A0A5K4FCF8_SCHMA Loading...

Fork-head domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 349 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M44.9Very low38Very low250 Ų250147.5 Ų147.5100%1.23285%0.846SS**  0130.30-78.1178.1144.800108
2S33Very low37.9Very low119 Ų119150.6 Ų150.683%0.83284%0.843SS**  trans-66.5144-161-49.20000116.1
3C40.6Very low37.7Very low130 Ų130147.5 Ų147.588%0.87884%0.837SS**  -165111.1124.928.60000111.4
4N37.1Very low37.9Very low142 Ų142147.2 Ų147.276%0.75983%0.833SS**  trans-77.6157.7164.6-70-33.5000109.6
5N39.5Very low37.9Very low169 Ų169149.5 Ų149.590%0.90483%0.833SS**  trans-157.483.8144.8-92.6-21.4000112.2
6T38.3Very low37.6Very low125 Ų125149.4 Ų149.477%0.76782%0.824SS**  trans2.1126.7135.8-37.70000119.9
7L38.2Very low37.3Very low163 Ų163149.1 Ų149.185%0.85382%0.815SS**  trans-72.7162.2156.3-82.4156.6000111.7
8P39.6Very low37.2Very low125 Ų125151.8 Ų151.881%0.81282%0.818SS**  trans-131.1140.1144.932.8-17.9000114.5
9S34.3Very low36.8Very low102 Ų102151.9 Ų151.971%0.71382%0.815SS**  trans-87152.4166.644.70000112.4
10N34.9Very low36.6Very low148 Ų148151.6 Ų151.679%0.79181%0.808SS**  trans128.3136.9149.2-74.3-15.4000113.1
11I37.4Very low36.8Very low150 Ų150150.9 Ų150.977%0.76980%0.803SS**  176.4111.4121.8-87.6158.5000110.6
12F36.7Very low36Very low184 Ų184149.4 Ų149.481%0.80779%0.785SS**  trans90.4106.9139.3-80.9-105.7000124
13S35.6Very low36.3Very low110 Ų110150.6 Ų150.677%0.76978%0.782SS**  trans-56.7150148-69.40000114.4
14N40.8Very low36Very low144 Ų144150.5 Ų150.577%0.7777%0.773SS**  trans-176.4140.7146.1-90.9-35.3000105.8
15H38Very low36.2Very low181 Ų181152.5 Ų152.584%0.83878%0.777SS**  cis-163.9172.415.1-15131.4000109.4
16H32.3Very low36.1Very low148 Ų148150.3 Ų150.369%0.68577%0.766SS**  trans-99161.5-158.4-146.7-29.5000112.3
17Q33.5Very low36.2Very low145 Ų145151.3 Ų151.368%0.67877%0.767SS**  trans94150.8138.3-123.4118.6-1.600122
18F34.8Very low36.1Very low198 Ų198150.1 Ų150.187%0.86876%0.761SS**  trans82.3100.1-177.1-73.7-85.8000115
19M30Very low36.2Very low154 Ų154150.1 Ų150.176%0.75975%0.753SS**  cis62114.136.3-109.2-150.8177.300116.8
20Q33Very low36.4Very low144 Ų144151.7 Ų151.767%0.67375%0.753SS**  trans103.4115139.2-71.3-168.718.900121
21I39.6Very low36.4Very low138 Ų138150.4 Ų150.471%0.70875%0.747SS**  trans90.9109.5133.4-59.5164.3000117.9
22Y28.9Very low36.6Very low218 Ų218151.6 Ų151.686%0.85575%0.749SS**  trans-68.7139.8152.5-82.3-95.7000109.1
23D38.1Very low36.4Very low145 Ų145149 Ų14978%0.77574%0.743SS**  trans-160151.8131.7-107.1-37.7000113.7
24N35.6Very low36.6Very low128 Ų128150.8 Ų150.868%0.68474%0.744SS**  trans-64.8153.6-168.1-59.2-77.6000114.6
25H41.8Very low36.2Very low183 Ų183150.9 Ų150.985%0.84774%0.744SS**  -169150.5117.3-105.2-33000114.5
26D37.3Very low36.1Very low124 Ų124149.9 Ų149.966%0.66374%0.744SS**  trans-79174.4-166.9-61.4-77.6000115.3
27D39.4Very low36.4Very low146 Ų146148.6 Ų148.678%0.78175%0.746SS**  trans110134.3135.5-69.7-35.3000119.9
28N37.4Very low36.3Very low137 Ų137150.3 Ų150.373%0.73375%0.754SS**  trans80.7139.8153.2-80.1-12.6000119.5
29I41Very low36.2Very low125 Ų125146.7 Ų146.764%0.64175%0.753SS**  cis-173.9145.6-16.4-125.7177000104.6
30N38.7Very low36.2Very low136 Ų136146.1 Ų146.173%0.72776%0.758SS**  trans57.7113.5150.3-63.5-20.3000122.9
31N34.4Very low36.3Very low121 Ų121144 Ų14465%0.64776%0.76SS**  69.5107.8108.9-156.213.5000118.3
32H41.4Very low36.2Very low175 Ų175145.1 Ų145.181%0.8177%0.767SS**  -162.6124.4122.3-109.248.9000112
33N33.8Very low36.3Very low130 Ų130143.6 Ų143.670%0.69576%0.76SS**  trans-50.4146163.3-70.6-39.7000111.4
34N39.7Very low35.9Very low147 Ų147146.7 Ų146.779%0.78677%0.767SS**  -179124.3120.8-84.8-29.5000111.7
35N31.3Very low36.2Very low146 Ų146146 Ų14678%0.78177%0.768SS**  trans3135.6149.6-68-29.3000117.9
36I36.8Very low36.1Very low160 Ų160143 Ų14382%0.82176%0.764SS**  trans-170.5103.1130.5-90.6146.3000109.5
37T38Very low35.9Very low120 Ų120145.8 Ų145.874%0.73677%0.773SS**  trans36.7125.6135.464.80000122
38H31Very low35.8Very low181 Ų181145.6 Ų145.684%0.83878%0.777SS**  trans-23.5138.3153.5-59.6-92000117.5
39S33.1Very low35.5Very low123 Ų123144.5 Ų144.586%0.8678%0.776SS**  trans-151.4106.4148.5-81.40000110.9
40T29.8Very low35.2Very low141 Ų141146.8 Ų146.887%0.86578%0.784SS**  trans-68.3131.3162.846.90000110.3
41S35.7Very low34.7Very low101 Ų101148.8 Ų148.871%0.70679%0.791SS**  trans-161.6111.6155.262.30000113.5
42N37.9Very low34.8Very low160 Ų160151 Ų15186%0.85680%0.801SS**  66.7120.1122.9-58.3-19.6000121.1
43W29.4Very low34.3Very low187 Ų187148 Ų14871%0.70880%0.8SS**  trans-63.5140.7167.8-70.763.3000112.2P247W43-P247 HydrophobicContact CD2-CG 4.3Å; W43-P247 HydrophobicContact CH2-CG 3.52Å; W43-P247 HydrophobicContact CZ2-CG 3.13Å; W43-P247 HydrophobicContact CZ3-CG 4.21Å
44F31.3Very low34Very low209 Ų209147 Ų14792%0.91780%0.803SS**  trans-152.3123.6154-125.9-90.3000110.8
45T41.5Very low33.9Very low115 Ų115147 Ų14771%0.70681%0.808SS**PPolyproline II helixtrans-91.6138172.645.60000110.2
46P40.1Very low34.3Very low118 Ų118147.9 Ų147.977%0.76681%0.812SS**PPolyproline II helixtrans-87.8132.7170.831.6-26.9000111.9
47Q32.1Very low34.1Very low183 Ų183145.6 Ų145.686%0.85581%0.808SS**PPolyproline II helixtrans-64.8142.8160.3-73.6171.5-21.500110
48T36.7Very low34.1Very low142 Ų142148.1 Ų148.187%0.87182%0.815SS**  trans-130.1111.3158.4-51.80000108.4
49T32.2Very low34.3Very low114 Ų114145.2 Ų145.270%0.69981%0.812SS**  trans-98.1139170-58.80000108
50Q35.1Very low34.1Very low173 Ų173147.1 Ų147.181%0.80881%0.813SS**  160.3164126.4-84.3-165.220.800112.7
51M28.2Very low34.4Very low179 Ų179145.3 Ų145.388%0.88281%0.805SS**  trans81.6115.1-164.1-42.9-69.1-156.700110.1
52I35.5Very low34.3Very low166 Ų166146.8 Ų146.885%0.85181%0.81SS**  cis-159.813034.1-58.2160000107.7
53S30.2Very low34.1Very low112 Ų112143.9 Ų143.978%0.78380%0.803SS**  trans-74.5139.3163.1-63.50000108.3
54S28.8Very low34.2Very low109 Ų109140 Ų14076%0.76280%0.804SS**  172145.360.737.20000107.8
55V36.7Very low34.4Very low148 Ų148135.9 Ų135.990%0.89780%0.796SS**  trans171.4144.8136168.30000108.7
56L40.9Very low33.9Very low164 Ų164134.9 Ų134.986%0.85979%0.794SS**  trans-81.1168.6-153.2-65.5162.9000116.6
57P31.6Very low33.6Very low113 Ų113136.2 Ų136.273%0.73479%0.794SS**  trans-109.5153.9-170.338.7-27.7000114.9
58I37.8Very low33.7Very low172 Ų172134.4 Ų134.488%0.88279%0.788SS**  trans-142.3144.4164.8-58.8-176.7000110.1
59P35.5Very low33.6Very low120 Ų120135.5 Ų135.578%0.77978%0.784SS**  trans-108.2172.5-149.739.7-30.6000117
60N29.8Very low33.9Very low164 Ų164136.3 Ų136.388%0.87779%0.789SS**  trans-70.7153.7-178.7-64.2-27.9000116.1
61S35.5Very low33.9Very low102 Ų102133.7 Ų133.771%0.71378%0.784SS**  trans-168.2110.2148.439.70000109.1
62T34.5Very low34.4Very low132 Ų132132.4 Ų132.481%0.8178%0.781SS**  60.1131.198.1540000113.4
63S32.9Very low34.3Very low100 Ų100130.8 Ų130.870%0.69977%0.774SS**  cis-172.5162.716.7-81.90000108.9
64S31.8Very low34.9Very low105 Ų105134.2 Ų134.273%0.73478%0.777SS**  trans37.6141.5138.2-47.40000120.3
65T34.5Very low35Very low122 Ų122139.8 Ų139.875%0.74878%0.781SS**  cis-178.715235.4-11.70000109.2
66S32Very low35Very low95 Ų95144 Ų14466%0.66478%0.783SS**  trans26.3148.8139.268.80000121.2
67L34Very low34.7Very low146 Ų146139.6 Ų139.676%0.76477%0.765SS**  cis172.2170.429.5-124.5167.2000108.4
68I34.3Very low35.1Very low144 Ų144142.2 Ų142.274%0.73877%0.767SS**  trans90.7102160.2-57.1148.9000116.7
69H34.2Very low35.1Very low166 Ų166138 Ų13877%0.76975%0.753SS**  67111.786-104.1-90.4000115.5
70T37.5Very low35.1Very low131 Ų131141.6 Ų141.680%0.80476%0.757SS**  173.2136.3108.335.40000113.4
71V36.6Very low35.4Very low118 Ų118137.7 Ų137.772%0.71574%0.743SS**  trans-37.2146.4160.7-103.50000116.4
72D37Very low35.5Very low152 Ų152139.3 Ų139.381%0.81374%0.743SS**  -171.1155.5107.6-106-35.2000116.2
73N35.1Very low35.5Very low132 Ų132140.7 Ų140.771%0.70674%0.74SS**  trans-78.9165.6-169.2-76.6-60.4000115.9
74H41.3Very low35.8Very low183 Ų183142.4 Ų142.485%0.84775%0.746SS**  trans165.9100.5130.6-83.4-60.1000108.3
75R32.2Very low35.9Very low226 Ų226145 Ų14585%0.85375%0.752SS**  57.7105.780-148.6-172-149.3-173.87.5114.2
76Y35.8Very low36.2Very low238 Ų238143.6 Ų143.693%0.93375%0.745SS**  trans-157.7138.1138.9-115-83.4000110.4
77S35.1Very low36.2Very low70 Ų70148.5 Ų148.549%0.4976%0.755SS.*  trans-121.2173.6-165.9400000111.9
78H39.8Very low36.3Very low168 Ų168147.5 Ų147.578%0.77876%0.76SS**  trans85.6138.3159.9-59.5-59.8000116.4
79S37.7Very low36.4Very low84 Ų84148 Ų14859%0.58776%0.764SS**  cis-177.3151.54.8-90.80000110.5
80F35.3Very low36.4Very low196 Ų196146.1 Ų146.186%0.8677%0.766SS**  trans60.3143.2142.6-79.8-114.7000119
81S36.4Very low36.1Very low82 Ų82148.5 Ų148.557%0.57377%0.765SS**  cis-175.7153.324.7-129.10000112.5
82L38.1Very low36Very low136 Ų136152.1 Ų152.171%0.71277%0.774SS**  trans70.7112.6141.7-61.5159.1000119.9
83Q34.2Very low35.7Very low161 Ų161150.5 Ų150.575%0.75277%0.77SS**  94.3117.486-170.8152-3.800110.2
84T38.3Very low35.5Very low136 Ų136150.2 Ų150.283%0.83478%0.778SS**  -167.2162.972.244.30000112.9
85D35.2Very low35Very low158 Ų158146.7 Ų146.785%0.84577%0.774SS**  trans-97.8-168.3-163.6-130.3-3000113.5
86P40.7Very low35.1Very low94 Ų94143.1 Ų143.161%0.6177%0.771SS**  -122.2-179-126.133.5-10.7000117
87F31.2Very low34.9Very low197 Ų197140 Ų14086%0.86477%0.765SS**  trans72.5110.5167.1-77.7-85.2000119.9
88S36Very low34.7Very low125 Ų125141.7 Ų141.787%0.87478%0.777SS**  trans-166116.6142.1-74.30000110
89L36Very low34.3Very low156 Ų156141.4 Ų141.482%0.81778%0.781SS**  trans-77.1157162.4-69.1169.7000108.7
90P36.1Very low34.5Very low125 Ų125143.5 Ų143.581%0.81279%0.791SS**  -143.6160.391.428.7-8.1000115.6
91F29.5Very low34.5Very low181 Ų181141.5 Ų141.579%0.79479%0.787SS**  trans-46.1137.1169.7-98.9-113.7000113.9
92E35.4Very low34.4Very low194 Ų194144.6 Ų144.691%0.90779%0.792SS**  trans-141.7130143.9-115.3178.7-174.300110.3
93T30.6Very low34.4Very low119 Ų119145.1 Ų145.173%0.7379%0.791SS**  trans-82.1134-174.349.40000110.7
94S31.1Very low34.4Very low125 Ų125147.7 Ų147.787%0.87480%0.795SS**  trans-151.5133.615117.10000111.7
95S30.1Very low34.6Very low109 Ų109145.9 Ų145.976%0.76278%0.78SS**  trans-91.3114.3-165.648.70000112
96L35.1Very low34.8Very low151 Ų151144.6 Ų144.679%0.79177%0.769SS**  trans-145.6114.2162.7-73175.9000111.5
97H31.7Very low34.9Very low174 Ų174145.1 Ų145.181%0.80677%0.767SS**  trans63.582.2146.8-59.887.9000119.5
98S30.3Very low35.3Very low104 Ų104144.1 Ų144.173%0.72776%0.758SS**  trans-119.885.4160.6-74.10000110.3
99N31.7Very low35.5Very low162 Ų162141.7 Ų141.787%0.86674%0.736SS**SBendtrans-136.18.6174-85.4-27.5000115.5
100T40.8Very low36Very low129 Ų129143.3 Ų143.379%0.79173%0.731SS**SBendtrans-124-14.5-175.7-49.40000114.7
101I35.6Very low36.4Very low153 Ų153144.6 Ų144.679%0.78573%0.726SS**SBendtrans-91.8-17-174.2-61-179.8000113.1H103I101-H103 PolarHBondContact O-N 3.35Å
102H35.2Very low37.1Very low147 Ų147140.6 Ų140.668%0.68171%0.712SS**Hα-helixtrans-77-20.3-175.2-89.2-81000115.3
103H37.3Very low37.7Very low148 Ų148136.9 Ų136.969%0.68570%0.695SS**Hα-helixtrans-80.8-22.7-174.5-121.472.2000114.4I101I101-H103 PolarHBondContact O-N 3.35Å
104Y35.5Very low38.9Very low215 Ų215133.9 Ų133.984%0.84368%0.679SS**Hα-helixtrans-81.3-20.3179-119.9-91.8000113.1
105N41.5Very low39.9Very low98 Ų98129.7 Ų129.752%0.52466%0.655SS.*Hα-helixtrans-89.8-25.7-174.8-152.6-6.4000112.9N109N105-N109 WeakPolarHBondContact O-CB 3.44Å; N105-N109 PolarHBondContact O-N 3.06Å; N105-N109 PolarHBondContact O-ND2 3.18Å; N105-N109 PolarHBondContact OD1-ND2 3.48Å
106E40.2Very low41.2Very low130 Ų130128.4 Ų128.461%0.60764%0.642SS**Hα-helixtrans-71.8-38.3178.2-73.6-162.3153.700113R110E106-R110 WeakPolarHBondContact O-CB 3.35Å; E106-R110 WeakPolarHBondContact O-CG 3.43Å; E106-R110 PolarHBondContact O-N 2.8Å
107N42.3Very low42.1Very low105 Ų105127.3 Ų127.356%0.56163%0.633SS**Hα-helixtrans-70.3-35.3-178.6-79.2-36.5000113.2H111N107-H111 PolarHBondContact O-N 3.17Å
108Y39.2Very low43.2Very low176 Ų176124.6 Ų124.669%0.6962%0.621SS**Hα-helixtrans-71.4-41.4177-142.3-90.6000111.5H111 L112Y108-H111 PolarHBondContact O-N 3.42Å; Y108-L112 HydrophobicContact CD1-CD1 3.81Å; Y108-L112 HydrophobicContact CE1-CD1 4.06Å; Y108-L112 PolarHBondContact O-N 3.32Å; Y108-L112 VanDerWaalsContact O-N 3.09Å
109N40.5Very low44.1Very low74 Ų74125.2 Ų125.240%0.39661%0.608SS.*Hα-helixtrans-67.9-34.4175.6-77.7-55000112.4N105 H113N105-N109 WeakPolarHBondContact O-CB 3.44Å; N105-N109 PolarHBondContact O-N 3.06Å; N105-N109 PolarHBondContact O-ND2 3.18Å; N105-N109 PolarHBondContact OD1-ND2 3.48Å; N109-H113 VanDerWaalsContact O-CB 3.29Å; N109-H113 WeakPolarHBondContact O-CB 3.46Å; N109-H113 PolarHBondContact O-N 3.02Å; N109-H113 PolarHBondContact O-ND1 3.02Å
110R46.4Very low45.3Very low190 Ų190121.1 Ų121.172%0.71759%0.586SS**Hα-helixtrans-65.3-40.8173.9-76.9-109.4-71.1-166.9-3.3112.8E106 S114E106-R110 WeakPolarHBondContact O-CB 3.35Å; E106-R110 WeakPolarHBondContact O-CG 3.43Å; E106-R110 PolarHBondContact O-N 2.8Å; R110-S114 VanDerWaalsContact O-CB 3.27Å; R110-S114 WeakPolarHBondContact O-CB 3.5Å; R110-S114 PolarHBondContact O-N 3.39Å
111H44.4Very low46.3Very low153 Ų153118.7 Ų118.771%0.70857%0.574SS**Hα-helixtrans-69.8-39.9177.4-104.281.8000112.8N107 Y108 S114 G115N107-H111 PolarHBondContact O-N 3.17Å; Y108-H111 PolarHBondContact O-N 3.42Å; H111-S114 WeakPolarHBondContact O-CB 3.41Å; H111-S114 PolarHBondContact O-N 2.94Å; H111-G115 PolarHBondContact O-N 3.16Å
