å; D52-L55 PolarHBondContact O-N 2.87Å; L55-G57 PolarHBondContact O-N 2.9Å
56N60.5Low55.3Low138 Ų138104.2 Ų104.274%0.73866%0.656SS**THydrogen-bonded Turntrans-8720-179.2-150.1103.8000113.4D52 S58D52-N56 VanDerWaalsContact O-CB 3.28Å; D52-N56 WeakPolarHBondContact O-CB 3.46Å; D52-N56 PolarHBondContact O-N 2.75Å; N56-S58 PolarHBondContact O-N 3.14Å
57G51Low54.4Low58 Ų58107.5 Ų107.560%0.59866%0.663SS**THydrogen-bonded Turntrans64.69.7167.600000117.1L55 C59L55-G57 PolarHBondContact O-N 2.9Å; G57-C59 PolarHBondContact O-N 2.83Å; G57-C59 VanDerWaalsContact O-N 3.16Å
58S50.8Low54.4Low92 Ų92108.4 Ų108.464%0.64367%0.671SS**  trans-85.217.7-169.4-143.30000114.2N56 T60N56-S58 PolarHBondContact O-N 3.14Å; S58-T60 PolarHBondContact O-N 3.09Å
59C47.3Very low53.5Low83 Ų83110.7 Ų110.756%0.56168%0.677SS**  trans-8495.1178.855.90000111.5G57 A61G57-C59 PolarHBondContact O-N 2.83Å; G57-C59 VanDerWaalsContact O-N 3.16Å; C59-A61 PolarHBondContact O-N 2.76Å
60T50.5Low52.8Low140 Ų140109.3 Ų109.386%0.85968%0.677SS**  trans-71.938.6171.851.40000113.4S58 S62S58-T60 PolarHBondContact O-N 3.09Å; T60-S62 VanDerWaalsContact C-N 3.33Å; T60-S62 PolarHBondContact O-N 2.79Å
61A47.1Very low51.1Low77 Ų77112.3 Ų112.364%0.63670%0.698SS**  trans-90.762.9178.300000110.7C59 V63C59-A61 PolarHBondContact O-N 2.76Å; A61-V63 PolarHBondContact O-N 3Å
62S41.7Very low49.4Very low116 Ų116112.4 Ų112.481%0.81171%0.71SS**  trans-59101.7178.4-61.60000111.3T60 G64T60-S62 VanDerWaalsContact C-N 3.33Å; T60-S62 PolarHBondContact O-N 2.79Å; S62-G64 PolarHBondContact O-N 3.26Å
63V44.2Very low47.6Very low147 Ų147111.1 Ų111.189%0.89172%0.722SS**  trans-73.275.4169.1-76.40000109.4A61 N65A61-V63 PolarHBondContact O-N 3Å; V63-N65 PolarHBondContact O-N 3.22Å; V63-N65 VanDerWaalsContact O-N 3.1Å
64G39.3Very low46Very low72 Ų72116.6 Ų116.674%0.74276%0.755SS**  trans-56113.2-178.200000111.7S62S62-G64 PolarHBondContact O-N 3.26Å
65N36.1Very low44.4Very low142 Ų142114.7 Ų114.776%0.75976%0.762SS**  trans-62.4134.6174.8-17641.8000110.1V63 N67V63-N65 PolarHBondContact O-N 3.22Å; V63-N65 VanDerWaalsContact O-N 3.1Å; N65-N67 PolarHBondContact O-N 3.31Å
66S43.4Very low42.9Very low108 Ų108116.4 Ų116.476%0.75577%0.769SS**  trans-79.8109-178.455.60000111.3
67N35.1Very low42Very low142 Ų142117.8 Ų117.876%0.75978%0.776SS**  trans-137141161.4-109.7-14000110N65N65-N67 PolarHBondContact O-N 3.31Å
68P61Low41.2Very low114 Ų114118.6 Ų118.674%0.7478%0.784SS**  trans-107.4115.3-166.436.3-27.4000113.6
69L38Very low40.8Very low158 Ų158121.2 Ų121.283%0.82779%0.791SS**  trans-139.7117164.1-73.9177.9000112.1
70L43.2Very low40.4Very low157 Ų157123.5 Ų123.582%0.82280%0.798SS**  16.5139.5120-50.8176.2000117.3
71S34.5Very low39.9Very low105 Ų105125 Ų12573%0.73480%0.795SS**  cis-168.8151.1-9-175.90000109.7
72S35.9Very low39.3Very low127 Ų127128.2 Ų128.289%0.88880%0.797SS**  trans-158.2136155.8-97.80000110
73G32.7Very low39.3Very low81 Ų81131.5 Ų131.584%0.83579%0.793SS**  trans-103.9140.6-159.100000115.2
74C32.6Very low38.9Very low136 Ų136133.9 Ų133.992%0.91979%0.791SS**  trans-129.9121.6144.4550000106.7
75G37.1Very low39.4Very low71 Ų71138 Ų13873%0.73280%0.796SS**  trans-111.2142.1-174.300000111.7
76M38.1Very low39.9Very low181 Ų181137.1 Ų137.189%0.89280%0.8SS**  trans-153.8128155.1-156.865.168.700108.8
77N41.4Very low39.6Very low166 Ų166139.3 Ų139.389%0.88880%0.803SS**  trans-89.5150.1167.3-69.5-17.9000108.8
78G36Very low40Very low75 Ų75137 Ų13777%0.77380%0.799SS**  trans179.6121.9174.900000112.6
79D41.4Very low39.4Very low147 Ų147138.4 Ų138.479%0.78681%0.805SS**  trans-87.4158.1-172.9-77.8-88.9000115
80N38.2Very low39.6Very low132 Ų132136.5 Ų136.571%0.70680%0.795SS**  trans32.6105.1147.2-78-84.6000119.9
81Q40Very low40.2Very low172 Ų172133.6 Ų133.680%0.80479%0.786SS**  -178.5128.7119.6-96.5151.5106.500109.3
82Q36.2Very low40.9Very low143 Ų143135.5 Ų135.567%0.66879%0.788SS**  81.7125.679.2-150.8-151.5-25.300112.9
83Y41Very low41.4Very low186 Ų186137.4 Ų137.473%0.72978%0.78SS**  trans35.6118.5167.480.5-69.3000121.4
84K35.3Very low42.1Very low196 Ų196141 Ų14185%0.85278%0.78SS**  -161.5142.7118.6-127.3174.3-178.9175.20112.8
85L49.7Very low42.8Very low160 Ų160138.5 Ų138.584%0.83877%0.765SS**  trans-78.9135.9154.3-85.786.3000108.7
86S46.5Very low43.7Very low123 Ų123140.4 Ų140.486%0.8676%0.764SS**  trans152.3111.6142.1-84.40000107.9
87D38.4Very low44.4Very low153 Ų153134.7 Ų134.782%0.81875%0.752SS**  trans-141.1126.4150.8-157.813.4000112.6
88S42.6Very low44.9Very low94 Ų94132.2 Ų132.266%0.65775%0.746SS**  trans-11.5140.3156.1-32.20000118.1D90S88-D90 PolarHBondContact O-N 2.93Å
89V48.6Very low46.1Very low143 Ų143136.9 Ų136.987%0.86775%0.745SS**  trans-76.5108.9155.5173.50000108.3
90D42.9Very low47.3Very low118 Ų118140.8 Ų140.863%0.63175%0.749SS**  trans-116.3112.6164.3179.12.1000108.9S88 D92S88-D90 PolarHBondContact O-N 2.93Å; D90-D92 PolarHBondContact OD1-N 3.21Å
91P54.5Low49.2Very low97 Ų97145.8 Ų145.863%0.6376%0.758SS**  trans-91.8-8.3179.335.5-32.3000114.5K93P91-K93 PolarHBondContact O-N 2.84Å
92D49.6Very low51.2Low145 Ų145147.9 Ų147.978%0.77576%0.758SS**  trans-99.743.3-160.5-83.9-68000114.7D90D90-D92 PolarHBondContact OD1-N 3.21Å
93K45.8Very low53.7Low166 Ų166146.9 Ų146.972%0.72276%0.762SS**  trans-11220.3179.4-111.6-67.1172.8-176.80116.2P91 S95P91-K93 PolarHBondContact O-N 2.84Å; K93-S95 PolarHBondContact O-N 3.05Å
94D47.6Very low56.1Low157 Ų157147.3 Ų147.384%0.8476%0.762SS**  trans-71.488.7-179.4-121.2-39.6000112.8P96D94-P96 WeakPolarHBondContact O-CD 3.35Å
95S48.8Very low58.9Low84 Ų84139.7 Ų139.759%0.58773%0.732SS**  trans-89.2108.2171.1-63.80000110.1K93 G97K93-S95 PolarHBondContact O-N 3.05Å; S95-G97 PolarHBondContact O-N 3.43Å
96P54.5Low61.1Low110 Ų110137.8 Ų137.871%0.71472%0.723SS**THydrogen-bonded Turntrans-73.714.8-167.430.1-37.4000115.4D94 K99D94-P96 WeakPolarHBondContact O-CD 3.35Å; P96-K99 PolarHBondContact O-NZ 2.95Å
97G54Low63.5Low62 Ų62134.8 Ų134.864%0.63969%0.694SS**THydrogen-bonded Turntrans-73.4-58.7-172.700000114.3S95S95-G97 PolarHBondContact O-N 3.43Å
98C50.6Low66.4Low113 Ų113131 Ų13176%0.76468%0.677SS**  trans-104.2109.5-168-169.50000112.7R100C98-R100 PolarHBondContact O-N 3.11Å
99K61.6Low69Low174 Ų174128.7 Ų128.776%0.75767%0.667SS**  trans-76.269.7178.8-75.463.9170.9175.90110.3P96 R101P96-K99 PolarHBondContact O-NZ 2.95Å; K99-R101 PolarHBondContact O-N 3.47Å
100R66.9Low71.4Confident229 Ų229127.8 Ų127.886%0.86465%0.649SS**  trans-67.893.6-175-162.3162.985156.41.4111C98 R102C98-R100 PolarHBondContact O-N 3.11Å; R100-R102 PolarHBondContact O-N 2.87Å
101R78.9Confident74Confident237 Ų237123.3 Ų123.389%0.89462%0.624SS**  trans-40.9115179.2-175.6-178.7-177.9-165.33.1111.4K99 T103K99-R101 PolarHBondContact O-N 3.47Å; R101-T103 PolarHBondContact O-N 3.14Å
102R81.4Confident76.1Confident216 Ų216121.6 Ų121.682%0.81561%0.609SS**PPolyproline II helixtrans-51.9129.7-176.5-72-174.5177.9-172.4-0.9111.3R100 R104R100-R102 PolarHBondContact O-N 2.87Å; R102-R104 PolarHBondContact O-N 3.23Å
103T88Confident78.4Confident121 Ų121120.7 Ų120.774%0.74260%0.6SS**PPolyproline II helixtrans-58.9134.8179.6-46.30000111.5R101 R143R101-T103 PolarHBondContact O-N 3.14Å; T103-R143 PolarHBondContact O-NH1 2.92Å
104R92.7Very high80.9Confident195 Ų195113.7 Ų113.774%0.73657%0.57SS**PPolyproline II helixtrans-71.2128.3176.2178.5176.3-177.8-92.34.6109.8R102 N106R102-R104 PolarHBondContact O-N 3.23Å; R104-N106 PolarHBondContact NH1-OD1 3.25Å
105T93.4Very high83.4Confident36 Ų36106.2 Ų106.222%0.22153%0.53CS..PPolyproline II helixtrans-70132.5168.1-56.10000109.2F107 L139 R143T105-F107 HydrophobicContact CG2-CD1 4.04Å; T105-F107 HydrophobicContact CG2-CE1 3.72Å; T105-F107 HydrophobicContact CG2-CE2 4.34Å; T105-F107 HydrophobicContact CG2-CG 4.48Å; T105-F107 HydrophobicContact CG2-CZ 3.9Å; T105-L139 HydrophobicContact CG2-CD2 4.15Å; T105-R143 VanDerWaalsContact OG1-CD 3.31Å; T105-R143 WeakPolarHBondContact OG1-CD 3.25Å; T105-R143 PolarHBondContact OG1-NH1 3.48Å
106N96.1Very high85.7Confident120 Ų120105.8 Ų105.864%0.64252%0.519SS*.PPolyproline II helixtrans-102.1134.4162.9-57.5-50.1000106.7R104R104-N106 PolarHBondContact NH1-OD1 3.25Å
107F97.4Very high87.8Confident60 Ų60105.4 Ų105.426%0.26351%0.506SS..PPolyproline II helixtrans-101144178.1-56.5-82.1000109.2T105 Q111 L112 L115 L139 W147T105-F107 HydrophobicContact CG2-CD1 4.04Å; T105-F107 HydrophobicContact CG2-CE1 3.72Å; T105-F107 HydrophobicContact CG2-CE2 4.34Å; T105-F107 HydrophobicContact CG2-CG 4.48Å; T105-F107 HydrophobicContact CG2-CZ 3.9Å; F107-Q111 VanDerWaalsContact CA-OE1 3.27Å; F107-Q111 HydrophobicContact CB-CB 4.33Å; F107-L112 HydrophobicContact CB-CD1 4.45Å; F107-L112 HydrophobicContact CB-CD2 3.75Å; F107-L112 HydrophobicContact CB-CG 3.82Å; F107-L112 HydrophobicContact CD2-CD2 4.23Å; F107-L112 HydrophobicContact CG-CD2 4.13Å; F107-L115 HydrophobicContact CD1-CD1 4.36Å; F107-L115 HydrophobicContact CE1-CD1 4.48Å; F107-L139 HydrophobicContact CD1-CD1 3.94Å; F107-L139 HydrophobicContact CD1-CD2 4.09Å; F107-L139 HydrophobicContact CE1-CD1 3.84Å; F107-L139 HydrophobicContact CE1-CD2 4.01Å; F107-W147 AromaticContact CE2-CD1 3.77Å; F107-W147 HydrophobicContact CZ-CB 4.27Å; F107-W147 AromaticContact CZ-CD1 3.93Å
108T98.3Very high89.9Confident75 Ų75102.7 Ų102.746%0.4648%0.478SS..PPolyproline II helixtrans-73.6166.1170.870.40000110.8Q111 L112T108-Q111 PolarHBondContact O-N 3.41Å; T108-Q111 WeakPolarHBondContact OG1-CB 3.41Å; T108-Q111 VanDerWaalsContact OG1-CG 3.28Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.39Å; T108-Q111 PolarHBondContact OG1-N 2.95Å; T108-L112 WeakPolarHBondContact O-CG 3.32Å; T108-L112 PolarHBondContact O-N 3.37Å; T108-L112 VanDerWaalsContact O-N 3.09Å
109G98Very high92.2Very high44 Ų4497.4 Ų97.445%0.45444%0.442SS..Hα-helixtrans-56.3-53.1175.500000111.8Q111 L112 E113G109-Q111 PolarHBondContact O-N 3.28Å; G109-L112 CarbonylContact O-C 3.58Å; G109-L112 WeakPolarHBondContact O-CA 3.44Å; G109-L112 WeakPolarHBondContact O-CB 3.27Å; G109-L112 PolarHBondContact O-N 2.96Å; G109-E113 WeakPolarHBondContact O-CG 3.19Å; G109-E113 PolarHBondContact O-N 2.9Å
110W98.1Very high93.9Very high124 Ų12494.9 Ų94.947%0.4744%0.436SS..Hα-helixtrans-56.7-41.5176.6179.172.4000114L112 E113 E114 R136 L137W110-L112 VanDerWaalsContact C-N 3.3Å; W110-L112 PolarHBondContact O-N 2.8Å; W110-E113 PolarHBondContact O-N 3.47Å; W110-E114 PolarHBondContact O-N 2.81Å; W110-E114 VanDerWaalsContact O-N 3.08Å; W110-R136 WeakPolarHBondContact CH2-O 3.4Å; W110-L137 HydrophobicContact CE3-CD2 4.05Å; W110-L137 HydrophobicContact CH2-CD2 3.64Å; W110-L137 HydrophobicContact CZ2-CD2 4.25Å; W110-L137 HydrophobicContact CZ3-CD2 3.51Å
111Q98.4Very high95.4Very high24 Ų2490 Ų9011%0.11242%0.423CS..Hα-helixtrans-61.3-38.7173.8-76.3173-20.400111.8F107 T108 G109 L115 L137F107-Q111 VanDerWaalsContact CA-OE1 3.27Å; F107-Q111 HydrophobicContact CB-CB 4.33Å; T108-Q111 PolarHBondContact O-N 3.41Å; T108-Q111 WeakPolarHBondContact OG1-CB 3.41Å; T108-Q111 VanDerWaalsContact OG1-CG 3.28Å; T108-Q111 WeakPolarHBondContact OG1-CG 3.39Å; T108-Q111 PolarHBondContact OG1-N 2.95Å; G109-Q111 PolarHBondContact O-N 3.28Å; Q111-L115 WeakPolarHBondContact O-CB 3.3Å; Q111-L115 VanDerWaalsContact O-CD1 3.3Å; Q111-L115 WeakPolarHBondContact O-CD1 3.22Å; Q111-L115 WeakPolarHBondContact O-CG 3.18Å; Q111-L115 PolarHBondContact O-N 2.92Å; Q111-L137 HydrophobicContact CG-CB 4.24Å; Q111-L137 HydrophobicContact CG-CD2 4.33Å; Q111-L137 PolarHBondContact NE2-O 3.48Å
112L98.5Very high96.2Very high61 Ų6180.5 Ų80.532%0.31939%0.393SS..Hα-helixtrans-70.2-37.7175.8-66.6172.6000111.9F107 T108 G109 W110 L115 E116 W147F107-L112 HydrophobicContact CB-CD1 4.45Å; F107-L112 HydrophobicContact CB-CD2 3.75Å; F107-L112 HydrophobicContact CB-CG 3.82Å; F107-L112 HydrophobicContact CD2-CD2 4.23Å; F107-L112 HydrophobicContact CG-CD2 4.13Å; T108-L112 WeakPolarHBondContact O-CG 3.32Å; T108-L112 PolarHBondContact O-N 3.37Å; T108-L112 VanDerWaalsContact O-N 3.09Å; G109-L112 CarbonylContact O-C 3.58Å; G109-L112 WeakPolarHBondContact O-CA 3.44Å; G109-L112 WeakPolarHBondContact O-CB 3.27Å; G109-L112 PolarHBondContact O-N 2.96Å; W110-L112 VanDerWaalsContact C-N 3.3Å; W110-L112 PolarHBondContact O-N 2.8Å; L112-L115 PolarHBondContact O-N 2.92Å; L112-E116 WeakPolarHBondContact O-CB 3.44Å; L112-E116 WeakPolarHBondContact O-CG 3.26Å; L112-E116 PolarHBondContact O-N 2.81Å; L112-W147 VanDerWaalsContact CD2-NE1 3.26Å
