A0A087YJE1_POEFO Loading...

T-box transcription factor 15

AlphaFold DB , UniProt , Accession A0A087YJE1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 614 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M34.8Very low40.3Very low234 Ų234157.6 Ų157.6100%1.15384%0.842SS**  0105.20-57.4-175.1-165.600106
2S37.7Very low40.5Very low102 Ų102152 Ų15271%0.71382%0.824SS**  65.6128.277.563.10000112.2
3E37.9Very low41Very low143 Ų143150 Ų15067%0.66883%0.829SS**  cis-161.31634.8-127.3-175122.200113.5
4R43.9Very low41.8Very low206 Ų206155.3 Ų155.378%0.77783%0.83SS**  trans49.5123.9155.8-61.9177.3-164.7-170.37.5120.6
5R44.6Very low42.4Very low228 Ų228150.3 Ų150.386%0.8682%0.819SS**  -165.5144104.7-106165.7-174.3-161.81114
6R40.2Very low42.8Very low231 Ų231150.8 Ų150.887%0.87281%0.813SS**  trans62.485.2163.6-61.7179.5-179.2172.10.2117.8
7S36Very low43.2Very low123 Ų123145.6 Ų145.686%0.8680%0.797SS**PPolyproline II helixtrans-74.3144.1156-44.40000110.8
8A41.5Very low43.8Very low98 Ų98148 Ų14881%0.8180%0.798SS**PPolyproline II helixtrans-74.4152.6164.100000110.6A10A8-A10 PolarHBondContact O-N 3.23Å
9A40.1Very low43.9Very low98 Ų98143.1 Ų143.181%0.8178%0.776SS**PPolyproline II helixtrans-73.3119.5179.100000111L11A9-L11 PolarHBondContact O-N 3.47Å
10A46.2Very low44.1Very low105 Ų105141.3 Ų141.387%0.86877%0.77SS**PPolyproline II helixtrans-72.7117174.800000110.4A8A8-A10 PolarHBondContact O-N 3.23Å
11L40.4Very low44.5Very low166 Ų166143.2 Ų143.287%0.86977%0.774SS**PPolyproline II helixtrans-76.3146.3171.3-71.3172.4000110.6A9A9-L11 PolarHBondContact O-N 3.47Å
12S43.3Very low45.4Very low90 Ų90135.4 Ų135.463%0.62975%0.746SS**PPolyproline II helixtrans-62.2144.6-172.3-176.70000113R14S12-R14 PolarHBondContact O-N 2.71Å
13S46.3Very low46Very low126 Ų126137.5 Ų137.588%0.88175%0.749SS**THydrogen-bonded Turntrans-62.48.5178.549.20000115.7
14R52Low47Very low224 Ų224136.7 Ų136.785%0.84575%0.748SS**THydrogen-bonded Turntrans-88.4-3.8-179.8-154.4168.9-173.7155.82.6114.1S12S12-R14 PolarHBondContact O-N 2.71Å
15A51.4Low46.9Very low81 Ų81129.9 Ų129.967%0.66974%0.742SS**SBendtrans-86.9-16.1-169.400000116.3
16H48.7Very low46.8Very low157 Ų157124.1 Ų124.173%0.72774%0.737SS**  trans-87.6-1.8-173.7-92.4-74000115.9F18H16-F18 PolarHBondContact O-N 3.06Å; H16-F18 VanDerWaalsContact O-N 3.08Å
17A49.4Very low47.1Very low64 Ų64121.4 Ų121.453%0.52974%0.739SS.*THydrogen-bonded Turntrans-744.1-172.400000115.8
18F54Low47.2Very low188 Ų188124.7 Ų124.783%0.82574%0.738SS**THydrogen-bonded Turntrans-132.819.2-173.7-64.8-73.4000114.5H16H16-F18 PolarHBondContact O-N 3.06Å; H16-F18 VanDerWaalsContact O-N 3.08Å
19S46.8Very low47.3Very low54 Ų54130.1 Ų130.138%0.37874%0.743SS.*  trans-78.9140167.1-60.70000110.7E21 A22S19-E21 VanDerWaalsContact C-N 3.26Å; S19-E21 PolarHBondContact O-N 3.29Å; S19-A22 WeakPolarHBondContact O-CB 3.24Å; S19-A22 PolarHBondContact O-N 2.93Å
20V46.3Very low46.9Very low108 Ų108137.4 Ų137.466%0.65575%0.75SS**G310 helixtrans-59.9-34-175.2179.40000112.7A22 L23 I24V20-A22 PolarHBondContact O-N 3.15Å; V20-L23 PolarHBondContact O-N 3.19Å; V20-I24 HydrophobicContact CG1-CD1 3.9Å; V20-I24 HydrophobicContact CG1-CG1 4.4Å; V20-I24 PolarHBondContact O-N 3.14Å
21E52.4Low46.2Very low181 Ų181141.2 Ų141.285%0.84675%0.747SS**G310 helixtrans-61.5-20174.5-65.3-178.2112.600113.9S19S19-E21 VanDerWaalsContact C-N 3.26Å; S19-E21 PolarHBondContact O-N 3.29Å
22A54.2Low45.6Very low70 Ų70140 Ų14058%0.57974%0.741SS**G310 helixtrans-82.8-17.6175.800000113.4S19 V20S19-A22 WeakPolarHBondContact O-CB 3.24Å; S19-A22 PolarHBondContact O-N 2.93Å; V20-A22 PolarHBondContact O-N 3.15Å
23L50.3Low44.9Very low146 Ų146146.8 Ų146.876%0.76475%0.752SS**THydrogen-bonded Turntrans-95.7-26.7175.8-110.188.2000113.3V20 G25V20-L23 PolarHBondContact O-N 3.19Å; L23-G25 PolarHBondContact O-N 3.4Å
24I58.3Low43.9Very low126 Ų126144.1 Ų144.165%0.64675%0.745SS**SBendtrans-96.684.3179.7-53.9-179.4000109V20 S26V20-I24 HydrophobicContact CG1-CD1 3.9Å; V20-I24 HydrophobicContact CG1-CG1 4.4Å; V20-I24 PolarHBondContact O-N 3.14Å; I24-S26 PolarHBondContact O-N 2.95Å
25G42.9Very low42.7Very low64 Ų64146.3 Ų146.366%0.6675%0.753SS**  trans-54.2129.1179.100000112.6L23 N27L23-G25 PolarHBondContact O-N 3.4Å; G25-N27 PolarHBondContact O-N 3.18Å
26S42.5Very low41.7Very low107 Ų107151.1 Ų151.175%0.74876%0.762SS**  trans-73.3118.5-172.249.10000112.8I24 K28I24-S26 PolarHBondContact O-N 2.95Å; S26-K28 PolarHBondContact O-N 3.16Å
27N46Very low40.8Very low173 Ų173152.3 Ų152.393%0.92577%0.768SS**  trans-68.982.2-178-98.9-49.1000113G25 K29G25-N27 PolarHBondContact O-N 3.18Å; N27-K29 PolarHBondContact O-N 2.84Å
28K39.3Very low39.8Very low192 Ų192158.2 Ų158.284%0.83578%0.781SS**  trans-88.599170.3-85.5-175.7175.9175.10111.9S26 R30S26-K28 PolarHBondContact O-N 3.16Å; K28-R30 PolarHBondContact O-N 3.42Å
29K43.3Very low38.5Very low213 Ų213156.9 Ų156.993%0.92678%0.778SS**  trans-39.6129.5161.5-93174.2172.2169.30111.4N27N27-K29 PolarHBondContact O-N 2.84Å
30R31.2Very low37.8Very low250 Ų250162.3 Ų162.394%0.94380%0.802SS**  trans-135.6140.8152.2-158177.2-63.3-177.43.2108K28K28-R30 PolarHBondContact O-N 3.42Å
31K30.4Very low36.8Very low186 Ų186165.7 Ų165.781%0.80981%0.81SS**  trans-131.6131-164.2-165.9-162.7178.6-173.40110.8
32L28.2Very low35.7Very low140 Ų140164.1 Ų164.173%0.73381%0.807SS**  trans71.5157.2159.3-135.274.8000119.6
33R28Very low34.4Very low232 Ų232165.7 Ų165.788%0.87581%0.814SS**  trans70.5115.8174-51.7-166.8-166.3-81.45.8115.5
34G26.2Very low33.4Very low70 Ų70165.9 Ų165.972%0.72281%0.813SS**  cis140.5135.3-17.400000114.2
35W27.3Very low31.9Very low270 Ų270167.3 Ų167.3100%1.02382%0.816SS**  trans-136.4150.2153.9-88.6-24.5000107.6
36E29.2Very low31.2Very low183 Ų183169.2 Ų169.286%0.85582%0.82SS**  trans-139.9173.1-171.7-166.7168.8172.900107.7
37E30.1Very low30.7Very low182 Ų182172.2 Ų172.285%0.8583%0.827SS**  trans76.9140.3179.9-52.4-167.7124.200117.6
38K28.5Very low29.9Very low187 Ų187167.9 Ų167.981%0.81382%0.815SS**  trans66.4121.4-180-57.2-164173-156.60116.7
39E26.7Very low29.4Very low160 Ų160164.3 Ų164.375%0.74881%0.809SS**  cis-157.8135.3-6.4-143.115910400109.1
40L32.7Very low28.7Very low169 Ų169161.4 Ų161.489%0.88580%0.804SS**  trans-151.5153.5172.9-82.1-178000108.6
41E25.8Very low28.6Very low178 Ų178152.3 Ų152.383%0.83279%0.788SS**  trans64135.8-173.9-87.6176-151.300112.3
42L28.7Very low28.6Very low149 Ų149153.4 Ų153.478%0.7880%0.796SS**  cis-159.5177.226.5-100.9142.6000107.6
43S27Very low28.8Very low103 Ų103153.7 Ų153.772%0.7280%0.798SS**  cis-154.3174.8-8.3-1730000108.4
44M28.9Very low29.8Very low150 Ų150148 Ų14874%0.73979%0.791SS**  trans-82.8157.5156.6-170.5159.663.500111.5
45E27.5Very low30.2Very low155 Ų155148.3 Ų148.372%0.72479%0.787SS**  trans79.3139.9159.3-127.684115.100123.2
46S28.2Very low30.5Very low105 Ų105144.1 Ų144.173%0.73478%0.778SS**  trans69.1148.9159720000119.2