112L45.2Very low47.5Very low97 Ų97116.8 Ų116.851%0.50857%0.565SS.*Hα-helixtrans-67.6-40.4174.5-78.1165.9000112.2Y108 S114 G115 V116Y108-L112 HydrophobicContact CD1-CD1 3.81Å; Y108-L112 HydrophobicContact CE1-CD1 4.06Å; Y108-L112 PolarHBondContact O-N 3.32Å; Y108-L112 VanDerWaalsContact O-N 3.09Å; L112-S114 VanDerWaalsContact C-N 3.34Å; L112-G115 PolarHBondContact O-N 3.12Å; L112-V116 WeakPolarHBondContact O-CB 3.49Å; L112-V116 VanDerWaalsContact O-CG2 3.27Å; L112-V116 WeakPolarHBondContact O-CG2 3.26Å; L112-V116 PolarHBondContact O-N 3.25Å
113H48.1Very low48.5Very low116 Ų116115 Ų11554%0.53756%0.556SS.*Hα-helixtrans-65.2-37.9173.8-81.778.9000111.9N109 Q117N109-H113 VanDerWaalsContact O-CB 3.29Å; N109-H113 WeakPolarHBondContact O-CB 3.46Å; N109-H113 PolarHBondContact O-N 3.02Å; N109-H113 PolarHBondContact O-ND1 3.02Å; H113-Q117 WeakPolarHBondContact O-CB 3.41Å; H113-Q117 WeakPolarHBondContact O-CG 3.19Å; H113-Q117 PolarHBondContact O-N 3.39Å
114S54.4Low49.9Very low56 Ų56110.9 Ų110.939%0.39254%0.539SS..Hα-helixtrans-60-49.2173.81660000112.1R110 H111 L112 Q117 Q118R110-S114 VanDerWaalsContact O-CB 3.27Å; R110-S114 WeakPolarHBondContact O-CB 3.5Å; R110-S114 PolarHBondContact O-N 3.39Å; H111-S114 WeakPolarHBondContact O-CB 3.41Å; H111-S114 PolarHBondContact O-N 2.94Å; L112-S114 VanDerWaalsContact C-N 3.34Å; S114-Q117 PolarHBondContact O-N 3.01Å; S114-Q118 WeakPolarHBondContact O-CB 3.48Å; S114-Q118 PolarHBondContact O-N 2.74Å
115G51.9Low51.5Low36 Ų36104.2 Ų104.237%0.37152%0.522SS..Hα-helixtrans-66.1-40.117900000113.5H111 L112 Q118 Y119H111-G115 PolarHBondContact O-N 3.16Å; L112-G115 PolarHBondContact O-N 3.12Å; G115-Q118 PolarHBondContact O-N 2.82Å; G115-Y119 PolarHBondContact O-N 3.47Å
116V57.4Low52.3Low82 Ų82106.5 Ų106.550%0.49752%0.524SS..Hα-helixtrans-70.7-36176.6173.50000111.5L112 N120L112-V116 WeakPolarHBondContact O-CB 3.49Å; L112-V116 VanDerWaalsContact O-CG2 3.27Å; L112-V116 WeakPolarHBondContact O-CG2 3.26Å; L112-V116 PolarHBondContact O-N 3.25Å; V116-N120 WeakPolarHBondContact CG1-ND2 3.39Å; V116-N120 VanDerWaalsContact O-CB 3.27Å; V116-N120 WeakPolarHBondContact O-CB 3.47Å; V116-N120 VanDerWaalsContact O-CG 3.22Å; V116-N120 PolarHBondContact O-N 2.73Å; V116-N120 PolarHBondContact O-ND2 3.1Å
117Q54.1Low53.5Low128 Ų128103 Ų10360%0.59851%0.507SS*.Hα-helixtrans-69.6-39174.1-75.3-1805.700112H113 S114 N120 S121H113-Q117 WeakPolarHBondContact O-CB 3.41Å; H113-Q117 WeakPolarHBondContact O-CG 3.19Å; H113-Q117 PolarHBondContact O-N 3.39Å; S114-Q117 PolarHBondContact O-N 3.01Å; Q117-N120 PolarHBondContact O-N 3.13Å; Q117-S121 WeakPolarHBondContact O-CB 3.11Å; Q117-S121 PolarHBondContact O-N 3.3Å; Q117-S121 PolarHBondContact O-OG 2.77Å
118Q55.3Low54.9Low118 Ų118102.5 Ų102.555%0.55151%0.505SS*.Hα-helixtrans-62.8-44.1171.9-89.2-173.6-2400112.2S114 G115 S121 L122S114-Q118 WeakPolarHBondContact O-CB 3.48Å; S114-Q118 PolarHBondContact O-N 2.74Å; G115-Q118 PolarHBondContact O-N 2.82Å; Q118-S121 PolarHBondContact O-N 3.38Å; Q118-S121 PolarHBondContact O-OG 3.45Å; Q118-L122 VanDerWaalsContact O-CB 3.29Å; Q118-L122 WeakPolarHBondContact O-CB 3.41Å; Q118-L122 WeakPolarHBondContact O-CG 3.37Å; Q118-L122 PolarHBondContact O-N 3.16Å
119Y49.5Very low56.2Low117 Ų117100.3 Ų100.346%0.45950%0.496SS..Iπ-helixtrans-62.2-44174.5-180-93.6000111.4G115 S121 F123 N124G115-Y119 PolarHBondContact O-N 3.47Å; Y119-S121 PolarHBondContact O-N 3.27Å; Y119-F123 HydrophobicContact CD2-CB 3.89Å; Y119-F123 HydrophobicContact CD2-CD2 4.32Å; Y119-F123 HydrophobicContact CD2-CG 4.23Å; Y119-F123 HydrophobicContact CE2-CB 3.89Å; Y119-F123 HydrophobicContact CE2-CG 4.36Å; Y119-F123 HydrophobicContact CG-CB 4.41Å; Y119-F123 WeakPolarHBondContact O-CA 3.13Å; Y119-F123 WeakPolarHBondContact O-CB 3.2Å; Y119-F123 PolarHBondContact O-N 3.01Å; Y119-N124 PolarHBondContact O-N 3.06Å
120N57.6Low57.4Low75 Ų7599.3 Ų99.340%0.40149%0.491SS..Iπ-helixtrans-67.9-32.8179.9-77.2-36.1000113.4V116 Q117 N124V116-N120 WeakPolarHBondContact CG1-ND2 3.39Å; V116-N120 VanDerWaalsContact O-CB 3.27Å; V116-N120 WeakPolarHBondContact O-CB 3.47Å; V116-N120 VanDerWaalsContact O-CG 3.22Å; V116-N120 PolarHBondContact O-N 2.73Å; V116-N120 PolarHBondContact O-ND2 3.1Å; Q117-N120 PolarHBondContact O-N 3.13Å; N120-N124 WeakPolarHBondContact O-CB 3.47Å; N120-N124 PolarHBondContact OD1-ND2 3.39Å
121S61.3Low58.2Low79 Ų7993.3 Ų93.355%0.55247%0.472SS*.Iπ-helixtrans-84.9-37.1-179.373.60000113.2Q117 Q118 Y119 P125Q117-S121 WeakPolarHBondContact O-CB 3.11Å; Q117-S121 PolarHBondContact O-N 3.3Å; Q117-S121 PolarHBondContact O-OG 2.77Å; Q118-S121 PolarHBondContact O-N 3.38Å; Q118-S121 PolarHBondContact O-OG 3.45Å; Y119-S121 PolarHBondContact O-N 3.27Å; S121-P125 WeakPolarHBondContact O-CG 3.42Å
122L59.8Low59.1Low113 Ų11394.8 Ų94.859%0.59247%0.472SS*.Iπ-helixtrans-93.3-44.4-175.6-64.2171.6000112.7Q118Q118-L122 VanDerWaalsContact O-CB 3.29Å; Q118-L122 WeakPolarHBondContact O-CB 3.41Å; Q118-L122 WeakPolarHBondContact O-CG 3.37Å; Q118-L122 PolarHBondContact O-N 3.16Å
123F55.8Low59.4Low110 Ų11096 Ų9648%0.48247%0.47SS..Iπ-helixtrans-98.2-30.4-168.6-77.6-89.2000113.5Y119 Y126 H127Y119-F123 HydrophobicContact CD2-CB 3.89Å; Y119-F123 HydrophobicContact CD2-CD2 4.32Å; Y119-F123 HydrophobicContact CD2-CG 4.23Å; Y119-F123 HydrophobicContact CE2-CB 3.89Å; Y119-F123 HydrophobicContact CE2-CG 4.36Å; Y119-F123 HydrophobicContact CG-CB 4.41Å; Y119-F123 WeakPolarHBondContact O-CA 3.13Å; Y119-F123 WeakPolarHBondContact O-CB 3.2Å; Y119-F123 PolarHBondContact O-N 3.01Å; F123-Y126 PolarHBondContact O-N 3.32Å; F123-H127 WeakPolarHBondContact O-CB 3.12Å; F123-H127 PolarHBondContact O-N 3.38Å
124N67.9Low59.8Low61 Ų6193.5 Ų93.533%0.32646%0.461SS..Hα-helixtrans-65.8-42.7-178.2-137.45.8000113.3Y119 N120 Y126 H127 N128Y119-N124 PolarHBondContact O-N 3.06Å; N120-N124 WeakPolarHBondContact O-CB 3.47Å; N120-N124 PolarHBondContact OD1-ND2 3.39Å; N124-Y126 VanDerWaalsContact C-N 3.31Å; N124-Y126 PolarHBondContact O-N 3.33Å; N124-H127 PolarHBondContact O-N 3.25Å; N124-N128 WeakPolarHBondContact O-CB 3.21Å; N124-N128 VanDerWaalsContact O-CG 3.25Å; N124-N128 PolarHBondContact O-N 3.2Å; N124-N128 PolarHBondContact O-ND2 3.25Å; N124-N128 VanDerWaalsContact O-ND2 3.16Å
125P69.6Low60Low75 Ų7595.5 Ų95.549%0.48747%0.467SS..Hα-helixtrans-62.9-38.3173.4-22.434.6000112.3S121 N128 Y129S121-P125 WeakPolarHBondContact O-CG 3.42Å; P125-N128 PolarHBondContact O-N 2.76Å; P125-Y129 VanDerWaalsContact O-CB 3.31Å; P125-Y129 WeakPolarHBondContact O-CB 3.31Å; P125-Y129 PolarHBondContact O-N 3.19Å
126Y57.1Low60.3Low145 Ų14595.8 Ų95.857%0.56946%0.461SS*.Hα-helixtrans-66.8-42.6176.7-175-104.9000112F123 N124 Y129 I130F123-Y126 PolarHBondContact O-N 3.32Å; N124-Y126 VanDerWaalsContact C-N 3.31Å; N124-Y126 PolarHBondContact O-N 3.33Å; Y126-Y129 WeakPolarHBondContact O-CB 3.38Å; Y126-Y129 PolarHBondContact O-N 3.21Å; Y126-I130 HydrophobicContact CD1-CD1 3.69Å; Y126-I130 HydrophobicContact CE1-CD1 3.22Å; Y126-I130 HydrophobicContact CE1-CG1 4.3Å; Y126-I130 HydrophobicContact CE2-CD1 4.37Å; Y126-I130 HydrophobicContact CG-CD1 4.45Å; Y126-I130 WeakPolarHBondContact O-CG1 3.46Å; Y126-I130 PolarHBondContact O-N 2.99Å
127H66.2Low60.1Low56 Ų5698.5 Ų98.526%0.25947%0.468SS..Hα-helixtrans-65.7-41.8174.8-110.9-47.6000112.1F123 N124 Y129 I130 N131 H255F123-H127 WeakPolarHBondContact O-CB 3.12Å; F123-H127 PolarHBondContact O-N 3.38Å; N124-H127 PolarHBondContact O-N 3.25Å; H127-Y129 VanDerWaalsContact C-N 3.33Å; H127-I130 PolarHBondContact O-N 3.28Å; H127-N131 VanDerWaalsContact O-CB 3.31Å; H127-N131 WeakPolarHBondContact O-CB 3.44Å; H127-N131 PolarHBondContact O-N 3.1Å; H127-N131 PolarHBondContact O-ND2 3.23Å; H127-N131 VanDerWaalsContact O-ND2 3.13Å; H127-H255 AromaticContact CE1-CE1 3.81Å
128N70.5Confident59.8Low95 Ų9594.6 Ų94.651%0.50845%0.451SS..Hα-helixtrans-64.1-38.7174.8-74.1-31.4000111.7N124 P125 N131 R132N124-N128 WeakPolarHBondContact O-CB 3.21Å; N124-N128 VanDerWaalsContact O-CG 3.25Å; N124-N128 PolarHBondContact O-N 3.2Å; N124-N128 PolarHBondContact O-ND2 3.25Å; N124-N128 VanDerWaalsContact O-ND2 3.16Å; P125-N128 PolarHBondContact O-N 2.76Å; N128-N131 PolarHBondContact O-N 3.19Å; N128-R132 VanDerWaalsContact O-CB 3.25Å; N128-R132 WeakPolarHBondContact O-CB 3.4Å; N128-R132 PolarHBondContact O-N 3.46Å
129Y68.1Low59.6Low130 Ų13093.7 Ų93.751%0.5145%0.45SS..Hα-helixtrans-61.7-52.4172.6178.6-91.8000110.8P125 Y126 H127 N131 R132 W133P125-Y129 VanDerWaalsContact O-CB 3.31Å; P125-Y129 WeakPolarHBondContact O-CB 3.31Å; P125-Y129 PolarHBondContact O-N 3.19Å; Y126-Y129 WeakPolarHBondContact O-CB 3.38Å; Y126-Y129 PolarHBondContact O-N 3.21Å; H127-Y129 VanDerWaalsContact C-N 3.33Å; Y129-N131 VanDerWaalsContact C-N 3.27Å; Y129-N131 PolarHBondContact O-N 3.26Å; Y129-R132 CarbonylContact O-C 3.58Å; Y129-R132 WeakPolarHBondContact O-CB 3.38Å; Y129-R132 PolarHBondContact O-N 2.88Å; Y129-R132 VanDerWaalsContact O-N 3.08Å; Y129-W133 AromaticContact CD1-CD1 3.5Å; Y129-W133 VanDerWaalsContact CD1-CD1 3.5Å; Y129-W133 HydrophobicContact CD1-CG 4.46Å; Y129-W133 AromaticContact CD1-NE1 3.98Å; Y129-W133 AromaticContact CD2-CD1 3.6Å; Y129-W133 AromaticContact CD2-NE1 3.46Å; Y129-W133 AromaticContact CE1-CD1 3.29Å; Y129-W133 HydrophobicContact CE1-CG 4.13Å; Y129-W133 AromaticContact CE1-NE1 3.46Å; Y129-W133 AromaticContact CE2-CD1 3.45Å; Y129-W133 VanDerWaalsContact CE2-CD1 3.45Å; Y129-W133 AromaticContact CE2-CE2 3.92Å; Y129-W133 AromaticContact CE2-NE1 2.88Å; Y129-W133 AromaticContact CG-CD1 3.64Å; Y129-W133 AromaticContact CG-NE1 3.99Å; Y129-W133 AromaticContact CZ-CD1 3.28Å; Y129-W133 AromaticContact CZ-CE2 3.63Å; Y129-W133 AromaticContact CZ-NE1 2.87Å; Y129-W133 PolarHBondContact O-N 2.9Å; Y129-W133 PolarHBondContact OH-NE1 3.08Å; Y129-W133 VanDerWaalsContact OH-NE1 3.15Å
130I65.5Low59.6Low54 Ų5495.6 Ų95.628%0.27747%0.468SS..Hα-helixtrans-57.2-41.9177-72.1172.4000111.2Y126 H127 W133 N134Y126-I130 HydrophobicContact CD1-CD1 3.69Å; Y126-I130 HydrophobicContact CE1-CD1 3.22Å; Y126-I130 HydrophobicContact CE1-CG1 4.3Å; Y126-I130 HydrophobicContact CE2-CD1 4.37Å; Y126-I130 HydrophobicContact CG-CD1 4.45Å; Y126-I130 WeakPolarHBondContact O-CG1 3.46Å; Y126-I130 PolarHBondContact O-N 2.99Å; H127-I130 PolarHBondContact O-N 3.28Å; I130-W133 PolarHBondContact O-N 2.64Å; I130-N134 VanDerWaalsContact CG2-ND2 3.33Å; I130-N134 WeakPolarHBondContact CG2-ND2 3.25Å; I130-N134 VanDerWaalsContact O-CB 3.26Å; I130-N134 WeakPolarHBondContact O-CB 3.44Å; I130-N134 PolarHBondContact O-N 3.28Å; I130-N134 PolarHBondContact O-ND2 3.15Å
131N62.2Low59.2Low63 Ų6396.4 Ų96.434%0.33748%0.475SS..Hα-helixtrans-68.6-36.9178.2-69.4-24.8000112.2H127 N128 Y129 N135H127-N131 VanDerWaalsContact O-CB 3.31Å; H127-N131 WeakPolarHBondContact O-CB 3.44Å; H127-N131 PolarHBondContact O-N 3.1Å; H127-N131 PolarHBondContact O-ND2 3.23Å; H127-N131 VanDerWaalsContact O-ND2 3.13Å; N128-N131 PolarHBondContact O-N 3.19Å; Y129-N131 VanDerWaalsContact C-N 3.27Å; Y129-N131 PolarHBondContact O-N 3.26Å; N131-N135 WeakPolarHBondContact O-CB 3.46Å; N131-N135 PolarHBondContact O-N 3.1Å; N131-N135 PolarHBondContact O-ND2 3Å
132R64Low58.5Low184 Ų18499.7 Ų99.769%0.69449%0.487SS*.Hα-helixtrans-66.1-44.8173.7-173.9-179.1-113.3-168.9-3.7110.9N128 Y129 N135 V136N128-R132 VanDerWaalsContact O-CB 3.25Å; N128-R132 WeakPolarHBondContact O-CB 3.4Å; N128-R132 PolarHBondContact O-N 3.46Å; Y129-R132 CarbonylContact O-C 3.58Å; Y129-R132 WeakPolarHBondContact O-CB 3.38Å; Y129-R132 PolarHBondContact O-N 2.88Å; Y129-R132 VanDerWaalsContact O-N 3.08Å; R132-N135 PolarHBondContact O-N 3.49Å; R132-V136 VanDerWaalsContact O-CG2 3.32Å; R132-V136 WeakPolarHBondContact O-CG2 3.49Å; R132-V136 PolarHBondContact O-N 3.41Å
133W52.1Low58Low123 Ų12398.2 Ų98.247%0.46648%0.484SS..Hα-helixtrans-66.3-41.8176.9-84.390.6000112.6Y129 I130 N135 V136 Q137Y129-W133 AromaticContact CD1-CD1 3.5Å; Y129-W133 VanDerWaalsContact CD1-CD1 3.5Å; Y129-W133 HydrophobicContact CD1-CG 4.46Å; Y129-W133 AromaticContact CD1-NE1 3.98Å; Y129-W133 AromaticContact CD2-CD1 3.6Å; Y129-W133 AromaticContact CD2-NE1 3.46Å; Y129-W133 AromaticContact CE1-CD1 3.29Å; Y129-W133 HydrophobicContact CE1-CG 4.13Å; Y129-W133 AromaticContact CE1-NE1 3.46Å; Y129-W133 AromaticContact CE2-CD1 3.45Å; Y129-W133 VanDerWaalsContact CE2-CD1 3.45Å; Y129-W133 AromaticContact CE2-CE2 3.92Å; Y129-W133 AromaticContact CE2-NE1 2.88Å; Y129-W133 AromaticContact CG-CD1 3.64Å; Y129-W133 AromaticContact CG-NE1 3.99Å; Y129-W133 AromaticContact CZ-CD1 3.28Å; Y129-W133 AromaticContact CZ-CE2 3.63Å; Y129-W133 AromaticContact CZ-NE1 2.87Å; Y129-W133 PolarHBondContact O-N 2.9Å; Y129-W133 PolarHBondContact OH-NE1 3.08Å; Y129-W133 VanDerWaalsContact OH-NE1 3.15Å; I130-W133 PolarHBondContact O-N 2.64Å; W133-N135 VanDerWaalsContact C-N 3.34Å; W133-N135 PolarHBondContact O-N 2.92Å; W133-V136 PolarHBondContact O-N 3.39Å; W133-Q137 WeakPolarHBondContact O-CB 3.14Å; W133-Q137 WeakPolarHBondContact O-CG 3.49Å; W133-Q137 PolarHBondContact O-N 3Å
134N56.5Low57.4Low64 Ų6498.1 Ų98.134%0.34249%0.494SS..Hα-helixtrans-58.9-48.5170.3-74.7-38.2000109.4I130 V136 Q137 M138I130-N134 VanDerWaalsContact CG2-ND2 3.33Å; I130-N134 WeakPolarHBondContact CG2-ND2 3.25Å; I130-N134 VanDerWaalsContact O-CB 3.26Å; I130-N134 WeakPolarHBondContact O-CB 3.44Å; I130-N134 PolarHBondContact O-N 3.28Å; I130-N134 PolarHBondContact O-ND2 3.15Å; N134-V136 PolarHBondContact O-N 3.4Å; N134-Q137 PolarHBondContact O-N 3.29Å; N134-M138 WeakPolarHBondContact O-CB 3.42Å; N134-M138 WeakPolarHBondContact O-CG 3.49Å; N134-M138 PolarHBondContact O-N 2.82Å