113E98.3Very high97Very high126 Ų12673.2 Ų73.259%0.58937%0.368SS*.Hα-helixtrans-62-49.4178.3-72.2155.7-153.800112G109 W110 E116 K117G109-E113 WeakPolarHBondContact O-CG 3.19Å; G109-E113 PolarHBondContact O-N 2.9Å; W110-E113 PolarHBondContact O-N 3.47Å; E113-E116 PolarHBondContact O-N 3.07Å; E113-K117 WeakPolarHBondContact O-CB 3.38Å; E113-K117 PolarHBondContact O-N 3.11Å
114E98.4Very high97.5Very high20 Ų2075.1 Ų75.19%0.09336%0.363CS..Hα-helixtrans-67.7-36.9177.7-163.183.5-116.200111.8W110 K117 A118 L133 R136 L137W110-E114 PolarHBondContact O-N 2.81Å; W110-E114 VanDerWaalsContact O-N 3.08Å; E114-K117 PolarHBondContact O-N 3.03Å; E114-K117 WeakPolarHBondContact OE1-CD 3.47Å; E114-K117 IonicContact OE1-NZ 3.91Å; E114-K117 PolarHBondContact OE1-NZ 3.17Å; E114-A118 WeakPolarHBondContact O-CB 3.32Å; E114-A118 PolarHBondContact O-N 3.34Å; E114-L133 HydrophobicContact CG-CD2 4.36Å; E114-R136 VanDerWaalsContact CD-NE 3.3Å; E114-R136 IonicContact OE1-NE 2.84Å; E114-R136 IonicContact OE1-NH2 2.68Å; E114-R136 IonicContact OE2-CZ 2.7Å; E114-R136 IonicContact OE2-NE 3.9Å; E114-R136 PolarHBondContact OE2-NE 2.76Å; E114-R136 IonicContact OE2-NH2 3.18Å; E114-R136 PolarHBondContact OE2-NH2 3.46Å; E114-L137 HydrophobicContact CB-CD1 4.5Å; E114-L137 HydrophobicContact CB-CD2 3.99Å; E114-L137 HydrophobicContact CG-CD2 4.3Å
115L98.6Very high97.7Very high0 Ų066.1 Ų66.10%033%0.33CS..Hα-helixtrans-65.6-37173.7-73.1170000112.3F107 Q111 L112 F119 L137 L139 V144 W147 F148F107-L115 HydrophobicContact CD1-CD1 4.36Å; F107-L115 HydrophobicContact CE1-CD1 4.48Å; Q111-L115 WeakPolarHBondContact O-CB 3.3Å; Q111-L115 VanDerWaalsContact O-CD1 3.3Å; Q111-L115 WeakPolarHBondContact O-CD1 3.22Å; Q111-L115 WeakPolarHBondContact O-CG 3.18Å; Q111-L115 PolarHBondContact O-N 2.92Å; L112-L115 PolarHBondContact O-N 2.92Å; L115-F119 VanDerWaalsContact O-CB 3.25Å; L115-F119 WeakPolarHBondContact O-CB 3.21Å; L115-F119 PolarHBondContact O-N 2.89Å; L115-L137 HydrophobicContact CD1-CD1 4.29Å; L115-L137 HydrophobicContact CD2-CD1 3.9Å; L115-L137 HydrophobicContact CG-CD1 3.69Å; L115-L139 HydrophobicContact CD1-CD1 4.41Å; L115-V144 HydrophobicContact CD2-CG1 3.94Å; L115-V144 HydrophobicContact CD2-CG2 4.48Å; L115-W147 VanDerWaalsContact C-CH2 3.49Å; L115-W147 HydrophobicContact CB-CD2 4.06Å; L115-W147 HydrophobicContact CB-CE3 4.06Å; L115-W147 HydrophobicContact CB-CH2 3.74Å; L115-W147 HydrophobicContact CB-CZ2 3.7Å; L115-W147 HydrophobicContact CB-CZ3 3.91Å; L115-W147 HydrophobicContact CD1-CD2 3.97Å; L115-W147 HydrophobicContact CD1-CG 3.93Å; L115-W147 HydrophobicContact CD2-CE3 4.42Å; L115-W147 HydrophobicContact CG-CD2 4.44Å; L115-W147 WeakPolarHBondContact O-CH2 3.43Å; L115-W147 WeakPolarHBondContact O-CZ3 3.34Å; L115-F148 HydrophobicContact CD2-CD2 4.49Å; L115-F148 HydrophobicContact CD2-CE2 3.84Å
116E98.4Very high98Very high75 Ų7569 Ų6935%0.3534%0.344SS..Hα-helixtrans-73.6-35.9175-71.7-160.4-167.100112.5L112 E113 F119 N120 W147 R151L112-E116 WeakPolarHBondContact O-CB 3.44Å; L112-E116 WeakPolarHBondContact O-CG 3.26Å; L112-E116 PolarHBondContact O-N 2.81Å; E113-E116 PolarHBondContact O-N 3.07Å; E116-F119 PolarHBondContact O-N 2.88Å; E116-N120 PolarHBondContact O-N 3.27Å; E116-N120 VanDerWaalsContact O-N 3.08Å; E116-N120 PolarHBondContact O-ND2 2.96Å; E116-N120 PolarHBondContact O-OD1 2.87Å; E116-W147 HydrophobicContact CG-CH2 3.75Å; E116-W147 HydrophobicContact CG-CZ2 3.7Å; E116-R151 VanDerWaalsContact CD-NH2 3.32Å; E116-R151 IonicContact OE1-CZ 3.13Å; E116-R151 IonicContact OE1-NH1 2.89Å; E116-R151 PolarHBondContact OE1-NH1 3.44Å; E116-R151 IonicContact OE1-NH2 2.68Å; E116-R151 IonicContact OE2-CZ 2.71Å; E116-R151 IonicContact OE2-NH1 3.87Å; E116-R151 PolarHBondContact OE2-NH1 2.88Å; E116-R151 IonicContact OE2-NH2 3.53Å; E116-R151 PolarHBondContact OE2-NH2 3.25Å
117K98.3Very high98Very high102 Ų10265.8 Ų65.844%0.44333%0.328SS..Hα-helixtrans-60.1-54.9170.5177.4-172145.6-150.90111.2E113 E114 F119 N120 E121E113-K117 WeakPolarHBondContact O-CB 3.38Å; E113-K117 PolarHBondContact O-N 3.11Å; E114-K117 PolarHBondContact O-N 3.03Å; E114-K117 WeakPolarHBondContact OE1-CD 3.47Å; E114-K117 IonicContact OE1-NZ 3.91Å; E114-K117 PolarHBondContact OE1-NZ 3.17Å; K117-F119 PolarHBondContact O-N 3.48Å; K117-N120 WeakPolarHBondContact O-CB 3.36Å; K117-N120 PolarHBondContact O-N 3.02Å; K117-E121 WeakPolarHBondContact CE-OE1 3.31Å; K117-E121 PolarHBondContact O-N 3.42Å; K117-E121 VanDerWaalsContact O-N 3.12Å
118A97.9Very high98.1Very high5 Ų570.1 Ų70.14%0.04135%0.347CS..Hα-helixtrans-62.3-27.7177.900000112.8E114 E121 S122 L133 F148E114-A118 WeakPolarHBondContact O-CB 3.32Å; E114-A118 PolarHBondContact O-N 3.34Å; A118-E121 PolarHBondContact O-N 3.24Å; A118-S122 PolarHBondContact O-N 3.29Å; A118-L133 HydrophobicContact CB-CD1 3.78Å; A118-L133 HydrophobicContact CB-CD2 3.96Å; A118-L133 HydrophobicContact CB-CG 4.49Å; A118-F148 HydrophobicContact CB-CZ 4.29Å
119F98.3Very high98.1Very high2 Ų270 Ų701%0.00934%0.342CS..Hα-helixtrans-69.4-33.2171.5-176.7-95.5000113.3L115 E116 K117 E121 S122 H123 W147 F148 R151 R152 W155L115-F119 VanDerWaalsContact O-CB 3.25Å; L115-F119 WeakPolarHBondContact O-CB 3.21Å; L115-F119 PolarHBondContact O-N 2.89Å; E116-F119 PolarHBondContact O-N 2.88Å; K117-F119 PolarHBondContact O-N 3.48Å; F119-E121 VanDerWaalsContact C-N 3.35Å; F119-S122 CarbonylContact O-C 3.58Å; F119-S122 VanDerWaalsContact O-C 3.3Å; F119-H123 AromaticContact CD1-CD2 3.71Å; F119-H123 AromaticContact CE1-CD2 3.25Å; F119-H123 WeakPolarHBondContact CE1-CD2 3.38Å; F119-H123 AromaticContact CE1-NE2 3.58Å; F119-H123 HydrophobicContact CE2-CB 4.14Å; F119-H123 AromaticContact CE2-CD2 3.67Å; F119-H123 HydrophobicContact CZ-CB 4.37Å; F119-H123 AromaticContact CZ-CD2 3.22Å; F119-H123 WeakPolarHBondContact CZ-CD2 3.28Å; F119-H123 AromaticContact CZ-CG 3.99Å; F119-H123 AromaticContact CZ-NE2 3.87Å; F119-H123 PolarHBondContact O-CD2 2.92Å; F119-H123 PolarHBondContact O-N 3.08Å; F119-W147 HydrophobicContact CB-CH2 4.23Å; F119-W147 HydrophobicContact CB-CZ3 4.09Å; F119-W147 HydrophobicContact CD2-CZ3 4.36Å; F119-W147 HydrophobicContact CG-CZ3 4.44Å; F119-F148 HydrophobicContact CB-CE1 3.93Å; F119-F148 HydrophobicContact CB-CZ 4.32Å; F119-F148 AromaticContact CD2-CD1 3.76Å; F119-F148 HydrophobicContact CD2-CD1 3.76Å; F119-F148 AromaticContact CD2-CE1 3.76Å; F119-F148 HydrophobicContact CD2-CE1 3.76Å; F119-F148 HydrophobicContact CG-CE1 4.35Å; F119-R151 HydrophobicContact CD1-CG 3.78Å; F119-R151 HydrophobicContact CD2-CB 4.11Å; F119-R151 HydrophobicContact CD2-CG 3.43Å; F119-R151 VanDerWaalsContact CD2-CG 3.43Å; F119-R151 HydrophobicContact CE1-CG 3.72Å; F119-R151 HydrophobicContact CE2-CB 3.96Å; F119-R151 HydrophobicContact CE2-CG 3.38Å; F119-R151 HydrophobicContact CG-CG 3.63Å; F119-R151 HydrophobicContact CZ-CB 4.43Å; F119-R151 HydrophobicContact CZ-CG 3.54Å; F119-R152 HydrophobicContact CE2-CG 3.85Å; F119-R152 HydrophobicContact CZ-CG 4.42Å; F119-W155 AromaticContact CE1-CD1 3.91Å; F119-W155 HydrophobicContact CE1-CG 4.43Å; F119-W155 HydrophobicContact CZ-CB 4.12Å; F119-W155 HydrophobicContact CZ-CG 4.17Å
120N97.7Very high98.1Very high120 Ų12069.9 Ų69.964%0.64233%0.329SS*.Hα-helixtrans-72.3-31.1174.3-59.1-29.3000111.5E116 K117E116-N120 PolarHBondContact O-N 3.27Å; E116-N120 VanDerWaalsContact O-N 3.08Å; E116-N120 PolarHBondContact O-ND2 2.96Å; E116-N120 PolarHBondContact O-OD1 2.87Å; K117-N120 WeakPolarHBondContact O-CB 3.36Å; K117-N120 PolarHBondContact O-N 3.02Å
121E97.4Very high98.1Very high127 Ų12768.1 Ų68.159%0.59333%0.325SS*.Hα-helixtrans-72-45.8172.7-66.1166.8-161.400111.6K117 A118 F119K117-E121 WeakPolarHBondContact CE-OE1 3.31Å; K117-E121 PolarHBondContact O-N 3.42Å; K117-E121 VanDerWaalsContact O-N 3.12Å; A118-E121 PolarHBondContact O-N 3.24Å; F119-E121 VanDerWaalsContact C-N 3.35Å
122S97.4Very high98.1Very high38 Ų3869.7 Ų69.727%0.26634%0.343SS..  trans-150.1124.2170179.20000113.4A118 F119 Y124A118-S122 PolarHBondContact O-N 3.29Å; F119-S122 CarbonylContact O-C 3.58Å; F119-S122 VanDerWaalsContact O-C 3.3Å; S122-Y124 PolarHBondContact O-N 2.91Å; S122-Y124 VanDerWaalsContact OG-C 3.3Å; S122-Y124 PolarHBondContact OG-N 3.4Å; S122-Y124 VanDerWaalsContact OG-N 3.12Å; S122-Y124 PolarHBondContact OG-O 3.3Å
123H97.6Very high98.1Very high63 Ų6367.5 Ų67.529%0.29233%0.331SS..SBendtrans-63.5-20.4170.5-61.9148.2000113.6F119 R152 W155F119-H123 AromaticContact CD1-CD2 3.71Å; F119-H123 AromaticContact CE1-CD2 3.25Å; F119-H123 WeakPolarHBondContact CE1-CD2 3.38Å; F119-H123 AromaticContact CE1-NE2 3.58Å; F119-H123 HydrophobicContact CE2-CB 4.14Å; F119-H123 AromaticContact CE2-CD2 3.67Å; F119-H123 HydrophobicContact CZ-CB 4.37Å; F119-H123 AromaticContact CZ-CD2 3.22Å; F119-H123 WeakPolarHBondContact CZ-CD2 3.28Å; F119-H123 AromaticContact CZ-CG 3.99Å; F119-H123 AromaticContact CZ-NE2 3.87Å; F119-H123 PolarHBondContact O-CD2 2.92Å; F119-H123 PolarHBondContact O-N 3.08Å; H123-R152 VanDerWaalsContact O-CD 3.29Å; H123-R152 WeakPolarHBondContact O-CD 3.4Å; H123-R152 PolarHBondContact O-NH1 3.43Å; H123-W155 AromaticContact CE1-CE2 3.74Å; H123-W155 AromaticContact CE1-CZ2 3.81Å; H123-W155 AromaticContact CE1-NE1 3.65Å; H123-W155 AromaticContact NE2-NE1 3.56Å
124Y98.1Very high98.1Very high160 Ų16061.8 Ų61.863%0.62731%0.306SS*.SBendtrans-130.576-175.7-67.4-89.9000110.4S122 R152S122-Y124 PolarHBondContact O-N 2.91Å; S122-Y124 VanDerWaalsContact OG-C 3.3Å; S122-Y124 PolarHBondContact OG-N 3.4Å; S122-Y124 VanDerWaalsContact OG-N 3.12Å; S122-Y124 PolarHBondContact OG-O 3.3Å; Y124-R152 VanDerWaalsContact CE1-NE 3.27Å
125P97.6Very high98.1Very high7 Ų767.7 Ų67.75%0.04534%0.337CS..  trans-69.1133.7178.529.3-37.4000111.7M129 R130 F148P125-M129 HydrophobicContact CB-CB 4.33Å; P125-M129 HydrophobicContact CB-CE 3.66Å; P125-M129 HydrophobicContact CB-CG 4.34Å; P125-R130 HydrophobicContact CB-CG 3.79Å; P125-R130 HydrophobicContact CG-CG 3.64Å; P125-R130 PolarHBondContact O-NH1 3.16Å; P125-F148 HydrophobicContact CB-CE1 4.44Å; P125-F148 VanDerWaalsContact CD-CE1 3.48Å; P125-F148 HydrophobicContact CG-CD1 3.5Å; P125-F148 HydrophobicContact CG-CD2 4Å; P125-F148 HydrophobicContact CG-CE1 3.51Å; P125-F148 HydrophobicContact CG-CE2 4.02Å; P125-F148 HydrophobicContact CG-CG 3.76Å; P125-F148 HydrophobicContact CG-CZ 3.79Å
126D98.3Very high98.1Very high97 Ų9774.4 Ų74.452%0.51936%0.362SS..  trans-67.2165.1173.4-176.541.4000112.4F128 M129 R130D126-F128 PolarHBondContact O-N 2.9Å; D126-F128 WeakPolarHBondContact OD2-CD2 3.29Å; D126-M129 PolarHBondContact O-N 3.05Å; D126-M129 VanDerWaalsContact O-N 3.11Å; D126-R130 WeakPolarHBondContact O-CG 3.39Å; D126-R130 PolarHBondContact O-N 3Å
127V97.9Very high98Very high51 Ų5170.9 Ų70.931%0.30935%0.346SS..Hα-helixtrans-52.3-52.1-176.563.80000112.3M129 R130 E131V127-M129 VanDerWaalsContact C-N 3.26Å; V127-M129 PolarHBondContact O-N 3.49Å; V127-R130 PolarHBondContact O-N 2.81Å; V127-E131 HydrophobicContact CG2-CG 4.44Å; V127-E131 WeakPolarHBondContact O-CG 3.36Å; V127-E131 PolarHBondContact O-N 2.87Å
128F98.3Very high98Very high151 Ų15173.3 Ų73.366%0.66236%0.364SS*.Hα-helixtrans-61.3-34.2-180-59.4-66.8000112.6D126 E131 A132D126-F128 PolarHBondContact O-N 2.9Å; D126-F128 WeakPolarHBondContact OD2-CD2 3.29Å; F128-E131 PolarHBondContact O-N 2.68Å; F128-A132 WeakPolarHBondContact O-CB 3.35Å; F128-A132 PolarHBondContact O-N 3.07Å
129M98Very high98Very high72 Ų7274.3 Ų74.336%0.35537%0.368SS..Hα-helixtrans-75-33.1176.9-169.3155.173.900112.2P125 D126 V127 L133P125-M129 HydrophobicContact CB-CB 4.33Å; P125-M129 HydrophobicContact CB-CE 3.66Å; P125-M129 HydrophobicContact CB-CG 4.34Å; D126-M129 PolarHBondContact O-N 3.05Å; D126-M129 VanDerWaalsContact O-N 3.11Å; V127-M129 VanDerWaalsContact C-N 3.26Å; V127-M129 PolarHBondContact O-N 3.49Å; M129-L133 WeakPolarHBondContact O-CB 3.44Å; M129-L133 VanDerWaalsContact O-CG 3.27Å; M129-L133 WeakPolarHBondContact O-CG 3.49Å; M129-L133 PolarHBondContact O-N 3.22Å
130R98.6Very high98Very high43 Ų4380 Ų8016%0.16240%0.398CS..Hα-helixtrans-71.1-33.7171.9-62.8-169.5-45.2-79.1-8.2112.1P125 D126 V127 A134 E141 V144P125-R130 HydrophobicContact CB-CG 3.79Å; P125-R130 HydrophobicContact CG-CG 3.64Å; P125-R130 PolarHBondContact O-NH1 3.16Å; D126-R130 WeakPolarHBondContact O-CG 3.39Å; D126-R130 PolarHBondContact O-N 3Å; V127-R130 PolarHBondContact O-N 2.81Å; R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.12Å; R130-E141 HydrophobicContact CB-CG 4.1Å; R130-E141 IonicContact CZ-OE1 3.16Å; R130-E141 IonicContact NE-OE1 3.84Å; R130-E141 PolarHBondContact NE-OE1 3.4Å; R130-E141 IonicContact NH2-OE1 2.75Å; R130-E141 PolarHBondContact NH2-OE1 3.21Å; R130-V144 HydrophobicContact CB-CG1 4.21Å; R130-V144 HydrophobicContact CG-CG1 4.31Å