47L30.8Very low30.4Very low170 Ų170139.8 Ų139.889%0.8977%0.767SS**  cis-169.9156.2-15.7-99.5169.4000104.2
48A30.5Very low30.8Very low82 Ų82138.9 Ų138.968%0.67877%0.767SS**  cis-160.2-170.9-8.800000105.8
49T28.8Very low30.8Very low116 Ų116137.2 Ų137.271%0.71277%0.767SS**  cis-131.1-158.42.355.80000107.9
50D28.9Very low31.1Very low153 Ų153136.6 Ų136.682%0.81877%0.766SS**  cis-152.4170.6-2.2-105.2-48.9000106
51G29.2Very low31.1Very low58 Ų58134.9 Ų134.960%0.59876%0.758SS**  cis-179.9178.3-1.500000110.3
52E29.7Very low32.2Very low209 Ų209131.7 Ų131.798%0.97775%0.752SS**  trans72.1115.6176-53.7-163.8124.400119.3
53D32.8Very low32.2Very low147 Ų147131.1 Ų131.179%0.78675%0.75SS**  trans-149.7167.5172.8-163.948.5000104.1
54P49.1Very low32.6Very low111 Ų111131 Ų13172%0.72175%0.749SS**  cis-142.6-160.129.543.9-19.4000113.2
55A33.2Very low32.9Very low78 Ų78132.5 Ų132.565%0.64576%0.755SS**  cis-155.8139.75.300000113
56H33.8Very low33.2Very low181 Ų181128.4 Ų128.484%0.83875%0.747SS**  50.9-176.9123.2-92.7-83.8000123.4
57C28.1Very low33.8Very low92 Ų92129 Ų12962%0.62275%0.751SS**  trans-155.5157.6-140.461.90000115.6
58L37.1Very low34.8Very low164 Ų164127.1 Ų127.186%0.85975%0.749SS**  trans58.1125.9161-57.6174.5000118.7
59D28.4Very low34.8Very low151 Ų151126.5 Ų126.581%0.80775%0.751SS**  -171.3-161.1103.4-139.6-87.3000112.1
60M33Very low35.1Very low147 Ų147126 Ų12672%0.72475%0.752SS**  trans-81.1171.6-160.2-64.5-110.764.700119.7
61D34.6Very low35.5Very low134 Ų134126.1 Ų126.172%0.71775%0.753SS**  trans-32.4164.3163.6-69.7-91.3000118.3
62P48.7Very low35.8Very low110 Ų110127.1 Ų127.171%0.71476%0.763SS**  cis-150.3-179.23144.4-23.5000120.3
63D28.1Very low36.1Very low138 Ų138127.2 Ų127.274%0.73876%0.763SS**  trans71.5113141.8-98.3-51.5000125.2
64S34.9Very low36.1Very low99 Ų99124 Ų12469%0.69277%0.765SS**  73.9161.6124.4-71.70000125.1
65E34.7Very low35.4Very low183 Ų183127.1 Ų127.186%0.85578%0.775SS**  trans72.1139.5173.9-59-68.978.200119.1
66A35.1Very low35.5Very low69 Ų69127.5 Ų127.557%0.5778%0.778SS**  cis-167.5143.8-18.100000113.3
67S40.1Very low35.4Very low116 Ų116126.2 Ų126.281%0.81177%0.772SS**  trans58.9172.3147.4-61.70000121.5
68P52.9Low35.9Very low132 Ų132131.4 Ų131.486%0.85778%0.779SS**  cis-118.8175.2-22.127.6-7.8000112.7
69G29.4Very low35.8Very low68 Ų68129.8 Ų129.870%0.70178%0.776SS**  cis157.3173.7-3.100000111.8
70S35.9Very low36.1Very low107 Ų107127.6 Ų127.675%0.74877%0.772SS**  trans69.7141.9168.2-170.80000118.4
71D36.3Very low36.2Very low155 Ų155125.9 Ų125.983%0.82977%0.774SS**  cis-165.5162.5-25.4-89.1-41.7000108.6
72G35.2Very low36.3Very low78 Ų78125.9 Ų125.980%0.80478%0.784SS**  trans143.2110159.700000117.1
73E37.1Very low35.8Very low211 Ų211130.9 Ų130.999%0.98680%0.795SS**  trans-92.3161.3174.2-61.4-168.3114.200113.6
74G32.3Very low36Very low81 Ų81127.6 Ų127.684%0.83579%0.794SS**  trans-169119.3169.100000112.4
75L34.5Very low36.4Very low175 Ų175128.2 Ų128.292%0.91680%0.798SS**  trans-112.4147.9-171.2-160.283.3000112.5
76A34.9Very low37.2Very low87 Ų87125.6 Ų125.672%0.71980%0.797SS**  trans69.4168.616600000115.9
77E32.7Very low37.8Very low153 Ų153126.5 Ų126.572%0.71581%0.805SS**  cis-150.8141.96.2-154.6-169.9119.700112.8
78R38.5Very low37.9Very low201 Ų201127.7 Ų127.776%0.75880%0.802SS**  trans30.7163.9147.7-66159.9128.8-111-0.2123.3
79T34.1Very low37.4Very low131 Ų131128.5 Ų128.580%0.80480%0.799SS**  trans83.1135.6154.5-28.70000114.5
80S35Very low38.1Very low104 Ų104129.5 Ų129.573%0.72780%0.8SS**  cis-156.3175.5-18.7-173.20000109.3
81C35.3Very low38.5Very low112 Ų112130.5 Ų130.576%0.75780%0.804SS**  trans-65.6154.9177.657.90000114.6
82S35.8Very low38.6Very low133 Ų133126.5 Ų126.593%0.9380%0.799SS**  trans-151.7153.8151.6-85.70000112
83F38.1Very low39Very low215 Ų215127.6 Ų127.694%0.94380%0.801SS**  trans-86.9142.7-163.5175.5-88.9000112.6
84G33.2Very low39.1Very low69 Ų69122.8 Ų122.871%0.71179%0.789SS**  trans171.681.8174.200000116.2
85S44.3Very low39.5Very low113 Ų113126.7 Ų126.779%0.7979%0.791SS**  trans-78.8152.9154.9-54.40000109.5
86P50.8Low40Very low127 Ų127122.1 Ų122.183%0.82578%0.779SS**  -128.61749437.8-31.9000113.7
87A47.6Very low40.7Very low89 Ų89122.6 Ų122.674%0.73678%0.777SS**  trans-61158.9162.500000109.8
88D41.2Very low41.3Very low141 Ų141121.1 Ų121.175%0.75478%0.78SS**  -164.7178.257.4-162.41.6000112.2
89L43.4Very low41.8Very low149 Ų149116.4 Ų116.478%0.7878%0.778SS**  trans64.986.1164.5-52.1-178.5000118
90A43.2Very low42.9Very low88 Ų88110.9 Ų110.973%0.72775%0.746SS**  162.2117.8111.100000112.2G92A90-G92 PolarHBondContact O-N 3.1Å
91P45Very low44.5Very low129 Ų129108.5 Ų108.584%0.83873%0.729SS**PPolyproline II helixtrans-68.8117.5153.330-29.2000107.5A93P91-A93 PolarHBondContact O-N 3.37Å
92G39.2Very low46.6Very low71 Ų71104.2 Ų104.273%0.73270%0.698SS**PPolyproline II helixtrans-54.3134.1175.500000110.2A90 C94A90-G92 PolarHBondContact O-N 3.1Å; G92-C94 PolarHBondContact O-N 3.31Å; G92-C94 VanDerWaalsContact O-N 3.1Å
93A42Very low48.5Very low101 Ų101105.9 Ų105.984%0.83569%0.691SS**PPolyproline II helixtrans-55121-176.800000109.8P91 D95P91-A93 PolarHBondContact O-N 3.37Å; A93-D95 PolarHBondContact O-N 3.46Å
94C39.6Very low50.9Low110 Ų110101.3 Ų101.374%0.74367%0.673SS**PPolyproline II helixtrans-57.5134.9160.143.90000107.6G92 A96G92-C94 PolarHBondContact O-N 3.31Å; G92-C94 VanDerWaalsContact O-N 3.1Å; C94-A96 PolarHBondContact O-N 3.34Å
95D41Very low53.9Low162 Ų16298.2 Ų98.287%0.86664%0.64SS**  trans-60.1104.1176.4-174.524.6000108A93 S97A93-D95 PolarHBondContact O-N 3.46Å; D95-S97 VanDerWaalsContact C-N 3.32Å; D95-S97 PolarHBondContact O-N 2.94Å
96A44.2Very low56.4Low80 Ų8099.3 Ų99.366%0.66163%0.633SS**  trans-76.492.1-17300000107.3C94 P98C94-A96 PolarHBondContact O-N 3.34Å; A96-P98 VanDerWaalsContact O-N 3.09Å
97S49.9Very low58.6Low97 Ų9794 Ų9468%0.67860%0.598SS**  trans-33.1117.3172.656.50000109.4D95 S99D95-S97 VanDerWaalsContact C-N 3.32Å; D95-S97 PolarHBondContact O-N 2.94Å; S97-S99 PolarHBondContact O-N 2.91Å
98P45.5Very low61Low121 Ų12194.7 Ų94.779%0.78659%0.586SS**  trans-55.7115.3-164.919.8-32.4000108.9A96 A100A96-P98 VanDerWaalsContact O-N 3.09Å; P98-A100 VanDerWaalsContact C-N 3.33Å; P98-A100 PolarHBondContact O-N 3.18Å
99S48.7Very low63.7Low102 Ų10288.4 Ų88.471%0.71355%0.552SS**  trans-66.594.7-175.543.50000108.1S97 S101S97-S99 PolarHBondContact O-N 2.91Å; S99-S101 PolarHBondContact O-N 2.86Å
100A57.7Low66.3Low15 Ų1583.5 Ų83.512%0.12453%0.525CS..  trans-48107.8-158.600000110.7P98 D146P98-A100 VanDerWaalsContact C-N 3.33Å; P98-A100 PolarHBondContact O-N 3.18Å; A100-D146 HydrophobicContact CB-CB 4.12Å
101S69.3Low68.8Low54 Ų5483.5 Ų83.538%0.37852%0.519SS..  trans-66.7147.9-17275.50000108.1S99 E103 E104S99-S101 PolarHBondContact O-N 2.86Å; S101-E103 PolarHBondContact O-N 2.96Å; S101-E103 WeakPolarHBondContact OG-CB 3.35Å; S101-E104 PolarHBondContact O-N 3.35Å