135N57.3Low56.4Low97 Ų97102.5 Ų102.552%0.51952%0.523SS..Hα-helixtrans-60.1-39177.3-84.3-32.7000114.3N131 R132 W133 M138 N139N131-N135 WeakPolarHBondContact O-CB 3.46Å; N131-N135 PolarHBondContact O-N 3.1Å; N131-N135 PolarHBondContact O-ND2 3Å; R132-N135 PolarHBondContact O-N 3.49Å; W133-N135 VanDerWaalsContact C-N 3.34Å; W133-N135 PolarHBondContact O-N 2.92Å; N135-M138 PolarHBondContact O-N 3.36Å; N135-N139 PolarHBondContact O-N 3.25Å
136V58.5Low55.3Low43 Ų43107 Ų10726%0.26154%0.538SS..Hα-helixtrans-64.5-45.8176170.40000110.9R132 W133 N134 M138 N140R132-V136 VanDerWaalsContact O-CG2 3.32Å; R132-V136 WeakPolarHBondContact O-CG2 3.49Å; R132-V136 PolarHBondContact O-N 3.41Å; W133-V136 PolarHBondContact O-N 3.39Å; N134-V136 PolarHBondContact O-N 3.4Å; V136-M138 PolarHBondContact O-N 3.29Å; V136-N140 PolarHBondContact O-N 3.11Å
137Q53.1Low54.1Low138 Ų138108 Ų10865%0.64555%0.553SS**Hα-helixtrans-65.8-21.7174.7-67-68.8-57.200112.9W133 N134W133-Q137 WeakPolarHBondContact O-CB 3.14Å; W133-Q137 WeakPolarHBondContact O-CG 3.49Å; W133-Q137 PolarHBondContact O-N 3Å; N134-Q137 PolarHBondContact O-N 3.29Å
138M48.2Very low52.9Low47 Ų47109 Ų10923%0.23257%0.57CS.*Hα-helixtrans-97.6-20.6-169.1-80.2-68.4163.300114N134 N135 V136 K205N134-M138 WeakPolarHBondContact O-CB 3.42Å; N134-M138 WeakPolarHBondContact O-CG 3.49Å; N134-M138 PolarHBondContact O-N 2.82Å; N135-M138 PolarHBondContact O-N 3.36Å; V136-M138 PolarHBondContact O-N 3.29Å; M138-K205 WeakPolarHBondContact O-CD 3.46Å; M138-K205 PolarHBondContact O-NZ 3.42Å; M138-K205 HydrophobicContact SD-CD 4.41Å; M138-K205 PolarHBondContact SD-NZ 3.43Å
139N51.7Low51.7Low98 Ų98111 Ų11152%0.52459%0.586SS.*Hα-helixtrans-125.51.6-173.8-65.8-9.7000114N135 V141N135-N139 PolarHBondContact O-N 3.25Å; N139-V141 HydrophobicContact CB-CG2 3.9Å; N139-V141 WeakPolarHBondContact O-CG2 3.28Å; N139-V141 PolarHBondContact O-N 2.9Å
140N48.4Very low50.6Low158 Ų158111.8 Ų111.885%0.84560%0.596SS**  trans48.333.4-175.9-150.529.5000113.2V136V136-N140 PolarHBondContact O-N 3.11Å
141V48.5Very low49.9Very low92 Ų92114.7 Ų114.756%0.55861%0.612SS**  trans-99.2115.3178.3178.80000107.4N139N139-V141 HydrophobicContact CB-CG2 3.9Å; N139-V141 WeakPolarHBondContact O-CG2 3.28Å; N139-V141 PolarHBondContact O-N 2.9Å
142N48.5Very low49.1Very low147 Ų147116.5 Ų116.579%0.78663%0.626SS**PPolyproline II helixtrans-55.8128.5168.5-72.1-40.8000108.8
143P49Very low48.2Very low82 Ų82112.2 Ų112.253%0.53262%0.62SS.*PPolyproline II helixtrans-61.5142.4175.825.1-31.7000110V145P143-V145 PolarHBondContact O-N 3.33Å
144P42.4Very low48Very low109 Ų109114.1 Ų114.171%0.70863%0.632SS**PPolyproline II helixtrans-63132.8172.9-8.222.6000108.8E146P144-E146 VanDerWaalsContact C-N 3.34Å; P144-E146 PolarHBondContact O-N 2.88Å
145V46.5Very low47.5Very low152 Ų152115.3 Ų115.392%0.92164%0.641SS**  trans-72.491.6170.5-177.70000106.9P143P143-V145 PolarHBondContact O-N 3.33Å
146E46.5Very low46.8Very low171 Ų171117.1 Ų117.180%0.79965%0.648SS**  trans-124.8129167.8-79.4-175.9173.600109.6P144 A148P144-E146 VanDerWaalsContact C-N 3.34Å; P144-E146 PolarHBondContact O-N 2.88Å; E146-A148 PolarHBondContact O-N 3.02Å
147D33Very low46.2Very low165 Ų165124 Ų12488%0.88267%0.67SS**  trans-39.5112.2-176.9-87.2-43.8000114.1
148A40.8Very low45.8Very low76 Ų76123.9 Ų123.963%0.62867%0.672SS**  trans-147.686.9157.300000108.9E146 M150E146-A148 PolarHBondContact O-N 3.02Å; A148-M150 PolarHBondContact O-N 3.45Å
149T44Very low45.7Very low137 Ų137129 Ų12984%0.8470%0.696SS**  trans-54.871155.543.10000110.2
150M46.6Very low45.5Very low147 Ų147134 Ų13472%0.72471%0.707SS**  trans-127.380.9177.4-89-86.3-85.300109.4A148 V152A148-M150 PolarHBondContact O-N 3.45Å; M150-V152 VanDerWaalsContact C-N 3.34Å; M150-V152 PolarHBondContact O-N 3.03Å
151N49.3Very low45.4Very low115 Ų115132.6 Ų132.662%0.61570%0.7SS**  trans46.238.2145-66.8-29.7000118.6T153 K154N151-T153 PolarHBondContact O-N 3.4Å; N151-T153 VanDerWaalsContact O-N 3.09Å; N151-K154 HydrophobicContact CB-CB 4.49Å; N151-K154 PolarHBondContact O-N 3.24Å
152V46.3Very low45.4Very low102 Ų102135.9 Ų135.962%0.61871%0.708SS**Hα-helixtrans-55.8-25.1171.21790000111.9M150 K154 T155 M156M150-V152 VanDerWaalsContact C-N 3.34Å; M150-V152 PolarHBondContact O-N 3.03Å; V152-K154 VanDerWaalsContact C-N 3.33Å; V152-K154 PolarHBondContact O-N 3.06Å; V152-T155 PolarHBondContact O-OG1 2.95Å; V152-M156 HydrophobicContact CG1-CG 4.26Å; V152-M156 WeakPolarHBondContact O-CB 3.48Å; V152-M156 VanDerWaalsContact O-CG 3.26Å; V152-M156 WeakPolarHBondContact O-CG 3.2Å; V152-M156 PolarHBondContact O-N 3.03Å
153T45.7Very low45.3Very low94 Ų94135.2 Ų135.258%0.57770%0.701SS**Hα-helixtrans-72-20.5177.8-37.50000113.8N151N151-T153 PolarHBondContact O-N 3.4Å; N151-T153 VanDerWaalsContact O-N 3.09Å
154K46.8Very low45.2Very low163 Ų163135.6 Ų135.671%0.70971%0.705SS**Hα-helixtrans-88.9-27.7-178.8-152.1170.7-171.7175.40112.7N151 V152N151-K154 HydrophobicContact CB-CB 4.49Å; N151-K154 PolarHBondContact O-N 3.24Å; V152-K154 VanDerWaalsContact C-N 3.33Å; V152-K154 PolarHBondContact O-N 3.06Å
155T46.5Very low45.6Very low89 Ų89138.6 Ų138.655%0.54671%0.71SS.*Hα-helixtrans-86.9-27.8178.856.10000112.8V152 H159V152-T155 PolarHBondContact O-OG1 2.95Å; T155-H159 PolarHBondContact O-ND1 3.44Å
156M42Very low45.5Very low135 Ų135141.9 Ų141.967%0.66571%0.705SS**Hα-helixtrans-74.7-28.1174.6-72.3-84.4-94.700113.3V152V152-M156 HydrophobicContact CG1-CG 4.26Å; V152-M156 WeakPolarHBondContact O-CB 3.48Å; V152-M156 VanDerWaalsContact O-CG 3.26Å; V152-M156 WeakPolarHBondContact O-CG 3.2Å; V152-M156 PolarHBondContact O-N 3.03Å
157R46.3Very low45.6Very low188 Ų188143.4 Ų143.471%0.70970%0.704SS**THydrogen-bonded Turntrans-75.1-23179.6-89.4-178.4174.5139.8-1.5114.6
158L45.3Very low46.5Very low134 Ų134143.2 Ų143.270%0.70270%0.698SS**THydrogen-bonded Turntrans-77.9-21.8176.8-70.3170.4000113.1
159H46.4Very low46.9Very low156 Ų156147.3 Ų147.372%0.72270%0.704SS**THydrogen-bonded Turntrans-91.8-14.3-176.7-72.186.2000114T155T155-H159 PolarHBondContact O-ND1 3.44Å
160R47.1Very low47.1Very low202 Ų202149.6 Ų149.676%0.76270%0.704SS**SBendtrans-86.2-21.7-174.5-153.7170.7-169.3167.82114.1
161N46.7Very low47.1Very low129 Ų129153.2 Ų153.269%0.6971%0.71SS**SBendtrans-92.2-13.6-174.7-79.2-10.6000115.1
162H48.6Very low47Very low160 Ų160156.4 Ų156.474%0.74172%0.721SS**SBendtrans-90.3-8.9177.3-91.4-68.5000114.7
163H46.5Very low47.3Very low134 Ų134160.1 Ų160.162%0.6273%0.731SS**SBendtrans-98.1-13.2-176.4-123.729.2000114.5
164S46.9Very low47.3Very low89 Ų89163.4 Ų163.462%0.62275%0.745SS**SBendtrans-92.3-17.1-177.1-57.70000114.5
165Q49.2Very low47.4Very low173 Ų173163.1 Ų163.181%0.80875%0.751SS**SBendtrans-93.5-11.5179.1-73.2-173.70.600114.4
166R46Very low47.9Very low220 Ų220167.6 Ų167.683%0.8377%0.766SS**SBendtrans-98.32.6-175.3-146.1176.7176.9-159.2-1.8114.5
167R48.7Very low48.3Very low203 Ų203170.9 Ų170.977%0.76678%0.779SS**SBendtrans-101.71.7-173-79.4-169.7164.5-166.9-3.2115.8
168Q51.5Low48.1Very low162 Ų162173.1 Ų173.176%0.75779%0.787SS**SBendtrans-101.7-3.8-175.5-69.8-82.7-18.400114.8
169H48.6Very low48.4Very low162 Ų162175.3 Ų175.375%0.7579%0.793SS**SBendtrans-116.610-170.7-77.2-70.8000116.9
170H47.6Very low48.4Very low184 Ų184175.5 Ų175.585%0.85280%0.8SS**  trans-130.739.4-178.5-74.748.4000112.7
171R46.7Very low48.3Very low223 Ų223174 Ų17484%0.84281%0.807SS**  trans-103.589162.8-83.4-177.8174.6161.7-2.6107.1
172H47.9Very low48.3Very low183 Ų183177.2 Ų177.285%0.84782%0.818SS**SBendtrans169.1136.2153.2-80.9-45.7000106.7
173H52.4Low48.6Very low180 Ų180178.5 Ų178.583%0.83382%0.824SS**  trans82.389.9-174-57.7-31.4000117.2
174N46.6Very low48.6Very low163 Ų163180.7 Ų180.787%0.87284%0.84SS**  176.469.1120.3-86.3-20.1000109.9
175N48.3Very low48.3Very low156 Ų156185.4 Ų185.483%0.83485%0.852SS**  trans-113.5103.4155.9-87.6-22.6000104.5
176H55.9Low48.1Very low184 Ų184186.1 Ų186.185%0.85286%0.855SS**  trans164.285.7161.2-96.963.7000106.6
177H51Low47.8Very low203 Ų203184 Ų18494%0.9486%0.855SS**  trans174.861.4153.4-97.844.4000108.1
178R42.4Very low47.8Very low236 Ų236184.4 Ų184.489%0.89186%0.862SS**  trans-13496.1169.5-173.6-179.6-179-170.70103.8
179H50.7Low46.9Very low179 Ų179185.9 Ų185.983%0.82987%0.869SS**  trans153.689.8165.2-9167000107.8
180N47.1Very low47Very low161 Ų161183 Ų18386%0.86187%0.865SS**  trans-178.741.7153.8-103.8-7.4000115.2
181N45.2Very low47Very low170 Ų170181.5 Ų181.591%0.90986%0.858SS**  trans-147.755.8170.4-97.8-36.1000112.5
182Q47.4Very low46.7Very low196 Ų196178.4 Ų178.492%0.91686%0.858SS**  trans-121.612.1174.3-84.9-169.97.200115
183Q53.5Low47Very low188 Ų188176.6 Ų176.688%0.87985%0.853SS**SBendtrans-13990177.6-72.2-179.710.600111.4
184L46.2Very low46.9Very low180 Ų180177 Ų17794%0.94285%0.852SS**  trans17561.9152.3-95.5149.2000108.4
185Q42.2Very low46.7Very low187 Ų187174.9 Ų174.987%0.87485%0.848SS**  trans-116.696.6159.1-82.1-178.634.200106.4
186Q43.5Very low46.4Very low188 Ų188172.4 Ų172.488%0.87984%0.841SS**  trans-172.7135.7154.2-104160.694.800108.3
187Q41.5Very low45.6Very low176 Ų176170 Ų17082%0.82284%0.835SS**  trans71.590.9179.7-63.5178.8-35.700116
188F47Very low45.2Very low212 Ų212167.4 Ų167.493%0.9383%0.827SS**  -170.1113.3124.6-83.9-64.4000106.9P190F188-P190 WeakPolarHBondContact O-CD 3.47Å
189Q34Very low45.6Very low192 Ų192164.4 Ų164.490%0.89783%0.827SS**  trans-90.8118.8173.4-67.5-138.839.600109.5
190P49.8Very low45.5Very low101 Ų101160.5 Ų160.566%0.65682%0.816SS**  trans-95.9104.8162.831.3-19.2000109.3F188 N192F188-P190 WeakPolarHBondContact O-CD 3.47Å; P190-N192 PolarHBondContact O-N 3.49Å
191H47.1Very low45.8Very low153 Ų153160.5 Ų160.571%0.70881%0.811SS**  trans0.3105.5143.844.7-82.4000116.6I193H191-I193 PolarHBondContact O-N 2.89Å
192N40.5Very low46.7Very low159 Ų159159.1 Ų159.185%0.8580%0.803SS**  trans30.875.4137.9-150.96.4000117.4P190P190-N192 PolarHBondContact O-N 3.49Å
193I54.3Low47.8Very low145 Ų145155.7 Ų155.774%0.74479%0.787SS**  trans-119117.1157-56.6173.8000106.4H191 P195H191-I193 PolarHBondContact O-N 2.89Å; I193-P195 VanDerWaalsContact O-CD 3.25Å; I193-P195 WeakPolarHBondContact O-CD 3.43Å
194K51.2Low49.2Very low187 Ų187151.5 Ų151.581%0.81378%0.777SS**  trans-45119.4-179.6-63.3179.1177.5-176.20111.6
195P42.1Very low51.1Low119 Ų119145.8 Ų145.877%0.77374%0.744SS**  trans-105.293.1164.730.1-14.8000108.5I193I193-P195 VanDerWaalsContact O-CD 3.25Å; I193-P195 WeakPolarHBondContact O-CD 3.43Å
196C41.9Very low53.2Low104 Ų104137.7 Ų137.770%0.70371%0.708SS**  trans170.2129.2173.9-105.20000105.7
197D39Very low55.4Low135 Ų135136.6 Ų136.672%0.72271%0.708SS**  cis-161.2164.234-71-58.1000109.7
198L42.4Very low57.8Low148 Ų148131.7 Ų131.778%0.77568%0.684SS**  trans91.162.8167.3-45.9166000117.2T200L198-T200 WeakPolarHBondContact CD2-OG1 3.09Å
199I51.1Low60Low173 Ų173124.7 Ų124.789%0.88766%0.661SS**  trans-95.874.4136.7-55.1173.6000104.8
200T48.9Very low63Low97 Ų97117.6 Ų117.660%0.59563%0.627SS**  trans-78.5121.8172.3-47.60000107.1L198L198-T200 WeakPolarHBondContact CD2-OG1 3.09Å
201E53.5Low65.2Low161 Ų161113.8 Ų113.875%0.75260%0.6SS**SBendtrans-16.6123.5161.4-56.3-65123.400114.6
202D63.4Low67.5Low141 Ų141106.5 Ų106.575%0.75457%0.567SS**  trans62.163.7162.6-59.4-35.8000119.5P204D202-P204 WeakPolarHBondContact O-CD 3.49Å; D202-P204 VanDerWaalsContact O-N 3.1Å
203E71.3Confident70.2Confident123 Ų12399 Ų9958%0.57553%0.527SS*.PPolyproline II helixtrans-52.6119156.5-90.8-69.1155.900109.5K205 Y241E203-K205 PolarHBondContact O-N 3.49Å; E203-Y241 WeakPolarHBondContact O-CD2 3.47Å
204P83.1Confident72.3Confident101 Ų10192.1 Ų92.166%0.65649%0.491SS*.PPolyproline II helixtrans-63.9142.3-170.424.9-33.8000110D202 P206D202-P204 WeakPolarHBondContact O-CD 3.49Å; D202-P204 VanDerWaalsContact O-N 3.1Å; P204-P206 WeakPolarHBondContact O-CD 3.36Å
205K85.5Confident74.5Confident59 Ų5983.2 Ų83.226%0.25745%0.453SS..PPolyproline II helixtrans-54.4128.7175-177.1-177.2165.5-163.30109.3M138 E203 N207 Y241M138-K205 WeakPolarHBondContact O-CD 3.46Å; M138-K205 PolarHBondContact O-NZ 3.42Å; M138-K205 HydrophobicContact SD-CD 4.41Å; M138-K205 PolarHBondContact SD-NZ 3.43Å; E203-K205 PolarHBondContact O-N 3.49Å; K205-N207 PolarHBondContact O-N 3.26Å; K205-Y241 HydrophobicContact CB-CD2 4.01Å; K205-Y241 HydrophobicContact CB-CE1 4.23Å; K205-Y241 HydrophobicContact CB-CE2 3.56Å; K205-Y241 HydrophobicContact CB-CG 4.49Å; K205-Y241 HydrophobicContact CD-CE1 4.3Å; K205-Y241 HydrophobicContact CG-CD1 4.28Å; K205-Y241 HydrophobicContact CG-CE1 3.77Å; K205-Y241 HydrophobicContact CG-CE2 4.02Å
206P86.8Confident77.2Confident18 Ų1880.7 Ų80.712%0.11743%0.429CS..PPolyproline II helixtrans-60.4137.6179.6-24.633.9000112.2P204 F208 Y239 F242P204-P206 WeakPolarHBondContact O-CD 3.36Å; P206-F208 HydrophobicContact CB-CD2 4.17Å; P206-F208 PolarHBondContact O-N 3.1Å; P206-Y239 HydrophobicContact CB-CD1 3.77Å; P206-Y239 HydrophobicContact CB-CE1 3.87Å; P206-Y239 HydrophobicContact CB-CG 4.29Å; P206-Y239 HydrophobicContact CG-CD1 3.22Å; P206-Y239 HydrophobicContact CG-CD2 4.37Å; P206-Y239 HydrophobicContact CG-CE1 3.87Å; P206-Y239 HydrophobicContact CG-CG 3.5Å; P206-F242 HydrophobicContact CG-CE2 4.08Å
207N88.8Confident79.8Confident165 Ų16575.7 Ų75.788%0.88240%0.396SS*.SBendtrans-74.442.9173.5-67.7-23.3000112.5K205K205-N207 PolarHBondContact O-N 3.26Å
208F91.4Very high82.6Confident73 Ų7369.3 Ų69.332%0.3236%0.362SS..  trans-123.1136.5176.3-67.8-70.9000110.1P206 L213 Y239 F292P206-F208 HydrophobicContact CB-CD2 4.17Å; P206-F208 PolarHBondContact O-N 3.1Å; F208-L213 HydrophobicContact CB-CD2 3.83Å; F208-L213 HydrophobicContact CB-CG 4.01Å; F208-Y239 HydrophobicContact CD2-CE1 4.45Å; F208-F292 HydrophobicContact CD1-CD2 4.41Å; F208-F292 HydrophobicContact CD1-CE2 4.43Å; F208-F292 HydrophobicContact CE1-CE2 4.27Å