131E98.5Very high98Very high86 Ų8676.5 Ų76.540%0.40238%0.377SS..Hα-helixtrans-69.1-44.2173.2-71.2172.7161.200111.7V127 F128 L133 A134 L135 E141V127-E131 HydrophobicContact CG2-CG 4.44Å; V127-E131 WeakPolarHBondContact O-CG 3.36Å; V127-E131 PolarHBondContact O-N 2.87Å; F128-E131 PolarHBondContact O-N 2.68Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 2.76Å; E131-A134 WeakPolarHBondContact O-CB 3.3Å; E131-A134 PolarHBondContact O-N 3.41Å; E131-A134 VanDerWaalsContact O-N 3.14Å; E131-L135 WeakPolarHBondContact O-CG 3.12Å; E131-L135 PolarHBondContact O-N 2.84Å; E131-E141 HydrophobicContact CG-CG 4.13Å
132A98.3Very high98Very high58 Ų5872.6 Ų72.648%0.47936%0.364SS..Hα-helixtrans-60.7-41.3173.900000112.3F128 R136F128-A132 WeakPolarHBondContact O-CB 3.35Å; F128-A132 PolarHBondContact O-N 3.07Å; A132-R136 VanDerWaalsContact O-CB 3.26Å; A132-R136 WeakPolarHBondContact O-CB 3.35Å; A132-R136 PolarHBondContact O-N 2.93Å
133L98.3Very high98Very high15 Ų1574.1 Ų74.18%0.07936%0.364CS..Hα-helixtrans-67-37.9172.4-73.2168.5000112.5E114 A118 M129 E131 L137 V144 F148E114-L133 HydrophobicContact CG-CD2 4.36Å; A118-L133 HydrophobicContact CB-CD1 3.78Å; A118-L133 HydrophobicContact CB-CD2 3.96Å; A118-L133 HydrophobicContact CB-CG 4.49Å; M129-L133 WeakPolarHBondContact O-CB 3.44Å; M129-L133 VanDerWaalsContact O-CG 3.27Å; M129-L133 WeakPolarHBondContact O-CG 3.49Å; M129-L133 PolarHBondContact O-N 3.22Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 2.76Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.39Å; L133-L137 VanDerWaalsContact O-N 3.14Å; L133-V144 HydrophobicContact CB-CG1 4.25Å; L133-V144 HydrophobicContact CD1-CG1 4.39Å; L133-F148 HydrophobicContact CD1-CE2 4.07Å; L133-F148 HydrophobicContact CD1-CZ 4.24Å
134A98.4Very high98Very high6 Ų671.1 Ų71.15%0.0535%0.35CS..Hα-helixtrans-62.3-47.717700000111.4R130 E131 L137 D138 L139 E141 V144R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.12Å; E131-A134 WeakPolarHBondContact O-CB 3.3Å; E131-A134 PolarHBondContact O-N 3.41Å; E131-A134 VanDerWaalsContact O-N 3.14Å; A134-L137 PolarHBondContact O-N 3.06Å; A134-D138 PolarHBondContact O-N 3.43Å; A134-L139 CarbonylContact C-O 3.54Å; A134-L139 VanDerWaalsContact CB-O 3.3Å; A134-L139 WeakPolarHBondContact CB-O 3.28Å; A134-L139 PolarHBondContact O-N 2.92Å; A134-L139 VanDerWaalsContact O-O 3.14Å; A134-E141 HydrophobicContact CB-CB 4.33Å; A134-V144 HydrophobicContact CB-CG2 4.1Å
135L98.4Very high98Very high144 Ų14467 Ų6775%0.75434%0.336SS*.Hα-helixtrans-64.3-44.3175.3-68.4170.5000112.5E131 L137E131-L135 WeakPolarHBondContact O-CG 3.12Å; E131-L135 PolarHBondContact O-N 2.84Å; L135-L137 PolarHBondContact O-N 3.17Å
136R97.9Very high98.1Very high141 Ų14169.6 Ų69.653%0.53235%0.352SS..Hα-helixtrans-63.2-25.9179.1-179.6177175.394.3-4.3113.2W110 E114 A132W110-R136 WeakPolarHBondContact CH2-O 3.4Å; E114-R136 VanDerWaalsContact CD-NE 3.3Å; E114-R136 IonicContact OE1-NE 2.84Å; E114-R136 IonicContact OE1-NH2 2.68Å; E114-R136 IonicContact OE2-CZ 2.7Å; E114-R136 IonicContact OE2-NE 3.9Å; E114-R136 PolarHBondContact OE2-NE 2.76Å; E114-R136 IonicContact OE2-NH2 3.18Å; E114-R136 PolarHBondContact OE2-NH2 3.46Å; A132-R136 VanDerWaalsContact O-CB 3.26Å; A132-R136 WeakPolarHBondContact O-CB 3.35Å; A132-R136 PolarHBondContact O-N 2.93Å
137L97.9Very high98.1Very high0 Ų066.1 Ų66.10%033%0.332CS..THydrogen-bonded Turntrans-112.74.4-169.2-62.5-177.9000114.3W110 Q111 E114 L115 L133 A134 L135 L139W110-L137 HydrophobicContact CE3-CD2 4.05Å; W110-L137 HydrophobicContact CH2-CD2 3.64Å; W110-L137 HydrophobicContact CZ2-CD2 4.25Å; W110-L137 HydrophobicContact CZ3-CD2 3.51Å; Q111-L137 HydrophobicContact CG-CB 4.24Å; Q111-L137 HydrophobicContact CG-CD2 4.33Å; Q111-L137 PolarHBondContact NE2-O 3.48Å; E114-L137 HydrophobicContact CB-CD1 4.5Å; E114-L137 HydrophobicContact CB-CD2 3.99Å; E114-L137 HydrophobicContact CG-CD2 4.3Å; L115-L137 HydrophobicContact CD1-CD1 4.29Å; L115-L137 HydrophobicContact CD2-CD1 3.9Å; L115-L137 HydrophobicContact CG-CD1 3.69Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 WeakPolarHBondContact O-CG 3.28Å; L133-L137 PolarHBondContact O-N 3.39Å; L133-L137 VanDerWaalsContact O-N 3.14Å; A134-L137 PolarHBondContact O-N 3.06Å; L135-L137 PolarHBondContact O-N 3.17Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 HydrophobicContact CB-CD1 3.82Å; L137-L139 HydrophobicContact CB-CG 4.03Å; L137-L139 HydrophobicContact CD1-CD1 4.2Å; L137-L139 PolarHBondContact O-N 3.03Å
138D98.1Very high98.1Very high154 Ų15463.8 Ų63.882%0.82432%0.317SS*.THydrogen-bonded Turntrans53.147-171.4-63.7-49.1000112.8A134A134-D138 PolarHBondContact O-N 3.43Å
139L97.3Very high98.1Very high26 Ų2661 Ų6114%0.13631%0.306CS..  trans-121.9155.1179.8-66.5173.5000111T105 F107 L115 A134 L137 V144T105-L139 HydrophobicContact CG2-CD2 4.15Å; F107-L139 HydrophobicContact CD1-CD1 3.94Å; F107-L139 HydrophobicContact CD1-CD2 4.09Å; F107-L139 HydrophobicContact CE1-CD1 3.84Å; F107-L139 HydrophobicContact CE1-CD2 4.01Å; L115-L139 HydrophobicContact CD1-CD1 4.41Å; A134-L139 CarbonylContact C-O 3.54Å; A134-L139 VanDerWaalsContact CB-O 3.3Å; A134-L139 WeakPolarHBondContact CB-O 3.28Å; A134-L139 PolarHBondContact O-N 2.92Å; A134-L139 VanDerWaalsContact O-O 3.14Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 HydrophobicContact CB-CD1 3.82Å; L137-L139 HydrophobicContact CB-CG 4.03Å; L137-L139 HydrophobicContact CD1-CD1 4.2Å; L137-L139 PolarHBondContact O-N 3.03Å; L139-V144 HydrophobicContact CB-CG2 4.26Å; L139-V144 HydrophobicContact CD1-CG2 4.27Å
140I97.5Very high98.1Very high122 Ų12262 Ų6263%0.62631%0.314SS*.  trans-78.9137.5166.3-58.7167.8000108.3S142 R143 V144I140-S142 PolarHBondContact O-N 2.9Å; I140-S142 VanDerWaalsContact O-N 3.09Å; I140-R143 HydrophobicContact CB-CG 4.29Å; I140-R143 WeakPolarHBondContact O-CA 3.46Å; I140-R143 WeakPolarHBondContact O-CB 3.22Å; I140-R143 PolarHBondContact O-N 2.79Å; I140-V144 PolarHBondContact O-N 3.1Å
141E97.9Very high98Very high45 Ų4562.9 Ų62.921%0.2132%0.317CS..Hα-helixtrans-43.8-46.8178.3-175.8-77.7162.500112.4R130 E131 A134 R143 V144 Q145R130-E141 HydrophobicContact CB-CG 4.1Å; R130-E141 IonicContact CZ-OE1 3.16Å; R130-E141 IonicContact NE-OE1 3.84Å; R130-E141 PolarHBondContact NE-OE1 3.4Å; R130-E141 IonicContact NH2-OE1 2.75Å; R130-E141 PolarHBondContact NH2-OE1 3.21Å; E131-E141 HydrophobicContact CG-CG 4.13Å; A134-E141 HydrophobicContact CB-CB 4.33Å; E141-R143 PolarHBondContact O-N 3.11Å; E141-V144 CarbonylContact O-C 3.3Å; E141-V144 WeakPolarHBondContact O-CA 3.25Å; E141-V144 WeakPolarHBondContact O-CB 3.41Å; E141-V144 PolarHBondContact O-N 3.3Å; E141-Q145 PolarHBondContact O-N 3.43Å
142S97.5Very high98Very high45 Ų4561.1 Ų61.132%0.31531%0.306SS..Hα-helixtrans-59.1-26.4-179-1800000113.2I140 V146I140-S142 PolarHBondContact O-N 2.9Å; I140-S142 VanDerWaalsContact O-N 3.09Å; S142-V146 VanDerWaalsContact O-CB 3.32Å; S142-V146 WeakPolarHBondContact O-CB 3.43Å; S142-V146 WeakPolarHBondContact O-CG2 3.09Å; S142-V146 PolarHBondContact O-N 3.28Å
143R97.8Very high97.8Very high71 Ų7160.3 Ų60.327%0.26830%0.3SS..Hα-helixtrans-76.7-36.2174-54.4-57.8174.1129.7-8111.7T103 T105 I140 E141 W147T103-R143 PolarHBondContact O-NH1 2.92Å; T105-R143 VanDerWaalsContact OG1-CD 3.31Å; T105-R143 WeakPolarHBondContact OG1-CD 3.25Å; T105-R143 PolarHBondContact OG1-NH1 3.48Å; I140-R143 HydrophobicContact CB-CG 4.29Å; I140-R143 WeakPolarHBondContact O-CA 3.46Å; I140-R143 WeakPolarHBondContact O-CB 3.22Å; I140-R143 PolarHBondContact O-N 2.79Å; E141-R143 PolarHBondContact O-N 3.11Å; R143-W147 VanDerWaalsContact O-CB 3.28Å; R143-W147 WeakPolarHBondContact O-CB 3.39Å; R143-W147 PolarHBondContact O-N 3.44Å
144V98.3Very high97.6Very high0 Ų066.9 Ų66.90%033%0.328CS..Hα-helixtrans-63.9-49.9169-178.50000109.7L115 R130 L133 A134 L139 I140 E141 V146 W147 F148L115-V144 HydrophobicContact CD2-CG1 3.94Å; L115-V144 HydrophobicContact CD2-CG2 4.48Å; R130-V144 HydrophobicContact CB-CG1 4.21Å; R130-V144 HydrophobicContact CG-CG1 4.31Å; L133-V144 HydrophobicContact CB-CG1 4.25Å; L133-V144 HydrophobicContact CD1-CG1 4.39Å; A134-V144 HydrophobicContact CB-CG2 4.1Å; L139-V144 HydrophobicContact CB-CG2 4.26Å; L139-V144 HydrophobicContact CD1-CG2 4.27Å; I140-V144 PolarHBondContact O-N 3.1Å; E141-V144 CarbonylContact O-C 3.3Å; E141-V144 WeakPolarHBondContact O-CA 3.25Å; E141-V144 WeakPolarHBondContact O-CB 3.41Å; E141-V144 PolarHBondContact O-N 3.3Å; V144-V146 PolarHBondContact O-N 3.43Å; V144-W147 WeakPolarHBondContact O-CB 3.42Å; V144-W147 PolarHBondContact O-N 2.71Å; V144-W147 VanDerWaalsContact O-N 3.11Å; V144-F148 HydrophobicContact CG1-CD2 3.76Å; V144-F148 HydrophobicContact CG1-CE2 3.83Å; V144-F148 WeakPolarHBondContact O-CD2 3.39Å; V144-F148 PolarHBondContact O-N 3.15Å
145Q98.2Very high97.4Very high72 Ų7271.9 Ų71.934%0.33635%0.346SS..Hα-helixtrans-53.4-50176.8-164.9-15337.600112.1E141 F148 Q149E141-Q145 PolarHBondContact O-N 3.43Å; Q145-F148 PolarHBondContact O-N 3.15Å; Q145-Q149 WeakPolarHBondContact O-CG 3.38Å; Q145-Q149 PolarHBondContact O-N 3.22Å
146V98.1Very high97.1Very high62 Ų6271.2 Ų71.238%0.37633%0.333SS..Hα-helixtrans-68-35.5177.3168.60000112S142 V144 Q149 N150S142-V146 VanDerWaalsContact O-CB 3.32Å; S142-V146 WeakPolarHBondContact O-CB 3.43Å; S142-V146 WeakPolarHBondContact O-CG2 3.09Å; S142-V146 PolarHBondContact O-N 3.28Å; V144-V146 PolarHBondContact O-N 3.43Å; V146-Q149 PolarHBondContact O-N 3.36Å; V146-N150 WeakPolarHBondContact CG1-ND2 3.43Å; V146-N150 PolarHBondContact O-N 2.91Å; V146-N150 PolarHBondContact O-ND2 3.12Å
147W98.2Very high96.5Very high25 Ų2570.2 Ų70.210%0.09533%0.332CS..Hα-helixtrans-61.4-48.2173.4-174.8105.9000110.9F107 L112 L115 E116 F119 R143 V144 Q149 N150 R151F107-W147 AromaticContact CE2-CD1 3.77Å; F107-W147 HydrophobicContact CZ-CB 4.27Å; F107-W147 AromaticContact CZ-CD1 3.93Å; L112-W147 VanDerWaalsContact CD2-NE1 3.26Å; L115-W147 VanDerWaalsContact C-CH2 3.49Å; L115-W147 HydrophobicContact CB-CD2 4.06Å; L115-W147 HydrophobicContact CB-CE3 4.06Å; L115-W147 HydrophobicContact CB-CH2 3.74Å; L115-W147 HydrophobicContact CB-CZ2 3.7Å; L115-W147 HydrophobicContact CB-CZ3 3.91Å; L115-W147 HydrophobicContact CD1-CD2 3.97Å; L115-W147 HydrophobicContact CD1-CG 3.93Å; L115-W147 HydrophobicContact CD2-CE3 4.42Å; L115-W147 HydrophobicContact CG-CD2 4.44Å; L115-W147 WeakPolarHBondContact O-CH2 3.43Å; L115-W147 WeakPolarHBondContact O-CZ3 3.34Å; E116-W147 HydrophobicContact CG-CH2 3.75Å; E116-W147 HydrophobicContact CG-CZ2 3.7Å; F119-W147 HydrophobicContact CB-CH2 4.23Å; F119-W147 HydrophobicContact CB-CZ3 4.09Å; F119-W147 HydrophobicContact CD2-CZ3 4.36Å; F119-W147 HydrophobicContact CG-CZ3 4.44Å; R143-W147 VanDerWaalsContact O-CB 3.28Å; R143-W147 WeakPolarHBondContact O-CB 3.39Å; R143-W147 PolarHBondContact O-N 3.44Å; V144-W147 WeakPolarHBondContact O-CB 3.42Å; V144-W147 PolarHBondContact O-N 2.71Å; V144-W147 VanDerWaalsContact O-N 3.11Å; W147-Q149 PolarHBondContact O-N 3.01Å; W147-N150 PolarHBondContact O-N 3.43Å; W147-N150 VanDerWaalsContact O-N 3.17Å; W147-R151 HydrophobicContact CE3-CB 4.01Å; W147-R151 HydrophobicContact CH2-CB 4.04Å; W147-R151 HydrophobicContact CH2-CG 3.72Å; W147-R151 HydrophobicContact CZ2-CG 4.47Å; W147-R151 HydrophobicContact CZ3-CB 3.74Å; W147-R151 HydrophobicContact CZ3-CG 3.77Å; W147-R151 WeakPolarHBondContact O-CB 3.47Å; W147-R151 PolarHBondContact O-N 3.19Å
148F98.6Very high95.7Very high1 Ų178.2 Ų78.20%0.00437%0.367CS..Hα-helixtrans-63.5-38.7178.8-90.9-93.1000112.6L115 A118 F119 P125 L133 V144 Q145 R151 R152L115-F148 HydrophobicContact CD2-CD2 4.49Å; L115-F148 HydrophobicContact CD2-CE2 3.84Å; A118-F148 HydrophobicContact CB-CZ 4.29Å; F119-F148 HydrophobicContact CB-CE1 3.93Å; F119-F148 HydrophobicContact CB-CZ 4.32Å; F119-F148 AromaticContact CD2-CD1 3.76Å; F119-F148 HydrophobicContact CD2-CD1 3.76Å; F119-F148 AromaticContact CD2-CE1 3.76Å; F119-F148 HydrophobicContact CD2-CE1 3.76Å; F119-F148 HydrophobicContact CG-CE1 4.35Å; P125-F148 HydrophobicContact CB-CE1 4.44Å; P125-F148 VanDerWaalsContact CD-CE1 3.48Å; P125-F148 HydrophobicContact CG-CD1 3.5Å; P125-F148 HydrophobicContact CG-CD2 4Å; P125-F148 HydrophobicContact CG-CE1 3.51Å; P125-F148 HydrophobicContact CG-CE2 4.02Å; P125-F148 HydrophobicContact CG-CG 3.76Å; P125-F148 HydrophobicContact CG-CZ 3.79Å; L133-F148 HydrophobicContact CD1-CE2 4.07Å; L133-F148 HydrophobicContact CD1-CZ 4.24Å; V144-F148 HydrophobicContact CG1-CD2 3.76Å; V144-F148 HydrophobicContact CG1-CE2 3.83Å; V144-F148 WeakPolarHBondContact O-CD2 3.39Å; V144-F148 PolarHBondContact O-N 3.15Å; Q145-F148 PolarHBondContact O-N 3.15Å; F148-R151 PolarHBondContact O-N 2.95Å; F148-R152 WeakPolarHBondContact O-CB 3.32Å; F148-R152 WeakPolarHBondContact O-CG 3.33Å; F148-R152 PolarHBondContact O-N 3.08Å