102M79.6Confident71.2Confident22 Ų2278.3 Ų78.311%0.10849%0.487CS..THydrogen-bonded Turntrans-58.3-22178.5-66.6-71-70.500111.1E104 I105 Y151 R240 E257 G258 K260M102-E104 PolarHBondContact O-N 3.02Å; M102-I105 HydrophobicContact CB-CD1 4.32Å; M102-I105 HydrophobicContact CE-CD1 3.8Å; M102-I105 HydrophobicContact CG-CD1 4.5Å; M102-I105 PolarHBondContact O-N 2.63Å; M102-I105 HydrophobicContact SD-CD1 3.47Å; M102-I105 WeakPolarHBondContact SD-CD1 3.47Å; M102-Y151 HydrophobicContact SD-CE1 4.11Å; M102-R240 HydrophobicContact CE-CG 4.31Å; M102-R240 WeakPolarHBondContact SD-CD 3.46Å; M102-R240 HydrophobicContact SD-CG 3.67Å; M102-E257 WeakPolarHBondContact CG-O 3.14Å; M102-G258 WeakPolarHBondContact CE-O 3.35Å; M102-K260 HydrophobicContact CE-CB 4.13Å; M102-K260 WeakPolarHBondContact O-CD 3.43Å; M102-K260 WeakPolarHBondContact O-CE 3.45Å; M102-K260 PolarHBondContact O-NZ 2.91Å
103E76.1Confident74Confident169 Ų16980 Ų8079%0.7948%0.479SS*.THydrogen-bonded Turntrans-61.3-35.8176.1-51.3-173.9130.300113.6S101 I105 K260S101-E103 PolarHBondContact O-N 2.96Å; S101-E103 WeakPolarHBondContact OG-CB 3.35Å; E103-I105 PolarHBondContact O-N 3.12Å; E103-K260 VanDerWaalsContact C-NZ 3.26Å; E103-K260 PolarHBondContact O-NZ 3.27Å
104E88.6Confident76.7Confident119 Ų11976.9 Ų76.956%0.55645%0.448SS*.THydrogen-bonded Turntrans-71.7-27.1-177.9-171.6172.6-171.400113.2S101 M102 Q106S101-E104 PolarHBondContact O-N 3.35Å; M102-E104 PolarHBondContact O-N 3.02Å; E104-Q106 WeakPolarHBondContact O-CG 3.31Å; E104-Q106 PolarHBondContact O-N 3.27Å
105I95Very high79.5Confident3 Ų371.7 Ų71.72%0.01541%0.413CS..  trans-55.4124.4-173.5-56.1168.6000112.1M102 E103 I142 A143 G144 L145 Y151 I238 K260 F262M102-I105 HydrophobicContact CB-CD1 4.32Å; M102-I105 HydrophobicContact CE-CD1 3.8Å; M102-I105 HydrophobicContact CG-CD1 4.5Å; M102-I105 PolarHBondContact O-N 2.63Å; M102-I105 HydrophobicContact SD-CD1 3.47Å; M102-I105 WeakPolarHBondContact SD-CD1 3.47Å; E103-I105 PolarHBondContact O-N 3.12Å; I105-I142 HydrophobicContact CG2-CG2 4.29Å; I105-A143 CarbonylContact C-O 3.6Å; I105-A143 WeakPolarHBondContact CA-O 3.02Å; I105-G144 WeakPolarHBondContact CG1-O 3.26Å; I105-L145 HydrophobicContact CD1-CD2 3.74Å; I105-L145 HydrophobicContact CG1-CD2 3.89Å; I105-L145 HydrophobicContact CG2-CD2 3.83Å; I105-Y151 HydrophobicContact CD1-CE1 4.43Å; I105-I238 HydrophobicContact CD1-CG2 4.33Å; I105-I238 HydrophobicContact CG2-CD1 3.69Å; I105-K260 HydrophobicContact CB-CD 4.19Å; I105-K260 PolarHBondContact O-NZ 3.36Å; I105-F262 HydrophobicContact CB-CZ 4.42Å; I105-F262 HydrophobicContact CG2-CE2 4.36Å; I105-F262 HydrophobicContact CG2-CZ 4.01Å; I105-F262 WeakPolarHBondContact O-CZ 3.31Å
106Q96Very high82.2Confident137 Ų13768.3 Ų68.364%0.6439%0.391SS*.EExtended strand (participates in β ladder)trans-113.7146.1176.7-59.7-179.625.900111.3E104 I142 A143E104-Q106 WeakPolarHBondContact O-CG 3.31Å; E104-Q106 PolarHBondContact O-N 3.27Å; Q106-I142 WeakPolarHBondContact O-CA 3.49Å; Q106-A143 PolarHBondContact N-O 3.08Å; Q106-A143 PolarHBondContact O-N 2.72Å
107V97.8Very high84.8Confident16 Ų1670.4 Ų70.410%0.09738%0.382CS..EExtended strand (participates in β ladder)trans-135.6121.6178.9-175.40000109.8V140 K141 I142 I238 F262 F264V107-V140 HydrophobicContact CG1-CB 3.6Å; V107-V140 HydrophobicContact CG1-CG1 3.74Å; V107-V140 HydrophobicContact CG1-CG2 4.03Å; V107-K141 WeakPolarHBondContact CA-O 3.34Å; V107-I142 HydrophobicContact CG1-CG1 4.37Å; V107-I142 HydrophobicContact CG2-CG1 4.28Å; V107-I142 HydrophobicContact CG2-CG2 4.35Å; V107-I238 HydrophobicContact CG2-CD1 3.56Å; V107-F262 HydrophobicContact CB-CB 4.36Å; V107-F262 HydrophobicContact CB-CD1 3.79Å; V107-F262 HydrophobicContact CB-CD2 4.19Å; V107-F262 HydrophobicContact CB-CE1 4.05Å; V107-F262 HydrophobicContact CB-CE2 4.43Å; V107-F262 HydrophobicContact CB-CG 3.86Å; V107-F262 HydrophobicContact CB-CZ 4.35Å; V107-F262 HydrophobicContact CG2-CD1 3.85Å; V107-F262 HydrophobicContact CG2-CD2 3.55Å; V107-F262 HydrophobicContact CG2-CE1 3.75Å; V107-F262 HydrophobicContact CG2-CE2 3.45Å; V107-F262 VanDerWaalsContact CG2-CE2 3.45Å; V107-F262 HydrophobicContact CG2-CG 3.74Å; V107-F262 HydrophobicContact CG2-CZ 3.54Å; V107-F264 HydrophobicContact CB-CZ 4.45Å; V107-F264 HydrophobicContact CG1-CE2 4.42Å; V107-F264 HydrophobicContact CG1-CZ 4.03Å; V107-F264 WeakPolarHBondContact O-CZ 3.35Å
108E98.1Very high87.1Confident102 Ų10265.8 Ų65.848%0.47735%0.349SS..EExtended strand (participates in β ladder)trans-110.5121.1-174.5-173.1-154.4146.400110.5Q110 V140 K141E108-Q110 PolarHBondContact O-N 2.76Å; E108-Q110 PolarHBondContact OE1-NE2 3.27Å; E108-Q110 PolarHBondContact OE2-NE2 2.9Å; E108-V140 VanDerWaalsContact O-CA 3.29Å; E108-V140 WeakPolarHBondContact O-CA 3.46Å; E108-K141 HydrophobicContact CB-CB 4.35Å; E108-K141 PolarHBondContact N-O 3.37Å; E108-K141 PolarHBondContact O-N 3.35Å
109L98.3Very high89.6Confident10 Ų1063.8 Ų63.85%0.05233%0.329CS..EExtended strand (participates in β ladder)trans-69111.7177.1179.767.4000111.4A112 W115 M138 F264 E266 T267L109-A112 HydrophobicContact CD2-CB 4.26Å; L109-A112 HydrophobicContact CG-CB 4.42Å; L109-A112 PolarHBondContact O-N 3.31Å; L109-W115 HydrophobicContact CD2-CB 4.2Å; L109-W115 HydrophobicContact CD2-CG 4.08Å; L109-M138 HydrophobicContact CD1-CG 4.27Å; L109-F264 HydrophobicContact CB-CD1 3.79Å; L109-F264 HydrophobicContact CB-CD2 4.08Å; L109-F264 HydrophobicContact CB-CE1 3.84Å; L109-F264 HydrophobicContact CB-CE2 4.13Å; L109-F264 HydrophobicContact CB-CG 3.92Å; L109-F264 HydrophobicContact CB-CZ 4.02Å; L109-F264 HydrophobicContact CD1-CD2 4.14Å; L109-F264 HydrophobicContact CD1-CE2 4.49Å; L109-F264 HydrophobicContact CD2-CB 3.96Å; L109-F264 HydrophobicContact CD2-CD1 4.49Å; L109-F264 HydrophobicContact CD2-CG 4.08Å; L109-F264 HydrophobicContact CG-CD2 4.48Å; L109-F264 HydrophobicContact CG-CG 4.39Å; L109-E266 HydrophobicContact CD2-CG 3.72Å; L109-T267 HydrophobicContact CD1-CG2 4.01Å; L109-T267 HydrophobicContact CD2-CG2 3.54Å; L109-T267 HydrophobicContact CG-CG2 4.45Å
110Q97.9Very high91.9Very high45 Ų4564.9 Ų64.921%0.2133%0.327CS..THydrogen-bonded Turntrans-75.5140.4-180-66.2-61.4-58.100111.6E108 A112 R139 K141 V205E108-Q110 PolarHBondContact O-N 2.76Å; E108-Q110 PolarHBondContact OE1-NE2 3.27Å; E108-Q110 PolarHBondContact OE2-NE2 2.9Å; Q110-A112 VanDerWaalsContact C-N 3.31Å; Q110-A112 PolarHBondContact O-N 2.81Å; Q110-R139 HydrophobicContact CB-CB 3.91Å; Q110-R139 PolarHBondContact N-O 2.99Å; Q110-K141 HydrophobicContact CG-CB 4.19Å; Q110-V205 HydrophobicContact CB-CG1 4.26Å; Q110-V205 HydrophobicContact CG-CG1 3.79Å; Q110-V205 HydrophobicContact CG-CG2 3.88Å
111C94.8Very high93.8Very high88 Ų8866.7 Ų66.760%0.59533%0.334SS*.THydrogen-bonded Turntrans5835.8-171.6-58.40000114D113 L114 W115C111-D113 PolarHBondContact O-N 3.29Å; C111-D113 VanDerWaalsContact O-N 3.13Å; C111-L114 HydrophobicContact CB-CB 4.48Å; C111-L114 WeakPolarHBondContact O-CB 3.4Å; C111-L114 PolarHBondContact O-N 3.24Å; C111-W115 PolarHBondContact O-N 2.81Å