209S94.4Very high85.2Confident65 Ų6563.6 Ų63.646%0.45533%0.332SS..  trans-65.5160.5166.669.10000110.1I211 G212 L213S209-I211 PolarHBondContact O-N 2.8Å; S209-G212 WeakPolarHBondContact O-CA 3.31Å; S209-G212 PolarHBondContact O-N 3.37Å; S209-G212 PolarHBondContact OG-N 3.45Å; S209-L213 PolarHBondContact O-N 2.87Å
210Y96.4Very high87.4Confident43 Ų4358.6 Ų58.617%0.16931%0.312CS..Hα-helixtrans-55.8-34.9173.4-70-61.1000112.6L213 I214 F242 W249 S252 I253Y210-L213 HydrophobicContact CD1-CD1 4.11Å; Y210-L213 PolarHBondContact O-N 3.06Å; Y210-I214 WeakPolarHBondContact O-CD1 3.33Å; Y210-I214 WeakPolarHBondContact O-CG1 3.32Å; Y210-I214 PolarHBondContact O-N 3.46Å; Y210-F242 HydrophobicContact CE1-CE1 4.26Å; Y210-W249 HydrophobicContact CE1-CB 4.41Å; Y210-S252 VanDerWaalsContact CE2-CB 3.47Å; Y210-I253 HydrophobicContact CD1-CD1 3.64Å; Y210-I253 HydrophobicContact CD1-CG1 4.38Å; Y210-I253 HydrophobicContact CE1-CD1 4.39Å; Y210-I253 HydrophobicContact CG-CD1 4.37Å
211I96.3Very high89.7Confident20 Ų2055.6 Ų55.610%0.10329%0.294CS..Hα-helixtrans-59.2-48.1172.9-58.8174.7000110.1S209 L213 I214 A215 F263 F287 R294S209-I211 PolarHBondContact O-N 2.8Å; I211-L213 PolarHBondContact O-N 3.42Å; I211-I214 PolarHBondContact O-N 2.98Å; I211-A215 VanDerWaalsContact O-CB 3.26Å; I211-A215 WeakPolarHBondContact O-CB 3.22Å; I211-A215 PolarHBondContact O-N 3.45Å; I211-F263 HydrophobicContact CB-CE2 4.47Å; I211-F263 HydrophobicContact CG2-CE2 4.08Å; I211-F263 HydrophobicContact CG2-CZ 3.93Å; I211-F287 HydrophobicContact CG2-CE2 4.41Å; I211-F287 HydrophobicContact CG2-CZ 3.85Å; I211-R294 HydrophobicContact CD1-CB 4.45Å
212G96.2Very high91.7Very high0 Ų056.8 Ų56.80%030%0.299CS..Hα-helixtrans-63.6-39.5177.800000113.2S209 A215 K216S209-G212 WeakPolarHBondContact O-CA 3.31Å; S209-G212 PolarHBondContact O-N 3.37Å; S209-G212 PolarHBondContact OG-N 3.45Å; G212-A215 PolarHBondContact O-N 2.85Å; G212-K216 WeakPolarHBondContact O-CB 3.48Å; G212-K216 WeakPolarHBondContact O-CG 3.39Å; G212-K216 PolarHBondContact O-N 2.86Å
213L97.1Very high93.3Very high2 Ų255.8 Ų55.81%0.0129%0.29CS..Hα-helixtrans-62.3-48.6176.4-66.6175.2000111.7F208 S209 Y210 I211 K216 A217 I235 Y239 F242F208-L213 HydrophobicContact CB-CD2 3.83Å; F208-L213 HydrophobicContact CB-CG 4.01Å; S209-L213 PolarHBondContact O-N 2.87Å; Y210-L213 HydrophobicContact CD1-CD1 4.11Å; Y210-L213 PolarHBondContact O-N 3.06Å; I211-L213 PolarHBondContact O-N 3.42Å; L213-K216 PolarHBondContact O-N 3.2Å; L213-A217 PolarHBondContact O-N 2.92Å; L213-I235 HydrophobicContact CB-CD1 4.09Å; L213-I235 HydrophobicContact CB-CG1 4.38Å; L213-Y239 HydrophobicContact CD2-CD2 3.68Å; L213-Y239 HydrophobicContact CD2-CE2 3.3Å; L213-F242 HydrophobicContact CD1-CE2 3.83Å; L213-F242 HydrophobicContact CD1-CZ 3.61Å
214I98Very high94.5Very high0 Ų054.9 Ų54.90%028%0.282CS..Hα-helixtrans-63.5-45.1178.1-65.1162.9000110.4Y210 I211 K216 A217 I218 I231 I253 N256 L257 F263Y210-I214 WeakPolarHBondContact O-CD1 3.33Å; Y210-I214 WeakPolarHBondContact O-CG1 3.32Å; Y210-I214 PolarHBondContact O-N 3.46Å; I211-I214 PolarHBondContact O-N 2.98Å; I214-K216 PolarHBondContact O-N 3.35Å; I214-A217 WeakPolarHBondContact O-CB 3.39Å; I214-A217 PolarHBondContact O-N 2.97Å; I214-I218 HydrophobicContact CG2-CD1 3.79Å; I214-I218 HydrophobicContact CG2-CG1 4.43Å; I214-I218 WeakPolarHBondContact O-CG1 3.36Å; I214-I218 PolarHBondContact O-N 2.88Å; I214-I231 HydrophobicContact CG1-CG2 4.31Å; I214-I231 HydrophobicContact CG2-CD1 4.41Å; I214-I253 HydrophobicContact CD1-CD1 4.04Å; I214-I253 HydrophobicContact CD1-CG2 4.19Å; I214-I253 HydrophobicContact CG1-CD1 3.85Å; I214-I253 HydrophobicContact CG1-CG2 4.27Å; I214-N256 HydrophobicContact CD1-CB 3.83Å; I214-L257 HydrophobicContact CD1-CD2 4.21Å; I214-L257 HydrophobicContact CD1-CG 4.12Å; I214-L257 HydrophobicContact CG2-CD2 3.67Å; I214-F263 HydrophobicContact CB-CE1 4.08Å; I214-F263 HydrophobicContact CB-CE2 4.17Å; I214-F263 HydrophobicContact CB-CZ 3.67Å; I214-F263 HydrophobicContact CD1-CE2 4.13Å; I214-F263 HydrophobicContact CD1-CZ 4.49Å; I214-F263 HydrophobicContact CG2-CD1 3.86Å; I214-F263 HydrophobicContact CG2-CD2 4.37Å; I214-F263 HydrophobicContact CG2-CE1 3.42Å; I214-F263 VanDerWaalsContact CG2-CE1 3.42Å; I214-F263 HydrophobicContact CG2-CE2 3.97Å; I214-F263 HydrophobicContact CG2-CG 4.32Å; I214-F263 HydrophobicContact CG2-CZ 3.48Å; I214-F263 VanDerWaalsContact CG2-CZ 3.48Å
215A97.4Very high95.1Very high0 Ų053.7 Ų53.70%026%0.264CS..Hα-helixtrans-58.9-47.2179.200000111.4I211 G212 A217 I218 L219 F287 F292I211-A215 VanDerWaalsContact O-CB 3.26Å; I211-A215 WeakPolarHBondContact O-CB 3.22Å; I211-A215 PolarHBondContact O-N 3.45Å; G212-A215 PolarHBondContact O-N 2.85Å; A215-A217 VanDerWaalsContact C-N 3.33Å; A215-A217 PolarHBondContact O-N 3.46Å; A215-I218 PolarHBondContact O-N 2.88Å; A215-L219 VanDerWaalsContact O-CB 3.31Å; A215-L219 WeakPolarHBondContact O-CB 3.44Å; A215-L219 WeakPolarHBondContact O-CG 3.35Å; A215-L219 PolarHBondContact O-N 3.23Å; A215-F287 HydrophobicContact CB-CD2 3.5Å; A215-F287 HydrophobicContact CB-CE2 3.8Å; A215-F287 HydrophobicContact CB-CG 4.19Å; A215-F292 HydrophobicContact CB-CD1 3.59Å; A215-F292 HydrophobicContact CB-CE1 3.71Å
216K97.3Very high95.7Very high66 Ų6651.6 Ų51.629%0.28726%0.255SS..Hα-helixtrans-62.1-39.3176.5-72.5-171.7172.6-156.50112.6G212 L213 I214 S220 W234 F292G212-K216 WeakPolarHBondContact O-CB 3.48Å; G212-K216 WeakPolarHBondContact O-CG 3.39Å; G212-K216 PolarHBondContact O-N 2.86Å; L213-K216 PolarHBondContact O-N 3.2Å; I214-K216 PolarHBondContact O-N 3.35Å; K216-S220 PolarHBondContact O-N 2.87Å; K216-S220 VanDerWaalsContact O-N 3.1Å; K216-W234 HydrophobicContact CB-CH2 3.45Å; K216-W234 VanDerWaalsContact CB-CH2 3.45Å; K216-W234 HydrophobicContact CB-CZ2 4.15Å; K216-W234 HydrophobicContact CB-CZ3 4.08Å; K216-F292 HydrophobicContact CG-CE1 4.5Å; K216-F292 HydrophobicContact CG-CE2 4.3Å; K216-F292 HydrophobicContact CG-CZ 3.84Å
217A98Very high96.2Very high0 Ų051.1 Ų51.10%025%0.251CS..Hα-helixtrans-59.3-53.4175.700000111L213 I214 A215 L219 S220 M226 W234L213-A217 PolarHBondContact O-N 2.92Å; I214-A217 WeakPolarHBondContact O-CB 3.39Å; I214-A217 PolarHBondContact O-N 2.97Å; A215-A217 VanDerWaalsContact C-N 3.33Å; A215-A217 PolarHBondContact O-N 3.46Å; A217-L219 PolarHBondContact O-N 3.08Å; A217-S220 WeakPolarHBondContact O-CB 3.43Å; A217-S220 PolarHBondContact O-N 3.15Å; A217-S220 PolarHBondContact O-OG 3.2Å; A217-M226 HydrophobicContact CB-CE 4.37Å; A217-M226 HydrophobicContact CB-SD 3.94Å; A217-M226 WeakPolarHBondContact O-CE 3.36Å; A217-W234 HydrophobicContact CB-CB 4.29Å; A217-W234 HydrophobicContact CB-CD2 3.57Å; A217-W234 HydrophobicContact CB-CE3 3.44Å; A217-W234 VanDerWaalsContact CB-CE3 3.44Å; A217-W234 HydrophobicContact CB-CG 3.93Å; A217-W234 HydrophobicContact CB-CZ3 4.01Å
218I98.1Very high96.7Very high0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-62.7-44.7-179.1-66.7173000111.4I214 A215 S220 T221 R224 M226 F263 W277 I279I214-I218 HydrophobicContact CG2-CD1 3.79Å; I214-I218 HydrophobicContact CG2-CG1 4.43Å; I214-I218 WeakPolarHBondContact O-CG1 3.36Å; I214-I218 PolarHBondContact O-N 2.88Å; A215-I218 PolarHBondContact O-N 2.88Å; I218-S220 PolarHBondContact O-N 3.26Å; I218-T221 PolarHBondContact O-N 3.49Å; I218-T221 PolarHBondContact O-OG1 2.86Å; I218-R224 VanDerWaalsContact CG2-C 3.45Å; I218-R224 WeakPolarHBondContact CG2-O 3.46Å; I218-M226 HydrophobicContact CG1-CB 4.2Å; I218-F263 HydrophobicContact CD1-CD1 3.99Å; I218-F263 HydrophobicContact CD1-CE1 4.21Å; I218-W277 HydrophobicContact CD1-CB 4.35Å; I218-I279 HydrophobicContact CB-CD1 4.17Å; I218-I279 HydrophobicContact CB-CG1 4.4Å; I218-I279 HydrophobicContact CD1-CG1 4.37Å; I218-I279 HydrophobicContact CG2-CD1 3.91Å; I218-I279 HydrophobicContact CG2-CG1 4.01Å
219L97.2Very high96.9Very high28 Ų2844.4 Ų44.415%0.14722%0.223CC..Hα-helixtrans-65.1-23.2179.8-71.6177.6000113.7A215 A217 T221 R224 I279 L284 F287 L288A215-L219 VanDerWaalsContact O-CB 3.31Å; A215-L219 WeakPolarHBondContact O-CB 3.44Å; A215-L219 WeakPolarHBondContact O-CG 3.35Å; A215-L219 PolarHBondContact O-N 3.23Å; A217-L219 PolarHBondContact O-N 3.08Å; L219-T221 PolarHBondContact O-N 2.83Å; L219-R224 PolarHBondContact O-NH1 3.06Å; L219-R224 VanDerWaalsContact O-NH1 3.13Å; L219-I279 HydrophobicContact CD1-CD1 4.44Å; L219-I279 HydrophobicContact CD2-CD1 3.67Å; L219-I279 HydrophobicContact CG-CD1 3.69Å; L219-L284 HydrophobicContact CD2-CD1 3.81Å; L219-F287 HydrophobicContact CD1-CB 4.14Å; L219-L288 HydrophobicContact CD1-CD2 4.42Å; L219-L288 HydrophobicContact CD2-CD2 3.7Å; L219-L288 HydrophobicContact CD2-CG 4.07Å
220S97.2Very high97.1Very high68 Ų6844.4 Ų44.448%0.47622%0.218SC..Hα-helixtrans-69.3-20.3176.9760000113.6K216 A217 I218 W234K216-S220 PolarHBondContact O-N 2.87Å; K216-S220 VanDerWaalsContact O-N 3.1Å; A217-S220 WeakPolarHBondContact O-CB 3.43Å; A217-S220 PolarHBondContact O-N 3.15Å; A217-S220 PolarHBondContact O-OG 3.2Å; I218-S220 PolarHBondContact O-N 3.26Å; S220-W234 PolarHBondContact OG-NE1 3.2Å
221T96.5Very high97.2Very high34 Ų3442.4 Ų42.421%0.20921%0.21CC..SBendtrans-87.1145.2177.9660000111.1I218 L219 E223 R224 R225 M226I218-T221 PolarHBondContact O-N 3.49Å; I218-T221 PolarHBondContact O-OG1 2.86Å; L219-T221 PolarHBondContact O-N 2.83Å; T221-E223 VanDerWaalsContact C-N 3.32Å; T221-E223 PolarHBondContact O-N 3.18Å; T221-R224 PolarHBondContact O-N 2.87Å; T221-R224 PolarHBondContact O-NH1 3.08Å; T221-R224 PolarHBondContact OG1-N 3.07Å; T221-R225 PolarHBondContact OG1-N 3.33Å; T221-R225 PolarHBondContact OG1-O 2.96Å; T221-M226 HydrophobicContact CG2-CE 3.35Å
222Q96.1Very high97.3Very high186 Ų18642.8 Ų42.887%0.86921%0.21SC*.THydrogen-bonded Turntrans-63.8-38.5176-173.6173.45.100112.1R224Q222-R224 PolarHBondContact O-N 2.92Å
223E95.7Very high97.3Very high120 Ų12048.5 Ų48.556%0.56124%0.237SC*.THydrogen-bonded Turntrans-76-3.1-179.6-57.4-169.515600114.1T221 R225T221-E223 VanDerWaalsContact C-N 3.32Å; T221-E223 PolarHBondContact O-N 3.18Å; E223-R225 HydrophobicContact CB-CG 3.86Å; E223-R225 PolarHBondContact O-N 3.26Å; E223-R225 VanDerWaalsContact O-N 3.16Å; E223-R225 IonicContact OE1-NH2 3.99Å; E223-R225 PolarHBondContact OE1-NH2 3.29Å; E223-R225 IonicContact OE2-CZ 2.82Å; E223-R225 IonicContact OE2-NE 3.21Å; E223-R225 PolarHBondContact OE2-NE 3.4Å; E223-R225 IonicContact OE2-NH2 3.45Å; E223-R225 PolarHBondContact OE2-NH2 3.24Å
224R96.2Very high97.4Very high105 Ų10550.6 Ų50.640%0.39625%0.245SC..SBendtrans53.833-177.2-54.1-61-174.2-118.4-0.3113.4I218 L219 T221 Q222I218-R224 VanDerWaalsContact CG2-C 3.45Å; I218-R224 WeakPolarHBondContact CG2-O 3.46Å; L219-R224 PolarHBondContact O-NH1 3.06Å; L219-R224 VanDerWaalsContact O-NH1 3.13Å; T221-R224 PolarHBondContact O-N 2.87Å; T221-R224 PolarHBondContact O-NH1 3.08Å; T221-R224 PolarHBondContact OG1-N 3.07Å; Q222-R224 PolarHBondContact O-N 2.92Å
225R96.9Very high97.3Very high75 Ų7550.6 Ų50.628%0.28325%0.245SC..EExtended strand (participates in β ladder)trans-148.3146.7177.669-174.8179.4-179-4.6110.8T221 E223 Y276 W277T221-R225 PolarHBondContact OG1-N 3.33Å; T221-R225 PolarHBondContact OG1-O 2.96Å; E223-R225 HydrophobicContact CB-CG 3.86Å; E223-R225 PolarHBondContact O-N 3.26Å; E223-R225 VanDerWaalsContact O-N 3.16Å; E223-R225 IonicContact OE1-NH2 3.99Å; E223-R225 PolarHBondContact OE1-NH2 3.29Å; E223-R225 IonicContact OE2-CZ 2.82Å; E223-R225 IonicContact OE2-NE 3.21Å; E223-R225 PolarHBondContact OE2-NE 3.4Å; E223-R225 IonicContact OE2-NH2 3.45Å; E223-R225 PolarHBondContact OE2-NH2 3.24Å; R225-Y276 HydrophobicContact CB-CD1 4.43Å; R225-Y276 HydrophobicContact CG-CD1 3.88Å; R225-Y276 HydrophobicContact CG-CG 4.1Å; R225-W277 CarbonylContact C-O 3.53Å; R225-W277 WeakPolarHBondContact CA-O 3.34Å
226M97.7Very high97.2Very high15 Ų1552.9 Ų52.97%0.07426%0.255CS..EExtended strand (participates in β ladder)trans-147.5144.5-178.5-170.7177-76.300110.4A217 I218 T221 D230 I231 W234 W277A217-M226 HydrophobicContact CB-CE 4.37Å; A217-M226 HydrophobicContact CB-SD 3.94Å; A217-M226 WeakPolarHBondContact O-CE 3.36Å; I218-M226 HydrophobicContact CG1-CB 4.2Å; T221-M226 HydrophobicContact CG2-CE 3.35Å; M226-D230 HydrophobicContact CG-CB 3.56Å; M226-D230 VanDerWaalsContact SD-C 3.54Å; M226-D230 HydrophobicContact SD-CB 3.95Å; M226-I231 HydrophobicContact CB-CG1 4.1Å; M226-I231 HydrophobicContact CG-CG1 3.84Å; M226-I231 HydrophobicContact SD-CB 4.33Å; M226-I231 HydrophobicContact SD-CG1 3.69Å; M226-I231 PolarHBondContact SD-N 3.19Å; M226-I231 VanDerWaalsContact SD-N 3.45Å; M226-W234 HydrophobicContact CE-CB 4.5Å; M226-W234 HydrophobicContact CE-CG 4.41Å; M226-W234 HydrophobicContact SD-CB 4.24Å; M226-W277 PolarHBondContact N-O 2.98Å; M226-W277 WeakPolarHBondContact O-CB 3.39Å; M226-W277 PolarHBondContact O-N 3.33Å
227I97.7Very high97.1Very high8 Ų856.9 Ų56.94%0.04128%0.279CS..EExtended strand (participates in β ladder)trans-80.7157.217562.7173.9000111S229 D230 I231 A269 N271 Y276I227-S229 VanDerWaalsContact C-N 3.3Å; I227-S229 WeakPolarHBondContact CD1-OG 3.31Å; I227-S229 WeakPolarHBondContact CG1-OG 3.26Å; I227-S229 PolarHBondContact O-N 3.03Å; I227-D230 WeakPolarHBondContact CD1-OD1 3.49Å; I227-D230 HydrophobicContact CG1-CB 3.84Å; I227-D230 WeakPolarHBondContact CG1-OD1 3.3Å; I227-D230 WeakPolarHBondContact CG1-OD2 3.41Å; I227-D230 PolarHBondContact O-N 3.34Å; I227-I231 WeakPolarHBondContact O-CG1 3.49Å; I227-I231 PolarHBondContact O-N 3.42Å; I227-A269 HydrophobicContact CG2-CB 3.6Å; I227-N271 WeakPolarHBondContact CD1-ND2 3.14Å; I227-Y276 HydrophobicContact CG2-CD1 3.56Å; I227-Y276 HydrophobicContact CG2-CE1 3.63Å; I227-Y276 HydrophobicContact CG2-CG 4.25Å