149Q98.1Very high94.5Very high92 Ų9275 Ų7543%0.4335%0.347SS..Hα-helixtrans-59.3-47.8171.8-71.6174.833.500111.8Q145 V146 W147 R152 A153Q145-Q149 WeakPolarHBondContact O-CG 3.38Å; Q145-Q149 PolarHBondContact O-N 3.22Å; V146-Q149 PolarHBondContact O-N 3.36Å; W147-Q149 PolarHBondContact O-N 3.01Å; Q149-R152 PolarHBondContact O-N 3.39Å; Q149-A153 WeakPolarHBondContact O-CB 3.39Å; Q149-A153 PolarHBondContact O-N 3.19Å
150N97.7Very high92.8Very high95 Ų9579.1 Ų79.151%0.50837%0.37SS..Hα-helixtrans-65.5-38.1178.1-79.5-70.1000112.5V146 W147 A153 K154V146-N150 WeakPolarHBondContact CG1-ND2 3.43Å; V146-N150 PolarHBondContact O-N 2.91Å; V146-N150 PolarHBondContact O-ND2 3.12Å; W147-N150 PolarHBondContact O-N 3.43Å; W147-N150 VanDerWaalsContact O-N 3.17Å; N150-A153 PolarHBondContact O-N 2.9Å; N150-K154 PolarHBondContact O-N 2.87Å
151R97.8Very high91Very high60 Ų6077 Ų7723%0.22636%0.363CS..Hα-helixtrans-64.4-47.4175.7-174.568.2177.9-165.7-6.8111E116 F119 W147 F148 A153 K154 W155E116-R151 VanDerWaalsContact CD-NH2 3.32Å; E116-R151 IonicContact OE1-CZ 3.13Å; E116-R151 IonicContact OE1-NH1 2.89Å; E116-R151 PolarHBondContact OE1-NH1 3.44Å; E116-R151 IonicContact OE1-NH2 2.68Å; E116-R151 IonicContact OE2-CZ 2.71Å; E116-R151 IonicContact OE2-NH1 3.87Å; E116-R151 PolarHBondContact OE2-NH1 2.88Å; E116-R151 IonicContact OE2-NH2 3.53Å; E116-R151 PolarHBondContact OE2-NH2 3.25Å; F119-R151 HydrophobicContact CD1-CG 3.78Å; F119-R151 HydrophobicContact CD2-CB 4.11Å; F119-R151 HydrophobicContact CD2-CG 3.43Å; F119-R151 VanDerWaalsContact CD2-CG 3.43Å; F119-R151 HydrophobicContact CE1-CG 3.72Å; F119-R151 HydrophobicContact CE2-CB 3.96Å; F119-R151 HydrophobicContact CE2-CG 3.38Å; F119-R151 HydrophobicContact CG-CG 3.63Å; F119-R151 HydrophobicContact CZ-CB 4.43Å; F119-R151 HydrophobicContact CZ-CG 3.54Å; W147-R151 HydrophobicContact CE3-CB 4.01Å; W147-R151 HydrophobicContact CH2-CB 4.04Å; W147-R151 HydrophobicContact CH2-CG 3.72Å; W147-R151 HydrophobicContact CZ2-CG 4.47Å; W147-R151 HydrophobicContact CZ3-CB 3.74Å; W147-R151 HydrophobicContact CZ3-CG 3.77Å; W147-R151 WeakPolarHBondContact O-CB 3.47Å; W147-R151 PolarHBondContact O-N 3.19Å; F148-R151 PolarHBondContact O-N 2.95Å; R151-A153 VanDerWaalsContact C-N 3.32Å; R151-A153 PolarHBondContact O-N 3.38Å; R151-K154 PolarHBondContact O-N 3.08Å; R151-W155 WeakPolarHBondContact O-CB 3.48Å; R151-W155 PolarHBondContact O-N 3.3Å
152R97.4Very high89.1Confident49 Ų4983.7 Ų83.719%0.18539%0.391CS..Hα-helixtrans-60.2-37.3172.9-73.6-164.4-65.6-89.55.6113F119 H123 Y124 F148 Q149 W155 R156F119-R152 HydrophobicContact CE2-CG 3.85Å; F119-R152 HydrophobicContact CZ-CG 4.42Å; H123-R152 VanDerWaalsContact O-CD 3.29Å; H123-R152 WeakPolarHBondContact O-CD 3.4Å; H123-R152 PolarHBondContact O-NH1 3.43Å; Y124-R152 VanDerWaalsContact CE1-NE 3.27Å; F148-R152 WeakPolarHBondContact O-CB 3.32Å; F148-R152 WeakPolarHBondContact O-CG 3.33Å; F148-R152 PolarHBondContact O-N 3.08Å; Q149-R152 PolarHBondContact O-N 3.39Å; R152-W155 PolarHBondContact O-N 2.83Å; R152-R156 PolarHBondContact O-N 3.34Å
153A95.5Very high86.9Confident42 Ų4289.4 Ų89.435%0.34741%0.41SS..Hα-helixtrans-65.2-42.3176.200000112.4Q149 N150 R151 K157Q149-A153 WeakPolarHBondContact O-CB 3.39Å; Q149-A153 PolarHBondContact O-N 3.19Å; N150-A153 PolarHBondContact O-N 2.9Å; R151-A153 VanDerWaalsContact C-N 3.32Å; R151-A153 PolarHBondContact O-N 3.38Å; A153-K157 WeakPolarHBondContact O-CB 3.47Å; A153-K157 PolarHBondContact O-N 3.36Å
154K93.6Very high84.5Confident152 Ų15289.1 Ų89.166%0.66143%0.429SS*.Hα-helixtrans-64-43.1171.7-72.5179.7176.7-177.90112.2N150 R151 K157 K158N150-K154 PolarHBondContact O-N 2.87Å; R151-K154 PolarHBondContact O-N 3.08Å; K154-K157 PolarHBondContact O-N 2.97Å; K154-K158 PolarHBondContact O-N 3.24Å
155W93.1Very high82.4Confident112 Ų11296.2 Ų96.242%0.42448%0.475SS..Hα-helixtrans-59.6-53.4-179.6-176.495000111.4F119 H123 R151 R152 K157 K158 E159F119-W155 AromaticContact CE1-CD1 3.91Å; F119-W155 HydrophobicContact CE1-CG 4.43Å; F119-W155 HydrophobicContact CZ-CB 4.12Å; F119-W155 HydrophobicContact CZ-CG 4.17Å; H123-W155 AromaticContact CE1-CE2 3.74Å; H123-W155 AromaticContact CE1-CZ2 3.81Å; H123-W155 AromaticContact CE1-NE1 3.65Å; H123-W155 AromaticContact NE2-NE1 3.56Å; R151-W155 WeakPolarHBondContact O-CB 3.48Å; R151-W155 PolarHBondContact O-N 3.3Å; R152-W155 PolarHBondContact O-N 2.83Å; W155-K157 VanDerWaalsContact C-N 3.31Å; W155-K157 PolarHBondContact O-N 2.97Å; W155-K158 WeakPolarHBondContact O-CB 3.42Å; W155-K158 PolarHBondContact O-N 3.09Å; W155-E159 WeakPolarHBondContact CH2-OE2 3.44Å; W155-E159 WeakPolarHBondContact CZ3-OE2 3.43Å; W155-E159 PolarHBondContact O-N 3.4Å; W155-E159 VanDerWaalsContact O-N 3.09Å
156R92.6Very high80.1Confident130 Ų13095.9 Ų95.949%0.49149%0.492SS..Hα-helixtrans-56.7-43.8175-72.3-174.2-72.7108.3-5.8111.7R152 K158 E159 N160R152-R156 PolarHBondContact O-N 3.34Å; R156-K158 VanDerWaalsContact C-N 3.26Å; R156-K158 PolarHBondContact O-N 3.19Å; R156-E159 PolarHBondContact O-N 3.39Å; R156-E159 VanDerWaalsContact O-N 3.16Å; R156-N160 WeakPolarHBondContact O-CB 3.48Å; R156-N160 PolarHBondContact O-N 3.04Å; R156-N160 PolarHBondContact O-OD1 2.74Å
157K85.5Confident77.9Confident119 Ų119104.5 Ų104.552%0.51752%0.517SS..Hα-helixtrans-60.1-33.5177.3-170.2171.1-177.21740113.2A153 K154 W155 T161A153-K157 WeakPolarHBondContact O-CB 3.47Å; A153-K157 PolarHBondContact O-N 3.36Å; K154-K157 PolarHBondContact O-N 2.97Å; W155-K157 VanDerWaalsContact C-N 3.31Å; W155-K157 PolarHBondContact O-N 2.97Å; K157-T161 WeakPolarHBondContact O-CG2 3.46Å; K157-T161 PolarHBondContact O-N 2.98Å; K157-T161 PolarHBondContact O-OG1 2.99Å; K157-T161 VanDerWaalsContact O-OG1 3.06Å
158K81.5Confident75.6Confident168 Ų168108.4 Ų108.473%0.7355%0.546SS*.Hα-helixtrans-74.9-34176.4-174.3-179.6177.6-176.50112.7K154 W155 R156 T161K154-K158 PolarHBondContact O-N 3.24Å; W155-K158 WeakPolarHBondContact O-CB 3.42Å; W155-K158 PolarHBondContact O-N 3.09Å; R156-K158 VanDerWaalsContact C-N 3.26Å; R156-K158 PolarHBondContact O-N 3.19Å; K158-T161 PolarHBondContact O-OG1 3.36Å
159E71.4Confident73.3Confident88 Ų88109.9 Ų109.941%0.41156%0.559SS.*Hα-helixtrans-72.7-52.5175.3-172-177.4-172.600111.4W155 R156 T161 K162W155-E159 WeakPolarHBondContact CH2-OE2 3.44Å; W155-E159 WeakPolarHBondContact CZ3-OE2 3.43Å; W155-E159 PolarHBondContact O-N 3.4Å; W155-E159 VanDerWaalsContact O-N 3.09Å; R156-E159 PolarHBondContact O-N 3.39Å; R156-E159 VanDerWaalsContact O-N 3.16Å; E159-T161 PolarHBondContact O-N 2.82Å; E159-T161 VanDerWaalsContact O-N 3.12Å; E159-K162 PolarHBondContact O-N 3.03Å
160N62.8Low71Confident112 Ų112113.5 Ų113.560%0.59958%0.575SS**Hα-helixtrans-59.5-26.9-177.6-75.499.4000113.2R156 K162 K163R156-N160 WeakPolarHBondContact O-CB 3.48Å; R156-N160 PolarHBondContact O-N 3.04Å; R156-N160 PolarHBondContact O-OD1 2.74Å; N160-K162 PolarHBondContact O-N 3.09Å; N160-K163 PolarHBondContact O-N 3.32Å
161T58.9Low68.9Low78 Ų78116.1 Ų116.148%0.47959%0.589SS.*THydrogen-bonded Turntrans-67.4-8.3173.740.10000115.3K157 K158 E159 A169K157-T161 WeakPolarHBondContact O-CG2 3.46Å; K157-T161 PolarHBondContact O-N 2.98Å; K157-T161 PolarHBondContact O-OG1 2.99Å; K157-T161 VanDerWaalsContact O-OG1 3.06Å; K158-T161 PolarHBondContact O-OG1 3.36Å; E159-T161 PolarHBondContact O-N 2.82Å; E159-T161 VanDerWaalsContact O-N 3.12Å; T161-A169 HydrophobicContact CG2-CB 3.6Å
162K59.3Low67Low184 Ų184116.9 Ų116.980%0.861%0.608SS**THydrogen-bonded Turntrans-99.4-4.1176.5-72.3-166.3170.6-1660114.7E159 N160E159-K162 PolarHBondContact O-N 3.03Å; N160-K162 PolarHBondContact O-N 3.09Å
163K50.9Low64.8Low165 Ų165119.7 Ų119.772%0.71762%0.623SS**SBendtrans-133.379.8-171.8-68.7-177.8178.9170.50112.8N160N160-K163 PolarHBondContact O-N 3.32Å
164G48Very low62.8Low66 Ų66119.7 Ų119.768%0.6862%0.62SS**  trans87.8158.8161.400000117.2G166G164-G166 PolarHBondContact O-N 2.68Å
165P52.3Low61Low148 Ų148116.8 Ų116.896%0.96162%0.615SS**SBendtrans-82.5108.4-177.331.9-33.1000111.9
166G50.6Low59.2Low66 Ų66113.5 Ų113.568%0.6861%0.607SS**  trans-144.810.8-173.100000117.5G164G164-G166 PolarHBondContact O-N 2.68Å
167R52.1Low57.1Low242 Ų242114.4 Ų114.491%0.91363%0.632SS**SBendtrans64.8162.8-174.6-53.6177.2171.8-97.6-3.7114.4
168P50.2Low55.8Low107 Ų107112.5 Ų112.570%0.69563%0.634SS**  -124.8110.5-54.333.3-20.5000112.1H170P168-H170 VanDerWaalsContact C-N 3.33Å; P168-H170 PolarHBondContact O-N 2.89Å; P168-H170 VanDerWaalsContact O-N 3.13Å
169A49.8Very low54.8Low33 Ų33107.3 Ų107.327%0.27363%0.627SS.*  trans-83.276.7164.500000110.5T161 N171 A172T161-A169 HydrophobicContact CG2-CB 3.6Å; A169-N171 PolarHBondContact O-N 2.7Å; A169-A172 HydrophobicContact CB-CB 4.34Å; A169-A172 PolarHBondContact O-N 2.94Å
170H50.4Low54.5Low167 Ų167108.9 Ų108.977%0.77364%0.635SS**THydrogen-bonded Turntrans-55.212.4-176.6-169.3-76.3000116.5P168P168-H170 VanDerWaalsContact C-N 3.33Å; P168-H170 PolarHBondContact O-N 2.89Å; P168-H170 VanDerWaalsContact O-N 3.13Å
171N52.9Low54.6Low151 Ų151108.8 Ų108.881%0.80764%0.64SS**THydrogen-bonded Turntrans-142.29.9-176.7-90.3-103.3000113.5A169A169-N171 PolarHBondContact O-N 2.7Å
172A58.4Low54.9Low76 Ų76106.5 Ų106.563%0.62862%0.624SS**SBendtrans-95.1-38.4-177.700000113.9A169A169-A172 HydrophobicContact CB-CB 4.34Å; A169-A172 PolarHBondContact O-N 2.94Å
173H51.5Low55.8Low107 Ų107102.3 Ų102.350%0.49561%0.611SS.*SBendtrans-153.6147.7-179.7-157.3-95.7000108.3T175 I187H173-T175 PolarHBondContact O-N 3.29Å; H173-I187 VanDerWaalsContact CE1-CD1 3.5Å; H173-I187 WeakPolarHBondContact CE1-CD1 3.49Å
174P52.7Low57Low43 Ų4399.2 Ų99.228%0.27961%0.607SS.*  trans-68.3126.5161.432.2-34.1000108.3M182 I187P174-M182 VanDerWaalsContact C-CG 3.47Å; P174-M182 HydrophobicContact CB-CG 3.98Å; P174-M182 HydrophobicContact CG-CG 4.26Å; P174-M182 WeakPolarHBondContact O-CG 3.42Å; P174-I187 HydrophobicContact CG-CG1 4.2Å
175T55.5Low58.5Low91 Ų91103.5 Ų103.556%0.55861%0.61SS**BIsolated β-bridgetrans-119.9149.4171.257.30000108.3H173H173-T175 PolarHBondContact O-N 3.29Å
176T55.1Low59.8Low43 Ų4399.8 Ų99.826%0.26458%0.58SS.*  trans-64.5166.8171.759.70000110.6S178 G179 E180 M182T176-S178 WeakPolarHBondContact CB-OG 3.44Å; T176-S178 PolarHBondContact O-N 3.19Å; T176-S178 PolarHBondContact OG1-N 3.26Å; T176-S178 PolarHBondContact OG1-OG 3.22Å; T176-G179 PolarHBondContact O-N 2.95Å; T176-G179 VanDerWaalsContact O-N 3.16Å; T176-G179 PolarHBondContact OG1-N 3.2Å; T176-E180 PolarHBondContact N-O 3.12Å; T176-E180 PolarHBondContact OG1-N 2.9Å; T176-E180 PolarHBondContact OG1-O 3.04Å; T176-M182 HydrophobicContact CG2-CG 4.39Å; T176-M182 HydrophobicContact CG2-SD 3.55Å; T176-M182 VanDerWaalsContact CG2-SD 3.55Å
177C49.7Very low61.1Low148 Ų14898.7 Ų98.7100%156%0.558SS**THydrogen-bonded Turntrans-67.8-18.4171.2-64.10000113.2G179C177-G179 VanDerWaalsContact C-N 3.32Å
178S58.1Low62.7Low80 Ų8090.1 Ų90.156%0.55954%0.538SS*.THydrogen-bonded Turntrans-75.8-17.3171.448.50000113.3T176 E180T176-S178 WeakPolarHBondContact CB-OG 3.44Å; T176-S178 PolarHBondContact O-N 3.19Å; T176-S178 PolarHBondContact OG1-N 3.26Å; T176-S178 PolarHBondContact OG1-OG 3.22Å; S178-E180 VanDerWaalsContact C-N 3.31Å; S178-E180 VanDerWaalsContact CB-OE2 3.23Å; S178-E180 WeakPolarHBondContact CB-OE2 3.41Å; S178-E180 PolarHBondContact OG-OE2 3.37Å
179G59.4Low64.4Low58 Ų5893 Ų9360%0.59854%0.536SS*.SBendtrans85.52.6-176.300000114.2T176 C177T176-G179 PolarHBondContact O-N 2.95Å; T176-G179 VanDerWaalsContact O-N 3.16Å; T176-G179 PolarHBondContact OG1-N 3.2Å; C177-G179 VanDerWaalsContact C-N 3.32Å
180E66.2Low65.8Low122 Ų12297 Ų9757%0.5754%0.544SS*.SBendtrans-68.1153.6168.5-68.9159.4137.400110.4T176 S178 M182T176-E180 PolarHBondContact N-O 3.12Å; T176-E180 PolarHBondContact OG1-N 2.9Å; T176-E180 PolarHBondContact OG1-O 3.04Å; S178-E180 VanDerWaalsContact C-N 3.31Å; S178-E180 VanDerWaalsContact CB-OE2 3.23Å; S178-E180 WeakPolarHBondContact CB-OE2 3.41Å; S178-E180 PolarHBondContact OG-OE2 3.37Å; E180-M182 PolarHBondContact O-N 3.16Å