112A96.6Very high95.1Very high21 Ų2165.2 Ų65.217%0.17433%0.328CS..Hα-helixtrans-49.9-37.6179.400000113.7L109 Q110 L114 W115 K116L109-A112 HydrophobicContact CD2-CB 4.26Å; L109-A112 HydrophobicContact CG-CB 4.42Å; L109-A112 PolarHBondContact O-N 3.31Å; Q110-A112 VanDerWaalsContact C-N 3.31Å; Q110-A112 PolarHBondContact O-N 2.81Å; A112-L114 PolarHBondContact O-N 3.42Å; A112-W115 CarbonylContact O-C 3.6Å; A112-W115 WeakPolarHBondContact O-CA 3.41Å; A112-W115 WeakPolarHBondContact O-CB 3.21Å; A112-W115 PolarHBondContact O-N 3.41Å; A112-K116 WeakPolarHBondContact O-CG 3.43Å; A112-K116 PolarHBondContact O-N 3.37Å
113D97.8Very high96Very high105 Ų10564.3 Ų64.356%0.56132%0.324SS*.Hα-helixtrans-65-20.1178.2-61.2-20.5000114.6C111 R117C111-D113 PolarHBondContact O-N 3.29Å; C111-D113 VanDerWaalsContact O-N 3.13Å; D113-R117 WeakPolarHBondContact O-CD 3.32Å; D113-R117 WeakPolarHBondContact O-CG 3.36Å; D113-R117 PolarHBondContact O-NE 2.98Å
114L97.8Very high97.1Very high36 Ų3656.3 Ų56.319%0.18829%0.286CS..Hα-helixtrans-81-38.1170.6-17762.4000110.7C111 A112 F118 F135 P136 R287C111-L114 HydrophobicContact CB-CB 4.48Å; C111-L114 WeakPolarHBondContact O-CB 3.4Å; C111-L114 PolarHBondContact O-N 3.24Å; A112-L114 PolarHBondContact O-N 3.42Å; L114-F118 HydrophobicContact CD1-CD2 4.3Å; L114-F118 HydrophobicContact CD1-CE2 3.91Å; L114-F118 HydrophobicContact CG-CD2 4.29Å; L114-F118 HydrophobicContact CG-CE2 4.12Å; L114-F118 VanDerWaalsContact O-CD2 3.26Å; L114-F118 WeakPolarHBondContact O-CD2 3.48Å; L114-F118 PolarHBondContact O-N 2.88Å; L114-F135 HydrophobicContact CD2-CZ 4.21Å; L114-P136 HydrophobicContact CD2-CB 4.14Å; L114-P136 HydrophobicContact CD2-CG 3.9Å; L114-P136 HydrophobicContact CG-CG 3.86Å; L114-R287 HydrophobicContact CD1-CB 3.98Å; L114-R287 HydrophobicContact CD1-CG 3.82Å
115W98.4Very high97.6Very high1 Ų150.8 Ų50.80%0.00426%0.26CS..Hα-helixtrans-63.7-48.6174.2-78.9103.3000111.8L109 C111 A112 R117 F118 H119 T123 M125 P136 M138 E266 T267L109-W115 HydrophobicContact CD2-CB 4.2Å; L109-W115 HydrophobicContact CD2-CG 4.08Å; C111-W115 PolarHBondContact O-N 2.81Å; A112-W115 CarbonylContact O-C 3.6Å; A112-W115 WeakPolarHBondContact O-CA 3.41Å; A112-W115 WeakPolarHBondContact O-CB 3.21Å; A112-W115 PolarHBondContact O-N 3.41Å; W115-R117 PolarHBondContact O-N 3.39Å; W115-F118 CarbonylContact O-C 3.59Å; W115-F118 WeakPolarHBondContact O-CA 3.46Å; W115-F118 WeakPolarHBondContact O-CB 3.38Å; W115-F118 PolarHBondContact O-N 2.82Å; W115-H119 PolarHBondContact O-N 3.16Å; W115-T123 HydrophobicContact CZ3-CG2 4.47Å; W115-M125 HydrophobicContact CH2-CE 3.59Å; W115-M125 HydrophobicContact CZ3-CE 3.73Å; W115-P136 HydrophobicContact CD2-CB 4.23Å; W115-P136 HydrophobicContact CD2-CG 4.1Å; W115-P136 HydrophobicContact CE3-CG 4.45Å; W115-P136 HydrophobicContact CG-CG 4.45Å; W115-P136 HydrophobicContact CZ2-CB 3.91Å; W115-P136 HydrophobicContact CZ2-CG 4.46Å; W115-P136 WeakPolarHBondContact CZ2-O 3.48Å; W115-M138 HydrophobicContact CH2-CE 4.26Å; W115-M138 HydrophobicContact CZ2-CB 4.23Å; W115-M138 HydrophobicContact CZ2-CE 4.19Å; W115-E266 HydrophobicContact CB-CB 4.37Å; W115-E266 HydrophobicContact CB-CG 3.79Å; W115-T267 HydrophobicContact CD2-CG2 3.83Å; W115-T267 HydrophobicContact CE3-CG2 3.9Å; W115-T267 HydrophobicContact CG-CG2 4.2Å; W115-T267 HydrophobicContact CZ3-CG2 4.26Å
116K98.3Very high97.8Very high92 Ų9251.9 Ų51.940%0.427%0.266SS..Hα-helixtrans-52.5-51.3175.4-68.6168.3-174.5170.90111.6A112 F118 H119 D120 E266A112-K116 WeakPolarHBondContact O-CG 3.43Å; A112-K116 PolarHBondContact O-N 3.37Å; K116-F118 PolarHBondContact O-N 2.95Å; K116-F118 VanDerWaalsContact O-N 3.12Å; K116-H119 CarbonylContact O-C 3.52Å; K116-H119 WeakPolarHBondContact O-CA 3.36Å; K116-H119 VanDerWaalsContact O-CB 3.31Å; K116-H119 WeakPolarHBondContact O-CB 3.39Å; K116-H119 PolarHBondContact O-N 3.08Å; K116-D120 PolarHBondContact O-N 2.85Å; K116-D120 VanDerWaalsContact O-OD2 3.09Å; K116-E266 VanDerWaalsContact CE-OE1 3.23Å; K116-E266 WeakPolarHBondContact CE-OE1 3.27Å; K116-E266 HydrophobicContact CG-CB 4Å; K116-E266 HydrophobicContact CG-CG 4.15Å
117R98.2Very high97.9Very high124 Ų12445.5 Ų45.547%0.46824%0.236SC..Hα-helixtrans-59.7-25.4175.8-68.6173.6-151.9-126.87.2115D113 W115 D120 I121 L283D113-R117 WeakPolarHBondContact O-CD 3.32Å; D113-R117 WeakPolarHBondContact O-CG 3.36Å; D113-R117 PolarHBondContact O-NE 2.98Å; W115-R117 PolarHBondContact O-N 3.39Å; R117-D120 WeakPolarHBondContact CA-OD2 3.49Å; R117-I121 WeakPolarHBondContact O-CD1 3.49Å; R117-I121 WeakPolarHBondContact O-CG1 3.21Å; R117-L283 HydrophobicContact CB-CD2 4.16Å; R117-L283 WeakPolarHBondContact O-CD2 3.39Å
118F98.3Very high97.9Very high0 Ų047 Ų470%025%0.246CC..Hα-helixtrans-81.2-39.1170.2-84.6-67.4000111.6L114 W115 K116 I121 G122 T123 F135 P136 I280 L283 K284L114-F118 HydrophobicContact CD1-CD2 4.3Å; L114-F118 HydrophobicContact CD1-CE2 3.91Å; L114-F118 HydrophobicContact CG-CD2 4.29Å; L114-F118 HydrophobicContact CG-CE2 4.12Å; L114-F118 VanDerWaalsContact O-CD2 3.26Å; L114-F118 WeakPolarHBondContact O-CD2 3.48Å; L114-F118 PolarHBondContact O-N 2.88Å; W115-F118 CarbonylContact O-C 3.59Å; W115-F118 WeakPolarHBondContact O-CA 3.46Å; W115-F118 WeakPolarHBondContact O-CB 3.38Å; W115-F118 PolarHBondContact O-N 2.82Å; K116-F118 PolarHBondContact O-N 2.95Å; K116-F118 VanDerWaalsContact O-N 3.12Å; F118-I121 PolarHBondContact O-N 2.85Å; F118-G122 CarbonylContact O-C 3.58Å; F118-G122 PolarHBondContact O-N 2.95Å; F118-G122 VanDerWaalsContact O-N 3.1Å; F118-T123 HydrophobicContact CB-CG2 4.1Å; F118-T123 WeakPolarHBondContact CB-OG1 3.4Å; F118-T123 PolarHBondContact O-N 3.5Å; F118-T123 PolarHBondContact O-OG1 3.07Å; F118-F135 HydrophobicContact CE2-CD1 4.26Å; F118-F135 AromaticContact CE2-CE1 3.85Å; F118-F135 HydrophobicContact CE2-CE1 3.85Å; F118-F135 HydrophobicContact CZ-CD1 4.16Å; F118-F135 AromaticContact CZ-CE1 3.91Å; F118-F135 HydrophobicContact CZ-CE1 3.91Å; F118-P136 HydrophobicContact CD2-CG 3.57Å; F118-P136 HydrophobicContact CE2-CG 3.72Å; F118-I280 HydrophobicContact CD1-CD1 3.96Å; F118-I280 HydrophobicContact CD1-CG2 4.39Å; F118-I280 HydrophobicContact CE1-CG2 4.29Å; F118-L283 HydrophobicContact CD1-CD2 3.65Å; F118-L283 HydrophobicContact CD1-CG 4.21Å; F118-L283 HydrophobicContact CD2-CD2 4.19Å; F118-L283 HydrophobicContact CE1-CB 3.81Å; F118-L283 HydrophobicContact CE1-CD2 3.63Å; F118-L283 HydrophobicContact CE1-CG 3.64Å; F118-L283 HydrophobicContact CE2-CD2 4.17Å; F118-L283 HydrophobicContact CE2-CG 4.16Å; F118-L283 HydrophobicContact CG-CD2 3.92Å; F118-L283 HydrophobicContact CZ-CB 4.11Å; F118-L283 HydrophobicContact CZ-CD2 3.9Å; F118-L283 HydrophobicContact CZ-CG 3.61Å; F118-K284 HydrophobicContact CD1-CD 4.49Å; F118-K284 HydrophobicContact CE1-CD 3.56Å; F118-K284 HydrophobicContact CE1-CG 3.87Å; F118-K284 HydrophobicContact CZ-CD 3.71Å; F118-K284 HydrophobicContact CZ-CG 4.21Å