228L98.1Very high97Very high48 Ų4865 Ų6525%0.25131%0.31SS..Hα-helixtrans-56.2-40.8-175.7177.762.8000113.7D230 I231 Y232 I253 R254 L257L228-D230 VanDerWaalsContact C-N 3.25Å; L228-D230 PolarHBondContact O-N 2.94Å; L228-I231 PolarHBondContact O-N 2.99Å; L228-Y232 HydrophobicContact CD1-CD1 4.45Å; L228-Y232 HydrophobicContact CD1-CE1 3.65Å; L228-Y232 HydrophobicContact CD1-CE2 4.26Å; L228-Y232 HydrophobicContact CD2-CE2 4.37Å; L228-Y232 HydrophobicContact CG-CE1 4.19Å; L228-Y232 HydrophobicContact CG-CE2 3.88Å; L228-Y232 PolarHBondContact O-N 2.93Å; L228-I253 HydrophobicContact CD1-CG2 4.12Å; L228-R254 HydrophobicContact CD1-CG 4.03Å; L228-R254 HydrophobicContact CD2-CG 3.79Å; L228-L257 HydrophobicContact CD1-CD1 3.57Å
229S97.5Very high96.8Very high50 Ų5066.6 Ų66.635%0.3532%0.316SS..Hα-helixtrans-61.3-37.6177.951.50000112.2I227 Y232 Q233I227-S229 VanDerWaalsContact C-N 3.3Å; I227-S229 WeakPolarHBondContact CD1-OG 3.31Å; I227-S229 WeakPolarHBondContact CG1-OG 3.26Å; I227-S229 PolarHBondContact O-N 3.03Å; S229-Y232 WeakPolarHBondContact O-CB 3.36Å; S229-Y232 PolarHBondContact O-N 3.48Å; S229-Q233 WeakPolarHBondContact O-CG 3.4Å; S229-Q233 PolarHBondContact O-N 3Å
230D97.7Very high96.6Very high65 Ų6568.7 Ų68.735%0.34833%0.331SS..Hα-helixtrans-78.4-32.5-175.5-62.54.6000110M226 I227 L228 Y232 Q233 W234M226-D230 HydrophobicContact CG-CB 3.56Å; M226-D230 VanDerWaalsContact SD-C 3.54Å; M226-D230 HydrophobicContact SD-CB 3.95Å; I227-D230 WeakPolarHBondContact CD1-OD1 3.49Å; I227-D230 HydrophobicContact CG1-CB 3.84Å; I227-D230 WeakPolarHBondContact CG1-OD1 3.3Å; I227-D230 WeakPolarHBondContact CG1-OD2 3.41Å; I227-D230 PolarHBondContact O-N 3.34Å; L228-D230 VanDerWaalsContact C-N 3.25Å; L228-D230 PolarHBondContact O-N 2.94Å; D230-Y232 VanDerWaalsContact C-N 3.26Å; D230-Y232 PolarHBondContact O-N 3.19Å; D230-Q233 PolarHBondContact O-N 3.37Å; D230-W234 VanDerWaalsContact O-CB 3.22Å; D230-W234 WeakPolarHBondContact O-CB 3.29Å; D230-W234 PolarHBondContact O-N 3Å
231I98.2Very high96.5Very high0 Ų066.3 Ų66.30%031%0.312CS..Hα-helixtrans-58.5-41.4169.5-63.8170000110.1I214 M226 I227 L228 I235 I253 L257 W277I214-I231 HydrophobicContact CG1-CG2 4.31Å; I214-I231 HydrophobicContact CG2-CD1 4.41Å; M226-I231 HydrophobicContact CB-CG1 4.1Å; M226-I231 HydrophobicContact CG-CG1 3.84Å; M226-I231 HydrophobicContact SD-CB 4.33Å; M226-I231 HydrophobicContact SD-CG1 3.69Å; M226-I231 PolarHBondContact SD-N 3.19Å; M226-I231 VanDerWaalsContact SD-N 3.45Å; I227-I231 WeakPolarHBondContact O-CG1 3.49Å; I227-I231 PolarHBondContact O-N 3.42Å; L228-I231 PolarHBondContact O-N 2.99Å; I231-I235 HydrophobicContact CG2-CD1 3.87Å; I231-I235 VanDerWaalsContact O-CG1 3.25Å; I231-I235 WeakPolarHBondContact O-CG1 3.36Å; I231-I235 PolarHBondContact O-N 3.34Å; I231-I235 VanDerWaalsContact O-N 3.1Å; I231-I253 HydrophobicContact CG2-CG2 4.03Å; I231-L257 HydrophobicContact CD1-CD1 4.21Å; I231-L257 HydrophobicContact CD1-CD2 4.29Å; I231-W277 HydrophobicContact CD1-CB 4.39Å
232Y97.8Very high96.4Very high29 Ų2965 Ų6511%0.11430%0.303CS..Hα-helixtrans-62.6-48.8176.5-59.6-29.4000112.1L228 S229 D230 I235 Q236 W249 R250 I253 R254L228-Y232 HydrophobicContact CD1-CD1 4.45Å; L228-Y232 HydrophobicContact CD1-CE1 3.65Å; L228-Y232 HydrophobicContact CD1-CE2 4.26Å; L228-Y232 HydrophobicContact CD2-CE2 4.37Å; L228-Y232 HydrophobicContact CG-CE1 4.19Å; L228-Y232 HydrophobicContact CG-CE2 3.88Å; L228-Y232 PolarHBondContact O-N 2.93Å; S229-Y232 WeakPolarHBondContact O-CB 3.36Å; S229-Y232 PolarHBondContact O-N 3.48Å; D230-Y232 VanDerWaalsContact C-N 3.26Å; D230-Y232 PolarHBondContact O-N 3.19Å; Y232-I235 PolarHBondContact O-N 3.43Å; Y232-Q236 WeakPolarHBondContact O-CG 3.25Å; Y232-Q236 PolarHBondContact O-N 2.99Å; Y232-Q236 VanDerWaalsContact O-N 3.08Å; Y232-W249 HydrophobicContact CD1-CH2 4.05Å; Y232-W249 AromaticContact CD1-CZ3 3.81Å; Y232-W249 HydrophobicContact CD1-CZ3 3.81Å; Y232-W249 HydrophobicContact CG-CH2 4.29Å; Y232-W249 HydrophobicContact CG-CZ3 4.49Å; Y232-R250 HydrophobicContact CD1-CB 4.37Å; Y232-R250 HydrophobicContact CD1-CG 4.1Å; Y232-R250 HydrophobicContact CE1-CB 3.79Å; Y232-R250 HydrophobicContact CE1-CG 4.03Å; Y232-R250 HydrophobicContact CE2-CB 4.46Å; Y232-R250 HydrophobicContact CG-CG 4.37Å; Y232-R250 PolarHBondContact OH-O 3.34Å; Y232-I253 HydrophobicContact CD1-CG2 4.33Å; Y232-I253 HydrophobicContact CE1-CB 4.03Å; Y232-I253 HydrophobicContact CE1-CG2 3.83Å; Y232-R254 WeakPolarHBondContact OH-CD 3.39Å; Y232-R254 WeakPolarHBondContact OH-CG 3.21Å; Y232-R254 PolarHBondContact OH-NH1 3.04Å
233Q97.3Very high96.2Very high120 Ų12059.4 Ų59.456%0.56129%0.285SS*.Hα-helixtrans-64.3-43.8-179.1-67.8173.343.900111.4S229 D230 I235 Q236 L237S229-Q233 WeakPolarHBondContact O-CG 3.4Å; S229-Q233 PolarHBondContact O-N 3Å; D230-Q233 PolarHBondContact O-N 3.37Å; Q233-I235 VanDerWaalsContact C-N 3.35Å; Q233-I235 PolarHBondContact O-N 3.48Å; Q233-Q236 PolarHBondContact O-N 3.02Å; Q233-L237 VanDerWaalsContact O-CB 3.32Å; Q233-L237 WeakPolarHBondContact O-CB 3.24Å; Q233-L237 PolarHBondContact O-N 2.91Å
234W98Very high95.9Very high45 Ų4559.5 Ų59.517%0.1729%0.293CS..Hα-helixtrans-59.6-44.7178.5-17397.4000111.8K216 A217 S220 M226 D230 L237 R238 Y239K216-W234 HydrophobicContact CB-CH2 3.45Å; K216-W234 VanDerWaalsContact CB-CH2 3.45Å; K216-W234 HydrophobicContact CB-CZ2 4.15Å; K216-W234 HydrophobicContact CB-CZ3 4.08Å; A217-W234 HydrophobicContact CB-CB 4.29Å; A217-W234 HydrophobicContact CB-CD2 3.57Å; A217-W234 HydrophobicContact CB-CE3 3.44Å; A217-W234 VanDerWaalsContact CB-CE3 3.44Å; A217-W234 HydrophobicContact CB-CG 3.93Å; A217-W234 HydrophobicContact CB-CZ3 4.01Å; S220-W234 PolarHBondContact OG-NE1 3.2Å; M226-W234 HydrophobicContact CE-CB 4.5Å; M226-W234 HydrophobicContact CE-CG 4.41Å; M226-W234 HydrophobicContact SD-CB 4.24Å; D230-W234 VanDerWaalsContact O-CB 3.22Å; D230-W234 WeakPolarHBondContact O-CB 3.29Å; D230-W234 PolarHBondContact O-N 3Å; W234-L237 PolarHBondContact O-N 3.28Å; W234-R238 HydrophobicContact CH2-CB 4.45Å; W234-R238 HydrophobicContact CH2-CG 4.15Å; W234-R238 HydrophobicContact CZ2-CG 4.41Å; W234-R238 HydrophobicContact CZ3-CB 4.4Å; W234-R238 WeakPolarHBondContact O-CB 3.35Å; W234-R238 PolarHBondContact O-N 3.3Å; W234-Y239 HydrophobicContact CH2-CE2 4.33Å; W234-Y239 AromaticContact CZ3-CE2 3.97Å; W234-Y239 HydrophobicContact CZ3-CE2 3.97Å
235I97.3Very high95.6Very high0 Ų060.8 Ų60.80%030%0.298CS..Hα-helixtrans-64.4-45.6177.7-69.3171.7000110.8L213 I231 Y232 Q233 L237 R238 Y239 F242 W249 I253L213-I235 HydrophobicContact CB-CD1 4.09Å; L213-I235 HydrophobicContact CB-CG1 4.38Å; I231-I235 HydrophobicContact CG2-CD1 3.87Å; I231-I235 VanDerWaalsContact O-CG1 3.25Å; I231-I235 WeakPolarHBondContact O-CG1 3.36Å; I231-I235 PolarHBondContact O-N 3.34Å; I231-I235 VanDerWaalsContact O-N 3.1Å; Y232-I235 PolarHBondContact O-N 3.43Å; Q233-I235 VanDerWaalsContact C-N 3.35Å; Q233-I235 PolarHBondContact O-N 3.48Å; I235-L237 VanDerWaalsContact C-N 3.35Å; I235-L237 PolarHBondContact O-N 3.02Å; I235-R238 PolarHBondContact O-N 3.1Å; I235-Y239 WeakPolarHBondContact O-CA 3.48Å; I235-Y239 WeakPolarHBondContact O-CB 3.45Å; I235-Y239 PolarHBondContact O-N 2.97Å; I235-F242 HydrophobicContact CG2-CB 4.16Å; I235-F242 HydrophobicContact CG2-CD2 3.37Å; I235-F242 HydrophobicContact CG2-CE2 3.84Å; I235-F242 HydrophobicContact CG2-CG 3.8Å; I235-W249 HydrophobicContact CB-CZ3 4.46Å; I235-W249 HydrophobicContact CD1-CZ3 4.38Å; I235-W249 HydrophobicContact CG2-CZ3 4.29Å; I235-I253 HydrophobicContact CD1-CD1 3.59Å; I235-I253 HydrophobicContact CD1-CG1 4.2Å
236Q95.4Very high95.3Very high49 Ų4959 Ų5923%0.22930%0.304CS..Hα-helixtrans-64.7-38.5-179.8-72.1-180-53.500112.4Y232 Q233 W249Y232-Q236 WeakPolarHBondContact O-CG 3.25Å; Y232-Q236 PolarHBondContact O-N 2.99Å; Y232-Q236 VanDerWaalsContact O-N 3.08Å; Q233-Q236 PolarHBondContact O-N 3.02Å; Q236-W249 HydrophobicContact CG-CH2 3.88Å; Q236-W249 HydrophobicContact CG-CZ2 3.69Å
237L95.6Very high95Very high149 Ų14960.5 Ų60.578%0.7831%0.314SS*.Hα-helixtrans-68.6-41.1178.3-178.365.2000112.1Q233 W234 I235Q233-L237 VanDerWaalsContact O-CB 3.32Å; Q233-L237 WeakPolarHBondContact O-CB 3.24Å; Q233-L237 PolarHBondContact O-N 2.91Å; W234-L237 PolarHBondContact O-N 3.28Å; I235-L237 VanDerWaalsContact C-N 3.35Å; I235-L237 PolarHBondContact O-N 3.02Å
238R95.1Very high94.9Very high172 Ų17262.1 Ų62.165%0.64933%0.333SS*.Hα-helixtrans-81.9-31.1-176.7-164.678.4179.7-177.22.8112.9W234 I235W234-R238 HydrophobicContact CH2-CB 4.45Å; W234-R238 HydrophobicContact CH2-CG 4.15Å; W234-R238 HydrophobicContact CZ2-CG 4.41Å; W234-R238 HydrophobicContact CZ3-CB 4.4Å; W234-R238 WeakPolarHBondContact O-CB 3.35Å; W234-R238 PolarHBondContact O-N 3.3Å; I235-R238 PolarHBondContact O-N 3.1Å
239Y94.6Very high94.8Very high33 Ų3360.3 Ų60.313%0.12932%0.323CS..  trans-13385.4-175-54.8-69.2000109.3P206 F208 L213 W234 I235 Y241 F242P206-Y239 HydrophobicContact CB-CD1 3.77Å; P206-Y239 HydrophobicContact CB-CE1 3.87Å; P206-Y239 HydrophobicContact CB-CG 4.29Å; P206-Y239 HydrophobicContact CG-CD1 3.22Å; P206-Y239 HydrophobicContact CG-CD2 4.37Å; P206-Y239 HydrophobicContact CG-CE1 3.87Å; P206-Y239 HydrophobicContact CG-CG 3.5Å; F208-Y239 HydrophobicContact CD2-CE1 4.45Å; L213-Y239 HydrophobicContact CD2-CD2 3.68Å; L213-Y239 HydrophobicContact CD2-CE2 3.3Å; W234-Y239 HydrophobicContact CH2-CE2 4.33Å; W234-Y239 AromaticContact CZ3-CE2 3.97Å; W234-Y239 HydrophobicContact CZ3-CE2 3.97Å; I235-Y239 WeakPolarHBondContact O-CA 3.48Å; I235-Y239 WeakPolarHBondContact O-CB 3.45Å; I235-Y239 PolarHBondContact O-N 2.97Å; Y239-Y241 PolarHBondContact O-N 3.19Å; Y239-F242 PolarHBondContact O-N 3.13Å
240P92.6Very high94.8Very high71 Ų7162 Ų6246%0.46132%0.322SS..THydrogen-bonded Turntrans-53.7-25-177.5-28.836.6000114.2F242 S243P240-F242 PolarHBondContact O-N 3.21Å; P240-S243 VanDerWaalsContact O-CB 3.29Å; P240-S243 WeakPolarHBondContact O-CB 3.41Å; P240-S243 PolarHBondContact O-N 3.48Å
241Y93.7Very high94.8Very high19 Ų1963.4 Ų63.48%0.07533%0.329CS..Hα-helixtrans-41.2-40.6168.8172.7-91.3000114.1E203 K205 Y239 S243 R245E203-Y241 WeakPolarHBondContact O-CD2 3.47Å; K205-Y241 HydrophobicContact CB-CD2 4.01Å; K205-Y241 HydrophobicContact CB-CE1 4.23Å; K205-Y241 HydrophobicContact CB-CE2 3.56Å; K205-Y241 HydrophobicContact CB-CG 4.49Å; K205-Y241 HydrophobicContact CD-CE1 4.3Å; K205-Y241 HydrophobicContact CG-CD1 4.28Å; K205-Y241 HydrophobicContact CG-CE1 3.77Å; K205-Y241 HydrophobicContact CG-CE2 4.02Å; Y239-Y241 PolarHBondContact O-N 3.19Å; Y241-S243 VanDerWaalsContact C-N 3.31Å; Y241-S243 PolarHBondContact O-N 3.36Å; Y241-R245 HydrophobicContact CD1-CG 4.41Å; Y241-R245 HydrophobicContact CE1-CG 3.98Å; Y241-R245 VanDerWaalsContact O-CG 3.24Å; Y241-R245 WeakPolarHBondContact O-CG 3.22Å; Y241-R245 PolarHBondContact OH-NE 3.2Å; Y241-R245 PolarHBondContact OH-NH1 2.76Å; Y241-R245 PolarHBondContact OH-NH2 3.02Å
242F94.5Very high94.8Very high7 Ų764.5 Ų64.53%0.03134%0.336CS..Hα-helixtrans-79.7-10-176.8-67.6-76.9000114.3P206 Y210 L213 I235 Y239 P240 W249P206-F242 HydrophobicContact CG-CE2 4.08Å; Y210-F242 HydrophobicContact CE1-CE1 4.26Å; L213-F242 HydrophobicContact CD1-CE2 3.83Å; L213-F242 HydrophobicContact CD1-CZ 3.61Å; I235-F242 HydrophobicContact CG2-CB 4.16Å; I235-F242 HydrophobicContact CG2-CD2 3.37Å; I235-F242 HydrophobicContact CG2-CE2 3.84Å; I235-F242 HydrophobicContact CG2-CG 3.8Å; Y239-F242 PolarHBondContact O-N 3.13Å; P240-F242 PolarHBondContact O-N 3.21Å; F242-W249 HydrophobicContact CB-CD2 4.34Å; F242-W249 HydrophobicContact CB-CZ2 4.31Å; F242-W249 HydrophobicContact CD1-CB 4.06Å; F242-W249 HydrophobicContact CD1-CD2 4.05Å; F242-W249 HydrophobicContact CD1-CE3 4.46Å; F242-W249 AromaticContact CD1-CG 3.85Å; F242-W249 HydrophobicContact CD1-CG 3.85Å; F242-W249 HydrophobicContact CE1-CB 4.37Å; F242-W249 PolarHBondContact O-NE1 3.46Å
243S92.4Very high94.8Very high68 Ų6863.1 Ų63.148%0.47633%0.331SS..Hα-helixtrans-72.4-32.2-179.9-63.30000112.4P240 Y241P240-S243 VanDerWaalsContact O-CB 3.29Å; P240-S243 WeakPolarHBondContact O-CB 3.41Å; P240-S243 PolarHBondContact O-N 3.48Å; Y241-S243 VanDerWaalsContact C-N 3.31Å; Y241-S243 PolarHBondContact O-N 3.36Å
244T90.1Very high94.9Very high121 Ų12162.6 Ų62.674%0.74232%0.324SS*.Hα-helixtrans-94.5-12.7-177.358.70000114.2G246T244-G246 VanDerWaalsContact C-N 3.29Å; T244-G246 PolarHBondContact O-N 3.47Å
245R89Confident94.8Very high132 Ų13263 Ų6350%0.49833%0.327SS..SBendtrans-8311.5-171.4-65.8-69.4-175.5135.5-8.1115.8Y241Y241-R245 HydrophobicContact CD1-CG 4.41Å; Y241-R245 HydrophobicContact CE1-CG 3.98Å; Y241-R245 VanDerWaalsContact O-CG 3.24Å; Y241-R245 WeakPolarHBondContact O-CG 3.22Å; Y241-R245 PolarHBondContact OH-NE 3.2Å; Y241-R245 PolarHBondContact OH-NH1 2.76Å; Y241-R245 PolarHBondContact OH-NH2 3.02Å
246G90.3Very high94.8Very high39 Ų3964 Ų6440%0.40233%0.333SS..  trans65-171.5-175.900000113.4T244 G248 W249T244-G246 VanDerWaalsContact C-N 3.29Å; T244-G246 PolarHBondContact O-N 3.47Å; G246-G248 PolarHBondContact O-N 3.12Å; G246-W249 PolarHBondContact O-NE1 2.84Å
247P93Very high94.9Very high45 Ų4561.9 Ų61.929%0.29232%0.323SS..SBendtrans-86-0.6-172.435.6-38.5000114.4W43 W249 R250W43-P247 HydrophobicContact CD2-CG 4.3Å; W43-P247 HydrophobicContact CH2-CG 3.52Å; W43-P247 HydrophobicContact CZ2-CG 3.13Å; W43-P247 HydrophobicContact CZ3-CG 4.21Å; P247-W249 VanDerWaalsContact C-N 3.32Å; P247-W249 PolarHBondContact O-N 3.29Å; P247-R250 VanDerWaalsContact O-CB 3.27Å; P247-R250 WeakPolarHBondContact O-CB 3.39Å; P247-R250 PolarHBondContact O-N 2.93Å
