A0A096NS89_PAPAN Loading...

Sterile alpha motif domain containing 15

AlphaFold DB , UniProt , Accession A0A096NS89, Species PAPAN (Papio anubis, Olive baboon), Gene SAMD15, Length 670 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
1M35.9Very low40.7Very low242 Ų242143.8 Ų143.8100%1.19280%0.802SS**  0105.80-69174.6177.800104.6
2A40.2Very low41.1Very low84 Ų84142.4 Ų142.469%0.69480%0.804SS**  82.4131.981.900000109.4
3E39.2Very low40.9Very low187 Ų187142.6 Ų142.687%0.87480%0.802SS**  cis-150.9176.19.8-117.6151.7165.300111.2
4V48.2Very low41Very low122 Ų122146.3 Ų146.374%0.73981%0.809SS**  trans-93.7143.5177.9-178.10000109.8E6V4-E6 HydrophobicContact CG1-CG 4.2Å
5P55.4Low40.8Very low115 Ų115147 Ų14775%0.74781%0.811SS**  -127.8145.7116.136.6-29.8000110.3
6E44.3Very low40.4Very low167 Ų167142.6 Ų142.678%0.7881%0.81SS**  cis70144.745.9-70.6-171.7166.700114.8V4V4-E6 HydrophobicContact CG1-CG 4.2Å
7D37.3Very low40.3Very low149 Ų149145.2 Ų145.280%0.79781%0.813SS**  trans68.6142.7-177.8-65.6-20.7000118.7
8Y33.2Very low40.5Very low194 Ų194144 Ų14476%0.76181%0.813SS**  cis-173.3126.3-24.5-156.4-89.3000109.1
9D38.9Very low40.1Very low158 Ų158146.6 Ų146.685%0.84582%0.818SS**  trans-166167.9145.9-140.2-23000112.6
10S41.7Very low39.9Very low89 Ų89145.5 Ų145.562%0.62282%0.82SS**  trans-127.6107.3-155-53.30000117.2
11G33Very low39.6Very low75 Ų75148 Ų14877%0.77383%0.825SS**  trans62.5-167.5151.600000118.5
12P45.7Very low39.5Very low127 Ų127147.1 Ų147.183%0.82581%0.809SS**  cis-110.7178.5-10.241.1-30.5000113.3
13D38.2Very low39.2Very low145 Ų145148.8 Ų148.878%0.77581%0.812SS**  trans-74.4150.7173.6-40.4-93.4000113
14E42.6Very low39Very low194 Ų194148.9 Ų148.991%0.90781%0.813SS**  trans-148.2130.6157.7-89.2-75.514500107.1
15D39Very low38.3Very low157 Ų157150.7 Ų150.784%0.8482%0.818SS**  trans-97.2140.1-170.8-21.4-63.2000111.9
16G34.6Very low37.4Very low76 Ų76151.1 Ų151.178%0.78482%0.821SS**  trans-157.792.5178.700000113.9
17E38.1Very low36.7Very low187 Ų187151.7 Ų151.787%0.87482%0.823SS**PPolyproline II helixtrans-71.3137.3164.7-64.5-177.4143.100109.8E19E17-E19 PolarHBondContact O-N 2.78Å
18P43.2Very low36.4Very low124 Ų124152.4 Ų152.481%0.80583%0.826SS**PPolyproline II helixtrans-75120.5174.529.6-32.4000110.6
19E33.7Very low36.3Very low193 Ų193151.2 Ų151.290%0.90283%0.827SS**PPolyproline II helixtrans-66.3138.8173-64.8-170.2137.900111.1E17 E21E17-E19 PolarHBondContact O-N 2.78Å; E19-E21 PolarHBondContact O-N 2.8Å
20S35.4Very low36.1Very low124 Ų124153.3 Ų153.387%0.86783%0.829SS**PPolyproline II helixtrans-74.7121.6179.7-60.40000111.8
21E34.3Very low35.7Very low199 Ų199154.8 Ų154.893%0.9384%0.839SS**PPolyproline II helixtrans-64.5132.2-179.4-163.2165.5-141.400111.7E19E19-E21 PolarHBondContact O-N 2.8Å
22R33.9Very low35.5Very low223 Ų223161.2 Ų161.284%0.84284%0.841SS**PPolyproline II helixtrans-103.5126.6-175.3-176.3-176.3-175.9-175.21.9110.1E24R22-E24 PolarHBondContact O-N 2.76Å
23P33.8Very low35Very low119 Ų119164.3 Ų164.377%0.77385%0.845SS**PPolyproline II helixtrans-63.1129.4173.2-21.833.3000111.7
24E33.8Very low34.5Very low190 Ų190163.9 Ų163.989%0.88884%0.842SS**PPolyproline II helixtrans-87.6144.4169.8-63.8-169.9137.800110.6R22R22-E24 PolarHBondContact O-N 2.76Å
25L34.8Very low34.1Very low160 Ų160159.4 Ų159.484%0.83884%0.839SS**PPolyproline II helixtrans-87143.9172-71.3170.3000109.9E27L25-E27 PolarHBondContact O-N 2.6Å
26P36.1Very low33.9Very low124 Ų124161.2 Ų161.281%0.80584%0.842SS**  trans-71.7113.4-179.428.1-33.8000112L28P26-L28 PolarHBondContact O-N 3.34Å
27E29.1Very low33.8Very low178 Ų178168.9 Ų168.983%0.83285%0.847SS**  trans-67.9119.8168-71.5-162.6130.100110.8L25 H29L25-E27 PolarHBondContact O-N 2.6Å; E27-H29 PolarHBondContact O-N 3.07Å
28L31.6Very low33.4Very low165 Ų165167.1 Ų167.186%0.86484%0.844SS**  trans-83.6105.1179.1-150.6164.3000110.1P26 K30P26-L28 PolarHBondContact O-N 3.34Å; L28-K30 PolarHBondContact O-N 2.65Å
29H32.1Very low32.8Very low169 Ų169167 Ų16778%0.78284%0.841SS**  trans-58.5129.4-174-84.6-84.5000114E27E27-H29 PolarHBondContact O-N 3.07Å
30K33.4Very low32.6Very low202 Ų202167 Ų16788%0.87884%0.844SS**  trans-84.8113.7166.8-64.5173.9-177.4172.60110.1L28L28-K30 PolarHBondContact O-N 2.65Å
31S33.9Very low32.4Very low119 Ų119166 Ų16683%0.83284%0.843SS**  trans-92.4121.4164.842.10000110.4
32Y28.3Very low32.1Very low210 Ų210166.1 Ų166.182%0.82484%0.843SS**  trans-105126168.6-129.2-96.2000107.3
33E35.6Very low32Very low193 Ų193159.7 Ų159.790%0.90284%0.838SS**  trans-122.5128.8168.8-169.8160-139.600109.2
34N28.1Very low31.7Very low135 Ų135161.2 Ų161.272%0.72284%0.84SS**  trans-95.4131.6-172.1-70-49.1000111.1
35A34.2Very low31.6Very low101 Ų101156.4 Ų156.484%0.83583%0.827SS**  trans-123.4113.4157.600000108.2
36E35.1Very low31.5Very low194 Ų194158.4 Ų158.491%0.90783%0.829SS**  trans-76.1151.3180-66.2-173.5121.900111.6
37R30.7Very low31.5Very low237 Ų237160 Ų16089%0.89483%0.83SS**  trans-90.2146.4177.6-46.7174.1-156.478.82.8109.3
38D30Very low32.2Very low151 Ų151157.2 Ų157.281%0.80783%0.827SS**  trans-151.6163.6158.6-147.1-13.8000113.3
39T32Very low32.2Very low121 Ų121153.1 Ų153.174%0.74282%0.817SS**  trans70.196.6168.157.60000119.6
40M29.2Very low32.2Very low194 Ų194153 Ų15396%0.95682%0.816SS**  trans20.6142.4138-69.8-173.7165.700122.5
41A30.7Very low32.2Very low102 Ų102149.3 Ų149.384%0.84381%0.805SS**  trans-88.4153.2161.200000112.8
42E28.5Very low31.9Very low201 Ų201153 Ų15394%0.93980%0.803SS**  trans-128.9160.7157.6-165.1163.4-156.300108.4
43A30.7Very low32Very low88 Ų88151 Ų15173%0.72780%0.8SS**  trans-97.4159.6-156.800000115.3
44D27.2Very low32Very low152 Ų152148.9 Ų148.981%0.81379%0.79SS**  -159.1118121.9-126.5-25.8000116.7
45S31.6Very low32.3Very low89 Ų89148.2 Ų148.262%0.62279%0.793SS**  trans33.7103.8133.8-52.20000123.6
46K33.2Very low32.1Very low201 Ų201150.9 Ų150.987%0.87479%0.788SS**  164150.8101.7-94.8166.6-179.6172.20116.9
47L35.8Very low32.6Very low159 Ų159146.9 Ų146.983%0.83278%0.779SS**  trans-104.4171.1163.9-53.2172.3000109.6
48P45Very low32.5Very low118 Ų118145 Ų14577%0.76678%0.781SS**  -129.1170.967.643.5-30.7000112.1
49A30.6Very low32.5Very low79 Ų79144.1 Ų144.165%0.65378%0.781SS**  cis66.8138.438.800000113.3
50E32.1Very low32.7Very low166 Ų166147.5 Ų147.578%0.77679%0.788SS**  cis-166.3167.5-1.1-126.1179.5175.700110.3
51I33.1Very low32.8Very low126 Ų126147.1 Ų147.165%0.64678%0.784SS**  trans74.6108.4143.6-71.9168.2000122
52Y28.4Very low32.9Very low197 Ų197151.6 Ų151.677%0.77379%0.787SS**  trans76150.2130.1-90.2-99.6000127.6
53H30Very low33.2Very low167 Ų167146.6 Ų146.677%0.77377%0.767SS**  trans95.5125.5145.8-82.6-59.1000123
54E35Very low33.1Very low149 Ų149150.2 Ų150.270%0.69677%0.767SS**  trans-80.5155.2165.9173.6-167.5-175.800112
55P34.8Very low33.5Very low121 Ų121150.1 Ų150.179%0.78676%0.755SS**  trans-133.3161.4140.638-26.7000115.2
56Q29.5Very low33.5Very low156 Ų156154.6 Ų154.673%0.72977%0.766SS**  trans-72.8167.7177.5-77.8-79.9-67.200113.9
57P45.8Very low33.2Very low110 Ų110148.9 Ų148.971%0.71476%0.764SS**  trans-83.7155-176.634.2-36.6000114.7
58E28.5Very low32.9Very low199 Ų199149.3 Ų149.393%0.9376%0.762SS**  trans-134.4169.5168.1-75.4-167.6150.200111.4
59T30.8Very low33.6Very low131 Ų131148.2 Ų148.280%0.80476%0.755SS**  trans-113145.6-162.1520000114.9
60E35.3Very low33.6Very low192 Ų192152.2 Ų152.290%0.89776%0.758SS**  trans-157.5119154.1-100.4164.3-16800105.6
61E31.6Very low33.5Very low186 Ų186150 Ų15087%0.86976%0.761SS**  72.896.154.4-74.9-113.2131.900115.4
62E32.7Very low33.6Very low196 Ų196147.8 Ų147.892%0.91676%0.761SS**  trans-156116.4135.4-116.8-176.3179.700112.6
63D34.9Very low34Very low96 Ų96147 Ų14751%0.51376%0.762SS.*  trans-40.9160.4167.7173.735.1000117.5R65D63-R65 PolarHBondContact OD1-N 2.97Å; D63-R65 IonicContact OD1-NH1 3.17Å; D63-R65 PolarHBondContact OD1-NH1 3.39Å; D63-R65 IonicContact OD2-CZ 2.73Å; D63-R65 IonicContact OD2-NH1 2.7Å; D63-R65 PolarHBondContact OD2-NH1 3.3Å; D63-R65 IonicContact OD2-NH2 2.72Å; D63-R65 PolarHBondContact OD2-NH2 3.3Å; D63-R65 VanDerWaalsContact OD2-NH2 3.15Å
64F29.7Very low34.1Very low164 Ų164145.9 Ų145.972%0.71976%0.762SS**  177.193.4124.2-101.7-75.4000115
65R36.3Very low33.9Very low150 Ų150145.6 Ų145.657%0.56677%0.77SS**  trans56.6129.7152.6-48.5-73.3170.9-80.1-20.3119.1D63D63-R65 PolarHBondContact OD1-N 2.97Å; D63-R65 IonicContact OD1-NH1 3.17Å; D63-R65 PolarHBondContact OD1-NH1 3.39Å; D63-R65 IonicContact OD2-CZ 2.73Å; D63-R65 IonicContact OD2-NH1 2.7Å; D63-R65 PolarHBondContact OD2-NH1 3.3Å; D63-R65 IonicContact OD2-NH2 2.72Å; D63-R65 PolarHBondContact OD2-NH2 3.3Å; D63-R65 VanDerWaalsContact OD2-NH2 3.15Å
66E30.7Very low33.8Very low184 Ų184148.1 Ų148.186%0.8677%0.771SS**  cis79.612144.1-166.1-174.4-160.200115.6
67G26.1Very low33.8Very low81 Ų81149 Ų14984%0.83578%0.78SS**  trans175105.617200000116.2
68E31.2Very low33.4Very low167 Ų167152.6 Ų152.678%0.7878%0.784SS**  trans-87.4165.4-175.5-118.3-132.614900115.3K70E68-K70 IonicContact OE2-NZ 3.88Å; E68-K70 PolarHBondContact OE2-NZ 3.31Å
69P57.7Low34.5Very low96 Ų96148.5 Ų148.562%0.62378%0.775SS**  trans-96.1175.5-170.339.1-37.7000114.9
70K31.7Very low34.2Very low163 Ų163146.3 Ų146.371%0.70978%0.778SS**  trans-178.1148.7147-96.8142.3-149.892.10116.5E68E68-K70 IonicContact OE2-NZ 3.88Å; E68-K70 PolarHBondContact OE2-NZ 3.31Å
71S29.9Very low33.8Very low119 Ų119140.3 Ų140.383%0.83277%0.768SS**  trans82.9153.7147.481.20000121.8
72A34.3Very low33.5Very low80 Ų80137.9 Ų137.966%0.66177%0.766SS**  cis-176161.7-2800000114.5
73K38Very low33.6Very low180 Ų180133.4 Ų133.478%0.78376%0.756SS**  trans86.1125.9142.9-83.1161.5-177.1171.80123.9
74N31.8Very low33.4Very low144 Ų144135.7 Ų135.777%0.7777%0.768SS**  trans77.1153.2140.2-58.9-12.5000117.6
75V31Very low33.3Very low143 Ų143136.2 Ų136.287%0.86777%0.773SS**  cis-137160.633.21720000113.7
76Q32Very low32.8Very low174 Ų174132 Ų13281%0.81378%0.776SS**  trans-81.2164-179.6-61173.8-11.300115
77L30.9Very low32.7Very low175 Ų175131 Ų13192%0.91677%0.774SS**  -155.9175.7122.3-104.8167.4000111.6
78K37.3Very low32.9Very low184 Ų184131 Ų13180%0.877%0.766SS**  trans-157.3-175.8-161.3-113.5-170.4175.2-1720109.9
79P50.7Low33.1Very low114 Ų114130.8 Ų130.874%0.7476%0.763SS**  cis-140.9175.3-3038.6-21.1000116.1
80G24.4Very low31.9Very low84 Ų84133.4 Ų133.487%0.86677%0.767SS**  trans82.4167.5148.700000118.5
81G26.1Very low31.9Very low67 Ų67129.8 Ų129.869%0.69176%0.762SS**  cis166.9150.9-9.400000115.4
82T27.2Very low32.1Very low134 Ų134131.8 Ų131.882%0.82276%0.756SS**  trans61.6112.2156.550.60000123.5
83S33.3Very low31.9Very low102 Ų102137 Ų13771%0.71376%0.759SS**  80171.7119.677.80000123.3
84L31.1Very low31.3Very low144 Ų144134.5 Ų134.575%0.75475%0.753SS**  trans69.5124.4-178.6-83.977.5000115.8
85E27.2Very low31.3Very low176 Ų176134 Ų13482%0.82276%0.755SS**  cis98.2130.538.9-178.8179.2-173.700112.2
86G25.9Very low32Very low61 Ų61132.7 Ų132.763%0.62975%0.75SS**  trans141.578.3149.700000120.3
87I29.4Very low31.9Very low162 Ų162128.3 Ų128.383%0.83174%0.739SS**  trans48.9140.9137.9-11.2-177000122
88A29.6Very low31.9Very low81 Ų81128.6 Ų128.667%0.66974%0.735SS**  trans76.9148146.700000118.4
89K36.5Very low31.3Very low163 Ų163125.8 Ų125.871%0.70973%0.733SS**  cis-162.3161-2-120.2165.5173.7-91.80110.6
90E31.8Very low30.5Very low151 Ų151129 Ų12971%0.70674%0.738SS**  trans30.5138.4140-70165.2148.300121.2
91S32.6Very low31.1Very low87 Ų87130.9 Ų130.961%0.60874%0.736SS**  cis-179.51634.557.20000114.7
92K32.3Very low31Very low161 Ų161130.9 Ų130.970%0.774%0.736SS**  trans65.2118.1141.9-75.8162.3-175.3166.60121.4
93R29.9Very low31.3Very low191 Ų191132.1 Ų132.172%0.72174%0.736SS**  68.2157.6126.5-73.4-161.5-74.398.6-11.9118.3
94D25.6Very low31.5Very low126 Ų126132.7 Ų132.767%0.67474%0.737SS**  cis-133.9178.810.6-93.1-56.4000112.5
95V33.6Very low31.3Very low133 Ų133133.5 Ų133.581%0.80674%0.737SS**  trans-132.7142.7177.51760000105.8
96P45.1Very low31.4Very low116 Ų116132.4 Ų132.475%0.75373%0.732SS**  -140.2-147.152.241.8-18.3000112.5
97S28.9Very low31.6Very low83 Ų83134.5 Ų134.558%0.5873%0.732SS**  cis-166.51617.634.90000111.9
98E30.7Very low31.8Very low180 Ų180135.7 Ų135.784%0.84173%0.731SS**  trans68.6152.7152-75.2163.1-165.200117.8
99T26.2Very low31.9Very low125 Ų125137 Ų13777%0.76774%0.735SS**  cis-156.5159.30.9-109.50000111.3
100E33.3Very low31.8Very low181 Ų181138.9 Ų138.985%0.84675%0.747SS**  trans-101.4137.5175.3-156.6-172.7-128.700110.7
101P37.6Very low31.9Very low125 Ų125141.6 Ų141.681%0.81275%0.75SS**  -148.3176.4100.638.1-20.5000113
102G24.2Very low32Very low67 Ų67145.4 Ų145.469%0.69176%0.759SS**  cis176.1168.3-200000110.6
103I33.1Very low32.1Very low159 Ų159146.4 Ų146.482%0.81577%0.768SS**  trans-112.7145.9-169.5-57.9166.5000112
104P38Very low32.6Very low115 Ų115139.9 Ų139.975%0.74776%0.76SS**  -130.7142.2123.541.6-33.4000110.6
105Q26.7Very low33.3Very low161 Ų161140 Ų14075%0.75276%0.757SS**  49.7125.365-103.5-164.7-60.800111.2
106E29.6Very low34Very low153 Ų153138.9 Ų138.972%0.71574%0.741SS**  cis-162.1171.523.2-80.8-145.7142.800108.9
107V29.3Very low34.1Very low104 Ų104137.1 Ų137.163%0.6372%0.722SS**  cis-160.2170.3-0.8116.40000111.4
108K33.6Very low34.9Very low188 Ų188139.4 Ų139.482%0.81772%0.721SS**  trans-12.1143.7161.6-49.1168.7-179.5-178.10119.5
109S30.7Very low35.3Very low107 Ų107138.7 Ų138.775%0.74872%0.723SS**  -169.4111.2107.753.70000113.4
110E35.1Very low36.4Very low203 Ų203139.6 Ų139.695%0.94972%0.723SS**  trans-71.3148.6144.2-71.5169.5105.300108.2
111R34.3Very low36.8Very low208 Ų208139.4 Ų139.479%0.78572%0.722SS**  trans-140.3107.8172.9-176.1179.1-70.8-130.74.4110.6
112E33.5Very low36.7Very low167 Ų167137.5 Ų137.578%0.7872%0.717SS**  56111.6128.3-139.2155.5-140.400117.3G114E112-G114 PolarHBondContact O-N 2.91Å
113M36.2Very low37.2Very low182 Ų182140.4 Ų140.490%0.89772%0.723SS**  trans-54.5126.3173.8-73.5-93.1-76.600111.4E115M113-E115 PolarHBondContact O-N 3.45Å
114G39.5Very low37.3Very low54 Ų54141.3 Ų141.356%0.55773%0.726SS**  trans-61.8107.8-176.700000113.4E112 F116E112-G114 PolarHBondContact O-N 2.91Å; G114-F116 PolarHBondContact O-N 3.25Å; G114-F116 VanDerWaalsContact O-N 3.11Å
115E39.4Very low37.1Very low129 Ų129143.3 Ų143.360%0.60373%0.731SS**  trans-80.513.5-169.2-161.4151.8-126.500114.9M113 F117 K118M113-E115 PolarHBondContact O-N 3.45Å; E115-F117 PolarHBondContact O-N 3.02Å; E115-K118 HydrophobicContact CG-CD 3.69Å; E115-K118 HydrophobicContact CG-CG 4.13Å; E115-K118 WeakPolarHBondContact OE1-CE 3.46Å; E115-K118 IonicContact OE1-NZ 2.6Å; E115-K118 PolarHBondContact OE1-NZ 3.49Å
116F48.2Very low37.6Very low109 Ų109144.5 Ų144.548%0.47874%0.736SS.*THydrogen-bonded Turntrans-65.5-1.1-164.4-98.8-88.8000118.2G114 N565 Q582G114-F116 PolarHBondContact O-N 3.25Å; G114-F116 VanDerWaalsContact O-N 3.11Å; F116-N565 WeakPolarHBondContact CE2-OD1 3.34Å; F116-N565 WeakPolarHBondContact CZ-OD1 3.23Å; F116-Q582 HydrophobicContact CE1-CB 4.17Å
117F48Very low37.8Very low80 Ų80144.1 Ų144.135%0.35175%0.745SS.*THydrogen-bonded Turntrans-130.59-172.5-69.6-86.8000114.6E115 I567 K571 H574E115-F117 PolarHBondContact O-N 3.02Å; F117-I567 HydrophobicContact CE2-CD1 4.21Å; F117-I567 HydrophobicContact CZ-CD1 3.84Å; F117-K571 HydrophobicContact CE2-CD 3.82Å; F117-K571 HydrophobicContact CZ-CB 4.36Å; F117-K571 HydrophobicContact CZ-CD 3.8Å; F117-K571 HydrophobicContact CZ-CG 4.19Å; F117-H574 HydrophobicContact CE1-CB 4.03Å; F117-H574 AromaticContact CE1-CD2 3.8Å
118K46.3Very low37.9Very low130 Ų130147.2 Ų147.257%0.56575%0.752SS**  trans-78.5-28179.8-65.9-168.6-176.8174.10114.1E115 L120 E121E115-K118 HydrophobicContact CG-CD 3.69Å; E115-K118 HydrophobicContact CG-CG 4.13Å; E115-K118 WeakPolarHBondContact OE1-CE 3.46Å; E115-K118 IonicContact OE1-NZ 2.6Å; E115-K118 PolarHBondContact OE1-NZ 3.49Å; K118-L120 PolarHBondContact O-N 3.03Å; K118-E121 PolarHBondContact O-N 3.49Å
119D39.1Very low37.6Very low166 Ų166146.2 Ų146.289%0.88875%0.75SS**THydrogen-bonded Turntrans-72.212.7-169.4-67.1-4.9000115.7
120L48.8Very low37.7Very low144 Ų144146.3 Ų146.375%0.75475%0.75SS**THydrogen-bonded Turntrans-110.3-3.2174.8-81.1165.7000113.8K118 A122K118-L120 PolarHBondContact O-N 3.03Å; L120-A122 PolarHBondContact O-N 2.68Å
121E41.4Very low37.3Very low177 Ų177144 Ų14483%0.82775%0.745SS**  trans-87.8105.5179.8-166.1152.5-135.800111.2K118K118-E121 PolarHBondContact O-N 3.49Å
122A35.5Very low37.2Very low85 Ų85142.6 Ų142.670%0.70275%0.752SS**PPolyproline II helixtrans-71.1132.1177.100000110.6L120 M124L120-A122 PolarHBondContact O-N 2.68Å; A122-M124 PolarHBondContact O-N 3.23Å
123P35Very low37.1Very low127 Ų127143.6 Ų143.683%0.82576%0.757SS**PPolyproline II helixtrans-70.9127.9-168.126.8-34.9000112.7
124M36.1Very low37.1Very low178 Ų178140.5 Ų140.588%0.87775%0.75SS**PPolyproline II helixtrans-81.6146156.1-78.6-70.8175.500109.8A122 E126A122-M124 PolarHBondContact O-N 3.23Å; M124-E126 PolarHBondContact O-N 3.4Å
125D32.5Very low36.8Very low158 Ų158144 Ų14485%0.84576%0.763SS**  trans-87.990-165.9-165.711.6000111.2
126E37Very low36.3Very low186 Ų186147.2 Ų147.287%0.86978%0.778SS**PPolyproline II helixtrans-98.8137.2172.6-70.8-156.1152.900112.5M124M124-E126 PolarHBondContact O-N 3.4Å
127T34.6Very low35.6Very low145 Ų145151.1 Ų151.189%0.8980%0.798SS**PPolyproline II helixtrans-95.2158.3-176.1-19.90000112.2
128H30.6Very low34.7Very low169 Ų169151.6 Ų151.678%0.78282%0.816SS**PPolyproline II helixtrans-92.7164.8-148.8-147.5-102.8000116.5
129E28.3Very low33.9Very low167 Ų167154.4 Ų154.478%0.7883%0.829SS**  trans78.4151.2166.4-51.9-167.9176.500118.2
130S31.9Very low33.3Very low108 Ų108154.3 Ų154.376%0.75583%0.827SS**  cis-139.7167.614.5-47.70000114.6
131D27.8Very low32.2Very low156 Ų156153 Ų15383%0.83482%0.821SS**  trans-59.7152.8176.8-58.5-72.1000116.3
132L30.9Very low31.4Very low178 Ų178150.8 Ų150.893%0.93282%0.819SS**  trans-154.3142.1133.1-82.7-165.8000111.8
133E31.5Very low31Very low188 Ų188151.1 Ų151.188%0.87981%0.812SS**PPolyproline II helixtrans-84159.5176.8-74.4-176.712800113.8
134P36.1Very low30.7Very low116 Ų116153.6 Ų153.675%0.75381%0.813SS**PPolyproline II helixtrans-84.1156-179.134.6-36.6000114.3
135P33.1Very low30.3Very low128 Ų128151.6 Ų151.683%0.83181%0.806SS**PPolyproline II helixtrans-83.1143.9175.833.2-34.4000113.8
