A0A077Z0D9_TRITR Loading...

Hepatocyte nuclear factor 3 beta

AlphaFold DB , UniProt , Accession A0A077Z0D9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 576 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
1M41.5Very low46.1Very low230 Ų230156.5 Ų156.5100%1.13382%0.823SS**  0111.30-63.1168.2-178.400105
2L43Very low45.8Very low159 Ų159149 Ų14983%0.83280%0.801SS**  58.9111.582.8-67.2170.3000109.4
3L52.5Low46.1Very low168 Ų168148.1 Ų148.188%0.8880%0.804SS**  cis-136.917024.8-75.6149.1000114.6
4H46.6Very low45.5Very low166 Ų166143.7 Ų143.777%0.76981%0.81SS**  trans-112.8-177169.9-138.9-127.9000107.4
5P55.7Low45.2Very low103 Ų103138.9 Ų138.967%0.66981%0.805SS**  cis-126.8-176.8-7.61413.3000115.3
6D44.6Very low45.1Very low122 Ų122139 Ų13965%0.65280%0.802SS**  trans8.5137.3149.4-61.9-95.4000123
7Y43.9Very low45.1Very low232 Ų232138.4 Ų138.491%0.9180%0.804SS**  -172.7147.791.5-115.4-89.4000113.2
8G42.9Very low45Very low67 Ų67139.1 Ų139.169%0.69180%0.804SS**  trans97.574.514500000121.8
9H47.1Very low44.8Very low195 Ų195137.8 Ų137.890%0.90380%0.804SS**  trans60.9134140.7-99.813.2000124.3
10A43.6Very low44.6Very low89 Ų89135.2 Ų135.274%0.73680%0.799SS**  trans74.283.2137.100000121.7
11H45.7Very low44.4Very low190 Ų190136.1 Ų136.188%0.8880%0.799SS**  trans-48.4156.2131.3-117.1-130000111
12A43.1Very low44.3Very low67 Ų67131 Ų13155%0.55479%0.786SS**  cis-160.5163.44.700000112.7
13T48.6Very low44.2Very low137 Ų137133.1 Ų133.184%0.8479%0.785SS**  trans33.9121.4144.7560000120.6
14G39Very low43.6Very low87 Ų87128.2 Ų128.290%0.89778%0.775SS**  trans-71.4164.7179.100000116.5
15G40.3Very low43.4Very low71 Ų71127.4 Ų127.473%0.73278%0.782SS**  trans-119.6173.8171.500000112.6
16D42.9Very low42.8Very low141 Ų141127.8 Ų127.875%0.75479%0.787SS**  trans-70.7131.8-157.7-54.8-89.9000116.8N18D16-N18 VanDerWaalsContact C-N 3.31Å; D16-N18 PolarHBondContact O-N 3.42Å
17P46.1Very low43Very low128 Ų128127.2 Ų127.283%0.83179%0.788SS**THydrogen-bonded Turntrans-84.463.4171.836-35.7000111.9
18N43.8Very low42.6Very low152 Ų152124.9 Ų124.981%0.81379%0.79SS**THydrogen-bonded Turntrans-14715.3178.6-108-51.2000116.2D16D16-N18 VanDerWaalsContact C-N 3.31Å; D16-N18 PolarHBondContact O-N 3.42Å
19S40.1Very low42.6Very low114 Ų114126.5 Ų126.580%0.79779%0.791SS**SBendtrans-115.528.5-171.246.90000114.5
20A40.4Very low42.3Very low86 Ų86125.6 Ų125.671%0.71179%0.787SS**  trans-141.550.7-174.400000115.3
21L40.3Very low41.9Very low154 Ų154125.9 Ų125.981%0.80679%0.79SS**  trans-12375.5170.4-74.3177.4000112.3Y23L21-Y23 HydrophobicContact CD2-CD2 3.83Å; L21-Y23 HydrophobicContact CD2-CE2 3.84Å
22S41.2Very low41.4Very low122 Ų122121.5 Ų121.585%0.85379%0.786SS**  trans-116.957.2168.8-162.90000110.9G24S22-G24 PolarHBondContact O-N 3.5Å
23Y40.8Very low41.3Very low204 Ų204122.7 Ų122.780%0.880%0.796SS**  trans-77.3107.4174.7-79.1-74.2000110.7L21L21-Y23 HydrophobicContact CD2-CD2 3.83Å; L21-Y23 HydrophobicContact CD2-CE2 3.84Å
24G39.9Very low40.9Very low66 Ų66121.4 Ų121.468%0.6880%0.799SS**  trans-66138.4171.500000111.7S22 S26S22-G24 PolarHBondContact O-N 3.5Å; G24-S26 PolarHBondContact O-N 3.37Å; G24-S26 VanDerWaalsContact O-N 3.1Å
25T41.6Very low40.8Very low149 Ų149122.2 Ų122.291%0.91480%0.797SS**  trans-78.291.7-179.252.40000111.5
26S42.7Very low40.8Very low111 Ų111123.6 Ų123.678%0.77680%0.802SS**  trans-96.6108.8172.5-65.40000111.3G24G24-S26 PolarHBondContact O-N 3.37Å; G24-S26 VanDerWaalsContact O-N 3.1Å
27T48.6Very low40.8Very low109 Ų109122 Ų12267%0.66981%0.808SS**  trans14.4118159.3510000119.3S29T27-S29 VanDerWaalsContact C-N 3.28Å; T27-S29 PolarHBondContact O-N 3.2Å
28L35.6Very low41Very low184 Ų184119.8 Ų119.896%0.96380%0.801SS**THydrogen-bonded Turntrans-66.776.4168.3-174.971.8000112
29S42.4Very low40.8Very low100 Ų100116.4 Ų116.470%0.69980%0.802SS**THydrogen-bonded Turntrans-153.7-18.8172.758.90000115T27 A31T27-S29 VanDerWaalsContact C-N 3.28Å; T27-S29 PolarHBondContact O-N 3.2Å; S29-A31 VanDerWaalsContact C-N 3.3Å; S29-A31 PolarHBondContact O-N 3.48Å
30Q40.8Very low41Very low176 Ų176120.8 Ų120.882%0.82280%0.803SS**  trans-92.431.2-175.7-153.5162.831.800114.1A32Q30-A32 VanDerWaalsContact C-N 3.28Å; Q30-A32 PolarHBondContact O-N 2.96Å; Q30-A32 VanDerWaalsContact O-N 3.13Å
31A35.1Very low41.4Very low96 Ų96122.2 Ų122.279%0.79381%0.805SS**  trans-86.543.7-175.900000113.9S29S29-A31 VanDerWaalsContact C-N 3.3Å; S29-A31 PolarHBondContact O-N 3.48Å
32A36.3Very low41.5Very low97 Ų97121.7 Ų121.780%0.80281%0.807SS**SBendtrans-164.577.4174.400000112.8Q30Q30-A32 VanDerWaalsContact C-N 3.28Å; Q30-A32 PolarHBondContact O-N 2.96Å; Q30-A32 VanDerWaalsContact O-N 3.13Å
33A40.7Very low41.4Very low93 Ų93122.8 Ų122.877%0.76980%0.799SS**SBendtrans-167.4-48.1166.600000114.6A35A33-A35 PolarHBondContact O-N 3.15Å
34A40.4Very low41.3Very low109 Ų109120 Ų12090%0.90180%0.798SS**  trans-102.449-154.800000115.3
35A37.2Very low41.4Very low104 Ų104124.2 Ų124.286%0.8680%0.8SS**  trans-125.164.3-179.500000112A33A33-A35 PolarHBondContact O-N 3.15Å
36A40.6Very low41.2Very low101 Ų101121.5 Ų121.584%0.83579%0.787SS**  trans-14631.8-170.300000115.2
37A43.1Very low41Very low106 Ų106122 Ų12288%0.87679%0.79SS**SBendtrans-153.832.1-179.400000116
38A48.9Very low40.7Very low83 Ų83121.4 Ų121.469%0.68680%0.797SS**  trans-150.992.6174.500000111.5Y40A38-Y40 VanDerWaalsContact C-N 3.35Å; A38-Y40 PolarHBondContact O-N 3.45Å
39G40.6Very low40.9Very low81 Ų81119.4 Ų119.484%0.83579%0.792SS**  trans-78.967.6-17200000115.1
40Y43.1Very low40.8Very low206 Ų206119 Ų11981%0.80880%0.795SS**  trans-117.8118.7174.1-69.5-75.8000111.5A38 V42A38-Y40 VanDerWaalsContact C-N 3.35Å; A38-Y40 PolarHBondContact O-N 3.45Å; Y40-V42 PolarHBondContact O-N 3.43Å
41P49.9Very low40.6Very low116 Ų116115.8 Ų115.875%0.75380%0.799SS**  trans-79.5119.8178.630.8-32.7000111.4Q43P41-Q43 PolarHBondContact O-N 3.23Å
42V41.2Very low40.8Very low142 Ų142115.2 Ų115.286%0.86179%0.794SS**  trans-79.9111.8167.5178.40000108.4Y40Y40-V42 PolarHBondContact O-N 3.43Å
43Q40.4Very low40.6Very low146 Ų146122.2 Ų122.268%0.68280%0.801SS**  trans-77133.9174.3-70.9-160.6-25.400111.3P41 H45P41-Q43 PolarHBondContact O-N 3.23Å; Q43-H45 PolarHBondContact OE1-CE1 2.88Å; Q43-H45 PolarHBondContact OE1-NE2 3.48Å
44N37.8Very low40.6Very low145 Ų145121.8 Ų121.878%0.77580%0.798SS**  trans-100.8105.8178.5-174.211.6000109.3
45H41.5Very low40.4Very low155 Ų155124.2 Ų124.272%0.71880%0.795SS**  trans-100.495.6-177.1-63.6-60.2000111.4Q43Q43-H45 PolarHBondContact OE1-CE1 2.88Å; Q43-H45 PolarHBondContact OE1-NE2 3.48Å
46S37.9Very low40.6Very low92 Ų92127.1 Ų127.164%0.64380%0.795SS**  trans-104144.2169.4-67.40000111.2
47S39.4Very low40.4Very low121 Ų121127 Ų12785%0.84679%0.788SS**  trans71.1121.5166.668.80000120.7
48A41.3Very low40.3Very low97 Ų97126.9 Ų126.980%0.80279%0.788SS**  trans63.196.8131.300000122
49T41.5Very low39.9Very low141 Ų141129.9 Ų129.987%0.86579%0.792SS**  trans-123.5112.4130.426.60000107.4
50A38.5Very low40.1Very low92 Ų92134 Ų13476%0.7679%0.792SS**  93.9121.973.100000111A52A50-A52 PolarHBondContact O-N 3.13Å
51A37Very low39.9Very low109 Ų109131.9 Ų131.990%0.90179%0.794SS**  trans-66125.6-162.900000115.1
52A40.2Very low39.2Very low84 Ų84130.1 Ų130.169%0.69479%0.79SS**  trans-163.986152.300000111.4A50A50-A52 PolarHBondContact O-N 3.13Å
53Y32.5Very low39Very low244 Ų244128.7 Ų128.796%0.95779%0.786SS**  trans-177.689.9144.4-93.4-57.7000108.9
54A40.3Very low38.9Very low84 Ų84125.9 Ų125.969%0.69479%0.788SS**  trans-97.9151172.400000110.4
55N36Very low39.3Very low159 Ų159126.7 Ų126.785%0.8579%0.791SS**  trans65.4102.2174.3-57.1-65.8000117.6
56L41.1Very low39.2Very low165 Ų165126.6 Ų126.686%0.86480%0.796SS**  -154142.9124.7-14668.6000110.9
57S37.4Very low39.2Very low98 Ų98125.5 Ų125.569%0.68580%0.8SS**  trans37.2110.6167.157.30000117.5
58A40.6Very low39.7Very low105 Ų105125 Ų12587%0.86879%0.794SS**  cis51.486.428.300000113.8
59N39.5Very low39.7Very low145 Ų145131.3 Ų131.378%0.77580%0.798SS**  trans-138.592.7156.1-167.312.9000111.8
60M44.6Very low39.8Very low168 Ų168129.8 Ų129.883%0.82879%0.793SS**  trans20.2119.5149-45.4-168.5-160.400120.2
61N38.7Very low40Very low161 Ų161130.1 Ų130.186%0.86180%0.796SS**  -134.4118.1114.9-172.22.8000108
62A36.5Very low40.4Very low80 Ų80133.1 Ų133.166%0.66179%0.793SS**  trans-133.894.3-168.400000111.8
63S36.6Very low40.4Very low112 Ų112133.6 Ų133.678%0.78379%0.791SS**  trans-138.477.7168.6-61.80000106.6
64A37.4Very low40.8Very low87 Ų87127.8 Ų127.872%0.71979%0.786SS**  57.494.460.300000112.4
65L47.1Very low41.1Very low161 Ų161133.5 Ų133.584%0.84380%0.796SS**  trans-177.7126.9141.2-98.9165.9000110.9
66N39.1Very low41.5Very low154 Ų154131.5 Ų131.582%0.82479%0.79SS**  trans48.4123.3163.6-66.7-30000122.3
67G38.4Very low41.4Very low69 Ų69126.6 Ų126.671%0.71178%0.779SS**  trans-97.8-133.7146.400000109.8
68P50.6Low41.7Very low111 Ų111129.8 Ų129.872%0.72179%0.785SS**  cis-139.6154.2-20.539.6-24000114.3
69Y40.5Very low41.9Very low229 Ų229131.1 Ų131.190%0.89878%0.778SS**  trans-154.4140.2164.8-85.1-69.1000114.4
70S42.6Very low42.1Very low108 Ų108128.8 Ų128.876%0.75577%0.773SS**  trans54.2123.3159.6-51.40000119.3
71A43Very low42.3Very low99 Ų99129.2 Ų129.282%0.81878%0.775SS**  66.8136.451.200000113
72M45Very low42.6Very low173 Ų173128.9 Ų128.985%0.85277%0.773SS**  cis-166.3153.429.9171.8171.2169.300113.7
73S41.4Very low42.7Very low93 Ų93128 Ų12865%0.6577%0.772SS**  trans60.6143.6164.6-64.10000120.6
74S40.8Very low43.2Very low122 Ų122131.3 Ų131.385%0.85378%0.775SS**  cis112.5111.80.3-60.30000117.3
75F46.2Very low43.9Very low204 Ų204132.9 Ų132.990%0.89578%0.778SS**  trans-160.3158.2159.3173.5-116.2000110.4
76T44Very low43.9Very low118 Ų118128.1 Ų128.172%0.72477%0.767SS**  trans-153.1144.5-160.2-530000115.5
77G38.7Very low44.2Very low62 Ų62128.5 Ų128.564%0.63977%0.768SS**  trans169.3133.7162.900000110.8
78M45.3Very low44.5Very low164 Ų164131.1 Ų131.181%0.80877%0.766SS**  cis67.5130.848.1-61.2178.87100112.4
79N43Very low44.1Very low133 Ų133128.1 Ų128.171%0.71176%0.755SS**  cis-163.6177.67.1-98.7-8.8000109.1
80S43.9Very low44.5Very low96 Ų96127.8 Ų127.867%0.67175%0.754SS**  cis179.1-179.6-29-171.30000109.6
81M50.3Low44.5Very low178 Ų178126 Ų12688%0.87775%0.753SS**  trans73.5156.6164-65.2-159.2177.100120.3
82N43.4Very low44.5Very low153 Ų153126.1 Ų126.182%0.81875%0.754SS**  cis-172.2152.5-22.7176.345.9000113
83G40Very low45Very low62 Ų62126.6 Ų126.664%0.63976%0.756SS**  trans85.4157.5158.400000119
84H46.8Very low45.4Very low182 Ų182127.9 Ų127.984%0.84376%0.762SS**  cis-163.3146.2-12-161.8-69.3000111.2
85P51.2Low45.5Very low120 Ų120125.6 Ų125.678%0.77976%0.758SS**  trans-120.6-176.8-179.542.6-33.7000116.3
86G46.7Very low45.5Very low61 Ų61125.4 Ų125.463%0.62976%0.762SS**  trans-161.2132.4165.300000111.7
87L47.5Very low45.3Very low161 Ų161124.4 Ų124.484%0.84377%0.766SS**  61.5129.893.2-61.2170.8000114.1
88N44.2Very low45.7Very low125 Ų125127.2 Ų127.267%0.66877%0.771SS**  cis-161.3179-2.6-124.82.8000108.2Y90N88-Y90 PolarHBondContact ND2-OH 2.93Å
89G42.6Very low45.6Very low47 Ų47124.8 Ų124.849%0.48577%0.765SS.*  cis163165.4-1.700000111.8
90Y48.7Very low45.9Very low222 Ų222126.2 Ų126.287%0.87177%0.77SS**  trans68.1139.4169.8-34.9-75.7000119N88N88-Y90 PolarHBondContact ND2-OH 2.93Å
91G42.3Very low45.9Very low71 Ų71127.5 Ų127.573%0.73278%0.779SS**  cis171.3160-11.700000115.3
92A42.8Very low45.5Very low102 Ų102124.2 Ų124.284%0.84377%0.774SS**  trans65.6154.2162.700000120.9
93M56.1Low45.8Very low183 Ų183125.7 Ų125.790%0.90178%0.78SS**  cis-167.7159.3-47.2-104.5-85170.300108.8
94P49.4Very low45.9Very low119 Ų119127.7 Ų127.777%0.77379%0.785SS**  trans-113.2179.9-168.642.3-33.1000114.9
95G42.9Very low46.2Very low75 Ų75128.1 Ų128.177%0.77379%0.789SS**  trans160.5125.3152.400000118
96M46.4Very low46.1Very low199 Ų199125.5 Ų125.598%0.9878%0.784SS**  -169.3151.9126.353179.6172.800110.1
97A40.1Very low46.7Very low97 Ų97129.1 Ų129.180%0.80280%0.796SS**  trans-152.1147.1-169.100000114.3
98T46.6Very low46.9Very low121 Ų121128.5 Ų128.574%0.74280%0.799SS**  trans-150121.8162.443.60000105.3
99T42.7Very low47Very low113 Ų113127.1 Ų127.169%0.69381%0.805SS**  55.5137.860.578.60000111.6
100M49Very low47.5Very low164 Ų164134.4 Ų134.481%0.80883%0.829SS**  cis-148.4-177.232.5-51.2-176.5-176.500113.2
101S43.7Very low47.4Very low123 Ų123127 Ų12786%0.8682%0.821SS**  trans81.3111.2153.2-57.80000119.6
102S41.6Very low47.6Very low109 Ų109129.1 Ų129.176%0.76282%0.824SS**  trans-97.7145.417653.70000113.4
103L51Low47.8Very low183 Ų183129.9 Ų129.996%0.95882%0.823SS**  trans-143134.5144.1-77.9-177.1000109.4
104S42.7Very low47.2Very low105 Ų105125.4 Ų125.473%0.73482%0.816SS**  trans-133141.9171.261.10000109.6
105M52.3Low47.5Very low191 Ų191127.4 Ų127.494%0.94182%0.819SS**  trans-141.5136.3172.8-78.1-75.1104.200108.5
106G49.1Very low47.9Very low64 Ų64129 Ų12966%0.6682%0.818SS**  trans-97.4168.9179.700000113.3
107P58.8Low48Very low138 Ų138125.2 Ų125.290%0.89681%0.809SS**  trans-79.9136.6-179.332.2-34.1000112.5
108T51.9Low48.3Very low147 Ų147129.5 Ų129.590%0.90282%0.817SS**  trans-108146.3173.149.50000111.3
109A46.3Very low48.2Very low96 Ų96127.4 Ų127.479%0.79382%0.819SS**  trans-123.6140.6173.300000110.1
110M52.3Low48.1Very low200 Ų200128 Ų12899%0.98583%0.827SS**  trans-174.2155.7166.6-111.9171.5175.500112.6
111G47.1Very low48Very low68 Ų68123.5 Ų123.570%0.70182%0.823SS**  trans91.6104.8171.500000114.5
112S46.5Very low47.9Very low115 Ų115126.4 Ų126.480%0.80482%0.823SS**  cis95.294.510.2-43.90000117.4
113S46.7Very low48.3Very low117 Ų117129.1 Ų129.182%0.81883%0.826SS**  trans-157.6124.7153.3-74.20000106.4
114A43.9Very low47.9Very low90 Ų90126.8 Ų126.874%0.74482%0.819SS**  cis68.1124.940.400000111.6
115L56.8Low47.8Very low161 Ų161128 Ų12884%0.84382%0.822SS**  cis-141.8155.44.1-56.9161.6000106.9
116S51.4Low47.5Very low108 Ų108122.7 Ų122.776%0.75582%0.816SS**  168144.772.5-69.10000110
117P47.2Very low47.1Very low120 Ų120126.6 Ų126.678%0.77983%0.826SS**  trans-141.2119156.734.9-18.2000114.2
118L47.7Very low46.4Very low186 Ų186122.8 Ų122.897%0.97481%0.813SS**  trans-178.9147.1161-104.6155.8000109.9
119G42.7Very low46.1Very low77 Ų77121.5 Ų121.579%0.79481%0.809SS**  trans16772.9179.600000115.1
120C41.5Very low46Very low125 Ų125121.3 Ų121.385%0.84580%0.802SS**  trans-79.3146.6171.6-177.40000111.1
121G46.1Very low46.1Very low71 Ų71118 Ų11873%0.73279%0.793SS**  trans-158.2100.1173.800000112.9
122Q42.5Very low46.2Very low183 Ų183120.9 Ų120.986%0.85580%0.798SS**  trans-104.7133.4168.2-76.5-174.6-97.800111.2
123M50.6Low46.5Very low167 Ų167120.8 Ų120.882%0.82379%0.794SS**  trans-146.7102.6151.946.5-87.4-94.400106.1
124T41.6Very low46.4Very low133 Ų133122.7 Ų122.782%0.81680%0.801SS**  84151.463-147.10000113.7
125V40.6Very low46.3Very low131 Ų131122.1 Ų122.179%0.79480%0.804SS**  trans-86.2154.8-151.8-69.50000115.9
126G46.7Very low45.7Very low79 Ų79119.8 Ų119.881%0.81481%0.808SS**  trans-140.9137.8160.600000109.5
127V40.8Very low45.4Very low146 Ų146118 Ų11889%0.88581%0.807SS**  trans-136138.7-165.2-172.40000111.5
128G44.2Very low45.5Very low59 Ų59119 Ų11961%0.60881%0.81SS**  trans176.1114.1169.800000109.9
129S44.1Very low45.2Very low119 Ų119114.7 Ų114.783%0.83280%0.801SS**  70.3123.487.7-63.30000112.5
130S45Very low45.6Very low93 Ų93120.2 Ų120.265%0.6581%0.807SS**  cis154162.4-3.841.10000105.5
131T53.7Low45.8Very low129 Ų129119.9 Ų119.979%0.79181%0.806SS**  trans71.3146.117480.30000115.8
132T50.9Low45.4Very low130 Ų130120.5 Ų120.580%0.79881%0.812SS**  cis-157.1159.9-31.410.90000108.2
133P52Low45.1Very low112 Ų112115.7 Ų115.773%0.72781%0.812SS**  trans-99.5140.8-173.936.6-32.4000114.8
134T44.4Very low44.8Very low157 Ų157112.6 Ų112.696%0.96381%0.813SS**  trans178.2153.7143.417.30000110.5
135G41.4Very low45Very low78 Ų78111.9 Ų111.980%0.80481%0.813SS**  trans141.6110.6172.200000113.7
136A45.6Very low45.6Very low113 Ų113112 Ų11293%0.93481%0.814SS**  trans-76.1153.3-177.500000113.4