248G95.2Very high95Very high42 Ų4259 Ų5943%0.43332%0.316SS..Hα-helixtrans-58.2-40.6-175.100000113.5G246 R250 N251 S252G246-G248 PolarHBondContact O-N 3.12Å; G248-R250 PolarHBondContact O-N 3.48Å; G248-N251 VanDerWaalsContact O-CB 3.31Å; G248-N251 WeakPolarHBondContact O-CB 3.43Å; G248-N251 PolarHBondContact O-N 3.36Å; G248-N251 VanDerWaalsContact O-N 3.1Å; G248-S252 PolarHBondContact O-N 2.95Å
249W96.3Very high95Very high11 Ų1154.6 Ų54.64%0.04231%0.305CS..Hα-helixtrans-63.2-29.4176.765.9-96.3000112.7Y210 Y232 I235 Q236 F242 G246 P247 N251 S252 I253Y210-W249 HydrophobicContact CE1-CB 4.41Å; Y232-W249 HydrophobicContact CD1-CH2 4.05Å; Y232-W249 AromaticContact CD1-CZ3 3.81Å; Y232-W249 HydrophobicContact CD1-CZ3 3.81Å; Y232-W249 HydrophobicContact CG-CH2 4.29Å; Y232-W249 HydrophobicContact CG-CZ3 4.49Å; I235-W249 HydrophobicContact CB-CZ3 4.46Å; I235-W249 HydrophobicContact CD1-CZ3 4.38Å; I235-W249 HydrophobicContact CG2-CZ3 4.29Å; Q236-W249 HydrophobicContact CG-CH2 3.88Å; Q236-W249 HydrophobicContact CG-CZ2 3.69Å; F242-W249 HydrophobicContact CB-CD2 4.34Å; F242-W249 HydrophobicContact CB-CZ2 4.31Å; F242-W249 HydrophobicContact CD1-CB 4.06Å; F242-W249 HydrophobicContact CD1-CD2 4.05Å; F242-W249 HydrophobicContact CD1-CE3 4.46Å; F242-W249 AromaticContact CD1-CG 3.85Å; F242-W249 HydrophobicContact CD1-CG 3.85Å; F242-W249 HydrophobicContact CE1-CB 4.37Å; F242-W249 PolarHBondContact O-NE1 3.46Å; G246-W249 PolarHBondContact O-NE1 2.84Å; P247-W249 VanDerWaalsContact C-N 3.32Å; P247-W249 PolarHBondContact O-N 3.29Å; W249-N251 PolarHBondContact O-N 3.49Å; W249-S252 WeakPolarHBondContact O-CB 3.46Å; W249-S252 PolarHBondContact O-N 3.01Å; W249-S252 VanDerWaalsContact O-N 3.1Å; W249-I253 HydrophobicContact CE3-CG1 3.85Å; W249-I253 HydrophobicContact CZ3-CG1 4.1Å; W249-I253 WeakPolarHBondContact O-CG1 3.45Å; W249-I253 PolarHBondContact O-N 3.24Å
250R97.6Very high95Very high86 Ų8653.4 Ų53.433%0.32530%0.301SS..Hα-helixtrans-63.7-31.2176.8-60.7-179.4179.3171.1-2.5111.4Y232 P247 G248 I253 R254Y232-R250 HydrophobicContact CD1-CB 4.37Å; Y232-R250 HydrophobicContact CD1-CG 4.1Å; Y232-R250 HydrophobicContact CE1-CB 3.79Å; Y232-R250 HydrophobicContact CE1-CG 4.03Å; Y232-R250 HydrophobicContact CE2-CB 4.46Å; Y232-R250 HydrophobicContact CG-CG 4.37Å; Y232-R250 PolarHBondContact OH-O 3.34Å; P247-R250 VanDerWaalsContact O-CB 3.27Å; P247-R250 WeakPolarHBondContact O-CB 3.39Å; P247-R250 PolarHBondContact O-N 2.93Å; G248-R250 PolarHBondContact O-N 3.48Å; R250-I253 PolarHBondContact O-N 3.43Å; R250-R254 WeakPolarHBondContact O-CG 3.27Å; R250-R254 PolarHBondContact O-N 2.64Å; R250-R254 VanDerWaalsContact O-N 3.13Å
251N97.6Very high95Very high94 Ų9456.8 Ų56.850%0.50332%0.315SS..Hα-helixtrans-67.9-44.7173.3-168.339.1000111.2G248 W249 I253 R254 H255G248-N251 VanDerWaalsContact O-CB 3.31Å; G248-N251 WeakPolarHBondContact O-CB 3.43Å; G248-N251 PolarHBondContact O-N 3.36Å; G248-N251 VanDerWaalsContact O-N 3.1Å; W249-N251 PolarHBondContact O-N 3.49Å; N251-I253 VanDerWaalsContact C-N 3.25Å; N251-I253 PolarHBondContact O-N 2.85Å; N251-R254 PolarHBondContact O-N 3.14Å; N251-R254 PolarHBondContact OD1-NH2 3.47Å; N251-R254 VanDerWaalsContact OD1-NH2 3.11Å; N251-H255 WeakPolarHBondContact O-CB 3.14Å; N251-H255 PolarHBondContact O-N 3.32Å
252S97.2Very high95.1Very high22 Ų2256.5 Ų56.515%0.15432%0.315CS..Hα-helixtrans-58.9-37.7174.6-54.50000111.9Y210 G248 W249 N256Y210-S252 VanDerWaalsContact CE2-CB 3.47Å; G248-S252 PolarHBondContact O-N 2.95Å; W249-S252 WeakPolarHBondContact O-CB 3.46Å; W249-S252 PolarHBondContact O-N 3.01Å; W249-S252 VanDerWaalsContact O-N 3.1Å; S252-N256 WeakPolarHBondContact O-CB 3.24Å; S252-N256 PolarHBondContact O-N 3.24Å; S252-N256 PolarHBondContact O-ND2 3.42Å
253I98Very high95.2Very high0 Ų056.6 Ų56.60%032%0.316CS..Hα-helixtrans-62.7-51.9173.8-65.4-64.3000111.6Y210 I214 L228 I231 Y232 I235 W249 R250 N251 H255 N256 L257Y210-I253 HydrophobicContact CD1-CD1 3.64Å; Y210-I253 HydrophobicContact CD1-CG1 4.38Å; Y210-I253 HydrophobicContact CE1-CD1 4.39Å; Y210-I253 HydrophobicContact CG-CD1 4.37Å; I214-I253 HydrophobicContact CD1-CD1 4.04Å; I214-I253 HydrophobicContact CD1-CG2 4.19Å; I214-I253 HydrophobicContact CG1-CD1 3.85Å; I214-I253 HydrophobicContact CG1-CG2 4.27Å; L228-I253 HydrophobicContact CD1-CG2 4.12Å; I231-I253 HydrophobicContact CG2-CG2 4.03Å; Y232-I253 HydrophobicContact CD1-CG2 4.33Å; Y232-I253 HydrophobicContact CE1-CB 4.03Å; Y232-I253 HydrophobicContact CE1-CG2 3.83Å; I235-I253 HydrophobicContact CD1-CD1 3.59Å; I235-I253 HydrophobicContact CD1-CG1 4.2Å; W249-I253 HydrophobicContact CE3-CG1 3.85Å; W249-I253 HydrophobicContact CZ3-CG1 4.1Å; W249-I253 WeakPolarHBondContact O-CG1 3.45Å; W249-I253 PolarHBondContact O-N 3.24Å; R250-I253 PolarHBondContact O-N 3.43Å; N251-I253 VanDerWaalsContact C-N 3.25Å; N251-I253 PolarHBondContact O-N 2.85Å; I253-H255 VanDerWaalsContact C-N 3.29Å; I253-H255 PolarHBondContact O-N 2.93Å; I253-N256 PolarHBondContact O-N 2.92Å; I253-N256 VanDerWaalsContact O-N 3.12Å; I253-L257 HydrophobicContact CG2-CD1 4.15Å; I253-L257 WeakPolarHBondContact O-CG 3.43Å; I253-L257 PolarHBondContact O-N 2.74Å
254R98.5Very high95.5Very high110 Ų11055.8 Ų55.842%0.41531%0.306SS..Hα-helixtrans-58.5-44179.1-68.4-171.6-55.6-93.41.8111.8L228 Y232 R250 N251 N256 L257 S258L228-R254 HydrophobicContact CD1-CG 4.03Å; L228-R254 HydrophobicContact CD2-CG 3.79Å; Y232-R254 WeakPolarHBondContact OH-CD 3.39Å; Y232-R254 WeakPolarHBondContact OH-CG 3.21Å; Y232-R254 PolarHBondContact OH-NH1 3.04Å; R250-R254 WeakPolarHBondContact O-CG 3.27Å; R250-R254 PolarHBondContact O-N 2.64Å; R250-R254 VanDerWaalsContact O-N 3.13Å; N251-R254 PolarHBondContact O-N 3.14Å; N251-R254 PolarHBondContact OD1-NH2 3.47Å; N251-R254 VanDerWaalsContact OD1-NH2 3.11Å; R254-N256 VanDerWaalsContact C-N 3.34Å; R254-N256 PolarHBondContact O-N 3.11Å; R254-L257 PolarHBondContact O-N 3.22Å; R254-S258 PolarHBondContact O-N 3.45Å; R254-S258 PolarHBondContact O-OG 3.32Å
255H97.2Very high95.8Very high52 Ų5255.2 Ų55.224%0.24129%0.293CS..Hα-helixtrans-58.8-45175.9170.568.1000111.9H127 N251 I253 L257 S258 L259H127-H255 AromaticContact CE1-CE1 3.81Å; N251-H255 WeakPolarHBondContact O-CB 3.14Å; N251-H255 PolarHBondContact O-N 3.32Å; I253-H255 VanDerWaalsContact C-N 3.29Å; I253-H255 PolarHBondContact O-N 2.93Å; H255-L257 PolarHBondContact O-N 2.83Å; H255-S258 PolarHBondContact O-N 3.04Å; H255-S258 PolarHBondContact O-OG 3.1Å; H255-L259 WeakPolarHBondContact CE1-CD1 3.46Å; H255-L259 VanDerWaalsContact NE2-CD1 3.32Å; H255-L259 WeakPolarHBondContact NE2-CD1 3.49Å; H255-L259 WeakPolarHBondContact O-CB 3.46Å; H255-L259 PolarHBondContact O-N 3.33Å
256N97.5Very high96.1Very high23 Ų2352 Ų5212%0.12329%0.288CS..Hα-helixtrans-66.6-36.6179.9-87.2-85.9000113.1I214 S252 I253 R254 S258 L259 N260I214-N256 HydrophobicContact CD1-CB 3.83Å; S252-N256 WeakPolarHBondContact O-CB 3.24Å; S252-N256 PolarHBondContact O-N 3.24Å; S252-N256 PolarHBondContact O-ND2 3.42Å; I253-N256 PolarHBondContact O-N 2.92Å; I253-N256 VanDerWaalsContact O-N 3.12Å; R254-N256 VanDerWaalsContact C-N 3.34Å; R254-N256 PolarHBondContact O-N 3.11Å; N256-S258 VanDerWaalsContact C-N 3.3Å; N256-L259 PolarHBondContact O-N 2.9Å; N256-N260 PolarHBondContact O-N 3.35Å; N256-N260 PolarHBondContact O-ND2 3.01Å; N256-N260 PolarHBondContact OD1-ND2 3.35Å
257L97.7Very high96.4Very high3 Ų352 Ų522%0.01629%0.287CS..Hα-helixtrans-62.7-37.9175.2-72.4168.7000111.9I214 L228 I231 I253 R254 H255 F263 W277I214-L257 HydrophobicContact CD1-CD2 4.21Å; I214-L257 HydrophobicContact CD1-CG 4.12Å; I214-L257 HydrophobicContact CG2-CD2 3.67Å; L228-L257 HydrophobicContact CD1-CD1 3.57Å; I231-L257 HydrophobicContact CD1-CD1 4.21Å; I231-L257 HydrophobicContact CD1-CD2 4.29Å; I253-L257 HydrophobicContact CG2-CD1 4.15Å; I253-L257 WeakPolarHBondContact O-CG 3.43Å; I253-L257 PolarHBondContact O-N 2.74Å; R254-L257 PolarHBondContact O-N 3.22Å; H255-L257 PolarHBondContact O-N 2.83Å; L257-F263 HydrophobicContact CD2-CB 4.06Å; L257-F263 HydrophobicContact CD2-CD2 4.24Å; L257-F263 HydrophobicContact CD2-CG 4.03Å; L257-W277 HydrophobicContact CB-CD2 4.17Å; L257-W277 HydrophobicContact CB-CE3 4.06Å; L257-W277 HydrophobicContact CB-CH2 3.88Å; L257-W277 HydrophobicContact CB-CZ2 4.01Å; L257-W277 HydrophobicContact CB-CZ3 3.92Å; L257-W277 HydrophobicContact CD1-CD2 4.18Å; L257-W277 HydrophobicContact CD1-CG 4.25Å; L257-W277 HydrophobicContact CD2-CB 4.13Å; L257-W277 HydrophobicContact CD2-CD2 3.85Å; L257-W277 HydrophobicContact CD2-CE3 3.94Å; L257-W277 HydrophobicContact CD2-CG 3.95Å; L257-W277 HydrophobicContact CG-CD2 4.3Å; L257-W277 HydrophobicContact CG-CE3 4.49Å; L257-W277 VanDerWaalsContact O-CZ3 3.24Å; L257-W277 WeakPolarHBondContact O-CZ3 3.33Å
258S96.7Very high96.5Very high90 Ų9058.1 Ų58.163%0.62931%0.305SS*.Hα-helixtrans-84.5-25.9177.6550000114.5R254 H255 N256R254-S258 PolarHBondContact O-N 3.45Å; R254-S258 PolarHBondContact O-OG 3.32Å; H255-S258 PolarHBondContact O-N 3.04Å; H255-S258 PolarHBondContact O-OG 3.1Å; N256-S258 VanDerWaalsContact C-N 3.3Å
259L94.5Very high96.5Very high79 Ų7956.3 Ų56.341%0.41429%0.286SS..Hα-helixtrans-83.2-35.2-173.6179.3148.8000112.9H255 N256H255-L259 WeakPolarHBondContact CE1-CD1 3.46Å; H255-L259 VanDerWaalsContact NE2-CD1 3.32Å; H255-L259 WeakPolarHBondContact NE2-CD1 3.49Å; H255-L259 WeakPolarHBondContact O-CB 3.46Å; H255-L259 PolarHBondContact O-N 3.33Å; N256-L259 PolarHBondContact O-N 2.9Å
260N95.1Very high96.3Very high8 Ų860.4 Ų60.44%0.04332%0.322CS..  trans-105123.4-171.9-58.4-83000111N256 C262 F263N256-N260 PolarHBondContact O-N 3.35Å; N256-N260 PolarHBondContact O-ND2 3.01Å; N256-N260 PolarHBondContact OD1-ND2 3.35Å; N260-C262 VanDerWaalsContact CB-SG 3.55Å; N260-C262 PolarHBondContact O-N 3.05Å; N260-F263 HydrophobicContact CB-CD2 4.38Å; N260-F263 PolarHBondContact O-N 3.32Å
261D93.7Very high96Very high142 Ų14260.5 Ų60.576%0.75933%0.329SS*.THydrogen-bonded Turntrans-62.3-12.2178.8-54.4-31000114F263D261-F263 PolarHBondContact O-N 3.03Å
262C95Very high95.8Very high13 Ų1357.6 Ų57.69%0.08832%0.321CS..THydrogen-bonded Turntrans-68.8-16.6173.561.60000113N260 I279 H280 N283 F287N260-C262 VanDerWaalsContact CB-SG 3.55Å; N260-C262 PolarHBondContact O-N 3.05Å; C262-I279 CarbonylContact O-C 3.59Å; C262-I279 VanDerWaalsContact O-CA 3.31Å; C262-I279 WeakPolarHBondContact O-CA 3.42Å; C262-H280 PolarHBondContact O-N 2.87Å; C262-N283 HydrophobicContact CB-CB 4.13Å; C262-F287 HydrophobicContact CB-CE2 4.15Å; C262-F287 HydrophobicContact CB-CZ 3.9Å
263F97.1Very high95.5Very high9 Ų964.6 Ų64.64%0.03935%0.348CS..EExtended strand (participates in β ladder)trans-109.9124.2175-57.6-57.5000110.4I211 I214 I218 L257 N260 D261 W277 G278 I279 F287I211-F263 HydrophobicContact CB-CE2 4.47Å; I211-F263 HydrophobicContact CG2-CE2 4.08Å; I211-F263 HydrophobicContact CG2-CZ 3.93Å; I214-F263 HydrophobicContact CB-CE1 4.08Å; I214-F263 HydrophobicContact CB-CE2 4.17Å; I214-F263 HydrophobicContact CB-CZ 3.67Å; I214-F263 HydrophobicContact CD1-CE2 4.13Å; I214-F263 HydrophobicContact CD1-CZ 4.49Å; I214-F263 HydrophobicContact CG2-CD1 3.86Å; I214-F263 HydrophobicContact CG2-CD2 4.37Å; I214-F263 HydrophobicContact CG2-CE1 3.42Å; I214-F263 VanDerWaalsContact CG2-CE1 3.42Å; I214-F263 HydrophobicContact CG2-CE2 3.97Å; I214-F263 HydrophobicContact CG2-CG 4.32Å; I214-F263 HydrophobicContact CG2-CZ 3.48Å; I214-F263 VanDerWaalsContact CG2-CZ 3.48Å; I218-F263 HydrophobicContact CD1-CD1 3.99Å; I218-F263 HydrophobicContact CD1-CE1 4.21Å; L257-F263 HydrophobicContact CD2-CB 4.06Å; L257-F263 HydrophobicContact CD2-CD2 4.24Å; L257-F263 HydrophobicContact CD2-CG 4.03Å; N260-F263 HydrophobicContact CB-CD2 4.38Å; N260-F263 PolarHBondContact O-N 3.32Å; D261-F263 PolarHBondContact O-N 3.03Å; F263-W277 HydrophobicContact CB-CE3 4.23Å; F263-G278 WeakPolarHBondContact CA-O 3.21Å; F263-I279 HydrophobicContact CD1-CG1 4.38Å; F263-I279 HydrophobicContact CE1-CG1 4.27Å; F263-F287 HydrophobicContact CE1-CE2 4.04Å; F263-F287 HydrophobicContact CZ-CE2 4.22Å
264I97.2Very high95.4Very high51 Ų5166.3 Ų66.326%0.26237%0.366SS..EExtended strand (participates in β ladder)trans-121151.7-176.956.1169.1000110.8V266 W277 G278 H280I264-V266 HydrophobicContact CD1-CG2 4.34Å; I264-V266 HydrophobicContact CG1-CG2 4.07Å; I264-W277 WeakPolarHBondContact O-CA 2.95Å; I264-G278 PolarHBondContact N-O 3.43Å; I264-G278 PolarHBondContact O-N 3.28Å; I264-H280 HydrophobicContact CG2-CB 4.11Å
265K97.6Very high95.3Very high109 Ų10964.8 Ų64.847%0.47436%0.363SS..EExtended strand (participates in β ladder)trans-80.5125.5169.5-64.4176.9-175.4171.70108.8H275 Y276 W277K265-H275 HydrophobicContact CB-CB 4.48Å; K265-H275 HydrophobicContact CG-CB 4.41Å; K265-Y276 CarbonylContact C-O 3.6Å; K265-Y276 WeakPolarHBondContact CA-O 2.81Å; K265-W277 HydrophobicContact CD-CH2 4.49Å; K265-W277 HydrophobicContact CG-CE3 4.23Å; K265-W277 HydrophobicContact CG-CH2 3.92Å; K265-W277 HydrophobicContact CG-CZ2 4.18Å; K265-W277 HydrophobicContact CG-CZ3 3.93Å
266V95.4Very high95.4Very high65 Ų6564.4 Ų64.439%0.39436%0.36SS..EExtended strand (participates in β ladder)trans-109.329.4-173.5-165.80000111.5I264 Y276I264-V266 HydrophobicContact CD1-CG2 4.34Å; I264-V266 HydrophobicContact CG1-CG2 4.07Å; V266-Y276 PolarHBondContact N-O 2.81Å
267G95.5Very high95.4Very high38 Ų3865 Ų6539%0.39236%0.361SS..EExtended strand (participates in β ladder)trans100.7177.5-177.500000114.5H275 Y276G267-H275 VanDerWaalsContact O-CA 3.31Å; G267-H275 WeakPolarHBondContact O-CA 3.32Å; G267-H275 WeakPolarHBondContact O-CB 3.3Å; G267-Y276 PolarHBondContact O-N 3.38Å
