A0A077YWF7_TRITR Loading...

Myoblast determination protein 1 homolog

AlphaFold DB , UniProt , Accession A0A077YWF7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 428 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.4Very low46.6Very low240 Ų240149.9 Ų149.9100%1.18284%0.842SS**  0112.60-71.7176.6170.900106.5
2N41.4Very low47Very low151 Ų151149.8 Ų149.881%0.80783%0.829SS**  trans39104.1162.2-51.2-15.4000116.4
3S44.3Very low47.7Very low106 Ų106148.2 Ų148.274%0.74182%0.817SS**  49.1136.960.6-53.40000113.6
4D52.7Low47.8Very low145 Ų145153.6 Ų153.678%0.77582%0.821SS**  trans94.4128.3175.6-53.9-32.8000114.4
5M50.4Low47.4Very low157 Ų157148.8 Ų148.877%0.77382%0.823SS**  cis-161.8124.44.4-99.8-92.8-179.500103.8
6A51.9Low46.6Very low96 Ų96153.3 Ų153.379%0.79383%0.825SS**  44.3107.8101.500000113.2
7G58.6Low46.1Very low76 Ų76150.8 Ų150.878%0.78482%0.822SS**  trans178.4-16.8172.900000118.2
8C42.4Very low46.5Very low142 Ų142148.5 Ų148.596%0.95982%0.816SS**  trans-114.877.7-178.3-600000111.1
9Q48Very low46.1Very low192 Ų192147.3 Ų147.390%0.89781%0.809SS**  trans-83.2125.2165.1-162.6171.3-11.100108.3
10Y35.6Very low46Very low204 Ų204148.9 Ų148.980%0.881%0.812SS**  trans-65.3124.4-177.5-152.1-98.2000110.1Q12Y10-Q12 HydrophobicContact CD1-CB 4.5Å; Y10-Q12 HydrophobicContact CD1-CG 4.22Å; Y10-Q12 HydrophobicContact CE1-CG 4.03Å
11D45.1Very low45.8Very low140 Ų140147.9 Ų147.975%0.74981%0.806SS**  trans-115.9128.1166.4-150.3-31.7000109.3I13D11-I13 PolarHBondContact O-N 3.17Å
12Q51.7Low45.8Very low148 Ų148144.7 Ų144.769%0.69279%0.788SS**  trans-97.917.2-147.6-149169.156.700113.9Y10Y10-Q12 HydrophobicContact CD1-CB 4.5Å; Y10-Q12 HydrophobicContact CD1-CG 4.22Å; Y10-Q12 HydrophobicContact CE1-CG 4.03Å
13I56.3Low45.7Very low129 Ų129142.5 Ų142.566%0.66279%0.785SS**SBendtrans-124.2-23.3-162.1-29.1-174.2000115.8D11D11-I13 PolarHBondContact O-N 3.17Å
14Y49.1Very low45.6Very low224 Ų224143.5 Ų143.588%0.87879%0.792SS**  trans-147.6126.4-179.9-81.5-85000113.9
15G41.5Very low44.9Very low82 Ų82148 Ų14885%0.84580%0.798SS**  trans-71.3133.6178.100000113.7
16Y34.9Very low44.4Very low221 Ų221149 Ų14987%0.86781%0.805SS**  trans-11124.6171.3-106.3-104.1000119.8
17S37.3Very low43.8Very low111 Ų111149.5 Ų149.578%0.77680%0.803SS**  trans-123.6120.2145.9-163.50000107.5N19S17-N19 PolarHBondContact O-N 3.27Å
18P52.7Low43Very low109 Ų109153 Ų15371%0.70881%0.81SS**  trans-78.3104.7177.429.7-29.1000109.2
19N39Very low42.8Very low126 Ų126151.5 Ų151.567%0.67480%0.801SS**  trans-91.1107.8161.3-172.5-16.5000107.6S17 N21S17-N19 PolarHBondContact O-N 3.27Å; N19-N21 PolarHBondContact OD1-N 3.05Å
20M45.3Very low42.5Very low179 Ų179147.1 Ų147.188%0.88279%0.791SS**  trans-11493.7162.4-84.7-69.9129.900108.2
21N42.1Very low42.7Very low127 Ų127145.9 Ų145.968%0.67979%0.793SS**  trans-70.3124.7161.7-153.1-14.2000107.6N19N19-N21 PolarHBondContact OD1-N 3.05Å
22Q42.5Very low42.4Very low174 Ų174149.5 Ų149.581%0.81380%0.802SS**  trans169.6118.4135.4-9217291.700112.4
23S38.6Very low42.1Very low104 Ų104145.9 Ų145.973%0.72780%0.798SS**  trans68.694.2134.9-53.90000118.8
24S41.8Very low41.2Very low128 Ų128146.8 Ų146.890%0.89580%0.804SS**  trans-157.6118.7132.6-76.20000109.6
25R38.8Very low40.8Very low238 Ų238144.6 Ų144.690%0.89881%0.806SS**  trans-64.3144.5-175.3-64.3172.4166.4-171.7-5.5111.7
26L38.4Very low40.8Very low178 Ų178145.3 Ų145.393%0.93280%0.799SS**  -168103.5128.9-96154.6000107.6
27S39.6Very low40.8Very low108 Ų108143.8 Ų143.876%0.75580%0.799SS**  trans-81.1127.6177.7-46.80000110
28T42Very low40.9Very low149 Ų149143 Ų14391%0.91480%0.799SS**  trans-139.9117.2140.749.90000108.2
29S39.6Very low40.3Very low110 Ų110143.3 Ų143.377%0.76980%0.804SS**  trans-110.7141.4-169.340.50000110.3
30S41.5Very low40.3Very low100 Ų100142 Ų14270%0.69981%0.811SS**  trans-178.4104.2135.846.50000109
31E39Very low40.3Very low178 Ų178141.5 Ų141.583%0.83281%0.812SS**  86.4107.498.8-76.7175.3138.400113.4
32F39.9Very low40Very low217 Ų217142.4 Ų142.495%0.95282%0.815SS**  -152123.4124.3-119.6-82.5000109.5
33A44Very low40.1Very low72 Ų72143 Ų14360%0.59582%0.818SS**  trans-107.6164-168.200000112.2
34N38.8Very low39.9Very low148 Ų148142.2 Ų142.279%0.79182%0.818SS**  trans71.1117.6147.9-77.5-58.6000120.2
35L40.7Very low39.8Very low178 Ų178146.1 Ų146.193%0.93282%0.819SS**  -148.4102.2125.6-129.175.1000110.2
36S40.1Very low39.8Very low97 Ų97139.2 Ų139.268%0.67881%0.807SS**  trans17.6119.2140.9-177.10000118.5
37Q36.1Very low39.8Very low188 Ų188138.3 Ų138.388%0.87980%0.803SS**  74.6109.768.9-162.1175.449.300115.1
38A38.6Very low39.5Very low94 Ų94141.1 Ų141.178%0.77781%0.805SS**  trans166.1136.5151.100000106.5
39S40.8Very low39.4Very low117 Ų117139.3 Ų139.382%0.81880%0.795SS**  cis-169.113810.2250000106.1
40A38.1Very low39.2Very low99 Ų99138 Ų13882%0.81879%0.786SS**  trans-82.5136167.800000108.9
41N44.5Very low39.3Very low168 Ų168141.4 Ų141.490%0.89880%0.797SS**  trans-147.7133.5152.6-133.5-6.4000111.8
42I37.6Very low39.1Very low145 Ų145142.1 Ų142.174%0.74480%0.8SS**  trans-82.4146.2-174.1-70.1178.4000109.2
43Q43.1Very low38.9Very low187 Ų187141.3 Ų141.387%0.87479%0.792SS**  179.8130.8126.1-96172.76.600113.1
44A35.6Very low38.8Very low87 Ų87142.9 Ų142.972%0.71979%0.794SS**  trans-80.9147.1177.900000111.7
45F39.3Very low38.7Very low210 Ų210142.1 Ų142.192%0.92180%0.795SS**  trans-143.7121.9149-105.2-81.9000110.4
46S37.6Very low38.8Very low94 Ų94139.4 Ų139.466%0.65778%0.78SS**  trans-70.8137.5172.51630000111
47N39.5Very low39.3Very low159 Ų159138.8 Ų138.885%0.8577%0.772SS**  -174.3116.2124.1-92-25.2000111.2
48Q33Very low39.8Very low167 Ų167135.8 Ų135.878%0.7877%0.769SS**  trans-83.2166.6165.6-113.6-139.714.100109.2
49P39.5Very low39.9Very low111 Ų111136.3 Ų136.372%0.72176%0.759SS**  -153.3156.36839.7-17.7000118.9
50S35.8Very low40.2Very low83 Ų83140 Ų14058%0.5876%0.763SS**  trans41.2107.4143.165.30000120
51N42.8Very low40.6Very low171 Ų171143.2 Ų143.291%0.91476%0.755SS**  trans-131.3117.5140.9-77.3-35.6000108.2
52E34.8Very low40.5Very low192 Ų192140.2 Ų140.290%0.89774%0.739SS**  trans-70.5127.5174.3-64.4164.413000110.1
53Y36.2Very low40.6Very low201 Ų201137.8 Ų137.879%0.78874%0.74SS**  trans-155.5119140-158.6-99.7000111.2
54T41.9Very low40.9Very low104 Ų104134.8 Ų134.864%0.63874%0.735SS**  trans-32.7124.8173.2-53.30000116I56T54-I56 HydrophobicContact CG2-CG1 4.07Å; T54-I56 PolarHBondContact O-N 3.23Å
55T37.1Very low41.6Very low132 Ų132135.5 Ų135.581%0.8173%0.731SS**  trans-66.6104.6158.8-54.40000108.9
56I42Very low42Very low122 Ų122133.1 Ų133.163%0.62673%0.727SS**  trans-87.4109.1168.2-59.9175000106.9T54T54-I56 HydrophobicContact CG2-CG1 4.07Å; T54-I56 PolarHBondContact O-N 3.23Å
57T50.8Low42.5Very low83 Ų83138.9 Ų138.951%0.50974%0.736SS.*  trans-57.9132.616546.50000109.5N59T57-N59 PolarHBondContact O-N 3.29Å
58P47.3Very low42.8Very low126 Ų126140.4 Ų140.482%0.81874%0.737SS**  trans-70.8109.5179.917.6-14.2000109.8H60P58-H60 PolarHBondContact O-N 2.95Å
59N40.9Very low43.4Very low104 Ų104143.8 Ų143.856%0.55674%0.743SS**  trans-60.8121168-87.6-35.5000109.5T57 Y61T57-N59 PolarHBondContact O-N 3.29Å; N59-Y61 HydrophobicContact CB-CD1 4.18Å; N59-Y61 HydrophobicContact CB-CE1 3.67Å; N59-Y61 HydrophobicContact CB-CE2 4.25Å; N59-Y61 PolarHBondContact ND2-OH 3.31Å; N59-Y61 PolarHBondContact O-N 3.38Å
60H46.3Very low43.6Very low194 Ų194149.1 Ų149.190%0.89875%0.75SS**THydrogen-bonded Turntrans-7868.1178.5-159.272000109.9P58P58-H60 PolarHBondContact O-N 2.95Å
61Y46.3Very low44.4Very low167 Ų167150.4 Ų150.466%0.65576%0.756SS**THydrogen-bonded Turntrans-162.49.2168.746.7-96.7000116.4N59N59-Y61 HydrophobicContact CB-CD1 4.18Å; N59-Y61 HydrophobicContact CB-CE1 3.67Å; N59-Y61 HydrophobicContact CB-CE2 4.25Å; N59-Y61 PolarHBondContact ND2-OH 3.31Å; N59-Y61 PolarHBondContact O-N 3.38Å
62D43.1Very low44.4Very low106 Ų106153.1 Ų153.157%0.56776%0.755SS**  trans-125.827.1-177.3-111.3-44.4000115.6T64D62-T64 PolarHBondContact O-N 3.45Å
63A40.4Very low44.8Very low93 Ų93154.5 Ų154.577%0.76975%0.754SS**THydrogen-bonded Turntrans-78.62.3176.600000114.3
64T48.6Very low45.4Very low124 Ų124152.2 Ų152.276%0.76175%0.75SS**THydrogen-bonded Turntrans-101.60.8-170.433.30000115.9D62D62-T64 PolarHBondContact O-N 3.45Å
65T51.4Low45.6Very low102 Ų102151.8 Ų151.863%0.62675%0.749SS**SBendtrans-117.4-1.6-172.556.30000115.7
66L46.5Very low45.9Very low161 Ų161155.4 Ų155.484%0.84375%0.749SS**SBendtrans-103.111.3-175.6-108.3157.8000116
67Y48.4Very low45.9Very low214 Ų214155 Ų15584%0.83976%0.757SS**  trans-89.33.8-178.8-98.4-83.6000116.2
68H45.9Very low45.8Very low192 Ų192158.4 Ų158.489%0.88978%0.778SS**  trans-100.227.8-169.8-95.3-59.4000117.2
69R45.7Very low46.3Very low238 Ų238154.8 Ų154.890%0.89876%0.764SS**  trans-12868.5175.1-153.1173.7-172.9140.9-0.3112.8
70Y43.8Very low46.8Very low223 Ų223155.6 Ų155.688%0.87578%0.775SS**SBendtrans-126.3148157.9-101.4-93.8000109.8
71P53Low47.3Very low109 Ų109152.4 Ų152.471%0.70877%0.772SS**PPolyproline II helixtrans-68139.1-161.3-9.223.2000112.6Y73P71-Y73 PolarHBondContact O-N 3.35Å
72Y42Very low47.7Very low228 Ų228150.1 Ų150.189%0.89478%0.775SS**PPolyproline II helixtrans-46.9116.6172.1-129.5-103.4000111.6
73Y43.9Very low47.9Very low222 Ų222154.8 Ų154.887%0.87179%0.791SS**PPolyproline II helixtrans-80.5124.9163.7-103.7-92.4000109.3P71P71-Y73 PolarHBondContact O-N 3.35Å
74H48.1Very low48.5Very low152 Ų152160.1 Ų160.170%0.70479%0.792SS**PPolyproline II helixtrans-66.5130.3-178.2-141-66.3000111Y76H74-Y76 VanDerWaalsContact C-N 3.3Å; H74-Y76 PolarHBondContact O-N 3.22Å
75P46.5Very low48.9Very low95 Ų95159.2 Ų159.262%0.61779%0.788SS**SBendtrans-9054.5-17437.2-35.5000111.8
76Y44Very low48.6Very low208 Ų208159.4 Ų159.482%0.81679%0.786SS**  trans-153.763.3170.1-60.8-71.7000110.8H74H74-Y76 VanDerWaalsContact C-N 3.3Å; H74-Y76 PolarHBondContact O-N 3.22Å
77S41.3Very low48.9Very low113 Ų113159.1 Ų159.179%0.7978%0.784SS**  trans-130.8104.6168.9-163.80000109.9G79S77-G79 VanDerWaalsContact C-N 3.32Å; S77-G79 PolarHBondContact O-N 3.41Å
78T48.4Very low49.2Very low155 Ų155151.6 Ų151.695%0.95177%0.766SS**  trans-74.583.817351.10000108.8
79G58.8Low49.2Very low50 Ų50146.9 Ų146.952%0.51576%0.755SS.*  trans-136.9144.1171.800000110S77S77-G79 VanDerWaalsContact C-N 3.32Å; S77-G79 PolarHBondContact O-N 3.41Å
80P50.9Low49.2Very low121 Ų121144.7 Ų144.779%0.78675%0.752SS**PPolyproline II helixtrans-62.5142.2-174.126-32.7000110.9T82P80-T82 PolarHBondContact O-N 3.41Å
81P55.5Low49.3Very low128 Ų128139 Ų13983%0.83174%0.741SS**PPolyproline II helixtrans-65.4126.3-172.927.2-32.6000109.8F83P81-F83 PolarHBondContact O-N 3.35Å
82T55.6Low48.8Very low119 Ų119139 Ų13973%0.7374%0.743SS**PPolyproline II helixtrans-67.1126.4171.246.50000108.6P80 Y84P80-T82 PolarHBondContact O-N 3.41Å; T82-Y84 VanDerWaalsContact C-N 3.26Å; T82-Y84 PolarHBondContact O-N 3.47Å
83F47.4Very low48.8Very low204 Ų204133.1 Ų133.190%0.89574%0.736SS**  trans-69.281.3177.9-171.1-93.6000109.4P81P81-F83 PolarHBondContact O-N 3.35Å
84Y52.1Low48.8Very low205 Ų205128.6 Ų128.680%0.80473%0.731SS**  trans-117.8120.2163.7-88.6-82.6000108.3T82 D86T82-Y84 VanDerWaalsContact C-N 3.26Å; T82-Y84 PolarHBondContact O-N 3.47Å; Y84-D86 PolarHBondContact O-N 2.95Å
85P58Low48.7Very low104 Ų104130.3 Ų130.368%0.67574%0.739SS**  trans-65.8128.2174.427-31.3000109.1L87P85-L87 PolarHBondContact O-N 3.32Å
86D44.1Very low48.6Very low107 Ų107133.4 Ų133.457%0.57275%0.751SS**  trans-56.3117.5173.1177.316.5000110.5Y84 A88 S89Y84-D86 PolarHBondContact O-N 2.95Å; D86-A88 PolarHBondContact O-N 3.44Å; D86-A88 VanDerWaalsContact O-N 3.16Å; D86-A88 VanDerWaalsContact OD1-CB 3.3Å; D86-A88 WeakPolarHBondContact OD1-CB 3.33Å; D86-A88 PolarHBondContact OD1-N 2.8Å; D86-S89 PolarHBondContact O-N 2.79Å
87L52.8Low48.4Very low154 Ų154130.3 Ų130.381%0.80675%0.748SS**G310 helixtrans-62.9-16.6177.1-83.794000112.4P85 S89 F90P85-L87 PolarHBondContact O-N 3.32Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 3.1Å; L87-F90 PolarHBondContact O-N 3.05Å