137G43.8Very low45.9Very low70 Ų70113.9 Ų113.972%0.72282%0.815SS**  trans179.680.2174.300000117.1
138V49.7Very low46.6Very low140 Ų140115.8 Ų115.885%0.84881%0.814SS**  trans57.2128.9151.2-173.80000118.9
139A41.9Very low47.2Very low96 Ų96124.1 Ų124.179%0.79383%0.827SS**  trans-76.5144.5172.300000112.7
140Q50.6Low47.6Very low194 Ų194130.3 Ų130.391%0.90783%0.832SS**  trans-146.4137.7157.9-138161.699.100111.1
141S46.2Very low48.2Very low118 Ų118130.4 Ų130.483%0.82583%0.825SS**  trans-107.6141.5-166.253.70000113
142G38.2Very low48.4Very low83 Ų83129.9 Ų129.986%0.85682%0.817SS**  trans94.5153.7172.400000113.9
143G34.9Very low48.6Very low83 Ų83133.1 Ų133.186%0.85682%0.82SS**  cis162.483-2.700000112.1
144A44Very low48.7Very low102 Ų102131.2 Ų131.284%0.84380%0.804SS**  trans-145.457.3-169.100000114.2
145S47.4Very low49.1Very low117 Ų117126.9 Ų126.982%0.81878%0.78SS**  trans-138.926.9177.956.60000114.5
146V52.3Low49.3Very low134 Ų134130.7 Ų130.781%0.81277%0.771SS**  trans-128.375.2-177.9-170.10000111.2
147S54.1Low49.7Very low119 Ų119135 Ų13583%0.83276%0.763SS**SBendtrans-137.3-2.9179.4-50.90000116
148Q55.4Low50.2Low186 Ų186138.9 Ų138.987%0.86976%0.756SS**SBendtrans-107.2-10.8-176.7-75.5172.7-80.200115.8R150Q148-R150 PolarHBondContact O-N 3.21Å
149R55.8Low50.3Low233 Ų233136.4 Ų136.488%0.87975%0.746SS**THydrogen-bonded Turntrans-92.648.1-176-65.2-166.7178.1-141.91.3114.6
150R53.4Low51.1Low250 Ų250139 Ų13994%0.94374%0.736SS**THydrogen-bonded Turntrans-138.714.9177.9-77.7-167.1176.1-176.60115.3Q148Q148-R150 PolarHBondContact O-N 3.21Å
151N56.6Low51.8Low95 Ų95132.8 Ų132.851%0.50871%0.711SS.*  trans-118.9-5.8-173.8-154.615.6000115.3K153 N154N151-K153 VanDerWaalsContact C-N 3.28Å; N151-K153 PolarHBondContact O-N 3.24Å; N151-N154 VanDerWaalsContact O-CB 3.29Å; N151-N154 WeakPolarHBondContact O-CB 3.47Å; N151-N154 PolarHBondContact O-N 3.35Å; N151-N154 VanDerWaalsContact OD1-CB 3.3Å; N151-N154 WeakPolarHBondContact OD1-CB 3.29Å; N151-N154 PolarHBondContact OD1-ND2 2.92Å
152D57.3Low53.4Low117 Ų117133.2 Ų133.263%0.62670%0.7SS**Hα-helixtrans-64.4-31.1-170.3-48.7-81000113.3N154 S155D152-N154 PolarHBondContact O-N 2.94Å; D152-S155 PolarHBondContact O-N 3.24Å
153K56.7Low55.8Low198 Ų198131 Ų13186%0.86167%0.674SS**Hα-helixtrans-63.7-21.8173.6-63.1-173.2179.1-175.80113.3N151N151-K153 VanDerWaalsContact C-N 3.28Å; N151-K153 PolarHBondContact O-N 3.24Å
154N53.5Low58.5Low72 Ų72132.6 Ų132.639%0.38566%0.657SS.*Hα-helixtrans-88.4-23.6179.7-159.4-9.7000112.3N151 D152 R158N151-N154 VanDerWaalsContact O-CB 3.29Å; N151-N154 WeakPolarHBondContact O-CB 3.47Å; N151-N154 PolarHBondContact O-N 3.35Å; N151-N154 VanDerWaalsContact OD1-CB 3.3Å; N151-N154 WeakPolarHBondContact OD1-CB 3.29Å; N151-N154 PolarHBondContact OD1-ND2 2.92Å; D152-N154 PolarHBondContact O-N 2.94Å; N154-R158 VanDerWaalsContact CG-NH2 3.31Å; N154-R158 PolarHBondContact ND2-NH2 3.38Å; N154-R158 PolarHBondContact O-N 3.38Å; N154-R158 PolarHBondContact OD1-NH2 3.03Å; N154-R158 VanDerWaalsContact OD1-NH2 3.12Å
155S52.1Low60.7Low66 Ų66128.4 Ų128.446%0.46262%0.621SS.*Hα-helixtrans-65.7-40.5172.6-64.50000111.8D152 R157 R158 S159D152-S155 PolarHBondContact O-N 3.24Å; S155-R157 PolarHBondContact O-N 3.19Å; S155-R158 WeakPolarHBondContact O-CA 3.42Å; S155-R158 WeakPolarHBondContact O-CB 3.4Å; S155-R158 PolarHBondContact O-N 3.43Å; S155-S159 PolarHBondContact O-N 2.96Å; S155-S159 PolarHBondContact O-OG 3.07Å
156Y46.5Very low62.8Low158 Ų158128.1 Ų128.162%0.6262%0.617SS**Hα-helixtrans-60.1-42.7179.5-169.2-98.2000112.9R158 Y160Y156-R158 PolarHBondContact O-N 3.22Å; Y156-Y160 HydrophobicContact CE1-CD2 4.08Å; Y156-Y160 HydrophobicContact CE1-CE2 4.19Å; Y156-Y160 AromaticContact CZ-CE2 3.83Å; Y156-Y160 PolarHBondContact O-N 3.21Å; Y156-Y160 WeakPolarHBondContact OH-CE2 3.38Å
157R52.7Low64.7Low203 Ų203125.6 Ų125.677%0.76659%0.593SS**Hα-helixtrans-61.5-30.6172.2-88.4-75.3-175.21630.7112.9S155S155-R157 PolarHBondContact O-N 3.19Å
158R54.4Low66.6Low152 Ų152122 Ų12257%0.57457%0.568SS**Hα-helixtrans-81-43.2-177.2-137.1168.2-66.5-147.4-3112.1N154 S155 Y156 Y160 T161N154-R158 VanDerWaalsContact CG-NH2 3.31Å; N154-R158 PolarHBondContact ND2-NH2 3.38Å; N154-R158 PolarHBondContact O-N 3.38Å; N154-R158 PolarHBondContact OD1-NH2 3.03Å; N154-R158 VanDerWaalsContact OD1-NH2 3.12Å; S155-R158 WeakPolarHBondContact O-CA 3.42Å; S155-R158 WeakPolarHBondContact O-CB 3.4Å; S155-R158 PolarHBondContact O-N 3.43Å; Y156-R158 PolarHBondContact O-N 3.22Å; R158-Y160 VanDerWaalsContact C-N 3.26Å; R158-Y160 PolarHBondContact O-N 2.87Å; R158-T161 PolarHBondContact O-N 3.23Å; R158-T161 PolarHBondContact O-OG1 3.25Å
159S53.4Low68.5Low89 Ų89116 Ų11662%0.62254%0.538SS*.Hα-helixtrans-62.3-34.3176.3-55.70000112.5S155 T161 H162S155-S159 PolarHBondContact O-N 2.96Å; S155-S159 PolarHBondContact O-OG 3.07Å; S159-T161 PolarHBondContact O-N 3.36Å; S159-H162 PolarHBondContact O-N 3.46Å
160Y58Low70.4Confident149 Ų149107 Ų10758%0.58451%0.507SS*.G310 helixtrans-68.8-12.9178.9-115.5-85.4000114.9Y156 R158 H162 A163Y156-Y160 HydrophobicContact CE1-CD2 4.08Å; Y156-Y160 HydrophobicContact CE1-CE2 4.19Å; Y156-Y160 AromaticContact CZ-CE2 3.83Å; Y156-Y160 PolarHBondContact O-N 3.21Å; Y156-Y160 WeakPolarHBondContact OH-CE2 3.38Å; R158-Y160 VanDerWaalsContact C-N 3.26Å; R158-Y160 PolarHBondContact O-N 2.87Å; Y160-H162 PolarHBondContact O-N 3.16Å; Y160-A163 HydrophobicContact CD1-CB 3.8Å; Y160-A163 HydrophobicContact CE1-CB 4.07Å; Y160-A163 HydrophobicContact CG-CB 4.43Å; Y160-A163 WeakPolarHBondContact O-CB 3.44Å; Y160-A163 PolarHBondContact O-N 3.12Å
161T65.7Low72.3Confident65 Ų6595.2 Ų95.240%0.39946%0.463SS..G310 helixtrans-70-19.3178.465.50000113.2R158 S159R158-T161 PolarHBondContact O-N 3.23Å; R158-T161 PolarHBondContact O-OG1 3.25Å; S159-T161 PolarHBondContact O-N 3.36Å
162H78.9Confident74.1Confident126 Ų12690.7 Ų90.758%0.58344%0.439SS*.G310 helixtrans-990.2175-63.1-77000113S159 Y160 Y200S159-H162 PolarHBondContact O-N 3.46Å; Y160-H162 PolarHBondContact O-N 3.16Å; H162-Y200 WeakPolarHBondContact O-CD2 3.43Å
163A88Confident76Confident37 Ų3785.1 Ų85.131%0.30641%0.409SS..SBendtrans-77.8151.1173.200000111.2Y160 P165Y160-A163 HydrophobicContact CD1-CB 3.8Å; Y160-A163 HydrophobicContact CE1-CB 4.07Å; Y160-A163 HydrophobicContact CG-CB 4.43Å; Y160-A163 WeakPolarHBondContact O-CB 3.44Å; Y160-A163 PolarHBondContact O-N 3.12Å; A163-P165 WeakPolarHBondContact O-CD 3.3Å
164K91.6Very high77.8Confident116 Ų11675.7 Ų75.750%0.50437%0.368SS..PPolyproline II helixtrans-63.2119.9175.8-174.6174.9-170.5170.50110.3Y200K164-Y200 HydrophobicContact CB-CD1 4.24Å; K164-Y200 HydrophobicContact CB-CD2 4.33Å; K164-Y200 HydrophobicContact CB-CE1 3.85Å; K164-Y200 HydrophobicContact CB-CE2 3.94Å; K164-Y200 HydrophobicContact CB-CG 4.47Å; K164-Y200 HydrophobicContact CD-CE1 4.24Å; K164-Y200 HydrophobicContact CG-CD1 4.28Å; K164-Y200 HydrophobicContact CG-CE1 3.64Å
165P91.7Very high79.8Confident15 Ų1572.9 Ų72.910%0.09735%0.353CS..PPolyproline II helixtrans-64.1145.9-179.6-22.633.8000112.3A163 Y167 F198 Y201A163-P165 WeakPolarHBondContact O-CD 3.3Å; P165-Y167 HydrophobicContact CB-CD2 3.72Å; P165-Y167 HydrophobicContact CB-CE2 4.38Å; P165-Y167 PolarHBondContact O-N 3.04Å; P165-F198 HydrophobicContact CB-CD1 4Å; P165-F198 HydrophobicContact CB-CE1 4.07Å; P165-F198 HydrophobicContact CB-CG 4.31Å; P165-F198 HydrophobicContact CB-CZ 4.44Å; P165-F198 HydrophobicContact CG-CB 3.75Å; P165-F198 HydrophobicContact CG-CD1 3.41Å; P165-F198 VanDerWaalsContact CG-CD1 3.41Å; P165-F198 HydrophobicContact CG-CD2 4.16Å; P165-F198 HydrophobicContact CG-CE1 4.01Å; P165-F198 HydrophobicContact CG-CG 3.5Å; P165-Y201 HydrophobicContact CG-CE2 3.98Å
166P90.3Very high81.9Confident111 Ų11169.7 Ų69.772%0.72133%0.331SS*.SBendtrans-77.436.6179.934.3-37.5000113.2
167Y92.7Very high84.2Confident80 Ų8062.3 Ų62.331%0.31430%0.302SS..  trans-114.1141.9-176.3-63-56.8000111.4P165 L172 M175 F198P165-Y167 HydrophobicContact CB-CD2 3.72Å; P165-Y167 HydrophobicContact CB-CE2 4.38Å; P165-Y167 PolarHBondContact O-N 3.04Å; Y167-L172 HydrophobicContact CD2-CD2 4.42Å; Y167-M175 HydrophobicContact CD1-CE 4.41Å; Y167-M175 HydrophobicContact CD2-CE 3.99Å; Y167-M175 HydrophobicContact CE2-CE 4.34Å; Y167-M175 HydrophobicContact CG-CE 4.03Å; Y167-F198 HydrophobicContact CD2-CE1 4.26Å; Y167-F198 HydrophobicContact CD2-CE2 4.14Å; Y167-F198 AromaticContact CD2-CZ 3.64Å; Y167-F198 HydrophobicContact CD2-CZ 3.64Å; Y167-F198 HydrophobicContact CE2-CE1 4.02Å; Y167-F198 HydrophobicContact CE2-CE2 4.45Å; Y167-F198 AromaticContact CE2-CZ 3.55Å; Y167-F198 HydrophobicContact CE2-CZ 3.55Å
168S93.8Very high86.2Confident45 Ų4554.7 Ų54.732%0.31528%0.275SS..  trans-75.7158.1172.682.80000111I170 S171 L172S168-I170 PolarHBondContact O-N 3.35Å; S168-I170 PolarHBondContact OG-N 2.98Å; S168-S171 PolarHBondContact N-OG 3.03Å; S168-S171 WeakPolarHBondContact O-CA 3.46Å; S168-S171 VanDerWaalsContact O-CB 3.28Å; S168-S171 WeakPolarHBondContact O-CB 3.36Å; S168-S171 PolarHBondContact O-N 3.25Å; S168-S171 PolarHBondContact OG-N 3.32Å; S168-S171 VanDerWaalsContact OG-N 3.12Å; S168-S171 PolarHBondContact OG-OG 3.46Å; S168-L172 WeakPolarHBondContact O-CG 3.41Å; S168-L172 PolarHBondContact O-N 3.34Å
169Y96.1Very high88.1Confident58 Ų5853.7 Ų53.723%0.22728%0.276CS..Hα-helixtrans-56.6-33.8173.4-63.6-59.3000112.9L172 I173 Y201 W208 S211 I212 S215Y169-L172 HydrophobicContact CD1-CD1 4.22Å; Y169-L172 PolarHBondContact O-N 3.38Å; Y169-I173 VanDerWaalsContact O-CD1 3.31Å; Y169-I173 WeakPolarHBondContact O-CD1 3.21Å; Y169-I173 WeakPolarHBondContact O-CG1 3.49Å; Y169-I173 PolarHBondContact O-N 2.79Å; Y169-I173 VanDerWaalsContact O-N 3.08Å; Y169-Y201 HydrophobicContact CE1-CE1 4.5Å; Y169-W208 HydrophobicContact CE1-CB 4.29Å; Y169-S211 VanDerWaalsContact CZ-CB 3.48Å; Y169-I212 HydrophobicContact CD1-CD1 3.84Å; Y169-I212 HydrophobicContact CG-CD1 4.43Å; Y169-S215 WeakPolarHBondContact CB-OG 3.38Å
170I94Very high90.1Very high45 Ų4550.1 Ų50.123%0.23125%0.251CS..Hα-helixtrans-62.5-47173.3-56.7176.1000109.6S168 L172 I173 T174 F222 F248S168-I170 PolarHBondContact O-N 3.35Å; S168-I170 PolarHBondContact OG-N 2.98Å; I170-L172 PolarHBondContact O-N 3.35Å; I170-I173 PolarHBondContact O-N 3.36Å; I170-T174 WeakPolarHBondContact O-CB 3.44Å; I170-T174 PolarHBondContact O-N 3.13Å; I170-T174 PolarHBondContact O-OG1 3.26Å; I170-T174 VanDerWaalsContact O-OG1 3.11Å; I170-F222 HydrophobicContact CB-CE2 4.45Å; I170-F222 HydrophobicContact CB-CZ 4.42Å; I170-F222 HydrophobicContact CG1-CE2 4.48Å; I170-F222 HydrophobicContact CG2-CE2 4.03Å; I170-F222 HydrophobicContact CG2-CZ 3.78Å; I170-F248 HydrophobicContact CG2-CE1 4.15Å; I170-F248 HydrophobicContact CG2-CZ 3.8Å
171S93.7Very high91.9Very high2 Ų249 Ų491%0.01427%0.266CS..Hα-helixtrans-60.8-43.7178.7-40.70000112.2S168 T174 M175 Y253S168-S171 PolarHBondContact N-OG 3.03Å; S168-S171 WeakPolarHBondContact O-CA 3.46Å; S168-S171 VanDerWaalsContact O-CB 3.28Å; S168-S171 WeakPolarHBondContact O-CB 3.36Å; S168-S171 PolarHBondContact O-N 3.25Å; S168-S171 PolarHBondContact OG-N 3.32Å; S168-S171 VanDerWaalsContact OG-N 3.12Å; S168-S171 PolarHBondContact OG-OG 3.46Å; S171-T174 PolarHBondContact O-N 3.28Å; S171-M175 WeakPolarHBondContact O-CG 3.5Å; S171-M175 PolarHBondContact O-N 3.23Å; S171-Y253 VanDerWaalsContact CB-O 3.24Å; S171-Y253 WeakPolarHBondContact CB-O 3.34Å; S171-Y253 PolarHBondContact OG-O 3.18Å
172L95.7Very high93.3Very high1 Ų148.8 Ų48.81%0.00527%0.267CS..Hα-helixtrans-61.5-46.1177.6-67.6174000112Y167 S168 Y169 I170 M175 A176 I194 F198 Y201Y167-L172 HydrophobicContact CD2-CD2 4.42Å; S168-L172 WeakPolarHBondContact O-CG 3.41Å; S168-L172 PolarHBondContact O-N 3.34Å; Y169-L172 HydrophobicContact CD1-CD1 4.22Å; Y169-L172 PolarHBondContact O-N 3.38Å; I170-L172 PolarHBondContact O-N 3.35Å; L172-M175 HydrophobicContact CD2-CE 3.88Å; L172-M175 PolarHBondContact O-N 3.26Å; L172-A176 PolarHBondContact O-N 3.5Å; L172-I194 HydrophobicContact CB-CD1 3.9Å; L172-I194 HydrophobicContact CB-CG1 4.21Å; L172-I194 HydrophobicContact CD1-CG2 4.46Å; L172-F198 HydrophobicContact CD2-CD2 3.7Å; L172-F198 HydrophobicContact CD2-CE2 3.46Å; L172-F198 VanDerWaalsContact CD2-CE2 3.46Å; L172-F198 HydrophobicContact CD2-CZ 4.49Å; L172-Y201 HydrophobicContact CD1-CE2 3.9Å
173I96.7Very high94.1Very high0 Ų048.7 Ų48.70%027%0.265CS..Hα-helixtrans-64.8-43.6177.1-64.7160.9000110.6Y169 I170 A176 I177 I190 I212 L216 F222Y169-I173 VanDerWaalsContact O-CD1 3.31Å; Y169-I173 WeakPolarHBondContact O-CD1 3.21Å; Y169-I173 WeakPolarHBondContact O-CG1 3.49Å; Y169-I173 PolarHBondContact O-N 2.79Å; Y169-I173 VanDerWaalsContact O-N 3.08Å; I170-I173 PolarHBondContact O-N 3.36Å; I173-A176 WeakPolarHBondContact O-CB 3.36Å; I173-A176 PolarHBondContact O-N 2.78Å; I173-I177 HydrophobicContact CG2-CD1 3.76Å; I173-I177 HydrophobicContact CG2-CG1 4.41Å; I173-I177 WeakPolarHBondContact O-CG1 3.39Å; I173-I177 PolarHBondContact O-N 3.31Å; I173-I190 HydrophobicContact CG1-CG2 4.15Å; I173-I190 HydrophobicContact CG2-CD1 4.38Å; I173-I212 HydrophobicContact CD1-CD1 4.08Å; I173-I212 HydrophobicContact CD1-CG2 4.24Å; I173-I212 HydrophobicContact CG1-CD1 3.91Å; I173-I212 HydrophobicContact CG1-CG2 4.3Å; I173-L216 HydrophobicContact CD1-CD2 4.06Å; I173-L216 HydrophobicContact CD1-CG 4.02Å; I173-L216 HydrophobicContact CG2-CD2 3.72Å; I173-F222 HydrophobicContact CB-CE1 4.03Å; I173-F222 HydrophobicContact CB-CE2 4.25Å; I173-F222 HydrophobicContact CB-CZ 3.69Å; I173-F222 HydrophobicContact CD1-CE2 3.99Å; I173-F222 HydrophobicContact CD1-CZ 4.3Å; I173-F222 HydrophobicContact CG2-CD1 3.84Å; I173-F222 HydrophobicContact CG2-CD2 4.48Å; I173-F222 HydrophobicContact CG2-CE1 3.4Å; I173-F222 HydrophobicContact CG2-CE2 4.08Å; I173-F222 HydrophobicContact CG2-CG 4.37Å; I173-F222 HydrophobicContact CG2-CZ 3.53Å
174T94.8Very high94.4Very high0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-62.1-44.3178.7-640000111.8I170 S171 A176 I177 Q178 L240 F248I170-T174 WeakPolarHBondContact O-CB 3.44Å; I170-T174 PolarHBondContact O-N 3.13Å; I170-T174 PolarHBondContact O-OG1 3.26Å; I170-T174 VanDerWaalsContact O-OG1 3.11Å; S171-T174 PolarHBondContact O-N 3.28Å; T174-A176 VanDerWaalsContact C-N 3.32Å; T174-A176 PolarHBondContact O-N 2.87Å; T174-I177 PolarHBondContact O-N 2.99Å; T174-Q178 HydrophobicContact CG2-CG 4.01Å; T174-Q178 VanDerWaalsContact O-CB 3.32Å; T174-Q178 WeakPolarHBondContact O-CB 3.38Å; T174-Q178 WeakPolarHBondContact O-CG 3.15Å; T174-Q178 PolarHBondContact O-N 3.08Å; T174-L240 HydrophobicContact CG2-CD1 4.35Å; T174-L240 HydrophobicContact CG2-CD2 4.19Å; T174-F248 HydrophobicContact CG2-CB 3.93Å; T174-F248 HydrophobicContact CG2-CD1 3.87Å; T174-F248 HydrophobicContact CG2-CD2 3.74Å; T174-F248 HydrophobicContact CG2-CE1 4.23Å; T174-F248 HydrophobicContact CG2-CE2 4.11Å; T174-F248 HydrophobicContact CG2-CG 3.61Å; T174-F248 HydrophobicContact CG2-CZ 4.34Å; T174-F248 WeakPolarHBondContact OG1-CZ 3.39Å
175M94.6Very high94.7Very high12 Ų1245.4 Ų45.46%0.05925%0.246CC..Hα-helixtrans-58.4-43.8175.4-74.1-174.2-66.900111.8Y167 S171 L172 Q178 Q179 F193 F198 Y253Y167-M175 HydrophobicContact CD1-CE 4.41Å; Y167-M175 HydrophobicContact CD2-CE 3.99Å; Y167-M175 HydrophobicContact CE2-CE 4.34Å; Y167-M175 HydrophobicContact CG-CE 4.03Å; S171-M175 WeakPolarHBondContact O-CG 3.5Å; S171-M175 PolarHBondContact O-N 3.23Å; L172-M175 HydrophobicContact CD2-CE 3.88Å; L172-M175 PolarHBondContact O-N 3.26Å; M175-Q178 PolarHBondContact O-N 2.88Å; M175-Q179 WeakPolarHBondContact O-CB 3.22Å; M175-Q179 WeakPolarHBondContact O-CG 3.46Å; M175-Q179 PolarHBondContact O-N 3.13Å; M175-F193 HydrophobicContact CB-CE1 4.17Å; M175-F193 HydrophobicContact CB-CZ 4.34Å; M175-F198 HydrophobicContact CE-CE2 4.07Å; M175-F198 HydrophobicContact CE-CZ 4.33Å; M175-Y253 HydrophobicContact CG-CD1 3.65Å; M175-Y253 HydrophobicContact CG-CE1 3.33Å; M175-Y253 HydrophobicContact CG-CG 4.39Å; M175-Y253 HydrophobicContact SD-CD1 4.14Å; M175-Y253 HydrophobicContact SD-CE1 4.22Å; M175-Y253 HydrophobicContact SD-CG 4.31Å