136E29.1Very low30.1Very low196 Ų196149.4 Ų149.492%0.91680%0.798SS**PPolyproline II helixtrans-74.9158.5178.9-63.9-177.1109.700114.9
137E33.9Very low29.7Very low191 Ų191149.6 Ų149.689%0.89380%0.796SS**PPolyproline II helixtrans-76.9139.8169-59.4-173.4136.400113.4
138A29.9Very low29.5Very low90 Ų90150.8 Ų150.874%0.74480%0.796SS**  trans-148.885.7166.500000114.8
139K29.2Very low29.7Very low190 Ų190151.2 Ų151.283%0.82680%0.799SS**  trans46.4122.8134.5-60.4156.1-174.6157.50119.3
140L26.2Very low30.1Very low164 Ų164149.3 Ų149.386%0.85980%0.804SS**  -143.3167.8129.7-117.1172.9000110.8
141N24.7Very low30Very low116 Ų116148.7 Ų148.762%0.6281%0.805SS**  trans-154.5171.7-159.347.9-93.7000110.2
142V25.8Very low30.2Very low130 Ų130149 Ų14979%0.78880%0.804SS**  trans76.1138.5175.31680000114.4
143T27.6Very low30.1Very low92 Ų92148.3 Ų148.356%0.56480%0.796SS**  cis-175.7151-14.4-89.30000108.7
144E28.4Very low29.9Very low179 Ų179146 Ų14684%0.83680%0.795SS**  trans62.2163.1163.8-77.2154-160.800117.7
145D27.1Very low29.6Very low137 Ų137147.4 Ų147.473%0.73380%0.796SS**  cis-172172.7-28.7-176.624.2000108.7
146V28.5Very low29.7Very low111 Ų111146 Ų14667%0.67379%0.786SS**  trans76.6127.9161-159.70000119.9
147F28.9Very low29.7Very low191 Ų191142.2 Ų142.284%0.83878%0.777SS**  trans-55152.9166.9-62.6-109.8000115.5
148L30.3Very low30.1Very low170 Ų170138.5 Ų138.589%0.8977%0.769SS**  -176.1149.3116.3-104.1156.7000114
149E35.1Very low30.5Very low177 Ų177140.2 Ų140.283%0.82777%0.773SS**  trans-79.3152.7169.8-61.8167.296.700112.2
150S35.9Very low30.5Very low127 Ų127137 Ų13789%0.88877%0.769SS**  trans-167.6150136.617.70000111.1
151A30.2Very low30.8Very low95 Ų95137.6 Ų137.679%0.78577%0.768SS**  trans-117.4-164.4-178.900000111.5
152M31.1Very low31.1Very low164 Ų164138 Ų13881%0.80878%0.775SS**  trans91.8106.7-172.6-55.5-166.379.100113.2
153E28.9Very low31.6Very low162 Ų162139.9 Ų139.976%0.75778%0.777SS**  90.891.159.7-176.7-165.9160.900111.6
154T28.9Very low31.8Very low140 Ų140140.5 Ų140.586%0.85979%0.785SS**  trans-159.3123.1148.8-46.40000109.2
155D28.9Very low31.9Very low145 Ų145139.9 Ų139.978%0.77578%0.782SS**  trans-111.3140163-177.845000106.9
156P34.7Very low32.2Very low98 Ų98138.5 Ų138.564%0.63678%0.778SS**  -155.7164.492.842.5-23.4000117.8
157V29.5Very low32.4Very low118 Ų118139 Ų13972%0.71579%0.786SS**  trans80.8114.1157.7-166.70000118.4
158P41.6Very low32.4Very low112 Ų112133.5 Ų133.573%0.72778%0.784SS**PPolyproline II helixtrans-85.4142.8159.634.5-32.2000112.1
159P38.9Very low32.4Very low127 Ų127129.6 Ų129.683%0.82578%0.776SS**PPolyproline II helixtrans-82137.1170.932.4-32.5000111.9
160T30.4Very low32Very low123 Ų123127 Ų12776%0.75577%0.773SS**PPolyproline II helixtrans-70148.6176.949.90000113.1
161E30.7Very low32Very low176 Ų176127 Ų12782%0.82277%0.767SS**PPolyproline II helixtrans-57.1157.9161.7-63.2-166.4120.700111.8
162T31.9Very low32Very low125 Ų125131.2 Ų131.277%0.76776%0.762SS**  trans-144121.9174.9-47.40000110.2
163M35.8Very low32.3Very low169 Ų169128.5 Ų128.583%0.83375%0.748SS**  trans-120.8135.9174.5-67.8-163.1-17900111.3
164S31.9Very low32.6Very low105 Ų105129.1 Ų129.173%0.73474%0.743SS**  trans-169.2159.3-179-79.80000108.1
165E29.9Very low32.8Very low166 Ų166129 Ų12978%0.77674%0.737SS**  cis-166.4158-14.3-104.5-152.2108.300106
166V34Very low33.1Very low107 Ų107128.7 Ų128.765%0.64874%0.735SS**  cis-168.3140.9-17.459.20000108.4
167S32.5Very low33Very low121 Ų121132.5 Ų132.585%0.84674%0.744SS**  trans163.9124.9145.7-76.50000110.7
168G29Very low33.1Very low76 Ų76133.7 Ų133.778%0.78475%0.746SS**  cis123.51413.900000111.1
169A30.2Very low32.4Very low89 Ų89134.8 Ų134.874%0.73675%0.745SS**  cis-156.2-153-4.200000107.5
170T28.1Very low32.1Very low123 Ų123136.4 Ų136.476%0.75574%0.741SS**  cis-169.8162.517-16.80000109.5
171V34.5Very low32.1Very low125 Ų125138.6 Ų138.676%0.75874%0.743SS**  trans68.5129.5156167.90000117.2
172R30.4Very low32Very low184 Ų184133.3 Ų133.369%0.69474%0.736SS**  cis-171.5168.5-7-97.4-176105.1176.24.2106.4
173E38.3Very low31.7Very low107 Ų107133 Ų13350%0.573%0.734SS.*  cis176.6147.8-20.8-176-168-78.600107.9
174R35.6Very low31.4Very low176 Ų176132.7 Ų132.766%0.66473%0.73SS**  trans84.8143.1170.8-50.4-172.6-144.698.317.8117.8
175N31.4Very low31.2Very low136 Ų136135.5 Ų135.573%0.72774%0.736SS**  cis-158161.6-9.1-107.72.7000112.8
176L36.6Very low30.9Very low140 Ų140130.9 Ų130.973%0.73373%0.733SS**  trans-28.1166.2164.8-64.7144.4000118.8L178L176-L178 HydrophobicContact CD2-CD1 4.47Å
177E31.2Very low30.9Very low177 Ų177132.4 Ų132.483%0.82774%0.742SS**  cis-140.5150.235.8-72.517412900112.2
178L33.1Very low31Very low144 Ų144132.8 Ų132.875%0.75474%0.742SS**  53.6138.783.9-73.5156.2000114.9L176L176-L178 HydrophobicContact CD2-CD1 4.47Å
179L26.9Very low30.9Very low134 Ų134137.3 Ų137.370%0.70274%0.743SS**  cis-159.4139.433.9-16664.8000109.5
180E31.6Very low30.8Very low162 Ų162142.5 Ų142.576%0.75775%0.752SS**  51.1147.1100-107.5170.2-171.600116.7
181E30.5Very low30.9Very low168 Ų168141 Ų14179%0.78575%0.746SS**  cis-167.2157.76.9-162.8-169.6165.500111.8
182G28.2Very low30.6Very low65 Ų65143.7 Ų143.767%0.6776%0.755SS**  trans69.6165.7143.800000123
183T27.2Very low30.5Very low118 Ų118145.3 Ų145.372%0.72476%0.762SS**  cis-163.6145.3-11.9-70.10000112
184E29.1Very low30Very low164 Ų164146.7 Ų146.777%0.76678%0.777SS**  trans9.4157.8162.8-55.5178.1115.600127.8
185L27.8Very low29.7Very low164 Ų164145.5 Ų145.586%0.85978%0.779SS**  trans85.2134.9133-100.9159.1000123.1
186G23.4Very low29.6Very low69 Ų69147.8 Ų147.871%0.71179%0.785SS**  trans148.4104.8151.300000117.4
187V32.7Very low29.2Very low138 Ų138150.2 Ų150.284%0.83679%0.792SS**  trans-99.2151.8166.4174.60000109.8
188P35.7Very low29.3Very low130 Ų130150.4 Ų150.484%0.84479%0.793SS**  trans-122.5131.6145.735.2-26.3000112.9
189E27.6Very low28.9Very low170 Ų170150 Ų15079%0.79480%0.797SS**  trans-109.7132.8165.9178.4-167.2174.300107.5
190E26.8Very low28.9Very low199 Ų199146.9 Ų146.993%0.9380%0.797SS**  trans-143.7134.3161.1-163.2166.7-145.300111.3
191S30.1Very low28.7Very low90 Ų90146.4 Ų146.463%0.62981%0.805SS**  trans-101.4150.4-176.4-79.50000112.2
192L28.3Very low28.5Very low182 Ų182146.8 Ų146.895%0.95381%0.807SS**  trans-136.5139.4142.8-83-174.5000111.9
193R28.8Very low29.5Very low219 Ų219148.3 Ų148.383%0.82681%0.805SS**  trans-135.4124.5-175.8174.6-159.8-89.9-152.3-3.2109.1
194V28Very low29.9Very low136 Ų136148.1 Ų148.182%0.82481%0.806SS**  trans-136.889.1166.5-178.80000107.5
195Q28.7Very low29.8Very low151 Ų151147.8 Ų147.871%0.70680%0.804SS**  75.2111.2106.5-66.6-73.565.800114.8
196H29.7Very low29.9Very low184 Ų184147.3 Ų147.385%0.85280%0.797SS**  trans-69.6153.4147.8-91.3-121.2000109.1
197E27.6Very low30Very low190 Ų190149.2 Ų149.289%0.88880%0.795SS**  trans-145.5137.1146.1-152.9159.5-136.300111
198E34.2Very low29.9Very low182 Ų182150.8 Ų150.885%0.8579%0.791SS**  trans-100.5134.1-179.6173.7-161.6142.400108.9
199T24.3Very low29.5Very low135 Ų135151.2 Ų151.283%0.82879%0.786SS**  trans-166.5135.9155.7-76.90000109.8
200G25.8Very low29.4Very low68 Ų68148.7 Ų148.770%0.70178%0.777SS**  trans-120.7149.1162.100000111.2
201V29.1Very low29.8Very low153 Ų153148.8 Ų148.893%0.92778%0.775SS**  trans-161.9162.6162.3130.60000108.9
202E26.3Very low30.3Very low176 Ų176150.6 Ų150.682%0.82279%0.785SS**  trans-99.1-160.8-152-149.7-155.315500114.9
203P48.7Very low30.3Very low97 Ų97146.6 Ų146.663%0.6377%0.772SS**  -103.3-170.9-113.641.3-27.2000115
204P35.1Very low30.4Very low114 Ų114145.5 Ų145.574%0.7478%0.776SS**  -146.8142.7112.436-20.2000118.2
205E27.8Very low30.7Very low156 Ų156147.8 Ų147.873%0.72978%0.775SS**  trans65.8132137.8-66.9-153.897.700124.8
206Q29.5Very low31.4Very low154 Ų154146.9 Ų146.972%0.7278%0.782SS**  trans71.2130.1142.8-70.7175.446.900118.1
207T25.6Very low31.3Very low109 Ų109141.8 Ų141.867%0.66978%0.779SS**  cis-162.3136.216-81.50000112
208K30.4Very low31.4Very low171 Ų171141.9 Ų141.974%0.74378%0.78SS**  trans45.4152.6153.2-70.4-170.6175.2-1580120.7
209L26.6Very low31.2Very low140 Ų140137.5 Ų137.573%0.73377%0.769SS**  cis-158.613242.3-158.7128.2000115.1
210D26.7Very low31.4Very low116 Ų116138.3 Ų138.362%0.6277%0.768SS**  trans32.9112.5152.4-47.4-21.9000122.1
211F35.3Very low31.5Very low201 Ų201142.6 Ų142.688%0.88277%0.77SS**  trans-71.2166.5135.5-76.8-90.7000109.9
212P39.4Very low31.5Very low129 Ų129143.2 Ų143.284%0.83876%0.762SS**  -131.5144.9116.636.6-30.3000114.3
213S29.9Very low31.6Very low97 Ų97140 Ų14068%0.67876%0.755SS**  trans-94155.4169.860.30000111.7
214E29.1Very low30.6Very low197 Ų197142.7 Ų142.792%0.92176%0.764SS**  trans-135.1156.8151.4-111174.2174.800111.8
215K34.7Very low30.3Very low184 Ų184145 Ų14580%0.877%0.769SS**  trans-144.6-175.4-176.1-55.2-176.3179-176.50107.4
216P43.3Very low30.5Very low131 Ų131146 Ų14685%0.85177%0.774SS**  cis-123.7-174.6-2520.33.5000111.9
217G27.2Very low31Very low77 Ų77143.8 Ų143.879%0.79477%0.773SS**  trans-157.5138.4166.500000113.6
218E29.9Very low31.3Very low193 Ų193144.8 Ų144.890%0.90278%0.781SS**  trans-65.3164.7173.2-73157.7125.200112.5
219S30.1Very low31.2Very low90 Ų90146.1 Ų146.163%0.62979%0.787SS**  cis-176.2177.5-8.951.50000108.9
220L28.5Very low31Very low152 Ų152147 Ų14780%0.79679%0.79SS**  trans69.5157.2166.3-63.9167.7000114.8
221E28.7Very low31Very low158 Ų158146.6 Ų146.674%0.73879%0.791SS**  cis-165.8113.8-11.4164.7176.7152.400106.3
222E28.8Very low30.8Very low165 Ų165143.9 Ų143.977%0.77178%0.779SS**  85.9140.8108.1-163.3170.7145.700117.1
223T27.7Very low30.4Very low108 Ų108143.8 Ų143.866%0.66378%0.778SS**  trans58.796.2166.940.30000121.3
224D28.5Very low30.1Very low154 Ų154146.4 Ų146.482%0.82478%0.78SS**  10.9129.8109.6-157.81.9000118.6
225L29.3Very low30.5Very low164 Ų164144.4 Ų144.486%0.85977%0.774SS**  trans-149107.3175.7-79.2-179.1000113.9
226Q30.4Very low30.4Very low176 Ų176141.4 Ų141.482%0.82277%0.773SS**  trans-152.6160.2153.7-82.4-152.422.400109.8
227P41.8Very low29.7Very low107 Ų107144.1 Ų144.170%0.69578%0.775SS**  cis-132.6170.6-48.337.7-23.2000111
228P31Very low29.8Very low131 Ų131148.6 Ų148.685%0.85178%0.775SS**  trans-120.9138.8164.932.5-19.2000115.7
229K27.3Very low29.6Very low199 Ų199143.7 Ų143.787%0.86576%0.758SS**  trans-70.5159.8177.5-74.4172.4174173.50114.7
230M24.1Very low29.5Very low159 Ų159146.7 Ų146.778%0.78376%0.762SS**  trans76.2114.8139.4-69.8-9492.100121.7
231T25.3Very low29.6Very low107 Ų107149.7 Ų149.766%0.65676%0.763SS**  85.1110.8119.6-56.80000121.2
232K31.6Very low30Very low144 Ų144150.7 Ų150.763%0.62677%0.768SS**  trans64.5117.4144.5-168.3-174.6179.6-162.70119E234K232-E234 WeakPolarHBondContact CE-OE2 3.35Å; K232-E234 IonicContact NZ-OE1 3.94Å; K232-E234 IonicContact NZ-OE2 3.35Å; K232-E234 PolarHBondContact NZ-OE2 2.93Å
233P31.9Very low30.2Very low126 Ų126147.1 Ų147.182%0.81876%0.761SS**  trans-82.3138.6154.433.8-30.4000111.2
234E22.7Very low30.2Very low152 Ų152147.5 Ų147.571%0.7176%0.763SS**  trans-132132.5168.1-168.1162.5179.400107.6K232K232-E234 WeakPolarHBondContact CE-OE2 3.35Å; K232-E234 IonicContact NZ-OE1 3.94Å; K232-E234 IonicContact NZ-OE2 3.35Å; K232-E234 PolarHBondContact NZ-OE2 2.93Å
235I37.2Very low30.1Very low156 Ų156147.1 Ų147.180%0.876%0.756SS**PPolyproline II helixtrans-96.4132.3-165.1-55.3172.2000109.5
236P33.8Very low30.2Very low120 Ų120147.4 Ų147.478%0.77975%0.751SS**PPolyproline II helixtrans-76.3147.6179.330.7-35.1000113.4
237E28.1Very low30.2Very low189 Ų189148 Ų14888%0.88375%0.751SS**PPolyproline II helixtrans-84.8148.3177-66.3-177.588.300114
238E29Very low29.5Very low170 Ų170152.8 Ų152.879%0.79476%0.755SS**  -164.3146.3129.9-115.9-161136.300108.9
239T25.4Very low29.2Very low90 Ų90149.7 Ų149.755%0.55274%0.74SS**  cis-152.8118.215.8-50.40000112.8
240Q29.3Very low29.2Very low154 Ų154147.7 Ų147.772%0.7273%0.734SS**  trans57.6145.9149-52.3166.320.100120.1
241R30.8Very low29.7Very low214 Ų214146.4 Ų146.481%0.80874%0.737SS**  cis-158141.142-68.2173.8177.3168.31.4113.8
242E35.7Very low30.1Very low180 Ų180147.3 Ų147.384%0.84175%0.745SS**  trans46.7142.7143.6-72.2-174.397.400122.7
243S34.2Very low30Very low89 Ų89148.2 Ų148.262%0.62275%0.751SS**  cis-166.8159.70.343.50000114.7
244T27.9Very low29.9Very low117 Ų117150 Ų15072%0.71875%0.749SS**  trans58.8111.1157.840.20000120.1
245E26.3Very low30.2Very low145 Ų145147.7 Ų147.768%0.67876%0.756SS**  82.1122.288.1-171.4176.7-172.300113.5
246K30.9Very low30.1Very low170 Ų170151.6 Ų151.674%0.73976%0.76SS**  cis-16416048.7-142.4175.2-164.592.90114
247K30.7Very low30.1Very low190 Ų190151.2 Ų151.283%0.82676%0.758SS**  trans-13.6161.9154.9-74.7-174.6176.8-179.50120.7
248R26Very low30Very low207 Ų207151.2 Ų151.278%0.78176%0.758SS**  cis174.1153.7-8.2173.8-130.6179.4-164.3-5.3110.1
249A25.7Very low30Very low65 Ų65153.2 Ų153.254%0.53776%0.764SS.*  trans87.113815100000122.7
250E27.8Very low30.3Very low157 Ų157154.9 Ų154.973%0.73478%0.777SS**  trans31133.6138.3-62.7161.8125.200122.3
251P32.7Very low30.4Very low132 Ų132156.3 Ų156.386%0.85778%0.783SS**  trans-94.7121155.634.5-26.4000112.4
252P33.5Very low30.3Very low127 Ų127156 Ų15683%0.82579%0.788SS**  trans-96.7-178.4169.737.5-34000113.4
253E31.1Very low30.1Very low162 Ų162156.1 Ų156.176%0.75779%0.789SS**  trans-78.2163.9-165.3-75.1-168.987.100119.2
254Q30Very low30.9Very low164 Ų164156.6 Ų156.677%0.76679%0.79SS**  trans57.5124.2144-73.1173.44700121.7
255A28Very low30.8Very low103 Ų103162.6 Ų162.685%0.85180%0.799SS**  174159116.900000113.8
256R34.3Very low31Very low239 Ų239164.4 Ų164.490%0.90281%0.805SS**  trans-78.2165171-60175.8175.7169.3-2.8111.5
257P34.9Very low30.9Very low112 Ų112161.7 Ų161.773%0.72781%0.807SS**  -152.1151.599.738.3-20.8000118.5
258E25Very low30.6Very low188 Ų188157.3 Ų157.388%0.87980%0.8SS**  trans51.9136.6135.4-58.7-179.4148.100124.7
259F29.7Very low30.7Very low212 Ų212156 Ų15693%0.9380%0.803SS**  trans-94.8156.6163.9-70.5-97.9000111.9
260P32Very low30.9Very low125 Ų125161.4 Ų161.481%0.81282%0.817SS**  trans-109139.4160.836.2-27.7000113.8
261E30.8Very low30.9Very low184 Ų184158.7 Ų158.786%0.8682%0.822SS**  trans-79.4157.7175.7-51.9170.1120.800113.8
262K29.9Very low30.5Very low208 Ų208155.7 Ų155.790%0.90481%0.814SS**  -176.1139.3128.3-101.3149.4-169.1162.10115.7
263E31.4Very low30.3Very low183 Ų183158.5 Ų158.586%0.85582%0.822SS**  trans-106.7-158175.3-64.4-162.9124.500112.8
264P49.3Very low30.1Very low99 Ų99159.5 Ų159.564%0.64383%0.826SS**  -136.3157.9-79.339.8-23.4000115.3
265R26.3Very low30.5Very low242 Ų242157 Ų15791%0.91382%0.824SS**  trans-162.4154.3158.6-68.6-161.3-176.8170.24.1110.9
266K30.6Very low31.4Very low184 Ų184157.8 Ų157.880%0.882%0.821SS**  cis-178.6152.3-33.1-117.1-171-178.7-165.90108.8
267S28.8Very low31Very low113 Ų113155.8 Ų155.879%0.7982%0.822SS**  trans67155.816418.90000117.7
268S25.4Very low30.8Very low97 Ų97159.1 Ų159.168%0.67883%0.827SS**  cis-168.6155.4-0.639.50000113
269E27.5Very low31Very low181 Ų181157 Ų15785%0.84683%0.828SS**  trans67.6153.7137.7-172.7179.1162.800120.6
270E29Very low30.9Very low177 Ų177155.4 Ų155.483%0.82782%0.823SS**  cis-163.3150.9-46.6-172.5170.7126.800109.1
271A28Very low31.4Very low101 Ų101154.6 Ų154.684%0.83582%0.818SS**  trans64.3154.316900000119.1
272G26Very low31Very low68 Ų68154.4 Ų154.470%0.70182%0.817SS**  cis163.7147.5-13.900000115.9
273L28.9Very low31.1Very low187 Ų187151 Ų15198%0.97981%0.813SS**  trans81.6153.1163.4-54.2-179.7000120.8
274E26.3Very low31.4Very low182 Ų182148.2 Ų148.285%0.8581%0.811SS**  trans-122.7-179.2-167.3-109.2-174.3-158.900109.5
275P39.6Very low30.3Very low111 Ų111147.4 Ų147.472%0.72182%0.821SS**  cis-132.3-124.3-25.739.5-17.1000111.6
276P45.2Very low30.6Very low120 Ų120144.4 Ų144.478%0.77982%0.817SS**  trans-123.8-173.7-15136.5-11.2000116.3
277E27.2Very low30.3Very low198 Ų198143.8 Ų143.893%0.92582%0.819SS**  trans-152.3162.7166-136.9170.1-175.500113
278E31.1Very low30.3Very low181 Ų181143.6 Ų143.685%0.84681%0.805SS**  trans-99158.5-165.4-49.7174.6110.600114.9
279T27.2Very low30.5Very low145 Ų145148.5 Ų148.589%0.8981%0.809SS**  -177.315212817.50000115.9
280Q29.4Very low30.6Very low178 Ų178149 Ų14983%0.83281%0.809SS**  trans-118.6-172.4151.1-58.2-171.3-5.300107.5
281P41.6Very low30.6Very low107 Ų107144.6 Ų144.670%0.69580%0.802SS**  cis-133.3-166.6-8.241-21.7000113.5
282E23.5Very low30.4Very low180 Ų180146 Ų14684%0.84180%0.801SS**  157.1157.4129.4-85.1-155.1124.300115
283V30.9Very low30.3Very low138 Ų138151.6 Ų151.684%0.83681%0.806SS**  trans-147.3127176.1168.10000108.7
284P38.8Very low30.4Very low124 Ų124150 Ų15081%0.80579%0.793SS**  -157.9168.6125.937.9-19.6000117.2
285G25.9Very low30.5Very low82 Ų82151.1 Ų151.185%0.84580%0.795SS**  trans161.5112.1156.600000117.6
286E31.3Very low29.8Very low179 Ų179148.7 Ų148.784%0.83679%0.79SS**  trans-99.5160.6171.6-58.6-17997.400113.4
287M25.7Very low28.7Very low170 Ų170149.1 Ų149.184%0.83779%0.791SS**  trans162.1160.1139.7-92.9168.748.800112.1
288Q28.8Very low28.6Very low109 Ų109148.2 Ų148.251%0.50979%0.787SS.*  cis-176.7139.5-39-115.2-177.93500110.9
289R28.7Very low28.3Very low201 Ų201147.1 Ų147.176%0.75879%0.786SS**  trans70.8160.2154-62.1162.7175.3163.5-0.6116.6
290K30Very low29Very low192 Ų192144.7 Ų144.784%0.83577%0.773SS**  cis-158.1176.97.9-132.4164.7-172.8-177.80112.6
291A27.7Very low28.9Very low84 Ų84144.2 Ų144.269%0.69477%0.771SS**  trans-79.3-176.4-174.800000115.2
292T24.1Very low28.1Very low131 Ų131149.5 Ų149.580%0.80478%0.777SS**  -178.615452.6-24.20000114.9
293K24.8Very low28.1Very low184 Ų184147.2 Ų147.280%0.878%0.775SS**  trans78.4157.7143.1-155.1171.5-174.2167.70120.2
294E29.7Very low28Very low153 Ų153149.5 Ų149.572%0.71577%0.774SS**  cis175.8126.7-49.2-179.7-151.9-169.600110.1
295K29Very low28Very low206 Ų206149.7 Ų149.790%0.89678%0.775SS**  trans157.7145.3150.8-97.1-175.5172.6-165.50110.4
296G24.8Very low28Very low60 Ų60152.6 Ų152.662%0.61977%0.771SS**  cis152.2141.9-13.300000113.8
297T23.3Very low27.7Very low130 Ų130151.4 Ų151.480%0.79877%0.77SS**  trans64.6148.5168.822.80000117.2
298E25.1Very low28.1Very low179 Ų179149.7 Ų149.784%0.83676%0.763SS**  cis-153.4177.25.1-151.7145.6-13200112.3
299L24.5Very low27.9Very low158 Ų158151.5 Ų151.583%0.82778%0.776SS**  trans-84.4-171.3173.8-83.9161.4000111.3
300P41.8Very low28Very low94 Ų94148.9 Ų148.961%0.6177%0.773SS**  cis-144.3-177.7944.6-24.7000118.3