88A54.7Low48.4Very low56 Ų56128.6 Ų128.646%0.46375%0.748SS.*G310 helixtrans-69.6-26.4178.400000112.8D86 F90 T91D86-A88 PolarHBondContact O-N 3.44Å; D86-A88 VanDerWaalsContact O-N 3.16Å; D86-A88 VanDerWaalsContact OD1-CB 3.3Å; D86-A88 WeakPolarHBondContact OD1-CB 3.33Å; D86-A88 PolarHBondContact OD1-N 2.8Å; A88-F90 VanDerWaalsContact C-N 3.26Å; A88-F90 PolarHBondContact O-N 2.94Å; A88-T91 PolarHBondContact O-N 2.9Å; A88-T91 PolarHBondContact O-OG1 3Å
89S47.7Very low48.4Very low94 Ų94130 Ų13066%0.65774%0.744SS**G310 helixtrans-76.3-8.2-179.1-65.40000114.2D86 L87D86-S89 PolarHBondContact O-N 2.79Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 3.1Å
90F43.9Very low47.7Very low191 Ų191136.6 Ų136.684%0.83876%0.759SS**G310 helixtrans-91-4.5177.9-128.6-92.7000113.9L87 A88L87-F90 PolarHBondContact O-N 3.05Å; A88-F90 VanDerWaalsContact C-N 3.26Å; A88-F90 PolarHBondContact O-N 2.94Å
91T45.7Very low47.1Very low103 Ų103136.6 Ų136.663%0.63276%0.761SS**SBendtrans-95.9-3.9-173.164.10000114.5A88A88-T91 PolarHBondContact O-N 2.9Å; A88-T91 PolarHBondContact O-OG1 3Å
92S42.4Very low46.6Very low109 Ų109139.3 Ų139.376%0.76276%0.763SS**THydrogen-bonded Turntrans-93.810.8-172.5-460000116.1
93S42.4Very low46.2Very low105 Ų105140.5 Ų140.573%0.73477%0.765SS**THydrogen-bonded Turntrans-124.18.3178.8-156.30000114.9Q95S93-Q95 PolarHBondContact O-N 3.27Å
94V45Very low45.6Very low128 Ų128141 Ų14178%0.77676%0.762SS**THydrogen-bonded Turntrans-86.112-178.5-176.30000112.9
95Q46.4Very low45.3Very low188 Ų188136 Ų13688%0.87976%0.764SS**THydrogen-bonded Turntrans-109.811.5-177.7-70.9-172.5-2800115.8S93S93-Q95 PolarHBondContact O-N 3.27Å
96N43.7Very low44.6Very low159 Ų159135.5 Ų135.585%0.8577%0.768SS**SBendtrans-131.621.6-178.8-102-39000116.5
97N38.7Very low44.5Very low144 Ų144137.4 Ų137.477%0.7778%0.783SS**  trans-124.430.2-178.6-133.23.6000115Q99N97-Q99 VanDerWaalsContact C-N 3.31Å; N97-Q99 PolarHBondContact O-N 3.15Å
98G41.5Very low43.9Very low76 Ų76140 Ų14078%0.78479%0.791SS**THydrogen-bonded Turntrans-77.85.5-178.500000116.8
99Q48.6Very low42.9Very low186 Ų186140.4 Ų140.487%0.86980%0.801SS**THydrogen-bonded Turntrans-124.212.9-167.3-142.571.63900116.6N97N97-Q99 VanDerWaalsContact C-N 3.31Å; N97-Q99 PolarHBondContact O-N 3.15Å
100K43.6Very low42.6Very low188 Ų188144 Ų14482%0.81781%0.813SS**  trans-128.325.1-175.6-107.1-177.1179.3-175.30116.9
101S39.6Very low42.2Very low121 Ų121142.2 Ų142.285%0.84681%0.811SS**  trans-106.334.1-172.5-162.20000116
102Q45.5Very low42Very low184 Ų184144.8 Ų144.886%0.8682%0.82SS**  trans-124.2-0.9-178.3-76.8-170-2.600118.2
103D47.1Very low41.9Very low144 Ų144148 Ų14877%0.7782%0.823SS**SBendtrans-104.213.1-168.2-66-37.6000117.7
104Y34.3Very low41.8Very low216 Ų216148.6 Ų148.685%0.84783%0.827SS**SBendtrans-126.765176.6-63.8-81.4000112.8
105A45.5Very low41.1Very low100 Ų100150.4 Ų150.483%0.82683%0.833SS**  trans-155.358.7167.200000111.5
106A44.2Very low40.9Very low93 Ų93147.8 Ų147.877%0.76983%0.83SS**  trans-156.4149.4164.900000108.9
107V41.8Very low40.6Very low147 Ų147146.3 Ų146.389%0.89183%0.826SS**  trans86.561-178.8-158.80000114.6
108Q39Very low40.7Very low207 Ų207147.5 Ų147.597%0.96783%0.832SS**  trans-129.6114.3146.4-113.4-174.1400107.7
109G35.3Very low40.4Very low65 Ų65153.1 Ų153.167%0.6784%0.838SS**  trans131.278.6-17900000111.1
110N40.8Very low39.8Very low171 Ų171147.5 Ų147.591%0.91483%0.829SS**  trans-179.5146.2141.9-88.4-18.9000110.1
111L36.1Very low39.6Very low152 Ų152144.1 Ų144.180%0.79683%0.83SS**  trans87.768.7167-129.668000117.4
112L41.4Very low39.8Very low157 Ų157144.9 Ų144.982%0.82283%0.83SS**  -58.6157.1127.1-68.897.1000109.1
113E38.9Very low39.5Very low176 Ų176145.5 Ų145.582%0.82283%0.829SS**  trans85.689.8-176.9-71.4160.5117.500116
114S41.1Very low39.3Very low118 Ų118148.4 Ų148.483%0.82584%0.835SS**  trans-179.580.1131.9-74.60000109.3
115N30.8Very low39.3Very low167 Ų167142.3 Ų142.389%0.89383%0.829SS**  trans-130.591.3166.3-99.8-22.6000108.1
116T40.5Very low38.8Very low132 Ų132148.9 Ų148.981%0.8184%0.835SS**  trans-152.5126.3159.854.40000109.8
117T37.5Very low38.3Very low128 Ų128149.7 Ų149.779%0.78583%0.834SS**  trans81.298.6147.4-38.80000117.9
118L41.1Very low38.3Very low170 Ų170150.7 Ų150.789%0.8983%0.829SS**  -164101.6112.8-153.470.3000110.4
119E35.6Very low38.3Very low194 Ų194146.5 Ų146.591%0.90782%0.817SS**  trans-74151161.6-64.1-156.7119.400110.6
120G36.3Very low38.4Very low67 Ų67146.8 Ų146.869%0.69182%0.821SS**  trans146.8107.6153.400000116.3
121S39.1Very low38.1Very low118 Ų118146.7 Ų146.783%0.82581%0.814SS**  trans66.2121.3139.9-60.70000117.3
122T43.6Very low38.4Very low137 Ų137147.5 Ų147.584%0.8482%0.818SS**  -165.1135.350.745.10000111.9
123K40Very low38.4Very low197 Ų197147.2 Ų147.286%0.85781%0.812SS**  trans-73.5146.7162.9-63.8171.1176.8174.90110.8
124K42.1Very low38.2Very low204 Ų204142.7 Ų142.789%0.88780%0.804SS**  trans162.4103.1142.6-88.3161.8-172.3-172.10108.4
125A35.6Very low38Very low88 Ų88144.4 Ų144.473%0.72780%0.804SS**  79.9109.686.200000113.4
126Y34.2Very low38.5Very low239 Ų239144.4 Ų144.494%0.93780%0.804SS**  trans-160.2117132.7-112.4-81.6000109.7
127S33.3Very low39Very low109 Ų109149 Ų14976%0.76281%0.807SS**  trans-86.6140.71681660000108.6
128H42.6Very low39Very low168 Ų168154.6 Ų154.678%0.77881%0.814SS**  trans-173.3109.2136.6-161.7-99.7000112.9
129V39.2Very low39.8Very low119 Ų119153 Ų15372%0.72180%0.804SS**  trans68128.7135.5-178.90000122.5
130G36.3Very low40.7Very low72 Ų72152.4 Ų152.474%0.74280%0.799SS**  trans167.568.4156.400000113.5
131Q34.5Very low41.2Very low168 Ų168158 Ų15879%0.78581%0.807SS**  trans-74.5119.1-178.9-170.5174.97.700111.4
132I43.4Very low41.7Very low169 Ų169160.4 Ų160.487%0.86781%0.805SS**  trans-136.4132159.1-61.4-169.6000109.7
133H40.7Very low41.7Very low152 Ų152160 Ų16070%0.70480%0.803SS**  trans-76145.9-166.3-85.3-139.2000116
134A34.5Very low42.5Very low80 Ų80158 Ų15866%0.66180%0.8SS**  trans76.7133.1134.100000122.2
135N36.8Very low42.7Very low154 Ų154155.9 Ų155.982%0.82479%0.793SS**  trans88.978.5158.2-55.1-29.4000118
136D41.8Very low43Very low167 Ų167160.8 Ų160.889%0.89380%0.801SS**  -155.7140.2127.8-132.4-47.3000112.4R138D136-R138 PolarHBondContact O-N 3.04Å
137R50.5Low43.6Very low228 Ų228153.7 Ų153.786%0.8678%0.783SS**  trans-68.7128.7-170.5-77.1174.2168.2-179.3-3.9110.8I139R137-I139 PolarHBondContact O-N 3.28Å
138R37.3Very low43.8Very low247 Ų247156.6 Ų156.693%0.93278%0.784SS**  trans-39.491.5168.1-167.2179-143.9-148.72.8112.9D136D136-R138 PolarHBondContact O-N 3.04Å
139I59Low43.7Very low135 Ų135154.7 Ų154.769%0.69278%0.775SS**  trans-80.7118.8157.8-63175.2000105.3R137 E141R137-I139 PolarHBondContact O-N 3.28Å; I139-E141 PolarHBondContact O-N 3.13Å
140K54Low43.7Very low183 Ų183154.7 Ų154.780%0.79678%0.777SS**  trans-44.4111.6174.7-122.2170.1174.8-179.30109.3E142K140-E142 PolarHBondContact O-N 3.07Å
141E46Very low44.3Very low185 Ų185159.9 Ų159.986%0.86478%0.779SS**  trans-65.898.4165.9-85.2173.7139.300107.2I139 T143I139-E141 PolarHBondContact O-N 3.13Å; E141-T143 PolarHBondContact O-N 3.23Å
142E50.7Low44.5Very low167 Ų167159.1 Ų159.178%0.7878%0.776SS**  trans-77107.1157.8-69.6-178.9168.900106.3K140 I144K140-E142 PolarHBondContact O-N 3.07Å; E142-I144 VanDerWaalsContact C-N 3.34Å; E142-I144 PolarHBondContact O-N 3.02Å
143T42.5Very low44.9Very low129 Ų129156.6 Ų156.679%0.79177%0.77SS**  trans-54.295168.8-55.40000108.7E141 E145E141-T143 PolarHBondContact O-N 3.23Å; T143-E145 PolarHBondContact O-N 2.94Å
144I57.8Low45.1Very low155 Ų155156.5 Ų156.580%0.79577%0.774SS**  trans-80.7104.1164.6-60.7174.5000105.1E142 E146E142-I144 VanDerWaalsContact C-N 3.34Å; E142-I144 PolarHBondContact O-N 3.02Å; I144-E146 PolarHBondContact O-N 3.31Å
145E46Very low45.4Very low159 Ų159157.2 Ų157.274%0.74377%0.774SS**  trans-46.2124.2171.3-75.5-174142.300110.2T143 V147T143-E145 PolarHBondContact O-N 2.94Å; E145-V147 HydrophobicContact CB-CG2 4.47Å; E145-V147 PolarHBondContact O-N 2.8Å
146E41.3Very low45.8Very low191 Ų191157.8 Ų157.889%0.89378%0.775SS**  trans-72.776.9176.8-164.1176.7-164.300108.4I144 H148I144-E146 PolarHBondContact O-N 3.31Å; E146-H148 PolarHBondContact O-N 3.43Å
147V47Very low45.9Very low91 Ų91153.3 Ų153.355%0.55276%0.761SS**  trans-73.9101.6171.9-1640000108E145 H149E145-V147 HydrophobicContact CB-CG2 4.47Å; E145-V147 PolarHBondContact O-N 2.8Å; V147-H149 VanDerWaalsContact C-N 3.33Å; V147-H149 VanDerWaalsContact CB-CE1 3.44Å; V147-H149 WeakPolarHBondContact CB-CE1 3.41Å; V147-H149 WeakPolarHBondContact CG1-CE1 3.31Å; V147-H149 WeakPolarHBondContact CG1-ND1 3.14Å; V147-H149 PolarHBondContact O-N 3.43Å
148H37.8Very low45.9Very low170 Ų170151 Ų15179%0.78776%0.76SS**  trans-61.990172.7-164.980.8000109.6E146E146-H148 PolarHBondContact O-N 3.43Å
149H41.4Very low46.3Very low128 Ų128145 Ų14559%0.59375%0.753SS**  trans-91.6117.8168-48.8-45.3000108.8V147 K151V147-H149 VanDerWaalsContact C-N 3.33Å; V147-H149 VanDerWaalsContact CB-CE1 3.44Å; V147-H149 WeakPolarHBondContact CB-CE1 3.41Å; V147-H149 WeakPolarHBondContact CG1-CE1 3.31Å; V147-H149 WeakPolarHBondContact CG1-ND1 3.14Å; V147-H149 PolarHBondContact O-N 3.43Å; H149-K151 VanDerWaalsContact C-N 3.32Å; H149-K151 HydrophobicContact CB-CG 4.46Å; H149-K151 PolarHBondContact O-N 2.94Å
150P39.2Very low46.3Very low119 Ų119145.2 Ų145.277%0.77375%0.751SS**  trans-76.293.2165.331.8-26.8000106.1
151K47.3Very low46.7Very low180 Ų180144.5 Ų144.578%0.78375%0.751SS**  trans-120.8112171-79.2-175.9177.3178.30109.2H149H149-K151 VanDerWaalsContact C-N 3.32Å; H149-K151 HydrophobicContact CB-CG 4.46Å; H149-K151 PolarHBondContact O-N 2.94Å
152E38.8Very low47.8Very low152 Ų152144.2 Ų144.271%0.7175%0.749SS**  trans-47126.6177.1-56.4-174.3153.500111.7I154E152-I154 PolarHBondContact O-N 3.37Å
153P52.1Low48.9Very low116 Ų116138.8 Ų138.875%0.75373%0.725SS**  trans-84.5104.4161.330.5-26000108.2S155P153-S155 PolarHBondContact O-N 3.1Å
154I46.3Very low50.5Low151 Ų151137.5 Ų137.577%0.77472%0.719SS**  trans-61.592.7158.5-62.8167.1000106.3E152 I156E152-I154 PolarHBondContact O-N 3.37Å; I154-I156 HydrophobicContact CG2-CG1 4.38Å
155S40.6Very low51.7Low94 Ų94134.4 Ų134.466%0.65770%0.701SS**  trans-109.597172.8175.70000107.6P153 A157P153-S155 PolarHBondContact O-N 3.1Å; S155-A157 PolarHBondContact O-N 3.44Å; S155-A157 VanDerWaalsContact O-N 3.09Å
156I44.9Very low53.5Low167 Ų167130 Ų13086%0.85668%0.684SS**  trans-70.992.8166.2-57.3168.2000106.6I154I154-I156 HydrophobicContact CG2-CG1 4.38Å
157A42.9Very low55.4Low73 Ų73124.5 Ų124.560%0.60366%0.661SS**SBendtrans-177.5114.4160.600000111.1S155S155-A157 PolarHBondContact O-N 3.44Å; S155-A157 VanDerWaalsContact O-N 3.09Å
158E51.5Low56.8Low180 Ų180121.5 Ų121.584%0.84165%0.645SS**  trans62.4143.2164.6-69.9-142.8130.500119.3E160E158-E160 VanDerWaalsContact C-N 3.34Å; E158-E160 PolarHBondContact O-N 2.94Å
159P45.9Very low58.5Low120 Ų120118.2 Ų118.278%0.77964%0.639SS**  trans-64.398.6171.828.8-32.4000108.2E161P159-E161 VanDerWaalsContact C-N 3.29Å; P159-E161 PolarHBondContact O-N 3.18Å
160E58.9Low59.8Low139 Ų139115.6 Ų115.665%0.6564%0.635SS**  trans-65.892.3175.2-159.6155.6-146.700107.3E158 H162 K189E158-E160 VanDerWaalsContact C-N 3.34Å; E158-E160 PolarHBondContact O-N 2.94Å; E160-H162 PolarHBondContact O-N 3.13Å; E160-K189 IonicContact OE1-NZ 2.7Å; E160-K189 PolarHBondContact OE1-NZ 2.91Å
161E61.4Low61.2Low169 Ų169115.8 Ų115.879%0.7964%0.635SS**  trans-44127.3167-75.1-178.2161.400107.7P159 I163P159-E161 VanDerWaalsContact C-N 3.29Å; P159-E161 PolarHBondContact O-N 3.18Å; E161-I163 VanDerWaalsContact C-N 3.28Å; E161-I163 WeakPolarHBondContact O-CG1 3.48Å; E161-I163 PolarHBondContact O-N 3.07Å
162H68.5Low61.9Low178 Ų178112.6 Ų112.682%0.82463%0.626SS**  trans-65.186.9-172.5-15985.7000109.8E160 P164E160-H162 PolarHBondContact O-N 3.13Å; H162-P164 VanDerWaalsContact O-CD 3.32Å; H162-P164 WeakPolarHBondContact O-CD 3.35Å
163I73.8Confident63.1Low54 Ų54109 Ų10928%0.27763%0.63SS.*PPolyproline II helixtrans-65.6116.9-176.5-63.2173000107.7E161 H165 K185 A186E161-I163 VanDerWaalsContact C-N 3.28Å; E161-I163 WeakPolarHBondContact O-CG1 3.48Å; E161-I163 PolarHBondContact O-N 3.07Å; I163-H165 PolarHBondContact O-N 2.91Å; I163-K185 HydrophobicContact CD1-CD 4.25Å; I163-K185 HydrophobicContact CD1-CG 4.36Å; I163-K185 HydrophobicContact CG2-CB 3.91Å; I163-K185 HydrophobicContact CG2-CD 4.47Å; I163-K185 HydrophobicContact CG2-CG 4.43Å; I163-A186 HydrophobicContact CB-CB 4.35Å; I163-A186 HydrophobicContact CG2-CB 4.37Å