176A96.6Very high95Very high0 Ų045.2 Ų45.20%025%0.245CC..Hα-helixtrans-59.1-50.917700000111.8L172 I173 T174 Q179 S180 L185 I190 F193L172-A176 PolarHBondContact O-N 3.5Å; I173-A176 WeakPolarHBondContact O-CB 3.36Å; I173-A176 PolarHBondContact O-N 2.78Å; T174-A176 VanDerWaalsContact C-N 3.32Å; T174-A176 PolarHBondContact O-N 2.87Å; A176-Q179 PolarHBondContact O-N 2.73Å; A176-S180 PolarHBondContact O-N 3.03Å; A176-S180 VanDerWaalsContact O-N 3.1Å; A176-L185 HydrophobicContact CB-CD1 3.75Å; A176-L185 WeakPolarHBondContact O-CD1 3.47Å; A176-I190 HydrophobicContact CB-CG1 4.48Å; A176-F193 VanDerWaalsContact CA-CE1 3.48Å; A176-F193 HydrophobicContact CB-CB 4.14Å; A176-F193 HydrophobicContact CB-CD1 3.35Å; A176-F193 HydrophobicContact CB-CD2 4.24Å; A176-F193 HydrophobicContact CB-CE1 3.75Å; A176-F193 HydrophobicContact CB-CG 3.64Å; A176-F193 HydrophobicContact CB-CZ 4.34Å
177I95.8Very high95.4Very high2 Ų242.4 Ų42.41%0.0122%0.224CC..Hα-helixtrans-66.1-40.6-179.1-65.1174.1000111.1I173 T174 S180 K183 F222 L240I173-I177 HydrophobicContact CG2-CD1 3.76Å; I173-I177 HydrophobicContact CG2-CG1 4.41Å; I173-I177 WeakPolarHBondContact O-CG1 3.39Å; I173-I177 PolarHBondContact O-N 3.31Å; T174-I177 PolarHBondContact O-N 2.99Å; I177-S180 PolarHBondContact O-N 3.43Å; I177-S180 PolarHBondContact O-OG 2.97Å; I177-K183 VanDerWaalsContact CG2-O 3.28Å; I177-K183 WeakPolarHBondContact CG2-O 3.42Å; I177-F222 HydrophobicContact CD1-CD1 4.15Å; I177-F222 HydrophobicContact CD1-CE1 4.36Å; I177-L240 HydrophobicContact CG2-CB 4.2Å
178Q93.4Very high95.6Very high43 Ų4342 Ų4220%0.20123%0.232CC..Hα-helixtrans-68.2-35.6179.1-76.8178.3-38.600113.2T174 M175 K183 L240 Y253T174-Q178 HydrophobicContact CG2-CG 4.01Å; T174-Q178 VanDerWaalsContact O-CB 3.32Å; T174-Q178 WeakPolarHBondContact O-CB 3.38Å; T174-Q178 WeakPolarHBondContact O-CG 3.15Å; T174-Q178 PolarHBondContact O-N 3.08Å; M175-Q178 PolarHBondContact O-N 2.88Å; Q178-K183 PolarHBondContact O-NZ 3.4Å; Q178-L240 HydrophobicContact CG-CD2 4.49Å; Q178-Y253 PolarHBondContact OE1-OH 2.79Å
179Q94.3Very high95.8Very high131 Ų13143.9 Ų43.961%0.61224%0.236SC*.Hα-helixtrans-79.9-18177.3-68.3-175.711.200113.1M175 A176 F193M175-Q179 WeakPolarHBondContact O-CB 3.22Å; M175-Q179 WeakPolarHBondContact O-CG 3.46Å; M175-Q179 PolarHBondContact O-N 3.13Å; A176-Q179 PolarHBondContact O-N 2.73Å; Q179-F193 HydrophobicContact CB-CE2 3.98Å; Q179-F193 HydrophobicContact CB-CZ 4.33Å; Q179-F193 HydrophobicContact CG-CZ 4.44Å; Q179-F193 VanDerWaalsContact OE1-CE2 3.25Å; Q179-F193 VanDerWaalsContact OE1-CZ 3.28Å
180S95.5Very high95.9Very high14 Ų1441.1 Ų41.110%0.09823%0.225CC..SBendtrans-65.5134.4169.176.60000111.7A176 I177 S182 K183 M184A176-S180 PolarHBondContact O-N 3.03Å; A176-S180 VanDerWaalsContact O-N 3.1Å; I177-S180 PolarHBondContact O-N 3.43Å; I177-S180 PolarHBondContact O-OG 2.97Å; S180-S182 VanDerWaalsContact C-N 3.29Å; S180-S182 PolarHBondContact O-N 3.33Å; S180-K183 PolarHBondContact O-N 3.23Å; S180-K183 VanDerWaalsContact OG-CA 3.3Å; S180-K183 WeakPolarHBondContact OG-CA 3.45Å; S180-K183 PolarHBondContact OG-N 2.88Å; S180-M184 PolarHBondContact OG-N 3.1Å
181S96.2Very high96.1Very high126 Ų12640.2 Ų40.288%0.88122%0.219SC*.THydrogen-bonded Turntrans-64.2-34.517851.90000112.6K183S181-K183 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 3.45Å
182S95.1Very high96.3Very high61 Ų6145.2 Ų45.243%0.42724%0.242SC..THydrogen-bonded Turntrans-76-9.2176.554.40000114.6S180 M184S180-S182 VanDerWaalsContact C-N 3.29Å; S180-S182 PolarHBondContact O-N 3.33Å; S182-M184 PolarHBondContact O-N 2.87Å; S182-M184 VanDerWaalsContact O-N 3.08Å; S182-M184 PolarHBondContact OG-N 3.49Å; S182-M184 PolarHBondContact OG-O 2.96Å
183K95.1Very high96.4Very high124 Ų12447.1 Ų47.154%0.53925%0.25SS..SBendtrans51.325.4-168.9-53.1-63.8172.9179.50113.8I177 Q178 S180 S181I177-K183 VanDerWaalsContact CG2-O 3.28Å; I177-K183 WeakPolarHBondContact CG2-O 3.42Å; Q178-K183 PolarHBondContact O-NZ 3.4Å; S180-K183 PolarHBondContact O-N 3.23Å; S180-K183 VanDerWaalsContact OG-CA 3.3Å; S180-K183 WeakPolarHBondContact OG-CA 3.45Å; S180-K183 PolarHBondContact OG-N 2.88Å; S181-K183 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 3.45Å
184M95.8Very high96.5Very high62 Ų6247.1 Ų47.131%0.30525%0.25SS..EExtended strand (participates in β ladder)trans-150.6136.3177.576.4-17573.400111S180 S182 F237 W238 T239S180-M184 PolarHBondContact OG-N 3.1Å; S182-M184 PolarHBondContact O-N 2.87Å; S182-M184 VanDerWaalsContact O-N 3.08Å; S182-M184 PolarHBondContact OG-N 3.49Å; S182-M184 PolarHBondContact OG-O 2.96Å; M184-F237 HydrophobicContact CB-CB 4.36Å; M184-F237 HydrophobicContact CG-CB 4.29Å; M184-F237 HydrophobicContact CG-CD1 4.01Å; M184-F237 HydrophobicContact CG-CG 4.18Å; M184-F237 HydrophobicContact SD-CB 4.17Å; M184-F237 HydrophobicContact SD-CD1 4.31Å; M184-F237 HydrophobicContact SD-CD2 4.22Å; M184-F237 HydrophobicContact SD-CG 3.99Å; M184-W238 WeakPolarHBondContact CA-O 3.35Å; M184-T239 HydrophobicContact CB-CG2 3.49Å; M184-T239 VanDerWaalsContact CB-CG2 3.49Å
185L97.7Very high96.5Very high21 Ų2147.9 Ų47.911%0.1125%0.254CS..EExtended strand (participates in β ladder)trans-133.8150.1178.5-69.8-178.2000111.5A176 E189 I190 W238A176-L185 HydrophobicContact CB-CD1 3.75Å; A176-L185 WeakPolarHBondContact O-CD1 3.47Å; L185-E189 HydrophobicContact CB-CB 4.26Å; L185-E189 HydrophobicContact CD2-CB 3.94Å; L185-E189 HydrophobicContact CG-CB 4.47Å; L185-I190 HydrophobicContact CB-CD1 4.32Å; L185-I190 HydrophobicContact CB-CG1 3.84Å; L185-I190 HydrophobicContact CD1-CG1 4.14Å; L185-W238 PolarHBondContact N-O 2.87Å; L185-W238 VanDerWaalsContact N-O 3.09Å; L185-W238 PolarHBondContact O-N 3.21Å
186T97.7Very high96.6Very high12 Ų1252.4 Ų52.47%0.07428%0.279CS..EExtended strand (participates in β ladder)trans-76.4163.6167.1690000111.1S188 E189 I190 F237T186-S188 PolarHBondContact O-N 2.92Å; T186-E189 WeakPolarHBondContact CA-OE2 3.31Å; T186-E189 WeakPolarHBondContact CB-OE2 3.36Å; T186-E189 VanDerWaalsContact CG2-OE2 3.23Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.47Å; T186-E189 PolarHBondContact N-OE2 2.81Å; T186-E189 PolarHBondContact O-N 2.83Å; T186-E189 PolarHBondContact OG1-N 3.29Å; T186-E189 PolarHBondContact OG1-OE2 2.94Å; T186-I190 WeakPolarHBondContact O-CG1 3.45Å; T186-I190 PolarHBondContact O-N 2.91Å; T186-I190 VanDerWaalsContact O-N 3.12Å; T186-F237 HydrophobicContact CG2-CD1 3.68Å; T186-F237 HydrophobicContact CG2-CE1 3.68Å
187L98Very high96.6Very high52 Ų5256.1 Ų56.127%0.27230%0.298SS..Hα-helixtrans-53.9-37174.9-178.864.6000112.8Y191 I212 R213 L216L187-Y191 HydrophobicContact CD1-CD1 4.37Å; L187-Y191 HydrophobicContact CD1-CE1 3.56Å; L187-Y191 HydrophobicContact CG-CE1 4Å; L187-Y191 HydrophobicContact CG-CE2 4.1Å; L187-Y191 WeakPolarHBondContact O-CD1 3.37Å; L187-Y191 PolarHBondContact O-N 3.05Å; L187-I212 HydrophobicContact CD1-CG2 4.1Å; L187-R213 HydrophobicContact CD1-CG 4.12Å; L187-R213 HydrophobicContact CD2-CG 3.98Å; L187-L216 HydrophobicContact CD1-CD1 3.57Å
188S97.6Very high96.5Very high70 Ų7057.8 Ų57.849%0.4931%0.305SS..Hα-helixtrans-71.1-40-179.5-59.80000112.5T186 Y191 Q192T186-S188 PolarHBondContact O-N 2.92Å; S188-Y191 WeakPolarHBondContact O-CB 3.3Å; S188-Y191 PolarHBondContact O-N 3.33Å; S188-Q192 PolarHBondContact O-N 3.28Å; S188-Q192 VanDerWaalsContact O-N 3.15Å
189E98Very high96.5Very high86 Ų8657.1 Ų57.140%0.40231%0.305SS..Hα-helixtrans-68.8-36.8178.2-68.6151.2141.900111.2L185 T186 Y191 Q192 F193L185-E189 HydrophobicContact CB-CB 4.26Å; L185-E189 HydrophobicContact CD2-CB 3.94Å; L185-E189 HydrophobicContact CG-CB 4.47Å; T186-E189 WeakPolarHBondContact CA-OE2 3.31Å; T186-E189 WeakPolarHBondContact CB-OE2 3.36Å; T186-E189 VanDerWaalsContact CG2-OE2 3.23Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.47Å; T186-E189 PolarHBondContact N-OE2 2.81Å; T186-E189 PolarHBondContact O-N 2.83Å; T186-E189 PolarHBondContact OG1-N 3.29Å; T186-E189 PolarHBondContact OG1-OE2 2.94Å; E189-Y191 VanDerWaalsContact C-N 3.27Å; E189-Y191 PolarHBondContact O-N 3.15Å; E189-Q192 PolarHBondContact O-N 3Å; E189-F193 WeakPolarHBondContact O-CB 3.49Å; E189-F193 PolarHBondContact O-N 3.19Å
190I98.3Very high96.6Very high0 Ų054.5 Ų54.50%029%0.29CS..Hα-helixtrans-59.8-38.1171.7-65.5164.3000111.1I173 A176 L185 T186 I194 I212 L216 W238I173-I190 HydrophobicContact CG1-CG2 4.15Å; I173-I190 HydrophobicContact CG2-CD1 4.38Å; A176-I190 HydrophobicContact CB-CG1 4.48Å; L185-I190 HydrophobicContact CB-CD1 4.32Å; L185-I190 HydrophobicContact CB-CG1 3.84Å; L185-I190 HydrophobicContact CD1-CG1 4.14Å; T186-I190 WeakPolarHBondContact O-CG1 3.45Å; T186-I190 PolarHBondContact O-N 2.91Å; T186-I190 VanDerWaalsContact O-N 3.12Å; I190-I194 HydrophobicContact CG2-CD1 3.91Å; I190-I194 WeakPolarHBondContact O-CD1 3.44Å; I190-I194 VanDerWaalsContact O-CG1 3.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.27Å; I190-I194 PolarHBondContact O-N 3.14Å; I190-I212 HydrophobicContact CG2-CG2 3.91Å; I190-L216 HydrophobicContact CD1-CD1 4.3Å; I190-L216 HydrophobicContact CD1-CD2 4.29Å; I190-W238 HydrophobicContact CD1-CB 4.38Å
191Y98.2Very high96.6Very high25 Ų2554.1 Ų54.110%0.09829%0.286CS..Hα-helixtrans-65.8-46.3176.1-65.4-13.7000112.3L187 S188 E189 M195 W208 Q209 I212 R213L187-Y191 HydrophobicContact CD1-CD1 4.37Å; L187-Y191 HydrophobicContact CD1-CE1 3.56Å; L187-Y191 HydrophobicContact CG-CE1 4Å; L187-Y191 HydrophobicContact CG-CE2 4.1Å; L187-Y191 WeakPolarHBondContact O-CD1 3.37Å; L187-Y191 PolarHBondContact O-N 3.05Å; S188-Y191 WeakPolarHBondContact O-CB 3.3Å; S188-Y191 PolarHBondContact O-N 3.33Å; E189-Y191 VanDerWaalsContact C-N 3.27Å; E189-Y191 PolarHBondContact O-N 3.15Å; Y191-M195 WeakPolarHBondContact O-CG 3.28Å; Y191-M195 PolarHBondContact O-N 3.2Å; Y191-W208 HydrophobicContact CD1-CH2 4.24Å; Y191-W208 AromaticContact CD1-CZ3 3.88Å; Y191-W208 HydrophobicContact CD1-CZ3 3.88Å; Y191-W208 HydrophobicContact CE1-CZ3 4.45Å; Y191-W208 HydrophobicContact CG-CH2 4.34Å; Y191-W208 HydrophobicContact CG-CZ3 4.44Å; Y191-Q209 HydrophobicContact CD1-CG 3.96Å; Y191-Q209 HydrophobicContact CD2-CG 4.03Å; Y191-Q209 HydrophobicContact CE1-CB 3.91Å; Y191-Q209 HydrophobicContact CE1-CG 3.77Å; Y191-Q209 HydrophobicContact CE2-CB 4.14Å; Y191-Q209 HydrophobicContact CE2-CG 3.85Å; Y191-Q209 HydrophobicContact CG-CG 4.08Å; Y191-Q209 PolarHBondContact OH-O 3.23Å; Y191-I212 HydrophobicContact CD1-CG2 4.19Å; Y191-I212 HydrophobicContact CE1-CB 3.94Å; Y191-I212 HydrophobicContact CE1-CG2 3.76Å; Y191-R213 VanDerWaalsContact OH-CG 3.31Å; Y191-R213 WeakPolarHBondContact OH-CG 3.43Å; Y191-R213 PolarHBondContact OH-NH1 2.92Å; Y191-R213 VanDerWaalsContact OH-NH1 3.08Å
192Q97.9Very high96.6Very high107 Ų10754.1 Ų54.150%0.527%0.267SS..Hα-helixtrans-63.7-50.6179.2-57.5-61.918.700110.9S188 E189 I194 M195 D196S188-Q192 PolarHBondContact O-N 3.28Å; S188-Q192 VanDerWaalsContact O-N 3.15Å; E189-Q192 PolarHBondContact O-N 3Å; Q192-I194 VanDerWaalsContact C-N 3.26Å; Q192-I194 PolarHBondContact O-N 2.91Å; Q192-I194 VanDerWaalsContact O-N 3.14Å; Q192-M195 CarbonylContact O-C 3.56Å; Q192-M195 WeakPolarHBondContact O-CA 3.26Å; Q192-M195 PolarHBondContact O-N 3.02Å; Q192-D196 WeakPolarHBondContact O-CB 3.42Å; Q192-D196 VanDerWaalsContact O-CG 3.29Å; Q192-D196 PolarHBondContact O-N 3.14Å
193F98.1Very high96.5Very high41 Ų4158 Ų5818%0.1828%0.279CS..Hα-helixtrans-49.6-45.3178.4179.2-85000113M175 A176 Q179 E189 L197M175-F193 HydrophobicContact CB-CE1 4.17Å; M175-F193 HydrophobicContact CB-CZ 4.34Å; A176-F193 VanDerWaalsContact CA-CE1 3.48Å; A176-F193 HydrophobicContact CB-CB 4.14Å; A176-F193 HydrophobicContact CB-CD1 3.35Å; A176-F193 HydrophobicContact CB-CD2 4.24Å; A176-F193 HydrophobicContact CB-CE1 3.75Å; A176-F193 HydrophobicContact CB-CG 3.64Å; A176-F193 HydrophobicContact CB-CZ 4.34Å; Q179-F193 HydrophobicContact CB-CE2 3.98Å; Q179-F193 HydrophobicContact CB-CZ 4.33Å; Q179-F193 HydrophobicContact CG-CZ 4.44Å; Q179-F193 VanDerWaalsContact OE1-CE2 3.25Å; Q179-F193 VanDerWaalsContact OE1-CZ 3.28Å; E189-F193 WeakPolarHBondContact O-CB 3.49Å; E189-F193 PolarHBondContact O-N 3.19Å; F193-L197 HydrophobicContact CE1-CD2 3.8Å; F193-L197 HydrophobicContact CZ-CD2 3.91Å; F193-L197 VanDerWaalsContact O-CB 3.3Å; F193-L197 WeakPolarHBondContact O-CB 3.48Å; F193-L197 PolarHBondContact O-N 3.48Å
194I97.6Very high96.4Very high0 Ų058.2 Ų58.20%029%0.285CS..Hα-helixtrans-68.4-39.4179.6-68171.3000111.5L172 I190 Q192 F198 Y201 W208 I212L172-I194 HydrophobicContact CB-CD1 3.9Å; L172-I194 HydrophobicContact CB-CG1 4.21Å; L172-I194 HydrophobicContact CD1-CG2 4.46Å; I190-I194 HydrophobicContact CG2-CD1 3.91Å; I190-I194 WeakPolarHBondContact O-CD1 3.44Å; I190-I194 VanDerWaalsContact O-CG1 3.27Å; I190-I194 WeakPolarHBondContact O-CG1 3.27Å; I190-I194 PolarHBondContact O-N 3.14Å; Q192-I194 VanDerWaalsContact C-N 3.26Å; Q192-I194 PolarHBondContact O-N 2.91Å; Q192-I194 VanDerWaalsContact O-N 3.14Å; I194-F198 WeakPolarHBondContact O-CB 3.37Å; I194-F198 PolarHBondContact O-N 3.26Å; I194-Y201 HydrophobicContact CG2-CD2 3.42Å; I194-Y201 VanDerWaalsContact CG2-CD2 3.42Å; I194-Y201 HydrophobicContact CG2-CE2 4.04Å; I194-Y201 HydrophobicContact CG2-CG 3.73Å; I194-W208 HydrophobicContact CG2-CZ3 4.41Å; I194-I212 HydrophobicContact CD1-CD1 3.59Å; I194-I212 HydrophobicContact CD1-CG1 4.18Å
195M96.2Very high96.4Very high16 Ų1659.1 Ų59.18%0.07929%0.289CS..Hα-helixtrans-73.3-30.8177.8-70.5-170.3-59.500113.2Y191 Q192 R202 Q205 W208Y191-M195 WeakPolarHBondContact O-CG 3.28Å; Y191-M195 PolarHBondContact O-N 3.2Å; Q192-M195 CarbonylContact O-C 3.56Å; Q192-M195 WeakPolarHBondContact O-CA 3.26Å; Q192-M195 PolarHBondContact O-N 3.02Å; M195-R202 HydrophobicContact CB-CG 4.02Å; M195-R202 HydrophobicContact CG-CG 4.34Å; M195-R202 VanDerWaalsContact O-CZ 3.26Å; M195-R202 PolarHBondContact O-NE 2.73Å; M195-R202 PolarHBondContact O-NH2 3.08Å; M195-Q205 HydrophobicContact SD-CG 4.25Å; M195-Q205 PolarHBondContact SD-NE2 3.13Å; M195-W208 HydrophobicContact CG-CH2 3.93Å; M195-W208 HydrophobicContact CG-CZ2 3.67Å; M195-W208 HydrophobicContact SD-CH2 4.29Å; M195-W208 HydrophobicContact SD-CZ2 3.81Å
196D96.4Very high96.4Very high107 Ų10764.5 Ų64.557%0.57231%0.314SS*.Hα-helixtrans-72.9-49.4177.7-68.2-32.3000110.7Q192 R202Q192-D196 WeakPolarHBondContact O-CB 3.42Å; Q192-D196 VanDerWaalsContact O-CG 3.29Å; Q192-D196 PolarHBondContact O-N 3.14Å; D196-R202 PolarHBondContact O-NH2 3.12Å
197L95Very high96.3Very high79 Ų7971 Ų7141%0.41434%0.337SS..Hα-helixtrans-72.2-34.2-179.6-174.360.1000113.4F193F193-L197 HydrophobicContact CE1-CD2 3.8Å; F193-L197 HydrophobicContact CZ-CD2 3.91Å; F193-L197 VanDerWaalsContact O-CB 3.3Å; F193-L197 WeakPolarHBondContact O-CB 3.48Å; F193-L197 PolarHBondContact O-N 3.48Å
198F94.7Very high96.3Very high37 Ų3769.1 Ų69.116%0.16233%0.326CS..  trans-132.290.7-175.1-59.9-62.2000111.9P165 Y167 L172 M175 I194 Y200 Y201P165-F198 HydrophobicContact CB-CD1 4Å; P165-F198 HydrophobicContact CB-CE1 4.07Å; P165-F198 HydrophobicContact CB-CG 4.31Å; P165-F198 HydrophobicContact CB-CZ 4.44Å; P165-F198 HydrophobicContact CG-CB 3.75Å; P165-F198 HydrophobicContact CG-CD1 3.41Å; P165-F198 VanDerWaalsContact CG-CD1 3.41Å; P165-F198 HydrophobicContact CG-CD2 4.16Å; P165-F198 HydrophobicContact CG-CE1 4.01Å; P165-F198 HydrophobicContact CG-CG 3.5Å; Y167-F198 HydrophobicContact CD2-CE1 4.26Å; Y167-F198 HydrophobicContact CD2-CE2 4.14Å; Y167-F198 AromaticContact CD2-CZ 3.64Å; Y167-F198 HydrophobicContact CD2-CZ 3.64Å; Y167-F198 HydrophobicContact CE2-CE1 4.02Å; Y167-F198 HydrophobicContact CE2-CE2 4.45Å; Y167-F198 AromaticContact CE2-CZ 3.55Å; Y167-F198 HydrophobicContact CE2-CZ 3.55Å; L172-F198 HydrophobicContact CD2-CD2 3.7Å; L172-F198 HydrophobicContact CD2-CE2 3.46Å; L172-F198 VanDerWaalsContact CD2-CE2 3.46Å; L172-F198 HydrophobicContact CD2-CZ 4.49Å; M175-F198 HydrophobicContact CE-CE2 4.07Å; M175-F198 HydrophobicContact CE-CZ 4.33Å; I194-F198 WeakPolarHBondContact O-CB 3.37Å; I194-F198 PolarHBondContact O-N 3.26Å; F198-Y200 PolarHBondContact O-N 2.64Å; F198-Y201 HydrophobicContact CB-CD2 3.83Å; F198-Y201 HydrophobicContact CB-CE2 4.21Å; F198-Y201 PolarHBondContact O-N 3.25Å