119H98.1Very high97.9Very high79 Ų7949.4 Ų49.437%0.36625%0.254SS..Hα-helixtrans-61.3-45.6177.6-170.186.9000112.2W115 K116 I121 G122 T123 S265 E266W115-H119 PolarHBondContact O-N 3.16Å; K116-H119 CarbonylContact O-C 3.52Å; K116-H119 WeakPolarHBondContact O-CA 3.36Å; K116-H119 VanDerWaalsContact O-CB 3.31Å; K116-H119 WeakPolarHBondContact O-CB 3.39Å; K116-H119 PolarHBondContact O-N 3.08Å; H119-I121 PolarHBondContact O-N 3.46Å; H119-I121 VanDerWaalsContact O-N 3.09Å; H119-G122 WeakPolarHBondContact O-CA 3.4Å; H119-G122 PolarHBondContact O-N 2.9Å; H119-T123 WeakPolarHBondContact CA-OG1 3.35Å; H119-T123 PolarHBondContact N-OG1 3.47Å; H119-S265 PolarHBondContact CE1-O 2.83Å; H119-S265 PolarHBondContact ND1-O 3.46Å; H119-E266 HydrophobicContact CB-CB 4.18Å; H119-E266 WeakPolarHBondContact ND1-CA 3.34Å
120D97.9Very high97.8Very high124 Ų12452.4 Ų52.466%0.66328%0.28SS*.THydrogen-bonded Turntrans-55.4-29.3178.5-56.5-31.5000113K116 R117K116-D120 PolarHBondContact O-N 2.85Å; K116-D120 VanDerWaalsContact O-OD2 3.09Å; R117-D120 WeakPolarHBondContact CA-OD2 3.49Å
121I96.9Very high97.8Very high53 Ų5350.8 Ų50.827%0.27228%0.276SS..THydrogen-bonded Turntrans-97.3-12.8-179.1-55.3176.1000111.2R117 F118 H119 N277 Q279 I280 L283R117-I121 WeakPolarHBondContact O-CD1 3.49Å; R117-I121 WeakPolarHBondContact O-CG1 3.21Å; F118-I121 PolarHBondContact O-N 2.85Å; H119-I121 PolarHBondContact O-N 3.46Å; H119-I121 VanDerWaalsContact O-N 3.09Å; I121-N277 VanDerWaalsContact CG2-ND2 3.31Å; I121-N277 WeakPolarHBondContact CG2-ND2 3.23Å; I121-N277 PolarHBondContact O-ND2 2.82Å; I121-Q279 HydrophobicContact CD1-CB 4.49Å; I121-Q279 HydrophobicContact CG2-CB 3.59Å; I121-I280 HydrophobicContact CB-CD1 3.67Å; I121-I280 HydrophobicContact CB-CG1 4.48Å; I121-I280 HydrophobicContact CG2-CD1 3.47Å; I121-I280 VanDerWaalsContact CG2-CD1 3.47Å; I121-I280 HydrophobicContact CG2-CG1 3.74Å; I121-L283 HydrophobicContact CD1-CD2 3.92Å
122G97.4Very high98Very high24 Ų2452.9 Ų52.925%0.24727%0.271CS..  trans85.889.8-170.800000112.1F118 H119 E124 I280F118-G122 CarbonylContact O-C 3.58Å; F118-G122 PolarHBondContact O-N 2.95Å; F118-G122 VanDerWaalsContact O-N 3.1Å; H119-G122 WeakPolarHBondContact O-CA 3.4Å; H119-G122 PolarHBondContact O-N 2.9Å; G122-E124 PolarHBondContact O-N 2.77Å; G122-I280 VanDerWaalsContact O-CD1 3.29Å; G122-I280 WeakPolarHBondContact O-CD1 3.31Å
123T98.6Very high98.1Very high3 Ų357.8 Ų57.82%0.01829%0.285CS..  trans-53.3124.9-175.9-50.80000112.3W115 F118 H119 M125 V268 F269 T270W115-T123 HydrophobicContact CZ3-CG2 4.47Å; F118-T123 HydrophobicContact CB-CG2 4.1Å; F118-T123 WeakPolarHBondContact CB-OG1 3.4Å; F118-T123 PolarHBondContact O-N 3.5Å; F118-T123 PolarHBondContact O-OG1 3.07Å; H119-T123 WeakPolarHBondContact CA-OG1 3.35Å; H119-T123 PolarHBondContact N-OG1 3.47Å; T123-M125 HydrophobicContact CG2-CE 4.13Å; T123-V268 WeakPolarHBondContact CB-O 3.48Å; T123-V268 PolarHBondContact OG1-O 3.46Å; T123-F269 HydrophobicContact CG2-CB 3.64Å; T123-F269 CarbonylContact O-C 3.48Å; T123-F269 VanDerWaalsContact O-CA 3.25Å; T123-F269 WeakPolarHBondContact O-CA 3.38Å; T123-F269 WeakPolarHBondContact O-CB 3.43Å; T123-T270 PolarHBondContact O-N 3.17Å
124E98.6Very high98.1Very high0 Ų053.4 Ų53.40%026%0.262CS..EExtended strand (participates in β ladder)trans-108.3141.8169.7-59.7177.7-16500111.4G122 W174 T270 V272 Y275 Q276 N277 I280 K284G122-E124 PolarHBondContact O-N 2.77Å; E124-W174 HydrophobicContact CG-CZ2 4.04Å; E124-T270 CarbonylContact C-O 3.52Å; E124-T270 VanDerWaalsContact CA-O 3.31Å; E124-T270 WeakPolarHBondContact CA-O 3.38Å; E124-V272 HydrophobicContact CB-CG2 4.1Å; E124-V272 HydrophobicContact CG-CG1 4.48Å; E124-Y275 HydrophobicContact CB-CD1 3.96Å; E124-Y275 HydrophobicContact CB-CE1 4.27Å; E124-Y275 WeakPolarHBondContact OE2-CA 3.41Å; E124-Y275 WeakPolarHBondContact OE2-CD1 3.45Å; E124-Q276 PolarHBondContact OE2-N 2.82Å; E124-N277 WeakPolarHBondContact OE1-CB 3.37Å; E124-N277 PolarHBondContact OE1-N 2.96Å; E124-I280 HydrophobicContact CB-CG2 4.08Å; E124-I280 HydrophobicContact CG-CG1 4.29Å; E124-I280 HydrophobicContact CG-CG2 4.46Å; E124-K284 WeakPolarHBondContact O-CE 3.38Å; E124-K284 PolarHBondContact O-NZ 3.08Å
125M98.7Very high98.1Very high3 Ų353.3 Ų53.32%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-123.1131.4172.2-67.5-63.4-172.900111W115 T123 M134 L213 F269 T270 V272W115-M125 HydrophobicContact CH2-CE 3.59Å; W115-M125 HydrophobicContact CZ3-CE 3.73Å; T123-M125 HydrophobicContact CG2-CE 4.13Å; M125-M134 HydrophobicContact CE-CB 4.08Å; M125-M134 HydrophobicContact CE-CG 4.49Å; M125-M134 HydrophobicContact SD-CB 4.11Å; M125-M134 HydrophobicContact SD-CG 4.41Å; M125-L213 HydrophobicContact CB-CD1 3.98Å; M125-L213 HydrophobicContact CG-CD1 4.46Å; M125-F269 HydrophobicContact CB-CD2 3.68Å; M125-F269 HydrophobicContact CB-CE2 3.83Å; M125-F269 HydrophobicContact CB-CG 4.11Å; M125-F269 HydrophobicContact CB-CZ 4.36Å; M125-F269 HydrophobicContact CE-CD1 4.11Å; M125-F269 HydrophobicContact CG-CB 3.86Å; M125-F269 HydrophobicContact CG-CD1 3.62Å; M125-F269 HydrophobicContact CG-CD2 3.51Å; M125-F269 HydrophobicContact CG-CE1 3.92Å; M125-F269 HydrophobicContact CG-CE2 3.85Å; M125-F269 HydrophobicContact CG-CG 3.4Å; M125-F269 HydrophobicContact CG-CZ 4.04Å; M125-T270 PolarHBondContact N-O 3.18Å; M125-V272 PolarHBondContact O-N 2.95Å
126I98.6Very high98.1Very high27 Ų2753.5 Ų53.514%0.13826%0.261CS..EExtended strand (participates in β ladder)trans-78130.1178.1-62-77.1000109.8T128 R132 V272 Y275I126-T128 HydrophobicContact CG2-CG2 3.93Å; I126-R132 HydrophobicContact CB-CG 4.11Å; I126-R132 HydrophobicContact CG2-CG 4.02Å; I126-R132 WeakPolarHBondContact O-CB 3.42Å; I126-R132 WeakPolarHBondContact O-CG 3.42Å; I126-V272 CarbonylContact C-O 3.56Å; I126-V272 VanDerWaalsContact CA-O 3.28Å; I126-V272 WeakPolarHBondContact CA-O 3.42Å; I126-V272 HydrophobicContact CD1-CG2 4Å; I126-Y275 HydrophobicContact CD1-CD1 3.93Å; I126-Y275 HydrophobicContact CD1-CD2 4.08Å; I126-Y275 HydrophobicContact CD1-CE1 3.9Å; I126-Y275 HydrophobicContact CD1-CE2 4.05Å; I126-Y275 HydrophobicContact CD1-CG 4.01Å; I126-Y275 HydrophobicContact CG1-CD1 4.16Å; I126-Y275 HydrophobicContact CG1-CD2 4.4Å; I126-Y275 HydrophobicContact CG1-CE1 3.59Å; I126-Y275 HydrophobicContact CG1-CE2 3.87Å; I126-Y275 VanDerWaalsContact CG1-CZ 3.42Å
127I98.5Very high98Very high2 Ų250.3 Ų50.31%0.0125%0.252CS..  trans-113141.6170.663.8175.4000110.6L213 N215 L226 T271 V272 T273I127-L213 HydrophobicContact CG2-CB 3.76Å; I127-L213 HydrophobicContact CG2-CD1 4.39Å; I127-N215 HydrophobicContact CB-CB 4.4Å; I127-N215 HydrophobicContact CD1-CB 3.62Å; I127-N215 HydrophobicContact CG1-CB 3.92Å; I127-L226 WeakPolarHBondContact CD1-O 3.29Å; I127-T271 HydrophobicContact CG2-CG2 3.88Å; I127-V272 PolarHBondContact N-O 3.04Å; I127-T273 HydrophobicContact CG1-CG2 4.42Å