164P77.4Confident63.5Low102 Ų102112 Ų11266%0.66263%0.633SS**PPolyproline II helixtrans-63.6137.5-176.624.7-32.9000110.7H162H162-P164 VanDerWaalsContact O-CD 3.32Å; H162-P164 WeakPolarHBondContact O-CD 3.35Å
165H83Confident64.4Low90 Ų90111.6 Ų111.642%0.41763%0.628SS.*PPolyproline II helixtrans-71.4130.7174.4-73-91.6000110.3I163 L167 C179 C184 C187I163-H165 PolarHBondContact O-N 2.91Å; H165-L167 HydrophobicContact CB-CD2 4.11Å; H165-L167 PolarHBondContact O-N 3.07Å; H165-C179 VanDerWaalsContact CB-SG 3.54Å; H165-C179 VanDerWaalsContact CG-SG 3.58Å; H165-C179 PolarHBondContact ND1-SG 3.11Å; H165-C184 PolarHBondContact ND1-SG 3.41Å; H165-C187 VanDerWaalsContact CE1-SG 3.51Å; H165-C187 PolarHBondContact ND1-SG 3.48Å
166V83.4Confident65.8Low65 Ų65112.3 Ų112.339%0.39463%0.63SS.*  trans-82.6108.8172.1-175.60000108C179 L180 A183 C184V166-C179 CarbonylContact O-C 3.56Å; V166-C179 WeakPolarHBondContact O-CA 3.28Å; V166-L180 HydrophobicContact CG1-CD1 4.14Å; V166-L180 PolarHBondContact O-N 3.36Å; V166-A183 HydrophobicContact CB-CB 4.01Å; V166-A183 HydrophobicContact CG1-CB 3.82Å; V166-A183 HydrophobicContact CG2-CB 4.29Å; V166-A183 WeakPolarHBondContact CG2-O 3.4Å; V166-C184 HydrophobicContact CB-CB 4.24Å
167L81.2Confident67.1Low77 Ų77109.3 Ų109.340%0.40361%0.608SS.*BIsolated β-bridgetrans-91.5131.6-172.3-59.7177.9000112H165 R177H165-L167 HydrophobicContact CB-CD2 4.11Å; H165-L167 PolarHBondContact O-N 3.07Å; L167-R177 HydrophobicContact CB-CB 3.85Å; L167-R177 HydrophobicContact CB-CG 4.46Å; L167-R177 HydrophobicContact CD1-CB 4.07Å; L167-R177 HydrophobicContact CD1-CG 4.41Å; L167-R177 HydrophobicContact CD2-CB 4.09Å; L167-R177 HydrophobicContact CG-CB 4.22Å; L167-R177 PolarHBondContact O-NH2 3.28Å
168A77.2Confident69Low27 Ų27115.5 Ų115.522%0.22362%0.616CS.*PPolyproline II helixtrans-60.3137.4177.300000111.5S170 R177 R178 L180A168-S170 PolarHBondContact O-N 3.4Å; A168-R177 VanDerWaalsContact O-CD 3.23Å; A168-R177 WeakPolarHBondContact O-CD 3.41Å; A168-R177 PolarHBondContact O-NE 2.96Å; A168-R177 PolarHBondContact O-NH2 3.19Å; A168-R177 VanDerWaalsContact O-NH2 3.13Å; A168-R178 WeakPolarHBondContact CB-O 3.37Å; A168-R178 PolarHBondContact N-O 2.99Å; A168-L180 HydrophobicContact CB-CD2 3.49Å; A168-L180 VanDerWaalsContact CB-CD2 3.49Å; A168-L180 HydrophobicContact CB-CG 3.92Å
169P72.8Confident70.7Confident101 Ų101108.5 Ų108.566%0.65659%0.587SS**PPolyproline II helixtrans-47.5134.7177.8-28.535.6000113.3T171P169-T171 PolarHBondContact O-N 2.8Å
170S68.6Low72.6Confident74 Ų74104.8 Ų104.852%0.51756%0.56SS.*PPolyproline II helixtrans-67.9116.5179.6-57.40000107.7A168 R177A168-S170 PolarHBondContact O-N 3.4Å; S170-R177 WeakPolarHBondContact OG-CD 3.33Å; S170-R177 PolarHBondContact OG-NH1 3.13Å
171T69.3Low73.7Confident123 Ų123103 Ų10376%0.75555%0.554SS**SBendtrans-86.5-22.4165.249.90000111.3P169P169-T171 PolarHBondContact O-N 2.8Å
172D61Low74.8Confident112 Ų112104.2 Ų104.260%0.59955%0.552SS**SBendtrans-143.3122.8-171.8-42.7-70.5000109.7H174D172-H174 PolarHBondContact O-N 3.2Å
173G64.3Low75.7Confident77 Ų7797.2 Ų97.279%0.79453%0.525SS*.THydrogen-bonded Turntrans-68.215.4-167.600000117.6
174H61.7Low76.3Confident179 Ų17994.7 Ų94.783%0.82951%0.512SS*.THydrogen-bonded Turntrans-13815.5-171.4-79.5-32.3000116.1D172D172-H174 PolarHBondContact O-N 3.2Å
175Q64.8Low76.6Confident142 Ų14296.8 Ų96.866%0.66451%0.511SS*.SBendtrans-125.1142176.2-67.2-65.6-58.600112.5R177Q175-R177 PolarHBondContact O-N 3.43Å
176P69.6Low76.5Confident109 Ų10993.8 Ų93.871%0.70850%0.502SS*.PPolyproline II helixtrans-59.6127.2173.824.7-32.1000109.8R178P176-R178 PolarHBondContact O-N 3.11Å
177R72.2Confident76.6Confident104 Ų10491.9 Ų91.939%0.39249%0.491SS..PPolyproline II helixtrans-64.5131.5-173.5-56.9-108.6-67.6-151.311.4110.4L167 A168 S170 Q175L167-R177 HydrophobicContact CB-CB 3.85Å; L167-R177 HydrophobicContact CB-CG 4.46Å; L167-R177 HydrophobicContact CD1-CB 4.07Å; L167-R177 HydrophobicContact CD1-CG 4.41Å; L167-R177 HydrophobicContact CD2-CB 4.09Å; L167-R177 HydrophobicContact CG-CB 4.22Å; L167-R177 PolarHBondContact O-NH2 3.28Å; A168-R177 VanDerWaalsContact O-CD 3.23Å; A168-R177 WeakPolarHBondContact O-CD 3.41Å; A168-R177 PolarHBondContact O-NE 2.96Å; A168-R177 PolarHBondContact O-NH2 3.19Å; A168-R177 VanDerWaalsContact O-NH2 3.13Å; S170-R177 WeakPolarHBondContact OG-CD 3.33Å; S170-R177 PolarHBondContact OG-NH1 3.13Å; Q175-R177 PolarHBondContact O-N 3.43Å
178R82.4Confident76.7Confident203 Ų20393.4 Ų93.477%0.76649%0.494SS*.PPolyproline II helixtrans-78.1146.2172.2-54.8-177.3-168.2-81.6-1.9109.6A168 P176A168-R178 WeakPolarHBondContact CB-O 3.37Å; A168-R178 PolarHBondContact N-O 2.99Å; P176-R178 PolarHBondContact O-N 3.11Å
179C87.3Confident77Confident34 Ų3497.8 Ų97.823%0.2351%0.508CS..BIsolated β-bridgetrans-71.8139.1175-61.40000110.5H165 V166 L181 C184 C187H165-C179 VanDerWaalsContact CB-SG 3.54Å; H165-C179 VanDerWaalsContact CG-SG 3.58Å; H165-C179 PolarHBondContact ND1-SG 3.11Å; V166-C179 CarbonylContact O-C 3.56Å; V166-C179 WeakPolarHBondContact O-CA 3.28Å; C179-L181 PolarHBondContact O-N 3.34Å; C179-C184 HydrophobicContact CB-CB 3.96Å; C179-C187 HydrophobicContact CB-CB 4.41Å; C179-C187 VanDerWaalsContact CB-SG 3.53Å; C179-C187 VanDerWaalsContact SG-SG 3.6Å
180L85.6Confident77.5Confident41 Ų41100.2 Ų100.222%0.21551%0.509CS..  trans-71.198.2167.5-68.2177.4000108.3V166 A168 W182 A183 C184V166-L180 HydrophobicContact CG1-CD1 4.14Å; V166-L180 PolarHBondContact O-N 3.36Å; A168-L180 HydrophobicContact CB-CD2 3.49Å; A168-L180 VanDerWaalsContact CB-CD2 3.49Å; A168-L180 HydrophobicContact CB-CG 3.92Å; L180-W182 HydrophobicContact CD1-CZ2 3.93Å; L180-W182 PolarHBondContact O-N 3.32Å; L180-A183 HydrophobicContact CB-CB 4Å; L180-A183 PolarHBondContact O-N 3.26Å; L180-C184 WeakPolarHBondContact O-CB 3.41Å; L180-C184 PolarHBondContact O-N 3.09Å
181L82.2Confident78.4Confident101 Ų10198.8 Ų98.853%0.52950%0.497SS..THydrogen-bonded Turntrans-53.6-30.3-176.2-67.9175.2000113.6C179 C187C179-L181 PolarHBondContact O-N 3.34Å; L181-C187 HydrophobicContact CD2-CB 3.88Å
182W85.2Confident79.2Confident195 Ų19596.6 Ų96.674%0.73948%0.483SS*.THydrogen-bonded Turntrans-73.2-31.3177.467.1-96.3000113.4L180L180-W182 HydrophobicContact CD1-CZ2 3.93Å; L180-W182 PolarHBondContact O-N 3.32Å
183A86.2Confident80.6Confident32 Ų3295 Ų9526%0.26448%0.478SS..THydrogen-bonded Turntrans-105.6-27-175.600000113.9V166 L180 K185V166-A183 HydrophobicContact CB-CB 4.01Å; V166-A183 HydrophobicContact CG1-CB 3.82Å; V166-A183 HydrophobicContact CG2-CB 4.29Å; V166-A183 WeakPolarHBondContact CG2-O 3.4Å; L180-A183 HydrophobicContact CB-CB 4Å; L180-A183 PolarHBondContact O-N 3.26Å; A183-K185 PolarHBondContact O-N 3.17Å
184C86.9Confident81.6Confident0 Ų094.8 Ų94.80%046%0.457CS..  trans-79.2102.8-175.2177.10000110.2H165 V166 C179 L180 A186 C187 K188H165-C184 PolarHBondContact ND1-SG 3.41Å; V166-C184 HydrophobicContact CB-CB 4.24Å; C179-C184 HydrophobicContact CB-CB 3.96Å; L180-C184 WeakPolarHBondContact O-CB 3.41Å; L180-C184 PolarHBondContact O-N 3.09Å; C184-A186 VanDerWaalsContact C-N 3.3Å; C184-A186 PolarHBondContact O-N 3.01Å; C184-C187 HydrophobicContact CB-CB 4.12Å; C184-C187 PolarHBondContact O-N 3Å; C184-C187 PolarHBondContact SG-N 3.06Å; C184-C187 VanDerWaalsContact SG-N 3.39Å; C184-K188 WeakPolarHBondContact O-CB 3.39Å; C184-K188 PolarHBondContact O-N 3.18Å
185K83.5Confident83.1Confident146 Ų14690 Ų9064%0.63544%0.438SS*.Hα-helixtrans-61.7-35.2-178.3-171.8179.8-172.2-1620112.7I163 A183 K189I163-K185 HydrophobicContact CD1-CD 4.25Å; I163-K185 HydrophobicContact CD1-CG 4.36Å; I163-K185 HydrophobicContact CG2-CB 3.91Å; I163-K185 HydrophobicContact CG2-CD 4.47Å; I163-K185 HydrophobicContact CG2-CG 4.43Å; A183-K185 PolarHBondContact O-N 3.17Å; K185-K189 WeakPolarHBondContact O-CB 3.36Å; K185-K189 PolarHBondContact O-N 3.38Å
186A82.2Confident84.5Confident27 Ų2792.5 Ų92.522%0.22344%0.441CS..Hα-helixtrans-62.1-53.9174.800000112.2I163 C184 K190I163-A186 HydrophobicContact CB-CB 4.35Å; I163-A186 HydrophobicContact CG2-CB 4.37Å; C184-A186 VanDerWaalsContact C-N 3.3Å; C184-A186 PolarHBondContact O-N 3.01Å; A186-K190 PolarHBondContact O-N 3.09Å
187C83.6Confident85.6Confident25 Ų2595.9 Ų95.917%0.16944%0.44CS..Hα-helixtrans-66.5-40.6176.7-67.40000112H165 C179 L181 C184 K189 K190 T191H165-C187 VanDerWaalsContact CE1-SG 3.51Å; H165-C187 PolarHBondContact ND1-SG 3.48Å; C179-C187 HydrophobicContact CB-CB 4.41Å; C179-C187 VanDerWaalsContact CB-SG 3.53Å; C179-C187 VanDerWaalsContact SG-SG 3.6Å; L181-C187 HydrophobicContact CD2-CB 3.88Å; C184-C187 HydrophobicContact CB-CB 4.12Å; C184-C187 PolarHBondContact O-N 3Å; C184-C187 PolarHBondContact SG-N 3.06Å; C184-C187 VanDerWaalsContact SG-N 3.39Å; C187-K189 PolarHBondContact O-N 3.19Å; C187-K190 PolarHBondContact O-N 3.11Å; C187-T191 WeakPolarHBondContact O-CB 3.23Å; C187-T191 PolarHBondContact O-N 3.49Å; C187-T191 PolarHBondContact O-OG1 3.21Å; C187-T191 VanDerWaalsContact O-OG1 3.06Å
188K85.3Confident86.7Confident109 Ų10997.2 Ų97.247%0.47445%0.449SS..Hα-helixtrans-60.7-42179.7-172.8175.7-177.9-176.90111.6C184 K190 T191 V192C184-K188 WeakPolarHBondContact O-CB 3.39Å; C184-K188 PolarHBondContact O-N 3.18Å; K188-K190 VanDerWaalsContact C-N 3.34Å; K188-K190 PolarHBondContact O-N 3.29Å; K188-T191 PolarHBondContact O-N 3.26Å; K188-V192 HydrophobicContact CG-CG2 3.72Å; K188-V192 WeakPolarHBondContact O-CB 3.3Å; K188-V192 WeakPolarHBondContact O-CG2 3.48Å; K188-V192 PolarHBondContact O-N 2.74Å
189K83.5Confident87.3Confident120 Ų12089.8 Ų89.852%0.52243%0.43SS..Hα-helixtrans-59.4-45.3176.1-174.2-178.7175.5-1700111.3E160 K185 C187 T193E160-K189 IonicContact OE1-NZ 2.7Å; E160-K189 PolarHBondContact OE1-NZ 2.91Å; K185-K189 WeakPolarHBondContact O-CB 3.36Å; K185-K189 PolarHBondContact O-N 3.38Å; C187-K189 PolarHBondContact O-N 3.19Å; K189-T193 WeakPolarHBondContact O-CB 3.42Å; K189-T193 PolarHBondContact O-N 3.23Å; K189-T193 PolarHBondContact O-OG1 3.29Å
190K83.4Confident87.7Confident151 Ų15190.4 Ų90.466%0.65744%0.438SS*.Hα-helixtrans-65.6-50176.9-171.7172.4-178.4178.10111.6A186 C187 K188 T193 I194A186-K190 PolarHBondContact O-N 3.09Å; C187-K190 PolarHBondContact O-N 3.11Å; K188-K190 VanDerWaalsContact C-N 3.34Å; K188-K190 PolarHBondContact O-N 3.29Å; K190-T193 PolarHBondContact O-N 3.22Å; K190-I194 HydrophobicContact CG-CD1 4Å; K190-I194 VanDerWaalsContact O-CG1 3.3Å; K190-I194 WeakPolarHBondContact O-CG1 3.41Å; K190-I194 PolarHBondContact O-N 3.02Å; K190-I194 VanDerWaalsContact O-N 3.08Å
191T86Confident88.3Confident45 Ų4591.6 Ų91.628%0.27645%0.447SS..Hα-helixtrans-64.7-48.5-179-60.50000112.1C187 K188 T193 I194 D195C187-T191 WeakPolarHBondContact O-CB 3.23Å; C187-T191 PolarHBondContact O-N 3.49Å; C187-T191 PolarHBondContact O-OG1 3.21Å; C187-T191 VanDerWaalsContact O-OG1 3.06Å; K188-T191 PolarHBondContact O-N 3.26Å; T191-T193 VanDerWaalsContact C-N 3.29Å; T191-T193 PolarHBondContact O-N 2.89Å; T191-I194 CarbonylContact O-C 3.6Å; T191-I194 PolarHBondContact O-N 3.1Å; T191-I194 VanDerWaalsContact O-N 3.13Å; T191-D195 WeakPolarHBondContact CG2-OD2 3.27Å; T191-D195 WeakPolarHBondContact O-CB 3.47Å; T191-D195 VanDerWaalsContact O-CG 3.26Å; T191-D195 PolarHBondContact O-N 3.29Å
192V87.1Confident89.1Confident77 Ų7789.7 Ų89.747%0.46744%0.436SS..Hα-helixtrans-59.8-39.5178.4170.50000111.4K188 D195 R196K188-V192 HydrophobicContact CG-CG2 3.72Å; K188-V192 WeakPolarHBondContact O-CB 3.3Å; K188-V192 WeakPolarHBondContact O-CG2 3.48Å; K188-V192 PolarHBondContact O-N 2.74Å; V192-D195 PolarHBondContact O-N 3.46Å; V192-R196 VanDerWaalsContact O-CB 3.22Å; V192-R196 WeakPolarHBondContact O-CB 3.39Å; V192-R196 PolarHBondContact O-N 3.43Å
193T88.9Confident89.7Confident78 Ų7888 Ų8848%0.47943%0.43SS..Hα-helixtrans-65.3-44.8176.6-59.70000111.3K189 K190 T191 R196 R197K189-T193 WeakPolarHBondContact O-CB 3.42Å; K189-T193 PolarHBondContact O-N 3.23Å; K189-T193 PolarHBondContact O-OG1 3.29Å; K190-T193 PolarHBondContact O-N 3.22Å; T191-T193 VanDerWaalsContact C-N 3.29Å; T191-T193 PolarHBondContact O-N 2.89Å; T193-R196 PolarHBondContact O-N 3.04Å; T193-R197 PolarHBondContact O-N 3.02Å