199P94.2Very high96.3Very high29 Ų2967 Ų6719%0.18831%0.308CS..G310 helixtrans-53.3-25.4-175.8-3036000116.3Y201 R202P199-Y201 PolarHBondContact O-N 3.4Å; P199-R202 WeakPolarHBondContact O-CB 3.47Å; P199-R202 WeakPolarHBondContact O-CG 3.4Å; P199-R202 PolarHBondContact O-N 3.06Å; P199-R202 VanDerWaalsContact O-N 3.07Å
200Y95.5Very high96.3Very high76 Ų7667.2 Ų67.230%0.29831%0.312SS..G310 helixtrans-45.9-42.2170.2171.7-103.3000113.2H162 K164 F198 R202H162-Y200 WeakPolarHBondContact O-CD2 3.43Å; K164-Y200 HydrophobicContact CB-CD1 4.24Å; K164-Y200 HydrophobicContact CB-CD2 4.33Å; K164-Y200 HydrophobicContact CB-CE1 3.85Å; K164-Y200 HydrophobicContact CB-CE2 3.94Å; K164-Y200 HydrophobicContact CB-CG 4.47Å; K164-Y200 HydrophobicContact CD-CE1 4.24Å; K164-Y200 HydrophobicContact CG-CD1 4.28Å; K164-Y200 HydrophobicContact CG-CE1 3.64Å; F198-Y200 PolarHBondContact O-N 2.64Å; Y200-R202 VanDerWaalsContact C-N 3.26Å; Y200-R202 PolarHBondContact O-N 3.02Å
201Y96.7Very high96.3Very high6 Ų667.6 Ų67.62%0.02432%0.315CS..G310 helixtrans-78.30.2-176.4-66.5-69.7000114.5P165 Y169 L172 I194 F198 P199 Q203 W208P165-Y201 HydrophobicContact CG-CE2 3.98Å; Y169-Y201 HydrophobicContact CE1-CE1 4.5Å; L172-Y201 HydrophobicContact CD1-CE2 3.9Å; I194-Y201 HydrophobicContact CG2-CD2 3.42Å; I194-Y201 VanDerWaalsContact CG2-CD2 3.42Å; I194-Y201 HydrophobicContact CG2-CE2 4.04Å; I194-Y201 HydrophobicContact CG2-CG 3.73Å; F198-Y201 HydrophobicContact CB-CD2 3.83Å; F198-Y201 HydrophobicContact CB-CE2 4.21Å; F198-Y201 PolarHBondContact O-N 3.25Å; P199-Y201 PolarHBondContact O-N 3.4Å; Y201-Q203 PolarHBondContact O-N 3.39Å; Y201-W208 HydrophobicContact CD1-CB 4.11Å; Y201-W208 AromaticContact CD1-CD1 3.79Å; Y201-W208 AromaticContact CD1-CD2 3.95Å; Y201-W208 HydrophobicContact CD1-CD2 3.95Å; Y201-W208 AromaticContact CD1-CG 3.7Å; Y201-W208 HydrophobicContact CD1-CG 3.7Å; Y201-W208 HydrophobicContact CE1-CB 4.31Å; Y201-W208 HydrophobicContact CE1-CG 4.38Å; Y201-W208 HydrophobicContact CG-CD2 4.48Å; Y201-W208 VanDerWaalsContact O-CZ2 3.22Å; Y201-W208 WeakPolarHBondContact O-CZ2 3.05Å; Y201-W208 PolarHBondContact O-NE1 3.38Å
202R95.9Very high96.3Very high126 Ų12666.4 Ų66.448%0.47531%0.31SS..G310 helixtrans-68.8-26.6176.1-65.9175-171.1175.25112.4M195 D196 P199 Y200 Q205M195-R202 HydrophobicContact CB-CG 4.02Å; M195-R202 HydrophobicContact CG-CG 4.34Å; M195-R202 VanDerWaalsContact O-CZ 3.26Å; M195-R202 PolarHBondContact O-NE 2.73Å; M195-R202 PolarHBondContact O-NH2 3.08Å; D196-R202 PolarHBondContact O-NH2 3.12Å; P199-R202 WeakPolarHBondContact O-CB 3.47Å; P199-R202 WeakPolarHBondContact O-CG 3.4Å; P199-R202 PolarHBondContact O-N 3.06Å; P199-R202 VanDerWaalsContact O-N 3.07Å; Y200-R202 VanDerWaalsContact C-N 3.26Å; Y200-R202 PolarHBondContact O-N 3.02Å; R202-Q205 WeakPolarHBondContact O-CG 3.31Å; R202-Q205 PolarHBondContact O-NE2 2.98Å
203Q93.1Very high96.3Very high143 Ų14365.2 Ų65.267%0.66830%0.301SS*.SBendtrans-89.1164.3176.2-60.5-179.23.800111.9Y201 Q205 W208Y201-Q203 PolarHBondContact O-N 3.39Å; Q203-Q205 PolarHBondContact O-N 3.37Å; Q203-W208 PolarHBondContact O-NE1 2.95Å
204N92.2Very high96.3Very high128 Ų12867.2 Ų67.268%0.68431%0.311SS*.SBendtrans50.834.1171-69-46.3000115.2Q206 R207N204-Q206 PolarHBondContact O-N 3.1Å; N204-Q206 VanDerWaalsContact O-N 3.16Å; N204-R207 WeakPolarHBondContact O-CB 3.2Å; N204-R207 PolarHBondContact O-N 3.21Å
205Q95.6Very high96.2Very high81 Ų8167.5 Ų67.538%0.37931%0.313SS..Hα-helixtrans-52-46.2-164.3-69.4-170.625.200114.7M195 R202 Q203 R207 W208 Q209M195-Q205 HydrophobicContact SD-CG 4.25Å; M195-Q205 PolarHBondContact SD-NE2 3.13Å; R202-Q205 WeakPolarHBondContact O-CG 3.31Å; R202-Q205 PolarHBondContact O-NE2 2.98Å; Q203-Q205 PolarHBondContact O-N 3.37Å; Q205-R207 PolarHBondContact O-N 3.41Å; Q205-R207 VanDerWaalsContact O-N 3.13Å; Q205-W208 HydrophobicContact CG-CZ2 4.24Å; Q205-W208 PolarHBondContact O-N 3.49Å; Q205-Q209 WeakPolarHBondContact O-CB 3.5Å; Q205-Q209 WeakPolarHBondContact O-CG 3.49Å; Q205-Q209 PolarHBondContact O-N 3.12Å; Q205-Q209 VanDerWaalsContact OE1-NE2 3.1Å
206Q96.9Very high96.2Very high134 Ų13466.8 Ų66.863%0.62631%0.309SS*.Hα-helixtrans-55.8-34.2-178.2-179.967.3-5000113.1N204 N210 R213N204-Q206 PolarHBondContact O-N 3.1Å; N204-Q206 VanDerWaalsContact O-N 3.16Å; Q206-N210 WeakPolarHBondContact O-CB 3.24Å; Q206-N210 PolarHBondContact O-N 3.43Å; Q206-R213 VanDerWaalsContact OE1-NH2 3.09Å
207R96.3Very high96.2Very high148 Ų14865.8 Ų65.856%0.55831%0.311SS*.Hα-helixtrans-68.1-56.4-177.9-175.3179.7-77.9-110.17.5111.3N204 Q205 N210 S211 M356N204-R207 WeakPolarHBondContact O-CB 3.2Å; N204-R207 PolarHBondContact O-N 3.21Å; Q205-R207 PolarHBondContact O-N 3.41Å; Q205-R207 VanDerWaalsContact O-N 3.13Å; R207-N210 PolarHBondContact O-N 3.21Å; R207-S211 PolarHBondContact O-N 3.12Å; R207-M356 HydrophobicContact CG-CE 3.88Å; R207-M356 HydrophobicContact CG-SD 4.09Å
208W97.4Very high96Very high12 Ų1268.1 Ų68.15%0.04532%0.318CS..Hα-helixtrans-78-30.6-178.368.5-103000113Y169 Y191 I194 M195 Y201 Q203 Q205 N210 S211 I212Y169-W208 HydrophobicContact CE1-CB 4.29Å; Y191-W208 HydrophobicContact CD1-CH2 4.24Å; Y191-W208 AromaticContact CD1-CZ3 3.88Å; Y191-W208 HydrophobicContact CD1-CZ3 3.88Å; Y191-W208 HydrophobicContact CE1-CZ3 4.45Å; Y191-W208 HydrophobicContact CG-CH2 4.34Å; Y191-W208 HydrophobicContact CG-CZ3 4.44Å; I194-W208 HydrophobicContact CG2-CZ3 4.41Å; M195-W208 HydrophobicContact CG-CH2 3.93Å; M195-W208 HydrophobicContact CG-CZ2 3.67Å; M195-W208 HydrophobicContact SD-CH2 4.29Å; M195-W208 HydrophobicContact SD-CZ2 3.81Å; Y201-W208 HydrophobicContact CD1-CB 4.11Å; Y201-W208 AromaticContact CD1-CD1 3.79Å; Y201-W208 AromaticContact CD1-CD2 3.95Å; Y201-W208 HydrophobicContact CD1-CD2 3.95Å; Y201-W208 AromaticContact CD1-CG 3.7Å; Y201-W208 HydrophobicContact CD1-CG 3.7Å; Y201-W208 HydrophobicContact CE1-CB 4.31Å; Y201-W208 HydrophobicContact CE1-CG 4.38Å; Y201-W208 HydrophobicContact CG-CD2 4.48Å; Y201-W208 VanDerWaalsContact O-CZ2 3.22Å; Y201-W208 WeakPolarHBondContact O-CZ2 3.05Å; Y201-W208 PolarHBondContact O-NE1 3.38Å; Q203-W208 PolarHBondContact O-NE1 2.95Å; Q205-W208 HydrophobicContact CG-CZ2 4.24Å; Q205-W208 PolarHBondContact O-N 3.49Å; W208-N210 PolarHBondContact O-N 3.21Å; W208-S211 CarbonylContact O-C 3.52Å; W208-S211 WeakPolarHBondContact O-CA 3.19Å; W208-S211 WeakPolarHBondContact O-CB 3.41Å; W208-S211 PolarHBondContact O-N 3.41Å; W208-I212 HydrophobicContact CE3-CG1 3.79Å; W208-I212 HydrophobicContact CZ3-CG1 4Å; W208-I212 PolarHBondContact O-N 3.41Å
209Q98.2Very high95.9Very high26 Ų2667.1 Ų67.112%0.12131%0.314CS..Hα-helixtrans-63.2-31.7174-75.2-178.5600111.5Y191 Q205 I212 R213Y191-Q209 HydrophobicContact CD1-CG 3.96Å; Y191-Q209 HydrophobicContact CD2-CG 4.03Å; Y191-Q209 HydrophobicContact CE1-CB 3.91Å; Y191-Q209 HydrophobicContact CE1-CG 3.77Å; Y191-Q209 HydrophobicContact CE2-CB 4.14Å; Y191-Q209 HydrophobicContact CE2-CG 3.85Å; Y191-Q209 HydrophobicContact CG-CG 4.08Å; Y191-Q209 PolarHBondContact OH-O 3.23Å; Q205-Q209 WeakPolarHBondContact O-CB 3.5Å; Q205-Q209 WeakPolarHBondContact O-CG 3.49Å; Q205-Q209 PolarHBondContact O-N 3.12Å; Q205-Q209 VanDerWaalsContact OE1-NE2 3.1Å; Q209-I212 PolarHBondContact O-N 3.18Å; Q209-R213 WeakPolarHBondContact O-CG 3.18Å; Q209-R213 PolarHBondContact O-N 3.47Å
210N98Very high95.7Very high90 Ų9066.2 Ų66.248%0.48131%0.307SS..Hα-helixtrans-64.9-40169.7-155.246.5000111.9Q206 R207 W208 R213 H214Q206-N210 WeakPolarHBondContact O-CB 3.24Å; Q206-N210 PolarHBondContact O-N 3.43Å; R207-N210 PolarHBondContact O-N 3.21Å; W208-N210 PolarHBondContact O-N 3.21Å; N210-R213 PolarHBondContact O-N 3.21Å; N210-R213 PolarHBondContact OD1-NE 2.94Å; N210-R213 PolarHBondContact OD1-NH2 3.5Å; N210-H214 PolarHBondContact O-N 3.38Å
211S97.6Very high95.5Very high8 Ų862.9 Ų62.96%0.05630%0.295CS..Hα-helixtrans-67.9-31.7173.9-69.30000114.2Y169 R207 W208 H214 S215Y169-S211 VanDerWaalsContact CZ-CB 3.48Å; R207-S211 PolarHBondContact O-N 3.12Å; W208-S211 CarbonylContact O-C 3.52Å; W208-S211 WeakPolarHBondContact O-CA 3.19Å; W208-S211 WeakPolarHBondContact O-CB 3.41Å; W208-S211 PolarHBondContact O-N 3.41Å; S211-H214 WeakPolarHBondContact CA-NE2 3.37Å; S211-H214 WeakPolarHBondContact CB-NE2 2.98Å; S211-H214 PolarHBondContact O-CE1 3.47Å; S211-H214 VanDerWaalsContact O-CE1 3.25Å; S211-H214 PolarHBondContact O-ND1 2.93Å; S211-H214 PolarHBondContact OG-NE2 3.48Å; S211-H214 VanDerWaalsContact OG-NE2 3.1Å; S211-S215 VanDerWaalsContact O-CB 3.26Å; S211-S215 WeakPolarHBondContact O-CB 3.4Å; S211-S215 PolarHBondContact O-N 2.96Å; S211-S215 PolarHBondContact O-OG 3.49Å
212I98.1Very high95.5Very high0 Ų062.7 Ų62.70%030%0.295CS..Hα-helixtrans-66.2-44.6169.8-64.1-64.4000110.4Y169 I173 L187 I190 Y191 I194 W208 Q209 H214 S215 L216Y169-I212 HydrophobicContact CD1-CD1 3.84Å; Y169-I212 HydrophobicContact CG-CD1 4.43Å; I173-I212 HydrophobicContact CD1-CD1 4.08Å; I173-I212 HydrophobicContact CD1-CG2 4.24Å; I173-I212 HydrophobicContact CG1-CD1 3.91Å; I173-I212 HydrophobicContact CG1-CG2 4.3Å; L187-I212 HydrophobicContact CD1-CG2 4.1Å; I190-I212 HydrophobicContact CG2-CG2 3.91Å; Y191-I212 HydrophobicContact CD1-CG2 4.19Å; Y191-I212 HydrophobicContact CE1-CB 3.94Å; Y191-I212 HydrophobicContact CE1-CG2 3.76Å; I194-I212 HydrophobicContact CD1-CD1 3.59Å; I194-I212 HydrophobicContact CD1-CG1 4.18Å; W208-I212 HydrophobicContact CE3-CG1 3.79Å; W208-I212 HydrophobicContact CZ3-CG1 4Å; W208-I212 PolarHBondContact O-N 3.41Å; Q209-I212 PolarHBondContact O-N 3.18Å; I212-H214 PolarHBondContact O-N 3.27Å; I212-S215 PolarHBondContact O-N 3.32Å; I212-S215 VanDerWaalsContact O-N 3.14Å; I212-L216 HydrophobicContact CG2-CD1 4.05Å; I212-L216 WeakPolarHBondContact O-CG 3.23Å; I212-L216 PolarHBondContact O-N 3.32Å; I212-L216 VanDerWaalsContact O-N 3.08Å
213R98.4Very high95.5Very high82 Ų8258.8 Ų58.831%0.30929%0.285SS..Hα-helixtrans-58-48.6175.6-70.5-179.3-59.4-107.112.5112.1L187 Y191 Q206 Q209 N210 S215 L216 S217L187-R213 HydrophobicContact CD1-CG 4.12Å; L187-R213 HydrophobicContact CD2-CG 3.98Å; Y191-R213 VanDerWaalsContact OH-CG 3.31Å; Y191-R213 WeakPolarHBondContact OH-CG 3.43Å; Y191-R213 PolarHBondContact OH-NH1 2.92Å; Y191-R213 VanDerWaalsContact OH-NH1 3.08Å; Q206-R213 VanDerWaalsContact OE1-NH2 3.09Å; Q209-R213 WeakPolarHBondContact O-CG 3.18Å; Q209-R213 PolarHBondContact O-N 3.47Å; N210-R213 PolarHBondContact O-N 3.21Å; N210-R213 PolarHBondContact OD1-NE 2.94Å; N210-R213 PolarHBondContact OD1-NH2 3.5Å; R213-S215 VanDerWaalsContact C-N 3.26Å; R213-S215 PolarHBondContact O-N 3.37Å; R213-L216 PolarHBondContact O-N 3.37Å; R213-S217 PolarHBondContact O-N 3.08Å; R213-S217 PolarHBondContact O-OG 3.38Å
214H97.6Very high95.7Very high84 Ų8458.3 Ų58.339%0.38928%0.28SS..Hα-helixtrans-64.8-32177.577.639.4000112.2N210 S211 I212 S217 F218N210-H214 PolarHBondContact O-N 3.38Å; S211-H214 WeakPolarHBondContact CA-NE2 3.37Å; S211-H214 WeakPolarHBondContact CB-NE2 2.98Å; S211-H214 PolarHBondContact O-CE1 3.47Å; S211-H214 VanDerWaalsContact O-CE1 3.25Å; S211-H214 PolarHBondContact O-ND1 2.93Å; S211-H214 PolarHBondContact OG-NE2 3.48Å; S211-H214 VanDerWaalsContact OG-NE2 3.1Å; I212-H214 PolarHBondContact O-N 3.27Å; H214-S217 PolarHBondContact O-N 2.86Å; H214-S217 PolarHBondContact O-OG 3.36Å; H214-F218 WeakPolarHBondContact O-CB 3.44Å; H214-F218 PolarHBondContact O-N 3.11Å
215S96.3Very high95.8Very high5 Ų554.4 Ų54.44%0.03526%0.261CS..Hα-helixtrans-71.9-37.4-177-62.20000112Y169 S211 I212 R213 N219Y169-S215 WeakPolarHBondContact CB-OG 3.38Å; S211-S215 VanDerWaalsContact O-CB 3.26Å; S211-S215 WeakPolarHBondContact O-CB 3.4Å; S211-S215 PolarHBondContact O-N 2.96Å; S211-S215 PolarHBondContact O-OG 3.49Å; I212-S215 PolarHBondContact O-N 3.32Å; I212-S215 VanDerWaalsContact O-N 3.14Å; R213-S215 VanDerWaalsContact C-N 3.26Å; R213-S215 PolarHBondContact O-N 3.37Å; S215-N219 WeakPolarHBondContact O-CB 3.36Å; S215-N219 PolarHBondContact O-N 2.96Å; S215-N219 PolarHBondContact O-ND2 3.2Å
216L97.1Very high95.8Very high2 Ų255.3 Ų55.31%0.0127%0.274CS..Hα-helixtrans-67.2-37.8174.9-69.4167000112.4I173 L187 I190 I212 R213 F222 W238I173-L216 HydrophobicContact CD1-CD2 4.06Å; I173-L216 HydrophobicContact CD1-CG 4.02Å; I173-L216 HydrophobicContact CG2-CD2 3.72Å; L187-L216 HydrophobicContact CD1-CD1 3.57Å; I190-L216 HydrophobicContact CD1-CD1 4.3Å; I190-L216 HydrophobicContact CD1-CD2 4.29Å; I212-L216 HydrophobicContact CG2-CD1 4.05Å; I212-L216 WeakPolarHBondContact O-CG 3.23Å; I212-L216 PolarHBondContact O-N 3.32Å; I212-L216 VanDerWaalsContact O-N 3.08Å; R213-L216 PolarHBondContact O-N 3.37Å; L216-F222 HydrophobicContact CD2-CB 4.07Å; L216-F222 HydrophobicContact CD2-CD2 4.17Å; L216-F222 HydrophobicContact CD2-CG 4Å; L216-W238 HydrophobicContact CB-CD2 4.13Å; L216-W238 HydrophobicContact CB-CE3 4.02Å; L216-W238 HydrophobicContact CB-CH2 3.81Å; L216-W238 HydrophobicContact CB-CZ2 3.94Å; L216-W238 HydrophobicContact CB-CZ3 3.86Å; L216-W238 HydrophobicContact CD1-CD2 4.25Å; L216-W238 HydrophobicContact CD1-CG 4.34Å; L216-W238 HydrophobicContact CD2-CB 4.16Å; L216-W238 HydrophobicContact CD2-CD2 3.85Å; L216-W238 HydrophobicContact CD2-CE3 3.98Å; L216-W238 HydrophobicContact CD2-CG 3.94Å; L216-W238 HydrophobicContact CG-CD2 4.31Å; L216-W238 VanDerWaalsContact O-CZ3 3.24Å; L216-W238 WeakPolarHBondContact O-CZ3 3.18Å
217S95.7Very high95.6Very high86 Ų8652.6 Ų52.660%0.60126%0.258SS*.Hα-helixtrans-82.1-29.8179.1590000114.5R213 H214R213-S217 PolarHBondContact O-N 3.08Å; R213-S217 PolarHBondContact O-OG 3.38Å; H214-S217 PolarHBondContact O-N 2.86Å; H214-S217 PolarHBondContact O-OG 3.36Å
218F91.6Very high95.4Very high128 Ų12849.7 Ų49.756%0.56126%0.257SS*.Hα-helixtrans-89.1-24.6-172.5-178.9-105.6000114.7H214 R259H214-F218 WeakPolarHBondContact O-CB 3.44Å; H214-F218 PolarHBondContact O-N 3.11Å; F218-R259 VanDerWaalsContact CZ-NH2 3.31Å; F218-R259 PolarHBondContact O-NH2 3.46Å
219N91.5Very high94.9Very high15 Ų1554.6 Ų54.68%0.0829%0.29CS..  trans-102.9121.2-175-63.8-72.6000110.9S215 C221 F222S215-N219 WeakPolarHBondContact O-CB 3.36Å; S215-N219 PolarHBondContact O-N 2.96Å; S215-N219 PolarHBondContact O-ND2 3.2Å; N219-C221 HydrophobicContact CB-CB 4.42Å; N219-C221 PolarHBondContact O-N 2.6Å; N219-F222 HydrophobicContact CB-CD2 4.08Å; N219-F222 HydrophobicContact CB-CE2 4.33Å; N219-F222 PolarHBondContact O-N 3Å
220D90.5Very high94.5Very high10 Ų1059.5 Ų59.55%0.05332%0.317CS..THydrogen-bonded Turntrans-61.1-11176.6-64.2-48.4000112.9F222 F260 K261 C262 R265D220-F222 PolarHBondContact O-N 2.79Å; D220-F260 HydrophobicContact CB-CD1 4.23Å; D220-F260 HydrophobicContact CB-CE1 4.21Å; D220-K261 WeakPolarHBondContact OD2-CD 3.34Å; D220-K261 WeakPolarHBondContact OD2-CE 3.37Å; D220-K261 IonicContact OD2-NZ 3.46Å; D220-K261 PolarHBondContact OD2-NZ 2.84Å; D220-C262 HydrophobicContact CB-CB 4.21Å; D220-R265 VanDerWaalsContact OD1-CD 3.24Å; D220-R265 WeakPolarHBondContact OD1-CD 3.36Å; D220-R265 IonicContact OD1-CZ 3.5Å; D220-R265 IonicContact OD1-NE 3.3Å; D220-R265 IonicContact OD1-NH1 2.67Å; D220-R265 PolarHBondContact OD1-NH1 3.2Å
221C91.9Very high93.7Very high6 Ų662.8 Ų62.84%0.04133%0.327CS..THydrogen-bonded Turntrans-60.7-28.1170.6-52.30000113.9N219 H241 F260N219-C221 HydrophobicContact CB-CB 4.42Å; N219-C221 PolarHBondContact O-N 2.6Å; C221-H241 PolarHBondContact O-N 3.05Å; C221-F260 HydrophobicContact CB-CD1 4.36Å