301E26.7Very low28Very low168 Ų168149 Ų14979%0.78577%0.773SS**  trans56.7170.3142.4-76.8178.9137.600122.5
302R25.3Very low28Very low217 Ų217149 Ų14982%0.81977%0.768SS**  -173141.3-53.8-119.4-176.1174.2-173.8-2.9109.6
303T22.2Very low28.1Very low132 Ų132154.2 Ų154.281%0.8177%0.773SS**  trans79.4144.5152.1-43.20000120.5
304K30.8Very low28.2Very low187 Ų187153.2 Ų153.281%0.81377%0.769SS**  trans-63.6167.8171.5-50.1174.5166.8-177.90112.6
305P37.7Very low28.3Very low127 Ų127150.5 Ų150.583%0.82577%0.766SS**  -152-163.972.941.3-19000116.6
306D25.7Very low28.1Very low144 Ų144145.4 Ų145.477%0.7775%0.753SS**  trans-82.8171.2-159.2-64.2-80000121.1
307L25.2Very low28.1Very low153 Ų153149.3 Ų149.380%0.80176%0.76SS**  trans84.8124.3142.4-82.7160.5000123.3
308L33.2Very low28.3Very low134 Ų134151 Ų15170%0.70276%0.758SS**  trans49.3129.2144-80.7173.2000123.2
309D25.8Very low28.3Very low147 Ų147149.3 Ų149.379%0.78676%0.755SS**  -157.6176.5114-146.8-25.5000112
310H30.7Very low28.8Very low147 Ų147147.9 Ų147.968%0.68175%0.753SS**  trans-122.3174.6-165.1-81.4-89000115.8
311K30.1Very low28.3Very low194 Ų194149 Ų14984%0.84376%0.76SS**  trans99.6155.8156.6-53.3162.2-173.8146.40114.7
312S26.4Very low28.4Very low85 Ų85149.3 Ų149.359%0.59476%0.761SS**  cis-159.715017.985.40000116.8
313R26.7Very low29.7Very low239 Ų239144.2 Ų144.290%0.90276%0.756SS**  trans65.9151.8147.3-64.2162.3171.1165.1-4.8118
314K28.5Very low29.8Very low164 Ų164145.2 Ų145.271%0.71376%0.756SS**  cis-146.6179.11.4-142.5-166.3146.7-850106.9T316K314-T316 VanDerWaalsContact NZ-CB 3.29Å; K314-T316 PolarHBondContact NZ-OG1 3.11Å
315S30.5Very low29.8Very low95 Ų95144.3 Ų144.366%0.66476%0.755SS**  cis-135.6-178.815.3-74.50000110.1
316T24.9Very low29.4Very low100 Ų100146.2 Ų146.261%0.61375%0.753SS**  cis90131.618.2-28.20000117.1K314K314-T316 VanDerWaalsContact NZ-CB 3.29Å; K314-T316 PolarHBondContact NZ-OG1 3.11Å
317D26.1Very low29.6Very low142 Ų142145.4 Ų145.476%0.75975%0.747SS**  trans63.6118.9-167.9-69.3-118.8000113.3
318E26.4Very low29.8Very low165 Ų165146.9 Ų146.977%0.77175%0.747SS**  cis88.684.939.2-164.9-177.7146.500113.8
319N25.3Very low29.5Very low143 Ų143147.4 Ų147.477%0.76575%0.75SS**  -173.4160.7121-106.9-84.4000111.2
320V34.6Very low29.5Very low128 Ų128148.8 Ų148.878%0.77675%0.751SS**  trans-122.3133.1167.5174.60000107.8
321P31.2Very low29.3Very low118 Ų118151.1 Ų151.177%0.76676%0.76SS**  trans-137.1130.3141.533.6-19.1000113.2
322E28.6Very low29.9Very low174 Ų174146.6 Ų146.681%0.81375%0.75SS**  trans-81.2-167145.3-59-176.712900109.2
323P52.4Low29.9Very low110 Ų110150.7 Ų150.771%0.71476%0.76SS**  -92.5-173.5-109.437.9-22000112.7
324L25Very low29.9Very low154 Ų154147.1 Ų147.181%0.80675%0.754SS**  167166.5126.4-90.2170.3000113.4
325E30.4Very low30Very low168 Ų168145.9 Ų145.979%0.78575%0.75SS**  trans-72.7161.3177.1-53.6151.5131.400112.5
326E29.4Very low30Very low167 Ų167144.8 Ų144.878%0.7874%0.743SS**  -179.5124.2112-96.2-159.4160.500113.2
327I30Very low30.2Very low127 Ų127149.5 Ų149.565%0.65175%0.749SS**  47.3123.6123.1-54.8173.1000117
328K29.3Very low30.6Very low183 Ų183152 Ų15280%0.79675%0.753SS**  -17617276.4-146.9148.3-161.3160.10115.5
329L28.3Very low31.5Very low146 Ų146149.3 Ų149.376%0.76475%0.75SS**  trans83.9142168.4-52.9173.4000116.1
330E25.2Very low31.4Very low176 Ų176148 Ų14882%0.82274%0.743SS**  cis-163.8146.2-27.9-166152.5-145.100107.4
331F27.4Very low31Very low196 Ų196149.7 Ų149.786%0.8674%0.743SS**  trans-84.7151.2180-84.8-82.5000111.9
332P41.2Very low31Very low99 Ų99152.2 Ų152.264%0.64374%0.744SS**  -141.2143.287.331.9-11.9000114.7
333E27.6Very low31Very low170 Ų170149.7 Ų149.779%0.79474%0.741SS**  74.9140.4102.8-62.7173.4143.500114.9
334E27Very low29.8Very low164 Ų164151.8 Ų151.877%0.76674%0.744SS**  cis-143.4148.6-2.1-111.3-178116.500108.3
335E30.5Very low30Very low138 Ų138151.7 Ų151.765%0.64574%0.744SS**  38.8143.897.1-80-135.892.200117.7R337E335-R337 IonicContact OE1-CZ 2.74Å; E335-R337 IonicContact OE1-NE 2.81Å; E335-R337 PolarHBondContact OE1-NE 2.8Å; E335-R337 IonicContact OE1-NH2 3.15Å; E335-R337 PolarHBondContact OE1-NH2 3.33Å; E335-R337 IonicContact OE2-NH2 2.66Å; E335-R337 PolarHBondContact OE2-NH2 3.42Å
336S29.3Very low30.2Very low72 Ų72151.3 Ų151.350%0.50374%0.742SS.*  cis-175.4-178.2-14.459.10000112.9
337R29.6Very low30.3Very low200 Ų200152.4 Ų152.476%0.75575%0.747SS**  trans75.5118.1148.9-73.3161.2-136.4-157.35.6121.4E335E335-R337 IonicContact OE1-CZ 2.74Å; E335-R337 IonicContact OE1-NE 2.81Å; E335-R337 PolarHBondContact OE1-NE 2.8Å; E335-R337 IonicContact OE1-NH2 3.15Å; E335-R337 PolarHBondContact OE1-NH2 3.33Å; E335-R337 IonicContact OE2-NH2 2.66Å; E335-R337 PolarHBondContact OE2-NH2 3.42Å
338K34.7Very low30.3Very low194 Ų194150.2 Ų150.284%0.84374%0.743SS**  trans-63.1161.9139.6-66.3-176.8178.7-176.90109.1
339P44.4Very low30.4Very low109 Ų109149.3 Ų149.371%0.70874%0.742SS**  cis-155.9-163.344.439.4-13.1000117.9
340N24.1Very low30.3Very low114 Ų114149.3 Ų149.361%0.6174%0.74SS**  trans63.8129.5144.385.6-62.5000124.9
341E26.1Very low30.4Very low164 Ų164149 Ų14977%0.76674%0.74SS**  trans78.8140.4130.1-76.6164.8154.800124.3
342E30.8Very low30.4Very low171 Ų171147.8 Ų147.880%0.79974%0.735SS**  trans52105.7155-59.9-165.312900122.6
343T29Very low30.6Very low122 Ų122147.5 Ų147.575%0.74873%0.732SS**  28.7127.8111.9-30.70000119.3
344I27.2Very low30.7Very low153 Ų153147.2 Ų147.279%0.78573%0.731SS**  167.3133.9124.2-88.1160.5000114.9
345L29.4Very low30.7Very low152 Ų152144.3 Ų144.380%0.79673%0.729SS**  trans65160.1157.6-107.576.3000125.6
346E34.2Very low31.4Very low160 Ų160143.9 Ų143.975%0.74874%0.738SS**  trans-95.5167.5-166.7-45.7161.59600115.7
347Q31.1Very low31.6Very low191 Ų191148.4 Ų148.489%0.89375%0.752SS**  trans176.6155.7137.4-98.2153.179.800109.5
348S29.5Very low31.8Very low80 Ų80144.4 Ų144.456%0.55974%0.742SS**  cis-166.5154.1-17.3-166.20000109
349E32.3Very low31.7Very low165 Ų165140.8 Ų140.877%0.77173%0.73SS**  trans58.8156.1149.9-79.2165.8115.100121.1
350M26.5Very low31Very low146 Ų146144.7 Ų144.772%0.71973%0.731SS**  cis-167.6144.2-19-166.9172.249.400107.5
351M26.3Very low31.5Very low168 Ų168148.5 Ų148.583%0.82874%0.742SS**  167.1157.297.7-84.4-173.872.500111.9
352K27.2Very low31.8Very low172 Ų172145 Ų14575%0.74874%0.736SS**  trans-143164.6170-152.3-143.1173.3-170.60110.3
353P46.2Very low31.7Very low92 Ų92143.6 Ų143.660%0.59773%0.733SS**  -146.1-152.9105.237.3-16.5000111.8
354E28.7Very low31.7Very low164 Ų164145.4 Ų145.477%0.76673%0.734SS**  cis-155.8-157.40-149.4139.78900110
355S28.2Very low31.8Very low104 Ų104144.5 Ų144.573%0.72773%0.726SS**  trans-160.2-176.7170.459.80000111.2
356P44.8Very low31.7Very low129 Ų129144.8 Ų144.884%0.83872%0.721SS**  -159.9-165.2108.541.6-19.5000119
357E34.2Very low31.3Very low167 Ų167144.4 Ų144.478%0.7872%0.724SS**  trans-74.6-176.9-165.7-67.3-167.880.800119.3
358E33.8Very low31.7Very low116 Ų116140.9 Ų140.954%0.54272%0.718SS.*  cis-154.5130.423.9-158.9-136.4130.600117.8R360E358-R360 IonicContact OE1-CZ 3.19Å; E358-R360 IonicContact OE1-NE 2.76Å; E358-R360 PolarHBondContact OE1-NE 3.39Å; E358-R360 IonicContact OE1-NH2 2.8Å; E358-R360 PolarHBondContact OE1-NH2 3.07Å; E358-R360 IonicContact OE2-CZ 3.66Å; E358-R360 IonicContact OE2-NE 3.91Å; E358-R360 IonicContact OE2-NH2 2.78Å; E358-R360 PolarHBondContact OE2-NH2 3.47Å
359I30.9Very low31.5Very low118 Ų118145.6 Ų145.661%0.60573%0.731SS**  trans19.7144.7137.4-42.1160.5000122.6
360R31Very low32.8Very low190 Ų190142.5 Ų142.572%0.71773%0.725SS**  162.8118.7125.2-84.6158.4-154.2-163.811.7119.3E358E358-R360 IonicContact OE1-CZ 3.19Å; E358-R360 IonicContact OE1-NE 2.76Å; E358-R360 PolarHBondContact OE1-NE 3.39Å; E358-R360 IonicContact OE1-NH2 2.8Å; E358-R360 PolarHBondContact OE1-NH2 3.07Å; E358-R360 IonicContact OE2-CZ 3.66Å; E358-R360 IonicContact OE2-NE 3.91Å; E358-R360 IonicContact OE2-NH2 2.78Å; E358-R360 PolarHBondContact OE2-NH2 3.47Å
361K35.2Very low33.5Very low195 Ų195140.1 Ų140.185%0.84872%0.721SS**  41.1150.9124.8-66.5-177.6-178.9-178.20122.5
362S32.2Very low33.7Very low91 Ų91140.5 Ų140.564%0.63672%0.72SS**  cis177.8148.2-5.950.90000113.9
363N28.8Very low33.9Very low140 Ų140139.7 Ų139.775%0.74972%0.719SS**  trans65.5169.3148.2-65.633.6000118.6
364E27.4Very low32.9Very low161 Ų161141.3 Ų141.375%0.75273%0.728SS**  cis-168.3165.2-4.5-115.8166.680.300107.3
365E30Very low32.8Very low134 Ų134137.2 Ų137.263%0.62673%0.729SS**  cis-165.1171.4-15.5-141.7-156.1-176.900112.8
366K27.9Very low33Very low157 Ų157140.4 Ų140.468%0.68374%0.737SS**  trans34.4124.8158-74.9-176.3-172.883.40124.9
367N25.6Very low32.2Very low153 Ų153141 Ų14182%0.81874%0.738SS**  40.9157.8112.9-109.2-14.9000122.8
368P39.2Very low31.9Very low117 Ų117140.6 Ų140.676%0.7674%0.74SS**  cis-138.7-151.70.944.2-22.7000116.4
369Q24.9Very low32.7Very low178 Ų178139.5 Ų139.583%0.83274%0.743SS**  trans-92.6-159.2-157.7-152.9-165.50.800116
370P60.8Low32.5Very low100 Ų100142.1 Ų142.165%0.64975%0.753SS**  -98.2-163.8-117.343.7-26.4000115.1
371P40.9Very low32.4Very low97 Ų97141.2 Ų141.263%0.6376%0.757SS**  -157.9176.285.544.9-24.7000118.2
372E29.7Very low32Very low176 Ų176139.5 Ų139.582%0.82276%0.755SS**  trans42.8157.7132.8-64.3161.6179.500122.4
373E31.9Very low31.8Very low155 Ų155142.4 Ų142.472%0.72476%0.764SS**  cis-164.4157-9.3-123.8-159.8140.400111.2
374T25.8Very low32.9Very low126 Ų126141 Ų14177%0.77376%0.762SS**  trans47.8151.215066.10000124.2
375G26.4Very low32.8Very low77 Ų77141.8 Ų141.879%0.79477%0.766SS**  trans169.9123.1159.200000115.4
376L31.3Very low32.7Very low171 Ų171140.3 Ų140.390%0.89577%0.766SS**  trans-114.7173.7177.1-72.7168.9000111.6
377V27.5Very low32.8Very low143 Ų143140.3 Ų140.387%0.86777%0.768SS**  trans123.2137.9147.5176.60000117.6
378L28.7Very low33Very low158 Ų158139.7 Ų139.783%0.82776%0.761SS**  trans-95.8-161.9176.6-129.471.2000110.2
379P50.7Low32.6Very low92 Ų92141.7 Ų141.760%0.59776%0.757SS**  cis-127.3-172.1-42.140.1-24.9000112.5
380Q26.6Very low32.7Very low174 Ų174138.5 Ų138.581%0.81375%0.75SS**  trans-174.8127.4145-99.1143.9103.300107.4
381E28.6Very low31.1Very low170 Ų170141.7 Ų141.779%0.79476%0.756SS**  59.7140.176.8-61.7-158.6116.300113.8
382I27.7Very low30.3Very low160 Ų160143.1 Ų143.182%0.82176%0.763SS**  cis-146.3159.335.4-29.185.8000113.7
383N27.8Very low30.4Very low151 Ų151144.2 Ų144.281%0.80777%0.765SS**  trans-91.4-158.5165.3-84.5-67.5000111
384P52.4Low31.2Very low111 Ų111141.9 Ų141.972%0.72176%0.764SS**  cis-137.2-163.2-10.837.3-14.8000115.7
385Q25Very low31.3Very low178 Ų178141.8 Ų141.883%0.83276%0.763SS**  trans117.6140.4152.7-63.7-149.2-54.500116.3
386V28.3Very low31.3Very low103 Ų103145.5 Ų145.562%0.62476%0.76SS**  cis-158.5154.1-4.1116.80000111.9
387E30Very low31.2Very low157 Ų157144.5 Ų144.573%0.73475%0.75SS**  trans11.5161.1154.1-52.3174.4115.300122.6
388E27.7Very low31.2Very low140 Ų140145.8 Ų145.865%0.65474%0.744SS**  cis-158.1162.713.5-142.3-171.5157.800114.5
389K32.3Very low31.3Very low159 Ų159145.1 Ų145.169%0.69174%0.742SS**  trans-6.1160.6151.5-65.8166.6-142.9147.40121.2
390T26.2Very low30.2Very low111 Ų111148.1 Ų148.168%0.68175%0.752SS**  cis-179.4165.1-10-83.70000110.3
391Q27.8Very low30.2Very low167 Ų167147.9 Ų147.978%0.7875%0.751SS**  trans104.1115.4147.9-115.1169.510100123.5
392T24.5Very low30.5Very low127 Ų127147.7 Ų147.778%0.77975%0.754SS**  trans69.514513839.60000126.1
393K30.5Very low30.9Very low199 Ų199145.8 Ų145.887%0.86575%0.752SS**  trans-95.5-163.5168-45.5-179175.3-175.70110.7
394P50.3Low30.9Very low106 Ų106146.3 Ų146.369%0.68876%0.755SS**  cis-141.5-164.8-7.933.2-7.5000116.4
395T26.5Very low29.9Very low123 Ų123148.7 Ų148.776%0.75576%0.756SS**  trans71.9157.1156.91.60000117.2
396E26.1Very low30Very low155 Ų155146.2 Ų146.272%0.72475%0.754SS**  cis-148.5176.414.4-163.4172.7114.900113.8K398E396-K398 IonicContact OE1-NZ 2.9Å
397E29.1Very low30.2Very low150 Ų150150.9 Ų150.970%0.70177%0.766SS**  trans-71.4161.9-173.4-39.3167.8134.800116.8
398K29.3Very low30.7Very low171 Ų171149 Ų14974%0.74377%0.768SS**  -168.4153.1112.1-102.5165.1-163.167.30115.1E396E396-K398 IonicContact OE1-NZ 2.9Å
399N29.3Very low30.6Very low144 Ų144154.2 Ų154.277%0.7778%0.781SS**  trans-87.3-179.6173.4-71.2-77.4000112.2
400L28.4Very low30.6Very low155 Ų155155.5 Ų155.581%0.81279%0.789SS**  trans115.2140169.7-66.4166.5000112.1
401E26.7Very low30.7Very low169 Ų169156.5 Ų156.579%0.7980%0.796SS**  cis-169148.9-20.4-166.5164.1-14700106.2
402L35.1Very low31Very low166 Ų166156.6 Ų156.687%0.86980%0.796SS**  trans-84.2153.1171.2-83.9169.6000110.9
403P34.9Very low31.3Very low120 Ų120156.6 Ų156.678%0.77980%0.795SS**  trans-124145.1140.435.8-28.4000112.3
404D28.2Very low31.4Very low162 Ų162155 Ų15587%0.86679%0.791SS**  trans-115-169.4171.7-167.22.1000108.9
405E32Very low30.3Very low160 Ų160159.5 Ų159.575%0.74880%0.8SS**  trans97.3113.8166.8-73-135.497.500120.3
406T26.1Very low30.8Very low127 Ų127159.6 Ų159.678%0.77980%0.802SS**  trans103144.5135.661.30000121.8
407K33.1Very low31.2Very low200 Ų200162 Ų16287%0.8781%0.811SS**  trans-109.5-167-167.3-39.3172.5176.7175.10110.1
408P41.2Very low31.1Very low119 Ų119164.2 Ų164.277%0.77382%0.821SS**  cis-128.2172.4-27.136.1-20.9000113
409R26.3Very low31.1Very low249 Ų249163.5 Ų163.594%0.9483%0.825SS**  trans-162.9143.5149.7-125.6176.4-178-158-3.4114.4
410E31.6Very low31.3Very low185 Ų185167.1 Ų167.186%0.86483%0.828SS**  trans-77.7141.7168.3-60.1161.5103.400111.2
411T27.7Very low31.5Very low133 Ų133165.6 Ų165.682%0.81683%0.828SS**  trans-154.6137.3141.6-48.20000108.7
412H34.9Very low32Very low169 Ų169165.3 Ų165.378%0.78283%0.826SS**  trans-83.7127.1-179.5177.5-72.4000111.5
413V30.1Very low31.8Very low126 Ų126162.5 Ų162.576%0.76482%0.818SS**  trans-141.6145172.3-176.20000109.2
414E31.7Very low31.7Very low165 Ų165165 Ų16577%0.77182%0.823SS**PPolyproline II helixtrans-85.9157-166.9-62.3161.6117.600114.4
415F29Very low32Very low202 Ų202165.2 Ų165.289%0.88682%0.816SS**PPolyproline II helixtrans-82.2122.7169-67.9-94.6000110.8
416P36.3Very low32.1Very low124 Ų124163.4 Ų163.481%0.80582%0.821SS**PPolyproline II helixtrans-71.8146.416031.8-32.6000109.8
417K34.5Very low32.8Very low206 Ų206166.2 Ų166.290%0.89682%0.823SS**PPolyproline II helixtrans-84.8152.9178.9-72.6-175.9178.1-179.40112.6
418E27.1Very low32.7Very low196 Ų196168.1 Ų168.192%0.91683%0.826SS**PPolyproline II helixtrans-60.2141.1172.2-171.9172.2-169.600112.2
419D29.2Very low32.4Very low156 Ų156167.7 Ų167.783%0.83483%0.826SS**  trans-117.6111.8-179.2-172.816.4000109.5
420R34.1Very low32.4Very low221 Ų221163 Ų16383%0.83483%0.825SS**  trans-104.2127.9-176.6-174.2-179.4-177.1174.64.3109.6
421P31.9Very low32.1Very low123 Ų123157.5 Ų157.580%0.79982%0.818SS**PPolyproline II helixtrans-68.6135.6-173.726.7-34.9000113.5
422E36.1Very low32.4Very low162 Ų162160.6 Ų160.676%0.75782%0.82SS**PPolyproline II helixtrans-88.5159174-102.3-164.5-173.400113.4
423P32.8Very low32.1Very low108 Ų108160.3 Ų160.370%0.70182%0.824SS**PPolyproline II helixtrans-81.4166-166.832.4-37000116.3
424I30.9Very low32.2Very low173 Ų173163.2 Ų163.289%0.88783%0.829SS**PPolyproline II helixtrans-67.7126.7-177.3-60.4172.2000111.5
425K35.5Very low32.1Very low165 Ų165163 Ų16372%0.71783%0.832SS**PPolyproline II helixtrans-89.4122-179.6-67172.5-177.5169.90112.1
426S33Very low32.1Very low122 Ų122161.2 Ų161.285%0.85383%0.827SS**PPolyproline II helixtrans-66.4155.9158.857.50000110.3
427K42.2Very low32Very low186 Ų186163.4 Ų163.481%0.80983%0.831SS**PPolyproline II helixtrans-98.4130.2-168.2-58.7-85.6-176.5173.70110.8
428Y30.1Very low31.7Very low240 Ų240164.3 Ų164.394%0.94183%0.829SS**  -166.4153.6114.2-93.7-65000109.2
429S34.6Very low32.2Very low110 Ų110163.1 Ų163.177%0.76982%0.823SS**  trans-128.6127.7-164.356.60000113.2
430V27.5Very low32.3Very low152 Ų152162 Ų16292%0.92182%0.824SS**  trans-126.4154.3160.2179.80000107.5
431G25.1Very low32.2Very low69 Ų69160.5 Ų160.571%0.71182%0.824SS**  trans-67.1160.1-168.200000115.1
432K33.7Very low32.6Very low198 Ų198167 Ų16786%0.86183%0.832SS**  trans-67.8150.6159.5-55.6177.3-179.8-176.80108.8
433D28.6Very low32.2Very low163 Ų163162.6 Ų162.687%0.87283%0.831SS**  -155.3143125.6-89.8-32.9000109.7
434E32.1Very low32.4Very low186 Ų186167.5 Ų167.587%0.86984%0.841SS**  trans31.1119.7162.4-148.1142.6-126.700121.2
435L30.1Very low32.3Very low160 Ų160171.7 Ų171.784%0.83885%0.846SS**  trans-117.886.4174.8-141.7-179.8000110.1
436E28Very low32.2Very low166 Ų166169.7 Ų169.778%0.77685%0.852SS**  trans-77.2126.6163.2-88.1-153.7149.100110.1R438E436-R438 PolarHBondContact O-N 3.27Å
437L35.4Very low32.1Very low170 Ų170171.4 Ų171.489%0.8985%0.852SS**  trans-77.4108177.5-166.777.6000110.1
438R27.1Very low32Very low224 Ų224166.7 Ų166.785%0.84584%0.842SS**  trans-124125.1173.4-125.5-177.7-170-134.22112E436E436-R438 PolarHBondContact O-N 3.27Å
439E38.9Very low32.6Very low171 Ų171160.7 Ų160.780%0.79983%0.826SS**  trans-57.4127.5-178.9-57.9176.7148.200112K441E439-K441 PolarHBondContact O-N 2.79Å
440P30.5Very low33.1Very low133 Ų133163.9 Ų163.986%0.86483%0.829SS**  trans-7491.8176.329.6-33.6000110.6
441K32.2Very low33.6Very low189 Ų189165.3 Ų165.382%0.82282%0.823SS**  trans-57.9138.7166.5-71.3-175.1176.6-177.60110.1E439 G443E439-K441 PolarHBondContact O-N 2.79Å; K441-G443 PolarHBondContact O-N 2.94Å
442R40Very low34.5Very low259 Ų259169 Ų16998%0.97782%0.819SS**  trans-46.5121.4173.9-87.7179.7-84.6-139.9-6.7111.6
443G28.6Very low35Very low70 Ų70168.4 Ų168.472%0.72282%0.817SS**  trans-130.413016600000109.4K441K441-G443 PolarHBondContact O-N 2.94Å
444K37.1Very low35.5Very low212 Ų212169.1 Ų169.192%0.92282%0.815SS**  trans-73.7134.3173.3-68-173.9177.1-171.60109.3
445W28.5Very low35.8Very low261 Ų261170.8 Ų170.899%0.98982%0.815SS**  trans-120.2114.5160.3-82.7-14.8000108.8
446S32.5Very low36.2Very low122 Ų122173.3 Ų173.385%0.85382%0.815SS**PPolyproline II helixtrans-87.4141167.8400000109.8
447L31.2Very low37Very low159 Ų159169.3 Ų169.383%0.83281%0.81SS**PPolyproline II helixtrans-85.4143173.7-140.675.8000109.8
448S40.8Very low37.1Very low86 Ų86169.2 Ų169.260%0.60181%0.81SS**PPolyproline II helixtrans-80.3150.1-179.352.70000113E450S448-E450 PolarHBondContact O-N 2.72Å; S448-E450 VanDerWaalsContact O-N 3.08Å