194I87Confident90.3Very high72 Ų7290.2 Ų90.237%0.36944%0.435SS..Hα-helixtrans-63.6-45.4176-68.2167000110.6K190 T191 R196 R197 K198K190-I194 HydrophobicContact CG-CD1 4Å; K190-I194 VanDerWaalsContact O-CG1 3.3Å; K190-I194 WeakPolarHBondContact O-CG1 3.41Å; K190-I194 PolarHBondContact O-N 3.02Å; K190-I194 VanDerWaalsContact O-N 3.08Å; T191-I194 CarbonylContact O-C 3.6Å; T191-I194 PolarHBondContact O-N 3.1Å; T191-I194 VanDerWaalsContact O-N 3.13Å; I194-R196 PolarHBondContact O-N 3.01Å; I194-R197 WeakPolarHBondContact O-CB 3.23Å; I194-R197 PolarHBondContact O-N 3.31Å; I194-R197 VanDerWaalsContact O-N 3.12Å; I194-K198 HydrophobicContact CG2-CD 4.12Å; I194-K198 HydrophobicContact CG2-CG 4.38Å; I194-K198 WeakPolarHBondContact O-CG 3.41Å; I194-K198 PolarHBondContact O-N 3.47Å
195D92.9Very high90.8Very high80 Ų8097.6 Ų97.643%0.42846%0.463SS..Hα-helixtrans-65.2-39.6180-70.7-18.2000111.4T191 V192 R197 K198 A199T191-D195 WeakPolarHBondContact CG2-OD2 3.27Å; T191-D195 WeakPolarHBondContact O-CB 3.47Å; T191-D195 VanDerWaalsContact O-CG 3.26Å; T191-D195 PolarHBondContact O-N 3.29Å; V192-D195 PolarHBondContact O-N 3.46Å; D195-R197 VanDerWaalsContact C-N 3.3Å; D195-R197 PolarHBondContact O-N 3.26Å; D195-K198 PolarHBondContact O-N 3.27Å; D195-A199 VanDerWaalsContact O-CB 3.26Å; D195-A199 WeakPolarHBondContact O-CB 3.44Å; D195-A199 PolarHBondContact O-N 3.28Å
196R93Very high91.5Very high193 Ų19396.7 Ų96.773%0.72846%0.455SS*.Hα-helixtrans-59.6-41.9172-172.9178.1-176.4-166.41.2111.2V192 T193 I194 A200V192-R196 VanDerWaalsContact O-CB 3.22Å; V192-R196 WeakPolarHBondContact O-CB 3.39Å; V192-R196 PolarHBondContact O-N 3.43Å; T193-R196 PolarHBondContact O-N 3.04Å; I194-R196 PolarHBondContact O-N 3.01Å; R196-A200 WeakPolarHBondContact O-CB 2.88Å; R196-A200 PolarHBondContact O-N 3.42Å
197R94.1Very high92.3Very high181 Ų181101.5 Ų101.568%0.68347%0.468SS*.Hα-helixtrans-66.1-45.1176.3-170.1-175.8-64.7-174.3-0.9111.7T193 I194 D195 A200 T201T193-R197 PolarHBondContact O-N 3.02Å; I194-R197 WeakPolarHBondContact O-CB 3.23Å; I194-R197 PolarHBondContact O-N 3.31Å; I194-R197 VanDerWaalsContact O-N 3.12Å; D195-R197 VanDerWaalsContact C-N 3.3Å; D195-R197 PolarHBondContact O-N 3.26Å; R197-A200 PolarHBondContact O-N 3.16Å; R197-T201 WeakPolarHBondContact O-CB 3.39Å; R197-T201 PolarHBondContact O-N 3.22Å; R197-T201 PolarHBondContact O-OG1 2.79Å
198K94Very high93Very high132 Ų132103.6 Ų103.657%0.57448%0.477SS*.Hα-helixtrans-61.2-46175.6-72.8178.9177.6179.30111.2I194 D195 A200 T201 M202I194-K198 HydrophobicContact CG2-CD 4.12Å; I194-K198 HydrophobicContact CG2-CG 4.38Å; I194-K198 WeakPolarHBondContact O-CG 3.41Å; I194-K198 PolarHBondContact O-N 3.47Å; D195-K198 PolarHBondContact O-N 3.27Å; K198-A200 PolarHBondContact O-N 3.35Å; K198-T201 PolarHBondContact O-N 3.12Å; K198-M202 WeakPolarHBondContact O-CB 3.24Å; K198-M202 WeakPolarHBondContact O-CG 3.19Å; K198-M202 PolarHBondContact O-N 3.22Å
199A95.7Very high93.7Very high46 Ų46104.6 Ų104.638%0.3848%0.477SS..Hα-helixtrans-63.7-40.9177.500000112.5D195 M202 R203D195-A199 VanDerWaalsContact O-CB 3.26Å; D195-A199 WeakPolarHBondContact O-CB 3.44Å; D195-A199 PolarHBondContact O-N 3.28Å; A199-M202 PolarHBondContact O-N 2.98Å; A199-R203 WeakPolarHBondContact O-CG 3.44Å; A199-R203 PolarHBondContact O-N 3.37Å
200A96.4Very high94.4Very high47 Ų47106.3 Ų106.339%0.38849%0.485SS..Hα-helixtrans-62.5-45.6173.100000111.9R196 R197 K198 M202 R203 E204R196-A200 WeakPolarHBondContact O-CB 2.88Å; R196-A200 PolarHBondContact O-N 3.42Å; R197-A200 PolarHBondContact O-N 3.16Å; K198-A200 PolarHBondContact O-N 3.35Å; A200-M202 VanDerWaalsContact C-N 3.34Å; A200-M202 PolarHBondContact O-N 2.68Å; A200-R203 WeakPolarHBondContact O-CB 3.15Å; A200-R203 PolarHBondContact O-N 2.76Å; A200-R203 VanDerWaalsContact O-N 3.16Å; A200-E204 PolarHBondContact O-N 3.47Å
201T97.7Very high95.1Very high66 Ų66101.5 Ų101.541%0.40547%0.468SS..Hα-helixtrans-59.8-44176.4-55.60000111.4R197 K198 R203 E204 R205R197-T201 WeakPolarHBondContact O-CB 3.39Å; R197-T201 PolarHBondContact O-N 3.22Å; R197-T201 PolarHBondContact O-OG1 2.79Å; K198-T201 PolarHBondContact O-N 3.12Å; T201-R203 VanDerWaalsContact C-N 3.33Å; T201-R203 PolarHBondContact O-N 3.4Å; T201-E204 PolarHBondContact O-N 3.19Å; T201-R205 WeakPolarHBondContact O-CG 3.43Å; T201-R205 PolarHBondContact O-N 3.33Å
202M97.9Very high95.7Very high61 Ų61102.7 Ų102.730%0.347%0.473SS..Hα-helixtrans-66.1-34.3177.2-74.1-59.9-71.100112.7K198 A199 A200 R206K198-M202 WeakPolarHBondContact O-CB 3.24Å; K198-M202 WeakPolarHBondContact O-CG 3.19Å; K198-M202 PolarHBondContact O-N 3.22Å; A199-M202 PolarHBondContact O-N 2.98Å; A200-M202 VanDerWaalsContact C-N 3.34Å; A200-M202 PolarHBondContact O-N 2.68Å; M202-R206 WeakPolarHBondContact O-CG 3.46Å; M202-R206 PolarHBondContact O-N 3.22Å; M202-R206 VanDerWaalsContact O-N 3.14Å
203R98.3Very high96.2Very high161 Ų161105 Ų10561%0.60848%0.478SS*.Hα-helixtrans-63.3-46.4171.3-78-172.7-80.9-153.4-0.7111.4A199 A200 T201 R206 R207A199-R203 WeakPolarHBondContact O-CG 3.44Å; A199-R203 PolarHBondContact O-N 3.37Å; A200-R203 WeakPolarHBondContact O-CB 3.15Å; A200-R203 PolarHBondContact O-N 2.76Å; A200-R203 VanDerWaalsContact O-N 3.16Å; T201-R203 VanDerWaalsContact C-N 3.33Å; T201-R203 PolarHBondContact O-N 3.4Å; R203-R206 WeakPolarHBondContact O-CB 3.41Å; R203-R206 PolarHBondContact O-N 2.86Å; R203-R206 VanDerWaalsContact O-N 3.16Å; R203-R207 PolarHBondContact O-N 3.4Å
204E98.4Very high96.6Very high78 Ų78103.9 Ų103.936%0.36448%0.477SS..Hα-helixtrans-65.7-40.9179.3-177.255.1-161.800112.5A200 T201 R206 R207 L208A200-E204 PolarHBondContact O-N 3.47Å; T201-E204 PolarHBondContact O-N 3.19Å; E204-R206 VanDerWaalsContact C-N 3.28Å; E204-R206 PolarHBondContact O-N 3.22Å; E204-R207 WeakPolarHBondContact O-CB 3.49Å; E204-R207 PolarHBondContact O-N 3.34Å; E204-R207 VanDerWaalsContact O-N 3.13Å; E204-R207 IonicContact OE1-CZ 3.31Å; E204-R207 VanDerWaalsContact OE1-CZ 3.31Å; E204-R207 IonicContact OE1-NE 3.14Å; E204-R207 PolarHBondContact OE1-NE 3.01Å; E204-R207 VanDerWaalsContact OE1-NE 3.14Å; E204-R207 IonicContact OE1-NH2 2.67Å; E204-R207 PolarHBondContact OE1-NH2 2.9Å; E204-R207 IonicContact OE2-CZ 3.75Å; E204-R207 IonicContact OE2-NE 2.81Å; E204-R207 PolarHBondContact OE2-NE 3.31Å; E204-R207 IonicContact OE2-NH2 3.83Å; E204-L208 HydrophobicContact CG-CD1 4.26Å; E204-L208 PolarHBondContact O-N 3.28Å
205R98.5Very high97.2Very high155 Ų155102.2 Ų102.259%0.58547%0.467SS*.Hα-helixtrans-57.7-38.3172-74.2179.6179.3-168.5-1.3112.5T201 R209T201-R205 WeakPolarHBondContact O-CG 3.43Å; T201-R205 PolarHBondContact O-N 3.33Å; R205-R209 WeakPolarHBondContact O-CG 3.38Å; R205-R209 PolarHBondContact O-N 3.48Å; R205-R209 PolarHBondContact O-NE 2.98Å
206R98.6Very high97.4Very high127 Ų127102.5 Ų102.548%0.47947%0.466SS..Hα-helixtrans-69-40.3175.6-72.3175.3-170.2120.5-4.4111.6M202 R203 E204 R209 K210M202-R206 WeakPolarHBondContact O-CG 3.46Å; M202-R206 PolarHBondContact O-N 3.22Å; M202-R206 VanDerWaalsContact O-N 3.14Å; R203-R206 WeakPolarHBondContact O-CB 3.41Å; R203-R206 PolarHBondContact O-N 2.86Å; R203-R206 VanDerWaalsContact O-N 3.16Å; E204-R206 VanDerWaalsContact C-N 3.28Å; E204-R206 PolarHBondContact O-N 3.22Å; R206-R209 PolarHBondContact O-N 2.92Å; R206-K210 PolarHBondContact O-N 3.34Å
207R98.7Very high97.6Very high128 Ų12897.1 Ų97.148%0.48345%0.451SS..Hα-helixtrans-61.8-49.2176.8-167.5-16771.481.6-0.1111.5R203 E204 R209 K210 V211R203-R207 PolarHBondContact O-N 3.4Å; E204-R207 WeakPolarHBondContact O-CB 3.49Å; E204-R207 PolarHBondContact O-N 3.34Å; E204-R207 VanDerWaalsContact O-N 3.13Å; E204-R207 IonicContact OE1-CZ 3.31Å; E204-R207 VanDerWaalsContact OE1-CZ 3.31Å; E204-R207 IonicContact OE1-NE 3.14Å; E204-R207 PolarHBondContact OE1-NE 3.01Å; E204-R207 VanDerWaalsContact OE1-NE 3.14Å; E204-R207 IonicContact OE1-NH2 2.67Å; E204-R207 PolarHBondContact OE1-NH2 2.9Å; E204-R207 IonicContact OE2-CZ 3.75Å; E204-R207 IonicContact OE2-NE 2.81Å; E204-R207 PolarHBondContact OE2-NE 3.31Å; E204-R207 IonicContact OE2-NH2 3.83Å; R207-R209 VanDerWaalsContact C-N 3.3Å; R207-R209 PolarHBondContact O-N 3.42Å; R207-K210 PolarHBondContact O-N 3.4Å; R207-V211 PolarHBondContact O-N 3.46Å; R207-V211 VanDerWaalsContact O-N 3.12Å
208L98.3Very high97.8Very high69 Ų6991.2 Ų91.236%0.36143%0.432SS..Hα-helixtrans-63.4-33.1178.9-70.3173.9000113E204 V211 N212E204-L208 HydrophobicContact CG-CD1 4.26Å; E204-L208 PolarHBondContact O-N 3.28Å; L208-V211 PolarHBondContact O-N 2.87Å; L208-N212 WeakPolarHBondContact O-CB 3.38Å; L208-N212 PolarHBondContact O-N 2.81Å
209R98.4Very high98Very high130 Ų13085.6 Ų85.649%0.49141%0.408SS..Hα-helixtrans-59.8-46.7172.6-83.6-178.5-86.5146.3-20.3112.3R205 R206 R207 V211 N212 E213R205-R209 WeakPolarHBondContact O-CG 3.38Å; R205-R209 PolarHBondContact O-N 3.48Å; R205-R209 PolarHBondContact O-NE 2.98Å; R206-R209 PolarHBondContact O-N 2.92Å; R207-R209 VanDerWaalsContact C-N 3.3Å; R207-R209 PolarHBondContact O-N 3.42Å; R209-V211 VanDerWaalsContact C-N 3.34Å; R209-V211 PolarHBondContact O-N 3.37Å; R209-N212 PolarHBondContact O-N 3.14Å; R209-E213 PolarHBondContact O-N 3.21Å
210K98.4Very high98Very high155 Ų15590.2 Ų90.267%0.67442%0.416SS*.Hα-helixtrans-62.3-41.2176.1-65.6-175.3176-170.20112.1R206 R207 E213 A214R206-K210 PolarHBondContact O-N 3.34Å; R207-K210 PolarHBondContact O-N 3.4Å; K210-E213 PolarHBondContact O-N 2.92Å; K210-A214 PolarHBondContact O-N 3.2Å
211V98.5Very high98.1Very high50 Ų5096.7 Ų96.730%0.30343%0.43SS..Hα-helixtrans-62.6-45.8175.9174.20000110.6R207 L208 R209 E213 A214 F215R207-V211 PolarHBondContact O-N 3.46Å; R207-V211 VanDerWaalsContact O-N 3.12Å; L208-V211 PolarHBondContact O-N 2.87Å; R209-V211 VanDerWaalsContact C-N 3.34Å; R209-V211 PolarHBondContact O-N 3.37Å; V211-E213 VanDerWaalsContact C-N 3.34Å; V211-E213 PolarHBondContact O-N 3.12Å; V211-A214 WeakPolarHBondContact O-CB 3.42Å; V211-A214 PolarHBondContact O-N 3.47Å; V211-F215 HydrophobicContact CG1-CD2 3.93Å; V211-F215 HydrophobicContact CG1-CE2 3.94Å; V211-F215 WeakPolarHBondContact O-CD2 3.4Å; V211-F215 PolarHBondContact O-N 3.32Å
212N98.2Very high98Very high70 Ų7094.5 Ų94.537%0.37442%0.417SS..Hα-helixtrans-64.4-38.3178.8-69.8-11.2000112L208 R209 A214 F215 E216 K232L208-N212 WeakPolarHBondContact O-CB 3.38Å; L208-N212 PolarHBondContact O-N 2.81Å; R209-N212 PolarHBondContact O-N 3.14Å; N212-A214 VanDerWaalsContact C-N 3.33Å; N212-A214 PolarHBondContact O-N 2.67Å; N212-F215 WeakPolarHBondContact O-CB 3.39Å; N212-F215 PolarHBondContact O-N 3.25Å; N212-E216 WeakPolarHBondContact O-CG 3.47Å; N212-E216 PolarHBondContact O-N 2.84Å; N212-K232 WeakPolarHBondContact OD1-CE 3.49Å; N212-K232 PolarHBondContact OD1-NZ 3.39Å
213E98.4Very high97.9Very high125 Ų12592 Ų9258%0.58441%0.405SS*.Hα-helixtrans-59.8-42.7172.9-176.8177.8-174.800112R209 K210 V211 F215 E216 I217R209-E213 PolarHBondContact O-N 3.21Å; K210-E213 PolarHBondContact O-N 2.92Å; V211-E213 VanDerWaalsContact C-N 3.34Å; V211-E213 PolarHBondContact O-N 3.12Å; E213-F215 VanDerWaalsContact C-N 3.34Å; E213-F215 PolarHBondContact O-N 3.43Å; E213-E216 PolarHBondContact O-N 2.82Å; E213-I217 HydrophobicContact CG-CD1 4.37Å; E213-I217 WeakPolarHBondContact O-CG1 3.46Å; E213-I217 PolarHBondContact O-N 3.26Å
214A98.2Very high97.5Very high55 Ų5589 Ų8946%0.45541%0.414SS..Hα-helixtrans-62.8-38.9174.200000112.5K210 V211 N212 I217 L218K210-A214 PolarHBondContact O-N 3.2Å; V211-A214 WeakPolarHBondContact O-CB 3.42Å; V211-A214 PolarHBondContact O-N 3.47Å; N212-A214 VanDerWaalsContact C-N 3.33Å; N212-A214 PolarHBondContact O-N 2.67Å; A214-I217 PolarHBondContact O-N 3.34Å; A214-L218 WeakPolarHBondContact O-CB 3.48Å; A214-L218 PolarHBondContact O-N 3.06Å