222F95.1Very high93.1Very high3 Ų368.3 Ų68.31%0.01336%0.363CS..EExtended strand (participates in β ladder)trans-109.9123.3-172.9-57-55000110.3I170 I173 I177 L216 N219 D220 W238 T239 L240I170-F222 HydrophobicContact CB-CE2 4.45Å; I170-F222 HydrophobicContact CB-CZ 4.42Å; I170-F222 HydrophobicContact CG1-CE2 4.48Å; I170-F222 HydrophobicContact CG2-CE2 4.03Å; I170-F222 HydrophobicContact CG2-CZ 3.78Å; I173-F222 HydrophobicContact CB-CE1 4.03Å; I173-F222 HydrophobicContact CB-CE2 4.25Å; I173-F222 HydrophobicContact CB-CZ 3.69Å; I173-F222 HydrophobicContact CD1-CE2 3.99Å; I173-F222 HydrophobicContact CD1-CZ 4.3Å; I173-F222 HydrophobicContact CG2-CD1 3.84Å; I173-F222 HydrophobicContact CG2-CD2 4.48Å; I173-F222 HydrophobicContact CG2-CE1 3.4Å; I173-F222 HydrophobicContact CG2-CE2 4.08Å; I173-F222 HydrophobicContact CG2-CG 4.37Å; I173-F222 HydrophobicContact CG2-CZ 3.53Å; I177-F222 HydrophobicContact CD1-CD1 4.15Å; I177-F222 HydrophobicContact CD1-CE1 4.36Å; L216-F222 HydrophobicContact CD2-CB 4.07Å; L216-F222 HydrophobicContact CD2-CD2 4.17Å; L216-F222 HydrophobicContact CD2-CG 4Å; N219-F222 HydrophobicContact CB-CD2 4.08Å; N219-F222 HydrophobicContact CB-CE2 4.33Å; N219-F222 PolarHBondContact O-N 3Å; D220-F222 PolarHBondContact O-N 2.79Å; F222-W238 HydrophobicContact CB-CE3 4.18Å; F222-T239 WeakPolarHBondContact CA-O 3.24Å; F222-L240 HydrophobicContact CD1-CD1 4.27Å; F222-L240 HydrophobicContact CE1-CD1 3.97Å
223V95.7Very high92.7Very high44 Ų4470.3 Ų70.327%0.26738%0.384SS..EExtended strand (participates in β ladder)trans-107.9127.1-176.4-179.80000108.9V225 W238 T239 H241V223-V225 HydrophobicContact CG1-CG2 4.47Å; V223-W238 WeakPolarHBondContact O-CA 3.49Å; V223-T239 PolarHBondContact N-O 2.59Å; V223-T239 PolarHBondContact O-N 2.82Å; V223-T239 PolarHBondContact O-OG1 2.73Å; V223-H241 HydrophobicContact CG2-CB 4.08Å
224K97.2Very high92.4Very high132 Ų13275.5 Ų75.557%0.57441%0.409SS*.EExtended strand (participates in β ladder)trans-84.1114.2177.1-175.6-174.8173.7-172.40109.3S236 W238K224-S236 WeakPolarHBondContact CE-OG 3.35Å; K224-W238 HydrophobicContact CB-CD2 4.49Å; K224-W238 HydrophobicContact CB-CE3 4.03Å; K224-W238 HydrophobicContact CB-CH2 3.93Å; K224-W238 HydrophobicContact CB-CZ2 4.37Å; K224-W238 HydrophobicContact CB-CZ3 3.74Å; K224-W238 HydrophobicContact CD-CH2 4.38Å; K224-W238 HydrophobicContact CD-CZ2 4.4Å; K224-W238 HydrophobicContact CG-CH2 4.26Å; K224-W238 HydrophobicContact CG-CZ2 4.25Å; K224-W238 HydrophobicContact CG-CZ3 4.49Å
225V95.6Very high92.2Very high46 Ų4674 Ų7428%0.27942%0.416SS..EExtended strand (participates in β ladder)trans-103.1124.5-179.3-179.60000109.5V223 S236 F237 T239V223-V225 HydrophobicContact CG1-CG2 4.47Å; V225-S236 WeakPolarHBondContact O-CB 3.32Å; V225-F237 HydrophobicContact CB-CB 4.23Å; V225-F237 PolarHBondContact N-O 3.41Å; V225-F237 PolarHBondContact O-N 3.31Å; V225-T239 HydrophobicContact CG2-CG2 3.86Å; V225-T239 WeakPolarHBondContact CG2-OG1 3.38Å
226P94.7Very high92.2Very high100 Ų10075.1 Ų75.165%0.64942%0.424SS*.PPolyproline II helixtrans-64.5153.1175.929.1-34.7000111
227R93.8Very high92.2Very high78 Ų7877.5 Ų77.529%0.29443%0.434SS..PPolyproline II helixtrans-76145.2169.1-67.1-178.4-178.5-104.74109.6G233 K234 G235 F237R227-G233 WeakPolarHBondContact CD-O 3.24Å; R227-G233 PolarHBondContact NE-O 3.49Å; R227-K234 PolarHBondContact NH2-O 2.79Å; R227-G235 WeakPolarHBondContact CD-O 3.42Å; R227-G235 PolarHBondContact NE-O 2.77Å; R227-F237 HydrophobicContact CG-CD2 4.15Å; R227-F237 HydrophobicContact CG-CE2 3.96Å
228T90.7Very high92.3Very high87 Ų8775.2 Ų75.253%0.53441%0.412SS..PPolyproline II helixtrans-59.7138.1165.8-27.70000109.8D230 K231T228-D230 WeakPolarHBondContact CG2-OD2 3.4Å; T228-D230 PolarHBondContact O-N 3Å; T228-D230 VanDerWaalsContact O-N 3.16Å; T228-K231 PolarHBondContact O-N 3.17Å
229P88.4Confident92.5Very high115 Ų11570.4 Ų70.475%0.74739%0.394SS*.THydrogen-bonded Turntrans-55.6-32.3-179.420.2-33.8000113.6K231P229-K231 PolarHBondContact O-N 2.82Å
230D88.7Confident92.7Very high129 Ų12971.1 Ų71.169%0.6940%0.397SS*.THydrogen-bonded Turntrans-61.4-16.5-178.9-29.3-45.9000114.3T228T228-D230 WeakPolarHBondContact CG2-OD2 3.4Å; T228-D230 PolarHBondContact O-N 3Å; T228-D230 VanDerWaalsContact O-N 3.16Å
231K81.8Confident92.8Very high159 Ų15972 Ų7269%0.69140%0.401SS*.SBendtrans-127.473.2-178.8-67.7-173.4-179.6178.50110.8T228 P229 G233T228-K231 PolarHBondContact O-N 3.17Å; P229-K231 PolarHBondContact O-N 2.82Å; K231-G233 PolarHBondContact O-N 2.92Å
232P85.3Confident92.6Very high123 Ų12376.5 Ų76.580%0.79943%0.43SS*.  trans-57.6128.2177.324.7-34.2000110.4
233G90Very high92Very high43 Ų4381 Ų8144%0.44345%0.454SS..  trans-169.5158.7-174.800000112.9R227 K231 G235R227-G233 WeakPolarHBondContact CD-O 3.24Å; R227-G233 PolarHBondContact NE-O 3.49Å; K231-G233 PolarHBondContact O-N 2.92Å; G233-G235 PolarHBondContact O-N 3.25Å
234K91.7Very high91.3Very high191 Ų19178.9 Ų78.983%0.8344%0.441SS*.SBendtrans-68.8127.3-172.1-168.8172.2-176.7174.20112R227R227-K234 PolarHBondContact NH2-O 2.79Å
235G93.6Very high90.1Very high53 Ų5373.5 Ų73.555%0.54642%0.424SS..SBendtrans68.5-170.817400000114.8R227 G233R227-G235 WeakPolarHBondContact CD-O 3.42Å; R227-G235 PolarHBondContact NE-O 2.77Å; G233-G235 PolarHBondContact O-N 3.25Å
236S96.1Very high88.9Confident28 Ų2876.3 Ų76.320%0.19644%0.437CS..  trans-108.6160.4-177.1-57.90000111.4K224 V225K224-S236 WeakPolarHBondContact CE-OG 3.35Å; V225-S236 WeakPolarHBondContact O-CB 3.32Å
237F97Very high87.6Confident52 Ų5275 Ų7523%0.22842%0.423CS..EExtended strand (participates in β ladder)trans-76.6154.9165-67-71.7000110.2M184 T186 V225 R227M184-F237 HydrophobicContact CB-CB 4.36Å; M184-F237 HydrophobicContact CG-CB 4.29Å; M184-F237 HydrophobicContact CG-CD1 4.01Å; M184-F237 HydrophobicContact CG-CG 4.18Å; M184-F237 HydrophobicContact SD-CB 4.17Å; M184-F237 HydrophobicContact SD-CD1 4.31Å; M184-F237 HydrophobicContact SD-CD2 4.22Å; M184-F237 HydrophobicContact SD-CG 3.99Å; T186-F237 HydrophobicContact CG2-CD1 3.68Å; T186-F237 HydrophobicContact CG2-CE1 3.68Å; V225-F237 HydrophobicContact CB-CB 4.23Å; V225-F237 PolarHBondContact N-O 3.41Å; V225-F237 PolarHBondContact O-N 3.31Å; R227-F237 HydrophobicContact CG-CD2 4.15Å; R227-F237 HydrophobicContact CG-CE2 3.96Å
238W97.8Very high86.5Confident37 Ų3771.5 Ų71.514%0.1441%0.41CS..EExtended strand (participates in β ladder)trans-123.4125.6172.7-66.192.7000108.9M184 L185 I190 L216 F222 V223 K224M184-W238 WeakPolarHBondContact CA-O 3.35Å; L185-W238 PolarHBondContact N-O 2.87Å; L185-W238 VanDerWaalsContact N-O 3.09Å; L185-W238 PolarHBondContact O-N 3.21Å; I190-W238 HydrophobicContact CD1-CB 4.38Å; L216-W238 HydrophobicContact CB-CD2 4.13Å; L216-W238 HydrophobicContact CB-CE3 4.02Å; L216-W238 HydrophobicContact CB-CH2 3.81Å; L216-W238 HydrophobicContact CB-CZ2 3.94Å; L216-W238 HydrophobicContact CB-CZ3 3.86Å; L216-W238 HydrophobicContact CD1-CD2 4.25Å; L216-W238 HydrophobicContact CD1-CG 4.34Å; L216-W238 HydrophobicContact CD2-CB 4.16Å; L216-W238 HydrophobicContact CD2-CD2 3.85Å; L216-W238 HydrophobicContact CD2-CE3 3.98Å; L216-W238 HydrophobicContact CD2-CG 3.94Å; L216-W238 HydrophobicContact CG-CD2 4.31Å; L216-W238 VanDerWaalsContact O-CZ3 3.24Å; L216-W238 WeakPolarHBondContact O-CZ3 3.18Å; F222-W238 HydrophobicContact CB-CE3 4.18Å; V223-W238 WeakPolarHBondContact O-CA 3.49Å; K224-W238 HydrophobicContact CB-CD2 4.49Å; K224-W238 HydrophobicContact CB-CE3 4.03Å; K224-W238 HydrophobicContact CB-CH2 3.93Å; K224-W238 HydrophobicContact CB-CZ2 4.37Å; K224-W238 HydrophobicContact CB-CZ3 3.74Å; K224-W238 HydrophobicContact CD-CH2 4.38Å; K224-W238 HydrophobicContact CD-CZ2 4.4Å; K224-W238 HydrophobicContact CG-CH2 4.26Å; K224-W238 HydrophobicContact CG-CZ2 4.25Å; K224-W238 HydrophobicContact CG-CZ3 4.49Å
239T96.4Very high85.3Confident28 Ų2873.7 Ų73.717%0.17241%0.414CS..EExtended strand (participates in β ladder)trans-111.1161.7174.847.60000110.7M184 F222 V223 V225M184-T239 HydrophobicContact CB-CG2 3.49Å; M184-T239 VanDerWaalsContact CB-CG2 3.49Å; F222-T239 WeakPolarHBondContact CA-O 3.24Å; V223-T239 PolarHBondContact N-O 2.59Å; V223-T239 PolarHBondContact O-N 2.82Å; V223-T239 PolarHBondContact O-OG1 2.73Å; V225-T239 HydrophobicContact CG2-CG2 3.86Å; V225-T239 WeakPolarHBondContact CG2-OG1 3.38Å
240L94.3Very high84.1Confident30 Ų3075.5 Ų75.516%0.15742%0.418CS..EExtended strand (participates in β ladder)trans-79.4138.7165.1-162.964.2000108.8T174 I177 Q178 F222 C244 F248T174-L240 HydrophobicContact CG2-CD1 4.35Å; T174-L240 HydrophobicContact CG2-CD2 4.19Å; I177-L240 HydrophobicContact CG2-CB 4.2Å; Q178-L240 HydrophobicContact CG-CD2 4.49Å; F222-L240 HydrophobicContact CD1-CD1 4.27Å; F222-L240 HydrophobicContact CE1-CD1 3.97Å; L240-C244 WeakPolarHBondContact CD1-SG 3.5Å; L240-F248 HydrophobicContact CD1-CE2 4.23Å
241H92.3Very high82.8Confident29 Ų2971.4 Ų71.413%0.13441%0.406CS..  trans-64.4135.6172-163.5-72.9000109.2C221 V223 D243 C244 G245 F260 C262C221-H241 PolarHBondContact O-N 3.05Å; V223-H241 HydrophobicContact CG2-CB 4.08Å; H241-D243 IonicContact CE1-OD1 3.59Å; H241-D243 PolarHBondContact CE1-OD1 2.97Å; H241-D243 VanDerWaalsContact CE1-OD1 3.31Å; H241-D243 IonicContact CE1-OD2 3.39Å; H241-D243 PolarHBondContact CE1-OD2 3.44Å; H241-D243 VanDerWaalsContact ND1-CG 3.32Å; H241-D243 IonicContact ND1-OD1 3.12Å; H241-D243 PolarHBondContact ND1-OD1 3.39Å; H241-D243 IonicContact ND1-OD2 2.73Å; H241-D243 PolarHBondContact ND1-OD2 3.45Å; H241-D243 PolarHBondContact O-N 3.09Å; H241-C244 PolarHBondContact O-N 2.77Å; H241-C244 PolarHBondContact O-SG 3.01Å; H241-G245 PolarHBondContact O-N 3.1Å; H241-F260 HydrophobicContact CB-CE1 4.22Å; H241-F260 HydrophobicContact CB-CZ 4.33Å; H241-F260 AromaticContact CG-CZ 4Å; H241-F260 AromaticContact ND1-CZ 3.85Å; H241-C262 PolarHBondContact NE2-SG 3.08Å; H241-C262 VanDerWaalsContact NE2-SG 3.4Å
242P89Confident81.9Confident100 Ų10066.6 Ų66.665%0.64939%0.392SS*.G310 helixtrans-51.1-53.2-17714.6-28.7000112.4C244 G245P242-C244 PolarHBondContact O-N 2.84Å; P242-G245 PolarHBondContact O-N 3.21Å
243D82.8Confident81.1Confident96 Ų9663.4 Ų63.451%0.51336%0.364SS..G310 helixtrans-58.8-14.4-179.5-341.5000114.8H241 F260H241-D243 IonicContact CE1-OD1 3.59Å; H241-D243 PolarHBondContact CE1-OD1 2.97Å; H241-D243 VanDerWaalsContact CE1-OD1 3.31Å; H241-D243 IonicContact CE1-OD2 3.39Å; H241-D243 PolarHBondContact CE1-OD2 3.44Å; H241-D243 VanDerWaalsContact ND1-CG 3.32Å; H241-D243 IonicContact ND1-OD1 3.12Å; H241-D243 PolarHBondContact ND1-OD1 3.39Å; H241-D243 IonicContact ND1-OD2 2.73Å; H241-D243 PolarHBondContact ND1-OD2 3.45Å; H241-D243 PolarHBondContact O-N 3.09Å; D243-F260 HydrophobicContact CB-CE2 3.88Å; D243-F260 HydrophobicContact CB-CZ 4.07Å
244C80.9Confident79.8Confident0 Ų067 Ų670%037%0.372CS..G310 helixtrans-107.21.817783.50000113.8L240 H241 P242 M247 F248 F260L240-C244 WeakPolarHBondContact CD1-SG 3.5Å; H241-C244 PolarHBondContact O-N 2.77Å; H241-C244 PolarHBondContact O-SG 3.01Å; P242-C244 PolarHBondContact O-N 2.84Å; C244-M247 VanDerWaalsContact O-CB 3.3Å; C244-M247 WeakPolarHBondContact O-CB 3.28Å; C244-M247 PolarHBondContact O-N 3.31Å; C244-F248 WeakPolarHBondContact O-CD2 3.3Å; C244-F260 HydrophobicContact CB-CD1 4.13Å; C244-F260 HydrophobicContact CB-CD2 3.84Å; C244-F260 HydrophobicContact CB-CE1 4.18Å; C244-F260 HydrophobicContact CB-CE2 3.9Å; C244-F260 HydrophobicContact CB-CG 3.95Å; C244-F260 HydrophobicContact CB-CZ 4.07Å
245G72Confident78.2Confident20 Ų2066.7 Ų66.721%0.20637%0.366CS..SBendtrans-60.4-60.9175.400000113.1H241 P242 M247 F248H241-G245 PolarHBondContact O-N 3.1Å; P242-G245 PolarHBondContact O-N 3.21Å; G245-M247 PolarHBondContact O-N 3.05Å; G245-F248 PolarHBondContact O-N 3.38Å; G245-F248 VanDerWaalsContact O-N 3.09Å
246N69Low76.8Confident104 Ų10467.4 Ų67.456%0.55635%0.352SS*.Hα-helixtrans-57.6-26.4-180-48.9101.3000112.3F248 E249N246-F248 PolarHBondContact O-N 2.96Å; N246-E249 WeakPolarHBondContact CA-OE2 3.3Å; N246-E249 PolarHBondContact ND2-OE2 2.92Å; N246-E249 WeakPolarHBondContact O-CB 3.46Å; N246-E249 PolarHBondContact O-N 3.14Å; N246-E249 VanDerWaalsContact O-N 3.09Å
247M69Low75.1Confident73 Ų7376 Ų7636%0.3639%0.39SS..Hα-helixtrans-63.3-13.7179.9-145.4176.5-76.600114.2C244 G245 R256 F260C244-M247 VanDerWaalsContact O-CB 3.3Å; C244-M247 WeakPolarHBondContact O-CB 3.28Å; C244-M247 PolarHBondContact O-N 3.31Å; G245-M247 PolarHBondContact O-N 3.05Å; M247-R256 VanDerWaalsContact CG-CZ 3.46Å; M247-R256 PolarHBondContact O-NH1 3.32Å; M247-R256 PolarHBondContact SD-NH2 2.85Å; M247-F260 HydrophobicContact CE-CD2 3.83Å; M247-F260 HydrophobicContact SD-CB 4.22Å; M247-F260 HydrophobicContact SD-CD2 4.46Å
248F69.9Low73.6Confident4 Ų482.4 Ų82.42%0.01842%0.417CS..Hα-helixtrans-118.8-6173.2-57.9-94.2000113.7I170 T174 L240 C244 G245 N246 N250 G251 R256I170-F248 HydrophobicContact CG2-CE1 4.15Å; I170-F248 HydrophobicContact CG2-CZ 3.8Å; T174-F248 HydrophobicContact CG2-CB 3.93Å; T174-F248 HydrophobicContact CG2-CD1 3.87Å; T174-F248 HydrophobicContact CG2-CD2 3.74Å; T174-F248 HydrophobicContact CG2-CE1 4.23Å; T174-F248 HydrophobicContact CG2-CE2 4.11Å; T174-F248 HydrophobicContact CG2-CG 3.61Å; T174-F248 HydrophobicContact CG2-CZ 4.34Å; T174-F248 WeakPolarHBondContact OG1-CZ 3.39Å; L240-F248 HydrophobicContact CD1-CE2 4.23Å; C244-F248 WeakPolarHBondContact O-CD2 3.3Å; G245-F248 PolarHBondContact O-N 3.38Å; G245-F248 VanDerWaalsContact O-N 3.09Å; N246-F248 PolarHBondContact O-N 2.96Å; F248-N250 PolarHBondContact O-N 3.19Å; F248-G251 PolarHBondContact O-N 3.46Å; F248-G251 VanDerWaalsContact O-N 3.14Å; F248-R256 VanDerWaalsContact CZ-NH1 3.33Å
249E66.4Low72.2Confident133 Ų13387 Ų8762%0.62143%0.434SS*.Hα-helixtrans-67.6-37.4-169.1-170.2160.9-143.800112.4N246 G251N246-E249 WeakPolarHBondContact CA-OE2 3.3Å; N246-E249 PolarHBondContact ND2-OE2 2.92Å; N246-E249 WeakPolarHBondContact O-CB 3.46Å; N246-E249 PolarHBondContact O-N 3.14Å; N246-E249 VanDerWaalsContact O-N 3.09Å; E249-G251 PolarHBondContact O-N 2.67Å
250N61.6Low70.8Confident153 Ų15386.7 Ų86.782%0.81843%0.431SS*.THydrogen-bonded Turntrans-7224.4171.3-5081.4000114F248 C252F248-N250 PolarHBondContact O-N 3.19Å; N250-C252 PolarHBondContact O-N 2.73Å
251G61.5Low69.8Low43 Ų4391.3 Ų91.344%0.44345%0.45SS..SBendtrans69.511.2176.400000115.9F248 E249 Y253F248-G251 PolarHBondContact O-N 3.46Å; F248-G251 VanDerWaalsContact O-N 3.14Å; E249-G251 PolarHBondContact O-N 2.67Å; G251-Y253 VanDerWaalsContact C-N 3.26Å; G251-Y253 WeakPolarHBondContact O-CD2 3.48Å; G251-Y253 PolarHBondContact O-N 3.33Å
252C62.9Low68.5Low59 Ų5990.5 Ų90.540%0.39945%0.447SS..  trans-77.672.8-177.7-166.70000112.1N250 L254N250-C252 PolarHBondContact O-N 2.73Å; C252-L254 VanDerWaalsContact C-N 3.32Å
253Y68.3Low67.5Low56 Ų5694.2 Ų94.222%0.2246%0.456CS..  trans-84.8-3174.2-60.2-70.5000113.5S171 M175 Q178 G251S171-Y253 VanDerWaalsContact CB-O 3.24Å; S171-Y253 WeakPolarHBondContact CB-O 3.34Å; S171-Y253 PolarHBondContact OG-O 3.18Å; M175-Y253 HydrophobicContact CG-CD1 3.65Å; M175-Y253 HydrophobicContact CG-CE1 3.33Å; M175-Y253 HydrophobicContact CG-CG 4.39Å; M175-Y253 HydrophobicContact SD-CD1 4.14Å; M175-Y253 HydrophobicContact SD-CE1 4.22Å; M175-Y253 HydrophobicContact SD-CG 4.31Å; Q178-Y253 PolarHBondContact OE1-OH 2.79Å; G251-Y253 VanDerWaalsContact C-N 3.26Å; G251-Y253 WeakPolarHBondContact O-CD2 3.48Å; G251-Y253 PolarHBondContact O-N 3.33Å
254L63.6Low66.5Low117 Ų11798.6 Ų98.661%0.61347%0.47SS*.SBendtrans-78.4165.9173.1-85.664.8000111C252 R256C252-L254 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 3.01Å
255R57.7Low65.4Low185 Ų185104.3 Ų104.370%0.69849%0.492SS*.  trans-65.8101.6-175.1175.3179.1150172.2-8111.5
256R65Low64.1Low68 Ų68105 Ų10526%0.25750%0.499SS..  trans-61.1143.9171.2-61.2-162.6-66-99.74.9111.5M247 F248 L254M247-R256 VanDerWaalsContact CG-CZ 3.46Å; M247-R256 PolarHBondContact O-NH1 3.32Å; M247-R256 PolarHBondContact SD-NH2 2.85Å; F248-R256 VanDerWaalsContact CZ-NH1 3.33Å; L254-R256 PolarHBondContact O-N 3.01Å
257Q59.2Low62.9Low210 Ų210102.6 Ų102.698%0.98150%0.499SS*.SBendtrans-76.6-31.4179.8-68.8176-15.800113.5
258K66.6Low61.9Low185 Ų185104 Ų10480%0.80452%0.516SS*.SBendtrans-103131.3-179.4-166.4173-178.3179.10111