449D41.4Very low37.4Very low114 Ų114162.6 Ų162.661%0.6181%0.811SS**G310 helixtrans-66.1-10.4-172.6-87.1-47.9000116F451 K452D449-F451 VanDerWaalsContact C-N 3.28Å; D449-F451 PolarHBondContact O-N 3.07Å; D449-K452 PolarHBondContact O-N 3.02Å; D449-K452 WeakPolarHBondContact OD1-CD 3.3Å; D449-K452 VanDerWaalsContact OD1-CE 3.25Å; D449-K452 WeakPolarHBondContact OD1-CE 3.35Å; D449-K452 IonicContact OD1-NZ 2.69Å; D449-K452 PolarHBondContact OD1-NZ 2.99Å
450E45.4Very low37.3Very low178 Ų178159.3 Ų159.383%0.83281%0.807SS**G310 helixtrans-67.4-27.8-173.3-154.4123.1-126.400112.8S448 K452S448-E450 PolarHBondContact O-N 2.72Å; S448-E450 VanDerWaalsContact O-N 3.08Å; E450-K452 VanDerWaalsContact C-N 3.32Å; E450-K452 PolarHBondContact O-N 3.18Å
451F39.1Very low37.4Very low181 Ų181159.9 Ų159.979%0.79480%0.801SS**G310 helixtrans-75-12.4179-102.2-88.1000114.9D449 K453D449-F451 VanDerWaalsContact C-N 3.28Å; D449-F451 PolarHBondContact O-N 3.07Å; F451-K453 VanDerWaalsContact C-N 3.28Å; F451-K453 PolarHBondContact O-N 2.82Å
452K42.8Very low37.2Very low146 Ų146161 Ų16164%0.63580%0.8SS**G310 helixtrans-77.3-8.6-175.5-67.3178.2-177.5166.50114.3D449 E450D449-K452 PolarHBondContact O-N 3.02Å; D449-K452 WeakPolarHBondContact OD1-CD 3.3Å; D449-K452 VanDerWaalsContact OD1-CE 3.25Å; D449-K452 WeakPolarHBondContact OD1-CE 3.35Å; D449-K452 IonicContact OD1-NZ 2.69Å; D449-K452 PolarHBondContact OD1-NZ 2.99Å; E450-K452 VanDerWaalsContact C-N 3.32Å; E450-K452 PolarHBondContact O-N 3.18Å
453K45.6Very low37.2Very low187 Ų187157 Ų15781%0.81379%0.793SS**SBendtrans-100.4-15.7-160-136.4168.5-170.2168.30116.5F451F451-K453 VanDerWaalsContact C-N 3.28Å; F451-K453 PolarHBondContact O-N 2.82Å
454E37.8Very low37.5Very low178 Ų178158.5 Ų158.583%0.83279%0.792SS**SBendtrans-89.4-19.4-176.3-163.8157-148.700113.3Y456E454-Y456 VanDerWaalsContact C-N 3.33Å; E454-Y456 PolarHBondContact O-N 2.9Å
455Y38Very low37.7Very low220 Ų220156 Ų15686%0.86378%0.783SS**THydrogen-bonded Turntrans-76.4-10.4-171.4-141-94.8000115.6
456Y38.8Very low38.1Very low214 Ų214152.5 Ų152.584%0.83978%0.778SS**THydrogen-bonded Turntrans-104.63.8-172.1-79.1-74.9000115.1E454E454-Y456 VanDerWaalsContact C-N 3.33Å; E454-Y456 PolarHBondContact O-N 2.9Å
457A45.1Very low38.9Very low82 Ų82152.4 Ų152.468%0.67878%0.778SS**SBendtrans-101.6-9.1-162.400000117.2
458L38.3Very low39Very low168 Ų168151.1 Ų151.188%0.8878%0.776SS**  trans-119.66.5-166.8-79.3167.4000116.1S460L458-S460 PolarHBondContact O-N 3.32Å
459G33.6Very low39.1Very low85 Ų85150.6 Ų150.688%0.87678%0.784SS**  trans-78.761.5-176.400000116.1
460S36Very low38.7Very low102 Ų102151.2 Ų151.271%0.71379%0.792SS**  trans-171.7115.6154-167.10000114.3L458L458-S460 PolarHBondContact O-N 3.32Å
461I32Very low38.1Very low144 Ų144149.9 Ų149.974%0.73879%0.786SS**  162131.2127.8-85.7165.8000110.5
462R28.6Very low37.5Very low213 Ų213152 Ų15280%0.80479%0.79SS**  trans67.595.5169.6-75.3163.1-179.8-92.7-6.7118.7
463E39.5Very low37.3Very low175 Ų175152.9 Ų152.982%0.81880%0.796SS**  30.1111.5109.1-59.6163154.900117.7
464S34.7Very low36.5Very low101 Ų101152.1 Ų152.171%0.70679%0.793SS**  -170.3138.4106.7-108.30000112.9
465E41.9Very low36.2Very low159 Ų159149 Ų14974%0.74379%0.792SS**  trans46.9127.3160.2-71.2104.2-87.100124.5
466E37.6Very low36Very low189 Ų189146.6 Ų146.688%0.88379%0.788SS**  trans64.875.2141-60.3-172.5167.700121.7
467S49.1Very low36.1Very low120 Ų120141.5 Ų141.584%0.83978%0.781SS**  trans-163.9102143.5-174.90000113
468V32Very low35.2Very low131 Ų131145.9 Ų145.979%0.79479%0.792SS**  trans-151.6128.3166.1-166.20000108.4T470V468-T470 HydrophobicContact CG1-CG2 3.85Å
469G43.2Very low34.8Very low76 Ų76146.5 Ų146.578%0.78479%0.791SS**  cis10236.2-000000114.8
470T33.3Very low34.5Very low126 Ų126152.2 Ų152.277%0.77379%0.791SS**  trans-93.1107.7-177.6530000112.8V468V468-T470 HydrophobicContact CG1-CG2 3.85Å
471H33.7Very low34.1Very low151 Ų151152 Ų15270%0.69979%0.79SS**  trans-70.5160.8154.591.8-18.4000109.9
472Y25.1Very low33.8Very low226 Ų226154.6 Ų154.689%0.88680%0.796SS**  trans-123.8120.2170.9-176.5-93.8000109
473E39.8Very low33.6Very low163 Ų163151.4 Ų151.476%0.76280%0.795SS**  trans-139165.4175.8-164.2162-119.300111
474F28.5Very low33.1Very low171 Ų171148.3 Ų148.375%0.7579%0.788SS**  trans-101.1143.1-147.5166.3-86.9000114
475S32.2Very low32.9Very low114 Ų114148.8 Ų148.880%0.79779%0.791SS**  trans-163.9143.5167.1-85.10000114.1
476Q32.6Very low32.4Very low169 Ų169150.2 Ų150.279%0.7980%0.798SS**  trans-154.9166.3172.2-92.2-150.938.800109.4
477P41.6Very low32Very low106 Ų106147.1 Ų147.169%0.68879%0.791SS**  cis-132.8173.5-25.934.8-18.6000113
478L26.7Very low31.1Very low174 Ų174147.2 Ų147.291%0.91179%0.791SS**  trans-147.2133.8154.9-165.566.2000111.9
479Q29.6Very low31.1Very low181 Ų181145.6 Ų145.685%0.84679%0.785SS**  trans-82.3132.3-175-63.3169.7-41.400113
480K27.5Very low30.6Very low206 Ų206152.8 Ų152.890%0.89679%0.79SS**  trans-163.8126.2137.3-108.1150.7-171.4171.30113.3
481S26.9Very low30.6Very low97 Ų97152 Ų15268%0.67879%0.79SS**  trans-46.1137.9179.951.40000117.8
482F25.7Very low30.4Very low198 Ų198152.3 Ų152.387%0.86880%0.797SS**  trans175.190.3132.1-83.5-57.8000105.9
483D25.5Very low30.8Very low146 Ų146147.7 Ų147.778%0.78179%0.794SS**  90.1138.970.1-167.327.1000113.7
484V27.2Very low30.2Very low110 Ų110145.1 Ų145.167%0.66780%0.795SS**  trans70.9105.8179-163.60000119.1
485S31.4Very low30.3Very low111 Ų111146.2 Ų146.278%0.77680%0.802SS**  trans56.7144.5158.662.30000119.2
486E32.2Very low30.2Very low189 Ų189146.5 Ų146.588%0.88380%0.804SS**  cis-143.6155.915.5-164.2163.7-173.100110.2
487V29.2Very low30.2Very low124 Ų124146.3 Ų146.375%0.75281%0.807SS**  trans-96.6118.2-165.9178.40000112.6
488C29.6Very low29.6Very low122 Ų122147.2 Ų147.282%0.82481%0.811SS**  trans-123.587.6159.8-80.90000109Y490C488-Y490 PolarHBondContact O-N 3.09Å
489S31.6Very low29.8Very low97 Ų97147.6 Ų147.668%0.67881%0.808SS**  trans-76.6113.7172.4-64.20000110
490Y33.5Very low29.8Very low228 Ų228146.7 Ų146.789%0.89481%0.808SS**  trans-67.9140.9153.1-75.6-103000108.5C488C488-Y490 PolarHBondContact O-N 3.09Å
491S32Very low30.2Very low108 Ų108142 Ų14276%0.75580%0.802SS**  trans-142.9127.6169.8-66.70000108.2
492D30.6Very low30.4Very low158 Ų158145.3 Ų145.385%0.84581%0.807SS**  trans-68.4145.4178.9-57.4-80.6000111.6S494D492-S494 PolarHBondContact O-N 2.76Å
493P33.5Very low30.4Very low129 Ų129144.8 Ų144.884%0.83880%0.804SS**  trans-75.7123.6179.430.3-33.7000111.4
494S27.1Very low30.8Very low110 Ų110144.3 Ų144.377%0.76981%0.806SS**  trans-149.5102.2165.6-171.20000110.2D492D492-S494 PolarHBondContact O-N 2.76Å
495E30.1Very low31.1Very low193 Ų193147.9 Ų147.990%0.90282%0.815SS**  trans24.8106.2157.5-61.9177.4172.800119.7
496S30.3Very low30.9Very low120 Ų120151.4 Ų151.484%0.83982%0.82SS**  trans-153.6120.7131.552.30000110.9
497L33.1Very low30.9Very low165 Ų165151.2 Ų151.286%0.86482%0.816SS**  trans-106.3104.1176.9-174.6167.4000108.6
498T28.3Very low30.9Very low125 Ų125154 Ų15477%0.76782%0.82SS**  trans-170.7154.7161-2.10000111.7
499E30.6Very low31.2Very low182 Ų182154.3 Ų154.385%0.8582%0.819SS**  trans63.386.9167.2-60.4-165.8144.400118.6
500L30.2Very low31.1Very low162 Ų162156.5 Ų156.585%0.84883%0.827SS**  trans48.3129.9130.7-10569.2000122.3
501S35.6Very low31.1Very low109 Ų109151.1 Ų151.176%0.76281%0.814SS**  trans-48.7126154.2530000115
502E30.9Very low30.9Very low166 Ų166154.2 Ų154.278%0.77682%0.821SS**  trans-131.2162.6150.5-71.2-158.4145.900110.5
503F26.3Very low31.2Very low186 Ų186150.9 Ų150.982%0.81681%0.811SS**  trans68.471.5175.1-65.9-79.9000118.5
504V34.1Very low31.2Very low136 Ų136153.4 Ų153.482%0.82481%0.811SS**PPolyproline II helixtrans-56.9154.5141174.40000110.2
505H33.2Very low31.4Very low186 Ų186155.9 Ų155.986%0.86182%0.816SS**PPolyproline II helixtrans-51138.9177.9-60.8-22.7000114.2
506E28.1Very low31.5Very low185 Ų185154.9 Ų154.986%0.86482%0.816SS**PPolyproline II helixtrans-87.2143.8166.8-166.7-172.5168.100110.9
507K31.8Very low31.6Very low185 Ų185159 Ų15980%0.80482%0.818SS**  trans82.2120.2165.8-152.2174.9-173174.60114.4
508E29.2Very low31.5Very low181 Ų181159.6 Ų159.685%0.84682%0.817SS**  cis-135.1166.332.4-169.7158.1-159.200113.5
509V35.3Very low31.4Very low130 Ų130160.4 Ų160.479%0.78882%0.816SS**  trans-109.2124.8-165.8177.40000112.9
510V29.8Very low31.7Very low142 Ų142157.9 Ų157.986%0.86181%0.812SS**  trans-137.9132.7155.1-1780000108.9
511D33.9Very low31.6Very low115 Ų115154.8 Ų154.862%0.61580%0.804SS**  trans-88.6136-176.7172.929.8000112.5S513D511-S513 WeakPolarHBondContact OD1-CB 3.41Å; D511-S513 PolarHBondContact OD1-N 3.29Å; D511-S513 PolarHBondContact OD1-OG 3.44Å
512L28.1Very low31.5Very low173 Ų173157.9 Ų157.991%0.90681%0.807SS**  trans-14536.5169-102.4170.8000111.7Q514L512-Q514 PolarHBondContact O-N 2.79Å; L512-Q514 VanDerWaalsContact O-N 3.13Å
513S36.4Very low31.6Very low89 Ų89157.1 Ų157.162%0.62281%0.808SS**THydrogen-bonded Turntrans-84.475.9-17458.20000114.1D511D511-S513 WeakPolarHBondContact OD1-CB 3.41Å; D511-S513 PolarHBondContact OD1-N 3.29Å; D511-S513 PolarHBondContact OD1-OG 3.44Å
514Q33.6Very low31.9Very low182 Ų182155.8 Ų155.885%0.8581%0.809SS**THydrogen-bonded Turntrans-151.7-25172.9-136.6124.2115.800118.9L512L512-Q514 PolarHBondContact O-N 2.79Å; L512-Q514 VanDerWaalsContact O-N 3.13Å
515D30.2Very low32.3Very low161 Ų161158.1 Ų158.186%0.86181%0.811SS**SBendtrans-110.415.5-155.7-113.519.4000117.1
516L32.3Very low32.5Very low172 Ų172155.8 Ų155.890%0.90181%0.81SS**  trans-133.576.6175.4-93.3170.6000112.1
517K32.4Very low33Very low206 Ų206155.6 Ų155.690%0.89681%0.809SS**  trans-149.749.5169.2-154.3164.2-174.8168.70115.1
518E30.9Very low33.3Very low178 Ų178152.3 Ų152.383%0.83281%0.81SS**  trans-153.7135.4163.2-122.8178.7148.400106.2
519L27.1Very low33.7Very low143 Ų143152.3 Ų152.375%0.74981%0.807SS**  cis-116.8165.75.8-94.679.7000112.8
520V35.6Very low33.6Very low128 Ų128153 Ų15378%0.77680%0.801SS**  trans-113.6133.7151.8168.60000108.4E522V520-E522 HydrophobicContact CG1-CG 4.49Å
521S29.8Very low33.8Very low97 Ų97149.9 Ų149.968%0.67880%0.798SS**  trans-157.691.1158550000106.2
522E32.4Very low34.2Very low174 Ų174150.3 Ų150.381%0.81381%0.805SS**  84.5148.487.4-62.9-113.1132.600110.8V520V520-E522 HydrophobicContact CG1-CG 4.49Å
523D33.6Very low34.7Very low151 Ų151147.3 Ų147.381%0.80779%0.794SS**  trans-62.2155.9-153.5-65.7-64.5000117.8
524D32.9Very low35.4Very low157 Ų157148.2 Ų148.284%0.8479%0.791SS**  -149.4146.8118.9-122-28.4000111T526D524-T526 PolarHBondContact O-N 3.26Å
525E41.3Very low37Very low186 Ų186143 Ų14387%0.86977%0.767SS**  trans-72122-171.4-67.2179.188.900113.4
526T37.9Very low39.5Very low136 Ų136136.5 Ų136.583%0.83473%0.731SS**  trans-151.425.9159.4-22.70000115.7D524 S528D524-T526 PolarHBondContact O-N 3.26Å; T526-S528 PolarHBondContact O-N 3.09Å
527Q39.3Very low42.1Very low182 Ų182134.1 Ų134.185%0.8572%0.715SS**  trans-77.2106.5169.7-73.5-168.1-1400111.3
528S37.9Very low44.9Very low116 Ų116124.8 Ų124.881%0.81168%0.675SS**SBendtrans172.534.415344.70000115.1T526T526-S528 PolarHBondContact O-N 3.09Å
529K37.3Very low47.7Very low180 Ų180116.8 Ų116.878%0.78364%0.638SS**SBendtrans-129.74.6173.4-71.9-170.9179.1176.50116.4V533K529-V533 WeakPolarHBondContact O-CG2 3.45Å
530Q33.6Very low50.8Low145 Ų145115.8 Ų115.868%0.67863%0.633SS**G310 helixtrans-79.8-26.8-178.7-75.5169.8-43.200113.8T532Q530-T532 PolarHBondContact O-N 3.14Å
531G33.7Very low53.7Low77 Ų77112.3 Ų112.379%0.79461%0.606SS**G310 helixtrans-68.7-2.2-171.900000117.4
532T42.3Very low56.8Low123 Ų123113 Ų11376%0.75560%0.602SS**G310 helixtrans-131.2-6.8-178.4-17.60000114.2Q530Q530-T532 PolarHBondContact O-N 3.14Å
533V38.3Very low59.8Low111 Ų111106.1 Ų106.167%0.67357%0.573SS**THydrogen-bonded Turntrans-93.7-28.3-172.9179.50000112K529K529-V533 WeakPolarHBondContact O-CG2 3.45Å
534L51.8Low62.8Low108 Ų108105.6 Ų105.657%0.56557%0.565SS**SBendtrans-86.6-22.7-166.2-61.9177.2000115.5F536 E537L534-F536 PolarHBondContact O-N 3Å; L534-E537 PolarHBondContact O-N 3.09Å
535Q66Low65.9Low72 Ų72102.4 Ų102.434%0.33654%0.544SS..THydrogen-bonded Turntrans-56.5-20.8-171.3-74.6-168.2-44.400115.1
536F82.4Confident68.5Low25 Ų2593.6 Ų93.611%0.1150%0.503CS..THydrogen-bonded Turntrans-135.134.1-176.9-55.7-72.2000113.1L534 H538 L539 I621 Y624 L625 L640L534-F536 PolarHBondContact O-N 3Å; F536-H538 AromaticContact CD1-CE1 3.79Å; F536-H538 AromaticContact CD1-NE2 3.69Å; F536-H538 PolarHBondContact O-N 3.4Å; F536-L539 HydrophobicContact CB-CD1 3.66Å; F536-L539 HydrophobicContact CB-CG 3.98Å; F536-L539 HydrophobicContact CG-CD1 4.27Å; F536-L539 WeakPolarHBondContact O-CB 3.33Å; F536-L539 PolarHBondContact O-N 2.89Å; F536-I621 HydrophobicContact CE1-CG2 3.94Å; F536-I621 HydrophobicContact CZ-CG2 4.17Å; F536-Y624 HydrophobicContact CD1-CE1 4.31Å; F536-Y624 AromaticContact CD2-CE1 3.91Å; F536-Y624 HydrophobicContact CD2-CE1 3.91Å; F536-Y624 HydrophobicContact CE1-CD1 4.41Å; F536-Y624 HydrophobicContact CE1-CE1 4.05Å; F536-Y624 HydrophobicContact CE2-CD1 4.43Å; F536-Y624 AromaticContact CE2-CE1 3.62Å; F536-Y624 HydrophobicContact CE2-CE1 3.62Å; F536-Y624 HydrophobicContact CG-CE1 4.25Å; F536-Y624 HydrophobicContact CZ-CD1 4.12Å; F536-Y624 AromaticContact CZ-CE1 3.7Å; F536-Y624 HydrophobicContact CZ-CE1 3.7Å; F536-L625 HydrophobicContact CD1-CD2 3.79Å; F536-L625 HydrophobicContact CE1-CD1 4.41Å; F536-L625 HydrophobicContact CE1-CD2 4Å; F536-L625 HydrophobicContact CE1-CG 4.32Å; F536-L640 HydrophobicContact CE2-CD2 4.26Å; F536-L640 HydrophobicContact CZ-CD2 4.31Å
537E88.6Confident71.3Confident122 Ų12287.1 Ų87.157%0.5746%0.463SS*.G310 helixtrans-53.6-35.7176-175.3178.1174.700112L534 L539 N540L534-E537 PolarHBondContact O-N 3.09Å; E537-L539 PolarHBondContact O-N 3.48Å; E537-L539 VanDerWaalsContact O-N 3.09Å; E537-N540 PolarHBondContact O-N 3.18Å; E537-N540 VanDerWaalsContact O-N 3.08Å
538H89.4Confident74Confident10 Ų1082 Ų825%0.04644%0.439CS..G310 helixtrans-56-25.3176.358.7-113.9000113.8F536 N540 W541 G569 L601 L602F536-H538 AromaticContact CD1-CE1 3.79Å; F536-H538 AromaticContact CD1-NE2 3.69Å; F536-H538 PolarHBondContact O-N 3.4Å; H538-N540 PolarHBondContact O-N 3.43Å; H538-W541 HydrophobicContact CB-CD2 4.15Å; H538-W541 HydrophobicContact CB-CE3 4.35Å; H538-W541 HydrophobicContact CB-CH2 4.37Å; H538-W541 HydrophobicContact CB-CZ2 4.17Å; H538-W541 HydrophobicContact CB-CZ3 4.46Å; H538-W541 WeakPolarHBondContact O-CB 3.48Å; H538-W541 PolarHBondContact O-N 3.33Å; H538-W541 VanDerWaalsContact O-N 3.16Å; H538-G569 VanDerWaalsContact O-CA 3.23Å; H538-G569 WeakPolarHBondContact O-CA 3.45Å; H538-L601 HydrophobicContact CB-CD1 4.2Å; H538-L601 HydrophobicContact CB-CD2 4.35Å; H538-L601 HydrophobicContact CB-CG 4.28Å; H538-L601 PolarHBondContact CE1-O 3.23Å; H538-L601 VanDerWaalsContact CE1-O 3.32Å; H538-L601 PolarHBondContact ND1-O 3.43Å; H538-L601 VanDerWaalsContact ND1-O 3.11Å; H538-L602 VanDerWaalsContact CD2-CD2 3.5Å; H538-L602 WeakPolarHBondContact CD2-CD2 3.45Å; H538-L602 VanDerWaalsContact NE2-CD2 3.31Å; H538-L602 WeakPolarHBondContact NE2-CD2 3.46Å
539L91.3Very high76.8Confident10 Ų1077.9 Ų77.95%0.05241%0.406CS..G310 helixtrans-66.9-18.6178.8-70.1179.3000113.5F536 E537 R570 L625 K628F536-L539 HydrophobicContact CB-CD1 3.66Å; F536-L539 HydrophobicContact CB-CG 3.98Å; F536-L539 HydrophobicContact CG-CD1 4.27Å; F536-L539 WeakPolarHBondContact O-CB 3.33Å; F536-L539 PolarHBondContact O-N 2.89Å; E537-L539 PolarHBondContact O-N 3.48Å; E537-L539 VanDerWaalsContact O-N 3.09Å; L539-R570 HydrophobicContact CB-CG 4.39Å; L539-R570 HydrophobicContact CD2-CB 4.47Å; L539-R570 HydrophobicContact CD2-CG 4.24Å; L539-R570 WeakPolarHBondContact O-CG 3.5Å; L539-L625 HydrophobicContact CD1-CD2 4.13Å; L539-L625 HydrophobicContact CD2-CD2 3.86Å; L539-L625 HydrophobicContact CG-CD2 4.29Å; L539-K628 HydrophobicContact CD1-CD 3.73Å; L539-K628 HydrophobicContact CD1-CG 3.97Å
540N92.4Very high79.6Confident122 Ų12269.3 Ų69.365%0.65237%0.369SS*.G310 helixtrans-93.74178.4-61.8-35.6000112.8E537 H538E537-N540 PolarHBondContact O-N 3.18Å; E537-N540 VanDerWaalsContact O-N 3.08Å; H538-N540 PolarHBondContact O-N 3.43Å
541W95.3Very high82.6Confident54 Ų5464 Ų6421%0.20535%0.348CS..  trans-75.9128.9-179.1-68.22.2000112.8H538 K545 V546 W549 G569 L601H538-W541 HydrophobicContact CB-CD2 4.15Å; H538-W541 HydrophobicContact CB-CE3 4.35Å; H538-W541 HydrophobicContact CB-CH2 4.37Å; H538-W541 HydrophobicContact CB-CZ2 4.17Å; H538-W541 HydrophobicContact CB-CZ3 4.46Å; H538-W541 WeakPolarHBondContact O-CB 3.48Å; H538-W541 PolarHBondContact O-N 3.33Å; H538-W541 VanDerWaalsContact O-N 3.16Å; W541-K545 HydrophobicContact CB-CB 4.11Å; W541-K545 HydrophobicContact CB-CG 4.21Å; W541-K545 HydrophobicContact CD2-CG 4.14Å; W541-K545 HydrophobicContact CG-CB 4.38Å; W541-K545 HydrophobicContact CG-CG 3.92Å; W541-V546 HydrophobicContact CB-CG2 4.07Å; W541-V546 HydrophobicContact CE3-CG2 4.18Å; W541-W549 HydrophobicContact CH2-CB 4.36Å; W541-W549 HydrophobicContact CH2-CG 4.14Å; W541-W549 HydrophobicContact CZ3-CB 3.79Å; W541-W549 HydrophobicContact CZ3-CD2 4.07Å; W541-W549 AromaticContact CZ3-CG 3.72Å; W541-W549 HydrophobicContact CZ3-CG 3.72Å; W541-G569 PolarHBondContact O-N 2.95Å; W541-L601 HydrophobicContact CE3-CD2 4.49Å; W541-L601 HydrophobicContact CH2-CD1 3.87Å; W541-L601 HydrophobicContact CH2-CD2 3.84Å; W541-L601 HydrophobicContact CZ3-CD1 4.45Å; W541-L601 HydrophobicContact CZ3-CD2 3.57Å
542D95.1Very high85.6Confident112 Ų11267.2 Ų67.260%0.59934%0.342SS*.  trans-66159.5167.6-58-71.3000112.1E544 K545 V546D542-E544 PolarHBondContact O-N 3.1Å; D542-K545 WeakPolarHBondContact O-CA 3.41Å; D542-K545 WeakPolarHBondContact O-CB 3.4Å; D542-K545 PolarHBondContact O-N 3.35Å; D542-V546 PolarHBondContact O-N 3.05Å
543P96Very high88.1Confident30 Ų3063.6 Ų63.620%0.19532%0.318CS..Hα-helixtrans-57.3-32.3177.9-24.234000113.8K545 A547 I567P543-K545 VanDerWaalsContact C-N 3.35Å; P543-A547 VanDerWaalsContact O-CB 3.26Å; P543-A547 WeakPolarHBondContact O-CB 3.4Å; P543-A547 PolarHBondContact O-N 2.98Å; P543-I567 WeakPolarHBondContact CA-O 3.48Å
544E96.4Very high90.8Very high139 Ų13960.8 Ų60.865%0.6531%0.311SS*.Hα-helixtrans-64-40.1174-62.6-178.9-17700111.7D542 A547 E548D542-E544 PolarHBondContact O-N 3.1Å; E544-A547 PolarHBondContact O-N 3.43Å; E544-E548 PolarHBondContact O-N 3.16Å