215F98.2Very high97.2Very high37 Ų3790.2 Ų90.216%0.16242%0.423CS..Hα-helixtrans-61.8-41.6173-93.8-86.5000112.1V211 N212 E213 L218 K219 K232 I235 L236V211-F215 HydrophobicContact CG1-CD2 3.93Å; V211-F215 HydrophobicContact CG1-CE2 3.94Å; V211-F215 WeakPolarHBondContact O-CD2 3.4Å; V211-F215 PolarHBondContact O-N 3.32Å; N212-F215 WeakPolarHBondContact O-CB 3.39Å; N212-F215 PolarHBondContact O-N 3.25Å; E213-F215 VanDerWaalsContact C-N 3.34Å; E213-F215 PolarHBondContact O-N 3.43Å; F215-L218 PolarHBondContact O-N 3.22Å; F215-K219 VanDerWaalsContact O-CB 3.24Å; F215-K219 WeakPolarHBondContact O-CB 3.34Å; F215-K219 PolarHBondContact O-N 2.91Å; F215-K232 HydrophobicContact CD1-CB 4.25Å; F215-K232 HydrophobicContact CD1-CG 4.03Å; F215-K232 HydrophobicContact CD2-CD 4.43Å; F215-K232 HydrophobicContact CE1-CB 3.68Å; F215-K232 HydrophobicContact CE1-CD 4.25Å; F215-K232 HydrophobicContact CE1-CG 3.88Å; F215-K232 HydrophobicContact CE2-CD 4.16Å; F215-K232 HydrophobicContact CG-CG 4.48Å; F215-K232 HydrophobicContact CZ-CB 4.07Å; F215-K232 HydrophobicContact CZ-CD 4.06Å; F215-K232 HydrophobicContact CZ-CG 4.2Å; F215-I235 HydrophobicContact CD1-CB 4.29Å; F215-I235 HydrophobicContact CD1-CD1 4.08Å; F215-I235 HydrophobicContact CD1-CG2 4.17Å; F215-L236 HydrophobicContact CE1-CD2 4.11Å; F215-L236 HydrophobicContact CE1-CG 4.11Å; F215-L236 HydrophobicContact CZ-CD1 4.48Å; F215-L236 HydrophobicContact CZ-CD2 4.25Å; F215-L236 HydrophobicContact CZ-CG 4.42Å
216E97.3Very high96.9Very high87 Ų8785.2 Ų85.241%0.40741%0.411SS..Hα-helixtrans-66.5-36.6176.5-67.3-54.7131.900112.2N212 E213 R220N212-E216 WeakPolarHBondContact O-CG 3.47Å; N212-E216 PolarHBondContact O-N 2.84Å; E213-E216 PolarHBondContact O-N 2.82Å; E216-R220 WeakPolarHBondContact O-CG 3.1Å; E216-R220 PolarHBondContact O-N 3.13Å; E216-R220 VanDerWaalsContact O-N 3.12Å; E216-R220 PolarHBondContact O-NH1 3.16Å
217I97.5Very high96.6Very high79 Ų7986.8 Ų86.841%0.40543%0.429SS..Hα-helixtrans-63.7-49.5172.8-66.1163.9000110.4E213 A214 K219 R220 R221E213-I217 HydrophobicContact CG-CD1 4.37Å; E213-I217 WeakPolarHBondContact O-CG1 3.46Å; E213-I217 PolarHBondContact O-N 3.26Å; A214-I217 PolarHBondContact O-N 3.34Å; I217-K219 VanDerWaalsContact C-N 3.33Å; I217-K219 PolarHBondContact O-N 3.28Å; I217-R220 PolarHBondContact O-N 3.01Å; I217-R221 WeakPolarHBondContact O-CG 3.43Å; I217-R221 PolarHBondContact O-N 3.14Å
218L98.1Very high96.3Very high57 Ų5785.8 Ų85.830%0.29843%0.43SS..Hα-helixtrans-59.2-45.6-180-178.461.3000111.4A214 F215 R220 R221 T222 I235 L236 A239A214-L218 WeakPolarHBondContact O-CB 3.48Å; A214-L218 PolarHBondContact O-N 3.06Å; F215-L218 PolarHBondContact O-N 3.22Å; L218-R220 VanDerWaalsContact C-N 3.33Å; L218-R220 PolarHBondContact O-N 3.3Å; L218-R221 PolarHBondContact O-N 2.98Å; L218-T222 HydrophobicContact CD1-CG2 3.73Å; L218-T222 HydrophobicContact CG-CG2 4.4Å; L218-T222 PolarHBondContact O-N 3.46Å; L218-T222 PolarHBondContact O-OG1 3.09Å; L218-I235 HydrophobicContact CB-CG2 4.31Å; L218-I235 HydrophobicContact CD2-CG2 3.96Å; L218-I235 HydrophobicContact CG-CG2 3.99Å; L218-L236 HydrophobicContact CD2-CD2 4.28Å; L218-A239 HydrophobicContact CD1-CB 3.85Å; L218-A239 HydrophobicContact CD2-CB 4.06Å; L218-A239 HydrophobicContact CG-CB 4.15Å
219K97.6Very high96.2Very high15 Ų1593.8 Ų93.87%0.06546%0.455CS..Hα-helixtrans-57.2-43.9176.7-175.5-169.7178.9-155.30112.1F215 I217 R221 T222 C223 P226 Q228 I235F215-K219 VanDerWaalsContact O-CB 3.24Å; F215-K219 WeakPolarHBondContact O-CB 3.34Å; F215-K219 PolarHBondContact O-N 2.91Å; I217-K219 VanDerWaalsContact C-N 3.33Å; I217-K219 PolarHBondContact O-N 3.28Å; K219-R221 PolarHBondContact O-N 2.93Å; K219-T222 PolarHBondContact O-N 3.16Å; K219-C223 HydrophobicContact CG-CB 4.2Å; K219-C223 VanDerWaalsContact O-CB 3.23Å; K219-C223 WeakPolarHBondContact O-CB 3.44Å; K219-C223 PolarHBondContact O-N 3.02Å; K219-P226 WeakPolarHBondContact CE-O 3.43Å; K219-P226 PolarHBondContact NZ-O 3.42Å; K219-Q228 WeakPolarHBondContact CE-O 3.38Å; K219-Q228 PolarHBondContact NZ-O 2.8Å; K219-I235 HydrophobicContact CB-CD1 4.12Å; K219-I235 HydrophobicContact CB-CG1 4.29Å; K219-I235 HydrophobicContact CB-CG2 4.09Å; K219-I235 HydrophobicContact CD-CD1 4.14Å; K219-I235 HydrophobicContact CG-CD1 4.23Å; K219-I235 HydrophobicContact CG-CG1 4.25Å
220R97.1Very high96Very high142 Ų14289.4 Ų89.454%0.53644%0.442SS..Hα-helixtrans-63.1-24176.1-76.1-171.1-62.5-89.15.6114.1E216 I217 L218 P226E216-R220 WeakPolarHBondContact O-CG 3.1Å; E216-R220 PolarHBondContact O-N 3.13Å; E216-R220 VanDerWaalsContact O-N 3.12Å; E216-R220 PolarHBondContact O-NH1 3.16Å; I217-R220 PolarHBondContact O-N 3.01Å; L218-R220 VanDerWaalsContact C-N 3.33Å; L218-R220 PolarHBondContact O-N 3.3Å; R220-P226 HydrophobicContact CG-CB 4.06Å
221R96.8Very high95.9Very high183 Ų18386 Ų8669%0.69144%0.435SS*.Hα-helixtrans-93.8-26.9-177.2-65.3-65.2-173171.71.7113.7I217 L218 K219I217-R221 WeakPolarHBondContact O-CG 3.43Å; I217-R221 PolarHBondContact O-N 3.14Å; L218-R221 PolarHBondContact O-N 2.98Å; K219-R221 PolarHBondContact O-N 2.93Å
222T97.1Very high95.9Very high20 Ų2088.2 Ų88.212%0.12344%0.441CS..Hα-helixtrans-116.2-27.8-167.355.90000112.9L218 K219 A239 Y242L218-T222 HydrophobicContact CD1-CG2 3.73Å; L218-T222 HydrophobicContact CG-CG2 4.4Å; L218-T222 PolarHBondContact O-N 3.46Å; L218-T222 PolarHBondContact O-OG1 3.09Å; K219-T222 PolarHBondContact O-N 3.16Å; T222-A239 HydrophobicContact CG2-CB 3.79Å; T222-Y242 HydrophobicContact CG2-CD1 4Å; T222-Y242 HydrophobicContact CG2-CG 4.32Å
223C94.1Very high95.9Very high10 Ų1088.9 Ų88.97%0.06845%0.447CS..  trans-93.2133-177.6-54.50000110.3K219 N225 L230K219-C223 HydrophobicContact CG-CB 4.2Å; K219-C223 VanDerWaalsContact O-CB 3.23Å; K219-C223 WeakPolarHBondContact O-CB 3.44Å; K219-C223 PolarHBondContact O-N 3.02Å; C223-N225 VanDerWaalsContact C-N 3.26Å; C223-N225 PolarHBondContact O-N 3.48Å; C223-L230 HydrophobicContact CB-CD1 3.93Å; C223-L230 VanDerWaalsContact SG-CD1 3.53Å
224A91.4Very high95.9Very high96 Ų9686.1 Ų86.179%0.79343%0.434SS*.SBendtrans-58.9-36.917800000113P226A224-P226 WeakPolarHBondContact O-CD 3.38Å
225N91.8Very high95.8Very high104 Ų10483.7 Ų83.756%0.55641%0.414SS*.  trans-116.786.9-179.9-67.6-48.9000110.9C223 N227 Q228C223-N225 VanDerWaalsContact C-N 3.26Å; C223-N225 PolarHBondContact O-N 3.48Å; N225-N227 PolarHBondContact O-N 3.12Å; N225-N227 VanDerWaalsContact O-N 3.11Å; N225-Q228 HydrophobicContact CB-CB 4.27Å; N225-Q228 WeakPolarHBondContact O-CB 3.45Å; N225-Q228 PolarHBondContact O-N 2.84Å; N225-Q228 VanDerWaalsContact O-N 3.09Å
226P91.2Very high95.9Very high50 Ų5085.9 Ų85.933%0.32543%0.426SS..THydrogen-bonded Turntrans-64.7-19.4-176.425.9-35.6000114K219 R220 A224 Q228K219-P226 WeakPolarHBondContact CE-O 3.43Å; K219-P226 PolarHBondContact NZ-O 3.42Å; R220-P226 HydrophobicContact CG-CB 4.06Å; A224-P226 WeakPolarHBondContact O-CD 3.38Å; P226-Q228 VanDerWaalsContact C-N 3.34Å
227N92.7Very high95.9Very high161 Ų16188.4 Ų88.486%0.86143%0.432SS*.THydrogen-bonded Turntrans-78-18177.8-63.4-34.7000113N225N225-N227 PolarHBondContact O-N 3.12Å; N225-N227 VanDerWaalsContact O-N 3.11Å
228Q93.7Very high95.9Very high106 Ų10686.4 Ų86.450%0.49542%0.422SS..SBendtrans-69.9134.1178.6-175.6178.3-1.500110.4K219 N225 P226 L230K219-Q228 WeakPolarHBondContact CE-O 3.38Å; K219-Q228 PolarHBondContact NZ-O 2.8Å; N225-Q228 HydrophobicContact CB-CB 4.27Å; N225-Q228 WeakPolarHBondContact O-CB 3.45Å; N225-Q228 PolarHBondContact O-N 2.84Å; N225-Q228 VanDerWaalsContact O-N 3.09Å; P226-Q228 VanDerWaalsContact C-N 3.34Å; Q228-L230 HydrophobicContact CB-CG 4.46Å; Q228-L230 HydrophobicContact CG-CD2 4.01Å; Q228-L230 HydrophobicContact CG-CG 4.26Å; Q228-L230 PolarHBondContact O-N 3.3Å
229R95.2Very high95.9Very high237 Ų23784.1 Ų84.189%0.89441%0.412SS*.  trans-70.7116.9170.6-69.2176.765.9-158.1-0108.7
230L94.5Very high95.9Very high39 Ų3988 Ų8820%0.20443%0.432CS..  trans-118.8139.3-179.9-67.5173.5000110.1C223 Q228 E234 I235C223-L230 HydrophobicContact CB-CD1 3.93Å; C223-L230 VanDerWaalsContact SG-CD1 3.53Å; Q228-L230 HydrophobicContact CB-CG 4.46Å; Q228-L230 HydrophobicContact CG-CD2 4.01Å; Q228-L230 HydrophobicContact CG-CG 4.26Å; Q228-L230 PolarHBondContact O-N 3.3Å; L230-E234 HydrophobicContact CD2-CG 4.21Å; L230-I235 HydrophobicContact CB-CD1 4.41Å; L230-I235 HydrophobicContact CB-CG1 3.91Å
231P97.1Very high96Very high82 Ų8286.4 Ų86.453%0.53243%0.431SS..  trans-67.8153.1172.826.9-29.9000110.7V233 E234 I235P231-V233 VanDerWaalsContact C-N 3.27Å; P231-V233 HydrophobicContact CB-CG1 4.45Å; P231-V233 PolarHBondContact O-N 2.97Å; P231-E234 HydrophobicContact CG-CB 3.71Å; P231-E234 WeakPolarHBondContact O-CB 3.38Å; P231-E234 PolarHBondContact O-N 3.5Å; P231-I235 PolarHBondContact O-N 2.94Å
232K97.7Very high96Very high98 Ų9882.6 Ų82.643%0.42642%0.417SS..Hα-helixtrans-56.4-39.6-175.8-72.5-172.1174-1730113.3N212 F215 E234 I235 L236N212-K232 WeakPolarHBondContact OD1-CE 3.49Å; N212-K232 PolarHBondContact OD1-NZ 3.39Å; F215-K232 HydrophobicContact CD1-CB 4.25Å; F215-K232 HydrophobicContact CD1-CG 4.03Å; F215-K232 HydrophobicContact CD2-CD 4.43Å; F215-K232 HydrophobicContact CE1-CB 3.68Å; F215-K232 HydrophobicContact CE1-CD 4.25Å; F215-K232 HydrophobicContact CE1-CG 3.88Å; F215-K232 HydrophobicContact CE2-CD 4.16Å; F215-K232 HydrophobicContact CG-CG 4.48Å; F215-K232 HydrophobicContact CZ-CB 4.07Å; F215-K232 HydrophobicContact CZ-CD 4.06Å; F215-K232 HydrophobicContact CZ-CG 4.2Å; K232-E234 VanDerWaalsContact C-N 3.26Å; K232-E234 PolarHBondContact O-N 2.79Å; K232-I235 PolarHBondContact O-N 2.83Å; K232-L236 WeakPolarHBondContact O-CG 3.26Å; K232-L236 PolarHBondContact O-N 3.02Å
233V98.2Very high96.1Very high84 Ų8486 Ų8651%0.50943%0.433SS..Hα-helixtrans-62.7-35.1178.466.70000112P231 L236 R237P231-V233 VanDerWaalsContact C-N 3.27Å; P231-V233 HydrophobicContact CB-CG1 4.45Å; P231-V233 PolarHBondContact O-N 2.97Å; V233-L236 WeakPolarHBondContact O-CB 3.34Å; V233-L236 PolarHBondContact O-N 2.88Å; V233-R237 WeakPolarHBondContact O-CG 3.3Å; V233-R237 PolarHBondContact O-N 3.46Å; V233-R237 VanDerWaalsContact O-N 3.11Å
234E97.7Very high96.2Very high67 Ų6791 Ų9131%0.31346%0.456SS..Hα-helixtrans-74.4-39.3-178.8-171.656.6-151.200111.6L230 P231 K232 L236 R237 N238L230-E234 HydrophobicContact CD2-CG 4.21Å; P231-E234 HydrophobicContact CG-CB 3.71Å; P231-E234 WeakPolarHBondContact O-CB 3.38Å; P231-E234 PolarHBondContact O-N 3.5Å; K232-E234 VanDerWaalsContact C-N 3.26Å; K232-E234 PolarHBondContact O-N 2.79Å; E234-L236 PolarHBondContact O-N 3.49Å; E234-R237 PolarHBondContact O-N 3.07Å; E234-R237 VanDerWaalsContact O-N 3.13Å; E234-N238 PolarHBondContact O-N 3.41Å; E234-N238 PolarHBondContact O-ND2 3.04Å; E234-N238 PolarHBondContact OE1-ND2 2.89Å
235I97.8Very high96.5Very high4 Ų489 Ų892%0.02144%0.436CS..Hα-helixtrans-57.4-38172.2-61.6168.2000110.6F215 L218 K219 L230 P231 K232 A239F215-I235 HydrophobicContact CD1-CB 4.29Å; F215-I235 HydrophobicContact CD1-CD1 4.08Å; F215-I235 HydrophobicContact CD1-CG2 4.17Å; L218-I235 HydrophobicContact CB-CG2 4.31Å; L218-I235 HydrophobicContact CD2-CG2 3.96Å; L218-I235 HydrophobicContact CG-CG2 3.99Å; K219-I235 HydrophobicContact CB-CD1 4.12Å; K219-I235 HydrophobicContact CB-CG1 4.29Å; K219-I235 HydrophobicContact CB-CG2 4.09Å; K219-I235 HydrophobicContact CD-CD1 4.14Å; K219-I235 HydrophobicContact CG-CD1 4.23Å; K219-I235 HydrophobicContact CG-CG1 4.25Å; L230-I235 HydrophobicContact CB-CD1 4.41Å; L230-I235 HydrophobicContact CB-CG1 3.91Å; P231-I235 PolarHBondContact O-N 2.94Å; K232-I235 PolarHBondContact O-N 2.83Å; I235-A239 WeakPolarHBondContact O-CB 3.22Å; I235-A239 PolarHBondContact O-N 3.4Å; I235-A239 VanDerWaalsContact O-N 3.09Å
236L98.5Very high96.7Very high82 Ų8287 Ų8743%0.42943%0.425SS..Hα-helixtrans-68.9-40.5176.9-63.6173000112.3F215 L218 K232 V233 E234 A239 I240F215-L236 HydrophobicContact CE1-CD2 4.11Å; F215-L236 HydrophobicContact CE1-CG 4.11Å; F215-L236 HydrophobicContact CZ-CD1 4.48Å; F215-L236 HydrophobicContact CZ-CD2 4.25Å; F215-L236 HydrophobicContact CZ-CG 4.42Å; L218-L236 HydrophobicContact CD2-CD2 4.28Å; K232-L236 WeakPolarHBondContact O-CG 3.26Å; K232-L236 PolarHBondContact O-N 3.02Å; V233-L236 WeakPolarHBondContact O-CB 3.34Å; V233-L236 PolarHBondContact O-N 2.88Å; E234-L236 PolarHBondContact O-N 3.49Å; L236-A239 PolarHBondContact O-N 2.88Å; L236-I240 WeakPolarHBondContact O-CG1 3.39Å; L236-I240 PolarHBondContact O-N 3.24Å; L236-I240 VanDerWaalsContact O-N 3.11Å