259R68.1Low61Low133 Ų133107.2 Ų107.250%0.50254%0.539SS..PPolyproline II helixtrans-77.2132.8176.6-175.8178.2-178.5173.13.4110.2F218F218-R259 VanDerWaalsContact CZ-NH2 3.31Å; F218-R259 PolarHBondContact O-NH2 3.46Å
260F67.9Low60.1Low22 Ų22106 Ų10610%0.09654%0.537CS..PPolyproline II helixtrans-66.2133.7168172.7-101.4000110.1D220 C221 H241 D243 C244 M247 C262D220-F260 HydrophobicContact CB-CD1 4.23Å; D220-F260 HydrophobicContact CB-CE1 4.21Å; C221-F260 HydrophobicContact CB-CD1 4.36Å; H241-F260 HydrophobicContact CB-CE1 4.22Å; H241-F260 HydrophobicContact CB-CZ 4.33Å; H241-F260 AromaticContact CG-CZ 4Å; H241-F260 AromaticContact ND1-CZ 3.85Å; D243-F260 HydrophobicContact CB-CE2 3.88Å; D243-F260 HydrophobicContact CB-CZ 4.07Å; C244-F260 HydrophobicContact CB-CD1 4.13Å; C244-F260 HydrophobicContact CB-CD2 3.84Å; C244-F260 HydrophobicContact CB-CE1 4.18Å; C244-F260 HydrophobicContact CB-CE2 3.9Å; C244-F260 HydrophobicContact CB-CG 3.95Å; C244-F260 HydrophobicContact CB-CZ 4.07Å; M247-F260 HydrophobicContact CE-CD2 3.83Å; M247-F260 HydrophobicContact SD-CB 4.22Å; M247-F260 HydrophobicContact SD-CD2 4.46Å; F260-C262 HydrophobicContact CE1-CB 4.13Å; F260-C262 HydrophobicContact CZ-CB 4.2Å
261K71.5Confident59.6Low127 Ų127100.8 Ų100.855%0.55251%0.512SS*.  trans-136.6114.6178.8-171.368.5-167.4159.10109.6D220 E263D220-K261 WeakPolarHBondContact OD2-CD 3.34Å; D220-K261 WeakPolarHBondContact OD2-CE 3.37Å; D220-K261 IonicContact OD2-NZ 3.46Å; D220-K261 PolarHBondContact OD2-NZ 2.84Å; K261-E263 PolarHBondContact O-N 3.18Å
262C66.3Low59.2Low12 Ų12105.5 Ų105.58%0.08152%0.52CS..  trans-77.7108.1172.8178.60000109.2D220 H241 F260 K264 R265D220-C262 HydrophobicContact CB-CB 4.21Å; H241-C262 PolarHBondContact NE2-SG 3.08Å; H241-C262 VanDerWaalsContact NE2-SG 3.4Å; F260-C262 HydrophobicContact CE1-CB 4.13Å; F260-C262 HydrophobicContact CZ-CB 4.2Å; C262-K264 PolarHBondContact O-N 3.42Å; C262-R265 PolarHBondContact O-N 2.84Å
263E67.3Low58.9Low178 Ų178105.3 Ų105.383%0.83252%0.523SS*.G310 helixtrans-62.9-30.3-177.3-59.3-175.5135.200112.1K261 R265 G266K261-E263 PolarHBondContact O-N 3.18Å; E263-R265 PolarHBondContact O-N 3.21Å; E263-G266 PolarHBondContact O-N 2.69Å
264K63.1Low58.5Low189 Ų189106 Ų10682%0.82254%0.537SS*.G310 helixtrans-59.8-18.8-179.2-158.4165.8-174168.90114.2C262 G266C262-K264 PolarHBondContact O-N 3.42Å; K264-G266 PolarHBondContact O-N 2.74Å
265R56.8Low58.5Low119 Ų119108 Ų10845%0.44954%0.536SS..G310 helixtrans-71.7-9.5171.5-73.9-174.8174-171.8-2.9113.7D220 C262 E263 S269D220-R265 VanDerWaalsContact OD1-CD 3.24Å; D220-R265 WeakPolarHBondContact OD1-CD 3.36Å; D220-R265 IonicContact OD1-CZ 3.5Å; D220-R265 IonicContact OD1-NE 3.3Å; D220-R265 IonicContact OD1-NH1 2.67Å; D220-R265 PolarHBondContact OD1-NH1 3.2Å; C262-R265 PolarHBondContact O-N 2.84Å; E263-R265 PolarHBondContact O-N 3.21Å; R265-S269 PolarHBondContact O-OG 3.24Å
266G43.9Very low59.2Low34 Ų34104.9 Ų104.935%0.35153%0.533SS..Hα-helixtrans-61.8-43.5173.700000113.6E263 K264 S268 S269 N270E263-G266 PolarHBondContact O-N 2.69Å; K264-G266 PolarHBondContact O-N 2.74Å; G266-S268 PolarHBondContact O-N 3.35Å; G266-S269 PolarHBondContact O-N 2.91Å; G266-S269 PolarHBondContact O-OG 3.31Å; G266-N270 WeakPolarHBondContact O-CB 3.27Å; G266-N270 PolarHBondContact O-N 3.02Å
267G43.8Very low59.5Low55 Ų55104.6 Ų104.657%0.56755%0.545SS*.Hα-helixtrans-58.6-46.1-17300000114.5S271G267-S271 VanDerWaalsContact O-CB 3.26Å; G267-S271 WeakPolarHBondContact O-CB 3.23Å; G267-S271 PolarHBondContact O-N 3.44Å; G267-S271 PolarHBondContact O-OG 3.04Å
268S49Very low60.1Low101 Ų10197.4 Ų97.471%0.70652%0.522SS*.Hα-helixtrans-87.1-10.5-176.3-500000114.6G266 S271G266-S268 PolarHBondContact O-N 3.35Å; S268-S271 WeakPolarHBondContact CA-OG 3.39Å
269S51Low60.6Low73 Ų7391.4 Ų91.451%0.5151%0.507SS..Hα-helixtrans-99.6-46.5176.3560000111.4R265 G266 S271 K272R265-S269 PolarHBondContact O-OG 3.24Å; G266-S269 PolarHBondContact O-N 2.91Å; G266-S269 PolarHBondContact O-OG 3.31Å; S269-S271 PolarHBondContact O-N 2.94Å; S269-K272 PolarHBondContact O-N 3.09Å
270N46.7Very low60.9Low108 Ų10887.6 Ų87.658%0.57850%0.504SS*.Hα-helixtrans-67-25.4176.6-156.824.9000112G266 K272 A273 S274G266-N270 WeakPolarHBondContact O-CB 3.27Å; G266-N270 PolarHBondContact O-N 3.02Å; N270-K272 PolarHBondContact O-N 2.94Å; N270-A273 PolarHBondContact O-N 3.09Å; N270-S274 VanDerWaalsContact O-CB 3.23Å; N270-S274 WeakPolarHBondContact O-CB 3.44Å; N270-S274 PolarHBondContact O-N 3.06Å
271S51.3Low61.4Low42 Ų4289.5 Ų89.529%0.29452%0.523SS..Hα-helixtrans-69-6.917055.30000114.6G267 S268 S269 R275G267-S271 VanDerWaalsContact O-CB 3.26Å; G267-S271 WeakPolarHBondContact O-CB 3.23Å; G267-S271 PolarHBondContact O-N 3.44Å; G267-S271 PolarHBondContact O-OG 3.04Å; S268-S271 WeakPolarHBondContact CA-OG 3.39Å; S269-S271 PolarHBondContact O-N 2.94Å; S271-R275 WeakPolarHBondContact O-CB 3.44Å; S271-R275 WeakPolarHBondContact O-CG 3.41Å; S271-R275 PolarHBondContact O-N 2.85Å; S271-R275 PolarHBondContact O-NE 3.32Å; S271-R275 PolarHBondContact O-NH2 2.72Å
272K53.1Low61.7Low142 Ų14286.2 Ų86.262%0.61752%0.52SS*.Hα-helixtrans-87.1-43.8163.1-72-171.9176.3-175.30111.7S269 N270 R275 N276S269-K272 PolarHBondContact O-N 3.09Å; N270-K272 PolarHBondContact O-N 2.94Å; K272-R275 PolarHBondContact O-N 3.47Å; K272-N276 PolarHBondContact O-N 3.26Å; K272-N276 PolarHBondContact O-OD1 3.37Å
273A56.1Low62.3Low56 Ų5688.6 Ų88.646%0.46354%0.541SS..Hα-helixtrans-60.8-45.3174.300000111.8N270 N276 A277N270-A273 PolarHBondContact O-N 3.09Å; A273-N276 PolarHBondContact O-N 3.32Å; A273-A277 WeakPolarHBondContact O-CB 3.31Å; A273-A277 PolarHBondContact O-N 3.31Å
274S59.9Low62.8Low71 Ų7187.1 Ų87.150%0.49754%0.535SS..Hα-helixtrans-61.5-40.5173.6167.90000112.7N270 A277 A278N270-S274 VanDerWaalsContact O-CB 3.23Å; N270-S274 WeakPolarHBondContact O-CB 3.44Å; N270-S274 PolarHBondContact O-N 3.06Å; S274-A277 PolarHBondContact O-N 3.3Å; S274-A278 VanDerWaalsContact O-CB 3.25Å; S274-A278 WeakPolarHBondContact O-CB 3.49Å; S274-A278 PolarHBondContact O-N 2.98Å
275R65Low63.5Low158 Ų15881 Ų8160%0.59652%0.521SS*.Hα-helixtrans-62.6-42.4173.1-94.4179.1-77.7-169.9-10.4112.2S271 K272 A278 A279S271-R275 WeakPolarHBondContact O-CB 3.44Å; S271-R275 WeakPolarHBondContact O-CG 3.41Å; S271-R275 PolarHBondContact O-N 2.85Å; S271-R275 PolarHBondContact O-NE 3.32Å; S271-R275 PolarHBondContact O-NH2 2.72Å; K272-R275 PolarHBondContact O-N 3.47Å; R275-A278 PolarHBondContact O-N 3.22Å; R275-A279 VanDerWaalsContact O-CB 3.27Å; R275-A279 WeakPolarHBondContact O-CB 3.49Å; R275-A279 PolarHBondContact O-N 2.83Å
276N71.3Confident64.4Low119 Ų11978.3 Ų78.364%0.63652%0.524SS*.Hα-helixtrans-67.3-39.5177-69.312.5000111.8K272 A273 A279 A280K272-N276 PolarHBondContact O-N 3.26Å; K272-N276 PolarHBondContact O-OD1 3.37Å; A273-N276 PolarHBondContact O-N 3.32Å; N276-A279 PolarHBondContact O-N 3.33Å; N276-A280 WeakPolarHBondContact O-CB 3.32Å; N276-A280 PolarHBondContact O-N 2.87Å
277A71.4Confident65.8Low63 Ų6379.8 Ų79.852%0.52153%0.532SS..Hα-helixtrans-66.1-42.8175.200000112.3A273 S274 A280 A281A273-A277 WeakPolarHBondContact O-CB 3.31Å; A273-A277 PolarHBondContact O-N 3.31Å; S274-A277 PolarHBondContact O-N 3.3Å; A277-A280 PolarHBondContact O-N 2.94Å; A277-A281 WeakPolarHBondContact O-CB 3.46Å; A277-A281 PolarHBondContact O-N 3.48Å
278A73.1Confident67.1Low58 Ų5880.6 Ų80.648%0.47953%0.534SS..Hα-helixtrans-65.6-40.1175.500000112S274 R275 A281 A282S274-A278 VanDerWaalsContact O-CB 3.25Å; S274-A278 WeakPolarHBondContact O-CB 3.49Å; S274-A278 PolarHBondContact O-N 2.98Å; R275-A278 PolarHBondContact O-N 3.22Å; A278-A281 PolarHBondContact O-N 2.87Å; A278-A282 VanDerWaalsContact O-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.43Å; A278-A282 PolarHBondContact O-N 3.37Å
279A75.2Confident67.9Low60 Ų6079.7 Ų79.750%0.49653%0.533SS..Hα-helixtrans-64.5-40.917400000112.1R275 N276 A282 A283R275-A279 VanDerWaalsContact O-CB 3.27Å; R275-A279 WeakPolarHBondContact O-CB 3.49Å; R275-A279 PolarHBondContact O-N 2.83Å; N276-A279 PolarHBondContact O-N 3.33Å; A279-A282 PolarHBondContact O-N 3.49Å; A279-A283 VanDerWaalsContact O-CB 3.31Å; A279-A283 WeakPolarHBondContact O-CB 3.26Å; A279-A283 PolarHBondContact O-N 2.99Å
280A76Confident68.5Low53 Ų5383.5 Ų83.544%0.43855%0.547SS..Hα-helixtrans-64.7-43.3174.600000112.1N276 A277 A283 M284N276-A280 WeakPolarHBondContact O-CB 3.32Å; N276-A280 PolarHBondContact O-N 2.87Å; A277-A280 PolarHBondContact O-N 2.94Å; A280-A283 PolarHBondContact O-N 2.77Å; A280-M284 WeakPolarHBondContact O-CG 3.46Å; A280-M284 PolarHBondContact O-N 2.89Å
281A77.7Confident69.1Low61 Ų6185.5 Ų85.550%0.50456%0.558SS.*Hα-helixtrans-63.7-43.2175.500000112.1A277 A278 M284 A285A277-A281 WeakPolarHBondContact O-CB 3.46Å; A277-A281 PolarHBondContact O-N 3.48Å; A278-A281 PolarHBondContact O-N 2.87Å; A281-M284 PolarHBondContact O-N 3.18Å; A281-A285 WeakPolarHBondContact O-CB 3.25Å; A281-A285 PolarHBondContact O-N 3.36Å
282A78.7Confident69.1Low59 Ų5986.7 Ų86.749%0.48858%0.577SS.*Hα-helixtrans-64-39.4175.300000112.2A278 A279 A285 A286A278-A282 VanDerWaalsContact O-CB 3.29Å; A278-A282 WeakPolarHBondContact O-CB 3.43Å; A278-A282 PolarHBondContact O-N 3.37Å; A279-A282 PolarHBondContact O-N 3.49Å; A282-A285 PolarHBondContact O-N 3.32Å; A282-A286 WeakPolarHBondContact O-CB 3.38Å; A282-A286 PolarHBondContact O-N 3.25Å
283A78.5Confident68.4Low62 Ų6284 Ų8451%0.51259%0.589SS.*Hα-helixtrans-64.7-41.6174.900000112.2A279 A280 A286 A287A279-A283 VanDerWaalsContact O-CB 3.31Å; A279-A283 WeakPolarHBondContact O-CB 3.26Å; A279-A283 PolarHBondContact O-N 2.99Å; A280-A283 PolarHBondContact O-N 2.77Å; A283-A286 PolarHBondContact O-N 3.28Å; A283-A287 WeakPolarHBondContact O-CB 3.29Å; A283-A287 PolarHBondContact O-N 2.9Å
284M77.9Confident67.9Low146 Ų14687.2 Ų87.272%0.71961%0.609SS**Hα-helixtrans-64.5-41.9173.5-71.9-174.4-178.300112.1A280 A281 A287 A288A280-M284 WeakPolarHBondContact O-CG 3.46Å; A280-M284 PolarHBondContact O-N 2.89Å; A281-M284 PolarHBondContact O-N 3.18Å; M284-A287 PolarHBondContact O-N 2.97Å; M284-A288 WeakPolarHBondContact O-CB 3.17Å; M284-A288 PolarHBondContact O-N 3.47Å
285A77.7Confident67Low62 Ų6287 Ų8751%0.51262%0.617SS.*Hα-helixtrans-63.8-42.6176.900000112.3A281 A282 A288 A289A281-A285 WeakPolarHBondContact O-CB 3.25Å; A281-A285 PolarHBondContact O-N 3.36Å; A282-A285 PolarHBondContact O-N 3.32Å; A285-A288 PolarHBondContact O-N 2.91Å; A285-A289 WeakPolarHBondContact O-CB 3.47Å; A285-A289 PolarHBondContact O-N 3.37Å
286A75.2Confident66.1Low62 Ų6286.2 Ų86.251%0.51263%0.63SS.*Hα-helixtrans-65-41.2175.200000112.3A282 A283 A288 A289 N290A282-A286 WeakPolarHBondContact O-CB 3.38Å; A282-A286 PolarHBondContact O-N 3.25Å; A283-A286 PolarHBondContact O-N 3.28Å; A286-A288 VanDerWaalsContact C-N 3.34Å; A286-A288 PolarHBondContact O-N 3.42Å; A286-A289 PolarHBondContact O-N 3.49Å; A286-N290 PolarHBondContact O-N 3.38Å; A286-N290 VanDerWaalsContact O-N 3.16Å
287A72.9Confident64.9Low64 Ų6486.7 Ų86.753%0.52964%0.637SS.*Hα-helixtrans-64.9-35.7175.800000112.7A283 M284A283-A287 WeakPolarHBondContact O-CB 3.29Å; A283-A287 PolarHBondContact O-N 2.9Å; M284-A287 PolarHBondContact O-N 2.97Å
288A71.1Confident63.7Low73 Ų7389.4 Ų89.460%0.60365%0.65SS**Hα-helixtrans-69-44.7174.100000112.1M284 A285 A286 N290 N291M284-A288 WeakPolarHBondContact O-CB 3.17Å; M284-A288 PolarHBondContact O-N 3.47Å; A285-A288 PolarHBondContact O-N 2.91Å; A286-A288 VanDerWaalsContact C-N 3.34Å; A286-A288 PolarHBondContact O-N 3.42Å; A288-N290 VanDerWaalsContact C-N 3.3Å; A288-N290 PolarHBondContact O-N 2.95Å; A288-N291 PolarHBondContact O-N 3.37Å
289A67.2Low62.1Low82 Ų8295.6 Ų95.668%0.67867%0.666SS**Hα-helixtrans-60.7-37.5179.800000112.8A285 A286 N291A285-A289 WeakPolarHBondContact O-CB 3.47Å; A285-A289 PolarHBondContact O-N 3.37Å; A286-A289 PolarHBondContact O-N 3.49Å; A289-N291 PolarHBondContact O-N 2.95Å
290N62.3Low60.5Low152 Ų152103.1 Ų103.181%0.81368%0.682SS**THydrogen-bonded Turntrans-79.22.6-175.6-144.937.1000114.5A286 A288A286-N290 PolarHBondContact O-N 3.38Å; A286-N290 VanDerWaalsContact O-N 3.16Å; A288-N290 VanDerWaalsContact C-N 3.3Å; A288-N290 PolarHBondContact O-N 2.95Å
291N60.5Low59.1Low150 Ų150106.2 Ų106.280%0.80270%0.695SS**THydrogen-bonded Turntrans-117.64.8-176.9-123.9-21.4000113.9A288 A289A288-N291 PolarHBondContact O-N 3.37Å; A289-N291 PolarHBondContact O-N 2.95Å
292G50.2Low57.4Low68 Ų68108.9 Ų108.970%0.70170%0.699SS**  trans-94.17.2179.600000115.6S294G292-S294 PolarHBondContact O-N 3.35Å; G292-S294 VanDerWaalsContact O-N 3.12Å
293G38.6Very low55.8Low85 Ų85111.9 Ų111.988%0.87672%0.717SS**  trans-86.460.1-164.400000116.6
294S44.7Very low54Low124 Ų124117.2 Ų117.287%0.86773%0.729SS**  trans-158.4123.3166.3-170.50000113.2G292G292-S294 PolarHBondContact O-N 3.35Å; G292-S294 VanDerWaalsContact O-N 3.12Å
295G42.6Very low52.2Low65 Ų65116.4 Ų116.467%0.6773%0.727SS**  trans134.2103.7166.300000116.3
296T45.7Very low50.6Low143 Ų143121.3 Ų121.388%0.87774%0.739SS**  trans64.4113.3145.9-48.90000119.3
297T46.4Very low49Very low128 Ų128125.7 Ų125.779%0.78575%0.754SS**  trans-78.3165.4164.457.60000111.4
298P44.9Very low47.9Very low120 Ų120127.5 Ų127.578%0.77976%0.761SS**  -146155.9102.338.3-24.1000116.5
299F40.8Very low46.6Very low189 Ų189131.8 Ų131.883%0.82977%0.773SS**  trans58.9115.4149.8-141-114.7000120.6V301F299-V301 HydrophobicContact CD1-CG2 3.92Å; F299-V301 HydrophobicContact CE1-CG2 3.45Å; F299-V301 VanDerWaalsContact CE1-CG2 3.45Å; F299-V301 HydrophobicContact CZ-CG2 4.36Å
300R41.2Very low45.3Very low218 Ų218131.3 Ų131.382%0.82378%0.776SS**  trans-122.2111.5168.2-176.7-174.2-167.6175.36108.9I302R300-I302 HydrophobicContact CG-CG1 4.32Å
301V47.6Very low44.6Very low117 Ų117131.5 Ų131.571%0.70977%0.774SS**  trans-76.2137.3167.9179.80000108.7F299F299-V301 HydrophobicContact CD1-CG2 3.92Å; F299-V301 HydrophobicContact CE1-CG2 3.45Å; F299-V301 VanDerWaalsContact CE1-CG2 3.45Å; F299-V301 HydrophobicContact CZ-CG2 4.36Å
302I40.5Very low43.8Very low117 Ų117132.7 Ų132.760%0.678%0.775SS**  trans-123.2126.4175.7-60.3173000107.8R300 K304R300-I302 HydrophobicContact CG-CG1 4.32Å; I302-K304 HydrophobicContact CG2-CG 4.49Å
303S44.5Very low43.1Very low123 Ų123139.9 Ų139.986%0.8678%0.781SS**  trans-135.4145.6147.7-85.40000108.1
304K41.1Very low43.4Very low174 Ų174141.7 Ų141.776%0.75778%0.777SS**  trans-108168.1178-62177.6179.6-179.70109.7I302I302-K304 HydrophobicContact CG2-CG 4.49Å
305N40.9Very low43.2Very low128 Ų128139.6 Ų139.668%0.68477%0.768SS**  trans154.3107.8134.4-79.720.4000106.8
306E44.4Very low43.2Very low165 Ų165142.8 Ų142.877%0.77178%0.775SS**  86.7101.982.2-77.9169.4168.200112.1
307D41.5Very low43.2Very low154 Ų154142.3 Ų142.382%0.82477%0.771SS**  trans-66.8177.1161.5-46.2-94.9000110.9
308P49.7Very low43.1Very low103 Ų103143 Ų14367%0.66978%0.775SS**  cis-142.7-164.41143.9-23.4000116.5
309D43.6Very low43.2Very low162 Ų162145.1 Ų145.187%0.86677%0.772SS**  trans68.9132.9156.6-68.9-36.7000121.4
310G39.8Very low43Very low72 Ų72144.2 Ų144.274%0.74277%0.77SS**  trans154.5100.8160.200000119
311M48.4Very low43.2Very low156 Ų156142.2 Ų142.277%0.76877%0.77SS**  trans58100.6140.6-86.342-176.700123.2
312Q42.4Very low42.8Very low176 Ų176144.5 Ų144.582%0.82277%0.773SS**  84.4145117.1-70.8169.4-1.300123.4
313R36.6Very low42.9Very low218 Ų218144.2 Ų144.282%0.82378%0.779SS**  trans-90.4175.1177.1-71.4-17875.1-118.55.3109.8
314P45.2Very low42.6Very low123 Ų123143.4 Ų143.480%0.79977%0.773SS**  cis-147-149.636.543.3-19.1000116.5
315A39.3Very low42.5Very low80 Ų80139.1 Ų139.166%0.66178%0.778SS**  trans-137.4165.6-156.300000115.2
316T43.9Very low42.5Very low133 Ų133137.8 Ų137.882%0.81678%0.779SS**  trans-134.5129.4162.3460000107.4
317V43.8Very low42.6Very low133 Ų133136.5 Ų136.581%0.80678%0.777SS**  cis82.2137.846.51780000113
318V44.5Very low42.6Very low142 Ų142136.3 Ų136.386%0.86178%0.776SS**  trans102.7126.8-176.2175.80000113.1
319K47.9Very low42.3Very low165 Ų165138 Ų13872%0.71779%0.785SS**  cis-161.2153-22.6-172.6-172.5169.4-139.40107.6E321K319-E321 IonicContact NZ-OE1 3.31Å; K319-E321 PolarHBondContact NZ-OE1 3.49Å