181P64.4Low67.6Low109 Ų10992.6 Ų92.671%0.70852%0.523SS*.BIsolated β-bridgetrans-59.4134.4168.127.2-33.6000109.1D183P181-D183 PolarHBondContact O-N 2.91Å
182M65Low69.3Low30 Ų3090.8 Ų90.815%0.14851%0.513CS..PPolyproline II helixtrans-58.9136.3166.7-70.5-75-48.800108.6P174 T176 E180 E186 I187P174-M182 VanDerWaalsContact C-CG 3.47Å; P174-M182 HydrophobicContact CB-CG 3.98Å; P174-M182 HydrophobicContact CG-CG 4.26Å; P174-M182 WeakPolarHBondContact O-CG 3.42Å; T176-M182 HydrophobicContact CG2-CG 4.39Å; T176-M182 HydrophobicContact CG2-SD 3.55Å; T176-M182 VanDerWaalsContact CG2-SD 3.55Å; E180-M182 PolarHBondContact O-N 3.16Å; M182-E186 HydrophobicContact CE-CB 4.12Å; M182-E186 HydrophobicContact CE-CG 3.35Å; M182-I187 HydrophobicContact CB-CD1 3.97Å; M182-I187 HydrophobicContact CB-CG1 3.76Å; M182-I187 WeakPolarHBondContact O-CD1 3.39Å
183D79.6Confident70.7Confident96 Ų9690 Ų9051%0.51350%0.498SS..PPolyproline II helixtrans-57.2136.7174.8-178.287.7000111.2P181 E185 E186 I187P181-D183 PolarHBondContact O-N 2.91Å; D183-E185 PolarHBondContact O-N 3.13Å; D183-E185 VanDerWaalsContact OD2-CB 3.25Å; D183-E185 WeakPolarHBondContact OD2-CB 3.46Å; D183-E185 PolarHBondContact OD2-N 3.41Å; D183-E186 PolarHBondContact O-N 3.43Å; D183-I187 WeakPolarHBondContact O-CG1 3.23Å; D183-I187 PolarHBondContact O-N 2.93Å
184P75.9Confident72.5Confident100 Ų10091 Ų9165%0.64950%0.497SS*.Hα-helixtrans-58.1-28.9-177.622.1-34.5000114.6I187 A188P184-I187 PolarHBondContact O-N 3.06Å; P184-A188 WeakPolarHBondContact O-CB 3.23Å; P184-A188 PolarHBondContact O-N 3.46Å
185E79.7Confident74.4Confident156 Ų15693.9 Ų93.973%0.72951%0.51SS*.Hα-helixtrans-72-42.5178.3-163.9176.6169.100111.2D183 I187 A188 R189D183-E185 PolarHBondContact O-N 3.13Å; D183-E185 VanDerWaalsContact OD2-CB 3.25Å; D183-E185 WeakPolarHBondContact OD2-CB 3.46Å; D183-E185 PolarHBondContact OD2-N 3.41Å; E185-I187 VanDerWaalsContact C-N 3.3Å; E185-I187 PolarHBondContact O-N 2.7Å; E185-A188 PolarHBondContact O-N 3.16Å; E185-R189 VanDerWaalsContact O-CB 3.31Å; E185-R189 WeakPolarHBondContact O-CB 3.07Å; E185-R189 PolarHBondContact O-N 3.06Å
186E78.4Confident76.2Confident71 Ų7195.1 Ų95.133%0.33251%0.51SS..Hα-helixtrans-68-29.2173.8-178.961.8-156.300111.7M182 D183 R189 R190M182-E186 HydrophobicContact CE-CB 4.12Å; M182-E186 HydrophobicContact CE-CG 3.35Å; D183-E186 PolarHBondContact O-N 3.43Å; E186-R189 IonicContact OE1-NH1 2.61Å; E186-R189 VanDerWaalsContact OE2-CD 3.29Å; E186-R189 WeakPolarHBondContact OE2-CD 3.5Å; E186-R189 IonicContact OE2-CZ 3.71Å; E186-R189 IonicContact OE2-NE 2.73Å; E186-R189 IonicContact OE2-NH1 2.71Å; E186-R189 PolarHBondContact OE2-NH1 3.15Å; E186-R190 VanDerWaalsContact O-CB 3.27Å; E186-R190 WeakPolarHBondContact O-CB 3.48Å; E186-R190 PolarHBondContact O-N 2.98Å; E186-R190 VanDerWaalsContact O-N 3.1Å
187I78Confident78Confident43 Ų4399.1 Ų99.122%0.22152%0.523CS..Hα-helixtrans-65.6-49.1168.8-63.5171.4000110.6H173 P174 M182 D183 P184 E185 R189 R190 E191H173-I187 VanDerWaalsContact CE1-CD1 3.5Å; H173-I187 WeakPolarHBondContact CE1-CD1 3.49Å; P174-I187 HydrophobicContact CG-CG1 4.2Å; M182-I187 HydrophobicContact CB-CD1 3.97Å; M182-I187 HydrophobicContact CB-CG1 3.76Å; M182-I187 WeakPolarHBondContact O-CD1 3.39Å; D183-I187 WeakPolarHBondContact O-CG1 3.23Å; D183-I187 PolarHBondContact O-N 2.93Å; P184-I187 PolarHBondContact O-N 3.06Å; E185-I187 VanDerWaalsContact C-N 3.3Å; E185-I187 PolarHBondContact O-N 2.7Å; I187-R189 PolarHBondContact O-N 3.46Å; I187-R190 PolarHBondContact O-N 3.19Å; I187-R190 VanDerWaalsContact O-N 3.16Å; I187-E191 PolarHBondContact O-N 3.02Å
188A85.3Confident80.1Confident61 Ų6197.8 Ų97.850%0.50450%0.501SS..Hα-helixtrans-60.7-4618000000111.6P184 E185 R190 E191 L192P184-A188 WeakPolarHBondContact O-CB 3.23Å; P184-A188 PolarHBondContact O-N 3.46Å; E185-A188 PolarHBondContact O-N 3.16Å; A188-R190 VanDerWaalsContact C-N 3.28Å; A188-R190 PolarHBondContact O-N 2.9Å; A188-E191 PolarHBondContact O-N 3.09Å; A188-L192 PolarHBondContact O-N 3.15Å
189R86.2Confident81.8Confident169 Ų169101 Ų10164%0.63850%0.504SS*.Hα-helixtrans-55-41.3173.1-174.2-171.9-179-158.75.7112.4E185 E186 I187 L192 D193E185-R189 VanDerWaalsContact O-CB 3.31Å; E185-R189 WeakPolarHBondContact O-CB 3.07Å; E185-R189 PolarHBondContact O-N 3.06Å; E186-R189 IonicContact OE1-NH1 2.61Å; E186-R189 VanDerWaalsContact OE2-CD 3.29Å; E186-R189 WeakPolarHBondContact OE2-CD 3.5Å; E186-R189 IonicContact OE2-CZ 3.71Å; E186-R189 IonicContact OE2-NE 2.73Å; E186-R189 IonicContact OE2-NH1 2.71Å; E186-R189 PolarHBondContact OE2-NH1 3.15Å; I187-R189 PolarHBondContact O-N 3.46Å; R189-L192 WeakPolarHBondContact O-CB 3.43Å; R189-L192 PolarHBondContact O-N 3Å; R189-D193 PolarHBondContact O-N 3.42Å
190R79.3Confident83.3Confident117 Ų117107 Ų10744%0.44251%0.509SS..Hα-helixtrans-73.4-30.5178.9-167.9173-169.3169.45.1113.5E186 I187 A188 R194E186-R190 VanDerWaalsContact O-CB 3.27Å; E186-R190 WeakPolarHBondContact O-CB 3.48Å; E186-R190 PolarHBondContact O-N 2.98Å; E186-R190 VanDerWaalsContact O-N 3.1Å; I187-R190 PolarHBondContact O-N 3.19Å; I187-R190 VanDerWaalsContact O-N 3.16Å; A188-R190 VanDerWaalsContact C-N 3.28Å; A188-R190 PolarHBondContact O-N 2.9Å; R190-R194 WeakPolarHBondContact O-CD 3.37Å; R190-R194 VanDerWaalsContact O-CG 3.29Å; R190-R194 WeakPolarHBondContact O-CG 3.29Å; R190-R194 PolarHBondContact O-N 3.13Å
191E87.7Confident84.6Confident73 Ų73108.6 Ų108.634%0.34151%0.514SS..Hα-helixtrans-73.6-33.5169.3-75.1-52.612600112.4I187 A188 R194 L195I187-E191 PolarHBondContact O-N 3.02Å; A188-E191 PolarHBondContact O-N 3.09Å; E191-R194 WeakPolarHBondContact O-CB 3.42Å; E191-R194 PolarHBondContact O-N 3.34Å; E191-R194 WeakPolarHBondContact OE1-CD 3.45Å; E191-R194 IonicContact OE1-CZ 2.7Å; E191-R194 IonicContact OE1-NE 3.92Å; E191-R194 IonicContact OE1-NH1 3.56Å; E191-R194 PolarHBondContact OE1-NH1 3.34Å; E191-L195 WeakPolarHBondContact O-CG 3.1Å; E191-L195 PolarHBondContact O-N 3.2Å
192L89.8Confident85.9Confident113 Ų113110.2 Ų110.259%0.59251%0.512SS*.Hα-helixtrans-61.4-49.5172.7-157.6169.3000110.8A188 R189 R194 L195 E196A188-L192 PolarHBondContact O-N 3.15Å; R189-L192 WeakPolarHBondContact O-CB 3.43Å; R189-L192 PolarHBondContact O-N 3Å; L192-R194 VanDerWaalsContact C-N 3.27Å; L192-R194 PolarHBondContact O-N 3.24Å; L192-L195 PolarHBondContact O-N 3.16Å; L192-E196 PolarHBondContact O-N 3.3Å
193D87.8Confident87.1Confident60 Ų60114.2 Ų114.232%0.32153%0.53SS..Hα-helixtrans-53.3-41.5171.7170.789.6000112.7R189 K197R189-D193 PolarHBondContact O-N 3.42Å; D193-K197 WeakPolarHBondContact O-CB 3.5Å; D193-K197 VanDerWaalsContact O-CG 3.29Å; D193-K197 WeakPolarHBondContact O-CG 3.29Å; D193-K197 PolarHBondContact O-N 2.7Å; D193-K197 WeakPolarHBondContact OD1-CE 3.41Å; D193-K197 IonicContact OD1-NZ 3.72Å; D193-K197 PolarHBondContact OD1-NZ 3.47Å; D193-K197 WeakPolarHBondContact OD2-CE 3.07Å; D193-K197 IonicContact OD2-NZ 2.65Å; D193-K197 PolarHBondContact OD2-NZ 3.2Å
194R88.3Confident87.5Confident127 Ų127119.3 Ų119.348%0.47954%0.542SS..Hα-helixtrans-66.9-38175.6-76.9168.6155.1-175.5-4.4112.6R190 E191 L192 K198R190-R194 WeakPolarHBondContact O-CD 3.37Å; R190-R194 VanDerWaalsContact O-CG 3.29Å; R190-R194 WeakPolarHBondContact O-CG 3.29Å; R190-R194 PolarHBondContact O-N 3.13Å; E191-R194 WeakPolarHBondContact O-CB 3.42Å; E191-R194 PolarHBondContact O-N 3.34Å; E191-R194 WeakPolarHBondContact OE1-CD 3.45Å; E191-R194 IonicContact OE1-CZ 2.7Å; E191-R194 IonicContact OE1-NE 3.92Å; E191-R194 IonicContact OE1-NH1 3.56Å; E191-R194 PolarHBondContact OE1-NH1 3.34Å; L192-R194 VanDerWaalsContact C-N 3.27Å; L192-R194 PolarHBondContact O-N 3.24Å; R194-K198 WeakPolarHBondContact O-CD 3.31Å; R194-K198 VanDerWaalsContact O-CG 3.23Å; R194-K198 WeakPolarHBondContact O-CG 3.25Å; R194-K198 PolarHBondContact O-N 3.43Å; R194-K198 VanDerWaalsContact O-N 3.11Å
195L94Very high88.2Confident105 Ų105123.8 Ų123.855%0.5555%0.546SS..Hα-helixtrans-71.2-41.8176.9-72.2167.1000111.6E191 L192 K198 K199E191-L195 WeakPolarHBondContact O-CG 3.1Å; E191-L195 PolarHBondContact O-N 3.2Å; L192-L195 PolarHBondContact O-N 3.16Å; L195-K198 HydrophobicContact CD2-CD 4.31Å; L195-K198 WeakPolarHBondContact O-CB 3.31Å; L195-K198 PolarHBondContact O-N 3.4Å; L195-K199 WeakPolarHBondContact O-CB 3.23Å; L195-K199 PolarHBondContact O-N 2.83Å
196E91.6Very high88.6Confident117 Ų117121.3 Ų121.355%0.54754%0.538SS..Hα-helixtrans-61.8-45.5174-172.9-178.1-109.500111.4L192 K198 K199 R200L192-E196 PolarHBondContact O-N 3.3Å; E196-K198 VanDerWaalsContact C-N 3.28Å; E196-K198 PolarHBondContact O-N 3.35Å; E196-K199 WeakPolarHBondContact O-CB 3.46Å; E196-K199 PolarHBondContact O-N 3.07Å; E196-K199 VanDerWaalsContact O-N 3.14Å; E196-R200 WeakPolarHBondContact O-CB 3.43Å; E196-R200 PolarHBondContact O-N 2.7Å
197K92.9Very high88.8Confident126 Ų126123.5 Ų123.555%0.54855%0.551SS.*Hα-helixtrans-63-31.6175.5-74.3168.1-175163.10113D193 K201D193-K197 WeakPolarHBondContact O-CB 3.5Å; D193-K197 VanDerWaalsContact O-CG 3.29Å; D193-K197 WeakPolarHBondContact O-CG 3.29Å; D193-K197 PolarHBondContact O-N 2.7Å; D193-K197 WeakPolarHBondContact OD1-CE 3.41Å; D193-K197 IonicContact OD1-NZ 3.72Å; D193-K197 PolarHBondContact OD1-NZ 3.47Å; D193-K197 WeakPolarHBondContact OD2-CE 3.07Å; D193-K197 IonicContact OD2-NZ 2.65Å; D193-K197 PolarHBondContact OD2-NZ 3.2Å; K197-K201 VanDerWaalsContact O-CB 3.31Å; K197-K201 WeakPolarHBondContact O-CB 3.45Å; K197-K201 PolarHBondContact O-N 2.53Å
198K93.6Very high89.2Confident121 Ų121129.3 Ų129.353%0.52658%0.575SS.*Hα-helixtrans-67.6-50.3169.4-71.4162.7-172.21680110.8R194 L195 E196 K201 Q202R194-K198 WeakPolarHBondContact O-CD 3.31Å; R194-K198 VanDerWaalsContact O-CG 3.23Å; R194-K198 WeakPolarHBondContact O-CG 3.25Å; R194-K198 PolarHBondContact O-N 3.43Å; R194-K198 VanDerWaalsContact O-N 3.11Å; L195-K198 HydrophobicContact CD2-CD 4.31Å; L195-K198 WeakPolarHBondContact O-CB 3.31Å; L195-K198 PolarHBondContact O-N 3.4Å; E196-K198 VanDerWaalsContact C-N 3.28Å; E196-K198 PolarHBondContact O-N 3.35Å; K198-K201 PolarHBondContact O-N 3.45Å; K198-K201 VanDerWaalsContact O-N 3.14Å; K198-Q202 PolarHBondContact O-N 2.65Å
199K94.5Very high88.8Confident147 Ų147129.8 Ų129.864%0.63957%0.574SS**Hα-helixtrans-54.7-54.6178.3-176.7-176.5176.1-1740111.3L195 E196 K201 Q202 E203L195-K199 WeakPolarHBondContact O-CB 3.23Å; L195-K199 PolarHBondContact O-N 2.83Å; E196-K199 WeakPolarHBondContact O-CB 3.46Å; E196-K199 PolarHBondContact O-N 3.07Å; E196-K199 VanDerWaalsContact O-N 3.14Å; K199-K201 PolarHBondContact O-N 3.18Å; K199-Q202 WeakPolarHBondContact O-CB 3.28Å; K199-Q202 PolarHBondContact O-N 2.98Å; K199-E203 WeakPolarHBondContact O-CB 3.36Å; K199-E203 PolarHBondContact O-N 3.42Å
200R91.1Very high88.4Confident185 Ų185127.7 Ų127.770%0.69857%0.572SS**Hα-helixtrans-59.8-30.7178.4-167.1175.5-178.2-175.11.5113.1E196 R204E196-R200 WeakPolarHBondContact O-CB 3.43Å; E196-R200 PolarHBondContact O-N 2.7Å; R200-R204 VanDerWaalsContact O-CB 3.25Å; R200-R204 WeakPolarHBondContact O-CB 3.45Å; R200-R204 PolarHBondContact O-N 3.43Å
201K94.1Very high87.9Confident154 Ų154126.5 Ų126.567%0.6757%0.574SS**Hα-helixtrans-76.6-33.3174.7-173.6174.4-179.1177.90112.9K197 K198 K199 R205K197-K201 VanDerWaalsContact O-CB 3.31Å; K197-K201 WeakPolarHBondContact O-CB 3.45Å; K197-K201 PolarHBondContact O-N 2.53Å; K198-K201 PolarHBondContact O-N 3.45Å; K198-K201 VanDerWaalsContact O-N 3.14Å; K199-K201 PolarHBondContact O-N 3.18Å; K201-R205 WeakPolarHBondContact O-CG 3.48Å; K201-R205 PolarHBondContact O-N 3.11Å
202Q91.7Very high86.8Confident143 Ų143131.3 Ų131.367%0.66859%0.594SS**Hα-helixtrans-72-45.3172.9179.9176.1-5.200111.1K198 K199 R205 L206K198-Q202 PolarHBondContact O-N 2.65Å; K199-Q202 WeakPolarHBondContact O-CB 3.28Å; K199-Q202 PolarHBondContact O-N 2.98Å; Q202-R205 WeakPolarHBondContact O-CA 3.31Å; Q202-R205 VanDerWaalsContact O-CB 3.31Å; Q202-R205 WeakPolarHBondContact O-CB 3.45Å; Q202-R205 PolarHBondContact O-N 3.21Å; Q202-R205 VanDerWaalsContact O-N 3.08Å; Q202-L206 PolarHBondContact O-N 3.21Å
203E90.3Very high85.3Confident114 Ų114133.4 Ų133.453%0.53361%0.605SS.*Hα-helixtrans-57.9-49.1173.4-179.7179.7-153.400111.7K199 R205 L206 L207K199-E203 WeakPolarHBondContact O-CB 3.36Å; K199-E203 PolarHBondContact O-N 3.42Å; E203-R205 PolarHBondContact O-N 3.33Å; E203-L206 PolarHBondContact O-N 2.94Å; E203-L206 VanDerWaalsContact O-N 3.11Å; E203-L207 WeakPolarHBondContact O-CB 3.29Å; E203-L207 PolarHBondContact O-N 3.28Å