237R98Very high96.9Very high141 Ų14189.4 Ų89.453%0.53243%0.432SS..Hα-helixtrans-61.8-50.4175.8-69.3-179-172.2-74.7-0.1111.6V233 E234 A239 I240 E241V233-R237 WeakPolarHBondContact O-CG 3.3Å; V233-R237 PolarHBondContact O-N 3.46Å; V233-R237 VanDerWaalsContact O-N 3.11Å; E234-R237 PolarHBondContact O-N 3.07Å; E234-R237 VanDerWaalsContact O-N 3.13Å; R237-A239 PolarHBondContact O-N 3.31Å; R237-I240 PolarHBondContact O-N 2.9Å; R237-I240 VanDerWaalsContact O-N 3.07Å; R237-E241 PolarHBondContact O-N 3.38Å
238N97.7Very high97Very high37 Ų3789 Ų8920%0.19843%0.425CS..Hα-helixtrans-57.4-36.2176.1-74.8-82.7000112.2E234 Y242E234-N238 PolarHBondContact O-N 3.41Å; E234-N238 PolarHBondContact O-ND2 3.04Å; E234-N238 PolarHBondContact OE1-ND2 2.89Å; N238-Y242 VanDerWaalsContact O-CB 3.23Å; N238-Y242 WeakPolarHBondContact O-CB 3.43Å; N238-Y242 PolarHBondContact O-N 3.08Å
239A98.5Very high97.1Very high9 Ų990 Ų907%0.07443%0.431CS..Hα-helixtrans-67-40.5176.600000113.3L218 T222 I235 L236 R237 I243L218-A239 HydrophobicContact CD1-CB 3.85Å; L218-A239 HydrophobicContact CD2-CB 4.06Å; L218-A239 HydrophobicContact CG-CB 4.15Å; T222-A239 HydrophobicContact CG2-CB 3.79Å; I235-A239 WeakPolarHBondContact O-CB 3.22Å; I235-A239 PolarHBondContact O-N 3.4Å; I235-A239 VanDerWaalsContact O-N 3.09Å; L236-A239 PolarHBondContact O-N 2.88Å; R237-A239 PolarHBondContact O-N 3.31Å; A239-I243 WeakPolarHBondContact O-CD1 3.37Å; A239-I243 VanDerWaalsContact O-CG1 3.27Å; A239-I243 WeakPolarHBondContact O-CG1 3.32Å; A239-I243 PolarHBondContact O-N 3.13Å; A239-I243 VanDerWaalsContact O-N 3.07Å
240I98.2Very high97Very high95 Ų9585.1 Ų85.149%0.48742%0.42SS..Hα-helixtrans-63.7-51.6176.2-66.4163000109.4L236 R237 Y242 I243 E244L236-I240 WeakPolarHBondContact O-CG1 3.39Å; L236-I240 PolarHBondContact O-N 3.24Å; L236-I240 VanDerWaalsContact O-N 3.11Å; R237-I240 PolarHBondContact O-N 2.9Å; R237-I240 VanDerWaalsContact O-N 3.07Å; I240-Y242 VanDerWaalsContact C-N 3.28Å; I240-Y242 PolarHBondContact O-N 3.49Å; I240-I243 PolarHBondContact O-N 3.04Å; I240-I243 VanDerWaalsContact O-N 3.13Å; I240-E244 HydrophobicContact CG2-CG 4.39Å; I240-E244 WeakPolarHBondContact O-CG 3.13Å; I240-E244 PolarHBondContact O-N 2.89Å
241E97.8Very high96.9Very high109 Ų10989.2 Ų89.251%0.50944%0.438SS..Hα-helixtrans-58.1-40.7178.6-68.9169.5-159.900112R237 E244 S245R237-E241 PolarHBondContact O-N 3.38Å; E241-E244 PolarHBondContact O-N 3.44Å; E241-S245 WeakPolarHBondContact O-CB 3.15Å; E241-S245 PolarHBondContact O-N 3.45Å; E241-S245 PolarHBondContact O-OG 3.22Å
242Y98.2Very high96Very high104 Ų10487.1 Ų87.141%0.40843%0.432SS..Hα-helixtrans-63.1-45.4176.9-176.3-110.6000111.9T222 N238 I240 S245 L246T222-Y242 HydrophobicContact CG2-CD1 4Å; T222-Y242 HydrophobicContact CG2-CG 4.32Å; N238-Y242 VanDerWaalsContact O-CB 3.23Å; N238-Y242 WeakPolarHBondContact O-CB 3.43Å; N238-Y242 PolarHBondContact O-N 3.08Å; I240-Y242 VanDerWaalsContact C-N 3.28Å; I240-Y242 PolarHBondContact O-N 3.49Å; Y242-S245 PolarHBondContact O-N 3.21Å; Y242-S245 PolarHBondContact O-OG 3.3Å; Y242-L246 HydrophobicContact CD1-CD1 3.89Å; Y242-L246 HydrophobicContact CE1-CD1 3.38Å; Y242-L246 HydrophobicContact CE1-CG 4.26Å; Y242-L246 HydrophobicContact CE2-CD1 4.28Å; Y242-L246 HydrophobicContact CE2-CD2 4.48Å; Y242-L246 HydrophobicContact CE2-CG 4.34Å; Y242-L246 WeakPolarHBondContact O-CG 3.17Å; Y242-L246 PolarHBondContact O-N 2.76Å; Y242-L246 VanDerWaalsContact O-N 3.1Å
243I97.7Very high94.4Very high91 Ų9185.6 Ų85.647%0.46743%0.433SS..Hα-helixtrans-61.8-48.4176.7-68.3164.6000110.4A239 I240 S245 L246 E247A239-I243 WeakPolarHBondContact O-CD1 3.37Å; A239-I243 VanDerWaalsContact O-CG1 3.27Å; A239-I243 WeakPolarHBondContact O-CG1 3.32Å; A239-I243 PolarHBondContact O-N 3.13Å; A239-I243 VanDerWaalsContact O-N 3.07Å; I240-I243 PolarHBondContact O-N 3.04Å; I240-I243 VanDerWaalsContact O-N 3.13Å; I243-S245 VanDerWaalsContact C-N 3.33Å; I243-S245 PolarHBondContact O-N 3.45Å; I243-L246 PolarHBondContact O-N 2.84Å; I243-E247 HydrophobicContact CG2-CG 4.31Å; I243-E247 WeakPolarHBondContact O-CG 3.38Å; I243-E247 PolarHBondContact O-N 2.77Å
244E97.7Very high92.5Very high114 Ų11482.9 Ų82.953%0.53342%0.423SS..Hα-helixtrans-58.6-43179.3-70.3174.6167.900111.7I240 E241 L246 E247 E248I240-E244 HydrophobicContact CG2-CG 4.39Å; I240-E244 WeakPolarHBondContact O-CG 3.13Å; I240-E244 PolarHBondContact O-N 2.89Å; E241-E244 PolarHBondContact O-N 3.44Å; E244-L246 PolarHBondContact O-N 2.7Å; E244-E247 PolarHBondContact O-N 3.42Å; E244-E248 PolarHBondContact O-N 2.8Å
245S96.4Very high90.6Very high56 Ų5687.2 Ų87.239%0.39244%0.44SS..Hα-helixtrans-65-37.5177.8750000113.3E241 Y242 I243 M249E241-S245 WeakPolarHBondContact O-CB 3.15Å; E241-S245 PolarHBondContact O-N 3.45Å; E241-S245 PolarHBondContact O-OG 3.22Å; Y242-S245 PolarHBondContact O-N 3.21Å; Y242-S245 PolarHBondContact O-OG 3.3Å; I243-S245 VanDerWaalsContact C-N 3.33Å; I243-S245 PolarHBondContact O-N 3.45Å; S245-M249 PolarHBondContact O-N 3.22Å; S245-M249 VanDerWaalsContact O-N 3.1Å
246L96.8Very high88.7Confident61 Ų6193.7 Ų93.732%0.31947%0.474SS..Hα-helixtrans-70.1-41.4176.4-71.8179.3000111.1Y242 I243 E244 E248 M249 M250Y242-L246 HydrophobicContact CD1-CD1 3.89Å; Y242-L246 HydrophobicContact CE1-CD1 3.38Å; Y242-L246 HydrophobicContact CE1-CG 4.26Å; Y242-L246 HydrophobicContact CE2-CD1 4.28Å; Y242-L246 HydrophobicContact CE2-CD2 4.48Å; Y242-L246 HydrophobicContact CE2-CG 4.34Å; Y242-L246 WeakPolarHBondContact O-CG 3.17Å; Y242-L246 PolarHBondContact O-N 2.76Å; Y242-L246 VanDerWaalsContact O-N 3.1Å; I243-L246 PolarHBondContact O-N 2.84Å; E244-L246 PolarHBondContact O-N 2.7Å; L246-E248 VanDerWaalsContact C-N 3.35Å; L246-M249 PolarHBondContact O-N 3.46Å; L246-M250 WeakPolarHBondContact O-CB 3.4Å; L246-M250 VanDerWaalsContact O-CG 3.28Å; L246-M250 WeakPolarHBondContact O-CG 3.32Å; L246-M250 PolarHBondContact O-N 3.06Å
247E95.6Very high86.7Confident100 Ų10094.3 Ų94.347%0.46748%0.482SS..Hα-helixtrans-61.1-42.9174.9-72.7178.6170.300111.3I243 E244 M250 H251I243-E247 HydrophobicContact CG2-CG 4.31Å; I243-E247 WeakPolarHBondContact O-CG 3.38Å; I243-E247 PolarHBondContact O-N 2.77Å; E244-E247 PolarHBondContact O-N 3.42Å; E247-M250 PolarHBondContact O-N 3.44Å; E247-H251 WeakPolarHBondContact O-CB 3.19Å; E247-H251 PolarHBondContact O-N 3.39Å; E247-H251 PolarHBondContact O-ND1 3.35Å
248E95.1Very high84.6Confident153 Ų15395.3 Ų95.372%0.71549%0.49SS*.Hα-helixtrans-61.3-44.8175.3-173.7176.2-169.200111.7E244 L246 H251 G252E244-E248 PolarHBondContact O-N 2.8Å; L246-E248 VanDerWaalsContact C-N 3.35Å; E248-H251 PolarHBondContact O-N 2.84Å; E248-G252 PolarHBondContact O-N 3.35Å
249M95Very high82.5Confident126 Ų12697.3 Ų97.362%0.62151%0.512SS*.Hα-helixtrans-64.3-41.4178.2-170.7-177.4-57.100112.3S245 L246 S253S245-M249 PolarHBondContact O-N 3.22Å; S245-M249 VanDerWaalsContact O-N 3.1Å; L246-M249 PolarHBondContact O-N 3.46Å; M249-S253 VanDerWaalsContact O-CB 3.31Å; M249-S253 WeakPolarHBondContact O-CB 3.49Å; M249-S253 PolarHBondContact O-N 2.98Å; M249-S253 PolarHBondContact O-OG 2.79Å
250M93.8Very high80.3Confident135 Ų135102.2 Ų102.267%0.66555%0.545SS*.Hα-helixtrans-66.8-44.3177.2-74.8179.156.300111.8L246 E247 G254L246-M250 WeakPolarHBondContact O-CB 3.4Å; L246-M250 VanDerWaalsContact O-CG 3.28Å; L246-M250 WeakPolarHBondContact O-CG 3.32Å; L246-M250 PolarHBondContact O-N 3.06Å; E247-M250 PolarHBondContact O-N 3.44Å; M250-G254 PolarHBondContact O-N 2.7Å
251H90.8Very high78.1Confident125 Ų125101.6 Ų101.658%0.57955%0.554SS**Hα-helixtrans-75-31.1179.2-64.1136.4000113.1E247 E248 K255E247-H251 WeakPolarHBondContact O-CB 3.19Å; E247-H251 PolarHBondContact O-N 3.39Å; E247-H251 PolarHBondContact O-ND1 3.35Å; E248-H251 PolarHBondContact O-N 2.84Å; H251-K255 PolarHBondContact O-N 3.13Å
252G79.1Confident76Confident39 Ų39102.4 Ų102.440%0.40257%0.566SS.*Hα-helixtrans-66.4-42.2172.500000112.1E248 K255E248-G252 PolarHBondContact O-N 3.35Å; G252-K255 PolarHBondContact O-N 3.42Å
253S65.1Low73.2Confident65 Ų65101.2 Ų101.246%0.45559%0.585SS.*Hα-helixtrans-70.9-31.7176.5-56.90000112.5M249 K255 L256 T257M249-S253 VanDerWaalsContact O-CB 3.31Å; M249-S253 WeakPolarHBondContact O-CB 3.49Å; M249-S253 PolarHBondContact O-N 2.98Å; M249-S253 PolarHBondContact O-OG 2.79Å; S253-K255 VanDerWaalsContact C-N 3.26Å; S253-K255 PolarHBondContact O-N 3.23Å; S253-L256 PolarHBondContact O-N 2.91Å; S253-T257 PolarHBondContact O-N 3.03Å; S253-T257 VanDerWaalsContact O-N 3.15Å; S253-T257 PolarHBondContact O-OG1 3.18Å
254G58Low70.4Confident28 Ų28100.5 Ų100.529%0.28960%0.601SS.*Hα-helixtrans-65.1-24.317500000114.5M250 K258M250-G254 PolarHBondContact O-N 2.7Å; G254-K258 WeakPolarHBondContact O-CB 3.18Å; G254-K258 PolarHBondContact O-N 3.3Å
255K57.8Low67.9Low158 Ų158100 Ų10069%0.68762%0.616SS**Hα-helixtrans-74.6-33.2174.6-65.6173.6-170.9-179.30111.8H251 G252 S253 A259H251-K255 PolarHBondContact O-N 3.13Å; G252-K255 PolarHBondContact O-N 3.42Å; S253-K255 VanDerWaalsContact C-N 3.26Å; S253-K255 PolarHBondContact O-N 3.23Å; K255-A259 WeakPolarHBondContact O-CB 3.43Å; K255-A259 PolarHBondContact O-N 2.74Å
256L56.9Low65.9Low139 Ų139105.6 Ų105.673%0.72864%0.636SS**Hα-helixtrans-77.6-31.5177-67.9171.2000112.3S253S253-L256 PolarHBondContact O-N 2.91Å
257T56.7Low63.3Low96 Ų96108.1 Ų108.159%0.58966%0.656SS**Hα-helixtrans-87.5-30.2179.857.80000113.5S253S253-T257 PolarHBondContact O-N 3.03Å; S253-T257 VanDerWaalsContact O-N 3.15Å; S253-T257 PolarHBondContact O-OG1 3.18Å
258K55Low61Low162 Ų162107.9 Ų107.970%0.70467%0.671SS**Hα-helixtrans-81.3-23.8177.9-163.6164.6-177.7168.80113.7G254 S260G254-K258 WeakPolarHBondContact O-CB 3.18Å; G254-K258 PolarHBondContact O-N 3.3Å; K258-S260 VanDerWaalsContact C-N 3.28Å
259A53.1Low58.8Low79 Ų79105.8 Ų105.865%0.65367%0.671SS**THydrogen-bonded Turntrans-72.4-18.9170.900000113.4K255K255-A259 WeakPolarHBondContact O-CB 3.43Å; K255-A259 PolarHBondContact O-N 2.74Å
260S51.5Low56.6Low112 Ų112106 Ų10678%0.78368%0.679SS**THydrogen-bonded Turntrans-94.9-6.2175.8-87.80000114.9K258K258-S260 VanDerWaalsContact C-N 3.28Å
261A52.8Low54.4Low81 Ų81107.4 Ų107.467%0.66969%0.689SS**THydrogen-bonded Turntrans-106.8-6.9-175.200000114.8
262V52.5Low52Low126 Ų126105.7 Ų105.776%0.76470%0.697SS**SBendtrans-137.681179.6-178.90000109.4
263G40.3Very low50.5Low79 Ų79109.9 Ų109.981%0.81472%0.72SS**  trans151.191.9172.600000112.6
264G39.2Very low49.6Very low76 Ų76115.5 Ų115.578%0.78474%0.739SS**  trans164.850.617400000116.3Q266G264-Q266 VanDerWaalsContact C-N 3.35Å; G264-Q266 PolarHBondContact O-N 3.06Å
265A44.2Very low48.9Very low104 Ų104121.7 Ų121.786%0.8677%0.766SS**  trans-80.482.7160.500000109.3
266Q53.8Low48.1Very low173 Ų173123 Ų12381%0.80877%0.774SS**  trans-155.4126.4163.3-86.5-69.6-5.200108.5G264G264-Q266 VanDerWaalsContact C-N 3.35Å; G264-Q266 PolarHBondContact O-N 3.06Å
267P42.8Very low47.5Very low115 Ų115119.7 Ų119.775%0.74777%0.774SS**  trans-97.6143.5-175.335.4-29.9000114.3
268A47.6Very low46.7Very low94 Ų94121.1 Ų121.178%0.77779%0.788SS**  trans82.8164.4143.500000119.3
269P48.7Very low46.5Very low110 Ų110118 Ų11871%0.71479%0.793SS**  -134.5-170.7-78.436.3-17.4000112.7
270V49.6Very low45.9Very low130 Ų130121.9 Ų121.979%0.78880%0.797SS**  trans96.5102164.6-40.70000117.6
271N46.4Very low45.7Very low164 Ų164125.4 Ų125.488%0.87780%0.798SS**  -172139.199.8-127.9-22.6000111.9
272A40.5Very low45.7Very low89 Ų89127.6 Ų127.674%0.73680%0.797SS**  trans-79.7139.4179.700000111.7
273S48.7Very low45.4Very low128 Ų128125.7 Ų125.790%0.89579%0.794SS**  trans-158.4129.4138.1-144.30000110.6
274Q45.5Very low45.9Very low183 Ų183127.4 Ų127.486%0.85579%0.788SS**  trans-78.3136.2-171.8-62.5159.1-17.500110.1
275N43.2Very low46.2Very low158 Ų158131.3 Ų131.385%0.84579%0.791SS**  trans-153.5103.2144.9-166.76000109.8
276E41.8Very low46Very low184 Ų184130.1 Ų130.186%0.8679%0.789SS**  trans-72.8118.7174.1-63.1-83.5142.200109
277G43.6Very low45.1Very low71 Ų71125.6 Ų125.673%0.73279%0.789SS**  trans-142.579.8176.100000109.9A279G277-A279 PolarHBondContact O-N 2.95Å; G277-A279 VanDerWaalsContact O-N 3.13Å