320E35.7Very low42.4Very low170 Ų170135.6 Ų135.679%0.79478%0.775SS**  trans-76153.9177.1-54.7140.9131.700114
321E46.1Very low42.4Very low175 Ų175139.3 Ų139.382%0.81878%0.778SS**  trans-162.7142.7132.2-111.2157.9-132.600111.2K319K319-E321 IonicContact NZ-OE1 3.31Å; K319-E321 PolarHBondContact NZ-OE1 3.49Å
322E38.1Very low42.2Very low165 Ų165139.6 Ų139.677%0.77178%0.778SS**  trans-136.7146.6-179.7-102.8-78.8159.600105.4S324E322-S324 PolarHBondContact OE2-N 3.46Å
323P43.3Very low42.3Very low111 Ų111139.2 Ų139.272%0.72178%0.778SS**  -159.21539141.1-21.5000118.8
324S38.4Very low42.8Very low107 Ų107134.6 Ų134.675%0.74878%0.776SS**  trans56.9115.8136.370.30000120.8E322E322-S324 PolarHBondContact OE2-N 3.46Å
325G39.4Very low42.4Very low84 Ų84136 Ų13687%0.86678%0.777SS**  trans-163.2140.4158.400000109.5
326S41.3Very low42.3Very low100 Ų100139 Ų13970%0.69978%0.782SS**  trans-100.6173-169.849.20000114.4
327D44.7Very low42.1Very low137 Ų137139.6 Ų139.673%0.73378%0.779SS**  trans106.5119.2147.9-51.1-50.3000119.6
328D42.1Very low42Very low150 Ų150140.6 Ų140.680%0.80278%0.779SS**  trans44.5110.3157.6-62-38.1000122
329V42.9Very low41.5Very low140 Ų140139.5 Ų139.585%0.84877%0.772SS**  trans-114.7119.4157.9178.40000109.2
330V46.9Very low40.9Very low110 Ų110135.2 Ų135.267%0.66778%0.775SS**  trans-120.8103.3175.1-176.90000109.9H332V330-H332 PolarHBondContact O-N 3.16Å; V330-H332 PolarHBondContact O-ND1 3.06Å
331D38.8Very low40.7Very low151 Ų151135.3 Ų135.381%0.80778%0.776SS**  trans-52128.7-179.5-98.8-57.2000113.6
332H44.7Very low40.3Very low162 Ų162137.7 Ų137.775%0.7578%0.777SS**  trans-136.2100.4169-80.675.9000109.8V330 P334V330-H332 PolarHBondContact O-N 3.16Å; V330-H332 PolarHBondContact O-ND1 3.06Å; H332-P334 WeakPolarHBondContact O-CD 3.44Å
333M44.2Very low40.1Very low167 Ų167139.5 Ų139.582%0.82378%0.782SS**PPolyproline II helixtrans-73.5125.8170.6-88.5177.855.200111.1
334P47.4Very low39.9Very low122 Ų122141.8 Ų141.879%0.79279%0.787SS**PPolyproline II helixtrans-79.5132.7164.332.1-31.6000110.6H332H332-P334 WeakPolarHBondContact O-CD 3.44Å
335N36.4Very low39.6Very low152 Ų152143 Ų14381%0.81379%0.785SS**PPolyproline II helixtrans-95.8132.4160.7-87.4-43.4000108.3
336D37Very low39.1Very low144 Ų144144.2 Ų144.277%0.7778%0.78SS**  trans-156.5151.6152.5-140.9-23.8000113.4
337L41.3Very low38.8Very low145 Ų145147.7 Ų147.776%0.75979%0.785SS**  trans63.4147.4169.2-52.2175.6000117.3
338L41.3Very low38.1Very low154 Ų154149.4 Ų149.481%0.80679%0.789SS**  cis-141.9153.16.3-139154.3000111.7
339V34Very low37.5Very low118 Ų118148.4 Ų148.472%0.71579%0.792SS**  trans-64.9145.5-174.81760000113.7E341V339-E341 HydrophobicContact CG1-CG 4.03Å
340G34.7Very low37.1Very low75 Ų75147 Ų14777%0.77378%0.784SS**  trans-142.766.5170.100000112.4R342G340-R342 PolarHBondContact O-N 3.17Å
341E32Very low37.1Very low172 Ų172146.3 Ų146.380%0.80478%0.782SS**  trans-57.1134.7177-79.1-169.483.200112.4V339V339-E341 HydrophobicContact CG1-CG 4.03Å
342R37.8Very low36.8Very low226 Ų226144.6 Ų144.685%0.85378%0.782SS**  trans-145.9108.3161.2-137.3179.3-70-177.6-1.7110.4G340 I344G340-R342 PolarHBondContact O-N 3.17Å; R342-I344 PolarHBondContact O-N 3.46Å
343K33.1Very low36.3Very low203 Ų203143.2 Ų143.288%0.88378%0.777SS**  trans-54.4127.4167.8-69.9177.5177.1176.30108.9
344I39.6Very low36.1Very low158 Ų158142.8 Ų142.881%0.8178%0.775SS**  trans-119.7132.4163.5-61.3-177.1000107.1R342R342-I344 PolarHBondContact O-N 3.46Å
345N32.3Very low35.8Very low133 Ų133143 Ų14371%0.71177%0.769SS**  trans-69.5151-167.6-176.549.8000113Q347N345-Q347 PolarHBondContact O-N 2.96Å
346S29.2Very low36.2Very low109 Ų109138.8 Ų138.876%0.76275%0.745SS**  trans-60.6125.6168.8-58.90000111.1
347Q35.2Very low36.4Very low173 Ų173139.2 Ų139.281%0.80874%0.743SS**  trans-135.8141.5158.8-75.5-164.7-41.800109N345 C349N345-Q347 PolarHBondContact O-N 2.96Å; Q347-C349 PolarHBondContact O-N 2.78Å
348E28.9Very low36.6Very low173 Ų173138.8 Ų138.881%0.80874%0.741SS**  trans-70.1128-172.3-59110.210800113T350E348-T350 HydrophobicContact CB-CG2 4.4Å
349C30.5Very low36.7Very low129 Ų129138.4 Ų138.487%0.87274%0.74SS**  trans-106.381.9155.2-85.40000108.3Q347 P351Q347-C349 PolarHBondContact O-N 2.78Å; C349-P351 WeakPolarHBondContact O-CD 3.12Å
350T34.6Very low37.1Very low110 Ų110136.2 Ų136.268%0.67574%0.741SS**  trans-59124.3172.145.10000109.3E348 S352E348-T350 HydrophobicContact CB-CG2 4.4Å; T350-S352 PolarHBondContact O-N 3.4Å
351P45.1Very low37.4Very low97 Ų97141.6 Ų141.663%0.6375%0.746SS**  trans-76.391.917929.8-32.8000108.5C349 M353C349-P351 WeakPolarHBondContact O-CD 3.12Å; P351-M353 PolarHBondContact O-N 3.31Å
352S34.3Very low37.5Very low114 Ų114138 Ų13880%0.79774%0.74SS**  trans-42107.8179-76.50000111.1T350 M354T350-S352 PolarHBondContact O-N 3.4Å; S352-M354 PolarHBondContact O-N 3.12Å
353M34.4Very low38.1Very low133 Ų133133.2 Ų133.266%0.65574%0.736SS**  trans-71.899.1175-69.8-141.8-63.900107.8P351 L355P351-M353 PolarHBondContact O-N 3.31Å; M353-L355 HydrophobicContact CE-CD1 4.06Å; M353-L355 PolarHBondContact O-N 3.5Å
354M38.7Very low38.5Very low159 Ų159130.2 Ų130.278%0.78373%0.729SS**  trans-71.660.1161.8-165.7174.1-75.900109.3S352 M356S352-M354 PolarHBondContact O-N 3.12Å; M354-M356 PolarHBondContact O-N 3.3Å
355L41Very low38.5Very low127 Ų127128.5 Ų128.567%0.66573%0.729SS**PPolyproline II helixtrans-55.2116.7146.9-88.3165.1000105.3M353 Q357M353-L355 HydrophobicContact CE-CD1 4.06Å; M353-L355 PolarHBondContact O-N 3.5Å; L355-Q357 PolarHBondContact O-N 3.45Å
356M46Very low38.9Very low63 Ų63127.3 Ų127.331%0.3173%0.731SS.*PPolyproline II helixtrans-69.3124.6159.3-70.3176.9169.200105.8R207 M354 D358R207-M356 HydrophobicContact CG-CE 3.88Å; R207-M356 HydrophobicContact CG-SD 4.09Å; M354-M356 PolarHBondContact O-N 3.3Å; M356-D358 PolarHBondContact O-N 2.78Å
357Q39.6Very low39.4Very low153 Ų153127.5 Ų127.572%0.71573%0.732SS**PPolyproline II helixtrans-52.9120.7152.4-8377.25.800107.3L355L355-Q357 PolarHBondContact O-N 3.45Å
358D45.5Very low39.7Very low135 Ų135128 Ų12872%0.72273%0.734SS**  trans-82.3104.1157.5-88.1-72.6000105.7M356 G360M356-D358 PolarHBondContact O-N 2.78Å; D358-G360 VanDerWaalsContact C-N 3.26Å; D358-G360 PolarHBondContact O-N 3.48Å
359D45Very low40.2Very low147 Ų147127.7 Ų127.779%0.78674%0.737SS**  trans-66.189.3169.6-68.2-61.4000108.4Q361D359-Q361 PolarHBondContact O-N 2.74Å; D359-Q361 VanDerWaalsContact O-N 3.15Å
360G41.2Very low40.7Very low72 Ų72129.8 Ų129.874%0.74274%0.739SS**  trans-62.211517900000110.4D358 S362D358-G360 VanDerWaalsContact C-N 3.26Å; D358-G360 PolarHBondContact O-N 3.48Å; G360-S362 PolarHBondContact O-N 3.35Å
361Q41.3Very low41.1Very low187 Ų187129.4 Ų129.487%0.87474%0.741SS**  trans-64.4103.8171.6-70.6-174.6-91.900109.3D359 V363D359-Q361 PolarHBondContact O-N 2.74Å; D359-Q361 VanDerWaalsContact O-N 3.15Å; Q361-V363 PolarHBondContact O-N 3.35Å
362S34.7Very low41Very low96 Ų96130.3 Ų130.367%0.67175%0.747SS**  trans-57.5128.9166.5-168.70000109G360G360-S362 PolarHBondContact O-N 3.35Å
363V49.2Very low41.3Very low127 Ų127130.4 Ų130.477%0.7775%0.747SS**  trans-124.3110.6166.3-75.80000107Q361 P365Q361-V363 PolarHBondContact O-N 3.35Å; V363-P365 WeakPolarHBondContact O-CD 3.45Å
364D42.9Very low41.8Very low139 Ų139129.3 Ų129.374%0.74375%0.75SS**  trans-70.2132.8-165.5-57.4-75.2000113.3
365P40Very low42.1Very low123 Ų123129.5 Ų129.580%0.79975%0.754SS**  trans-104.484.4163.635.1-24.9000109.7V363V363-P365 WeakPolarHBondContact O-CD 3.45Å
366S39.8Very low42.1Very low108 Ų108128.7 Ų128.776%0.75576%0.755SS**  trans-153.1144172.2-83.40000113.3
367S39.6Very low42Very low113 Ų113134 Ų13479%0.7978%0.778SS**  trans60.998.9172.3-58.30000117.4
368Q42.4Very low42Very low182 Ų182131 Ų13185%0.8578%0.78SS**  -157.4106.6116-90.3-51.9-16.300108.8
369L37.6Very low41.8Very low168 Ų168132.8 Ų132.888%0.8879%0.789SS**  trans-84.2134171.3-78.4160.6000109.3
370L42.6Very low41.4Very low173 Ų173133.2 Ų133.291%0.90679%0.79SS**  trans-162122.4158.2-106153.5000109.9
371S41.8Very low41.3Very low102 Ų102135.5 Ų135.571%0.71380%0.795SS**  trans-101171.5171.260.20000110.3
372P43.9Very low41.1Very low116 Ų116131.8 Ų131.875%0.75379%0.789SS**  -151.2131.798.435.3-16.6000117.1
373S39.5Very low41.6Very low115 Ų115134.5 Ų134.580%0.80480%0.802SS**  trans61.7159.6135.9-64.60000122.7
374P46.2Very low40.9Very low111 Ų111135.4 Ų135.472%0.72180%0.802SS**  trans-121.6-177-153.843.7-31.6000115.5
375N44.3Very low40.9Very low163 Ų163137.6 Ų137.687%0.87281%0.81SS**  trans-138.6159.7155.5-99.5-46.4000110.9
376T41.7Very low40.8Very low110 Ų110139.7 Ų139.768%0.67581%0.809SS**  trans-106.1-167.5-159.147.90000115.4
377H42.2Very low40.7Very low174 Ų174139.1 Ų139.181%0.80681%0.805SS**  trans84.3102.5-175.7-51.5-76.1000113.5
378A40.8Very low40.7Very low91 Ų91142.8 Ų142.875%0.75281%0.81SS**  cis74.1101.627.300000115.7
379L41Very low40.4Very low172 Ų172138.1 Ų138.190%0.90181%0.811SS**  -168.6166.7116.4-99.3172.7000111.2
380L35.8Very low40.2Very low155 Ų155134.1 Ų134.181%0.81281%0.809SS**  trans-100.1151.8-174.5-55.794.6000113.2
381S38.9Very low39.7Very low120 Ų120131.4 Ų131.484%0.83981%0.805SS**  trans-154.6122.6138.5520000111.1
382S37.9Very low39.4Very low109 Ų109133.3 Ų133.376%0.76281%0.812SS**  trans-95145.4168.3-57.50000109.8
383V44.5Very low39.1Very low154 Ų154133.3 Ų133.393%0.93381%0.81SS**  trans-143.4111.4151.2-108.40000108.4
384D34.6Very low38.6Very low145 Ų145134.8 Ų134.878%0.77581%0.809SS**  trans-93.6140171.4-142.1-43.6000108.2
385M44.3Very low38.2Very low186 Ų186135 Ų13592%0.91681%0.808SS**  trans-161.3140.9162.4-115.4-6015800110.4
386Q37.1Very low37.5Very low167 Ų167133.2 Ų133.278%0.7881%0.807SS**  trans-130.5158.7-152.2-163.9170.413.300113.3
387S38Very low37.7Very low95 Ų95134 Ų13466%0.66481%0.814SS**  trans101145.9142.3-149.30000118.4
388Q40Very low37.2Very low191 Ų191133.6 Ų133.689%0.89382%0.818SS**  trans67.3136.7170-46.6-172.685.400115.8
389G35.2Very low37Very low84 Ų84132.8 Ų132.887%0.86682%0.818SS**  cis141.6102.3-2.300000110.9
390G34.5Very low37Very low83 Ų83129.7 Ų129.786%0.85681%0.811SS**  trans-179.8113.2-179.400000112.9
391S31.4Very low37.6Very low116 Ų116128 Ų12881%0.81181%0.809SS**  trans-113.9111.7174.5162.30000109.1
392V35.6Very low37.7Very low143 Ų143128.5 Ų128.587%0.86781%0.813SS**  trans-139.1154161.8-164.70000108.4
393V36.9Very low37.6Very low116 Ų116128.4 Ų128.470%0.70381%0.812SS**  trans-99.8163.2-163.4-69.40000114.7
394D29.8Very low37.5Very low145 Ų145129.4 Ų129.478%0.77581%0.809SS**  trans89.5154.4135.9-101.6-51.7000124.2
395T37.2Very low37.7Very low117 Ų117129.4 Ų129.472%0.71880%0.804SS**  trans72.6113.7165.3-42.40000119.2
396C30.5Very low37.3Very low125 Ų125128.7 Ų128.785%0.84580%0.798SS**PPolyproline II helixtrans-102.5133.2157.2-60.10000110.3
397P45.2Very low37.3Very low125 Ų125125.2 Ų125.281%0.81280%0.798SS**PPolyproline II helixtrans-84.9134.416932.9-31.4000111
398N33Very low37.3Very low167 Ų167125.3 Ų125.389%0.89380%0.799SS**PPolyproline II helixtrans-100.8139.6173.8-131.1-12.1000109.5
399G36.2Very low37.3Very low73 Ų73124 Ų12475%0.75380%0.798SS**  trans-142.1119.3-177.300000112.3
400S39.6Very low37.5Very low108 Ų108125 Ų12576%0.75580%0.798SS**  trans-144.5174.8-174.9-62.20000109.1
401P48.8Very low37.6Very low120 Ų120126.4 Ų126.478%0.77980%0.801SS**  -126.9-167.3-57.138.8-24.5000110.1
402S40.5Very low37.9Very low130 Ų130124.7 Ų124.791%0.90980%0.802SS**  trans-142.6159.7163.8-82.80000111.3
403S37.2Very low38Very low107 Ų107127.3 Ų127.375%0.74881%0.805SS**  trans-123.6161-157.853.80000114.8
404M41.4Very low38.4Very low175 Ų175129.9 Ų129.986%0.86281%0.811SS**  trans-164149.4147.6-118.7170.7-74.600114.1
405Q39.3Very low38.7Very low145 Ų145129.9 Ų129.968%0.67881%0.811SS**  trans5.2132.7162.1-91.741.644.100120.6
406Q35.4Very low39.1Very low171 Ų171131 Ų13180%0.79981%0.812SS**  cis93.4100.727.7-171.4-171.142.300115.3
407A37.3Very low39.3Very low93 Ų93130.6 Ų130.677%0.76981%0.81SS**  trans174.3162.5155.700000109.5
408S39.3Very low39Very low98 Ų98127.4 Ų127.469%0.68580%0.8SS**  -173.6132.4-60.346.10000109.9
409D39.3Very low39.4Very low162 Ų162126.7 Ų126.787%0.86680%0.795SS**  trans73.3163.4154.4-59.7-45.8000124
410A40Very low39.7Very low106 Ų106131.3 Ų131.388%0.87680%0.797SS**  trans88134.9165.600000119.5
411A35.4Very low39.8Very low112 Ų112135.5 Ų135.593%0.92680%0.804SS**  trans-106.1161.1-177.900000112.2
412G38Very low39.3Very low80 Ų80141.8 Ų141.883%0.82581%0.812SS**  trans-151.1106176.600000112.2
413Q37.4Very low39.3Very low198 Ų198139.5 Ų139.593%0.92580%0.801SS**  trans-89.1135.6175.6-173.81749.200109.2
414M46.3Very low39.9Very low171 Ų171143.7 Ų143.784%0.84281%0.811SS**  trans-132.6123172.8-73-149.3-66.600112.3
415D36.1Very low39.8Very low144 Ų144139.5 Ų139.577%0.7781%0.805SS**  trans-126.3121.8162.7178.4-0.6000106.1
416I44.7Very low40Very low142 Ų142144.2 Ų144.273%0.72882%0.817SS**  trans-139.9107.3175.3-59.5-177000109
417S36.1Very low40.6Very low116 Ų116145.5 Ų145.581%0.81182%0.819SS**  trans-91.8130.3159.3-68.30000110.1
418G38.1Very low41Very low58 Ų58147.9 Ų147.960%0.59882%0.819SS**  trans146141.1160.100000117.8
419L40.2Very low41.3Very low151 Ų151150.3 Ų150.379%0.79182%0.824SS**  trans59.9128.2161.8-66.776.5000116.9
420H43.4Very low41.4Very low171 Ų171145.9 Ų145.979%0.79282%0.817SS**  cis-148148.443.9-85.692.1000114.6
421H41Very low41.9Very low196 Ų196147.3 Ų147.391%0.90781%0.814SS**  trans-73.5138.2154.6-79.4-37.9000111
422R38.7Very low42.3Very low251 Ų251148.9 Ų148.995%0.94781%0.807SS**  trans-148.4133.9144.9-158.9162.1-177.6137.3-0.8112.5
423A41.2Very low42.7Very low83 Ų83150 Ų15069%0.68680%0.802SS**  trans-60.3152.6-168.600000117.3
424M49.2Very low43.3Very low194 Ų194146.9 Ų146.996%0.95680%0.799SS**  -134.3133.2128.9-78.4-67.5176.500107.8
425A40.4Very low43.1Very low88 Ų88142.5 Ų142.573%0.72780%0.797SS**  trans-154154.4178.900000111.7
426R42.6Very low43.4Very low244 Ų244139.7 Ų139.792%0.92180%0.803SS**  trans75.3101.5179.8-58.5-172.7-77.3-166.6-6117.3
427K48Very low43.3Very low198 Ų198136.7 Ų136.786%0.86181%0.807SS**  -137.5150119.1-160.579.6-178-169.20107.7
428L45.3Very low43.5Very low143 Ų143135.4 Ų135.475%0.74981%0.812SS**  trans-113.1-178.2179.6-70.9167.7000110
429D45.6Very low43.5Very low148 Ų148135.7 Ų135.779%0.79182%0.815SS**  trans109.2138.4151.4-50.5-42.8000117.4
430G42.6Very low43.8Very low70 Ų70135 Ų13572%0.72282%0.819SS**  trans83.2104.2-169.400000112.6
431V49.4Very low43.8Very low136 Ų136133.8 Ų133.882%0.82482%0.824SS**  cis65.98818.7-165.30000113.6
432D44.2Very low43.9Very low145 Ų145130 Ų13078%0.77582%0.82SS**  -161.3172.1112.4-143.1-114.9000112.5
433S46.1Very low44Very low103 Ų103123.4 Ų123.472%0.7281%0.812SS**  trans-173.9175.1-175.4-75.10000108.8
434P51.1Low44.1Very low133 Ų133124.8 Ų124.886%0.86482%0.817SS**  cis-123.3-167-12.733.2-12.9000111.7
435G42.3Very low43.7Very low78 Ų78122 Ų12280%0.80481%0.811SS**  trans-171.777.8174.900000118.8
436G40.9Very low44Very low86 Ų86123.8 Ų123.889%0.88782%0.815SS**  trans75.6151.7159.400000118.1
437G42.2Very low43.6Very low79 Ų79121.1 Ų121.181%0.81482%0.815SS**  cis161.5103.8-1100000114.6
438G41.2Very low43.2Very low88 Ų88118.1 Ų118.191%0.90782%0.818SS**  trans72151.9170.600000115.9
439G38.8Very low42.9Very low64 Ų64114.4 Ų114.466%0.6681%0.814SS**  cis172.5131.2-8.600000110.2
440P45.8Very low42.5Very low137 Ų137113 Ų11389%0.8982%0.815SS**  trans-84.2139.6-178.833-33.3000111.8
441T44.3Very low43Very low145 Ų145115 Ų11589%0.8982%0.816SS**  trans-119.2130.3174.249.40000111.4
442S41.3Very low42.5Very low118 Ų118118.6 Ų118.683%0.82581%0.814SS**  trans-110.4130-177.255.20000112.1
443S42.5Very low42.5Very low111 Ų111118.2 Ų118.278%0.77681%0.808SS**  trans-150.9113.6158.848.60000107.9
444S41.7Very low42.3Very low113 Ų113116.7 Ų116.779%0.7980%0.801SS**  90.5116.367.1-68.60000113
445T41.9Very low41.9Very low136 Ų136118.6 Ų118.683%0.83480%0.803SS**  trans-39.2171.1163.426.40000116.4