204R87.7Confident83.8Confident203 Ų203135.7 Ų135.777%0.76662%0.621SS**Hα-helixtrans-61.6-26.6174.4-172175.5-174.7-120.93.6113.2R200 K208R200-R204 VanDerWaalsContact O-CB 3.25Å; R200-R204 WeakPolarHBondContact O-CB 3.45Å; R200-R204 PolarHBondContact O-N 3.43Å; R204-K208 VanDerWaalsContact O-CB 3.28Å; R204-K208 WeakPolarHBondContact O-CB 3.27Å; R204-K208 PolarHBondContact O-N 2.98Å
205R90.4Very high82Confident194 Ų194134 Ų13473%0.73263%0.629SS**Hα-helixtrans-72.9-49.3170.9-84.3176.6144.3-162.4-8.8111.1K201 Q202 E203 L207 K208 S209K201-R205 WeakPolarHBondContact O-CG 3.48Å; K201-R205 PolarHBondContact O-N 3.11Å; Q202-R205 WeakPolarHBondContact O-CA 3.31Å; Q202-R205 VanDerWaalsContact O-CB 3.31Å; Q202-R205 WeakPolarHBondContact O-CB 3.45Å; Q202-R205 PolarHBondContact O-N 3.21Å; Q202-R205 VanDerWaalsContact O-N 3.08Å; E203-R205 PolarHBondContact O-N 3.33Å; R205-L207 PolarHBondContact O-N 3.03Å; R205-K208 CarbonylContact O-C 3.45Å; R205-K208 PolarHBondContact O-N 2.86Å; R205-K208 VanDerWaalsContact O-N 3.15Å; R205-S209 PolarHBondContact O-N 3.14Å; R205-S209 PolarHBondContact O-OG 3.21Å
206L87.6Confident80.2Confident104 Ų104131.7 Ų131.755%0.54563%0.63SS.*Hα-helixtrans-59.3-47179.1-177.663.4000111.6Q202 E203 K208 S209 Q210Q202-L206 PolarHBondContact O-N 3.21Å; E203-L206 PolarHBondContact O-N 2.94Å; E203-L206 VanDerWaalsContact O-N 3.11Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-K208 PolarHBondContact O-N 3.14Å; L206-S209 WeakPolarHBondContact CA-OG 3.42Å; L206-S209 PolarHBondContact O-N 2.71Å; L206-S209 VanDerWaalsContact O-N 3.17Å; L206-S209 PolarHBondContact O-OG 2.99Å; L206-Q210 WeakPolarHBondContact O-CG 3.25Å; L206-Q210 PolarHBondContact O-N 2.61Å
207L83Confident78.4Confident117 Ų117133.2 Ų133.261%0.61364%0.642SS**Hα-helixtrans-63-36.2176.6-16471.1000111.6E203 R205 N211E203-L207 WeakPolarHBondContact O-CB 3.29Å; E203-L207 PolarHBondContact O-N 3.28Å; R205-L207 PolarHBondContact O-N 3.03Å; L207-N211 VanDerWaalsContact O-CB 3.27Å; L207-N211 WeakPolarHBondContact O-CB 3.27Å; L207-N211 PolarHBondContact O-N 3.28Å
208K85.5Confident76.6Confident166 Ų166134.1 Ų134.172%0.72265%0.652SS**Hα-helixtrans-74-27.1175-173.9156.5-177.3160.40113.4R204 R205 L206 K212R204-K208 VanDerWaalsContact O-CB 3.28Å; R204-K208 WeakPolarHBondContact O-CB 3.27Å; R204-K208 PolarHBondContact O-N 2.98Å; R205-K208 CarbonylContact O-C 3.45Å; R205-K208 PolarHBondContact O-N 2.86Å; R205-K208 VanDerWaalsContact O-N 3.15Å; L206-K208 VanDerWaalsContact C-N 3.3Å; L206-K208 PolarHBondContact O-N 3.14Å; K208-K212 VanDerWaalsContact O-CB 3.29Å; K208-K212 WeakPolarHBondContact O-CB 3.31Å; K208-K212 PolarHBondContact O-N 3.02Å
209S77.8Confident74.2Confident71 Ų71136.6 Ų136.650%0.49766%0.663SS.*Hα-helixtrans-75.2-41.2169.2430000112.5R205 L206 K212 L213R205-S209 PolarHBondContact O-N 3.14Å; R205-S209 PolarHBondContact O-OG 3.21Å; L206-S209 WeakPolarHBondContact CA-OG 3.42Å; L206-S209 PolarHBondContact O-N 2.71Å; L206-S209 VanDerWaalsContact O-N 3.17Å; L206-S209 PolarHBondContact O-OG 2.99Å; S209-K212 PolarHBondContact O-N 3.21Å; S209-L213 PolarHBondContact O-N 2.8Å
210Q77.6Confident72Confident124 Ų124138.7 Ų138.758%0.57968%0.675SS**Hα-helixtrans-66.6-46.1177.1-66.8-153.5111.700111.7L206 K212 L213 V214L206-Q210 WeakPolarHBondContact O-CG 3.25Å; L206-Q210 PolarHBondContact O-N 2.61Å; Q210-K212 VanDerWaalsContact C-N 3.27Å; Q210-K212 PolarHBondContact O-N 2.88Å; Q210-L213 WeakPolarHBondContact O-CA 3.32Å; Q210-L213 VanDerWaalsContact O-CB 3.31Å; Q210-L213 WeakPolarHBondContact O-CB 3.29Å; Q210-L213 PolarHBondContact O-N 3.2Å; Q210-V214 PolarHBondContact O-N 3.08Å
211N68.3Low69.8Low93 Ų93135.7 Ų135.750%0.49768%0.677SS.*Hα-helixtrans-66.3-30178.3-157.7-4.6000111.9L207 L213 V214 S215L207-N211 VanDerWaalsContact O-CB 3.27Å; L207-N211 WeakPolarHBondContact O-CB 3.27Å; L207-N211 PolarHBondContact O-N 3.28Å; N211-L213 PolarHBondContact O-N 3.17Å; N211-V214 PolarHBondContact O-N 3.25Å; N211-S215 PolarHBondContact O-N 3.4Å; N211-S215 PolarHBondContact O-OG 2.88Å; N211-S215 PolarHBondContact OD1-OG 3.11Å
212K66Low68Low174 Ų174134.5 Ų134.576%0.75769%0.685SS**Hα-helixtrans-65.5-19.3170.4-172.4172.5-179.2-168.50113.4K208 S209 Q210K208-K212 VanDerWaalsContact O-CB 3.29Å; K208-K212 WeakPolarHBondContact O-CB 3.31Å; K208-K212 PolarHBondContact O-N 3.02Å; S209-K212 PolarHBondContact O-N 3.21Å; Q210-K212 VanDerWaalsContact C-N 3.27Å; Q210-K212 PolarHBondContact O-N 2.88Å
213L57.5Low65.3Low156 Ų156131 Ų13182%0.81769%0.688SS**Hα-helixtrans-86.6-21.8172-14776.6000112.6S209 Q210 N211S209-L213 PolarHBondContact O-N 2.8Å; Q210-L213 WeakPolarHBondContact O-CA 3.32Å; Q210-L213 VanDerWaalsContact O-CB 3.31Å; Q210-L213 WeakPolarHBondContact O-CB 3.29Å; Q210-L213 PolarHBondContact O-N 3.2Å; N211-L213 PolarHBondContact O-N 3.17Å
214V56.4Low63Low109 Ų109130.4 Ų130.466%0.66170%0.696SS**Hα-helixtrans-90.9-37-179.6176.90000111.7Q210 N211 G216Q210-V214 PolarHBondContact O-N 3.08Å; N211-V214 PolarHBondContact O-N 3.25Å; V214-G216 PolarHBondContact O-N 3.49Å
215S50.8Low60.7Low91 Ų91128.7 Ų128.764%0.63670%0.702SS**THydrogen-bonded Turntrans-7725.2171-43.90000113.4N211N211-S215 PolarHBondContact O-N 3.4Å; N211-S215 PolarHBondContact O-OG 2.88Å; N211-S215 PolarHBondContact OD1-OG 3.11Å
216G55.6Low58.3Low57 Ų57124.3 Ų124.359%0.58870%0.701SS**THydrogen-bonded Turntrans-81-28.8177.500000113.2V214V214-G216 PolarHBondContact O-N 3.49Å
217D53Low56Low148 Ų148126.2 Ų126.279%0.79171%0.712SS**SBendtrans-132.8159-178-80.8-67.4000111.4
218L56.3Low53.9Low145 Ų145126.1 Ų126.176%0.75972%0.721SS**SBendtrans78100164.3-152.455.6000117.6
219F43.4Very low51.9Low173 Ų173121.2 Ų121.276%0.75972%0.718SS**  trans74.2109168-59-61.3000120.2T221F219-T221 PolarHBondContact O-N 2.9Å
220H47Very low50Low192 Ų192124 Ų12489%0.88973%0.732SS**  trans-64.6120.7145.2-77.1-89.5000109.9P222H220-P222 WeakPolarHBondContact O-CD 3.49Å
221T45.2Very low48.3Very low121 Ų121122.9 Ų122.974%0.74274%0.737SS**  trans-101.5106.1160.352.40000109.2F219 G223F219-T221 PolarHBondContact O-N 2.9Å; T221-G223 PolarHBondContact O-N 3.15Å
222P56.5Low46.5Very low129 Ų129126.4 Ų126.484%0.83875%0.75SS**  trans-76.3117.5174.130-31.9000110.1H220H220-P222 WeakPolarHBondContact O-CD 3.49Å
223G35.3Very low45.2Very low70 Ų70123.4 Ų123.472%0.72275%0.746SS**  trans137.9133.8-179.400000111.9T221T221-G223 PolarHBondContact O-N 3.15Å
224S41.6Very low44.1Very low101 Ų101122.3 Ų122.371%0.70675%0.746SS**  cis-138.3100.62.2-173.40000109.7S226S224-S226 VanDerWaalsContact C-N 3.28Å; S224-S226 PolarHBondContact O-N 3.26Å; S224-S226 VanDerWaalsContact O-N 3.07Å; S224-S226 PolarHBondContact OG-OG 3.27Å; S224-S226 VanDerWaalsContact OG-OG 3.13Å
225D39Very low42.8Very low168 Ų168124.8 Ų124.890%0.89876%0.756SS**  trans-7290.2156.7-81.9-61.9000107.8D227D225-D227 PolarHBondContact O-N 2.92Å
226S40.6Very low42.4Very low102 Ų102125.6 Ų125.671%0.71376%0.762SS**  trans-76.761.5170-58.50000110.3S224S224-S226 VanDerWaalsContact C-N 3.28Å; S224-S226 PolarHBondContact O-N 3.26Å; S224-S226 VanDerWaalsContact O-N 3.07Å; S224-S226 PolarHBondContact OG-OG 3.27Å; S224-S226 VanDerWaalsContact OG-OG 3.13Å
227D39.8Very low41.4Very low143 Ų143130.5 Ų130.577%0.76578%0.775SS**  trans-77.9115.7160.3-175.913000108.8D225 G229D225-D227 PolarHBondContact O-N 2.92Å; D227-G229 PolarHBondContact OD1-N 3.35Å
228S39Very low40.9Very low115 Ų115132.1 Ų132.180%0.80478%0.777SS**  trans-132.737.7170.455.20000111.2V230S228-V230 PolarHBondContact O-N 2.93Å
229G43.6Very low39.8Very low64 Ų64132.5 Ų132.566%0.6678%0.78SS**  trans-74.398.2164.500000112.1D227D227-G229 PolarHBondContact OD1-N 3.35Å
230V38.2Very low39.2Very low129 Ų129129.8 Ų129.878%0.78278%0.778SS**  trans-162.2131.613566.90000112.8S228S228-V230 PolarHBondContact O-N 2.93Å
231S40.9Very low38.4Very low100 Ų100126.2 Ų126.270%0.69977%0.773SS**  trans-10.2143.3171.765.70000121.5
232H31.5Very low38.9Very low167 Ų167126 Ų12677%0.77377%0.774SS**  -145.5159.498.3-154.8-99.7000112.2
233V38.9Very low38.6Very low111 Ų111125.2 Ų125.267%0.67377%0.768SS**  trans-91.9147.6172-67.40000110.7
234T32.6Very low38.3Very low133 Ų133130.5 Ų130.582%0.81677%0.772SS**  trans-171.4111144.436.80000109.2
235D30.1Very low37.7Very low161 Ų161131 Ų13186%0.86177%0.767SS**  trans-136.9120.9133-166.6-106.3000106.2
236S42.8Very low37.5Very low109 Ų109127.3 Ų127.376%0.76275%0.754SS**  trans-159.1138.8178.6-78.10000107.2
237D33.3Very low37.2Very low160 Ų160129.4 Ų129.486%0.85676%0.762SS**  trans-58.1157.3-165.7-67.6-87.6000116.6N239D237-N239 PolarHBondContact O-N 3.26Å
238H44.1Very low36.8Very low182 Ų182126.1 Ų126.184%0.84376%0.762SS**  trans-54.5129.4169.6-66.2-70.2000113.1
239N32.5Very low36.4Very low153 Ų153123.9 Ų123.982%0.81876%0.757SS**  -159.3144115.8-116.7-35.7000114.8D237D237-N239 PolarHBondContact O-N 3.26Å
240T31.5Very low35.9Very low116 Ų116127.6 Ų127.671%0.71276%0.762SS**  trans64.592.3157.2-41.60000120.2
241C29.9Very low35.8Very low116 Ų116129.9 Ų129.978%0.78476%0.764SS**  21.1163.3121.4-54.60000122.2
242P54.2Low35.3Very low117 Ų117131.3 Ų131.376%0.7677%0.774SS**  cis-140.6-144.8-41.742-21.8000110.4
243P51Low35.4Very low112 Ų112131.6 Ų131.673%0.72778%0.778SS**  -120.7177.7-52.231-12.4000114.3
244F29Very low35.1Very low181 Ų181132.6 Ų132.679%0.79479%0.788SS**  135.8115.9124.9-155.8-118.7000117
245D30.1Very low35.1Very low113 Ų113133 Ų13360%0.60479%0.786SS**  trans65.3116145.3-89.645.7000127.6
246S34.5Very low35.2Very low90 Ų90133.3 Ų133.363%0.62979%0.786SS**  96.9117.8112-79.70000123.5
247V34.2Very low35.1Very low145 Ų145136 Ų13688%0.87979%0.787SS**  trans64.1140.1144.5-174.80000116.9
248G30.5Very low34.8Very low74 Ų74134.4 Ų134.476%0.76379%0.788SS**  cis128.8145.58.500000110.2
249G30.7Very low34.3Very low69 Ų69132.8 Ų132.871%0.71178%0.781SS**  cis176.5-162.7300000110.4
250N32.8Very low34Very low142 Ų142132.4 Ų132.476%0.75978%0.779SS**  trans71.2122.9173.7-64.9-27.5000117.1
251Q35.6Very low34.1Very low177 Ų177133.5 Ų133.583%0.82778%0.776SS**  79.3118.364.5-75.4-172.987.800115.1
252S30.7Very low34Very low129 Ų129133.6 Ų133.690%0.90277%0.769SS**  -164.5162.9124.1-161.50000111.5
253M35.3Very low32.9Very low174 Ų174135.7 Ų135.786%0.85777%0.768SS**  trans-137.4140.8-178173.6-17774.700109.3
254C30.7Very low32.1Very low131 Ų131140.5 Ų140.589%0.88577%0.772SS**  trans-151.4146.2157.753.30000111.5
255D33.1Very low32.2Very low143 Ų143137.7 Ų137.777%0.76576%0.761SS**  trans-141.5137.8-179.7-1790.8000106
256L33.2Very low32.5Very low166 Ų166138.5 Ų138.587%0.86976%0.764SS**  trans-156.2130173.4-150.669.5000113.8
257Q39.2Very low32.3Very low167 Ų167140 Ų14078%0.7877%0.766SS**  trans-88.7164.4174.3-59.5169.3-20.900111.4
258S27.9Very low32.3Very low126 Ų126142.8 Ų142.888%0.88176%0.76SS**  trans-155.1148.1153.6-83.80000111.8
259Q33.7Very low32.4Very low148 Ų148145 Ų14569%0.69276%0.755SS**  trans-123.8150.6-178.3-59.7-177.7200111.8
260N26.9Very low32.6Very low144 Ų144146 Ų14677%0.7776%0.756SS**  trans-174.7135.3137.6-109.2-97.9000106.8
261Q31.8Very low32.5Very low139 Ų139143.2 Ų143.265%0.6576%0.761SS**  cis94136.830-70.4-161.239.100116
262N28.8Very low32.3Very low119 Ų119138.4 Ų138.464%0.63676%0.759SS**  trans88.6154.6170.6-59.4-72.5000118.5
263Q30.5Very low32.5Very low161 Ų161138.4 Ų138.475%0.75276%0.759SS**  cis171.9158.1-43.2-120.360.9-24.500107.1
264R34.9Very low32.4Very low213 Ų213138.6 Ų138.680%0.80476%0.758SS**  cis-119.1-125.53.5-57-178.9-84.8155.8-4109.6
265H30.7Very low32.9Very low121 Ų121139.4 Ų139.456%0.5675%0.753SS**  cis-142.2-138.70.6-159.2-106.7000112
266L36.1Very low32.7Very low130 Ų130139.7 Ų139.768%0.68175%0.754SS**  trans-132.4169.8-167.3-54.1176.6000109.4
267D30.1Very low33Very low123 Ų123136.4 Ų136.466%0.65875%0.745SS**  cis-143.2153.233.9-81.3-77.2000110.5
268R35.4Very low33.7Very low203 Ų203134.3 Ų134.377%0.76675%0.746SS**  cis78.2133.448.8-165.8-173.6169.4-147-16112
269D33.1Very low33.9Very low121 Ų121135.1 Ų135.165%0.64774%0.74SS**  cis-146-176.716.1-118.11.2000108.4
270A34.6Very low34.7Very low88 Ų88132.8 Ų132.873%0.72774%0.738SS**  cis-172.4166.4-18.900000111
271G30.7Very low35Very low84 Ų84129.8 Ų129.887%0.86673%0.728SS**  trans95.8146.3163.400000117.4
272G30.8Very low35Very low77 Ų77131.8 Ų131.879%0.79474%0.737SS**  cis176.4163.7-7.300000114.2
273S34.9Very low35.3Very low128 Ų128136.3 Ų136.390%0.89575%0.745SS**  trans78.7116.7172.3-60.20000121
274E33.9Very low36.1Very low179 Ų179134.8 Ų134.884%0.83675%0.75SS**  trans-100-171.6153.5-60.3171.197.300107.7
275L41.2Very low36Very low148 Ų148128.8 Ų128.878%0.77574%0.74SS**  cis-135.5-15818.2-67.6161.2000108