545K96.8Very high92.9Very high91 Ų9156.8 Ų56.840%0.39629%0.289SS..Hα-helixtrans-72.4-39.9179.9-168.471.8-161.4165.50112.2W541 D542 P543 A547 E548 W549W541-K545 HydrophobicContact CB-CB 4.11Å; W541-K545 HydrophobicContact CB-CG 4.21Å; W541-K545 HydrophobicContact CD2-CG 4.14Å; W541-K545 HydrophobicContact CG-CB 4.38Å; W541-K545 HydrophobicContact CG-CG 3.92Å; D542-K545 WeakPolarHBondContact O-CA 3.41Å; D542-K545 WeakPolarHBondContact O-CB 3.4Å; D542-K545 PolarHBondContact O-N 3.35Å; P543-K545 VanDerWaalsContact C-N 3.35Å; K545-A547 VanDerWaalsContact C-N 3.27Å; K545-A547 PolarHBondContact O-N 3.1Å; K545-E548 IonicContact NZ-OE2 3.61Å; K545-E548 PolarHBondContact NZ-OE2 3.21Å; K545-E548 WeakPolarHBondContact O-CB 3.27Å; K545-E548 PolarHBondContact O-N 3.08Å; K545-W549 PolarHBondContact O-N 2.8Å
546V96.9Very high94.3Very high0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-57.8-43.6168.91720000110.6W541 D542 W549 I550 F562 I567 L572W541-V546 HydrophobicContact CB-CG2 4.07Å; W541-V546 HydrophobicContact CE3-CG2 4.18Å; D542-V546 PolarHBondContact O-N 3.05Å; V546-W549 WeakPolarHBondContact O-CB 3.5Å; V546-W549 PolarHBondContact O-N 2.87Å; V546-I550 WeakPolarHBondContact O-CG1 3.26Å; V546-I550 PolarHBondContact O-N 2.99Å; V546-F562 HydrophobicContact CG1-CD1 3.59Å; V546-F562 HydrophobicContact CG1-CE1 4.2Å; V546-F562 HydrophobicContact CG1-CG 4.37Å; V546-I567 WeakPolarHBondContact CB-O 3.42Å; V546-I567 HydrophobicContact CG1-CG2 4.41Å; V546-I567 WeakPolarHBondContact CG2-O 3.47Å; V546-L572 HydrophobicContact CG1-CD2 3.79Å; V546-L572 HydrophobicContact CG2-CD1 4.39Å; V546-L572 HydrophobicContact CG2-CD2 4.49Å; V546-L572 HydrophobicContact CG2-CG 4.44Å
547A96.3Very high94.9Very high0 Ų060.8 Ų60.80%032%0.315CS..Hα-helixtrans-71.5-30.3-17900000113.1P543 E544 K545 S551 K559 F562 I563P543-A547 VanDerWaalsContact O-CB 3.26Å; P543-A547 WeakPolarHBondContact O-CB 3.4Å; P543-A547 PolarHBondContact O-N 2.98Å; E544-A547 PolarHBondContact O-N 3.43Å; K545-A547 VanDerWaalsContact C-N 3.27Å; K545-A547 PolarHBondContact O-N 3.1Å; A547-S551 PolarHBondContact O-N 2.7Å; A547-S551 VanDerWaalsContact O-N 3.09Å; A547-S551 PolarHBondContact O-OG 2.73Å; A547-K559 HydrophobicContact CB-CB 4.49Å; A547-K559 HydrophobicContact CB-CG 3.57Å; A547-K559 WeakPolarHBondContact CB-O 3.46Å; A547-F562 HydrophobicContact CB-CB 4.07Å; A547-I563 HydrophobicContact CB-CD1 3.92Å; A547-I563 HydrophobicContact CB-CG1 3.57Å
548E97.1Very high95.2Very high76 Ų7656.5 Ų56.536%0.35529%0.294SS..Hα-helixtrans-61.5-46.4165.3-73.8-171.8161.500112.2E544 K545 S551 Q552E544-E548 PolarHBondContact O-N 3.16Å; K545-E548 IonicContact NZ-OE2 3.61Å; K545-E548 PolarHBondContact NZ-OE2 3.21Å; K545-E548 WeakPolarHBondContact O-CB 3.27Å; K545-E548 PolarHBondContact O-N 3.08Å; E548-S551 CarbonylContact O-C 3.53Å; E548-S551 WeakPolarHBondContact O-CA 3.42Å; E548-S551 VanDerWaalsContact O-CB 3.27Å; E548-S551 WeakPolarHBondContact O-CB 3.35Å; E548-S551 PolarHBondContact O-N 2.67Å; E548-Q552 WeakPolarHBondContact O-CG 3.4Å; E548-Q552 PolarHBondContact O-N 3.17Å
549W96.6Very high95.5Very high29 Ų2959.5 Ų59.511%0.1131%0.307CS..Hα-helixtrans-60.8-45177.716976.2000111.8W541 K545 V546 S551 Q552 L553 L572 H597 L601W541-W549 HydrophobicContact CH2-CB 4.36Å; W541-W549 HydrophobicContact CH2-CG 4.14Å; W541-W549 HydrophobicContact CZ3-CB 3.79Å; W541-W549 HydrophobicContact CZ3-CD2 4.07Å; W541-W549 AromaticContact CZ3-CG 3.72Å; W541-W549 HydrophobicContact CZ3-CG 3.72Å; K545-W549 PolarHBondContact O-N 2.8Å; V546-W549 WeakPolarHBondContact O-CB 3.5Å; V546-W549 PolarHBondContact O-N 2.87Å; W549-S551 PolarHBondContact O-N 3.47Å; W549-Q552 WeakPolarHBondContact O-CA 3.31Å; W549-Q552 WeakPolarHBondContact O-CB 3.23Å; W549-Q552 PolarHBondContact O-N 3.31Å; W549-L553 HydrophobicContact CD2-CD1 4.17Å; W549-L553 HydrophobicContact CE3-CD1 4.37Å; W549-L553 HydrophobicContact CH2-CD1 3.85Å; W549-L553 HydrophobicContact CZ2-CD1 3.62Å; W549-L553 HydrophobicContact CZ2-CG 4.38Å; W549-L553 HydrophobicContact CZ3-CD1 4.22Å; W549-L553 WeakPolarHBondContact O-CG 3.27Å; W549-L553 PolarHBondContact O-N 2.95Å; W549-L572 HydrophobicContact CZ3-CD2 3.99Å; W549-H597 HydrophobicContact CH2-CB 4.42Å; W549-H597 HydrophobicContact CZ2-CB 4.13Å; W549-H597 WeakPolarHBondContact CZ2-O 3.48Å; W549-L601 HydrophobicContact CD2-CD2 3.94Å; W549-L601 HydrophobicContact CE3-CD2 4.21Å; W549-L601 HydrophobicContact CH2-CB 4.39Å; W549-L601 HydrophobicContact CH2-CD2 3.82Å; W549-L601 HydrophobicContact CZ2-CB 3.81Å; W549-L601 HydrophobicContact CZ2-CD2 3.48Å; W549-L601 VanDerWaalsContact CZ2-CD2 3.48Å; W549-L601 HydrophobicContact CZ2-CG 4.23Å; W549-L601 HydrophobicContact CZ3-CD2 4.16Å
550I96.5Very high95.7Very high0 Ų066.4 Ų66.40%034%0.338CS..Hα-helixtrans-56.8-35.6171.6-67.2-68.4000111.9V546 L553 F555 F562 I594V546-I550 WeakPolarHBondContact O-CG1 3.26Å; V546-I550 PolarHBondContact O-N 2.99Å; I550-L553 HydrophobicContact CD1-CD1 4.36Å; I550-F555 HydrophobicContact CG2-CB 4Å; I550-F555 CarbonylContact O-C 3.38Å; I550-F555 WeakPolarHBondContact O-CA 3.33Å; I550-F555 WeakPolarHBondContact O-CB 3.37Å; I550-F555 PolarHBondContact O-N 3.19Å; I550-F555 VanDerWaalsContact O-N 3.1Å; I550-F562 HydrophobicContact CB-CD2 4.43Å; I550-F562 HydrophobicContact CB-CE2 4.48Å; I550-F562 HydrophobicContact CD1-CD1 4.49Å; I550-F562 HydrophobicContact CD1-CD2 4.34Å; I550-F562 HydrophobicContact CD1-CE1 3.86Å; I550-F562 HydrophobicContact CD1-CE2 3.68Å; I550-F562 HydrophobicContact CD1-CZ 3.42Å; I550-F562 VanDerWaalsContact CD1-CZ 3.42Å; I550-F562 HydrophobicContact CG1-CD1 4.06Å; I550-F562 HydrophobicContact CG1-CD2 3.84Å; I550-F562 HydrophobicContact CG1-CE1 3.93Å; I550-F562 HydrophobicContact CG1-CE2 3.71Å; I550-F562 HydrophobicContact CG1-CG 4.02Å; I550-F562 HydrophobicContact CG1-CZ 3.77Å; I550-F562 HydrophobicContact CG2-CD2 4.11Å; I550-F562 HydrophobicContact CG2-CE2 4.03Å; I550-I594 HydrophobicContact CD1-CG2 3.94Å
551S96.2Very high95.8Very high34 Ų3461.7 Ų61.724%0.23832%0.315CS..Hα-helixtrans-70-37.5174.8-52.20000112.4A547 E548 W549 G554A547-S551 PolarHBondContact O-N 2.7Å; A547-S551 VanDerWaalsContact O-N 3.09Å; A547-S551 PolarHBondContact O-OG 2.73Å; E548-S551 CarbonylContact O-C 3.53Å; E548-S551 WeakPolarHBondContact O-CA 3.42Å; E548-S551 VanDerWaalsContact O-CB 3.27Å; E548-S551 WeakPolarHBondContact O-CB 3.35Å; E548-S551 PolarHBondContact O-N 2.67Å; W549-S551 PolarHBondContact O-N 3.47Å; S551-G554 PolarHBondContact O-N 3.17Å; S551-G554 VanDerWaalsContact O-N 3.16Å
552Q96.4Very high95.8Very high144 Ų14459.1 Ų59.167%0.67331%0.305SS*.Hα-helixtrans-69.8-31177.4-68.4167.115.700112.6E548 W549 G554E548-Q552 WeakPolarHBondContact O-CG 3.4Å; E548-Q552 PolarHBondContact O-N 3.17Å; W549-Q552 WeakPolarHBondContact O-CA 3.31Å; W549-Q552 WeakPolarHBondContact O-CB 3.23Å; W549-Q552 PolarHBondContact O-N 3.31Å; Q552-G554 PolarHBondContact O-N 2.86Å; Q552-G554 VanDerWaalsContact O-N 3.16Å
553L94.4Very high95.8Very high47 Ų4756.7 Ų56.725%0.24629%0.291CS..THydrogen-bonded Turntrans-66.9-3.5169.7-67-179.9000114W549 I550 F555 H597W549-L553 HydrophobicContact CD2-CD1 4.17Å; W549-L553 HydrophobicContact CE3-CD1 4.37Å; W549-L553 HydrophobicContact CH2-CD1 3.85Å; W549-L553 HydrophobicContact CZ2-CD1 3.62Å; W549-L553 HydrophobicContact CZ2-CG 4.38Å; W549-L553 HydrophobicContact CZ3-CD1 4.22Å; W549-L553 WeakPolarHBondContact O-CG 3.27Å; W549-L553 PolarHBondContact O-N 2.95Å; I550-L553 HydrophobicContact CD1-CD1 4.36Å; L553-F555 HydrophobicContact CB-CD2 3.8Å; L553-F555 HydrophobicContact CB-CE2 4.19Å; L553-F555 WeakPolarHBondContact O-CE2 3.3Å; L553-H597 HydrophobicContact CD1-CB 3.53Å; L553-H597 HydrophobicContact CD2-CB 3.93Å; L553-H597 HydrophobicContact CG-CB 4.39Å
554G95.3Very high95.8Very high52 Ų5259.8 Ų59.854%0.53631%0.31SS..THydrogen-bonded Turntrans91.113.6-17800000114.8S551 Q552 P556S551-G554 PolarHBondContact O-N 3.17Å; S551-G554 VanDerWaalsContact O-N 3.16Å; Q552-G554 PolarHBondContact O-N 2.86Å; Q552-G554 VanDerWaalsContact O-N 3.16Å; G554-P556 VanDerWaalsContact O-CD 3.23Å; G554-P556 WeakPolarHBondContact O-CD 3.42Å
555F95Very high95.7Very high24 Ų2454 Ų5411%0.10528%0.283CS..  trans-11447.8179-56.7-79000114.2I550 L553 Q557 Y558 D590 A593 I594I550-F555 HydrophobicContact CG2-CB 4Å; I550-F555 CarbonylContact O-C 3.38Å; I550-F555 WeakPolarHBondContact O-CA 3.33Å; I550-F555 WeakPolarHBondContact O-CB 3.37Å; I550-F555 PolarHBondContact O-N 3.19Å; I550-F555 VanDerWaalsContact O-N 3.1Å; L553-F555 HydrophobicContact CB-CD2 3.8Å; L553-F555 HydrophobicContact CB-CE2 4.19Å; L553-F555 WeakPolarHBondContact O-CE2 3.3Å; F555-Q557 VanDerWaalsContact C-OE1 3.24Å; F555-Q557 PolarHBondContact O-N 3.04Å; F555-Q557 VanDerWaalsContact O-N 3.09Å; F555-Y558 HydrophobicContact CB-CD2 4.02Å; F555-Y558 HydrophobicContact CD1-CD2 4.39Å; F555-Y558 HydrophobicContact CD1-CE2 4.36Å; F555-Y558 PolarHBondContact O-N 2.95Å; F555-D590 HydrophobicContact CD1-CB 3.99Å; F555-D590 HydrophobicContact CE1-CB 3.71Å; F555-A593 HydrophobicContact CE1-CB 4.47Å; F555-A593 HydrophobicContact CE2-CB 4.07Å; F555-A593 HydrophobicContact CZ-CB 3.54Å; F555-I594 HydrophobicContact CB-CD1 4.43Å; F555-I594 HydrophobicContact CD1-CD1 4.33Å; F555-I594 HydrophobicContact CD1-CG1 4.48Å; F555-I594 HydrophobicContact CD2-CD1 4.42Å; F555-I594 HydrophobicContact CD2-CG1 3.87Å; F555-I594 HydrophobicContact CE2-CG1 4.11Å; F555-I594 HydrophobicContact CG-CD1 4.13Å; F555-I594 HydrophobicContact CG-CG1 4.09Å
556P95.6Very high95.6Very high77 Ų7755.8 Ų55.850%0.529%0.292SS..G310 helixtrans-60.1-24.9-176.928.4-36.5000113.4G554 Y558 K559G554-P556 VanDerWaalsContact O-CD 3.23Å; G554-P556 WeakPolarHBondContact O-CD 3.42Å; P556-Y558 PolarHBondContact O-N 3Å; P556-Y558 VanDerWaalsContact O-N 3.14Å; P556-K559 VanDerWaalsContact O-CB 3.31Å; P556-K559 WeakPolarHBondContact O-CB 3.25Å; P556-K559 PolarHBondContact O-N 3.16Å; P556-K559 VanDerWaalsContact O-N 3.09Å
557Q95Very high95.5Very high103 Ų10356 Ų5648%0.48129%0.293SS..G310 helixtrans-60.1-19.9174.669.6-82.614.300113.9F555F555-Q557 VanDerWaalsContact C-OE1 3.24Å; F555-Q557 PolarHBondContact O-N 3.04Å; F555-Q557 VanDerWaalsContact O-N 3.09Å
558Y95.7Very high95.4Very high32 Ų3257.5 Ų57.513%0.12530%0.303CS..G310 helixtrans-103.13.8178.3-57.7-45.8000113.5F555 P556 E560 C561 F562 I585 D590 I594F555-Y558 HydrophobicContact CB-CD2 4.02Å; F555-Y558 HydrophobicContact CD1-CD2 4.39Å; F555-Y558 HydrophobicContact CD1-CE2 4.36Å; F555-Y558 PolarHBondContact O-N 2.95Å; P556-Y558 PolarHBondContact O-N 3Å; P556-Y558 VanDerWaalsContact O-N 3.14Å; Y558-E560 PolarHBondContact O-N 3.04Å; Y558-C561 WeakPolarHBondContact O-CB 3.5Å; Y558-C561 PolarHBondContact O-N 3.19Å; Y558-F562 WeakPolarHBondContact O-CD2 3.15Å; Y558-F562 PolarHBondContact O-N 2.96Å; Y558-I585 HydrophobicContact CD1-CD1 4.27Å; Y558-I585 HydrophobicContact CD1-CG1 3.73Å; Y558-I585 HydrophobicContact CD1-CG2 4.4Å; Y558-I585 HydrophobicContact CD2-CD1 4.38Å; Y558-I585 HydrophobicContact CD2-CG1 4.44Å; Y558-I585 HydrophobicContact CD2-CG2 4.09Å; Y558-I585 HydrophobicContact CE1-CB 4.49Å; Y558-I585 HydrophobicContact CE1-CG1 4.17Å; Y558-I585 HydrophobicContact CE1-CG2 4.2Å; Y558-I585 HydrophobicContact CE2-CG2 3.88Å; Y558-I585 HydrophobicContact CG-CD1 3.92Å; Y558-I585 HydrophobicContact CG-CG1 3.89Å; Y558-I585 HydrophobicContact CG-CG2 4.36Å; Y558-D590 HydrophobicContact CE2-CB 3.8Å; Y558-D590 WeakPolarHBondContact CE2-OD2 3.25Å; Y558-D590 PolarHBondContact OH-OD2 2.91Å; Y558-D590 VanDerWaalsContact OH-OD2 3.1Å; Y558-I594 HydrophobicContact CD2-CD1 3.79Å; Y558-I594 HydrophobicContact CE2-CD1 4.29Å
559K95.4Very high95.2Very high74 Ų7454 Ų5432%0.32229%0.287SS..Hα-helixtrans-52-45.6176.4-167.9178.2-172.71740111.4A547 P556 C561 F562 I563A547-K559 HydrophobicContact CB-CB 4.49Å; A547-K559 HydrophobicContact CB-CG 3.57Å; A547-K559 WeakPolarHBondContact CB-O 3.46Å; P556-K559 VanDerWaalsContact O-CB 3.31Å; P556-K559 WeakPolarHBondContact O-CB 3.25Å; P556-K559 PolarHBondContact O-N 3.16Å; P556-K559 VanDerWaalsContact O-N 3.09Å; K559-C561 PolarHBondContact O-N 3.18Å; K559-F562 PolarHBondContact O-N 3.24Å; K559-I563 HydrophobicContact CG-CD1 4.1Å; K559-I563 WeakPolarHBondContact O-CG1 3.38Å; K559-I563 PolarHBondContact O-N 3.1Å
560E94.8Very high95.1Very high154 Ų15455 Ų5572%0.7229%0.291SS*.Hα-helixtrans-67.4-34.1179.8-65.9173.7-172.400112.5Y558 F562 I563 T564Y558-E560 PolarHBondContact O-N 3.04Å; E560-F562 PolarHBondContact O-N 3.39Å; E560-I563 PolarHBondContact O-N 2.84Å; E560-T564 WeakPolarHBondContact O-CB 3.19Å; E560-T564 VanDerWaalsContact O-CG2 3.3Å; E560-T564 WeakPolarHBondContact O-CG2 3.27Å; E560-T564 PolarHBondContact O-N 2.99Å; E560-T564 PolarHBondContact O-OG1 2.78Å
561C94.8Very high95Very high24 Ų2457.5 Ų57.516%0.16230%0.302CS..Hα-helixtrans-62.2-41.9175.7-60.40000112.2Y558 K559 T564 N565 I585Y558-C561 WeakPolarHBondContact O-CB 3.5Å; Y558-C561 PolarHBondContact O-N 3.19Å; K559-C561 PolarHBondContact O-N 3.18Å; C561-T564 PolarHBondContact O-OG1 3.27Å; C561-N565 WeakPolarHBondContact O-CB 3.39Å; C561-N565 PolarHBondContact O-N 2.82Å; C561-N565 PolarHBondContact O-ND2 2.88Å; C561-I585 HydrophobicContact CB-CD1 4.07Å; C561-I585 HydrophobicContact CB-CG1 4.09Å
562F95.3Very high94.9Very high0 Ų055.9 Ų55.90%029%0.29CS..Hα-helixtrans-72.9-37.1179.6-79.6-100.6000112.6V546 A547 I550 Y558 K559 E560 F566 I567 V575 L580 M583 I585 I594V546-F562 HydrophobicContact CG1-CD1 3.59Å; V546-F562 HydrophobicContact CG1-CE1 4.2Å; V546-F562 HydrophobicContact CG1-CG 4.37Å; A547-F562 HydrophobicContact CB-CB 4.07Å; I550-F562 HydrophobicContact CB-CD2 4.43Å; I550-F562 HydrophobicContact CB-CE2 4.48Å; I550-F562 HydrophobicContact CD1-CD1 4.49Å; I550-F562 HydrophobicContact CD1-CD2 4.34Å; I550-F562 HydrophobicContact CD1-CE1 3.86Å; I550-F562 HydrophobicContact CD1-CE2 3.68Å; I550-F562 HydrophobicContact CD1-CZ 3.42Å; I550-F562 VanDerWaalsContact CD1-CZ 3.42Å; I550-F562 HydrophobicContact CG1-CD1 4.06Å; I550-F562 HydrophobicContact CG1-CD2 3.84Å; I550-F562 HydrophobicContact CG1-CE1 3.93Å; I550-F562 HydrophobicContact CG1-CE2 3.71Å; I550-F562 HydrophobicContact CG1-CG 4.02Å; I550-F562 HydrophobicContact CG1-CZ 3.77Å; I550-F562 HydrophobicContact CG2-CD2 4.11Å; I550-F562 HydrophobicContact CG2-CE2 4.03Å; Y558-F562 WeakPolarHBondContact O-CD2 3.15Å; Y558-F562 PolarHBondContact O-N 2.96Å; K559-F562 PolarHBondContact O-N 3.24Å; E560-F562 PolarHBondContact O-N 3.39Å; F562-F566 PolarHBondContact O-N 2.98Å; F562-I567 HydrophobicContact CD1-CB 3.86Å; F562-I567 HydrophobicContact CD1-CG1 4.22Å; F562-I567 HydrophobicContact CD1-CG2 3.79Å; F562-I567 HydrophobicContact CE1-CG2 4.17Å; F562-I567 PolarHBondContact O-N 3.1Å; F562-V575 HydrophobicContact CE1-CG1 3.95Å; F562-V575 HydrophobicContact CE1-CG2 4.04Å; F562-V575 HydrophobicContact CZ-CG1 3.92Å; F562-L580 HydrophobicContact CZ-CD2 4.21Å; F562-M583 HydrophobicContact CD1-CE 3.85Å; F562-M583 HydrophobicContact CD2-CE 3.86Å; F562-M583 HydrophobicContact CE1-CE 3.9Å; F562-M583 HydrophobicContact CE2-CE 3.92Å; F562-M583 HydrophobicContact CG-CE 3.83Å; F562-M583 HydrophobicContact CZ-CE 3.93Å; F562-I585 HydrophobicContact CD2-CD1 4.19Å; F562-I585 HydrophobicContact CE2-CD1 3.51Å; F562-I585 HydrophobicContact CZ-CD1 4.3Å; F562-I594 HydrophobicContact CZ-CG2 4.06Å
563I95.6Very high94.8Very high60 Ų6049.1 Ų49.131%0.30826%0.259SS..Hα-helixtrans-68-50.9176.5-64.5169.8000110.8A547 K559 E560 N565 F566A547-I563 HydrophobicContact CB-CD1 3.92Å; A547-I563 HydrophobicContact CB-CG1 3.57Å; K559-I563 HydrophobicContact CG-CD1 4.1Å; K559-I563 WeakPolarHBondContact O-CG1 3.38Å; K559-I563 PolarHBondContact O-N 3.1Å; E560-I563 PolarHBondContact O-N 2.84Å; I563-N565 VanDerWaalsContact C-N 3.29Å; I563-N565 PolarHBondContact O-N 3.41Å; I563-F566 PolarHBondContact O-N 3.36Å
564T95.4Very high94.6Very high95 Ų9548.5 Ų48.558%0.58325%0.254SS*.Hα-helixtrans-64.6-29-176.550.20000114E560 C561 F566E560-T564 WeakPolarHBondContact O-CB 3.19Å; E560-T564 VanDerWaalsContact O-CG2 3.3Å; E560-T564 WeakPolarHBondContact O-CG2 3.27Å; E560-T564 PolarHBondContact O-N 2.99Å; E560-T564 PolarHBondContact O-OG1 2.78Å; C561-T564 PolarHBondContact O-OG1 3.27Å; T564-F566 VanDerWaalsContact C-N 3.32Å; T564-F566 WeakPolarHBondContact O-CD2 3.37Å
565N94.3Very high94.5Very high17 Ų1746.1 Ų46.19%0.09123%0.23CC..THydrogen-bonded Turntrans-90.36.5174.4-68.2-84.6000113.1F116 C561 I563 I567 M583F116-N565 WeakPolarHBondContact CE2-OD1 3.34Å; F116-N565 WeakPolarHBondContact CZ-OD1 3.23Å; C561-N565 WeakPolarHBondContact O-CB 3.39Å; C561-N565 PolarHBondContact O-N 2.82Å; C561-N565 PolarHBondContact O-ND2 2.88Å; I563-N565 VanDerWaalsContact C-N 3.29Å; I563-N565 PolarHBondContact O-N 3.41Å; N565-I567 VanDerWaalsContact C-N 3.31Å; N565-I567 HydrophobicContact CB-CD1 3.99Å; N565-I567 HydrophobicContact CB-CG1 3.93Å; N565-I567 PolarHBondContact O-N 3.05Å; N565-M583 HydrophobicContact CB-CG 4.15Å
566F94Very high94.3Very high130 Ų13046.7 Ų46.757%0.5723%0.234SC*.THydrogen-bonded Turntrans51.344.8179.7-58.9-88.9000113.1F562 I563 T564 S568 K571F562-F566 PolarHBondContact O-N 2.98Å; I563-F566 PolarHBondContact O-N 3.36Å; T564-F566 VanDerWaalsContact C-N 3.32Å; T564-F566 WeakPolarHBondContact O-CD2 3.37Å; F566-S568 PolarHBondContact O-N 2.87Å; F566-K571 VanDerWaalsContact O-CD 3.27Å; F566-K571 WeakPolarHBondContact O-CD 3.39Å; F566-K571 WeakPolarHBondContact O-CE 3.46Å; F566-K571 PolarHBondContact O-NZ 3.38Å
567I95Very high94.1Very high4 Ų445.3 Ų45.32%0.02123%0.225CC..  trans-80.686.3-178.5-52.8-58.2000109.7F117 P543 V546 F562 N565 K571 V575 M583F117-I567 HydrophobicContact CE2-CD1 4.21Å; F117-I567 HydrophobicContact CZ-CD1 3.84Å; P543-I567 WeakPolarHBondContact CA-O 3.48Å; V546-I567 WeakPolarHBondContact CB-O 3.42Å; V546-I567 HydrophobicContact CG1-CG2 4.41Å; V546-I567 WeakPolarHBondContact CG2-O 3.47Å; F562-I567 HydrophobicContact CD1-CB 3.86Å; F562-I567 HydrophobicContact CD1-CG1 4.22Å; F562-I567 HydrophobicContact CD1-CG2 3.79Å; F562-I567 HydrophobicContact CE1-CG2 4.17Å; F562-I567 PolarHBondContact O-N 3.1Å; N565-I567 VanDerWaalsContact C-N 3.31Å; N565-I567 HydrophobicContact CB-CD1 3.99Å; N565-I567 HydrophobicContact CB-CG1 3.93Å; N565-I567 PolarHBondContact O-N 3.05Å; I567-K571 HydrophobicContact CD1-CD 4.39Å; I567-K571 HydrophobicContact CG2-CB 4.11Å; I567-V575 HydrophobicContact CG2-CG2 3.76Å; I567-M583 HydrophobicContact CD1-CE 4.4Å; I567-M583 HydrophobicContact CD1-SD 4.09Å; I567-M583 HydrophobicContact CG1-CE 3.67Å; I567-M583 HydrophobicContact CG1-SD 4.01Å