278S40.6Very low44.7Very low125 Ų125125.8 Ų125.887%0.87479%0.793SS**  trans-57.7104.7177.153.70000111.8
279A49.4Very low44.5Very low98 Ų98129.8 Ų129.881%0.8179%0.793SS**  trans-104.695.3166.200000109.2G277 F281G277-A279 PolarHBondContact O-N 2.95Å; G277-A279 VanDerWaalsContact O-N 3.13Å; A279-F281 PolarHBondContact O-N 3.4Å; A279-F281 VanDerWaalsContact O-N 3.17Å
280E41.2Very low44.1Very low159 Ų159135.4 Ų135.474%0.74380%0.802SS**  trans-58.6100.3170.7-174.4177.3156.800110.5M282E280-M282 HydrophobicContact CG-CG 4.41Å; E280-M282 PolarHBondContact O-N 3.12Å; E280-M282 WeakPolarHBondContact OE1-CE 3.43Å
281F46.7Very low43.7Very low186 Ų186138.1 Ų138.182%0.81681%0.806SS**  trans-78.597.6169173-100.8000108.8A279 A283A279-F281 PolarHBondContact O-N 3.4Å; A279-F281 VanDerWaalsContact O-N 3.17Å; F281-A283 HydrophobicContact CE1-CB 4.1Å; F281-A283 PolarHBondContact O-N 3.34Å; F281-A283 VanDerWaalsContact O-N 3.1Å
282M53.2Low43.1Very low128 Ų128136 Ų13663%0.63180%0.804SS**  trans-67.8102.4169.6-70-167.2-18000110E280 V284E280-M282 HydrophobicContact CG-CG 4.41Å; E280-M282 PolarHBondContact O-N 3.12Å; E280-M282 WeakPolarHBondContact OE1-CE 3.43Å; M282-V284 VanDerWaalsContact C-N 3.33Å; M282-V284 PolarHBondContact O-N 3.44Å
283A47.3Very low43.1Very low86 Ų86137.1 Ų137.171%0.71181%0.807SS**  trans-69.788.5163.500000109.6F281F281-A283 HydrophobicContact CE1-CB 4.1Å; F281-A283 PolarHBondContact O-N 3.34Å; F281-A283 VanDerWaalsContact O-N 3.1Å
284V49.4Very low42.7Very low115 Ų115140 Ų14070%0.69781%0.806SS**  trans-97.4126170.2-96.60000110.1M282M282-V284 VanDerWaalsContact C-N 3.33Å; M282-V284 PolarHBondContact O-N 3.44Å
285N46.6Very low42.5Very low157 Ų157140.1 Ų140.184%0.8481%0.807SS**  trans89.949.2168.9-60.4-52.4000119.2
286G39Very low42.6Very low80 Ų80142.6 Ų142.683%0.82581%0.81SS**  trans-103.174.2153.500000111.2S288G286-S288 PolarHBondContact O-N 3.49Å
287G35.3Very low42.3Very low78 Ų78141 Ų14180%0.80481%0.812SS**  trans-61119.5178.400000112.2F289G287-F289 PolarHBondContact O-N 3.12Å
288S35.4Very low42.2Very low118 Ų118145 Ų14583%0.82582%0.816SS**  trans-58.8112.1175-1780000112.1G286G286-S288 PolarHBondContact O-N 3.49Å
289F42.9Very low42Very low179 Ų179143.5 Ų143.579%0.78581%0.805SS**  trans-152.559.4156.2-171.7-98.9000109.1G287G287-F289 PolarHBondContact O-N 3.12Å
290Y39.2Very low41.9Very low228 Ų228145.3 Ų145.389%0.89481%0.806SS**  trans-155.995.4159.6-90.6-73.8000107.5
291Q40.8Very low41.8Very low186 Ų186149.4 Ų149.487%0.86982%0.817SS**  trans-136.3125.3165.1-159.8173.539.500108.3
292S34.8Very low41.5Very low121 Ų121143.6 Ų143.685%0.84681%0.809SS**  trans71.2121171.1-117.80000115.8
293S41.3Very low40.6Very low112 Ų112145.7 Ų145.778%0.78382%0.823SS**  cis-147139.837.349.50000111.9
294E39.3Very low40.6Very low187 Ų187147.8 Ų147.887%0.87483%0.826SS**  trans-67.4174.9-179.5-58.9177.2134.600112.8
295E41Very low40.3Very low187 Ų187151.3 Ų151.387%0.87484%0.835SS**  trans87.858.4174.4-53.1-164.1133.600118.3
296K44.9Very low40.2Very low209 Ų209150.2 Ų150.291%0.90983%0.834SS**  trans-167.927.4143.8-115.2176.1-168.9-164.70117.5L298K296-L298 PolarHBondContact O-N 2.98Å
297V37.2Very low40.7Very low152 Ų152151.5 Ų151.592%0.92183%0.828SS**  trans-90.484.8172.6-172.10000109.1
298L40.4Very low41Very low154 Ų154154.9 Ų154.981%0.80683%0.833SS**  trans-117.498.8162.6-163.868.8000108.7K296K296-L298 PolarHBondContact O-N 2.98Å
299S37.1Very low41.4Very low93 Ų93154.1 Ų154.165%0.6583%0.827SS**  trans17.8110.8150.660.40000118.8
300V46.8Very low41.5Very low136 Ų136152.8 Ų152.882%0.82483%0.834SS**  trans-142.380.3146.7-171.90000109.4
301Y38.6Very low41.7Very low246 Ų246151 Ų15197%0.96583%0.833SS**  trans-130.4113.9145.9-92.1-84.1000104.7
302G41.8Very low42Very low64 Ų64149.2 Ų149.266%0.6683%0.825SS**SBendtrans148.1106.4-178.700000111.5V304G302-V304 PolarHBondContact O-N 2.93Å
303D34.4Very low42.6Very low171 Ų171152.4 Ų152.491%0.91483%0.826SS**  trans-44.2118.9174-64-70.6000113.6
304V46.3Very low42.8Very low130 Ų130156.1 Ų156.179%0.78883%0.831SS**  trans-146.4125.9156.7-174.20000109G302 V306G302-V304 PolarHBondContact O-N 2.93Å; V304-V306 PolarHBondContact O-N 3.05Å
305E42.3Very low43.1Very low189 Ų189151 Ų15188%0.88382%0.821SS**  trans-48.4125.4178.4-57.4169.3134.900112.1P307E305-P307 WeakPolarHBondContact O-CD 3.25Å
306V45.9Very low43.4Very low135 Ų135149.4 Ų149.482%0.81881%0.814SS**  trans-91.6115.9179.3-178.50000109.6V304V304-V306 PolarHBondContact O-N 3.05Å
307P48Very low43.7Very low107 Ų107148.6 Ų148.670%0.69581%0.813SS**  trans-74.4132.4177.528.9-30.9000111.3E305 S309E305-P307 WeakPolarHBondContact O-CD 3.25Å; P307-S309 PolarHBondContact O-N 2.92Å
308V42.2Very low44.2Very low149 Ų149150.2 Ų150.290%0.90381%0.81SS**SBendtrans-6599.8172171.90000109.5
309S43.5Very low44.8Very low102 Ų102151 Ų15171%0.71381%0.81SS**  trans-17346.3162.9570000115.6P307P307-S309 PolarHBondContact O-N 2.92Å
310V46.2Very low45.4Very low151 Ų151155.1 Ų155.192%0.91582%0.819SS**SBendtrans-147.752.6159.7-161.30000110.5
311Q43.6Very low45.5Very low190 Ų190157.1 Ų157.189%0.88882%0.82SS**  trans-131.146.2176.3-163.4161.811.800111.3
312Q46.9Very low45.8Very low149 Ų149155.6 Ų155.670%0.69682%0.818SS**SBendtrans-135.2-4.8-176.5-161.276.665.100115.1
313Q46.6Very low45.6Very low187 Ų187158.2 Ų158.287%0.87483%0.826SS**SBendtrans-112.7-4.1-171.9-71.8-173.8-3.600117.1
314H46.5Very low45.7Very low190 Ų190153.7 Ų153.788%0.8882%0.82SS**SBendtrans-117.55.3176.9-93-100.6000114.9
315A44.2Very low45.4Very low81 Ų81151.9 Ų151.967%0.66982%0.819SS**SBendtrans-104.43.3-17700000114.7
316Q48.8Very low45.1Very low153 Ų153154.8 Ų154.872%0.71582%0.822SS**SBendtrans-106.20.8-174.6-120.5170.923.500115.5
317Q49.6Very low45.2Very low191 Ų191159.2 Ų159.289%0.89382%0.824SS**SBendtrans-106.11.5-177.2-153.1166.643.700115.1
318Q49.1Very low44.9Very low186 Ų186160.2 Ų160.287%0.86983%0.833SS**SBendtrans-109.97.9-179.7-76.8-175.622.400115.1
319Q51.8Low44.6Very low172 Ų172157.1 Ų157.180%0.80483%0.831SS**SBendtrans-107.614-171.2-146.6163.321.200115.8
320Q50.2Low44.4Very low179 Ų179155.9 Ų155.984%0.83684%0.835SS**SBendtrans-115.612.9-175.3-71.4-170.439.800116.8
321Q49.7Very low43.9Very low178 Ų178157.1 Ų157.183%0.83284%0.836SS**SBendtrans-129.88.4-175.9-64.3-168.718.600117.3
322F43.6Very low43.9Very low214 Ų214151.7 Ų151.794%0.93983%0.832SS**  trans-116.163.3176.5-78.7-79.8000112.5
323S38.1Very low43.7Very low118 Ų118153.8 Ų153.883%0.82584%0.844SS**  trans-14290.6165.255.70000109
324G36.4Very low43.3Very low76 Ų76152.7 Ų152.778%0.78484%0.837SS**  trans171108.2176.300000114.4
325A39.3Very low42.9Very low93 Ų93151.1 Ų151.177%0.76983%0.829SS**  trans73.875.1153.200000118.6R327A325-R327 PolarHBondContact O-N 3.06Å
326R36.6Very low42.6Very low249 Ų249156.3 Ų156.394%0.9484%0.84SS**  trans-63.1113.1137.8-65.9-170.4178.6-145.71.6109
327R47.9Very low42.2Very low229 Ų229153.7 Ų153.786%0.86485%0.845SS**  trans-149.298.3158.4-64.9-167.2178.7-131.6-0.8106A325A325-R327 PolarHBondContact O-N 3.06Å
328S43Very low41.6Very low127 Ų127151.8 Ų151.889%0.88884%0.84SS**  59.212088.2-154.30000111.9
329G34.9Very low41.3Very low84 Ų84148.1 Ų148.187%0.86684%0.835SS**  trans-65.8174-16500000116.5
330G39Very low40.6Very low77 Ų77147.7 Ų147.779%0.79484%0.839SS**  trans162.5101.6175.400000110.2
331D36.9Very low39.8Very low176 Ų176142.4 Ų142.494%0.94183%0.832SS**  trans-55.9139.1165.2-61.1-63.3000110.7
332G42.8Very low39.1Very low77 Ų77144 Ų14479%0.79484%0.84SS**  trans-170.7109177.800000112.2
333M42.8Very low38.6Very low192 Ų192136.9 Ų136.995%0.94683%0.826SS**  trans-59.5167.1173.7-64.8174.583.700112.9
334F38.6Very low38.7Very low165 Ų165135.4 Ų135.472%0.72483%0.83SS**  trans101.599.7144.4-166-96.7000118.2
335E38.6Very low39.4Very low156 Ų156136 Ų13673%0.72983%0.828SS**  82.4147.2123.2-144.6153.3115.900121.3
336Q36.7Very low40.2Very low190 Ų190136.3 Ų136.389%0.88883%0.83SS**  trans-82.6128.4-162176.5176.762.100111
337A40.9Very low41.6Very low99 Ų99129.3 Ų129.382%0.81882%0.815SS**  trans-155.7130153.600000111.2
338N37.8Very low43Very low150 Ų150121.1 Ų121.180%0.80279%0.793SS**  trans-70.2131-179.4-174.45.5000111.4
339S42.7Very low44.9Very low109 Ų109119.7 Ų119.776%0.76278%0.782SS**  trans-157122154.461.70000111.2G341S339-G341 PolarHBondContact O-N 3.43Å
340N35.6Very low47.4Very low164 Ų164121.4 Ų121.488%0.87777%0.771SS**  trans-43.4123.1170.2-59-48.2000112
341G33.4Very low49.6Very low68 Ų68122.2 Ų122.270%0.70176%0.757SS**  trans-156.9110.2171.700000108.5S339 G343S339-G341 PolarHBondContact O-N 3.43Å; G341-G343 PolarHBondContact O-N 3.29Å
342E36.1Very low51.8Low212 Ų212116.7 Ų116.799%0.99173%0.732SS**  trans-50.6107.8175.3-68.6165.9108.700110.4
343G33.6Very low53.9Low63 Ų63117.9 Ų117.965%0.64972%0.719SS**  trans-159115.2179.100000108.9G341 A345G341-G343 PolarHBondContact O-N 3.29Å; G343-A345 PolarHBondContact O-N 2.93Å
344G40.2Very low56Low87 Ų87111.7 Ų111.790%0.89770%0.695SS**  trans-46.9105.9-174.200000112A346G344-A346 PolarHBondContact O-N 3.06Å
345A50.4Low58.2Low90 Ų90110.2 Ų110.274%0.74469%0.69SS**  trans-64.7110.6-178.200000108.5G343 V347G343-A345 PolarHBondContact O-N 2.93Å; A345-V347 PolarHBondContact O-N 3.36Å
346A55.7Low60.5Low98 Ų98106.7 Ų106.781%0.8168%0.676SS**  trans-55108.5164.800000107G344 S348G344-A346 PolarHBondContact O-N 3.06Å; A346-S348 PolarHBondContact O-N 2.81Å
347V66.2Low62.8Low103 Ų103102 Ų10262%0.62466%0.66SS**  trans-52.5114.4-178.7-171.10000107.1A345 S349 D351A345-V347 PolarHBondContact O-N 3.36Å; V347-S349 PolarHBondContact O-N 3.29Å; V347-D351 HydrophobicContact CG1-CB 3.84Å
348S76.9Confident64.9Low57 Ų57103.7 Ų103.740%0.39965%0.651SS.*  trans-57.7140.6179.9178.80000107.9A346 L350 D351 C352A346-S348 PolarHBondContact O-N 2.81Å; S348-L350 PolarHBondContact O-N 3.02Å; S348-L350 PolarHBondContact OG-N 3.25Å; S348-D351 PolarHBondContact O-N 3.03Å; S348-C352 PolarHBondContact O-N 2.83Å
349S83Confident67.1Low96 Ų9699.2 Ų99.267%0.67163%0.631SS**Hα-helixtrans-52.7-25.1173.652.80000111.7V347 L353V347-S349 PolarHBondContact O-N 3.29Å; S349-L353 WeakPolarHBondContact O-CB 3.47Å; S349-L353 WeakPolarHBondContact O-CD1 3.35Å; S349-L353 WeakPolarHBondContact O-CG 3.44Å; S349-L353 PolarHBondContact O-N 2.99Å; S349-L353 VanDerWaalsContact O-N 3.12Å
350L86.8Confident68.8Low121 Ų12198.7 Ų98.763%0.63462%0.619SS**Hα-helixtrans-69.1-42.7172.8-160.879.2000112.9S348 L353 S354S348-L350 PolarHBondContact O-N 3.02Å; S348-L350 PolarHBondContact OG-N 3.25Å; L350-L353 PolarHBondContact O-N 3.39Å; L350-S354 PolarHBondContact O-N 3.49Å; L350-S354 PolarHBondContact O-OG 3.48Å
351D85Confident70.8Confident93 Ų9394.4 Ų94.450%0.49760%0.602SS.*Hα-helixtrans-69.2-37.2177.2-72-45.7000111.9V347 S348 L353 S354 Q355V347-D351 HydrophobicContact CG1-CB 3.84Å; S348-D351 PolarHBondContact O-N 3.03Å; D351-L353 VanDerWaalsContact C-N 3.35Å; D351-S354 PolarHBondContact O-N 3.34Å; D351-Q355 PolarHBondContact O-N 2.95Å
352C85.2Confident72.3Confident60 Ų6095.2 Ų95.241%0.40559%0.593SS.*Hα-helixtrans-61.6-43.4172.4-178.70000111.3S348 Q355 I356S348-C352 PolarHBondContact O-N 2.83Å; C352-Q355 PolarHBondContact O-N 3.18Å; C352-I356 WeakPolarHBondContact O-CD1 3.17Å; C352-I356 VanDerWaalsContact O-CG1 3.25Å; C352-I356 WeakPolarHBondContact O-CG1 3.4Å; C352-I356 PolarHBondContact O-N 2.88Å; C352-I356 VanDerWaalsContact O-N 3.12Å
353L85.3Confident73.3Confident103 Ų10390.7 Ų90.754%0.53957%0.572SS.*Hα-helixtrans-67.7-38.8175.9-72170.4000112.4S349 L350 D351 I356 V357S349-L353 WeakPolarHBondContact O-CB 3.47Å; S349-L353 WeakPolarHBondContact O-CD1 3.35Å; S349-L353 WeakPolarHBondContact O-CG 3.44Å; S349-L353 PolarHBondContact O-N 2.99Å; S349-L353 VanDerWaalsContact O-N 3.12Å; L350-L353 PolarHBondContact O-N 3.39Å; D351-L353 VanDerWaalsContact C-N 3.35Å; L353-I356 PolarHBondContact O-N 2.93Å; L353-V357 WeakPolarHBondContact O-CG2 3.32Å; L353-V357 PolarHBondContact O-N 2.93Å
354S87.4Confident74.4Confident61 Ų6195.2 Ų95.243%0.42757%0.574SS.*Hα-helixtrans-62-44.6174.5-700000111.9L350 D351 I356 V357 E358L350-S354 PolarHBondContact O-N 3.49Å; L350-S354 PolarHBondContact O-OG 3.48Å; D351-S354 PolarHBondContact O-N 3.34Å; S354-I356 VanDerWaalsContact C-N 3.32Å; S354-I356 PolarHBondContact O-N 3.38Å; S354-V357 PolarHBondContact O-N 3.13Å; S354-E358 WeakPolarHBondContact O-CB 3.34Å; S354-E358 PolarHBondContact O-N 2.64Å