128T98.3Very high98Very high49 Ų4944.5 Ų44.530%0.30123%0.23SC..  trans-145.4156.118069.20000111.9I126 A130 G131 R132 T214 N215I126-T128 HydrophobicContact CG2-CG2 3.93Å; T128-A130 PolarHBondContact O-N 3.1Å; T128-A130 VanDerWaalsContact O-N 3.1Å; T128-G131 PolarHBondContact O-N 2.91Å; T128-R132 HydrophobicContact CG2-CB 4.29Å; T128-T214 WeakPolarHBondContact O-CA 3.49Å; T128-T214 PolarHBondContact O-OG1 3.13Å; T128-T214 VanDerWaalsContact O-OG1 3.08Å; T128-N215 WeakPolarHBondContact CA-OD1 3.42Å
129K97.2Very high98Very high152 Ų15249.9 Ų49.966%0.66125%0.25SS*.THydrogen-bonded Turntrans-53.5-33-178.4-172.5178.3-178.6-1800114.5T214 N215 N216K129-T214 PolarHBondContact O-OG1 3.44Å; K129-N215 PolarHBondContact N-OD1 2.73Å; K129-N216 HydrophobicContact CG-CB 4.13Å
130A97.3Very high98.1Very high72 Ų7246.1 Ų46.160%0.59523%0.233SC*.THydrogen-bonded Turntrans-92.35-179.100000114.2T128 K212 H223T128-A130 PolarHBondContact O-N 3.1Å; T128-A130 VanDerWaalsContact O-N 3.1Å; A130-K212 PolarHBondContact O-NZ 3.13Å; A130-H223 PolarHBondContact O-CE1 3.33Å
131G97.9Very high98.1Very high11 Ų1145 Ų4511%0.11322%0.222CC..  trans76.8127.9-176.300000113.6T128 L213T128-G131 PolarHBondContact O-N 2.91Å; G131-L213 CarbonylContact C-O 3.41Å; G131-L213 WeakPolarHBondContact CA-O 3.48Å
132R98.4Very high98.1Very high132 Ų13242.7 Ų42.750%0.49821%0.21SC..EExtended strand (participates in β ladder)trans-117.9131.4-179.3-176.166.6176.6-168.9-1.9111.1I126 T128 K212 L213I126-R132 HydrophobicContact CB-CG 4.11Å; I126-R132 HydrophobicContact CG2-CG 4.02Å; I126-R132 WeakPolarHBondContact O-CB 3.42Å; I126-R132 WeakPolarHBondContact O-CG 3.42Å; T128-R132 HydrophobicContact CG2-CB 4.29Å; R132-K212 CarbonylContact O-C 3.58Å; R132-K212 WeakPolarHBondContact O-CA 3.31Å; R132-L213 PolarHBondContact N-O 2.88Å; R132-L213 PolarHBondContact O-N 3.49Å
133R98.2Very high98.1Very high125 Ų12543.5 Ų43.547%0.47222%0.215SC..EExtended strand (participates in β ladder)trans-66.8142.5175.7-69.9174174-140.59.9111.5D209 L211 K212R133-D209 WeakPolarHBondContact CD-O 3.1Å; R133-D209 WeakPolarHBondContact CG-O 3.4Å; R133-D209 VanDerWaalsContact CZ-O 3.28Å; R133-D209 PolarHBondContact NE-O 3.12Å; R133-D209 PolarHBondContact NH1-O 2.97Å; R133-D209 IonicContact NH1-OD2 3.71Å; R133-D209 PolarHBondContact NH1-OD2 3.28Å; R133-L211 WeakPolarHBondContact CA-O 3.38Å; R133-K212 HydrophobicContact CG-CG 4.08Å
134M98.2Very high98Very high13 Ų1344.4 Ų44.46%0.06422%0.224CC..  trans-65148.9174.2-64-167-67.500111.7M125 P136 M138 M155 I157 L211 L213 F269M125-M134 HydrophobicContact CE-CB 4.08Å; M125-M134 HydrophobicContact CE-CG 4.49Å; M125-M134 HydrophobicContact SD-CB 4.11Å; M125-M134 HydrophobicContact SD-CG 4.41Å; M134-P136 CarbonylContact C-O 3.53Å; M134-M138 HydrophobicContact CE-CB 4.32Å; M134-M155 HydrophobicContact CE-SD 4.06Å; M134-I157 HydrophobicContact SD-CD1 4.29Å; M134-L211 HydrophobicContact CE-CD1 4.23Å; M134-L211 HydrophobicContact CE-CD2 4.09Å; M134-L213 HydrophobicContact CG-CD1 3.71Å; M134-L213 HydrophobicContact CG-CD2 4.3Å; M134-L213 HydrophobicContact CG-CG 3.91Å; M134-L213 HydrophobicContact SD-CD1 4.16Å; M134-L213 HydrophobicContact SD-CD2 4.33Å; M134-L213 HydrophobicContact SD-CG 4.5Å; M134-F269 HydrophobicContact SD-CE1 3.87Å; M134-F269 HydrophobicContact SD-CZ 4.27Å
135F98.3Very high97.9Very high33 Ų3344.6 Ų44.615%0.14523%0.226CC..SBendtrans-141.5121.3164.8-174.8-90.6000110.5L114 F118 K284 R287 N288L114-F135 HydrophobicContact CD2-CZ 4.21Å; F118-F135 HydrophobicContact CE2-CD1 4.26Å; F118-F135 AromaticContact CE2-CE1 3.85Å; F118-F135 HydrophobicContact CE2-CE1 3.85Å; F118-F135 HydrophobicContact CZ-CD1 4.16Å; F118-F135 AromaticContact CZ-CE1 3.91Å; F118-F135 HydrophobicContact CZ-CE1 3.91Å; F135-K284 HydrophobicContact CD1-CD 3.85Å; F135-K284 PolarHBondContact O-NZ 3.31Å; F135-R287 HydrophobicContact CE1-CB 4.02Å; F135-R287 VanDerWaalsContact CZ-C 3.45Å; F135-R287 HydrophobicContact CZ-CB 3.98Å; F135-N288 HydrophobicContact CD1-CB 3.89Å; F135-N288 HydrophobicContact CD2-CB 3.9Å; F135-N288 HydrophobicContact CE1-CB 3.81Å; F135-N288 HydrophobicContact CE2-CB 3.83Å; F135-N288 HydrophobicContact CG-CB 3.95Å; F135-N288 VanDerWaalsContact CZ-CA 3.43Å; F135-N288 HydrophobicContact CZ-CB 3.79Å
136P98.1Very high97.7Very high5 Ų546.2 Ų46.23%0.03223%0.234CC..SBendcis-60.5154.80.4-19.733.1000112.5L114 W115 F118 M134L114-P136 HydrophobicContact CD2-CB 4.14Å; L114-P136 HydrophobicContact CD2-CG 3.9Å; L114-P136 HydrophobicContact CG-CG 3.86Å; W115-P136 HydrophobicContact CD2-CB 4.23Å; W115-P136 HydrophobicContact CD2-CG 4.1Å; W115-P136 HydrophobicContact CE3-CG 4.45Å; W115-P136 HydrophobicContact CG-CG 4.45Å; W115-P136 HydrophobicContact CZ2-CB 3.91Å; W115-P136 HydrophobicContact CZ2-CG 4.46Å; W115-P136 WeakPolarHBondContact CZ2-O 3.48Å; F118-P136 HydrophobicContact CD2-CG 3.57Å; F118-P136 HydrophobicContact CE2-CG 3.72Å; M134-P136 CarbonylContact C-O 3.53Å
137A97.4Very high97.6Very high26 Ų2647.9 Ų47.922%0.21525%0.247CC..PPolyproline II helixtrans-73.4136.6169.200000108.1R139 D209A137-R139 PolarHBondContact O-N 2.78Å; A137-D209 HydrophobicContact CB-CB 3.82Å
138M98.1Very high97.4Very high1 Ų155.8 Ų55.81%0.00528%0.283CS..PPolyproline II helixtrans-72.7129.7173.5-171.1159.9-61.400109.3L109 W115 M134 M155 F208 P234 V236 T267L109-M138 HydrophobicContact CD1-CG 4.27Å; W115-M138 HydrophobicContact CH2-CE 4.26Å; W115-M138 HydrophobicContact CZ2-CB 4.23Å; W115-M138 HydrophobicContact CZ2-CE 4.19Å; M134-M138 HydrophobicContact CE-CB 4.32Å; M138-M155 HydrophobicContact CB-CE 3.85Å; M138-M155 HydrophobicContact CB-SD 4.48Å; M138-M155 HydrophobicContact CG-CE 3.67Å; M138-M155 HydrophobicContact SD-CE 3.3Å; M138-M155 WeakPolarHBondContact SD-CE 3.41Å; M138-M155 HydrophobicContact SD-SD 4.3Å; M138-F208 HydrophobicContact CB-CB 4.47Å; M138-F208 PolarHBondContact O-N 2.91Å; M138-P234 HydrophobicContact CE-CB 3.58Å; M138-P234 HydrophobicContact CE-CG 3.83Å; M138-P234 HydrophobicContact SD-CB 4.13Å; M138-V236 HydrophobicContact SD-CG2 4.02Å; M138-T267 VanDerWaalsContact CE-CB 3.43Å; M138-T267 HydrophobicContact CE-CG2 3.49Å; M138-T267 VanDerWaalsContact CE-CG2 3.49Å
139R98.2Very high97.3Very high113 Ų11356.1 Ų56.143%0.42628%0.281SS..EExtended strand (participates in β ladder)trans-141.2136.3-177-73.9-174.7165.3-177-4.8108.4Q110 A137 V205 V206 S207Q110-R139 HydrophobicContact CB-CB 3.91Å; Q110-R139 PolarHBondContact N-O 2.99Å; A137-R139 PolarHBondContact O-N 2.78Å; R139-V205 HydrophobicContact CB-CG1 3.87Å; R139-V205 HydrophobicContact CG-CG1 4.44Å; R139-V206 VanDerWaalsContact CA-O 3.27Å; R139-V206 WeakPolarHBondContact CA-O 3.38Å; R139-S207 PolarHBondContact NE-OG 3.12Å; R139-S207 PolarHBondContact NH2-OG 3.47Å