568S94.3Very high93.8Very high32 Ų3245 Ų4522%0.22424%0.235CC..  trans-70.9166.3167.658.20000111.4F566 R570 K571F566-S568 PolarHBondContact O-N 2.87Å; S568-R570 PolarHBondContact O-N 3.21Å; S568-K571 WeakPolarHBondContact O-CA 3.39Å; S568-K571 WeakPolarHBondContact O-CB 3.37Å; S568-K571 PolarHBondContact O-N 2.8Å
569G94.5Very high93.6Very high1 Ų145.9 Ų45.91%0.0124%0.242CC..G310 helixtrans-54.7-35.8-178.700000114.4H538 W541 K571 L572H538-G569 VanDerWaalsContact O-CA 3.23Å; H538-G569 WeakPolarHBondContact O-CA 3.45Å; W541-G569 PolarHBondContact O-N 2.95Å; G569-K571 VanDerWaalsContact C-N 3.26Å; G569-K571 PolarHBondContact O-N 3.02Å; G569-L572 VanDerWaalsContact O-CB 3.27Å; G569-L572 WeakPolarHBondContact O-CB 3.5Å; G569-L572 WeakPolarHBondContact O-CG 3.42Å; G569-L572 PolarHBondContact O-N 3.24Å
570R93Very high93.6Very high52 Ų5242.4 Ų42.420%0.19623%0.226CC..G310 helixtrans-60.7-30.9172.9-58.3-162.7-177-170.24.6114.1L539 S568 L572 G629 D636L539-R570 HydrophobicContact CB-CG 4.39Å; L539-R570 HydrophobicContact CD2-CB 4.47Å; L539-R570 HydrophobicContact CD2-CG 4.24Å; L539-R570 WeakPolarHBondContact O-CG 3.5Å; S568-R570 PolarHBondContact O-N 3.21Å; R570-L572 VanDerWaalsContact C-N 3.35Å; R570-G629 WeakPolarHBondContact O-CA 3.42Å; R570-D636 IonicContact CZ-OD1 3.43Å; R570-D636 IonicContact NH1-OD1 2.73Å; R570-D636 PolarHBondContact NH1-OD1 3.03Å; R570-D636 IonicContact NH2-OD1 3.42Å; R570-D636 PolarHBondContact NH2-OD1 3.29Å
571K94Very high93.6Very high51 Ų5137.6 Ų37.622%0.22221%0.208CC..G310 helixtrans-83.8-7.5179.7-67.9173173.5-1790113.2F117 F566 I567 S568 G569 I573 H574F117-K571 HydrophobicContact CE2-CD 3.82Å; F117-K571 HydrophobicContact CZ-CB 4.36Å; F117-K571 HydrophobicContact CZ-CD 3.8Å; F117-K571 HydrophobicContact CZ-CG 4.19Å; F566-K571 VanDerWaalsContact O-CD 3.27Å; F566-K571 WeakPolarHBondContact O-CD 3.39Å; F566-K571 WeakPolarHBondContact O-CE 3.46Å; F566-K571 PolarHBondContact O-NZ 3.38Å; I567-K571 HydrophobicContact CD1-CD 4.39Å; I567-K571 HydrophobicContact CG2-CB 4.11Å; S568-K571 WeakPolarHBondContact O-CA 3.39Å; S568-K571 WeakPolarHBondContact O-CB 3.37Å; S568-K571 PolarHBondContact O-N 2.8Å; G569-K571 VanDerWaalsContact C-N 3.26Å; G569-K571 PolarHBondContact O-N 3.02Å; K571-I573 PolarHBondContact O-N 3.23Å; K571-H574 WeakPolarHBondContact O-CB 3.47Å; K571-H574 PolarHBondContact O-N 3.32Å
572L94.4Very high93.4Very high0 Ų042.3 Ų42.30%023%0.228CC..G310 helixtrans-55.8-33.2178.9-74172.2000112.5V546 W549 G569 R570 H574 V575 T598 L601 L602V546-L572 HydrophobicContact CG1-CD2 3.79Å; V546-L572 HydrophobicContact CG2-CD1 4.39Å; V546-L572 HydrophobicContact CG2-CD2 4.49Å; V546-L572 HydrophobicContact CG2-CG 4.44Å; W549-L572 HydrophobicContact CZ3-CD2 3.99Å; G569-L572 VanDerWaalsContact O-CB 3.27Å; G569-L572 WeakPolarHBondContact O-CB 3.5Å; G569-L572 WeakPolarHBondContact O-CG 3.42Å; G569-L572 PolarHBondContact O-N 3.24Å; R570-L572 VanDerWaalsContact C-N 3.35Å; L572-H574 PolarHBondContact O-N 3.21Å; L572-H574 VanDerWaalsContact O-N 3.09Å; L572-V575 HydrophobicContact CD2-CG2 4.33Å; L572-V575 WeakPolarHBondContact O-CB 3.49Å; L572-V575 PolarHBondContact O-N 2.74Å; L572-T598 HydrophobicContact CB-CG2 4.28Å; L572-T598 WeakPolarHBondContact O-CG2 3.49Å; L572-L601 HydrophobicContact CD1-CD2 3.77Å; L572-L602 HydrophobicContact CB-CD1 4.04Å; L572-L602 HydrophobicContact CB-CD2 4.14Å; L572-L602 HydrophobicContact CB-CG 4.44Å
573I94Very high93.2Very high2 Ų243.2 Ų43.21%0.0123%0.233CC..G310 helixtrans-59.4-23.4176.6-168.457.2000113.6K571 N576 L602 I604 R618 L625 E626K571-I573 PolarHBondContact O-N 3.23Å; I573-N576 PolarHBondContact O-ND2 3.18Å; I573-L602 HydrophobicContact CB-CD1 4.2Å; I573-L602 HydrophobicContact CD1-CD1 4.13Å; I573-I604 HydrophobicContact CD1-CD1 3.67Å; I573-R618 PolarHBondContact O-NH2 2.82Å; I573-L625 HydrophobicContact CB-CB 4.29Å; I573-L625 HydrophobicContact CD1-CB 3.99Å; I573-L625 HydrophobicContact CD1-CD1 4.43Å; I573-L625 HydrophobicContact CG1-CB 3.94Å; I573-E626 HydrophobicContact CD1-CG 4.37Å; I573-E626 HydrophobicContact CG1-CB 4.5Å; I573-E626 HydrophobicContact CG1-CG 3.47Å; I573-E626 VanDerWaalsContact CG1-CG 3.47Å; I573-E626 HydrophobicContact CG2-CG 4.38Å
574H91.8Very high93Very high34 Ų3442.5 Ų42.516%0.15724%0.24CC..G310 helixtrans-90.7-8174.7-53.1-55.9000113.5F117 K571 L572 N576 N579F117-H574 HydrophobicContact CE1-CB 4.03Å; F117-H574 AromaticContact CE1-CD2 3.8Å; K571-H574 WeakPolarHBondContact O-CB 3.47Å; K571-H574 PolarHBondContact O-N 3.32Å; L572-H574 PolarHBondContact O-N 3.21Å; L572-H574 VanDerWaalsContact O-N 3.09Å; H574-N576 WeakPolarHBondContact CA-ND2 3.44Å; H574-N576 PolarHBondContact O-N 3.06Å; H574-N576 PolarHBondContact O-ND2 3.09Å; H574-N576 VanDerWaalsContact O-ND2 3.1Å; H574-N579 PolarHBondContact O-ND2 2.99Å
575V93.2Very high92.9Very high3 Ų338 Ų382%0.01821%0.213CC..  trans-7985.8177.5-177.40000109.7F562 I567 L572 L580 I594 T598F562-V575 HydrophobicContact CE1-CG1 3.95Å; F562-V575 HydrophobicContact CE1-CG2 4.04Å; F562-V575 HydrophobicContact CZ-CG1 3.92Å; I567-V575 HydrophobicContact CG2-CG2 3.76Å; L572-V575 HydrophobicContact CD2-CG2 4.33Å; L572-V575 WeakPolarHBondContact O-CB 3.49Å; L572-V575 PolarHBondContact O-N 2.74Å; V575-L580 HydrophobicContact CG1-CD1 4.5Å; V575-L580 HydrophobicContact CG1-CD2 3.66Å; V575-L580 HydrophobicContact CG1-CG 4.13Å; V575-I594 HydrophobicContact CG1-CG2 4.18Å; V575-T598 HydrophobicContact CB-CG2 4.19Å
576N90.6Very high93Very high36 Ų3642.5 Ų42.519%0.19324%0.241CC..SBendtrans-128163.8-178.3-58.2-96.9000109.9I573 H574 S578 N579 L580I573-N576 PolarHBondContact O-ND2 3.18Å; H574-N576 WeakPolarHBondContact CA-ND2 3.44Å; H574-N576 PolarHBondContact O-N 3.06Å; H574-N576 PolarHBondContact O-ND2 3.09Å; H574-N576 VanDerWaalsContact O-ND2 3.1Å; N576-S578 PolarHBondContact O-N 3.26Å; N576-N579 PolarHBondContact O-N 3.11Å; N576-L580 PolarHBondContact O-N 3.16Å
577C90.4Very high93Very high47 Ų4739.6 Ų39.632%0.31823%0.232SC..THydrogen-bonded Turntrans-51.4-27179.2-65.80000115P581 M591 S595C577-P581 WeakPolarHBondContact O-CD 3.46Å; C577-M591 HydrophobicContact CB-CE 4.45Å; C577-M591 WeakPolarHBondContact O-CE 3.5Å; C577-S595 PolarHBondContact N-OG 2.71Å; C577-S595 PolarHBondContact SG-OG 3.22Å
578S89.6Confident93Very high97 Ų9745.6 Ų45.668%0.67826%0.258SS*.THydrogen-bonded Turntrans-73.7-28.9176.3-51.50000113.7N576N576-S578 PolarHBondContact O-N 3.26Å
579N91.8Very high93.1Very high51 Ų5149.5 Ų49.527%0.27327%0.272SS..THydrogen-bonded Turntrans-107.1-28.4-166.7-59.30.2000111.9H574 N576 P581 Q582 M583H574-N579 PolarHBondContact O-ND2 2.99Å; N576-N579 PolarHBondContact O-N 3.11Å; N579-P581 VanDerWaalsContact C-CD 3.41Å; N579-P581 VanDerWaalsContact C-N 3.31Å; N579-Q582 VanDerWaalsContact O-CB 3.3Å; N579-Q582 WeakPolarHBondContact O-CB 3.3Å; N579-Q582 PolarHBondContact O-N 2.88Å; N579-M583 PolarHBondContact O-N 3.06Å
580L93.8Very high93.1Very high0 Ų050.6 Ų50.60%028%0.278CS..THydrogen-bonded Turntrans-50-40173.4-76.3165.4000114F562 V575 N576 Q582 M583 G584 I585 M591 I594 S595F562-L580 HydrophobicContact CZ-CD2 4.21Å; V575-L580 HydrophobicContact CG1-CD1 4.5Å; V575-L580 HydrophobicContact CG1-CD2 3.66Å; V575-L580 HydrophobicContact CG1-CG 4.13Å; N576-L580 PolarHBondContact O-N 3.16Å; L580-Q582 VanDerWaalsContact C-N 3.28Å; L580-Q582 PolarHBondContact O-N 3.35Å; L580-M583 PolarHBondContact O-N 2.9Å; L580-G584 PolarHBondContact O-N 2.87Å; L580-I585 CarbonylContact C-O 3.52Å; L580-I585 HydrophobicContact CB-CB 4.22Å; L580-I585 HydrophobicContact CB-CG2 4.49Å; L580-I585 HydrophobicContact CD2-CB 4.35Å; L580-I585 HydrophobicContact CD2-CD1 3.71Å; L580-I585 HydrophobicContact CD2-CG2 4.46Å; L580-I585 WeakPolarHBondContact O-CB 3.23Å; L580-I585 PolarHBondContact O-N 3.29Å; L580-M591 HydrophobicContact CB-CG 4.12Å; L580-M591 HydrophobicContact CD1-CB 4.19Å; L580-M591 HydrophobicContact CD1-CG 4.35Å; L580-I594 HydrophobicContact CD1-CB 4.41Å; L580-I594 HydrophobicContact CD1-CG2 4.25Å; L580-I594 HydrophobicContact CD2-CG2 4.06Å; L580-S595 VanDerWaalsContact CD1-OG 3.3Å; L580-S595 WeakPolarHBondContact CD1-OG 3.31Å
581P94.8Very high93.2Very high53 Ų5348.9 Ų48.934%0.34427%0.272SS..THydrogen-bonded Turntrans-63.1-30.9175.1-24.836.6000114C577 N579 M583 G584 I585 M591C577-P581 WeakPolarHBondContact O-CD 3.46Å; N579-P581 VanDerWaalsContact C-CD 3.41Å; N579-P581 VanDerWaalsContact C-N 3.31Å; P581-M583 VanDerWaalsContact C-N 3.29Å; P581-M583 PolarHBondContact O-N 3.42Å; P581-G584 PolarHBondContact O-N 3.09Å; P581-G584 VanDerWaalsContact O-N 3.07Å; P581-I585 WeakPolarHBondContact CA-O 3.18Å; P581-M591 HydrophobicContact CG-CE 3.54Å; P581-M591 HydrophobicContact CG-SD 4.14Å
582Q91Very high93.2Very high124 Ų12449.6 Ų49.658%0.57928%0.276SS*.THydrogen-bonded Turntrans-69.2-30.5178.2-55.2174.2-45.200111.2F116 N579 L580 G584F116-Q582 HydrophobicContact CE1-CB 4.17Å; N579-Q582 VanDerWaalsContact O-CB 3.3Å; N579-Q582 WeakPolarHBondContact O-CB 3.3Å; N579-Q582 PolarHBondContact O-N 2.88Å; L580-Q582 VanDerWaalsContact C-N 3.28Å; L580-Q582 PolarHBondContact O-N 3.35Å; Q582-G584 PolarHBondContact O-N 3.32Å
583M91.3Very high93.3Very high18 Ų1850.7 Ų50.79%0.08929%0.285CS..THydrogen-bonded Turntrans-79.11171.6-61.9170.349.400113.7F562 N565 I567 N579 L580 P581 I585F562-M583 HydrophobicContact CD1-CE 3.85Å; F562-M583 HydrophobicContact CD2-CE 3.86Å; F562-M583 HydrophobicContact CE1-CE 3.9Å; F562-M583 HydrophobicContact CE2-CE 3.92Å; F562-M583 HydrophobicContact CG-CE 3.83Å; F562-M583 HydrophobicContact CZ-CE 3.93Å; N565-M583 HydrophobicContact CB-CG 4.15Å; I567-M583 HydrophobicContact CD1-CE 4.4Å; I567-M583 HydrophobicContact CD1-SD 4.09Å; I567-M583 HydrophobicContact CG1-CE 3.67Å; I567-M583 HydrophobicContact CG1-SD 4.01Å; N579-M583 PolarHBondContact O-N 3.06Å; L580-M583 PolarHBondContact O-N 2.9Å; P581-M583 VanDerWaalsContact C-N 3.29Å; P581-M583 PolarHBondContact O-N 3.42Å; M583-I585 HydrophobicContact CE-CD1 4.33Å
584G91Very high93.4Very high46 Ų4650.6 Ų50.647%0.47428%0.284SS..THydrogen-bonded Turntrans90.44.6-177.100000115.5L580 P581 Q582 T586L580-G584 PolarHBondContact O-N 2.87Å; P581-G584 PolarHBondContact O-N 3.09Å; P581-G584 VanDerWaalsContact O-N 3.07Å; Q582-G584 PolarHBondContact O-N 3.32Å; G584-T586 PolarHBondContact O-N 2.74Å
585I94.6Very high93.5Very high0 Ų049.1 Ų49.10%028%0.277CS..  trans-92.696.9-178.2-56.4174.9000108.9Y558 C561 F562 L580 P581 M583 M591 I594Y558-I585 HydrophobicContact CD1-CD1 4.27Å; Y558-I585 HydrophobicContact CD1-CG1 3.73Å; Y558-I585 HydrophobicContact CD1-CG2 4.4Å; Y558-I585 HydrophobicContact CD2-CD1 4.38Å; Y558-I585 HydrophobicContact CD2-CG1 4.44Å; Y558-I585 HydrophobicContact CD2-CG2 4.09Å; Y558-I585 HydrophobicContact CE1-CB 4.49Å; Y558-I585 HydrophobicContact CE1-CG1 4.17Å; Y558-I585 HydrophobicContact CE1-CG2 4.2Å; Y558-I585 HydrophobicContact CE2-CG2 3.88Å; Y558-I585 HydrophobicContact CG-CD1 3.92Å; Y558-I585 HydrophobicContact CG-CG1 3.89Å; Y558-I585 HydrophobicContact CG-CG2 4.36Å; C561-I585 HydrophobicContact CB-CD1 4.07Å; C561-I585 HydrophobicContact CB-CG1 4.09Å; F562-I585 HydrophobicContact CD2-CD1 4.19Å; F562-I585 HydrophobicContact CE2-CD1 3.51Å; F562-I585 HydrophobicContact CZ-CD1 4.3Å; L580-I585 CarbonylContact C-O 3.52Å; L580-I585 HydrophobicContact CB-CB 4.22Å; L580-I585 HydrophobicContact CB-CG2 4.49Å; L580-I585 HydrophobicContact CD2-CB 4.35Å; L580-I585 HydrophobicContact CD2-CD1 3.71Å; L580-I585 HydrophobicContact CD2-CG2 4.46Å; L580-I585 WeakPolarHBondContact O-CB 3.23Å; L580-I585 PolarHBondContact O-N 3.29Å; P581-I585 WeakPolarHBondContact CA-O 3.18Å; M583-I585 HydrophobicContact CE-CD1 4.33Å; I585-M591 HydrophobicContact CG2-CG 4.13Å; I585-M591 WeakPolarHBondContact O-CG 3.1Å; I585-I594 HydrophobicContact CG2-CD1 4.3Å
586T94.9Very high93.5Very high112 Ų11255.5 Ų55.569%0.68730%0.301SS*.  trans-108.4-7.1-168.955.20000115.2G584 F588G584-T586 PolarHBondContact O-N 2.74Å; T586-F588 PolarHBondContact O-N 3.16Å
587N95.4Very high93.7Very high69 Ų6956.2 Ų56.237%0.36930%0.303SS..  trans-77.1113.2176-179.77000110.4E589 D590 M591N587-E589 VanDerWaalsContact C-N 3.25Å; N587-E589 PolarHBondContact O-N 3.25Å; N587-E589 PolarHBondContact OD1-N 2.86Å; N587-D590 HydrophobicContact CB-CB 4.16Å; N587-D590 PolarHBondContact ND2-OD1 2.81Å; N587-D590 PolarHBondContact ND2-OD2 3.28Å; N587-D590 PolarHBondContact O-N 3.18Å; N587-M591 WeakPolarHBondContact O-CB 3.46Å; N587-M591 WeakPolarHBondContact O-CG 3.36Å; N587-M591 PolarHBondContact O-N 2.89Å
588F94.4Very high93.9Very high130 Ų13054.2 Ų54.257%0.5729%0.289SS*.Hα-helixtrans-60.8-28.4-176.2-177.9-117.1000114.3T586 K592T586-F588 PolarHBondContact O-N 3.16Å; F588-K592 HydrophobicContact CD1-CD 4.39Å; F588-K592 HydrophobicContact CE1-CD 3.83Å; F588-K592 VanDerWaalsContact CE1-CE 3.44Å; F588-K592 HydrophobicContact CE2-CD 4.33Å; F588-K592 HydrophobicContact CE2-CG 4.24Å; F588-K592 HydrophobicContact CZ-CD 3.79Å; F588-K592 HydrophobicContact CZ-CG 4.19Å; F588-K592 WeakPolarHBondContact O-CE 3.5Å; F588-K592 WeakPolarHBondContact O-CG 3.31Å; F588-K592 PolarHBondContact O-N 3.25Å
589E95.8Very high94Very high113 Ų11351.2 Ų51.253%0.52826%0.263SS..Hα-helixtrans-71.3-50.3176.2-157.159.9-122.200111N587 M591 K592 A593N587-E589 VanDerWaalsContact C-N 3.25Å; N587-E589 PolarHBondContact O-N 3.25Å; N587-E589 PolarHBondContact OD1-N 2.86Å; E589-M591 VanDerWaalsContact C-N 3.28Å; E589-M591 PolarHBondContact O-N 3.13Å; E589-K592 WeakPolarHBondContact O-CB 3.25Å; E589-K592 PolarHBondContact O-N 3.39Å; E589-K592 VanDerWaalsContact O-N 3.12Å; E589-K592 WeakPolarHBondContact OE1-CE 3.38Å; E589-K592 IonicContact OE1-NZ 3.54Å; E589-K592 PolarHBondContact OE1-NZ 2.92Å; E589-K592 IonicContact OE2-NZ 2.79Å; E589-K592 PolarHBondContact OE2-NZ 3.17Å; E589-A593 PolarHBondContact O-N 2.91Å
590D95.4Very high94.1Very high25 Ų2553.8 Ų53.813%0.13427%0.274CS..Hα-helixtrans-62.3-37.6177.2-54.3-9.5000110.9F555 Y558 N587 K592 A593 I594F555-D590 HydrophobicContact CD1-CB 3.99Å; F555-D590 HydrophobicContact CE1-CB 3.71Å; Y558-D590 HydrophobicContact CE2-CB 3.8Å; Y558-D590 WeakPolarHBondContact CE2-OD2 3.25Å; Y558-D590 PolarHBondContact OH-OD2 2.91Å; Y558-D590 VanDerWaalsContact OH-OD2 3.1Å; N587-D590 HydrophobicContact CB-CB 4.16Å; N587-D590 PolarHBondContact ND2-OD1 2.81Å; N587-D590 PolarHBondContact ND2-OD2 3.28Å; N587-D590 PolarHBondContact O-N 3.18Å; D590-K592 VanDerWaalsContact C-N 3.34Å; D590-K592 PolarHBondContact O-N 3.03Å; D590-A593 PolarHBondContact O-N 3.35Å; D590-I594 HydrophobicContact CB-CD1 4.39Å; D590-I594 VanDerWaalsContact O-CB 3.31Å; D590-I594 WeakPolarHBondContact O-CB 3.31Å; D590-I594 WeakPolarHBondContact O-CD1 3.2Å; D590-I594 VanDerWaalsContact O-CG1 3.23Å; D590-I594 WeakPolarHBondContact O-CG1 3.37Å; D590-I594 PolarHBondContact O-N 2.74Å
591M95.3Very high94Very high16 Ų1655.8 Ų55.88%0.07928%0.284CS..Hα-helixtrans-59.4-41.6174.6-71.9164.660.200112.5C577 L580 P581 I585 N587 E589 S595C577-M591 HydrophobicContact CB-CE 4.45Å; C577-M591 WeakPolarHBondContact O-CE 3.5Å; L580-M591 HydrophobicContact CB-CG 4.12Å; L580-M591 HydrophobicContact CD1-CB 4.19Å; L580-M591 HydrophobicContact CD1-CG 4.35Å; P581-M591 HydrophobicContact CG-CE 3.54Å; P581-M591 HydrophobicContact CG-SD 4.14Å; I585-M591 HydrophobicContact CG2-CG 4.13Å; I585-M591 WeakPolarHBondContact O-CG 3.1Å; N587-M591 WeakPolarHBondContact O-CB 3.46Å; N587-M591 WeakPolarHBondContact O-CG 3.36Å; N587-M591 PolarHBondContact O-N 2.89Å; E589-M591 VanDerWaalsContact C-N 3.28Å; E589-M591 PolarHBondContact O-N 3.13Å; M591-S595 WeakPolarHBondContact O-CB 3.34Å; M591-S595 PolarHBondContact O-N 3.41Å; M591-S595 PolarHBondContact O-OG 3.12Å
592K94.4Very high93.9Very high66 Ų6653.3 Ų53.329%0.28727%0.268SS..Hα-helixtrans-67.8-44.7175-75.2177-73.4151.90111.5F588 E589 D590 R596F588-K592 HydrophobicContact CD1-CD 4.39Å; F588-K592 HydrophobicContact CE1-CD 3.83Å; F588-K592 VanDerWaalsContact CE1-CE 3.44Å; F588-K592 HydrophobicContact CE2-CD 4.33Å; F588-K592 HydrophobicContact CE2-CG 4.24Å; F588-K592 HydrophobicContact CZ-CD 3.79Å; F588-K592 HydrophobicContact CZ-CG 4.19Å; F588-K592 WeakPolarHBondContact O-CE 3.5Å; F588-K592 WeakPolarHBondContact O-CG 3.31Å; F588-K592 PolarHBondContact O-N 3.25Å; E589-K592 WeakPolarHBondContact O-CB 3.25Å; E589-K592 PolarHBondContact O-N 3.39Å; E589-K592 VanDerWaalsContact O-N 3.12Å; E589-K592 WeakPolarHBondContact OE1-CE 3.38Å; E589-K592 IonicContact OE1-NZ 3.54Å; E589-K592 PolarHBondContact OE1-NZ 2.92Å; E589-K592 IonicContact OE2-NZ 2.79Å; E589-K592 PolarHBondContact OE2-NZ 3.17Å; D590-K592 VanDerWaalsContact C-N 3.34Å; D590-K592 PolarHBondContact O-N 3.03Å; K592-R596 WeakPolarHBondContact O-CB 3.34Å; K592-R596 PolarHBondContact O-N 2.98Å
593A95.6Very high93.9Very high23 Ų2352.8 Ų52.819%0.1927%0.265CS..Hα-helixtrans-64-50.5-179.300000111.8F555 E589 D590 S595 R596 H597F555-A593 HydrophobicContact CE1-CB 4.47Å; F555-A593 HydrophobicContact CE2-CB 4.07Å; F555-A593 HydrophobicContact CZ-CB 3.54Å; E589-A593 PolarHBondContact O-N 2.91Å; D590-A593 PolarHBondContact O-N 3.35Å; A593-S595 PolarHBondContact O-N 2.92Å; A593-R596 PolarHBondContact O-N 2.66Å; A593-R596 VanDerWaalsContact O-N 3.17Å; A593-H597 PolarHBondContact O-CD2 2.69Å; A593-H597 PolarHBondContact O-N 3.46Å
594I95.4Very high93.9Very high0 Ų052.8 Ų52.80%027%0.266CS..Hα-helixtrans-60.7-45.3176.7-66.2165.2000110.6I550 F555 Y558 F562 V575 L580 I585 D590 R596 H597 T598I550-I594 HydrophobicContact CD1-CG2 3.94Å; F555-I594 HydrophobicContact CB-CD1 4.43Å; F555-I594 HydrophobicContact CD1-CD1 4.33Å; F555-I594 HydrophobicContact CD1-CG1 4.48Å; F555-I594 HydrophobicContact CD2-CD1 4.42Å; F555-I594 HydrophobicContact CD2-CG1 3.87Å; F555-I594 HydrophobicContact CE2-CG1 4.11Å; F555-I594 HydrophobicContact CG-CD1 4.13Å; F555-I594 HydrophobicContact CG-CG1 4.09Å; Y558-I594 HydrophobicContact CD2-CD1 3.79Å; Y558-I594 HydrophobicContact CE2-CD1 4.29Å; F562-I594 HydrophobicContact CZ-CG2 4.06Å; V575-I594 HydrophobicContact CG1-CG2 4.18Å; L580-I594 HydrophobicContact CD1-CB 4.41Å; L580-I594 HydrophobicContact CD1-CG2 4.25Å; L580-I594 HydrophobicContact CD2-CG2 4.06Å; I585-I594 HydrophobicContact CG2-CD1 4.3Å; D590-I594 HydrophobicContact CB-CD1 4.39Å; D590-I594 VanDerWaalsContact O-CB 3.31Å; D590-I594 WeakPolarHBondContact O-CB 3.31Å; D590-I594 WeakPolarHBondContact O-CD1 3.2Å; D590-I594 VanDerWaalsContact O-CG1 3.23Å; D590-I594 WeakPolarHBondContact O-CG1 3.37Å; D590-I594 PolarHBondContact O-N 2.74Å; I594-R596 VanDerWaalsContact C-N 3.29Å; I594-R596 PolarHBondContact O-N 2.66Å; I594-H597 PolarHBondContact O-N 3.04Å; I594-T598 WeakPolarHBondContact O-CB 3.42Å; I594-T598 PolarHBondContact O-N 2.9Å; I594-T598 PolarHBondContact O-OG1 2.93Å