268R96.5Very high95.4Very high173 Ų17364.9 Ų64.965%0.65336%0.361SS*.EExtended strand (participates in β ladder)trans-77.1141.9-175.6-163.7172.5-176.1111.33.2111G272 G274R268-G272 PolarHBondContact NH2-O 3.26Å; R268-G274 WeakPolarHBondContact CG-O 3.33Å
269A94.7Very high95.4Very high5 Ų561.2 Ų61.24%0.04133%0.334CS..  trans-66.8143.2176.400000111.7I227 N271 G272 G274 Y276I227-A269 HydrophobicContact CG2-CB 3.6Å; A269-N271 WeakPolarHBondContact CB-OD1 3.39Å; A269-N271 PolarHBondContact O-N 2.92Å; A269-G272 WeakPolarHBondContact O-CA 3.31Å; A269-G272 PolarHBondContact O-N 2.96Å; A269-G274 PolarHBondContact N-O 2.88Å; A269-Y276 VanDerWaalsContact CA-CE2 3.48Å; A269-Y276 HydrophobicContact CB-CE2 4.31Å
270A92.7Very high95.5Very high96 Ų9659.7 Ų59.779%0.79333%0.325SS*.THydrogen-bonded Turntrans-60.4-28.8179.700000113G272A270-G272 PolarHBondContact O-N 3.19Å
271N91.4Very high95.5Very high89 Ų8963.8 Ų63.848%0.47635%0.352SS..THydrogen-bonded Turntrans-75.90.4174.967.94.4000113.9I227 A269 K273I227-N271 WeakPolarHBondContact CD1-ND2 3.14Å; A269-N271 WeakPolarHBondContact CB-OD1 3.39Å; A269-N271 PolarHBondContact O-N 2.92Å; N271-K273 PolarHBondContact O-N 3.27Å; N271-K273 VanDerWaalsContact O-N 3.11Å; N271-K273 PolarHBondContact OD1-N 3.2Å
272G92.2Very high95.4Very high32 Ų3260.6 Ų60.633%0.3335%0.345SS..SBendtrans72-5.5-176.700000115.4R268 A269 A270 G274R268-G272 PolarHBondContact NH2-O 3.26Å; A269-G272 WeakPolarHBondContact O-CA 3.31Å; A269-G272 PolarHBondContact O-N 2.96Å; A270-G272 PolarHBondContact O-N 3.19Å; G272-G274 PolarHBondContact O-N 3.49Å
273K91.3Very high95.3Very high169 Ų16962.3 Ų62.374%0.73535%0.353SS*.SBendtrans-98.984.5-174.8-64.8-178.2-177177.20110.7N271N271-K273 PolarHBondContact O-N 3.27Å; N271-K273 VanDerWaalsContact O-N 3.11Å; N271-K273 PolarHBondContact OD1-N 3.2Å
274G95.2Very high95.2Very high36 Ų3664.3 Ų64.337%0.37136%0.364SS..SBendtrans88.6-154.5173.700000113.8R268 A269 G272R268-G274 WeakPolarHBondContact CG-O 3.33Å; A269-G274 PolarHBondContact N-O 2.88Å; G272-G274 PolarHBondContact O-N 3.49Å
275H97.6Very high95Very high78 Ų7869.6 Ų69.636%0.36139%0.385SS..EExtended strand (participates in β ladder)trans-123.9151.2-173.5-59.383.2000110.2K265 G267K265-H275 HydrophobicContact CB-CB 4.48Å; K265-H275 HydrophobicContact CG-CB 4.41Å; G267-H275 VanDerWaalsContact O-CA 3.31Å; G267-H275 WeakPolarHBondContact O-CA 3.32Å; G267-H275 WeakPolarHBondContact O-CB 3.3Å
276Y98.1Very high94.8Very high44 Ų4467 Ų6717%0.17338%0.377CS..EExtended strand (participates in β ladder)trans-70.4134.2164.2-73-68.7000109.7R225 I227 K265 V266 G267 A269R225-Y276 HydrophobicContact CB-CD1 4.43Å; R225-Y276 HydrophobicContact CG-CD1 3.88Å; R225-Y276 HydrophobicContact CG-CG 4.1Å; I227-Y276 HydrophobicContact CG2-CD1 3.56Å; I227-Y276 HydrophobicContact CG2-CE1 3.63Å; I227-Y276 HydrophobicContact CG2-CG 4.25Å; K265-Y276 CarbonylContact C-O 3.6Å; K265-Y276 WeakPolarHBondContact CA-O 2.81Å; V266-Y276 PolarHBondContact N-O 2.81Å; G267-Y276 PolarHBondContact O-N 3.38Å; A269-Y276 VanDerWaalsContact CA-CE2 3.48Å; A269-Y276 HydrophobicContact CB-CE2 4.31Å
277W98.4Very high94.7Very high35 Ų3564.4 Ų64.413%0.13336%0.36CS..EExtended strand (participates in β ladder)trans-102.6129.9169.2-68.893.3000109.4I218 R225 M226 I231 L257 F263 I264 K265I218-W277 HydrophobicContact CD1-CB 4.35Å; R225-W277 CarbonylContact C-O 3.53Å; R225-W277 WeakPolarHBondContact CA-O 3.34Å; M226-W277 PolarHBondContact N-O 2.98Å; M226-W277 WeakPolarHBondContact O-CB 3.39Å; M226-W277 PolarHBondContact O-N 3.33Å; I231-W277 HydrophobicContact CD1-CB 4.39Å; L257-W277 HydrophobicContact CB-CD2 4.17Å; L257-W277 HydrophobicContact CB-CE3 4.06Å; L257-W277 HydrophobicContact CB-CH2 3.88Å; L257-W277 HydrophobicContact CB-CZ2 4.01Å; L257-W277 HydrophobicContact CB-CZ3 3.92Å; L257-W277 HydrophobicContact CD1-CD2 4.18Å; L257-W277 HydrophobicContact CD1-CG 4.25Å; L257-W277 HydrophobicContact CD2-CB 4.13Å; L257-W277 HydrophobicContact CD2-CD2 3.85Å; L257-W277 HydrophobicContact CD2-CE3 3.94Å; L257-W277 HydrophobicContact CD2-CG 3.95Å; L257-W277 HydrophobicContact CG-CD2 4.3Å; L257-W277 HydrophobicContact CG-CE3 4.49Å; L257-W277 VanDerWaalsContact O-CZ3 3.24Å; L257-W277 WeakPolarHBondContact O-CZ3 3.33Å; F263-W277 HydrophobicContact CB-CE3 4.23Å; I264-W277 WeakPolarHBondContact O-CA 2.95Å; K265-W277 HydrophobicContact CD-CH2 4.49Å; K265-W277 HydrophobicContact CG-CE3 4.23Å; K265-W277 HydrophobicContact CG-CH2 3.92Å; K265-W277 HydrophobicContact CG-CZ2 4.18Å; K265-W277 HydrophobicContact CG-CZ3 3.93Å
278G97.7Very high94.7Very high2 Ų267.3 Ų67.32%0.02137%0.366CS..EExtended strand (participates in β ladder)trans-125.9173176.600000111.5F263 I264F263-G278 WeakPolarHBondContact CA-O 3.21Å; I264-G278 PolarHBondContact N-O 3.43Å; I264-G278 PolarHBondContact O-N 3.28Å
279I96.9Very high94.5Very high13 Ų1363.6 Ų63.67%0.06737%0.366CS..EExtended strand (participates in β ladder)trans-91.8132.7174.2-65.1156.8000108.6I218 L219 C262 F263 N283 L284 F287I218-I279 HydrophobicContact CB-CD1 4.17Å; I218-I279 HydrophobicContact CB-CG1 4.4Å; I218-I279 HydrophobicContact CD1-CG1 4.37Å; I218-I279 HydrophobicContact CG2-CD1 3.91Å; I218-I279 HydrophobicContact CG2-CG1 4.01Å; L219-I279 HydrophobicContact CD1-CD1 4.44Å; L219-I279 HydrophobicContact CD2-CD1 3.67Å; L219-I279 HydrophobicContact CG-CD1 3.69Å; C262-I279 CarbonylContact O-C 3.59Å; C262-I279 VanDerWaalsContact O-CA 3.31Å; C262-I279 WeakPolarHBondContact O-CA 3.42Å; F263-I279 HydrophobicContact CD1-CG1 4.38Å; F263-I279 HydrophobicContact CE1-CG1 4.27Å; I279-N283 HydrophobicContact CG2-CB 4.17Å; I279-L284 HydrophobicContact CB-CD1 4.28Å; I279-L284 HydrophobicContact CD1-CD1 4.37Å; I279-L284 HydrophobicContact CG2-CB 4.3Å; I279-L284 HydrophobicContact CG2-CD1 4.31Å; I279-F287 HydrophobicContact CD1-CD2 3.81Å; I279-F287 HydrophobicContact CG1-CD2 3.93Å; I279-F287 HydrophobicContact CG1-CE2 4.37Å; I279-F287 HydrophobicContact CG2-CD2 3.72Å; I279-F287 HydrophobicContact CG2-CE2 4.16Å; I279-F287 HydrophobicContact CG2-CG 4.43Å
280H96.1Very high94.4Very high46 Ų4665.3 Ų65.321%0.21339%0.385CS..  trans-57.5135.1175.2-171.9-79.6000110C262 I264 A282 N283 L284C262-H280 PolarHBondContact O-N 2.87Å; I264-H280 HydrophobicContact CG2-CB 4.11Å; H280-A282 VanDerWaalsContact ND1-CB 3.3Å; H280-A282 WeakPolarHBondContact ND1-CB 3.26Å; H280-A282 PolarHBondContact ND1-N 3Å; H280-A282 VanDerWaalsContact ND1-N 3.15Å; H280-A282 PolarHBondContact O-N 3.45Å; H280-A282 VanDerWaalsContact O-N 3.08Å; H280-N283 PolarHBondContact O-N 3.13Å; H280-L284 PolarHBondContact O-N 3.38Å
281P94.6Very high94.4Very high95 Ų9562.3 Ų62.362%0.61736%0.355SS*.Hα-helixtrans-55-34.9-174.119-32.8000113.5N283 L284P281-N283 PolarHBondContact O-N 3.44Å; P281-L284 PolarHBondContact O-N 3.3Å
282A93Very high94.3Very high74 Ų7459.3 Ų59.361%0.61234%0.338SS*.Hα-helixtrans-61.1-26.1176.100000114.6H280H280-A282 VanDerWaalsContact ND1-CB 3.3Å; H280-A282 WeakPolarHBondContact ND1-CB 3.26Å; H280-A282 PolarHBondContact ND1-N 3Å; H280-A282 VanDerWaalsContact ND1-N 3.15Å; H280-A282 PolarHBondContact O-N 3.45Å; H280-A282 VanDerWaalsContact O-N 3.08Å
283N93.2Very high93.7Very high50 Ų5066.6 Ų66.627%0.26736%0.356SS..Hα-helixtrans-103.5-9.6-179.4-60.8106.4000113C262 I279 H280 P281 K285 D286 F287C262-N283 HydrophobicContact CB-CB 4.13Å; I279-N283 HydrophobicContact CG2-CB 4.17Å; H280-N283 PolarHBondContact O-N 3.13Å; P281-N283 PolarHBondContact O-N 3.44Å; N283-K285 VanDerWaalsContact C-N 3.35Å; N283-K285 PolarHBondContact O-N 3.4Å; N283-D286 PolarHBondContact O-N 2.92Å; N283-F287 HydrophobicContact CB-CE1 4.46Å; N283-F287 PolarHBondContact O-N 3.47Å
284L93.9Very high92.7Very high50 Ų5065.7 Ų65.726%0.26235%0.347SS..Hα-helixtrans-60.4-42.9-173.2-176.561.9000112.1L219 I279 H280 P281 F287 L288L219-L284 HydrophobicContact CD2-CD1 3.81Å; I279-L284 HydrophobicContact CB-CD1 4.28Å; I279-L284 HydrophobicContact CD1-CD1 4.37Å; I279-L284 HydrophobicContact CG2-CB 4.3Å; I279-L284 HydrophobicContact CG2-CD1 4.31Å; H280-L284 PolarHBondContact O-N 3.38Å; P281-L284 PolarHBondContact O-N 3.3Å; L284-F287 PolarHBondContact O-N 3.45Å; L284-L288 HydrophobicContact CD1-CD1 4.34Å; L284-L288 HydrophobicContact CD1-CG 4.38Å; L284-L288 HydrophobicContact CG-CD1 4.04Å; L284-L288 WeakPolarHBondContact O-CB 3.27Å; L284-L288 VanDerWaalsContact O-CG 3.26Å; L284-L288 WeakPolarHBondContact O-CG 3.45Å; L284-L288 PolarHBondContact O-N 2.85Å
285K93.5Very high91.2Very high163 Ų16371.8 Ų71.871%0.70936%0.359SS*.Hα-helixtrans-63.4-44.1178.7-174.6178.5178.61800112.6N283 L288 S289N283-K285 VanDerWaalsContact C-N 3.35Å; N283-K285 PolarHBondContact O-N 3.4Å; K285-L288 PolarHBondContact O-N 2.82Å; K285-S289 PolarHBondContact O-N 3.49Å; K285-S289 VanDerWaalsContact O-N 3.1Å; K285-S289 PolarHBondContact O-OG 3.09Å
286D92.9Very high89.3Confident54 Ų5478.2 Ų78.229%0.28938%0.38SS..Hα-helixtrans-63.7-44.4178.3-70-13.3000110.5N283 S289 G290 D291 R295N283-D286 PolarHBondContact O-N 2.92Å; D286-S289 CarbonylContact O-C 3.51Å; D286-S289 WeakPolarHBondContact O-CB 3.31Å; D286-S289 PolarHBondContact O-N 2.8Å; D286-S289 VanDerWaalsContact O-N 3.15Å; D286-G290 PolarHBondContact O-N 3.08Å; D286-D291 PolarHBondContact O-N 2.82Å; D286-R295 IonicContact OD2-NH2 2.74Å; D286-R295 PolarHBondContact OD2-NH2 3.44Å
287F94.5Very high87Confident10 Ų1079.9 Ų79.94%0.04440%0.403CS..Hα-helixtrans-69.2-37.5-179.5-75.912.6000112.4I211 A215 L219 C262 F263 I279 N283 L284 S289 G290 D291 F292I211-F287 HydrophobicContact CG2-CE2 4.41Å; I211-F287 HydrophobicContact CG2-CZ 3.85Å; A215-F287 HydrophobicContact CB-CD2 3.5Å; A215-F287 HydrophobicContact CB-CE2 3.8Å; A215-F287 HydrophobicContact CB-CG 4.19Å; L219-F287 HydrophobicContact CD1-CB 4.14Å; C262-F287 HydrophobicContact CB-CE2 4.15Å; C262-F287 HydrophobicContact CB-CZ 3.9Å; F263-F287 HydrophobicContact CE1-CE2 4.04Å; F263-F287 HydrophobicContact CZ-CE2 4.22Å; I279-F287 HydrophobicContact CD1-CD2 3.81Å; I279-F287 HydrophobicContact CG1-CD2 3.93Å; I279-F287 HydrophobicContact CG1-CE2 4.37Å; I279-F287 HydrophobicContact CG2-CD2 3.72Å; I279-F287 HydrophobicContact CG2-CE2 4.16Å; I279-F287 HydrophobicContact CG2-CG 4.43Å; N283-F287 HydrophobicContact CB-CE1 4.46Å; N283-F287 PolarHBondContact O-N 3.47Å; L284-F287 PolarHBondContact O-N 3.45Å; F287-S289 PolarHBondContact O-N 2.9Å; F287-G290 PolarHBondContact O-N 3.34Å; F287-G290 VanDerWaalsContact O-N 3.08Å; F287-D291 WeakPolarHBondContact CD1-O 3.43Å; F287-F292 HydrophobicContact CB-CD1 4.3Å; F287-F292 HydrophobicContact CB-CE1 4.25Å; F287-F292 HydrophobicContact CD1-CD1 4.11Å; F287-F292 HydrophobicContact CG-CD1 4.08Å; F287-F292 HydrophobicContact CG-CE1 4.5Å; F287-F292 WeakPolarHBondContact O-CE1 3.44Å
288L94.3Very high84.5Confident99 Ų9986.4 Ų86.452%0.51844%0.435SS..Hα-helixtrans-61.9-33171.6-77.2169.4000112.1L219 L284 K285 G290L219-L288 HydrophobicContact CD1-CD2 4.42Å; L219-L288 HydrophobicContact CD2-CD2 3.7Å; L219-L288 HydrophobicContact CD2-CG 4.07Å; L284-L288 HydrophobicContact CD1-CD1 4.34Å; L284-L288 HydrophobicContact CD1-CG 4.38Å; L284-L288 HydrophobicContact CG-CD1 4.04Å; L284-L288 WeakPolarHBondContact O-CB 3.27Å; L284-L288 VanDerWaalsContact O-CG 3.26Å; L284-L288 WeakPolarHBondContact O-CG 3.45Å; L284-L288 PolarHBondContact O-N 2.85Å; K285-L288 PolarHBondContact O-N 2.82Å; L288-G290 PolarHBondContact O-N 2.86Å
289S93.2Very high81.8Confident95 Ų9597.5 Ų97.566%0.66448%0.477SS*.THydrogen-bonded Turntrans-78-3.9176-510000113.2K285 D286 F287K285-S289 PolarHBondContact O-N 3.49Å; K285-S289 VanDerWaalsContact O-N 3.1Å; K285-S289 PolarHBondContact O-OG 3.09Å; D286-S289 CarbonylContact O-C 3.51Å; D286-S289 WeakPolarHBondContact O-CB 3.31Å; D286-S289 PolarHBondContact O-N 2.8Å; D286-S289 VanDerWaalsContact O-N 3.15Å; F287-S289 PolarHBondContact O-N 2.9Å
290G92.3Very high79.3Confident41 Ų41105.6 Ų105.642%0.42351%0.511SS..THydrogen-bonded Turntrans863.1-178.300000115.1D286 F287 L288 F292D286-G290 PolarHBondContact O-N 3.08Å; F287-G290 PolarHBondContact O-N 3.34Å; F287-G290 VanDerWaalsContact O-N 3.08Å; L288-G290 PolarHBondContact O-N 2.86Å; G290-F292 WeakPolarHBondContact O-CD2 3.32Å; G290-F292 WeakPolarHBondContact O-CE2 3.41Å; G290-F292 PolarHBondContact O-N 3.45Å
291D91.4Very high76.9Confident33 Ų33111.2 Ų111.218%0.17654%0.542CS..  trans-85.889.3175.1-165.2-3.9000110.4D286 F287 R293 R295D286-D291 PolarHBondContact O-N 2.82Å; F287-D291 WeakPolarHBondContact CD1-O 3.43Å; D291-R293 PolarHBondContact O-N 3.46Å; D291-R293 WeakPolarHBondContact OD1-CB 3.47Å; D291-R293 WeakPolarHBondContact OD1-CG 3.35Å; D291-R293 IonicContact OD1-CZ 3.59Å; D291-R293 PolarHBondContact OD1-N 2.87Å; D291-R293 IonicContact OD1-NE 3.66Å; D291-R293 PolarHBondContact OD1-NE 3.37Å; D291-R293 IonicContact OD1-NH2 3.33Å; D291-R293 IonicContact OD2-CZ 2.87Å; D291-R293 IonicContact OD2-NE 3.68Å; D291-R293 IonicContact OD2-NH2 3.74Å; D291-R293 PolarHBondContact OD2-NH2 2.81Å; D291-R295 IonicContact OD2-NH1 2.86Å
292F89.8Confident74.7Confident27 Ų27112.9 Ų112.912%0.11855%0.55CS..  trans-86.67.4175.5-47.3-62.6000113F208 A215 K216 F287 G290 R294F208-F292 HydrophobicContact CD1-CD2 4.41Å; F208-F292 HydrophobicContact CD1-CE2 4.43Å; F208-F292 HydrophobicContact CE1-CE2 4.27Å; A215-F292 HydrophobicContact CB-CD1 3.59Å; A215-F292 HydrophobicContact CB-CE1 3.71Å; K216-F292 HydrophobicContact CG-CE1 4.5Å; K216-F292 HydrophobicContact CG-CE2 4.3Å; K216-F292 HydrophobicContact CG-CZ 3.84Å; F287-F292 HydrophobicContact CB-CD1 4.3Å; F287-F292 HydrophobicContact CB-CE1 4.25Å; F287-F292 HydrophobicContact CD1-CD1 4.11Å; F287-F292 HydrophobicContact CG-CD1 4.08Å; F287-F292 HydrophobicContact CG-CE1 4.5Å; F287-F292 WeakPolarHBondContact O-CE1 3.44Å; G290-F292 WeakPolarHBondContact O-CD2 3.32Å; G290-F292 WeakPolarHBondContact O-CE2 3.41Å; G290-F292 PolarHBondContact O-N 3.45Å; F292-R294 PolarHBondContact O-N 3.29Å