140V98.5Very high97.2Very high0 Ų052.1 Ų52.10%027%0.265CS..EExtended strand (participates in β ladder)trans-135.8143.4-178.1-64.40000111.3V107 E108 I142 V205 V206 F208 V236 F264V107-V140 HydrophobicContact CG1-CB 3.6Å; V107-V140 HydrophobicContact CG1-CG1 3.74Å; V107-V140 HydrophobicContact CG1-CG2 4.03Å; E108-V140 VanDerWaalsContact O-CA 3.29Å; E108-V140 WeakPolarHBondContact O-CA 3.46Å; V140-I142 HydrophobicContact CG2-CD1 4.22Å; V140-I142 HydrophobicContact CG2-CG1 4.16Å; V140-V205 CarbonylContact O-C 3.6Å; V140-V205 WeakPolarHBondContact O-CA 3.38Å; V140-V206 HydrophobicContact CG2-CB 4.08Å; V140-V206 PolarHBondContact N-O 3.43Å; V140-V206 PolarHBondContact O-N 3.01Å; V140-F208 HydrophobicContact CG2-CE2 4.26Å; V140-V236 HydrophobicContact CG1-CG2 4.22Å; V140-V236 HydrophobicContact CG2-CG1 4.48Å; V140-F264 HydrophobicContact CG1-CE2 4.02Å; V140-F264 HydrophobicContact CG1-CZ 4.49Å
141K98.3Very high97.2Very high101 Ų10148.7 Ų48.744%0.43924%0.237SC..EExtended strand (participates in β ladder)trans-99.1144.5163.6-176.1-173.8171.1-1620107.6V107 E108 Q110 V205V107-K141 WeakPolarHBondContact CA-O 3.34Å; E108-K141 HydrophobicContact CB-CB 4.35Å; E108-K141 PolarHBondContact N-O 3.37Å; E108-K141 PolarHBondContact O-N 3.35Å; Q110-K141 HydrophobicContact CG-CB 4.19Å; K141-V205 HydrophobicContact CB-CG2 4.39Å
142I98.1Very high97.2Very high4 Ų451 Ų512%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-127.8143.2-173.5-54.2173.5000108.6I105 Q106 V107 V140 L145 I153 M202 V206 I238I105-I142 HydrophobicContact CG2-CG2 4.29Å; Q106-I142 WeakPolarHBondContact O-CA 3.49Å; V107-I142 HydrophobicContact CG1-CG1 4.37Å; V107-I142 HydrophobicContact CG2-CG1 4.28Å; V107-I142 HydrophobicContact CG2-CG2 4.35Å; V140-I142 HydrophobicContact CG2-CD1 4.22Å; V140-I142 HydrophobicContact CG2-CG1 4.16Å; I142-L145 HydrophobicContact CG2-CD1 3.73Å; I142-L145 HydrophobicContact CG2-CD2 4.32Å; I142-L145 HydrophobicContact CG2-CG 3.86Å; I142-I153 HydrophobicContact CD1-CD1 3.33Å; I142-M202 WeakPolarHBondContact O-CG 3.47Å; I142-V206 HydrophobicContact CD1-CG2 3.91Å; I142-I238 HydrophobicContact CD1-CD1 4.02Å; I142-I238 HydrophobicContact CG1-CD1 4.44Å; I142-I238 HydrophobicContact CG2-CD1 3.75Å
143A97.3Very high97.1Very high42 Ų4244.8 Ų44.835%0.34722%0.219SC..EExtended strand (participates in β ladder)trans-142.6164.8176.300000110.2I105 Q106I105-A143 CarbonylContact C-O 3.6Å; I105-A143 WeakPolarHBondContact CA-O 3.02Å; Q106-A143 PolarHBondContact N-O 3.08Å; Q106-A143 PolarHBondContact O-N 2.72Å
144G95.8Very high97.1Very high21 Ų2138.8 Ų38.822%0.21620%0.197CC..SBendtrans7322.1178.100000114.9I105I105-G144 WeakPolarHBondContact CG1-O 3.26Å
145L96.1Very high97.1Very high5 Ų538.2 Ų38.23%0.02619%0.194CC..  trans-85.5147.3167.7-60.9175.1000109.9I105 I142 P147 Y151 W201 M202 I238I105-L145 HydrophobicContact CD1-CD2 3.74Å; I105-L145 HydrophobicContact CG1-CD2 3.89Å; I105-L145 HydrophobicContact CG2-CD2 3.83Å; I142-L145 HydrophobicContact CG2-CD1 3.73Å; I142-L145 HydrophobicContact CG2-CD2 4.32Å; I142-L145 HydrophobicContact CG2-CG 3.86Å; L145-P147 WeakPolarHBondContact O-CD 3.4Å; L145-Y151 HydrophobicContact CB-CE2 3.97Å; L145-Y151 HydrophobicContact CD2-CD1 4.07Å; L145-Y151 HydrophobicContact CD2-CD2 4.39Å; L145-Y151 HydrophobicContact CD2-CE1 3.73Å; L145-Y151 HydrophobicContact CD2-CE2 4.11Å; L145-Y151 HydrophobicContact CD2-CG 4.37Å; L145-Y151 HydrophobicContact CG-CE2 4.46Å; L145-W201 HydrophobicContact CD1-CB 3.64Å; L145-W201 HydrophobicContact CD1-CG 4.37Å; L145-M202 HydrophobicContact CB-CE 4.12Å; L145-M202 HydrophobicContact CB-CG 4.23Å; L145-M202 HydrophobicContact CB-SD 3.94Å; L145-M202 HydrophobicContact CD1-CG 4.12Å; L145-M202 HydrophobicContact CG-CG 4.3Å; L145-M202 HydrophobicContact CG-SD 4.45Å; L145-M202 PolarHBondContact N-SD 3.47Å; L145-M202 WeakPolarHBondContact O-CE 3.01Å; L145-I238 HydrophobicContact CD2-CD1 4.48Å; L145-I238 HydrophobicContact CD2-CG2 3.77Å
146D95.2Very high97Very high37 Ų3737.2 Ų37.220%0.19819%0.19CC..  trans-61.4121.1166.9179-39.7000109.1A100 H148 Q149 Y151 G198A100-D146 HydrophobicContact CB-CB 4.12Å; D146-H148 PolarHBondContact O-N 2.68Å; D146-H148 VanDerWaalsContact O-N 3.17Å; D146-H148 WeakPolarHBondContact OD1-CA 3.47Å; D146-H148 WeakPolarHBondContact OD1-CB 3.35Å; D146-H148 IonicContact OD1-CD2 3.57Å; D146-H148 PolarHBondContact OD1-N 3.39Å; D146-Q149 HydrophobicContact CB-CB 3.72Å; D146-Q149 PolarHBondContact O-N 2.79Å; D146-Q149 PolarHBondContact OD1-N 3.23Å; D146-Y151 WeakPolarHBondContact CB-OH 3.3Å; D146-Y151 PolarHBondContact N-OH 3.49Å; D146-Y151 VanDerWaalsContact N-OH 3.07Å; D146-G198 VanDerWaalsContact O-CA 3.27Å; D146-G198 WeakPolarHBondContact O-CA 3.27Å
147P95.9Very high97Very high61 Ų6137.8 Ų37.840%0.39619%0.192SC..SBendtrans-56.5-31.1-178.5-28.937.4000114.6L145 S197 D199 M202L145-P147 WeakPolarHBondContact O-CD 3.4Å; P147-S197 WeakPolarHBondContact O-CB 3.38Å; P147-D199 HydrophobicContact CB-CB 4.11Å; P147-D199 PolarHBondContact O-N 2.91Å; P147-M202 HydrophobicContact CG-CE 4.45Å
148H95.3Very high97Very high168 Ų16838.4 Ų38.478%0.77819%0.194SC*.SBendtrans-96.7-32.1-172.3-55.6-74.2000112.7D146D146-H148 PolarHBondContact O-N 2.68Å; D146-H148 VanDerWaalsContact O-N 3.17Å; D146-H148 WeakPolarHBondContact OD1-CA 3.47Å; D146-H148 WeakPolarHBondContact OD1-CB 3.35Å; D146-H148 IonicContact OD1-CD2 3.57Å; D146-H148 PolarHBondContact OD1-N 3.39Å
149Q95.1Very high96.9Very high56 Ų5642.6 Ų42.626%0.26222%0.221SC..SBendtrans-67.9151.2177.5-164.561.20.500111.9D146 Y151 S197 G198 R240 D242D146-Q149 HydrophobicContact CB-CB 3.72Å; D146-Q149 PolarHBondContact O-N 2.79Å; D146-Q149 PolarHBondContact OD1-N 3.23Å; Q149-Y151 HydrophobicContact CB-CE2 3.91Å; Q149-Y151 HydrophobicContact CG-CE2 4.35Å; Q149-Y151 WeakPolarHBondContact O-CD2 3.36Å; Q149-S197 CarbonylContact O-C 3.57Å; Q149-S197 VanDerWaalsContact O-CA 3.32Å; Q149-S197 WeakPolarHBondContact O-CA 3.44Å; Q149-G198 PolarHBondContact O-N 2.7Å; Q149-R240 HydrophobicContact CG-CG 4.5Å; Q149-D242 PolarHBondContact NE2-OD1 3.25Å
150Q96.3Very high96.9Very high69 Ų6940.6 Ų40.632%0.32222%0.221SC..EExtended strand (participates in β ladder)trans-101.5138179.9-54.1-168.1-62.900112.1L195 A196 K241Q150-L195 HydrophobicContact CB-CD1 3.65Å; Q150-L195 HydrophobicContact CB-CD2 4.27Å; Q150-L195 HydrophobicContact CB-CG 3.97Å; Q150-A196 CarbonylContact C-O 3.52Å; Q150-A196 WeakPolarHBondContact CA-O 3.46Å; Q150-K241 HydrophobicContact CB-CB 4.17Å; Q150-K241 HydrophobicContact CB-CD 4.21Å; Q150-K241 WeakPolarHBondContact O-CB 3.38Å; Q150-K241 PolarHBondContact O-N 2.71Å