595S93.9Very high93.7Very high2 Ų254.6 Ų54.61%0.01426%0.262CS..Hα-helixtrans-64.5-32.7177.3-60.20000112.6C577 L580 M591 A593 R599C577-S595 PolarHBondContact N-OG 2.71Å; C577-S595 PolarHBondContact SG-OG 3.22Å; L580-S595 VanDerWaalsContact CD1-OG 3.3Å; L580-S595 WeakPolarHBondContact CD1-OG 3.31Å; M591-S595 WeakPolarHBondContact O-CB 3.34Å; M591-S595 PolarHBondContact O-N 3.41Å; M591-S595 PolarHBondContact O-OG 3.12Å; A593-S595 PolarHBondContact O-N 2.92Å; S595-R599 WeakPolarHBondContact O-CG 3.21Å; S595-R599 PolarHBondContact O-N 3.26Å; S595-R599 VanDerWaalsContact O-N 3.13Å; S595-R599 PolarHBondContact O-NH1 3.18Å
596R93.7Very high93.2Very high137 Ų13759.9 Ų59.952%0.51729%0.286SS..Hα-helixtrans-68.8-52.4174-170.4-165.7-65169.10.4111.1K592 A593 I594 T598 R599 E600K592-R596 WeakPolarHBondContact O-CB 3.34Å; K592-R596 PolarHBondContact O-N 2.98Å; A593-R596 PolarHBondContact O-N 2.66Å; A593-R596 VanDerWaalsContact O-N 3.17Å; I594-R596 VanDerWaalsContact C-N 3.29Å; I594-R596 PolarHBondContact O-N 2.66Å; R596-T598 PolarHBondContact O-N 3.48Å; R596-R599 WeakPolarHBondContact O-CA 3.3Å; R596-R599 WeakPolarHBondContact O-CB 3.45Å; R596-R599 PolarHBondContact O-N 2.91Å; R596-E600 WeakPolarHBondContact CD-OE1 3.18Å; R596-E600 HydrophobicContact CG-CG 4.45Å; R596-E600 VanDerWaalsContact CG-OE1 3.26Å; R596-E600 WeakPolarHBondContact CG-OE1 3.4Å; R596-E600 WeakPolarHBondContact O-CG 3.33Å; R596-E600 PolarHBondContact O-N 3.2Å
597H94.8Very high92.4Very high52 Ų5257.9 Ų57.924%0.24128%0.276CS..Hα-helixtrans-62.2-29.9178.6-64.7-45.6000112.7W549 L553 A593 I594 E600 L601W549-H597 HydrophobicContact CH2-CB 4.42Å; W549-H597 HydrophobicContact CZ2-CB 4.13Å; W549-H597 WeakPolarHBondContact CZ2-O 3.48Å; L553-H597 HydrophobicContact CD1-CB 3.53Å; L553-H597 HydrophobicContact CD2-CB 3.93Å; L553-H597 HydrophobicContact CG-CB 4.39Å; A593-H597 PolarHBondContact O-CD2 2.69Å; A593-H597 PolarHBondContact O-N 3.46Å; I594-H597 PolarHBondContact O-N 3.04Å; H597-E600 WeakPolarHBondContact CA-OE2 3.43Å; H597-E600 IonicContact CE1-OE2 3.43Å; H597-E600 IonicContact CG-OE2 2.65Å; H597-E600 IonicContact ND1-OE2 3.66Å; H597-E600 PolarHBondContact ND1-OE2 2.94Å; H597-L601 VanDerWaalsContact O-CB 3.31Å; H597-L601 WeakPolarHBondContact O-CB 3.48Å; H597-L601 PolarHBondContact O-N 3.15Å
598T94.4Very high91.6Very high4 Ų459.7 Ų59.73%0.02529%0.285CS..Hα-helixtrans-65.8-42.1169.5-56.70000111.6L572 V575 I594 R596 L602L572-T598 HydrophobicContact CB-CG2 4.28Å; L572-T598 WeakPolarHBondContact O-CG2 3.49Å; V575-T598 HydrophobicContact CB-CG2 4.19Å; I594-T598 WeakPolarHBondContact O-CB 3.42Å; I594-T598 PolarHBondContact O-N 2.9Å; I594-T598 PolarHBondContact O-OG1 2.93Å; R596-T598 PolarHBondContact O-N 3.48Å; T598-L602 HydrophobicContact CG2-CD1 3.9Å; T598-L602 HydrophobicContact CG2-CG 4.48Å; T598-L602 WeakPolarHBondContact O-CB 3.26Å; T598-L602 WeakPolarHBondContact O-CG 3.42Å; T598-L602 PolarHBondContact O-N 2.85Å; T598-L602 VanDerWaalsContact O-N 3.16Å
599R93.1Very high90.9Very high35 Ų3562.6 Ų62.613%0.13230%0.297CS..Hα-helixtrans-64.7-41.9174.1-72.1-170.2-67.6-84.710.4112.5S595 R596 L602 E603 I604 E606S595-R599 WeakPolarHBondContact O-CG 3.21Å; S595-R599 PolarHBondContact O-N 3.26Å; S595-R599 VanDerWaalsContact O-N 3.13Å; S595-R599 PolarHBondContact O-NH1 3.18Å; R596-R599 WeakPolarHBondContact O-CA 3.3Å; R596-R599 WeakPolarHBondContact O-CB 3.45Å; R596-R599 PolarHBondContact O-N 2.91Å; R599-L602 PolarHBondContact O-N 3.32Å; R599-E603 PolarHBondContact O-N 3.39Å; R599-E603 VanDerWaalsContact O-N 3.09Å; R599-I604 HydrophobicContact CB-CG1 3.93Å; R599-I604 HydrophobicContact CG-CD1 4.05Å; R599-I604 HydrophobicContact CG-CG1 3.86Å; R599-I604 PolarHBondContact O-N 3.35Å; R599-I604 VanDerWaalsContact O-N 3.09Å; R599-E606 IonicContact CZ-OE1 3.83Å; R599-E606 IonicContact CZ-OE2 3.03Å; R599-E606 IonicContact NE-OE2 3.73Å; R599-E606 PolarHBondContact NE-OE2 3.33Å; R599-E606 IonicContact NH1-OE1 3.63Å; R599-E606 IonicContact NH2-OE1 2.66Å; R599-E606 PolarHBondContact NH2-OE1 3.49Å; R599-E606 IonicContact NH2-OE2 3.19Å; R599-E606 PolarHBondContact NH2-OE2 2.97Å
600E92.6Very high90.4Very high105 Ų10565.3 Ų65.349%0.49131%0.308SS..Hα-helixtrans-62-47.1177.3-68.3163.7-179.700111.6R596 H597 L602 E603R596-E600 WeakPolarHBondContact CD-OE1 3.18Å; R596-E600 HydrophobicContact CG-CG 4.45Å; R596-E600 VanDerWaalsContact CG-OE1 3.26Å; R596-E600 WeakPolarHBondContact CG-OE1 3.4Å; R596-E600 WeakPolarHBondContact O-CG 3.33Å; R596-E600 PolarHBondContact O-N 3.2Å; H597-E600 WeakPolarHBondContact CA-OE2 3.43Å; H597-E600 IonicContact CE1-OE2 3.43Å; H597-E600 IonicContact CG-OE2 2.65Å; H597-E600 IonicContact ND1-OE2 3.66Å; H597-E600 PolarHBondContact ND1-OE2 2.94Å; E600-L602 VanDerWaalsContact C-N 3.31Å; E600-L602 PolarHBondContact O-N 2.98Å; E600-E603 PolarHBondContact O-N 2.89Å
601L93.3Very high89.9Confident41 Ų4167.2 Ų67.222%0.21531%0.313CS..Hα-helixtrans-65.5-30.4178.3175.863.5000113.7H538 W541 W549 L572 H597H538-L601 HydrophobicContact CB-CD1 4.2Å; H538-L601 HydrophobicContact CB-CD2 4.35Å; H538-L601 HydrophobicContact CB-CG 4.28Å; H538-L601 PolarHBondContact CE1-O 3.23Å; H538-L601 VanDerWaalsContact CE1-O 3.32Å; H538-L601 PolarHBondContact ND1-O 3.43Å; H538-L601 VanDerWaalsContact ND1-O 3.11Å; W541-L601 HydrophobicContact CE3-CD2 4.49Å; W541-L601 HydrophobicContact CH2-CD1 3.87Å; W541-L601 HydrophobicContact CH2-CD2 3.84Å; W541-L601 HydrophobicContact CZ3-CD1 4.45Å; W541-L601 HydrophobicContact CZ3-CD2 3.57Å; W549-L601 HydrophobicContact CD2-CD2 3.94Å; W549-L601 HydrophobicContact CE3-CD2 4.21Å; W549-L601 HydrophobicContact CH2-CB 4.39Å; W549-L601 HydrophobicContact CH2-CD2 3.82Å; W549-L601 HydrophobicContact CZ2-CB 3.81Å; W549-L601 HydrophobicContact CZ2-CD2 3.48Å; W549-L601 VanDerWaalsContact CZ2-CD2 3.48Å; W549-L601 HydrophobicContact CZ2-CG 4.23Å; W549-L601 HydrophobicContact CZ3-CD2 4.16Å; L572-L601 HydrophobicContact CD1-CD2 3.77Å; H597-L601 VanDerWaalsContact O-CB 3.31Å; H597-L601 WeakPolarHBondContact O-CB 3.48Å; H597-L601 PolarHBondContact O-N 3.15Å
602L91.6Very high89.5Confident1 Ų169.3 Ų69.31%0.00533%0.329CS..THydrogen-bonded Turntrans-93.8-0.8-178.7-64.9-178.6000113.4H538 L572 I573 T598 R599 E600 I604 L625H538-L602 VanDerWaalsContact CD2-CD2 3.5Å; H538-L602 WeakPolarHBondContact CD2-CD2 3.45Å; H538-L602 VanDerWaalsContact NE2-CD2 3.31Å; H538-L602 WeakPolarHBondContact NE2-CD2 3.46Å; L572-L602 HydrophobicContact CB-CD1 4.04Å; L572-L602 HydrophobicContact CB-CD2 4.14Å; L572-L602 HydrophobicContact CB-CG 4.44Å; I573-L602 HydrophobicContact CB-CD1 4.2Å; I573-L602 HydrophobicContact CD1-CD1 4.13Å; T598-L602 HydrophobicContact CG2-CD1 3.9Å; T598-L602 HydrophobicContact CG2-CG 4.48Å; T598-L602 WeakPolarHBondContact O-CB 3.26Å; T598-L602 WeakPolarHBondContact O-CG 3.42Å; T598-L602 PolarHBondContact O-N 2.85Å; T598-L602 VanDerWaalsContact O-N 3.16Å; R599-L602 PolarHBondContact O-N 3.32Å; E600-L602 VanDerWaalsContact C-N 3.31Å; E600-L602 PolarHBondContact O-N 2.98Å; L602-I604 HydrophobicContact CB-CD1 4.18Å; L602-I604 HydrophobicContact CB-CG1 4.05Å; L602-I604 HydrophobicContact CB-CG2 4.21Å; L602-I604 HydrophobicContact CD1-CD1 4.1Å; L602-I604 PolarHBondContact O-N 3.45Å; L602-L625 HydrophobicContact CB-CD1 3.85Å; L602-L625 HydrophobicContact CD1-CD1 4.49Å; L602-L625 HydrophobicContact CD2-CD1 4.23Å; L602-L625 HydrophobicContact CG-CD1 4.41Å
603E91.5Very high89.1Confident113 Ų11374.7 Ų74.753%0.52836%0.359SS..THydrogen-bonded Turntrans54.134.8-175.3-59.3-177.4-176.600113.7R599 E600R599-E603 PolarHBondContact O-N 3.39Å; R599-E603 VanDerWaalsContact O-N 3.09Å; E600-E603 PolarHBondContact O-N 2.89Å
604I91.2Very high88.7Confident19 Ų1978.3 Ų78.310%0.09738%0.383CS..PPolyproline II helixtrans-103.6134.3-177.358.8178.2000113.6I573 R599 L602 I621 L625I573-I604 HydrophobicContact CD1-CD1 3.67Å; R599-I604 HydrophobicContact CB-CG1 3.93Å; R599-I604 HydrophobicContact CG-CD1 4.05Å; R599-I604 HydrophobicContact CG-CG1 3.86Å; R599-I604 PolarHBondContact O-N 3.35Å; R599-I604 VanDerWaalsContact O-N 3.09Å; L602-I604 HydrophobicContact CB-CD1 4.18Å; L602-I604 HydrophobicContact CB-CG1 4.05Å; L602-I604 HydrophobicContact CB-CG2 4.21Å; L602-I604 HydrophobicContact CD1-CD1 4.1Å; L602-I604 PolarHBondContact O-N 3.45Å; I604-I621 HydrophobicContact CG2-CB 4.31Å; I604-I621 HydrophobicContact CG2-CG2 3.94Å; I604-L625 HydrophobicContact CG2-CD1 3.85Å
605E86.9Confident88.2Confident83 Ų8381.4 Ų81.439%0.38840%0.399SS..PPolyproline II helixtrans-57.8138.2173.6-164.1-162.3172.500111.7P607 R611 D619E605-P607 WeakPolarHBondContact O-CD 3.15Å; E605-R611 IonicContact OE1-NH1 2.66Å; E605-R611 IonicContact OE2-CZ 3.22Å; E605-R611 IonicContact OE2-NH1 2.66Å; E605-R611 PolarHBondContact OE2-NH1 3Å; E605-R611 IonicContact OE2-NH2 2.77Å; E605-D619 HydrophobicContact CB-CB 4.05Å
606E84.1Confident87.8Confident111 Ų11183.7 Ų83.752%0.51941%0.414SS..PPolyproline II helixtrans-72.8122.5167.5-179.6153-157.600110.2R599 L608R599-E606 IonicContact CZ-OE1 3.83Å; R599-E606 IonicContact CZ-OE2 3.03Å; R599-E606 IonicContact NE-OE2 3.73Å; R599-E606 PolarHBondContact NE-OE2 3.33Å; R599-E606 IonicContact NH1-OE1 3.63Å; R599-E606 IonicContact NH2-OE1 2.66Å; R599-E606 PolarHBondContact NH2-OE1 3.49Å; R599-E606 IonicContact NH2-OE2 3.19Å; R599-E606 PolarHBondContact NH2-OE2 2.97Å; E606-L608 PolarHBondContact O-N 3.28Å
607P77.6Confident87.4Confident71 Ų7184.8 Ų84.846%0.46142%0.419SS..  trans-60.4101.7-176.2-26.636.2000113E605 F609E605-P607 WeakPolarHBondContact O-CD 3.15Å; P607-F609 PolarHBondContact O-N 3.09Å
608L79Confident87.1Confident107 Ų10784 Ų8456%0.5641%0.414SS*.  trans-59.3131.7178.4-60.6179.8000110.6E606 K610 R611E606-L608 PolarHBondContact O-N 3.28Å; L608-K610 PolarHBondContact O-N 3.09Å; L608-R611 VanDerWaalsContact O-CB 3.23Å; L608-R611 WeakPolarHBondContact O-CB 3.1Å; L608-R611 PolarHBondContact O-N 3.35Å
609F79.9Confident86.8Confident191 Ų19185.6 Ų85.684%0.83842%0.422SS*.THydrogen-bonded Turntrans-61.7-8.3177.976.2-85.5000114.6P607P607-F609 PolarHBondContact O-N 3.09Å
610K85.8Confident86.7Confident170 Ų17084.3 Ų84.374%0.73942%0.418SS*.THydrogen-bonded Turntrans-103.34.4175-64.4179.9176.7171.70113.6L608 S612L608-K610 PolarHBondContact O-N 3.09Å; K610-S612 PolarHBondContact O-N 3.4Å
611R84Confident86.6Confident65 Ų6580.4 Ų80.425%0.24540%0.4CS..  trans-58.4135178.7-168.6178.4-168.890.9-10.4109.7E605 L608 L615 P616 R618E605-R611 IonicContact OE1-NH1 2.66Å; E605-R611 IonicContact OE2-CZ 3.22Å; E605-R611 IonicContact OE2-NH1 2.66Å; E605-R611 PolarHBondContact OE2-NH1 3Å; E605-R611 IonicContact OE2-NH2 2.77Å; L608-R611 VanDerWaalsContact O-CB 3.23Å; L608-R611 WeakPolarHBondContact O-CB 3.1Å; L608-R611 PolarHBondContact O-N 3.35Å; R611-L615 HydrophobicContact CG-CB 4.37Å; R611-L615 HydrophobicContact CG-CD1 4.15Å; R611-P616 PolarHBondContact NE-O 3.43Å; R611-R618 VanDerWaalsContact NH2-C 3.25Å; R611-R618 PolarHBondContact NH2-O 3.28Å
612S86.5Confident86.5Confident59 Ų5978.5 Ų78.541%0.41339%0.39SS..  trans-66137.9179.5-178.50000110.9K610 S614 L615K610-S612 PolarHBondContact O-N 3.4Å; S612-S614 PolarHBondContact O-N 3.41Å; S612-S614 PolarHBondContact OG-N 2.89Å; S612-S614 PolarHBondContact OG-OG 2.73Å; S612-L615 PolarHBondContact O-N 2.98Å
613I86.9Confident86.5Confident180 Ų18079.5 Ų79.592%0.92340%0.396SS*.THydrogen-bonded Turntrans-63.7-817163.8171000113.6
614S87Confident86.6Confident98 Ų9874.6 Ų74.669%0.68537%0.372SS*.THydrogen-bonded Turntrans-86.1-11.217268.90000113.8S612S612-S614 PolarHBondContact O-N 3.41Å; S612-S614 PolarHBondContact OG-N 2.89Å; S612-S614 PolarHBondContact OG-OG 2.73Å
615L83.7Confident86.7Confident66 Ų6673.7 Ų73.735%0.34637%0.368SS..SBendtrans-94.5155.4175.5-64.9173.4000109.9R611 S612 Y652R611-L615 HydrophobicContact CG-CB 4.37Å; R611-L615 HydrophobicContact CG-CD1 4.15Å; S612-L615 PolarHBondContact O-N 2.98Å; L615-Y652 HydrophobicContact CD2-CE1 4.18Å
616P85.7Confident87Confident50 Ų5071.2 Ų71.233%0.32536%0.356SS..  trans-57.1151.2169.1-22.733.9000112.2R611 R618 L623 L649R611-P616 PolarHBondContact NE-O 3.43Å; P616-R618 CarbonylContact C-O 3.57Å; P616-R618 PolarHBondContact O-N 2.92Å; P616-L623 HydrophobicContact CB-CD1 3.64Å; P616-L623 HydrophobicContact CG-CD1 4.21Å; P616-L649 HydrophobicContact CG-CD2 4.32Å
617Y86.1Confident87.3Confident159 Ų15970.3 Ų70.362%0.62435%0.352SS*.SBendtrans-69.4-18.8-172.960.1-88000114.2L623 E626Y617-L623 HydrophobicContact CD1-CD2 4.38Å; Y617-L623 HydrophobicContact CE1-CD2 3.8Å; Y617-L623 HydrophobicContact CE2-CD2 4.12Å; Y617-E626 VanDerWaalsContact CE2-OE2 3.3Å; Y617-E626 WeakPolarHBondContact CE2-OE2 3.41Å; Y617-E626 PolarHBondContact OH-OE2 3.39Å
618R88.3Confident88Confident37 Ų3768.5 Ų68.514%0.1434%0.337CS..SBendtrans-121.2172.5164.6-67.7-164.9-164.4-112.215.4110.7I573 R611 P616 L623 E626I573-R618 PolarHBondContact O-NH2 2.82Å; R611-R618 VanDerWaalsContact NH2-C 3.25Å; R611-R618 PolarHBondContact NH2-O 3.28Å; P616-R618 CarbonylContact C-O 3.57Å; P616-R618 PolarHBondContact O-N 2.92Å; R618-L623 HydrophobicContact CB-CD2 4.16Å; R618-L623 HydrophobicContact CB-CG 4.27Å; R618-E626 VanDerWaalsContact CD-OE2 3.26Å; R618-E626 WeakPolarHBondContact CD-OE2 3.47Å; R618-E626 IonicContact CZ-OE1 3.96Å; R618-E626 IonicContact NE-OE1 2.69Å; R618-E626 PolarHBondContact NE-OE1 3.36Å; R618-E626 IonicContact NE-OE2 2.82Å; R618-E626 PolarHBondContact NE-OE2 3.39Å; R618-E626 IonicContact NH2-OE1 3.36Å; R618-E626 PolarHBondContact NH2-OE1 3.19Å
619D88.9Confident88.5Confident37 Ų3763.8 Ų63.820%0.19831%0.314CS..  trans-66.8160.8159.2177.655.1000111.9E605 I621 G622 L623E605-D619 HydrophobicContact CB-CB 4.05Å; D619-I621 VanDerWaalsContact C-N 3.3Å; D619-I621 PolarHBondContact O-N 3.43Å; D619-I621 PolarHBondContact OD2-N 2.96Å; D619-G622 WeakPolarHBondContact O-CA 3.43Å; D619-G622 PolarHBondContact O-N 3.13Å; D619-L623 WeakPolarHBondContact O-CG 3.45Å; D619-L623 PolarHBondContact O-N 2.87Å
620I89.9Confident88.9Confident8 Ų859.8 Ų59.84%0.04130%0.298CS..Hα-helixtrans-52.5-43.5179.3-59.6179.5000112.3G622 L623 Y624 L640 F643 V644 L649 Y652I620-G622 VanDerWaalsContact C-N 3.29Å; I620-G622 PolarHBondContact O-N 2.62Å; I620-L623 PolarHBondContact O-N 2.69Å; I620-Y624 WeakPolarHBondContact O-CB 3.24Å; I620-Y624 PolarHBondContact O-N 3.29Å; I620-L640 HydrophobicContact CG2-CD1 4.39Å; I620-F643 HydrophobicContact CG2-CE1 4.36Å; I620-V644 HydrophobicContact CG2-CG2 3.63Å; I620-L649 HydrophobicContact CD1-CB 4.03Å; I620-L649 HydrophobicContact CG1-CB 4.44Å; I620-L649 HydrophobicContact CG1-CD1 4.23Å; I620-L649 HydrophobicContact CG2-CD1 4.5Å; I620-Y652 WeakPolarHBondContact CD1-O 3.35Å
621I91Very high88.9Confident23 Ų2358 Ų5812%0.11830%0.301CS..Hα-helixtrans-61.7-43.4177.5-62.2177.1000109.4F536 I604 D619 L623 Y624 L625F536-I621 HydrophobicContact CE1-CG2 3.94Å; F536-I621 HydrophobicContact CZ-CG2 4.17Å; I604-I621 HydrophobicContact CG2-CB 4.31Å; I604-I621 HydrophobicContact CG2-CG2 3.94Å; D619-I621 VanDerWaalsContact C-N 3.3Å; D619-I621 PolarHBondContact O-N 3.43Å; D619-I621 PolarHBondContact OD2-N 2.96Å; I621-L623 PolarHBondContact O-N 3.44Å; I621-Y624 PolarHBondContact O-N 3.04Å; I621-L625 HydrophobicContact CG2-CD1 3.86Å; I621-L625 HydrophobicContact CG2-CG 4.34Å; I621-L625 WeakPolarHBondContact O-CB 3.49Å; I621-L625 VanDerWaalsContact O-CG 3.24Å; I621-L625 WeakPolarHBondContact O-CG 3.17Å; I621-L625 PolarHBondContact O-N 3.22Å
622G91.8Very high89.1Confident0 Ų056.3 Ų56.30%030%0.304CS..Hα-helixtrans-61.5-43.1176.300000113.7D619 I620 L625 E626D619-G622 WeakPolarHBondContact O-CA 3.43Å; D619-G622 PolarHBondContact O-N 3.13Å; I620-G622 VanDerWaalsContact C-N 3.29Å; I620-G622 PolarHBondContact O-N 2.62Å; G622-L625 PolarHBondContact O-N 3.28Å; G622-E626 WeakPolarHBondContact O-CG 3.26Å; G622-E626 PolarHBondContact O-N 2.94Å
623L91.7Very high89.1Confident23 Ų2360.6 Ų60.612%0.1232%0.321CS..Hα-helixtrans-67.1-40.6177.9-59.8169.2000112.2P616 Y617 R618 D619 I620 I621 E626 Q627 F643 L649P616-L623 HydrophobicContact CB-CD1 3.64Å; P616-L623 HydrophobicContact CG-CD1 4.21Å; Y617-L623 HydrophobicContact CD1-CD2 4.38Å; Y617-L623 HydrophobicContact CE1-CD2 3.8Å; Y617-L623 HydrophobicContact CE2-CD2 4.12Å; R618-L623 HydrophobicContact CB-CD2 4.16Å; R618-L623 HydrophobicContact CB-CG 4.27Å; D619-L623 WeakPolarHBondContact O-CG 3.45Å; D619-L623 PolarHBondContact O-N 2.87Å; I620-L623 PolarHBondContact O-N 2.69Å; I621-L623 PolarHBondContact O-N 3.44Å; L623-E626 PolarHBondContact O-N 2.88Å; L623-Q627 PolarHBondContact O-N 2.88Å; L623-F643 HydrophobicContact CB-CE1 3.96Å; L623-F643 HydrophobicContact CB-CZ 3.62Å; L623-L649 HydrophobicContact CD1-CD1 4.22Å
624Y92.9Very high89.2Confident9 Ų961.2 Ų61.24%0.03532%0.317CS..Hα-helixtrans-61.9-44.1173.4160.1-106000111.1F536 I620 I621 Q627 K628 L638 L640 F643F536-Y624 HydrophobicContact CD1-CE1 4.31Å; F536-Y624 AromaticContact CD2-CE1 3.91Å; F536-Y624 HydrophobicContact CD2-CE1 3.91Å; F536-Y624 HydrophobicContact CE1-CD1 4.41Å; F536-Y624 HydrophobicContact CE1-CE1 4.05Å; F536-Y624 HydrophobicContact CE2-CD1 4.43Å; F536-Y624 AromaticContact CE2-CE1 3.62Å; F536-Y624 HydrophobicContact CE2-CE1 3.62Å; F536-Y624 HydrophobicContact CG-CE1 4.25Å; F536-Y624 HydrophobicContact CZ-CD1 4.12Å; F536-Y624 AromaticContact CZ-CE1 3.7Å; F536-Y624 HydrophobicContact CZ-CE1 3.7Å; I620-Y624 WeakPolarHBondContact O-CB 3.24Å; I620-Y624 PolarHBondContact O-N 3.29Å; I621-Y624 PolarHBondContact O-N 3.04Å; Y624-Q627 PolarHBondContact O-N 3.1Å; Y624-K628 HydrophobicContact CE1-CD 4.31Å; Y624-K628 HydrophobicContact CE2-CD 3.77Å; Y624-K628 VanDerWaalsContact O-CB 3.25Å; Y624-K628 WeakPolarHBondContact O-CB 3.39Å; Y624-K628 PolarHBondContact O-N 3.01Å; Y624-K628 WeakPolarHBondContact OH-CD 3.41Å; Y624-K628 PolarHBondContact OH-NZ 2.66Å; Y624-L638 HydrophobicContact CD2-CD2 4.04Å; Y624-L638 HydrophobicContact CD2-CG 4.24Å; Y624-L638 HydrophobicContact CE2-CD2 4.33Å; Y624-L638 HydrophobicContact CE2-CG 4.15Å; Y624-L640 HydrophobicContact CD1-CB 4.33Å; Y624-L640 HydrophobicContact CD1-CD1 3.85Å; Y624-L640 HydrophobicContact CD2-CB 4.21Å; Y624-L640 HydrophobicContact CD2-CD1 4.15Å; Y624-L640 HydrophobicContact CE1-CB 4.15Å; Y624-L640 HydrophobicContact CE1-CD1 4.49Å; Y624-L640 HydrophobicContact CE2-CB 4.03Å; Y624-L640 VanDerWaalsContact CE2-N 3.35Å; Y624-L640 HydrophobicContact CG-CB 4.34Å; Y624-L640 HydrophobicContact CG-CD1 3.64Å; Y624-F643 HydrophobicContact CD2-CB 4.06Å; Y624-F643 HydrophobicContact CD2-CG 4.32Å