276D29Very low36.1Very low148 Ų148131.6 Ų131.679%0.79176%0.758SS**  cis-152.4174.55.7-163.7-163.7000111.8
277S39.3Very low35.7Very low97 Ų97130.8 Ų130.868%0.67876%0.762SS**  trans-102-155.4-176.6-151.10000111.9
278P52.9Low35.7Very low123 Ų123130.3 Ų130.380%0.79977%0.768SS**  cis-136.4177.735.139.1-17.1000118.3
279D32.1Very low35.5Very low144 Ų144126 Ų12677%0.7777%0.77SS**  trans-76.7-156.9172.2-153.232.5000110.1
280P50.8Low35.4Very low99 Ų99127.2 Ų127.264%0.64378%0.776SS**  cis-144.5168.92.737.1-13.5000120.2
281S33.2Very low35.3Very low81 Ų81130.2 Ų130.257%0.56679%0.786SS**  153.3146.7111.1-65.90000118.5
282H32.4Very low35.5Very low180 Ų180133.7 Ų133.783%0.83378%0.784SS**  trans74.4107.4151.1-59.3-43000122.7
283R35Very low35.7Very low214 Ų214141.1 Ų141.181%0.80879%0.788SS**  trans-105.6169.6132.4-51.8-174.275.7-1494.5108.3
284P47.4Very low35.6Very low130 Ų130139.5 Ų139.584%0.84478%0.782SS**  -140.9-170.284.937.6-21.2000113.8
285S32.9Very low35.8Very low86 Ų86135.7 Ų135.760%0.60178%0.776SS**  trans-114.4153.3-170.254.60000114.4
286L32.5Very low35.7Very low180 Ų180133.2 Ų133.294%0.94277%0.771SS**  trans-123.7160.4148-72.9176.8000109.5
287C28.2Very low36.7Very low114 Ų114134.9 Ų134.977%0.7778%0.779SS**  trans-140.1179.6-166.2590000112.3
288S29.7Very low37.5Very low112 Ų112137.9 Ų137.978%0.78378%0.782SS**  trans88.7130.6-172.9-41.30000113
289S30.4Very low37.4Very low113 Ų113142.1 Ų142.179%0.7979%0.788SS**  cis-146.11537.7-740000113.8
290N30.8Very low39Very low147 Ų147139.6 Ų139.679%0.78677%0.774SS**  trans7.1120.4159-71.7-13.5000120.3
291T34Very low39.6Very low151 Ų151140.1 Ų140.193%0.92677%0.771SS**  -141.6153.6105.335.30000109.5
292N35Very low41.4Very low156 Ų156140.5 Ų140.583%0.83477%0.772SS**  trans-99163.7-170.3-105-43.6000113.6
293R34Very low42.4Very low234 Ų234140.8 Ų140.888%0.88377%0.771SS**  trans95.3155.7152.3-140174.8-166.2-1512.6118
294A32.1Very low44.2Very low93 Ų93132.8 Ų132.877%0.76975%0.748SS**  trans70.188.9-167.200000112.5
295S40Very low44.9Very low100 Ų100131.3 Ų131.370%0.69974%0.736SS**  cis74.592.432.4-38.90000114.3
296S38.7Very low46.7Very low95 Ų95133 Ų13366%0.66474%0.735SS**  trans39.4105.9154.659.70000119.2Q298S296-Q298 PolarHBondContact O-N 3.4Å
297L50.2Low48.7Very low184 Ų184126.5 Ų126.596%0.96370%0.704SS**  trans-69.575.6159-72.7171.4000110.8K299L297-K299 PolarHBondContact O-N 3.2Å
298Q55.6Low50.7Low160 Ų160126.3 Ų126.375%0.74870%0.695SS**  trans-69122.2163.6-72-164.8-9.900108.8S296 L300S296-Q298 PolarHBondContact O-N 3.4Å; Q298-L300 PolarHBondContact O-N 3.33Å
299K51.6Low52.5Low212 Ų212126.7 Ų126.792%0.92269%0.688SS**  trans-74.889.1-173.6-167.6168.5-174.11710109.9L297L297-K299 PolarHBondContact O-N 3.2Å
300L65.3Low54.1Low90 Ų90125.8 Ų125.847%0.47168%0.681SS.*  trans-55.6143.1-179.4-69.1174.9000111.3Q298 E306Q298-L300 PolarHBondContact O-N 3.33Å; L300-E306 HydrophobicContact CD1-CB 4.25Å
301N63.7Low55.2Low111 Ų111126 Ų12659%0.59468%0.682SS**  trans-66.2128.3-178.4-164-23000108.9F303 S304N301-F303 PolarHBondContact O-N 2.89Å; N301-S304 VanDerWaalsContact O-CB 3.23Å; N301-S304 WeakPolarHBondContact O-CB 3.5Å; N301-S304 PolarHBondContact O-N 3.37Å
302P70.1Confident55.9Low89 Ų89122.9 Ų122.958%0.57867%0.667SS**THydrogen-bonded Turntrans-64-4.1-170.822.8-35.6000116
303F54.3Low56.6Low185 Ų185126.5 Ų126.581%0.81167%0.669SS**THydrogen-bonded Turntrans-108.59.4172.1-58.8-77.4000113.3N301N301-F303 PolarHBondContact O-N 2.89Å
304S71.3Confident57.1Low46 Ų46121.2 Ų121.232%0.32267%0.665SS.*  trans-79137.2173.6-172.30000111N301 E306 S307 L308N301-S304 VanDerWaalsContact O-CB 3.23Å; N301-S304 WeakPolarHBondContact O-CB 3.5Å; N301-S304 PolarHBondContact O-N 3.37Å; S304-E306 VanDerWaalsContact C-N 3.28Å; S304-E306 PolarHBondContact O-N 3.07Å; S304-S307 WeakPolarHBondContact O-CB 3.47Å; S304-S307 PolarHBondContact O-N 3.37Å; S304-L308 PolarHBondContact O-N 3.47Å
305V63.5Low57.5Low99 Ų99127.2 Ų127.260%0.667%0.668SS**Hα-helixtrans-55.7-43.5-179-1790000111.4S307 L308 L309V305-S307 PolarHBondContact O-N 2.92Å; V305-L308 PolarHBondContact O-N 3.44Å; V305-L308 VanDerWaalsContact O-N 3.09Å; V305-L309 HydrophobicContact CG1-CD1 3.84Å; V305-L309 HydrophobicContact CG1-CG 4.26Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 2.95Å
306E69.9Low57.6Low122 Ų122133.9 Ų133.957%0.5768%0.677SS**Hα-helixtrans-54-37.8176.4-135.966.9-164.600113L300 S304 S310L300-E306 HydrophobicContact CD1-CB 4.25Å; S304-E306 VanDerWaalsContact C-N 3.28Å; S304-E306 PolarHBondContact O-N 3.07Å; E306-S310 WeakPolarHBondContact O-CB 3.34Å; E306-S310 PolarHBondContact O-N 2.81Å; E306-S310 VanDerWaalsContact O-N 3.15Å; E306-S310 PolarHBondContact O-OG 3.06Å
307S74.4Confident57.7Low43 Ų43135.5 Ų135.530%0.30168%0.679SS.*Hα-helixtrans-75.5-31.5-178.3-160.50000112.2S304 V305S304-S307 WeakPolarHBondContact O-CB 3.47Å; S304-S307 PolarHBondContact O-N 3.37Å; V305-S307 PolarHBondContact O-N 2.92Å
308L69.8Low57.7Low111 Ų111132.4 Ų132.458%0.58167%0.67SS**Hα-helixtrans-77.3-36.1177.4-62.8172.1000111.8S304 V305 S310 S312S304-L308 PolarHBondContact O-N 3.47Å; V305-L308 PolarHBondContact O-N 3.44Å; V305-L308 VanDerWaalsContact O-N 3.09Å; L308-S310 VanDerWaalsContact C-N 3.34Å; L308-S312 PolarHBondContact O-OG 3.1Å
309L66.8Low56.7Low120 Ų120129.9 Ų129.963%0.62868%0.676SS**Hα-helixtrans-71-30.5175.6-66.6174.8000112.2V305 D311V305-L309 HydrophobicContact CG1-CD1 3.84Å; V305-L309 HydrophobicContact CG1-CG 4.26Å; V305-L309 WeakPolarHBondContact O-CG 3.43Å; V305-L309 PolarHBondContact O-N 2.95Å; L309-D311 PolarHBondContact O-N 3.43Å
310S64.9Low56Low94 Ų94124.5 Ų124.566%0.65767%0.671SS**Hα-helixtrans-66.3-30.6-178.4-67.20000114.7E306 L308 S312E306-S310 WeakPolarHBondContact O-CB 3.34Å; E306-S310 PolarHBondContact O-N 2.81Å; E306-S310 VanDerWaalsContact O-N 3.15Å; E306-S310 PolarHBondContact O-OG 3.06Å; L308-S310 VanDerWaalsContact C-N 3.34Å; S310-S312 VanDerWaalsContact C-N 3.32Å; S310-S312 PolarHBondContact O-N 3.04Å
311D54.1Low55.1Low150 Ų150128.2 Ų128.280%0.80269%0.691SS**THydrogen-bonded Turntrans-84.7-4.4-173.4-153.219.8000113.5L309 R313L309-D311 PolarHBondContact O-N 3.43Å; D311-R313 PolarHBondContact O-N 3.21Å
312S47.8Very low54.3Low87 Ų87128.7 Ų128.761%0.60870%0.7SS**  trans-87.948.1-165.3-67.70000115.5L308 S310L308-S312 PolarHBondContact O-OG 3.1Å; S310-S312 VanDerWaalsContact C-N 3.32Å; S310-S312 PolarHBondContact O-N 3.04Å
313R49.8Very low53Low231 Ų231129.8 Ų129.887%0.87271%0.709SS**  trans-143.287.6175-70.2-166.2179.8-163.30.3115.5D311 R315D311-R313 PolarHBondContact O-N 3.21Å; R313-R315 PolarHBondContact O-N 2.87Å; R313-R315 VanDerWaalsContact O-N 3.15Å
314P44.9Very low52.3Low124 Ų124126.3 Ų126.381%0.80571%0.708SS**  trans-74.1102.2172.529.9-34000112.3R316P314-R316 PolarHBondContact O-N 3.21Å; P314-R316 VanDerWaalsContact O-N 3.16Å
315R40.6Very low50.9Low218 Ų218135.3 Ų135.382%0.82374%0.735SS**  trans-77.594.4179.2-166.3-176.5-161-907.9111.7R313R313-R315 PolarHBondContact O-N 2.87Å; R313-R315 VanDerWaalsContact O-N 3.15Å
316R42.4Very low50.1Low240 Ų240136.2 Ų136.291%0.90674%0.743SS**PPolyproline II helixtrans-65.6133.7169.6-80.2-178.5167138-3.8111.3P314P314-R316 PolarHBondContact O-N 3.21Å; P314-R316 VanDerWaalsContact O-N 3.16Å
317N41.3Very low49.2Very low129 Ų129138.8 Ų138.869%0.6976%0.76SS**PPolyproline II helixtrans-89.7146.5161.7-72.3-18.7000109.9
318P49Very low47.8Very low120 Ų120144.9 Ų144.978%0.77979%0.787SS**PPolyproline II helixtrans-95.4173.917937.9-35.6000113.9
319A35.6Very low46.7Very low107 Ų107142.2 Ų142.288%0.88479%0.786SS**  trans73.6140.8-178.400000115.5
320A36.7Very low45.9Very low98 Ų98146.6 Ų146.681%0.8180%0.8SS**  cis-135163.3100000112.4
321L45.3Very low45.4Very low168 Ų168145.9 Ų145.988%0.8881%0.808SS**  trans-95.4165174.3-68.5169.3000110.9
322P48.6Very low45.1Very low122 Ų122147.4 Ų147.479%0.79281%0.81SS**  -137152.394.237.4-26.7000115.8
323S42.3Very low45.3Very low111 Ų111152.6 Ų152.678%0.77682%0.822SS**  trans15.6128.4150.6-152.10000118.9
324S39.9Very low45.8Very low113 Ų113148.9 Ų148.979%0.7982%0.819SS**  cis-163-164.547.161.10000114.3
325R40.9Very low46.2Very low235 Ų235150.5 Ų150.589%0.88782%0.82SS**  trans-94.8175.4-166.6-59.6-174.6-173.4-153.62.6112.4
326P47.9Very low46.9Very low118 Ų118149.6 Ų149.677%0.76682%0.818SS**  cis-132.1178.95.242.2-25.5000116.6
327L50.3Low47.5Very low175 Ų175143.5 Ų143.592%0.91681%0.809SS**  trans-84.2125.4168.9-79.676.3000111.8
328I45.7Very low48.1Very low171 Ų171144.9 Ų144.988%0.87782%0.815SS**  trans-160149.2149.1-154.962.7000106.1
329G46.2Very low48.2Very low55 Ų55145 Ų14557%0.56781%0.813SS**  cis153.2100.6-6.100000109.1
330K49.4Very low49.2Very low212 Ų212147.6 Ų147.692%0.92281%0.807SS**SBendtrans67.9158.8-166.7-59-171.3175.1-176.20114.5
331G53.8Low50.1Low79 Ų79149 Ų14981%0.81481%0.808SS**PPolyproline II helixtrans-82.1119.8-164.900000113.8
332H49.1Very low50.5Low182 Ų182148.6 Ų148.684%0.84381%0.806SS**PPolyproline II helixtrans-103.8124.8155.4-90.7-103.1000108.9L334H332-L334 PolarHBondContact O-N 3.21Å
333F52.3Low50.3Low196 Ų196145.7 Ų145.786%0.8680%0.799SS**PPolyproline II helixtrans-64.1131.9158.2-89-100.4000108L335F333-L335 VanDerWaalsContact C-N 3.27Å; F333-L335 PolarHBondContact O-N 3.49Å
334L58.8Low50.5Low154 Ų154150.5 Ų150.581%0.80681%0.806SS**  trans-69.790.7167.5-71.4174.9000108.4H332 Y336H332-L334 PolarHBondContact O-N 3.21Å; L334-Y336 PolarHBondContact O-N 3.34Å
335L53.7Low51.1Low158 Ų158152.6 Ų152.683%0.82781%0.806SS**  trans-65.9101.9164.5-136.775.6000106.7F333F333-L335 VanDerWaalsContact C-N 3.27Å; F333-L335 PolarHBondContact O-N 3.49Å
336Y55.1Low51.6Low199 Ų199146.9 Ų146.978%0.7880%0.798SS**  trans-54.4129.1167.7-76.7-95.2000107.6L334 I338L334-Y336 PolarHBondContact O-N 3.34Å; Y336-I338 PolarHBondContact O-N 2.92Å; Y336-I338 VanDerWaalsContact O-N 3.11Å
337P54.9Low51.7Low111 Ų111146.6 Ų146.672%0.72180%0.796SS**  trans-59.7122.5176.625.1-32.8000107.8T339P337-T339 PolarHBondContact O-N 3.16Å
338I55.6Low51.2Low159 Ų159147.2 Ų147.282%0.81579%0.794SS**  trans-64.2102175.5-61.5174.3000106.1Y336 Q340Y336-I338 PolarHBondContact O-N 2.92Å; Y336-I338 VanDerWaalsContact O-N 3.11Å; I338-Q340 PolarHBondContact O-N 3.36Å
339T49.9Very low50.9Low122 Ų122145.2 Ų145.275%0.74879%0.79SS**  trans-64103.7176.750.30000107.5P337P337-T339 PolarHBondContact O-N 3.16Å
340Q57.2Low50.4Low161 Ų161147.2 Ų147.275%0.75280%0.801SS**  trans-50.2137167.2-63.7175.5-700107.8I338 L342I338-Q340 PolarHBondContact O-N 3.36Å; Q340-L342 PolarHBondContact O-N 3.21Å
341P55.3Low49.9Very low128 Ų128145.1 Ų145.183%0.83180%0.799SS**  trans-62.3108.717825.5-32.8000108.5G343P341-G343 PolarHBondContact O-N 2.86Å
342L53.6Low49.3Very low159 Ų159150.8 Ų150.883%0.83280%0.801SS**  trans-54.8129.5172.1-9465.6000107.9Q340 F344Q340-L342 PolarHBondContact O-N 3.21Å; L342-F344 PolarHBondContact O-N 2.73Å
343G44.4Very low48.5Very low62 Ų62148.7 Ų148.764%0.63980%0.802SS**  trans-56.7139.2178.800000111P341 I345P341-G343 PolarHBondContact O-N 2.86Å; G343-I345 PolarHBondContact O-N 2.83Å
344F46.2Very low47.7Very low211 Ų211145 Ų14593%0.92580%0.8SS**  trans-60.6103.6177.9-72.8-91.3000110.3L342 V346L342-F344 PolarHBondContact O-N 2.73Å; F344-V346 PolarHBondContact O-N 3.05Å; F344-V346 VanDerWaalsContact O-N 3.11Å
345I53.5Low46.5Very low157 Ų157143.8 Ų143.881%0.80580%0.804SS**  trans-71.9104.4171.2-66173.3000107.5G343 P347G343-I345 PolarHBondContact O-N 2.83Å; I345-P347 WeakPolarHBondContact O-CD 3.39Å
346V51.6Low45.5Very low116 Ų116141.2 Ų141.270%0.70381%0.806SS**  trans-72.2119.7170.2176.70000108.5F344 Q348F344-V346 PolarHBondContact O-N 3.05Å; F344-V346 VanDerWaalsContact O-N 3.11Å; V346-Q348 PolarHBondContact O-N 2.82Å
347P48.2Very low44.5Very low112 Ų112136.8 Ų136.873%0.72781%0.811SS**  trans-70.2114.6175-16.131.4000110I345 T349I345-P347 WeakPolarHBondContact O-CD 3.39Å; P347-T349 PolarHBondContact O-N 2.81Å
348Q40.1Very low43.4Very low187 Ų187135.7 Ų135.787%0.87481%0.811SS**  trans-75124.6168.5-69.5-166.842.200109.8V346 A350V346-Q348 PolarHBondContact O-N 2.82Å; Q348-A350 PolarHBondContact O-N 3.24Å; Q348-A350 VanDerWaalsContact O-N 3.07Å
349T39.1Very low42.3Very low129 Ų129133.1 Ų133.179%0.79181%0.807SS**  trans-76.390.9176.637.40000110.9P347 L351P347-T349 PolarHBondContact O-N 2.81Å; T349-L351 PolarHBondContact O-N 2.82Å
350A37.3Very low41.5Very low97 Ų97132.3 Ų132.380%0.80281%0.805SS**  trans-63.7106.9172.100000110.7Q348 K352Q348-A350 PolarHBondContact O-N 3.24Å; Q348-A350 VanDerWaalsContact O-N 3.07Å; A350-K352 PolarHBondContact O-N 2.86Å; A350-K352 VanDerWaalsContact O-N 3.15Å