355Q85.7Confident75Confident135 Ų13598.9 Ų98.963%0.63157%0.565SS**Hα-helixtrans-59.9-39.6174.2-95.3179.43.100112.7D351 C352 S359D351-Q355 PolarHBondContact O-N 2.95Å; C352-Q355 PolarHBondContact O-N 3.18Å; Q355-S359 WeakPolarHBondContact O-CB 3.33Å; Q355-S359 PolarHBondContact O-N 3.1Å; Q355-S359 PolarHBondContact O-OG 3.48Å
356I85.9Confident75.1Confident82 Ų8298.4 Ų98.442%0.42156%0.556SS.*Hα-helixtrans-65.9-44.3176.9-67.4163.5000110.7C352 L353 S354 E358 S359 I360C352-I356 WeakPolarHBondContact O-CD1 3.17Å; C352-I356 VanDerWaalsContact O-CG1 3.25Å; C352-I356 WeakPolarHBondContact O-CG1 3.4Å; C352-I356 PolarHBondContact O-N 2.88Å; C352-I356 VanDerWaalsContact O-N 3.12Å; L353-I356 PolarHBondContact O-N 2.93Å; S354-I356 VanDerWaalsContact C-N 3.32Å; S354-I356 PolarHBondContact O-N 3.38Å; I356-E358 PolarHBondContact O-N 2.82Å; I356-S359 WeakPolarHBondContact CA-OG 3.23Å; I356-S359 PolarHBondContact O-N 2.67Å; I356-S359 PolarHBondContact O-OG 3.45Å; I356-I360 HydrophobicContact CG2-CD1 3.74Å; I356-I360 WeakPolarHBondContact O-CD1 3.46Å; I356-I360 WeakPolarHBondContact O-CG1 3.1Å; I356-I360 PolarHBondContact O-N 2.93Å
357V85.8Confident74.8Confident92 Ų9299.9 Ų99.956%0.55855%0.548SS*.Hα-helixtrans-66.7-37.5179.4173.50000111.9L353 S354 S361L353-V357 WeakPolarHBondContact O-CG2 3.32Å; L353-V357 PolarHBondContact O-N 2.93Å; S354-V357 PolarHBondContact O-N 3.13Å; V357-S361 WeakPolarHBondContact O-CB 3.36Å; V357-S361 PolarHBondContact O-N 3.02Å; V357-S361 PolarHBondContact O-OG 3.49Å
358E85Confident74.1Confident134 Ų134100.4 Ų100.463%0.62655%0.551SS**Hα-helixtrans-73.3-36.8179.2-160.5160.2-152.200112.1S354 I356 S361 T362S354-E358 WeakPolarHBondContact O-CB 3.34Å; S354-E358 PolarHBondContact O-N 2.64Å; I356-E358 PolarHBondContact O-N 2.82Å; E358-S361 PolarHBondContact O-N 3.35Å; E358-T362 WeakPolarHBondContact O-CB 3.34Å; E358-T362 WeakPolarHBondContact O-CG2 3.37Å; E358-T362 PolarHBondContact O-N 2.88Å; E358-T362 PolarHBondContact O-OG1 3.26Å
359S83.6Confident72.8Confident56 Ų56104.8 Ų104.839%0.39257%0.569SS.*Hα-helixtrans-69-34.7172.647.80000113.1Q355 I356 T362 Q363Q355-S359 WeakPolarHBondContact O-CB 3.33Å; Q355-S359 PolarHBondContact O-N 3.1Å; Q355-S359 PolarHBondContact O-OG 3.48Å; I356-S359 WeakPolarHBondContact CA-OG 3.23Å; I356-S359 PolarHBondContact O-N 2.67Å; I356-S359 PolarHBondContact O-OG 3.45Å; S359-T362 WeakPolarHBondContact CA-OG1 3.35Å; S359-T362 PolarHBondContact O-OG1 3.02Å; S359-T362 VanDerWaalsContact O-OG1 3.1Å; S359-Q363 WeakPolarHBondContact O-CB 3.44Å; S359-Q363 PolarHBondContact O-N 2.95Å
360I79Confident70.8Confident97 Ų97107 Ų10750%0.49757%0.573SS.*Hα-helixtrans-68.1-39171.9-65.5162.8000111.1I356 K364I356-I360 HydrophobicContact CG2-CD1 3.74Å; I356-I360 WeakPolarHBondContact O-CD1 3.46Å; I356-I360 WeakPolarHBondContact O-CG1 3.1Å; I356-I360 PolarHBondContact O-N 2.93Å; I360-K364 WeakPolarHBondContact O-CB 3.34Å; I360-K364 PolarHBondContact O-N 2.84Å
361S76.3Confident68.7Low75 Ų75109.5 Ų109.552%0.52458%0.582SS.*Hα-helixtrans-69.2-35.3178.6-62.70000112.5V357 E358 K365V357-S361 WeakPolarHBondContact O-CB 3.36Å; V357-S361 PolarHBondContact O-N 3.02Å; V357-S361 PolarHBondContact O-OG 3.49Å; E358-S361 PolarHBondContact O-N 3.35Å; S361-K365 PolarHBondContact O-N 2.97Å
362T65.5Low66.5Low84 Ų84113.3 Ų113.352%0.51560%0.602SS.*Hα-helixtrans-78.3-36.3175.751.70000112.6E358 S359 K364 K365 S366E358-T362 WeakPolarHBondContact O-CB 3.34Å; E358-T362 WeakPolarHBondContact O-CG2 3.37Å; E358-T362 PolarHBondContact O-N 2.88Å; E358-T362 PolarHBondContact O-OG1 3.26Å; S359-T362 WeakPolarHBondContact CA-OG1 3.35Å; S359-T362 PolarHBondContact O-OG1 3.02Å; S359-T362 VanDerWaalsContact O-OG1 3.1Å; T362-K364 VanDerWaalsContact C-N 3.34Å; T362-K364 PolarHBondContact O-N 3.21Å; T362-K365 PolarHBondContact O-N 2.9Å; T362-K365 VanDerWaalsContact O-N 3.14Å; T362-S366 WeakPolarHBondContact O-CB 3.35Å; T362-S366 PolarHBondContact O-N 3.39Å
363Q57.9Low64.2Low117 Ų117114.4 Ų114.455%0.54762%0.623SS.*Hα-helixtrans-63.4-38.4170-91-173.9-11.100112S359 K365 S366 M367S359-Q363 WeakPolarHBondContact O-CB 3.44Å; S359-Q363 PolarHBondContact O-N 2.95Å; Q363-K365 VanDerWaalsContact C-N 3.26Å; Q363-K365 PolarHBondContact O-N 3.24Å; Q363-S366 PolarHBondContact O-N 2.89Å; Q363-M367 WeakPolarHBondContact O-CB 3.5Å; Q363-M367 WeakPolarHBondContact O-CG 3.46Å; Q363-M367 PolarHBondContact O-N 2.87Å
364K55.4Low62Low158 Ų158120.1 Ų120.169%0.68764%0.644SS**Hα-helixtrans-66.7-28.1174.1-167172.6179.3175.60112.3I360 T362 V368I360-K364 WeakPolarHBondContact O-CB 3.34Å; I360-K364 PolarHBondContact O-N 2.84Å; T362-K364 VanDerWaalsContact C-N 3.34Å; T362-K364 PolarHBondContact O-N 3.21Å; K364-V368 WeakPolarHBondContact O-CG2 3.02Å
365K53.1Low59.5Low164 Ų164120 Ų12071%0.71365%0.652SS**Hα-helixtrans-79.4-27.7173.2-160.1169.1-176.6174.90112.9S361 T362 Q363S361-K365 PolarHBondContact O-N 2.97Å; T362-K365 PolarHBondContact O-N 2.9Å; T362-K365 VanDerWaalsContact O-N 3.14Å; Q363-K365 VanDerWaalsContact C-N 3.26Å; Q363-K365 PolarHBondContact O-N 3.24Å
366S51.6Low57.2Low81 Ų81121.6 Ų121.657%0.56667%0.666SS**Hα-helixtrans-80.9-34.5176.11660000113.3T362 Q363T362-S366 WeakPolarHBondContact O-CB 3.35Å; T362-S366 PolarHBondContact O-N 3.39Å; Q363-S366 PolarHBondContact O-N 2.89Å
367M50.6Low54.8Low129 Ų129121.2 Ų121.264%0.63568%0.681SS**Hα-helixtrans-75.6-23.5177.3-70.6-178.3176.500113Q363 L369Q363-M367 WeakPolarHBondContact O-CB 3.5Å; Q363-M367 WeakPolarHBondContact O-CG 3.46Å; Q363-M367 PolarHBondContact O-N 2.87Å; M367-L369 VanDerWaalsContact C-N 3.29Å; M367-L369 PolarHBondContact O-N 3.14Å
368V51.9Low52.5Low113 Ų113125.5 Ų125.569%0.68570%0.695SS**THydrogen-bonded Turntrans-83.9-3.1179.1-178.70000112.4K364K364-V368 WeakPolarHBondContact O-CG2 3.02Å
369L49.2Very low50.2Low149 Ų149125.8 Ų125.878%0.7870%0.7SS**THydrogen-bonded Turntrans-110.76.4175.7-71.1175.7000114.2M367M367-L369 VanDerWaalsContact C-N 3.29Å; M367-L369 PolarHBondContact O-N 3.14Å
370N40.7Very low48.1Very low142 Ų142130 Ų13076%0.75972%0.717SS**  trans-11920.7-175.2-156.253.7000114.6
371E42.6Very low46.2Very low175 Ų175133 Ų13382%0.81873%0.728SS**  trans-11276.9171.7-64.5-153.2126.600109.1
372N38.7Very low44.5Very low173 Ų173136.7 Ų136.793%0.92574%0.741SS**  trans-171100.9163.4-89.4-18.2000108.7
373G37.1Very low43.4Very low82 Ų82136.3 Ų136.385%0.84575%0.753SS**  trans16375.1171.600000116.5
374F38.4Very low42.7Very low223 Ų223136.4 Ų136.498%0.97877%0.767SS**  trans-65.9147.3162.5-93.3-105.9000111.8
375G36Very low42.7Very low58 Ų58134.5 Ų134.560%0.59877%0.771SS**  trans108.2116.1134.900000118.9
376N38.1Very low42.4Very low170 Ų170131.5 Ų131.591%0.90977%0.77SS**  trans90.6128.2137.6-54.1-26.4000118
377G34.7Very low42.1Very low73 Ų73133.9 Ų133.975%0.75378%0.782SS**  trans-83.4-173.8-177.700000113.7
378Q37.2Very low42.3Very low182 Ų182133.1 Ų133.185%0.8579%0.789SS**  trans77.4121.4171.4-78.7-176.1-8.100117.7
379I37.5Very low41.8Very low140 Ų140135.9 Ų135.972%0.71880%0.8SS**  trans87.898142.6-60.8160.1000116.6
380I39Very low41.6Very low145 Ų145132.5 Ų132.574%0.74480%0.801SS**  34130121.5-56175.2000118.5
381E38.3Very low41.8Very low159 Ų159130.3 Ų130.374%0.74380%0.803SS**  trans89.6110153.9-84.7-169.2159.300121.4
382I41.4Very low42Very low154 Ų154128.6 Ų128.679%0.7980%0.804SS**  58.8115.8127.5-53.3164.6000118.2
383G41.8Very low42.2Very low75 Ų75127 Ų12777%0.77380%0.802SS**  trans139.9104.5149.200000115
384S43.8Very low42.6Very low119 Ų119126.9 Ų126.983%0.83280%0.8SS**  trans-74.9-172.3170.7-46.10000111.9
385P55.8Low42.7Very low118 Ų118122.8 Ų122.877%0.76679%0.793SS**  -128.8-178.8-95.836.9-16.9000112.2
386S45.2Very low43.2Very low101 Ų101127.8 Ų127.871%0.70681%0.805SS**  trans166.4125.9137.553.60000115
387T45.9Very low43.6Very low132 Ų132125.9 Ų125.981%0.8180%0.799SS**  trans53.8134.9134.566.70000119
388S55.3Low44.4Very low113 Ų113128.5 Ų128.579%0.7980%0.803SS**  cis-173158.846.550.40000112
389D41.2Very low44.6Very low170 Ų170128.3 Ų128.391%0.90980%0.803SS**  trans-56.8159.4178-62-70.1000117.4
390G46Very low44.9Very low78 Ų78125.9 Ų125.980%0.80480%0.798SS**  trans-177.591.1164.700000113.5
391A43.2Very low45Very low97 Ų97126 Ų12680%0.80280%0.8SS**  trans-62.4151.2175.700000113.7
392T48.5Very low45.4Very low138 Ų138126 Ų12685%0.84780%0.804SS**  trans-166.5130.1136.6-73.60000110.9
393T41.3Very low45.6Very low141 Ų141124.5 Ų124.587%0.86581%0.806SS**  trans-66.2142.3175.740.50000114.2
394G45.5Very low46.4Very low78 Ų78125.7 Ų125.780%0.80480%0.8SS**  trans-159.698168.300000111.9
395V40Very low46.5Very low137 Ų137132.1 Ų132.183%0.8381%0.807SS**  trans-50.6145166.6166.30000110.6
396L46.9Very low45.9Very low164 Ų164129.6 Ų129.686%0.85980%0.802SS**  trans178.5114.4137.6-90.7177.9000110.3
397T46.3Very low45.7Very low129 Ų129132.2 Ų132.279%0.79181%0.808SS**  trans-74160.5162.143.30000111.2
398P52.4Low45.9Very low129 Ų129133.9 Ų133.984%0.83881%0.811SS**  trans-138.2153.6130.131.5-15000115.3
399Q40.9Very low45.4Very low178 Ų178133 Ų13383%0.83281%0.805SS**  trans-77.1160.5179.1-78.4-177.3-22.800114.4
400S44.3Very low45.9Very low89 Ų89132.8 Ų132.862%0.62280%0.803SS**  77132.2129.659.50000122.9
401D40.1Very low46.1Very low147 Ų147133.6 Ų133.679%0.78680%0.803SS**  trans78.9123.3143.6-63.9-33.3000119.6
402I47.9Very low46.6Very low160 Ų160138.2 Ų138.282%0.82181%0.808SS**  -173.3118.5121.3-85.4143.9000108.7
403S45.4Very low46.6Very low121 Ų121136.6 Ų136.685%0.84680%0.802SS**  trans-112.6151.7151.6-82.10000108.2
404P58.7Low47.5Very low100 Ų100136.5 Ų136.565%0.64980%0.802SS**  trans-139.3140.6151.331.6-14.1000115.1
405R44.7Very low47.8Very low255 Ų255141.6 Ų141.696%0.96280%0.804SS**  trans66.4141.8135.1-64.7176.5154-170-8.1119.1
406G43.7Very low48.5Very low64 Ų64142.3 Ų142.366%0.6680%0.804SS**  cis137.2122.67.400000111.3
407N41.6Very low49.2Very low156 Ų156139.6 Ų139.683%0.83480%0.798SS**  trans61.6135.5151.3-53.6-9.8000122.2
408L50.4Low49.8Very low168 Ų168139.1 Ų139.188%0.8880%0.797SS**  171.3157102.8-92.8155.3000112
409S43.6Very low49.9Very low95 Ų95144.5 Ų144.566%0.66480%0.801SS**  trans-131.9139.5-162.146.50000110.1
410D53.2Low50.6Low164 Ų164140.6 Ų140.688%0.87780%0.799SS**  trans-160.8124.8164-72.9-57.1000106.6
411A49.9Very low51.3Low95 Ų95141.7 Ų141.779%0.78581%0.807SS**  96.8146.750.800000113.3
412E53.8Low52.5Low194 Ų194140.5 Ų140.591%0.90781%0.807SS**  trans96.7101.4170.8-136.5161.7102.900116.6
413S49Very low53.3Low105 Ų105138.1 Ų138.173%0.73480%0.802SS**  85113.358.1-167.90000114.1
414T60.2Low53.7Low139 Ų139139.9 Ų139.985%0.85380%0.802SS**  trans-176.6121.9133.1-700000110.4
415Q51Low54.2Low184 Ų184143.1 Ų143.186%0.8681%0.808SS**  trans-94.6147.7170-62.3172.9-55.400109.7
416D54.5Low55Low153 Ų153138.5 Ų138.582%0.81880%0.799SS**  trans-17697143.2-134-93.4000107.8
417S61.6Low55.9Low106 Ų106143.6 Ų143.674%0.74181%0.806SS**  83147.890.4-82.80000116
418P59.1Low56.7Low119 Ų119149.1 Ų149.177%0.77383%0.827SS**  trans-111.7-178.7-148.338.8-26.1000113
419R53.5Low57.1Low243 Ų243148.2 Ų148.292%0.91782%0.824SS**  trans142.4134.4134.2-166.3158.4-170.8-169.50.6115
420A55.6Low57.8Low95 Ų95151 Ų15179%0.78583%0.833SS**  trans119.393146.600000117.2
421S59.3Low58Low113 Ų113150.3 Ų150.379%0.7983%0.83SS**  trans-73.2163.2138.4-46.70000108.8
422P66.5Low58.5Low121 Ų121153.5 Ų153.579%0.78683%0.833SS**  -155.2-150.665.837.3-10.3000113.2
423P64.4Low58.8Low111 Ų111151 Ų15172%0.72183%0.828SS**  -128.1-174.9-82.941.3-23.1000114.6
424D53.8Low59.5Low158 Ų158154.1 Ų154.185%0.84583%0.834SS**  trans-10.5138.5163.2-69.8-73.5000122.8
425H68Low59.4Low168 Ų168155.1 Ų155.178%0.77883%0.833SS**  trans-157.4100.8143.8-154.217.8000107.3
426M62.8Low60Low158 Ų158152.9 Ų152.978%0.77883%0.831SS**  63.7129.974.4-135.3-175.4-177.900115.3
427Q62.7Low60.5Low170 Ų170152.9 Ų152.979%0.79483%0.832SS**  trans90.7118.5172.5-57.1170.8-8.300113.9
428E58.8Low60.4Low273 Ų273157.2 Ų157.2100%1.27684%0.84SS**  cis-143.2045-145.2174.5128.500113.2

Retrieved 428 of 428 residues in 241.7 ms (Link to these results)