625L93.1Very high89.3Confident1 Ų157 Ų571%0.00529%0.287CS..Hα-helixtrans-66-36.2177.1-73.7173.2000112.8F536 L539 I573 L602 I604 I621 G622 K628 G629F536-L625 HydrophobicContact CD1-CD2 3.79Å; F536-L625 HydrophobicContact CE1-CD1 4.41Å; F536-L625 HydrophobicContact CE1-CD2 4Å; F536-L625 HydrophobicContact CE1-CG 4.32Å; L539-L625 HydrophobicContact CD1-CD2 4.13Å; L539-L625 HydrophobicContact CD2-CD2 3.86Å; L539-L625 HydrophobicContact CG-CD2 4.29Å; I573-L625 HydrophobicContact CB-CB 4.29Å; I573-L625 HydrophobicContact CD1-CB 3.99Å; I573-L625 HydrophobicContact CD1-CD1 4.43Å; I573-L625 HydrophobicContact CG1-CB 3.94Å; L602-L625 HydrophobicContact CB-CD1 3.85Å; L602-L625 HydrophobicContact CD1-CD1 4.49Å; L602-L625 HydrophobicContact CD2-CD1 4.23Å; L602-L625 HydrophobicContact CG-CD1 4.41Å; I604-L625 HydrophobicContact CG2-CD1 3.85Å; I621-L625 HydrophobicContact CG2-CD1 3.86Å; I621-L625 HydrophobicContact CG2-CG 4.34Å; I621-L625 WeakPolarHBondContact O-CB 3.49Å; I621-L625 VanDerWaalsContact O-CG 3.24Å; I621-L625 WeakPolarHBondContact O-CG 3.17Å; I621-L625 PolarHBondContact O-N 3.22Å; G622-L625 PolarHBondContact O-N 3.28Å; L625-K628 CarbonylContact O-C 3.58Å; L625-K628 PolarHBondContact O-N 3.34Å; L625-G629 PolarHBondContact O-N 2.84Å
626E92.6Very high89.6Confident31 Ų3157 Ų5715%0.14529%0.288CS..Hα-helixtrans-64.1-46.7172.2-75.2178136.800110.9I573 Y617 R618 G622 L623 K628 G629 H630I573-E626 HydrophobicContact CD1-CG 4.37Å; I573-E626 HydrophobicContact CG1-CB 4.5Å; I573-E626 HydrophobicContact CG1-CG 3.47Å; I573-E626 VanDerWaalsContact CG1-CG 3.47Å; I573-E626 HydrophobicContact CG2-CG 4.38Å; Y617-E626 VanDerWaalsContact CE2-OE2 3.3Å; Y617-E626 WeakPolarHBondContact CE2-OE2 3.41Å; Y617-E626 PolarHBondContact OH-OE2 3.39Å; R618-E626 VanDerWaalsContact CD-OE2 3.26Å; R618-E626 WeakPolarHBondContact CD-OE2 3.47Å; R618-E626 IonicContact CZ-OE1 3.96Å; R618-E626 IonicContact NE-OE1 2.69Å; R618-E626 PolarHBondContact NE-OE1 3.36Å; R618-E626 IonicContact NE-OE2 2.82Å; R618-E626 PolarHBondContact NE-OE2 3.39Å; R618-E626 IonicContact NH2-OE1 3.36Å; R618-E626 PolarHBondContact NH2-OE1 3.19Å; G622-E626 WeakPolarHBondContact O-CG 3.26Å; G622-E626 PolarHBondContact O-N 2.94Å; L623-E626 PolarHBondContact O-N 2.88Å; E626-K628 PolarHBondContact O-N 3.32Å; E626-G629 PolarHBondContact O-N 2.86Å; E626-H630 PolarHBondContact O-CD2 3.38Å
627Q91.4Very high89.8Confident92 Ų9257.9 Ų57.943%0.4330%0.299SS..Hα-helixtrans-63.5-31.3176.6-172.859.986.800112.7L623 Y624 S635 L638 F643L623-Q627 PolarHBondContact O-N 2.88Å; Y624-Q627 PolarHBondContact O-N 3.1Å; Q627-S635 WeakPolarHBondContact O-CB 3.34Å; Q627-S635 PolarHBondContact O-OG 2.97Å; Q627-L638 HydrophobicContact CB-CD2 3.99Å; Q627-L638 HydrophobicContact CG-CD2 3.55Å; Q627-F643 HydrophobicContact CB-CE2 4.47Å
628K91.3Very high89.9Confident32 Ų3251.7 Ų51.714%0.13928%0.276CS..Hα-helixtrans-88.5-11178.4-162.7154.6-172.7161.20114.2L539 Y624 L625 E626 H630 L638L539-K628 HydrophobicContact CD1-CD 3.73Å; L539-K628 HydrophobicContact CD1-CG 3.97Å; Y624-K628 HydrophobicContact CE1-CD 4.31Å; Y624-K628 HydrophobicContact CE2-CD 3.77Å; Y624-K628 VanDerWaalsContact O-CB 3.25Å; Y624-K628 WeakPolarHBondContact O-CB 3.39Å; Y624-K628 PolarHBondContact O-N 3.01Å; Y624-K628 WeakPolarHBondContact OH-CD 3.41Å; Y624-K628 PolarHBondContact OH-NZ 2.66Å; L625-K628 CarbonylContact O-C 3.58Å; L625-K628 PolarHBondContact O-N 3.34Å; E626-K628 PolarHBondContact O-N 3.32Å; K628-H630 VanDerWaalsContact C-N 3.26Å; K628-H630 PolarHBondContact O-N 2.93Å; K628-L638 PolarHBondContact NZ-O 2.98Å
629G89.3Confident90.1Very high8 Ų853.1 Ų53.18%0.08229%0.289CS..Hα-helixtrans-65.1-30.8172.100000112.6R570 L625 E626R570-G629 WeakPolarHBondContact O-CA 3.42Å; L625-G629 PolarHBondContact O-N 2.84Å; E626-G629 PolarHBondContact O-N 2.86Å
630H88.5Confident90.1Very high107 Ų10752.7 Ų52.750%0.49529%0.287SS..SBendtrans-68.5145.2173.1-57-72.3000112.5E626 K628 S635E626-H630 PolarHBondContact O-CD2 3.38Å; K628-H630 VanDerWaalsContact C-N 3.26Å; K628-H630 PolarHBondContact O-N 2.93Å; H630-S635 WeakPolarHBondContact O-CB 3.46Å
631T85.6Confident90Very high132 Ų13255.2 Ų55.281%0.8131%0.306SS*.  trans-90134.7173.7-53.40000110.5
632G88.6Confident90Very high30 Ų3058.9 Ų58.931%0.30932%0.322SS..SBendtrans136.6153.8172.700000113.1K634 S635 D636G632-K634 PolarHBondContact O-N 2.77Å; G632-S635 PolarHBondContact O-N 3.29Å; G632-D636 VanDerWaalsContact CA-OD2 3.25Å; G632-D636 WeakPolarHBondContact CA-OD2 3.15Å; G632-D636 PolarHBondContact N-OD2 3.16Å; G632-D636 VanDerWaalsContact N-OD2 3.1Å; G632-D636 PolarHBondContact O-N 2.87Å
633I87.4Confident89.9Confident150 Ų15060.3 Ų60.377%0.76933%0.328SS*.Hα-helixtrans-42.4-40.2-165.8-55.9169.5000114.3D636 A637I633-D636 PolarHBondContact N-OD2 2.9Å; I633-A637 VanDerWaalsContact O-CB 3.25Å; I633-A637 WeakPolarHBondContact O-CB 3.37Å; I633-A637 PolarHBondContact O-N 3.22Å
634K88.9Confident89.8Confident193 Ų19360 Ų6084%0.83933%0.328SS*.Hα-helixtrans-65.5-43.8178.5-65-179.2-179176.10113.1G632 L638G632-K634 PolarHBondContact O-N 2.77Å; K634-L638 WeakPolarHBondContact O-CB 3.17Å; K634-L638 PolarHBondContact O-N 3.38Å
635S89.1Confident89.6Confident8 Ų866.3 Ų66.36%0.05636%0.355CS..Hα-helixtrans-79.7-34.6179.2-67.60000111.9Q627 H630 G632 L638Q627-S635 WeakPolarHBondContact O-CB 3.34Å; Q627-S635 PolarHBondContact O-OG 2.97Å; H630-S635 WeakPolarHBondContact O-CB 3.46Å; G632-S635 PolarHBondContact O-N 3.29Å; S635-L638 PolarHBondContact O-N 3.39Å
636D89.1Confident89.4Confident67 Ų6770.7 Ų70.736%0.35839%0.392SS..Hα-helixtrans-61-46.7173.6-69.7-57.3000111.8R570 G632 I633 L638R570-D636 IonicContact CZ-OD1 3.43Å; R570-D636 IonicContact NH1-OD1 2.73Å; R570-D636 PolarHBondContact NH1-OD1 3.03Å; R570-D636 IonicContact NH2-OD1 3.42Å; R570-D636 PolarHBondContact NH2-OD1 3.29Å; G632-D636 VanDerWaalsContact CA-OD2 3.25Å; G632-D636 WeakPolarHBondContact CA-OD2 3.15Å; G632-D636 PolarHBondContact N-OD2 3.16Å; G632-D636 VanDerWaalsContact N-OD2 3.1Å; G632-D636 PolarHBondContact O-N 2.87Å; I633-D636 PolarHBondContact N-OD2 2.9Å; D636-L638 VanDerWaalsContact C-N 3.35Å
637A89.7Confident89.1Confident68 Ų6871.7 Ų71.756%0.56241%0.405SS*.SBendtrans-77.3-14.6179.500000114.4I633 T639I633-A637 VanDerWaalsContact O-CB 3.25Å; I633-A637 WeakPolarHBondContact O-CB 3.37Å; I633-A637 PolarHBondContact O-N 3.22Å; A637-T639 PolarHBondContact O-N 3.14Å
638L89.5Confident88.7Confident29 Ų2969.5 Ų69.515%0.15241%0.407CS..  trans-65.1117.8-171.2-175.665.8000112.2Y624 Q627 K628 K634 S635 D636 F643Y624-L638 HydrophobicContact CD2-CD2 4.04Å; Y624-L638 HydrophobicContact CD2-CG 4.24Å; Y624-L638 HydrophobicContact CE2-CD2 4.33Å; Y624-L638 HydrophobicContact CE2-CG 4.15Å; Q627-L638 HydrophobicContact CB-CD2 3.99Å; Q627-L638 HydrophobicContact CG-CD2 3.55Å; K628-L638 PolarHBondContact NZ-O 2.98Å; K634-L638 WeakPolarHBondContact O-CB 3.17Å; K634-L638 PolarHBondContact O-N 3.38Å; S635-L638 PolarHBondContact O-N 3.39Å; D636-L638 VanDerWaalsContact C-N 3.35Å; L638-F643 HydrophobicContact CD1-CB 4.07Å; L638-F643 HydrophobicContact CD2-CB 4.39Å; L638-F643 HydrophobicContact CD2-CD2 4.22Å; L638-F643 HydrophobicContact CG-CB 4.34Å
639T91.2Very high88.3Confident67 Ų6768.9 Ų68.941%0.41141%0.405SS..  trans-94143.5170.4-45.30000110.6A637 S641 E642 F643A637-T639 PolarHBondContact O-N 3.14Å; T639-S641 PolarHBondContact O-N 2.76Å; T639-E642 WeakPolarHBondContact CB-OE2 3.4Å; T639-E642 PolarHBondContact N-OE2 3.27Å; T639-E642 WeakPolarHBondContact O-CB 3.36Å; T639-E642 PolarHBondContact O-N 3.19Å; T639-E642 PolarHBondContact OG1-OE2 3.34Å; T639-F643 PolarHBondContact O-N 3.05Å
640L88.8Confident87.8Confident28 Ų2873.1 Ų73.115%0.14742%0.423CS..Hα-helixtrans-53.3-40.2177.4177.161.9000112.4F536 I620 Y624 E642 F643 V644F536-L640 HydrophobicContact CE2-CD2 4.26Å; F536-L640 HydrophobicContact CZ-CD2 4.31Å; I620-L640 HydrophobicContact CG2-CD1 4.39Å; Y624-L640 HydrophobicContact CD1-CB 4.33Å; Y624-L640 HydrophobicContact CD1-CD1 3.85Å; Y624-L640 HydrophobicContact CD2-CB 4.21Å; Y624-L640 HydrophobicContact CD2-CD1 4.15Å; Y624-L640 HydrophobicContact CE1-CB 4.15Å; Y624-L640 HydrophobicContact CE1-CD1 4.49Å; Y624-L640 HydrophobicContact CE2-CB 4.03Å; Y624-L640 VanDerWaalsContact CE2-N 3.35Å; Y624-L640 HydrophobicContact CG-CB 4.34Å; Y624-L640 HydrophobicContact CG-CD1 3.64Å; L640-E642 VanDerWaalsContact C-N 3.28Å; L640-E642 PolarHBondContact O-N 3.07Å; L640-F643 PolarHBondContact O-N 2.86Å; L640-V644 HydrophobicContact CD1-CG2 4.21Å; L640-V644 WeakPolarHBondContact O-CG2 3.39Å; L640-V644 PolarHBondContact O-N 3.34Å
641S88.5Confident87Confident62 Ų6275.2 Ų75.243%0.43444%0.437SS..Hα-helixtrans-71-18.4178.567.50000114.3T639 K645T639-S641 PolarHBondContact O-N 2.76Å; S641-K645 WeakPolarHBondContact O-CD 3.38Å; S641-K645 WeakPolarHBondContact O-CE 3.13Å; S641-K645 WeakPolarHBondContact O-CG 3.23Å
642E90.3Very high86.1Confident100 Ų10076.1 Ų76.147%0.46743%0.427SS..Hα-helixtrans-85.7-42.2171.5-62.8171.7125.300110.3T639 L640 K645 A646T639-E642 WeakPolarHBondContact CB-OE2 3.4Å; T639-E642 PolarHBondContact N-OE2 3.27Å; T639-E642 WeakPolarHBondContact O-CB 3.36Å; T639-E642 PolarHBondContact O-N 3.19Å; T639-E642 PolarHBondContact OG1-OE2 3.34Å; L640-E642 VanDerWaalsContact C-N 3.28Å; L640-E642 PolarHBondContact O-N 3.07Å; E642-K645 PolarHBondContact O-N 3.08Å; E642-A646 WeakPolarHBondContact O-CB 3.26Å; E642-A646 PolarHBondContact O-N 3.48Å
643F90.7Very high84.8Confident30 Ų3076.5 Ų76.513%0.13243%0.427CS..Hα-helixtrans-55.7-53173.7177.2-98.5000111.6I620 L623 Y624 Q627 L638 T639 L640 K645 A646 A647 L649I620-F643 HydrophobicContact CG2-CE1 4.36Å; L623-F643 HydrophobicContact CB-CE1 3.96Å; L623-F643 HydrophobicContact CB-CZ 3.62Å; Y624-F643 HydrophobicContact CD2-CB 4.06Å; Y624-F643 HydrophobicContact CD2-CG 4.32Å; Q627-F643 HydrophobicContact CB-CE2 4.47Å; L638-F643 HydrophobicContact CD1-CB 4.07Å; L638-F643 HydrophobicContact CD2-CB 4.39Å; L638-F643 HydrophobicContact CD2-CD2 4.22Å; L638-F643 HydrophobicContact CG-CB 4.34Å; T639-F643 PolarHBondContact O-N 3.05Å; L640-F643 PolarHBondContact O-N 2.86Å; F643-K645 VanDerWaalsContact C-N 3.26Å; F643-K645 PolarHBondContact O-N 3.29Å; F643-A646 PolarHBondContact O-N 3.31Å; F643-A647 HydrophobicContact CZ-CB 4.38Å; F643-A647 VanDerWaalsContact O-CB 3.26Å; F643-A647 WeakPolarHBondContact O-CB 3.25Å; F643-A647 PolarHBondContact O-N 3Å; F643-L649 HydrophobicContact CE1-CD1 4.02Å; F643-L649 HydrophobicContact CZ-CD1 4.48Å
644V89.5Confident83.4Confident17 Ų1772.6 Ų72.610%0.10341%0.412CS..Hα-helixtrans-57.2-39.3177.7169.50000111.8I620 L640 G648 L649 Q650 A653I620-V644 HydrophobicContact CG2-CG2 3.63Å; L640-V644 HydrophobicContact CD1-CG2 4.21Å; L640-V644 WeakPolarHBondContact O-CG2 3.39Å; L640-V644 PolarHBondContact O-N 3.34Å; V644-G648 PolarHBondContact O-N 3.43Å; V644-L649 HydrophobicContact CG1-CB 4.46Å; V644-L649 PolarHBondContact O-N 3.27Å; V644-L649 VanDerWaalsContact O-N 3.1Å; V644-Q650 HydrophobicContact CG1-CG 4.4Å; V644-A653 HydrophobicContact CG1-CB 4.05Å
645K89.1Confident81.4Confident141 Ų14171.9 Ų71.961%0.61341%0.412SS*.Hα-helixtrans-69.7-41.9178.1-74.3170.5-167.2163.10112.8S641 E642 F643 Q650S641-K645 WeakPolarHBondContact O-CD 3.38Å; S641-K645 WeakPolarHBondContact O-CE 3.13Å; S641-K645 WeakPolarHBondContact O-CG 3.23Å; E642-K645 PolarHBondContact O-N 3.08Å; F643-K645 VanDerWaalsContact C-N 3.26Å; F643-K645 PolarHBondContact O-N 3.29Å; K645-Q650 PolarHBondContact O-NE2 3.39Å
646A88.4Confident79.3Confident93 Ų9377.7 Ų77.777%0.76944%0.44SS*.Hα-helixtrans-73.8-34.8-17900000112.7E642 F643 G648E642-A646 WeakPolarHBondContact O-CB 3.26Å; E642-A646 PolarHBondContact O-N 3.48Å; F643-A646 PolarHBondContact O-N 3.31Å; A646-G648 VanDerWaalsContact C-N 3.35Å
647A85.3Confident76.5Confident51 Ų5180.2 Ų80.242%0.42146%0.459SS..Hα-helixtrans-80.9-9.9-17900000114.2F643 L649F643-A647 HydrophobicContact CZ-CB 4.38Å; F643-A647 VanDerWaalsContact O-CB 3.26Å; F643-A647 WeakPolarHBondContact O-CB 3.25Å; F643-A647 PolarHBondContact O-N 3Å; A647-L649 VanDerWaalsContact C-N 3.35Å; A647-L649 HydrophobicContact CB-CB 4.45Å; A647-L649 HydrophobicContact CB-CD1 3.55Å; A647-L649 HydrophobicContact CB-CG 3.75Å
648G83.4Confident73.8Confident46 Ų4680.7 Ų80.747%0.47446%0.462SS..THydrogen-bonded Turntrans7227.8-175.600000113.4V644 A646V644-G648 PolarHBondContact O-N 3.43Å; A646-G648 VanDerWaalsContact C-N 3.35Å
649L82.7Confident71.3Confident20 Ų2085.1 Ų85.111%0.10549%0.493CS..  trans-98.916.3-172.6-66.9170.8000113.2P616 I620 L623 F643 V644 A647 D651 Y652 A653P616-L649 HydrophobicContact CG-CD2 4.32Å; I620-L649 HydrophobicContact CD1-CB 4.03Å; I620-L649 HydrophobicContact CG1-CB 4.44Å; I620-L649 HydrophobicContact CG1-CD1 4.23Å; I620-L649 HydrophobicContact CG2-CD1 4.5Å; L623-L649 HydrophobicContact CD1-CD1 4.22Å; F643-L649 HydrophobicContact CE1-CD1 4.02Å; F643-L649 HydrophobicContact CZ-CD1 4.48Å; V644-L649 HydrophobicContact CG1-CB 4.46Å; V644-L649 PolarHBondContact O-N 3.27Å; V644-L649 VanDerWaalsContact O-N 3.1Å; A647-L649 VanDerWaalsContact C-N 3.35Å; A647-L649 HydrophobicContact CB-CB 4.45Å; A647-L649 HydrophobicContact CB-CD1 3.55Å; A647-L649 HydrophobicContact CB-CG 3.75Å; L649-D651 VanDerWaalsContact C-N 3.32Å; L649-D651 PolarHBondContact O-N 3.05Å; L649-Y652 CarbonylContact O-C 3.59Å; L649-Y652 PolarHBondContact O-N 3.34Å; L649-Y652 VanDerWaalsContact O-N 3.16Å; L649-A653 PolarHBondContact O-N 2.94Å
650Q78.8Confident68.7Low96 Ų9690.2 Ų90.245%0.44951%0.512SS..G310 helixtrans-58.6-42.2-178.7-61.286.9-19.500112.2V644 K645 Y652 A653V644-Q650 HydrophobicContact CG1-CG 4.4Å; K645-Q650 PolarHBondContact O-NE2 3.39Å; Q650-Y652 PolarHBondContact O-N 3.46Å; Q650-Y652 VanDerWaalsContact O-N 3.14Å; Q650-A653 PolarHBondContact O-N 3.21Å
651D72.9Confident66.4Low151 Ų15198 Ų9881%0.80755%0.548SS*.G310 helixtrans-70.1-6.4-178.5-58.9-24.3000113.6L649L649-D651 VanDerWaalsContact C-N 3.32Å; L649-D651 PolarHBondContact O-N 3.05Å
652Y66.3Low63.9Low151 Ų151102.2 Ų102.259%0.59257%0.566SS**G310 helixtrans-123.5-3-179.6-63.5-75.2000112.9L615 I620 L649 Q650L615-Y652 HydrophobicContact CD2-CE1 4.18Å; I620-Y652 WeakPolarHBondContact CD1-O 3.35Å; L649-Y652 CarbonylContact O-C 3.59Å; L649-Y652 PolarHBondContact O-N 3.34Å; L649-Y652 VanDerWaalsContact O-N 3.16Å; Q650-Y652 PolarHBondContact O-N 3.46Å; Q650-Y652 VanDerWaalsContact O-N 3.14Å
653A60.7Low61.4Low38 Ų38105.9 Ų105.931%0.31458%0.583SS.*  trans-61.2133.6-17800000110.1V644 L649 Q650 E655V644-A653 HydrophobicContact CG1-CB 4.05Å; L649-A653 PolarHBondContact O-N 2.94Å; Q650-A653 PolarHBondContact O-N 3.21Å; A653-E655 PolarHBondContact O-N 3.12Å
654P58.2Low59.1Low68 Ų68113.7 Ų113.744%0.44262%0.619SS.*  trans-58.9130.4171.125.3-33000108.7I656P654-I656 PolarHBondContact O-N 2.66Å
655E47.9Very low56.7Low179 Ų179120 Ų12084%0.83665%0.652SS**  trans-63.5107.1172.1-68.8-169.6157.500107.7A653 T657A653-E655 PolarHBondContact O-N 3.12Å; E655-T657 PolarHBondContact O-N 3.21Å; E655-T657 PolarHBondContact O-OG1 3.24Å
656I45.1Very low54.4Low129 Ų129118.7 Ų118.766%0.66266%0.658SS**  trans-74.381.5172.8-53.2176.9000106.3P654 A658P654-I656 PolarHBondContact O-N 2.66Å; I656-A658 PolarHBondContact O-N 3.46Å
657T30.2Very low51.7Low121 Ų121120.6 Ų120.674%0.74266%0.664SS**  trans-60.3111.5179.9-270000108.5E655E655-T657 PolarHBondContact O-N 3.21Å; E655-T657 PolarHBondContact O-OG1 3.24Å
658A31.8Very low49.6Very low77 Ų77125 Ų12564%0.63669%0.686SS**PPolyproline II helixtrans-60141.7166.800000108.3I656 E660I656-A658 PolarHBondContact O-N 3.46Å; A658-E660 PolarHBondContact O-N 3.39Å
659P37.9Very low47.4Very low123 Ų123131.4 Ų131.480%0.79970%0.703SS**PPolyproline II helixtrans-59.6132.4174.726.2-33.8000109.3E661P659-E661 PolarHBondContact O-N 3.43Å
660E35.8Very low46.1Very low173 Ų173139.6 Ų139.681%0.80876%0.758SS**PPolyproline II helixtrans-60.1134.9177.4-71.8-174.4116.500110.8A658 N662A658-E660 PolarHBondContact O-N 3.39Å; E660-N662 PolarHBondContact O-N 3.35Å; E660-N662 PolarHBondContact O-ND2 3.43Å
661E39.9Very low44.4Very low193 Ų193141.8 Ų141.890%0.90277%0.773SS**  trans-63.1104.3167.5-66.2-178144.200107.9P659 E663P659-E661 PolarHBondContact O-N 3.43Å; E661-E663 PolarHBondContact O-N 3.43Å
662N36.8Very low42.9Very low150 Ų150141.3 Ų141.380%0.80277%0.771SS**  trans-68.7116.5178.6-79.5-106000108.5E660 E664E660-N662 PolarHBondContact O-N 3.35Å; E660-N662 PolarHBondContact O-ND2 3.43Å; N662-E664 PolarHBondContact O-N 3.23Å
663E37.5Very low41.6Very low177 Ų177140.7 Ų140.783%0.82778%0.781SS**  trans-56.4123-177.8-69.1-169.5128.500111.8E661 L665E661-E663 PolarHBondContact O-N 3.43Å; E663-L665 PolarHBondContact O-N 3.29Å; E663-L665 VanDerWaalsContact O-N 3.12Å
664E42.6Very low40.5Very low193 Ų193146.8 Ų146.890%0.90281%0.809SS**  trans-65.5109.8172.8-66.3-170.6146.500110.8N662N662-E664 PolarHBondContact O-N 3.23Å
665L38.6Very low39.4Very low151 Ų151151.7 Ų151.779%0.79183%0.832SS**PPolyproline II helixtrans-97.8126167-67.2-177.3000110.5E663E663-L665 PolarHBondContact O-N 3.29Å; E663-L665 VanDerWaalsContact O-N 3.12Å
666P40.7Very low38.8Very low113 Ų113149.9 Ų149.973%0.73483%0.831SS**PPolyproline II helixtrans-75.5131.1-162.627.9-35.8000113.4T668P666-T668 PolarHBondContact O-N 2.82Å
667C31.8Very low38.4Very low132 Ų132151.4 Ų151.489%0.89284%0.843SS**PPolyproline II helixtrans-58.1135.2168.9-58.80000111.1
668T42.1Very low39Very low144 Ų144153.7 Ų153.788%0.88385%0.851SS**  trans-118.3128.9169.6-55.20000108.5P666P666-T668 PolarHBondContact O-N 2.82Å
669E36.6Very low39.6Very low180 Ų180160.1 Ų160.184%0.84187%0.869SS**  trans-147.1148.3-171.3-168.3-169.2-126.100109.5
670P55Low39.8Very low192 Ų192163.5 Ų163.5100%1.24788%0.875SS**  cis-116.90-35.334.4-21.7000113.7

Retrieved 670 of 670 residues in 84.2 ms (Link to these results)