446P45.3Very low42Very low124 Ų124118.7 Ų118.781%0.80580%0.803SS**  cis-138.5-174.823.341-21.1000117.8
447M35.5Very low41.9Very low188 Ų188119.9 Ų119.993%0.92680%0.798SS**  trans-93.7142.4171.7-84.8-86.8178.500112.7
448C39Very low41.8Very low136 Ų136123.1 Ų123.192%0.91980%0.802SS**  trans-168.1149164.9-165.40000107.9
449G39.4Very low41.8Very low64 Ų64124.2 Ų124.266%0.6679%0.791SS**  cis-165.1174.9-1.700000110.9
450S37.1Very low42.2Very low118 Ų118130.1 Ų130.183%0.82580%0.804SS**  trans-79.3176.7-169.1-45.60000115.2
451P53Low41.9Very low113 Ų113127.5 Ų127.573%0.73480%0.802SS**  -146.114891.940.3-25000117
452R39.7Very low41.9Very low211 Ų211123.7 Ų123.780%0.79679%0.791SS**  42133.6125.3-63.3-173.584.8152.42.2119.1
453E43.4Very low41.9Very low138 Ų138126.6 Ų126.665%0.64580%0.798SS**  cis-160.1174.615.3-79.7-124.3169.900110.5
454A41.3Very low41.9Very low70 Ų70124.5 Ų124.558%0.57979%0.794SS**  cis-176.1177.9-30.900000110.2
455I43.8Very low42.1Very low174 Ų174128.3 Ų128.389%0.89280%0.798SS**  trans66.5123164.3-55.9159.6000118.3
456G44Very low42.3Very low79 Ų79127.2 Ų127.281%0.81479%0.794SS**  trans158.489.4165.400000113.7
457S38.9Very low42.2Very low111 Ų111125.6 Ų125.678%0.77679%0.791SS**  trans-127.6138-169.758.80000114.7
458V40.9Very low42.3Very low147 Ų147123.3 Ų123.389%0.89179%0.787SS**  trans-150.9157.1146.7163.40000108.2
459T41.1Very low42.4Very low112 Ų112124.7 Ų124.769%0.68778%0.783SS**  trans-129.9178.1-16242.30000114.9
460M45.9Very low42.3Very low187 Ų187126.4 Ų126.492%0.92179%0.785SS**  trans76.4142.5178.5-41.1-51.8-171.300114.6
461G41Very low42.3Very low82 Ų82132 Ų13285%0.84579%0.79SS**  cis140.1144.51.900000109.4
462G42.5Very low41.7Very low65 Ų65129.6 Ų129.667%0.6779%0.786SS**  cis-172.2176.4-4.600000109.7
463D43.1Very low41.7Very low180 Ų180126.6 Ų126.696%0.96379%0.791SS**  trans58.7147.1166.4-48.1-41.9000119.9
464G42.2Very low41.4Very low67 Ų67125.4 Ų125.469%0.69180%0.798SS**  cis179149.4-9.500000114.4
465H45.9Very low41.8Very low193 Ų193127.3 Ų127.389%0.89480%0.804SS**  trans57.5143.1159.8-94.6-90.3000124.5
466P46Very low41.7Very low113 Ų113125.2 Ų125.273%0.73480%0.8SS**  trans-117162.6174.541.9-33.3000116.4
467A41.9Very low41.7Very low90 Ų90126.7 Ų126.774%0.74480%0.797SS**  trans-157142.9159.900000109.5
468V37.3Very low42.1Very low139 Ų139129.4 Ų129.484%0.84280%0.803SS**  cis93.9537.3-160.60000117.1
469I41.6Very low42.7Very low165 Ų165128.1 Ų128.185%0.84680%0.797SS**  trans-151.5150166.3-51.3-179.6000108.5
470S37.3Very low43.1Very low100 Ų100128.2 Ų128.270%0.69980%0.8SS**  cis-169.5-163.9-36.1-165.30000109.3
471Y37Very low42.7Very low237 Ų237126.5 Ų126.593%0.92979%0.794SS**  trans-86.6154.7-175.5-57.1-91.5000116.7
472G40.7Very low43Very low62 Ų62131.8 Ų131.864%0.63980%0.799SS**  trans164.595.2163.500000113.5
473T39.9Very low42.7Very low147 Ų147133.9 Ų133.990%0.90280%0.798SS**  81.3126.394.351.70000117.5
474S37.5Very low42.6Very low114 Ų114133.6 Ų133.680%0.79779%0.791SS**  trans-75.8-168.1178.9-30.10000113.6
475P49.5Very low42.3Very low109 Ų109134.9 Ų134.971%0.70879%0.789SS**  cis-140.5-159.20.534.7-9.6000115.3
476T42Very low42Very low131 Ų131136.2 Ų136.280%0.80479%0.788SS**  trans80.2145.6155-54.30000116.3
477S42.7Very low41.5Very low109 Ų109135.4 Ų135.476%0.76279%0.786SS**  cis-144.6167.14.334.90000113.2
478L47.6Very low41.4Very low169 Ų169136.2 Ų136.289%0.88579%0.786SS**  trans-94.1154.1164.4-70.8167.5000112.4
479P54Low41.3Very low119 Ų119139 Ų13977%0.77379%0.787SS**  trans-97.2164.1157.636.8-30.8000112.9
480P48.7Very low41.3Very low115 Ų115134.1 Ų134.175%0.74778%0.778SS**  trans-122.2166.2-15842.4-31.1000117.5
481L39Very low41.4Very low151 Ų151137.4 Ų137.479%0.79178%0.782SS**  trans34.3128145.5-74.8164.5000121.1
482M47.5Very low41.4Very low193 Ų193133.4 Ų133.495%0.95178%0.776SS**  -143.5135.1126.6-136180-169.800111.5
483T36.5Very low41.4Very low109 Ų109136.2 Ų136.267%0.66978%0.783SS**  trans-116.7132.3-175.2-50.30000109.7
484Q40.2Very low41Very low174 Ų174134 Ų13481%0.81377%0.773SS**  trans-138.2147.3155.3-73.4-1563600110.6
485S34.7Very low41Very low93 Ų93139.5 Ų139.565%0.6578%0.778SS**  trans-131.1129.9-177.7134.30000107.9
486Y40.2Very low40.3Very low221 Ų221138 Ų13887%0.86778%0.775SS**  trans-134.4141161.3-93.7-81.2000110.4
487S36.6Very low40.1Very low97 Ų97141.1 Ų141.168%0.67878%0.78SS**  trans-110.2-179.8-171.9-47.70000111.7
488S38.6Very low39.7Very low107 Ų107143.4 Ų143.475%0.74878%0.784SS**  trans93.9114.5152.2-66.30000120.3
489F36.7Very low39.5Very low196 Ų196139.9 Ų139.986%0.8677%0.771SS**  108.3127.8122.3-108.9-92.4000121.2
490G40.1Very low38.6Very low64 Ų64143.8 Ų143.866%0.6678%0.776SS**  trans91.4139160.900000116.8
491Q40.3Very low38.1Very low168 Ų168141.1 Ų141.179%0.78577%0.77SS**  cis-160.6152.1-19.7-158.884-7.900107.6
492L35.9Very low38.3Very low154 Ų154140.1 Ų140.181%0.80677%0.772SS**  trans-84.6160.9178.8-60.3171.9000112
493P40.5Very low38Very low121 Ų121139.1 Ų139.179%0.78677%0.77SS**  -128.6142.175.137.3-26.2000112.7
494S32.7Very low38.1Very low99 Ų99138.4 Ų138.469%0.69277%0.769SS**  6790.355.8-160.90000114.2
495Y37.4Very low38.1Very low230 Ų230139.1 Ų139.190%0.90277%0.77SS**  trans-139.1137.3148.7-141.4-90.3000107.7
496A35.1Very low38.5Very low78 Ų78138.4 Ų138.465%0.64577%0.765SS**  trans-112.2144.5-169.400000111.9
497Q37.1Very low38.7Very low197 Ų197134 Ų13492%0.92175%0.752SS**  trans-159.3142.3146.4-112.7160.3-0.900110.7
498D35.2Very low39.3Very low157 Ų157134.8 Ų134.884%0.8476%0.755SS**  trans-87.3164.6-165.3-94.5-59.7000114.5
499P43.7Very low39.6Very low94 Ų94138.3 Ų138.361%0.6176%0.757SS**  trans-85.7-166.7-174.736.2-36.9000113.9
500F34.5Very low39.5Very low201 Ų201132 Ų13288%0.88274%0.737SS**  trans82.765.6179.9-56.1-77.3000117.3
501G38.7Very low39.7Very low59 Ų59136.3 Ų136.361%0.60874%0.744SS**  trans-95.6141.6149.800000111L503G501-L503 PolarHBondContact O-N 3.03Å; G501-L503 VanDerWaalsContact O-N 3.17Å
502P42.9Very low40.1Very low130 Ų130134 Ų13484%0.84474%0.741SS**  trans-71.2110.6176.228.7-32.9000110.2S504P502-S504 PolarHBondContact O-N 2.83Å
503L39.5Very low40.1Very low172 Ų172132.8 Ų132.890%0.90174%0.736SS**  trans-71.376.7172.4-66.3-179.6000110.6G501 F505G501-L503 PolarHBondContact O-N 3.03Å; G501-L503 VanDerWaalsContact O-N 3.17Å; L503-F505 PolarHBondContact O-N 2.9Å
504S38.7Very low40.3Very low94 Ų94134.6 Ų134.666%0.65774%0.738SS**  trans-59.6103.91651760000108.3P502 S506P502-S504 PolarHBondContact O-N 2.83Å; S504-S506 PolarHBondContact O-N 2.87Å; S504-S506 PolarHBondContact O-OG 3.35Å; S504-S506 PolarHBondContact OG-OG 3.37Å
505F40.8Very low41Very low189 Ų189137.6 Ų137.683%0.82974%0.744SS**  trans-7571.7179-154.1-88.8000109.8L503 H507L503-F505 PolarHBondContact O-N 2.9Å; F505-H507 PolarHBondContact O-N 3.16Å
506S42.5Very low40.9Very low78 Ų78133.6 Ų133.655%0.54574%0.738SS.*  trans-63.997.4-178.5-64.70000109.8S504S504-S506 PolarHBondContact O-N 2.87Å; S504-S506 PolarHBondContact O-OG 3.35Å; S504-S506 PolarHBondContact OG-OG 3.37Å
507H45Very low41.2Very low129 Ų129134.9 Ų134.960%0.59774%0.743SS**  trans-51.3142174.6-98.3-92.6000110.6F505 F509 S510F505-H507 PolarHBondContact O-N 3.16Å; H507-F509 PolarHBondContact O-N 3.39Å; H507-S510 PolarHBondContact O-N 2.98Å; H507-S510 VanDerWaalsContact O-N 3.13Å
508P49.6Very low41.2Very low114 Ų114132.1 Ų132.174%0.7474%0.74SS**THydrogen-bonded Turntrans-7020.8-178.530.1-36.9000114.6
509F44.5Very low41.4Very low181 Ų181134.3 Ų134.379%0.79474%0.742SS**THydrogen-bonded Turntrans-138.517.9179.1-62.3-72.8000112.4H507 I511H507-F509 PolarHBondContact O-N 3.39Å; F509-I511 PolarHBondContact O-N 3.24Å
510S35.7Very low41Very low63 Ų63134 Ų13444%0.44175%0.747SS.*  trans-74.8123.9172.9-1660000110.7H507 T512H507-S510 PolarHBondContact O-N 2.98Å; H507-S510 VanDerWaalsContact O-N 3.13Å; S510-T512 PolarHBondContact O-N 2.92Å; S510-T512 VanDerWaalsContact O-N 3.12Å
511I43.4Very low41.4Very low155 Ų155131.4 Ų131.480%0.79575%0.747SS**G310 helixtrans-66.9-15.8-169.6-64.1171.6000112.7F509 N513F509-I511 PolarHBondContact O-N 3.24Å; I511-N513 VanDerWaalsContact C-N 3.33Å; I511-N513 PolarHBondContact O-N 3.31Å
512T48.3Very low41.2Very low120 Ų120134.5 Ų134.574%0.73675%0.75SS**G310 helixtrans-74-12.3-173.8-28.60000115.4S510S510-T512 PolarHBondContact O-N 2.92Å; S510-T512 VanDerWaalsContact O-N 3.12Å
513N37.1Very low40.8Very low128 Ų128134.5 Ų134.568%0.68474%0.743SS**G310 helixtrans-101.618.5-175.4-74.6-22.8000114.4I511I511-N513 VanDerWaalsContact C-N 3.33Å; I511-N513 PolarHBondContact O-N 3.31Å
514L43.7Very low40.7Very low159 Ų159137.8 Ų137.883%0.83275%0.745SS**SBendtrans-90.810.5-175.2-139.482.4000114.9
515I46.7Very low40.4Very low161 Ų161139.6 Ų139.683%0.82675%0.747SS**SBendtrans-136.343.5-169.5-35.4-179.5000112.7
516D36Very low39.8Very low146 Ų146139.2 Ų139.278%0.78175%0.753SS**  trans-159.3-178.7153.8-148.8-24.4000110.3
517S41.2Very low39.2Very low105 Ų105140 Ų14073%0.73476%0.758SS**  trans77.242175.6-54.20000116.9K519S517-K519 PolarHBondContact O-N 3.12Å
518T36.6Very low38.6Very low139 Ų139138.3 Ų138.385%0.85376%0.76SS**  trans-73.476.7152.754.80000110.7
519K40.9Very low38Very low203 Ų203143.8 Ų143.888%0.88377%0.768SS**  trans-160.6143.5167.5-107.4146.7-171.9173.30111.7S517S517-K519 PolarHBondContact O-N 3.12Å
520A34Very low37.6Very low87 Ų87138.7 Ų138.772%0.71977%0.766SS**  trans-89.4150.6-175.600000112.9
521V42.8Very low37.6Very low147 Ų147143.7 Ų143.789%0.89179%0.788SS**  trans-133.5137.4156.4-176.30000106.3
522N36.1Very low37.4Very low124 Ų124139.8 Ų139.866%0.66379%0.785SS**  trans-97.9-176.8-167.9-66.2-23.7000113.1
523D34.6Very low36.8Very low131 Ų131140 Ų14070%0.70179%0.787SS**  trans71.990.2150.4-55.6-44.4000118.8
524Y37.3Very low36.9Very low241 Ų241139.1 Ų139.195%0.94579%0.791SS**  -143.390.9128.1-82-59.4000112.4
525N30.8Very low36.6Very low131 Ų131139.2 Ų139.270%0.70179%0.787SS**  trans41112.6148.3-159.2-15.6000120.1S527N525-S527 PolarHBondContact OD1-N 3.32Å; N525-S527 PolarHBondContact OD1-OG 3.36Å
526L29.9Very low36.2Very low182 Ų182139 Ų13995%0.95379%0.786SS**  trans-137.194154.9-167.672.8000111.1
527S30.1Very low36.3Very low93 Ų93137.2 Ų137.265%0.6579%0.786SS**  trans-156.4155.6172.766.40000108N525N525-S527 PolarHBondContact OD1-N 3.32Å; N525-S527 PolarHBondContact OD1-OG 3.36Å
528C31.8Very low35.9Very low95 Ų95143.4 Ų143.464%0.64280%0.795SS**  cis-156.9-179.113.638.80000110.9
529Y36.6Very low35.9Very low229 Ų229140.4 Ų140.490%0.89879%0.791SS**  trans68.3140.1-178.1-54-89.6000115
530G35.4Very low35.8Very low74 Ų74136 Ų13676%0.76379%0.786SS**  cis165.6166.6-3.900000109.1
531N36.3Very low36.1Very low168 Ų168139.5 Ų139.590%0.89879%0.792SS**  cis-163.3157.8-10.3-178.925.9000108.6
532G38.8Very low35.9Very low72 Ų72137.7 Ų137.774%0.74279%0.786SS**  trans166.7108.8174.700000116
533T36.9Very low36.6Very low125 Ų125137.6 Ų137.677%0.76779%0.792SS**  trans-88.2141.6-178.348.50000113.2
534S38.6Very low36.7Very low110 Ų110139.1 Ų139.177%0.76980%0.797SS**  -176.5126.794.9-680000108.3
535Q37Very low36.9Very low161 Ų161135.2 Ų135.275%0.75279%0.789SS**  99.7140.657.9-96-69.813.800113.7
536L38.9Very low37.5Very low155 Ų155133.2 Ų133.281%0.81279%0.785SS**  trans68138.2177.6-50.7-179.2000116.8
537S36.9Very low38.2Very low110 Ų110132.1 Ų132.177%0.76978%0.775SS**  cis-154163.6-9.9-165.20000111.8
538Y33.2Very low38.8Very low235 Ų235135.5 Ų135.592%0.92279%0.785SS**  trans-98.8157.7178.1-94.5-105.3000112.9
539G38Very low39.3Very low75 Ų75134.2 Ų134.277%0.77379%0.788SS**  trans164.6128.3155.300000119.6
540S38.3Very low39.7Very low111 Ų111131.6 Ų131.678%0.77678%0.784SS**  trans74.186.3148.8-161.70000123
541L39.7Very low39.9Very low160 Ų160136.7 Ų136.784%0.83879%0.788SS**  46.3139.3111.2-79.2156.8000124.1
542S38.4Very low39.9Very low109 Ų109133 Ų13376%0.76278%0.781SS**  trans106150.6140.2-69.60000121.2
543P51.9Low40.1Very low123 Ų123134 Ų13480%0.79978%0.782SS**  trans-140.3-164.4-145.244.1-24.1000117.2
544M36.7Very low40.1Very low162 Ų162137.5 Ų137.580%0.79879%0.792SS**  trans113.2152147.7-155-179.5176.100118.6
545M41.2Very low40.2Very low160 Ų160135.9 Ų135.979%0.78879%0.793SS**  trans75.5147.8171.6-60.3-162.7-177.100116.3
546S43.8Very low40.4Very low89 Ų89136.5 Ų136.562%0.62280%0.801SS**  cis-171.1161.9-10.6-93.70000107.6
547Q43.9Very low40.3Very low159 Ų159132.5 Ų132.574%0.74380%0.798SS**  cis-158.9145.1-8.2-116.2-17256.900109
548L42Very low40.4Very low164 Ų164135.4 Ų135.486%0.85980%0.803SS**  75124.2107.3-155.786.9000118.2
549G42.2Very low40.6Very low68 Ų68129.5 Ų129.570%0.70180%0.796SS**  trans173.457.5172.900000120.2
550Q44.8Very low40.7Very low173 Ų173136.2 Ų136.281%0.80880%0.8SS**  trans57.9119.2151.5-67.6170.79.400119.6
551Q39.7Very low40.6Very low181 Ų181141.8 Ų141.885%0.84681%0.805SS**  70139.480-73.5176.2-2100114.8
552A37.8Very low40.4Very low92 Ų92141.8 Ų141.876%0.7680%0.8SS**  cis-165-173-7.600000111
553A41.5Very low40.4Very low92 Ų92141.4 Ų141.476%0.7679%0.794SS**  trans69.7128.2-178.400000114.8
554M36.6Very low39.5Very low198 Ų198142.8 Ų142.898%0.97579%0.793SS**  cis70.8108.136.8-59.5-175.2166.200114.2
555G41.5Very low39.4Very low76 Ų76144.8 Ų144.878%0.78479%0.794SS**  trans172.6119.4174.300000110.4
556D40.4Very low39.2Very low174 Ų174141.5 Ų141.593%0.9379%0.786SS**  trans-73.5160.6-177.7-57.2-88.3000113.2
557G38.8Very low38.6Very low72 Ų72142.6 Ų142.674%0.74279%0.794SS**  trans150.966.3167.300000116.2S559G557-S559 PolarHBondContact O-N 3.19Å
558I37.5Very low38.5Very low170 Ų170140.8 Ų140.887%0.87280%0.799SS**  trans-68.5114.6161.9-61.9173.6000107.7
559S38.2Very low38.4Very low111 Ų111139.9 Ų139.978%0.77680%0.795SS**  trans-125.1140.4168.5-163.60000110G557G557-S559 PolarHBondContact O-N 3.19Å
560Y40Very low38.3Very low217 Ų217142.8 Ų142.885%0.85180%0.801SS**  trans-72.4144.8-168.7-98.9-113.1000112.8H562Y560-H562 PolarHBondContact O-N 3.41Å; Y560-H562 VanDerWaalsContact O-N 3.13Å
561Y36Very low38.2Very low227 Ų227137.8 Ų137.889%0.8980%0.796SS**  trans-63.6110.7167-92.8-101000110.4
562H34.6Very low38.2Very low160 Ų160135 Ų13574%0.74180%0.796SS**  trans-140.963.7160.9-166.8-73.1000110.7Y560Y560-H562 PolarHBondContact O-N 3.41Å; Y560-H562 VanDerWaalsContact O-N 3.13Å
563T38.9Very low38.3Very low101 Ų101135.8 Ų135.862%0.6280%0.803SS**  trans-117.7107.1175.8-44.30000110Y565T563-Y565 HydrophobicContact CG2-CD2 3.69Å; T563-Y565 HydrophobicContact CG2-CE2 3.71Å; T563-Y565 PolarHBondContact O-N 3.41Å
564L33.4Very low38.5Very low152 Ų152135.1 Ų135.180%0.79680%0.798SS**  trans-67.2110.5165.3-65.3166.5000108.1
565Y35.3Very low38.8Very low205 Ų205133.2 Ų133.280%0.80479%0.791SS**  trans-100.8100.9161.3-100.1-96.5000107.3T563T563-Y565 HydrophobicContact CG2-CD2 3.69Å; T563-Y565 HydrophobicContact CG2-CE2 3.71Å; T563-Y565 PolarHBondContact O-N 3.41Å
566S35.5Very low38.7Very low90 Ų90141.4 Ų141.463%0.62982%0.816SS**  75.5103.880.9-740000112.2
567S33.1Very low38.6Very low113 Ų113139.8 Ų139.879%0.7981%0.81SS**  trans-42.5138.3167.4176.40000112.7
568S41Very low38.6Very low120 Ų120143.3 Ų143.384%0.83981%0.814SS**  trans-142.582.4163.2-700000109
569N40.8Very low38.7Very low146 Ų146141.8 Ų141.878%0.78181%0.811SS**  trans-141.194.7168.5-163.217.3000110.1G571N569-G571 PolarHBondContact O-N 3.46Å
570P39.9Very low38.7Very low128 Ų128143.6 Ų143.683%0.83181%0.813SS**  trans-86.2108.8-175.732.3-31.5000111.3
571G41.4Very low38.6Very low68 Ų68139.1 Ų139.170%0.70181%0.81SS**  trans-175.1134.3174.100000115.2N569N569-G571 PolarHBondContact O-N 3.46Å
572S40.5Very low38.8Very low122 Ų122133.2 Ų133.285%0.85381%0.805SS**  trans61.578.8165.2-164.80000117.8
573A40.1Very low39.1Very low109 Ų109131.3 Ų131.390%0.90181%0.81SS**  trans-89.9112155.400000110.2
574A44.3Very low39.1Very low78 Ų78133.6 Ų133.665%0.64582%0.824SS**  trans-166136.5164.400000111
575N43Very low39.6Very low158 Ų158132.1 Ų132.185%0.84583%0.826SS**  trans55.285.2167.7-56.3-46.9000117.9
576L40.6Very low40Very low248 Ų248125.5 Ų125.5100%1.29883%0.829SS**  -167.40102.7-100.2162.2000111.3

Retrieved 576 of 576 residues in 95.1 ms (Link to these results)