293R80.2Confident72.1Confident184 Ų184115.4 Ų115.469%0.69455%0.553SS**  trans-76123.7-177.5-61174.1-61.7-175.13.1108.9D291 R295D291-R293 PolarHBondContact O-N 3.46Å; D291-R293 WeakPolarHBondContact OD1-CB 3.47Å; D291-R293 WeakPolarHBondContact OD1-CG 3.35Å; D291-R293 IonicContact OD1-CZ 3.59Å; D291-R293 PolarHBondContact OD1-N 2.87Å; D291-R293 IonicContact OD1-NE 3.66Å; D291-R293 PolarHBondContact OD1-NE 3.37Å; D291-R293 IonicContact OD1-NH2 3.33Å; D291-R293 IonicContact OD2-CZ 2.87Å; D291-R293 IonicContact OD2-NE 3.68Å; D291-R293 IonicContact OD2-NH2 3.74Å; D291-R293 PolarHBondContact OD2-NH2 2.81Å; R293-R295 PolarHBondContact O-N 2.95Å
294R70.1Confident69.4Low150 Ų150118.2 Ų118.257%0.56658%0.577SS**  trans-70.5102168-168.6-170.274.2-170.43.2108.6I211 F292 R296I211-R294 HydrophobicContact CD1-CB 4.45Å; F292-R294 PolarHBondContact O-N 3.29Å; R294-R296 PolarHBondContact O-N 3.21Å
295R64.5Low66.9Low165 Ų165124.1 Ų124.162%0.62360%0.603SS**  trans-66118.2160-72.1-171.1-71.5-100.6-3.1107D286 D291 R293 A297D286-R295 IonicContact OD2-NH2 2.74Å; D286-R295 PolarHBondContact OD2-NH2 3.44Å; D291-R295 IonicContact OD2-NH1 2.86Å; R293-R295 PolarHBondContact O-N 2.95Å; R295-A297 PolarHBondContact O-N 3.47Å
296R56.3Low64.4Low212 Ų212123.7 Ų123.780%0.860%0.604SS**  trans-58.8112.7166.6-159.4179.4-136.7156.72104.6R294 Q298R294-R296 PolarHBondContact O-N 3.21Å; R296-Q298 PolarHBondContact O-N 2.86Å
297A49.7Very low61.6Low79 Ų79125.2 Ų125.265%0.65362%0.618SS**  trans-54.4115.2170.700000105.8R295 R299R295-A297 PolarHBondContact O-N 3.47Å; A297-R299 VanDerWaalsContact C-N 3.31Å; A297-R299 PolarHBondContact O-N 3.36Å
298Q45.6Very low58.8Low172 Ų172133 Ų13380%0.80465%0.648SS**  trans-51111.8156.3-71.2-72.8-10.700103R296 K300R296-Q298 PolarHBondContact O-N 2.86Å; Q298-K300 PolarHBondContact O-N 2.91Å
299R41.3Very low56.4Low236 Ų236134.6 Ų134.689%0.89166%0.656SS**  trans-64.280.4179.1-68.3-179.5-171.3149.5-2.1106.4A297 L301A297-R299 VanDerWaalsContact C-N 3.31Å; A297-R299 PolarHBondContact O-N 3.36Å; R299-L301 PolarHBondContact O-N 3.35Å; R299-L301 VanDerWaalsContact O-N 3.14Å
300K45.4Very low53.8Low183 Ų183136.6 Ų136.680%0.79666%0.655SS**  trans-65.6110.5154.7-74.3-170.5176.5-175.10103.1Q298 V302Q298-K300 PolarHBondContact O-N 2.91Å; K300-V302 HydrophobicContact CB-CG2 4.5Å; K300-V302 PolarHBondContact O-N 2.97Å
301L45.6Very low51.2Low163 Ų163141.7 Ų141.785%0.85366%0.661SS**  trans-50.386.2167-71147.5000107.7R299R299-L301 PolarHBondContact O-N 3.35Å; R299-L301 VanDerWaalsContact O-N 3.14Å
302V48.1Very low48.8Very low130 Ų130144.7 Ų144.779%0.78868%0.68SS**  trans-108.491.5163.2-177.10000104.8K300K300-V302 HydrophobicContact CB-CG2 4.5Å; K300-V302 PolarHBondContact O-N 2.97Å
303N37.8Very low46.4Very low127 Ų127150.9 Ų150.968%0.67971%0.714SS**  trans-36.2130.5166.9-79.9-23.2000112.2Q305N303-Q305 PolarHBondContact O-N 2.94Å
304S36.1Very low44.5Very low109 Ų109148.4 Ų148.476%0.76272%0.715SS**SBendtrans68.640.2131.3-45.10000120.2
305Q41.6Very low43Very low174 Ų174146.9 Ų146.981%0.81372%0.715SS**  trans-141.9-8.3165.5-67.6-165.65.600117.5N303 C307N303-Q305 PolarHBondContact O-N 2.94Å; Q305-C307 VanDerWaalsContact C-N 3.35Å; Q305-C307 PolarHBondContact O-N 3.2Å
306Q42.2Very low41.8Very low154 Ų154148.1 Ų148.172%0.7272%0.724SS**THydrogen-bonded Turntrans-85.57.7-170.8-149.769.126.500115.9
307C34.6Very low41Very low87 Ų87143.2 Ų143.259%0.58872%0.718SS**THydrogen-bonded Turntrans-91.69.1-178.9-48.30000114Q305Q305-C307 VanDerWaalsContact C-N 3.35Å; Q305-C307 PolarHBondContact O-N 3.2Å
308Y34Very low40.4Very low174 Ų174145.4 Ų145.468%0.68272%0.719SS**  trans-98.70-165.3-135.5-91.3000116
309I44.4Very low40.2Very low132 Ų132144.3 Ų144.368%0.67772%0.717SS**SBendtrans-98.1-2.2-175-59.4-178.5000113.5
310Q39.8Very low40.1Very low137 Ų137137.1 Ų137.164%0.6470%0.696SS**SBendtrans-120.58.2179.1-140.9101.67.900114.6
311R36.9Very low39.9Very low148 Ų148138.1 Ų138.156%0.55870%0.695SS**SBendtrans-110.5-1.1179.8-67.1-167.5-153.7138.43114.8Q315R311-Q315 WeakPolarHBondContact O-CB 3.49Å; R311-Q315 WeakPolarHBondContact O-CG 3.49Å
312V41.5Very low39.7Very low96 Ų96137 Ų13758%0.58269%0.69SS**SBendtrans-86.5-14.7-172.3-161.50000112.7
313D39.2Very low39.7Very low156 Ų156137.9 Ų137.983%0.83468%0.683SS**SBendtrans-103.6-9.1176.2-65.1-31.5000114.3
314D39.5Very low39.8Very low132 Ų132135.7 Ų135.771%0.70668%0.678SS**SBendtrans-111.78.1-179.6-74.2-31.1000113.6
315Q38.7Very low40.2Very low119 Ų119135.2 Ų135.256%0.55666%0.663SS**SBendtrans-122.610.9-177.8-70.3-89.2-62.800113.8R311 T317R311-Q315 WeakPolarHBondContact O-CB 3.49Å; R311-Q315 WeakPolarHBondContact O-CG 3.49Å; Q315-T317 VanDerWaalsContact C-N 3.33Å
316K40.4Very low40.4Very low190 Ų190132.6 Ų132.683%0.82666%0.655SS**SBendtrans-92.419.9174.5-161.6162.8178175.10113.8
317T37.9Very low40.7Very low109 Ų109130 Ų13067%0.66965%0.646SS**SBendtrans-126.82.2173.556.70000115Q315Q315-T317 VanDerWaalsContact C-N 3.33Å
318D38.6Very low41.4Very low125 Ų125131.3 Ų131.367%0.66864%0.643SS**  trans-99.619.8180-84.7-14.8000114
319I40.4Very low42.3Very low150 Ų150128.5 Ų128.577%0.76964%0.64SS**SBendtrans-104.1102.4169.6-64.4161.5000108.2
320D40.6Very low42.7Very low84 Ų84125.4 Ų125.445%0.44963%0.625SS.*  trans71.249.2152.9-129.31.3000118.1D322 K323D320-D322 PolarHBondContact O-N 3.04Å; D320-K323 WeakPolarHBondContact OD1-CB 3.48Å; D320-K323 WeakPolarHBondContact OD1-CD 3.37Å; D320-K323 VanDerWaalsContact OD1-CG 3.28Å; D320-K323 WeakPolarHBondContact OD1-CG 3.31Å; D320-K323 WeakPolarHBondContact OD2-CD 3.46Å; D320-K323 IonicContact OD2-NZ 3.59Å
321W40.6Very low43.5Very low204 Ų204123.4 Ų123.477%0.77362%0.617SS**THydrogen-bonded Turntrans-70-9.4166-111.587.4000113.9H325W321-H325 AromaticContact CE3-CE1 3.82Å; W321-H325 AromaticContact CZ3-CE1 3.4Å; W321-H325 VanDerWaalsContact CZ3-CE1 3.4Å; W321-H325 WeakPolarHBondContact CZ3-CE1 3.29Å
322D41.9Very low44.3Very low141 Ų141121 Ų12175%0.75461%0.612SS**THydrogen-bonded Turntrans-105.76.2-174.8-131.24.5000114.4D320D320-D322 PolarHBondContact O-N 3.04Å
323K46.3Very low45.1Very low148 Ų148122.3 Ų122.364%0.64362%0.615SS**SBendtrans-116.8-2.2172.4-73.5-171.9-165.61570115.4D320D320-K323 WeakPolarHBondContact OD1-CB 3.48Å; D320-K323 WeakPolarHBondContact OD1-CD 3.37Å; D320-K323 VanDerWaalsContact OD1-CG 3.28Å; D320-K323 WeakPolarHBondContact OD1-CG 3.31Å; D320-K323 WeakPolarHBondContact OD2-CD 3.46Å; D320-K323 IonicContact OD2-NZ 3.59Å
324S41.1Very low46.1Very low80 Ų80121 Ų12156%0.55960%0.602SS**SBendtrans-88.9-27177.1-161.60000113.3N326 N327S324-N326 VanDerWaalsContact C-N 3.3Å; S324-N326 PolarHBondContact O-N 3.49Å; S324-N327 PolarHBondContact O-N 2.88Å
325H44.7Very low46.9Very low100 Ų100118.5 Ų118.546%0.46359%0.589SS.*Hα-helixtrans-76.8-10.4-179.2-77.773.3000114.7W321W321-H325 AromaticContact CE3-CE1 3.82Å; W321-H325 AromaticContact CZ3-CE1 3.4Å; W321-H325 VanDerWaalsContact CZ3-CE1 3.4Å; W321-H325 WeakPolarHBondContact CZ3-CE1 3.29Å
326N44.5Very low47.5Very low119 Ų119119 Ų11964%0.63659%0.591SS**Hα-helixtrans-94.6-10.8175.9-70.8-46.3000113.5S324S324-N326 VanDerWaalsContact C-N 3.3Å; S324-N326 PolarHBondContact O-N 3.49Å
327N50.3Low48.2Very low99 Ų99113.4 Ų113.453%0.52958%0.575SS.*Hα-helixtrans-92.5-19.2174.1-128.7-4.4000111.9S324 D330 I331S324-N327 PolarHBondContact O-N 2.88Å; N327-D330 PolarHBondContact O-N 3.38Å; N327-I331 WeakPolarHBondContact O-CB 3.33Å; N327-I331 WeakPolarHBondContact O-CD1 3.46Å; N327-I331 WeakPolarHBondContact O-CG1 3.27Å; N327-I331 PolarHBondContact O-N 2.85Å
328E47.6Very low49.1Very low114 Ų114111.9 Ų111.953%0.53357%0.566SS.*Hα-helixtrans-75.5-30.3178.6-158.7160.8-164.100112.2Q332E328-Q332 WeakPolarHBondContact O-CB 3.15Å; E328-Q332 WeakPolarHBondContact O-CG 3.18Å; E328-Q332 PolarHBondContact O-N 3.03Å
329L53Low49.8Very low116 Ų116112.7 Ų112.761%0.60756%0.564SS**Hα-helixtrans-72-32169.6-72.6170.4000112.7L333L329-L333 WeakPolarHBondContact O-CB 3.45Å; L329-L333 WeakPolarHBondContact O-CG 3.27Å; L329-L333 PolarHBondContact O-N 3.39Å
330D53.8Low50.4Low67 Ų67108.9 Ų108.936%0.35855%0.55SS..Hα-helixtrans-77.4-29.7178-155.650.9000112.3N327 K334N327-D330 PolarHBondContact O-N 3.38Å; D330-K334 WeakPolarHBondContact O-CB 3.29Å; D330-K334 WeakPolarHBondContact O-CG 3.36Å; D330-K334 PolarHBondContact O-N 2.92Å; D330-K334 VanDerWaalsContact O-N 3.1Å; D330-K334 IonicContact OD2-NZ 2.77Å; D330-K334 PolarHBondContact OD2-NZ 2.81Å
331I56.1Low51.1Low95 Ų95109 Ų10949%0.48755%0.554SS.*Hα-helixtrans-73.8-38.6172.4-67.9165000111N327 K334 L335N327-I331 WeakPolarHBondContact O-CB 3.33Å; N327-I331 WeakPolarHBondContact O-CD1 3.46Å; N327-I331 WeakPolarHBondContact O-CG1 3.27Å; N327-I331 PolarHBondContact O-N 2.85Å; I331-K334 PolarHBondContact O-N 2.93Å; I331-L335 HydrophobicContact CG2-CD1 3.82Å; I331-L335 WeakPolarHBondContact O-CB 3.18Å; I331-L335 PolarHBondContact O-N 3.18Å
332Q54.4Low51.6Low97 Ų97104.9 Ų104.945%0.45355%0.546SS..Hα-helixtrans-67.7-37.9174.2-69-75.96.500111.8E328 L335 H336E328-Q332 WeakPolarHBondContact O-CB 3.15Å; E328-Q332 WeakPolarHBondContact O-CG 3.18Å; E328-Q332 PolarHBondContact O-N 3.03Å; Q332-L335 PolarHBondContact O-N 2.94Å; Q332-H336 WeakPolarHBondContact O-CB 3.25Å; Q332-H336 PolarHBondContact O-CD2 3.15Å; Q332-H336 PolarHBondContact O-N 3.4Å
333L58Low52.1Low123 Ų123104.7 Ų104.764%0.64455%0.545SS*.Hα-helixtrans-67.6-34.6174-78.9163.9000113L329 S337L329-L333 WeakPolarHBondContact O-CB 3.45Å; L329-L333 WeakPolarHBondContact O-CG 3.27Å; L329-L333 PolarHBondContact O-N 3.39Å; L333-S337 WeakPolarHBondContact O-CB 3.34Å; L333-S337 PolarHBondContact O-N 3.25Å; L333-S337 VanDerWaalsContact O-N 3.16Å
334K59.7Low52.4Low128 Ų128105.9 Ų105.956%0.55755%0.553SS**Hα-helixtrans-73.4-32.5173.3-80.7165.9-179.9147.30113.5D330 I331 T338D330-K334 WeakPolarHBondContact O-CB 3.29Å; D330-K334 WeakPolarHBondContact O-CG 3.36Å; D330-K334 PolarHBondContact O-N 2.92Å; D330-K334 VanDerWaalsContact O-N 3.1Å; D330-K334 IonicContact OD2-NZ 2.77Å; D330-K334 PolarHBondContact OD2-NZ 2.81Å; I331-K334 PolarHBondContact O-N 2.93Å; K334-T338 WeakPolarHBondContact O-CG2 3.16Å; K334-T338 PolarHBondContact O-N 3.28Å; K334-T338 VanDerWaalsContact O-N 3.17Å; K334-T338 PolarHBondContact O-OG1 2.92Å
335L55.5Low53.1Low81 Ų81106.4 Ų106.442%0.42456%0.556SS.*Hα-helixtrans-73.6-31.1175-84.4158.8000113I331 Q332 T338 K339I331-L335 HydrophobicContact CG2-CD1 3.82Å; I331-L335 WeakPolarHBondContact O-CB 3.18Å; I331-L335 PolarHBondContact O-N 3.18Å; Q332-L335 PolarHBondContact O-N 2.94Å; L335-T338 WeakPolarHBondContact CA-OG1 3.5Å; L335-T338 PolarHBondContact O-OG1 3.16Å; L335-K339 WeakPolarHBondContact O-CG 3.26Å; L335-K339 PolarHBondContact O-N 2.75Å
336H52.9Low53.3Low130 Ų130108.7 Ų108.760%0.60257%0.571SS**Hα-helixtrans-78.7-29.9174.9-79.5-112000112.9Q332 S340Q332-H336 WeakPolarHBondContact O-CB 3.25Å; Q332-H336 PolarHBondContact O-CD2 3.15Å; Q332-H336 PolarHBondContact O-N 3.4Å; H336-S340 PolarHBondContact O-N 3.36Å
337S55.1Low53.7Low72 Ų72110.2 Ų110.250%0.50358%0.579SS.*Hα-helixtrans-74.8-30.2174.2-168.40000113.4L333 S340 T341L333-S337 WeakPolarHBondContact O-CB 3.34Å; L333-S337 PolarHBondContact O-N 3.25Å; L333-S337 VanDerWaalsContact O-N 3.16Å; S337-S340 PolarHBondContact O-OG 3.03Å; S337-S340 VanDerWaalsContact O-OG 3.06Å; S337-T341 PolarHBondContact O-N 3.41Å; S337-T341 PolarHBondContact O-OG1 3.01Å
338T55.7Low53.9Low76 Ų76113.7 Ų113.747%0.46659%0.592SS.*Hα-helixtrans-81-24.7176.547.60000113.2K334 L335 I342K334-T338 WeakPolarHBondContact O-CG2 3.16Å; K334-T338 PolarHBondContact O-N 3.28Å; K334-T338 VanDerWaalsContact O-N 3.17Å; K334-T338 PolarHBondContact O-OG1 2.92Å; L335-T338 WeakPolarHBondContact CA-OG1 3.5Å; L335-T338 PolarHBondContact O-OG1 3.16Å; T338-I342 WeakPolarHBondContact O-CG1 3.47Å
339K54.7Low54Low143 Ų143117.1 Ų117.162%0.62262%0.624SS**Hα-helixtrans-78.8-20.3171.8-76.6-180177.9178.40114.2L335 N343L335-K339 WeakPolarHBondContact O-CG 3.26Å; L335-K339 PolarHBondContact O-N 2.75Å; K339-N343 PolarHBondContact O-ND2 3.01Å
340S52.7Low54Low69 Ų69117.2 Ų117.248%0.48363%0.625SS.*Hα-helixtrans-83.6-24.8172.265.40000113.2H336 S337H336-S340 PolarHBondContact O-N 3.36Å; S337-S340 PolarHBondContact O-OG 3.03Å; S337-S340 VanDerWaalsContact O-OG 3.06Å
341T53.8Low54.1Low88 Ų88119.8 Ų119.854%0.5464%0.639SS.*Hα-helixtrans-80.4-27.5179.4-54.40000112.7S337 S345S337-T341 PolarHBondContact O-N 3.41Å; S337-T341 PolarHBondContact O-OG1 3.01Å; T341-S345 PolarHBondContact O-OG 3.09Å
342I52.7Low53.9Low117 Ų117121.2 Ų121.260%0.665%0.648SS**G310 helixtrans-82.8-18.2-179.9-66.9170.2000112.5T338T338-I342 WeakPolarHBondContact O-CG1 3.47Å
343N51.3Low53.9Low136 Ų136122.6 Ų122.673%0.72766%0.659SS**G310 helixtrans-94.69.9175.7-68.4-33.2000113.8K339K339-N343 PolarHBondContact O-ND2 3.01Å
344Q54Low53.7Low174 Ų174122.6 Ų122.681%0.81366%0.66SS**G310 helixtrans-1127.3175.4-97179.2-3.700113.5
345S54Low53.3Low91 Ų91122.2 Ų122.264%0.63667%0.667SS**SBendtrans-121.912.7-177.421.90000114.2T341T341-S345 PolarHBondContact O-OG 3.09Å
346L50.4Low53.1Low147 Ų147125.1 Ų125.177%0.7768%0.684SS**SBendtrans-126.177.9165.7-88.794.5000108.8
347D51.7Low53.1Low151 Ų151124.8 Ų124.881%0.80769%0.691SS**  trans177.1145.9154.2-95.5-23.4000107.5
348Q55.2Low52.9Low173 Ų173129.2 Ų129.281%0.80871%0.706SS**  trans104.5129.2-179.4-56.1-71.3-65.600114.2
349P49.1Very low52.7Low185 Ų185134 Ų134100%1.20173%0.728SS**  cis-83.6013.332.9-34.5000115.7

Retrieved 349 of 349 residues in 69.5 ms (Link to these results)