351L39.3Very low40.4Very low168 Ų168132 Ų13288%0.8881%0.809SS**  trans-65.3111.5174.4-66.7176000109.5T349T349-L351 PolarHBondContact O-N 2.82Å
352K39.5Very low39.5Very low199 Ų199129.1 Ų129.187%0.86580%0.802SS**  trans-86.1125.1178-173.5162.7-177.2172.30110.5A350A350-K352 PolarHBondContact O-N 2.86Å; A350-K352 VanDerWaalsContact O-N 3.15Å
353T32.7Very low38.6Very low138 Ų138129.7 Ų129.785%0.84781%0.806SS**  trans-68.4138174.746.10000111.7
354S35.1Very low38.4Very low119 Ų119130.6 Ų130.683%0.83281%0.808SS**  trans-135.4119.416750.70000109.5
355S33.5Very low39.1Very low127 Ų127126.4 Ų126.489%0.88880%0.802SS**  trans-90123.9-179.152.70000111.6
356A33.7Very low38.3Very low105 Ų105123.3 Ų123.387%0.86880%0.8SS**  trans-146.3149.3161.300000108.2
357A33.4Very low37.5Very low106 Ų106124.5 Ų124.588%0.87680%0.802SS**  trans-136.1143.9-167.100000113.4
358A33.4Very low37.1Very low87 Ų87129.2 Ų129.272%0.71981%0.805SS**  trans-173.9153.6154.900000110.2
359S31.9Very low36.8Very low106 Ų106126 Ų12674%0.74179%0.794SS**  trans58.4124.1173.141.20000116.2
360C33Very low36.9Very low105 Ų105126.5 Ų126.571%0.70979%0.788SS**  62.2126.550.3970000112.1
361D33.8Very low36.8Very low154 Ų154127.5 Ų127.582%0.82479%0.788SS**  cis-129.8178.15.6-62-75.3000108.8
362G37Very low36.5Very low68 Ų68122.8 Ų122.870%0.70178%0.78SS**  cis128.281.4-0.600000113.6
363D33.1Very low36.3Very low170 Ų170120.5 Ų120.591%0.90978%0.783SS**  trans-166.5-178147.9-133.1-48.3000114.2
364A40.8Very low36.4Very low82 Ų82124.6 Ų124.668%0.67878%0.783SS**  trans-98.4173.8-151.400000118.4
365P60.3Low36.2Very low123 Ų123124.8 Ų124.880%0.79978%0.782SS**  trans-117.2-166.1-168.544.4-34000115.8
366A38.4Very low36.2Very low92 Ų92123.7 Ų123.776%0.7678%0.775SS**  trans80.9160.8173.800000115.2
367D35.2Very low36.2Very low141 Ų141122.7 Ų122.775%0.75477%0.766SS**  cis-159.61785.5-153.1-20.1000111
368R39.2Very low36.3Very low211 Ų211123.3 Ų123.380%0.79676%0.764SS**  trans73158.8153.5-69.6174.9128.1179.3-0.5121.2
369D33.9Very low36.3Very low119 Ų119123.8 Ų123.864%0.63676%0.763SS**  cis-172.1170.3-34.6-155.9-5.8000111.2
370Q39.9Very low36.3Very low140 Ų140126.2 Ų126.265%0.65477%0.767SS**  trans75.5134.2143.7-90.5164.569.500124
371S34.9Very low36.4Very low117 Ų117126.6 Ų126.682%0.81877%0.771SS**  trans67.7143.9158.965.80000117.7
372G33.6Very low37.4Very low69 Ų69125.6 Ų125.671%0.71177%0.773SS**  cis101.1124.420.800000108.8
373V35.9Very low37.2Very low151 Ų151125.6 Ų125.692%0.91577%0.773SS**  -154.116463.2162.20000111.1
374R35.5Very low37.1Very low225 Ų225123.5 Ų123.585%0.84977%0.771SS**  trans-85.5151176.4-66.2175.2170.7177.1-3.7113.8
375C29.3Very low36.7Very low122 Ų122131.4 Ų131.482%0.82478%0.783SS**  -171139128-97.80000107.8
376S34Very low35.5Very low104 Ų104130.3 Ų130.373%0.72778%0.778SS**  cis75.412536.2-54.90000112.8
377A34.8Very low35.1Very low84 Ų84131.6 Ų131.669%0.69478%0.781SS**  cis-163.4179.1-0.900000112.1
378S34.4Very low35.1Very low119 Ų119129.7 Ų129.783%0.83278%0.779SS**  trans73.3152155-65.70000118.3
379S32.9Very low35.8Very low98 Ų98125.5 Ų125.569%0.68578%0.779SS**  cis-164.9162.1-3.8370000113.4
380N32.6Very low35.9Very low157 Ų157127.1 Ų127.184%0.8479%0.788SS**  trans70.1105.1154.6-65.65.1000121.8
381S35.3Very low35.7Very low112 Ų112124.2 Ų124.278%0.78379%0.788SS**  trans-77.9-177.4138.6-38.10000110
382P54.2Low35.7Very low133 Ų133127 Ų12786%0.86479%0.788SS**  cis-121.7-151.3-1.146.9-31.1000110.8
383G32.1Very low35.8Very low69 Ų69131.2 Ų131.271%0.71179%0.787SS**  cis-178.7-169.58.300000114.3
384C32.3Very low35.7Very low126 Ų126131.7 Ų131.785%0.85178%0.783SS**  trans-99.9157.7-169.6-38.10000114.3
385R31.4Very low35.5Very low248 Ų248124.2 Ų124.294%0.93678%0.776SS**  -173.2169121.5-103.1163.2-172.7-90.5-0.9114.8
386S34.9Very low35.7Very low100 Ų100127.4 Ų127.470%0.69978%0.779SS**  trans-91168-172.955.30000114.5
387S31.5Very low35.6Very low118 Ų118129 Ų12983%0.82578%0.784SS**  178.4159.7116.5-89.80000114
388S35Very low35.5Very low102 Ų102128 Ų12871%0.71378%0.781SS**  trans-87174.2169-159.80000111.2
389P54Low35.3Very low123 Ų123130.2 Ų130.280%0.79978%0.779SS**  -147174.2104.339.8-24.5000116.8
390D35.3Very low35.3Very low153 Ų153132.9 Ų132.982%0.81878%0.781SS**  trans-80.7170.2-177-75-91.6000117.2
391A36Very low35.4Very low79 Ų79131.5 Ų131.565%0.65377%0.769SS**  119.8116.6125.100000120
392Q34.7Very low35.3Very low175 Ų175134.1 Ų134.182%0.81877%0.766SS**  64.9154.1126.7-65.9-168.336.100120.5
393K36Very low34.2Very low158 Ų158133 Ų13369%0.68776%0.761SS**  cis179.8151.6-11.4164.9-172.6174.8-165.50109.6
394L33.1Very low34.6Very low161 Ų161134.7 Ų134.784%0.84376%0.762SS**  trans66.5156.4175.3-68.3147.4000116.4
395G31Very low35.5Very low67 Ų67135 Ų13569%0.69176%0.763SS**  cis168.6142.2-14.800000116.7
396Q34.5Very low35.9Very low189 Ų189128.4 Ų128.488%0.88376%0.755SS**  trans73.8138.9145.6-122-178.325.100124.2
397V31.6Very low35.9Very low137 Ų137135.2 Ų135.283%0.8377%0.765SS**  trans66.8144.3162.1-165.80000117.2
398G31.8Very low36Very low63 Ų63134.3 Ų134.365%0.64977%0.765SS**  cis162.8170.7-9.200000113.5
399Q30.9Very low36Very low166 Ų166133 Ų13378%0.77676%0.761SS**  trans74.7119.6173.7-59.5-176.6-84.800117.3
400E33.3Very low34.9Very low155 Ų155136.9 Ų136.972%0.72477%0.765SS**  86.3146.391.8-72.7-174.188.800113.9
401E34Very low34.8Very low127 Ų127133.1 Ų133.159%0.59376%0.755SS**  cis-164.4164.1-4.1-120.6-82.669.100109.9
402K33.7Very low34.8Very low167 Ų167135.3 Ų135.373%0.72677%0.766SS**  trans64.4154.6161-67.2157.7-155.4175.20119.2
403S31.8Very low34.5Very low109 Ų109130.7 Ų130.776%0.76277%0.765SS**  cis-164.3162.5-19.651.60000111.2
404S39.2Very low34.5Very low105 Ų105132.3 Ų132.373%0.73478%0.775SS**  trans-68.7178.5178.3-37.10000115
405P52.5Low35.6Very low134 Ų134129.3 Ų129.387%0.8777%0.765SS**  -129.7179.1109.338.7-33.5000113.7
406S38Very low35.6Very low109 Ų109133.1 Ų133.176%0.76277%0.77SS**  trans-155.1154.6-169.161.70000115.9
407R35.9Very low35.5Very low242 Ų242129.2 Ų129.291%0.91376%0.764SS**  trans57.8117139.7-173.8-169-173-166.93.2121.2
408A33.7Very low35.6Very low99 Ų99126.5 Ų126.582%0.81876%0.756SS**  trans-180166.7137.300000111.1
409A35.6Very low35.6Very low75 Ų75130.6 Ų130.662%0.6276%0.761SS**  cis-174.8166.8-40.700000109.7
410F29.9Very low35.6Very low205 Ų205128.4 Ų128.490%0.89976%0.763SS**  trans66.2160.8172.1-61.4-91.7000117.9
411A34.2Very low35.7Very low74 Ų74125.6 Ų125.661%0.61276%0.76SS**  cis-169.6160.8-3600000111.8
412S34.7Very low35.6Very low124 Ų124128.3 Ų128.387%0.86777%0.773SS**  trans51.6134.7151.759.90000122.4
413G29.3Very low35.6Very low79 Ų79125.9 Ų125.981%0.81478%0.777SS**  trans138.6112.414700000118.1
414Q36.3Very low35.7Very low191 Ų191126 Ų12689%0.89377%0.773SS**  trans-96.3172147.2-92.6-167-3.100108.1
415P55.1Low35.6Very low98 Ų98130.5 Ų130.564%0.63678%0.78SS**  cis-141.8-160.622.841.8-20.4000115.7
416N32.5Very low34.8Very low147 Ų147130.7 Ų130.779%0.78677%0.769SS**  trans74.7155.6165.4-60.2-21.3000118.2
417S32.1Very low34.6Very low107 Ų107132.7 Ų132.775%0.74877%0.77SS**  cis-169.5169.6-37.656.60000110.1
418A32Very low34.8Very low80 Ų80128.5 Ų128.566%0.66177%0.765SS**  trans75.1119.7151.100000122.8
419I31.9Very low35.1Very low150 Ų150128.9 Ų128.977%0.76976%0.757SS**  trans74.2104.2134.4-57.2166.1000120.3
420C31.8Very low35.8Very low119 Ų119131.1 Ų131.180%0.80477%0.765SS**  -167.6124.7111.7-93.90000106.3
421S34.6Very low36.1Very low97 Ų97126.8 Ų126.868%0.67876%0.755SS**  64.6129.655.1-55.80000112.8
422E33Very low36.3Very low184 Ų184131.4 Ų131.486%0.8677%0.77SS**  cis-169.1152.9-13.9-170.7179.7118.300107.5
423S34.3Very low36.5Very low116 Ų116130.8 Ų130.881%0.81176%0.761SS**  trans161.9145.1138.1-167.40000112.2
424T33.6Very low36.9Very low111 Ų111133.3 Ų133.368%0.68176%0.756SS**  trans-112.9144-175.3-62.30000110.9
425F36.3Very low37Very low199 Ų199131.8 Ų131.887%0.87375%0.746SS**  trans-146.196.4152.8-128-98.1000107.2
426E36Very low36Very low139 Ų139135.2 Ų135.265%0.6575%0.751SS**  81.6128.986.6-89.4-58.9152.800113.6
427L34.2Very low36.2Very low150 Ų150134.8 Ų134.879%0.78574%0.744SS**  trans-137.395.2-166.5-172.3137.5000109.5T429L427-T429 PolarHBondContact O-N 3.41Å
428I39.2Very low36.4Very low154 Ų154136.8 Ų136.879%0.7974%0.741SS**  trans-83.4114.2-169.9-58.6175.2000110.9
429T40.4Very low36.9Very low107 Ų107139.7 Ų139.766%0.65675%0.745SS**  trans-103.3131.1156.351.30000109.9L427L427-T429 PolarHBondContact O-N 3.41Å
430P51.1Low37.3Very low123 Ų123138.2 Ų138.280%0.79974%0.735SS**  trans-76.6140.717131.9-32.5000110.9
431V36.2Very low37.8Very low114 Ų114139.4 Ų139.469%0.69173%0.728SS**  trans-118.3133166.51690000107T433V431-T433 HydrophobicContact CG1-CG2 3.73Å
432D38.6Very low37.8Very low170 Ų170140.6 Ų140.691%0.90973%0.732SS**  trans-115.6132.3168.6-111.5-51.8000108.7
433T39.1Very low38.2Very low111 Ų111137 Ų13768%0.68172%0.723SS**  trans-144.7112.3-174.546.60000112.3V431V431-T433 HydrophobicContact CG1-CG2 3.73Å
434D37.3Very low38.4Very low133 Ų133138.7 Ų138.771%0.71172%0.722SS**  trans176.1149.9161.6-101.6-33.4000107.7
435K37.8Very low39.6Very low158 Ų158137.9 Ų137.969%0.68772%0.719SS**  cis-142.6144.70.4-115.2130.8-167.8150.10107.1
436K33.5Very low39.8Very low171 Ų171136.5 Ų136.574%0.74372%0.715SS**  60129.396.2-122.2-159.4169.9-151.10112.7
437E37.3Very low41Very low137 Ų137134.1 Ų134.164%0.6471%0.712SS**  cis-145.5145.331.8-90.9-177.8-179.200112
438H35.5Very low41.4Very low149 Ų149134.1 Ų134.169%0.6971%0.712SS**  69.4133.295.5-128-134.7000112.5E440H438-E440 IonicContact CE1-OE2 3.68Å; H438-E440 IonicContact NE2-OE2 3.97Å
439L43Very low41.4Very low141 Ų141132.5 Ų132.574%0.73871%0.714SS**  cis-179.1147.347.3172.393.7000108.5
440E40.9Very low41.4Very low120 Ų120134.6 Ų134.656%0.56172%0.721SS**  cis-167.9164.6-24.8-103.5-162.487.500110.6H438H438-E440 IonicContact CE1-OE2 3.68Å; H438-E440 IonicContact NE2-OE2 3.97Å
441H42.2Very low40.5Very low143 Ų143134.2 Ų134.266%0.66272%0.72SS**  trans70.6152156.1-81.974000121.5
442T34.6Very low41.6Very low123 Ų123134.1 Ų134.176%0.75572%0.722SS**  cis-148.7125.129.6-51.20000115.8
443V41.4Very low41.5Very low109 Ų109131.6 Ų131.666%0.66171%0.713SS**  trans41125.6143.3-175.50000121.4
444N37.2Very low41.4Very low150 Ų150133.7 Ų133.780%0.80272%0.715SS**  80.1160.958.5-101.97.4000116
445P59.9Low41.7Very low94 Ų94134.5 Ų134.561%0.6172%0.719SS**  -146.5174.5-55.741-21.5000117.5
446E40.4Very low41.9Very low171 Ų171134.3 Ų134.380%0.79973%0.725SS**  trans64.6173144.8-71.2-86.691.400121.2
447P61Low42.2Very low89 Ų89130.6 Ų130.658%0.57872%0.72SS**  cis-143-177.9-49.142-25.4000117.9
448L41.8Very low42.9Very low149 Ų149130.3 Ų130.378%0.7873%0.728SS**  trans72.1130.2145.7-83.2163.7000125
449S40.6Very low43.9Very low120 Ų120131.8 Ų131.884%0.83974%0.736SS**  -178.8163.9128.742.70000113.1
450D39.5Very low44.1Very low151 Ų151132.3 Ų132.381%0.80774%0.739SS**  trans-108.6177.5-162.6-90.3-73.2000117.2
451C33.4Very low44.7Very low116 Ų116132.8 Ų132.878%0.78475%0.75SS**  trans-79.6-159.3-179.3-45.20000113.9
452P58.6Low45.2Very low111 Ų111132 Ų13272%0.72175%0.751SS**  cis-144-172.7-12.539.5-17.6000117.6
453T36Very low46.1Very low117 Ų117134 Ų13472%0.71875%0.753SS**  trans88.2156.5145-500000123
454Q36.7Very low46.7Very low156 Ų156140.9 Ų140.973%0.72978%0.778SS**  trans81.2131.5177.7-46.3-63.123.400116.3
455L45.3Very low47.2Very low150 Ų150140.5 Ų140.579%0.78578%0.777SS**  cis88.3103.427.2-67.2-178.4000116.9
456N41.3Very low46.5Very low154 Ų154142.9 Ų142.982%0.82479%0.786SS**  trans171.8125.7142.6-95.27.8000107.3
457S39Very low46.8Very low92 Ų92141.3 Ų141.364%0.64379%0.785SS**  86.6118.752.777.80000114
458T52.6Low46Very low132 Ų132144.4 Ų144.481%0.8180%0.797SS**  trans-176.2144.9134.4-86.20000108.3
459E56.1Low46.3Very low180 Ų180144.1 Ų144.184%0.84180%0.798SS**  trans-107.7-142.5-177-65170.699.800110.2
460D46.6Very low46.7Very low152 Ų152145.7 Ų145.781%0.81380%0.796SS**  trans70.8137.2-178.1-50.1-50.3000114.5
461V53.7Low47.2Very low129 Ų129145.4 Ų145.478%0.78280%0.795SS**  cis-140.7156.816.6176.60000111.6
462D53Low48.2Very low128 Ų128147.6 Ų147.668%0.68480%0.796SS**  trans-33.1171.2159.5-67.7-96.6000118.6
463M53.6Low47.4Very low163 Ų163150.7 Ų150.780%0.80380%0.802SS**  cis-148.8169.96.6-131.6162.2-112.700106.6
464E54.5Low48.4Very low255 Ų255153.7 Ų153.7100%1.19281%0.81SS**  cis-157.7037.8-177.4-177.4156.900110.4

Retrieved 464 of 464 residues in 548.3 ms (Link to these results)