151Y96.9Very high96.8Very high0 Ų042.4 Ų42.40%023%0.231CC..EExtended strand (participates in β ladder)trans-131.5140.4-176-58.8-98.8000112.1M102 I105 L145 D146 Q149 L195 A196 W201 I238 I239 R240M102-Y151 HydrophobicContact SD-CE1 4.11Å; I105-Y151 HydrophobicContact CD1-CE1 4.43Å; L145-Y151 HydrophobicContact CB-CE2 3.97Å; L145-Y151 HydrophobicContact CD2-CD1 4.07Å; L145-Y151 HydrophobicContact CD2-CD2 4.39Å; L145-Y151 HydrophobicContact CD2-CE1 3.73Å; L145-Y151 HydrophobicContact CD2-CE2 4.11Å; L145-Y151 HydrophobicContact CD2-CG 4.37Å; L145-Y151 HydrophobicContact CG-CE2 4.46Å; D146-Y151 WeakPolarHBondContact CB-OH 3.3Å; D146-Y151 PolarHBondContact N-OH 3.49Å; D146-Y151 VanDerWaalsContact N-OH 3.07Å; Q149-Y151 HydrophobicContact CB-CE2 3.91Å; Q149-Y151 HydrophobicContact CG-CE2 4.35Å; Q149-Y151 WeakPolarHBondContact O-CD2 3.36Å; Y151-L195 VanDerWaalsContact C-CD1 3.46Å; Y151-L195 WeakPolarHBondContact O-CD1 3.3Å; Y151-A196 PolarHBondContact N-O 3.44Å; Y151-A196 PolarHBondContact O-N 2.95Å; Y151-W201 PolarHBondContact O-NE1 3.2Å; Y151-I238 HydrophobicContact CD1-CG2 3.69Å; Y151-I238 HydrophobicContact CE1-CG2 4.22Å; Y151-I238 HydrophobicContact CG-CG2 4.43Å; Y151-I239 CarbonylContact C-O 3.59Å; Y151-I239 VanDerWaalsContact CA-O 3.31Å; Y151-I239 WeakPolarHBondContact CA-O 3.31Å; Y151-R240 HydrophobicContact CD1-CG 3.83Å; Y151-R240 HydrophobicContact CE1-CG 3.48Å; Y151-R240 VanDerWaalsContact CE1-CG 3.48Å
152Y97.1Very high96.7Very high60 Ų6043.2 Ų43.224%0.23524%0.24CC..EExtended strand (participates in β ladder)trans-87142.3158.8-66.8-94.8000109.2I190 L195 I239 S244 L247Y152-I190 HydrophobicContact CD1-CG2 4.36Å; Y152-L195 HydrophobicContact CD2-CD1 3.78Å; Y152-L195 HydrophobicContact CE1-CB 4.08Å; Y152-L195 HydrophobicContact CE2-CB 4.4Å; Y152-L195 HydrophobicContact CE2-CD1 3.69Å; Y152-L195 HydrophobicContact CE2-CD2 4.18Å; Y152-L195 HydrophobicContact CE2-CG 4.31Å; Y152-L195 HydrophobicContact CG-CD1 4.29Å; Y152-I239 PolarHBondContact N-O 3.22Å; Y152-I239 PolarHBondContact O-N 3.24Å; Y152-S244 VanDerWaalsContact CE2-CB 3.45Å; Y152-S244 VanDerWaalsContact CE2-OG 3.23Å; Y152-S244 WeakPolarHBondContact CE2-OG 3.44Å; Y152-L247 HydrophobicContact CD1-CD2 4.04Å; Y152-L247 HydrophobicContact CD2-CD2 4.39Å; Y152-L247 HydrophobicContact CG-CD2 3.85Å
153I97.6Very high96.7Very high0 Ų047.5 Ų47.50%026%0.258CS..EExtended strand (participates in β ladder)trans-117.9129.6169.6-62.8-169.5000108.9I142 H191 S194 W201 V206 F208 V236 H237 I238I142-I153 HydrophobicContact CD1-CD1 3.33Å; I153-H191 HydrophobicContact CB-CB 4.38Å; I153-H191 VanDerWaalsContact O-CB 3.31Å; I153-H191 WeakPolarHBondContact O-CB 3.39Å; I153-H191 PolarHBondContact O-N 3.04Å; I153-S194 PolarHBondContact N-OG 3.05Å; I153-S194 VanDerWaalsContact N-OG 3.12Å; I153-S194 PolarHBondContact O-OG 2.9Å; I153-W201 HydrophobicContact CB-CH2 4.04Å; I153-W201 HydrophobicContact CB-CZ2 4.02Å; I153-W201 HydrophobicContact CB-CZ3 4.43Å; I153-W201 HydrophobicContact CD1-CB 4.13Å; I153-W201 HydrophobicContact CD1-CD2 3.36Å; I153-W201 HydrophobicContact CD1-CE3 3.57Å; I153-W201 HydrophobicContact CD1-CG 3.66Å; I153-W201 HydrophobicContact CD1-CH2 4.31Å; I153-W201 HydrophobicContact CD1-CZ2 4.16Å; I153-W201 HydrophobicContact CD1-CZ3 4.05Å; I153-W201 HydrophobicContact CG1-CD2 3.92Å; I153-W201 HydrophobicContact CG1-CE3 4.3Å; I153-W201 HydrophobicContact CG1-CG 4.36Å; I153-W201 HydrophobicContact CG1-CH2 4.21Å; I153-W201 HydrophobicContact CG1-CZ2 3.83Å; I153-W201 HydrophobicContact CG1-CZ3 4.44Å; I153-V206 HydrophobicContact CD1-CG2 4.27Å; I153-V206 HydrophobicContact CG2-CG1 4.32Å; I153-F208 HydrophobicContact CG2-CE1 4.47Å; I153-F208 HydrophobicContact CG2-CZ 3.76Å; I153-V236 HydrophobicContact CG2-CG1 4.47Å; I153-H237 WeakPolarHBondContact CA-O 3.47Å; I153-I238 HydrophobicContact CG1-CG1 4.47Å
154A97.4Very high96.8Very high0 Ų050.7 Ų50.70%026%0.261CS..EExtended strand (participates in β ladder)trans-137.3166-175.800000112.1V188 Y189 I190 H237 I239A154-V188 HydrophobicContact CB-CG1 3.7Å; A154-Y189 CarbonylContact C-O 3.57Å; A154-Y189 VanDerWaalsContact CA-O 3.29Å; A154-Y189 WeakPolarHBondContact CA-O 3.38Å; A154-I190 HydrophobicContact CB-CG1 4.4Å; A154-H237 HydrophobicContact CB-CB 4.49Å; A154-H237 PolarHBondContact N-O 3.47Å; A154-H237 PolarHBondContact O-N 3.03Å; A154-I239 HydrophobicContact CB-CD1 4.3Å
155M98Very high96.9Very high0 Ų050.5 Ų50.50%025%0.254CS..EExtended strand (participates in β ladder)trans-137130.1175.1179.1168.5-67.500110.8M134 M138 Y189 F208 L211 R235 V236M134-M155 HydrophobicContact CE-SD 4.06Å; M138-M155 HydrophobicContact CB-CE 3.85Å; M138-M155 HydrophobicContact CB-SD 4.48Å; M138-M155 HydrophobicContact CG-CE 3.67Å; M138-M155 HydrophobicContact SD-CE 3.3Å; M138-M155 WeakPolarHBondContact SD-CE 3.41Å; M138-M155 HydrophobicContact SD-SD 4.3Å; M155-Y189 PolarHBondContact N-O 3.45Å; M155-Y189 PolarHBondContact O-N 3.19Å; M155-F208 HydrophobicContact CB-CD1 3.83Å; M155-F208 HydrophobicContact CB-CE1 3.63Å; M155-F208 HydrophobicContact CB-CZ 4.27Å; M155-F208 HydrophobicContact CE-CB 4.06Å; M155-F208 HydrophobicContact CE-CD1 3.8Å; M155-F208 HydrophobicContact CE-CD2 3.39Å; M155-F208 HydrophobicContact CE-CE1 4.02Å; M155-F208 HydrophobicContact CE-CE2 3.63Å; M155-F208 HydrophobicContact CE-CG 3.47Å; M155-F208 VanDerWaalsContact CE-CG 3.47Å; M155-F208 HydrophobicContact CE-CZ 3.93Å; M155-F208 HydrophobicContact SD-CB 4.21Å; M155-F208 HydrophobicContact SD-CD1 4.14Å; M155-F208 HydrophobicContact SD-CG 4.06Å; M155-L211 HydrophobicContact CB-CD1 4.16Å; M155-L211 HydrophobicContact CG-CD1 3.93Å; M155-L211 HydrophobicContact SD-CD1 3.44Å; M155-L211 WeakPolarHBondContact SD-CD1 3.25Å; M155-R235 VanDerWaalsContact CA-O 3.25Å; M155-R235 WeakPolarHBondContact CA-O 3.48Å; M155-R235 WeakPolarHBondContact CG-O 3.21Å; M155-V236 HydrophobicContact CE-CG2 3.59Å
156D97.2Very high97Very high12 Ų1257.5 Ų57.56%0.06428%0.28CS..EExtended strand (participates in β ladder)trans-115.4172162.987.411.5000111.2V188 P234 R235 H237 V253D156-V188 HydrophobicContact CB-CG2 4.23Å; D156-P234 WeakPolarHBondContact O-CA 3.09Å; D156-R235 PolarHBondContact N-O 3.3Å; D156-R235 VanDerWaalsContact N-O 3.14Å; D156-R235 PolarHBondContact O-N 3.28Å; D156-R235 IonicContact OD1-CZ 3.44Å; D156-R235 IonicContact OD1-NE 3.01Å; D156-R235 PolarHBondContact OD1-NE 2.93Å; D156-R235 IonicContact OD1-NH2 3.69Å; D156-R235 PolarHBondContact OD1-NH2 3.13Å; D156-R235 IonicContact OD2-CZ 3.85Å; D156-R235 IonicContact OD2-NE 3.28Å; D156-R235 IonicContact OD2-NH2 3.15Å; D156-R235 PolarHBondContact OD2-NH2 3.38Å; D156-H237 VanDerWaalsContact CG-NE2 3.27Å; D156-H237 IonicContact OD1-CE1 2.7Å; D156-H237 IonicContact OD1-NE2 2.68Å; D156-H237 PolarHBondContact OD1-NE2 3.01Å; D156-H237 IonicContact OD2-CE1 3.34Å; D156-H237 IonicContact OD2-NE2 3.88Å; D156-V253 HydrophobicContact CB-CG2 4.29Å
157I97.8Very high97.1Very high17 Ų1756.1 Ų56.19%0.08727%0.272CS..EExtended strand (participates in β ladder)trans-138.3108.3-179.2-60.2-177.8000107.4M134 L213 I224 L226 Y232 P234 F269M134-I157 HydrophobicContact SD-CD1 4.29Å; I157-L213 HydrophobicContact CD1-CD2 3.47Å; I157-L213 VanDerWaalsContact CD1-CD2 3.47Å; I157-I224 HydrophobicContact CB-CG2 4.29Å; I157-I224 HydrophobicContact CD1-CD1 3.87Å; I157-I224 HydrophobicContact CD1-CG2 4.31Å; I157-I224 HydrophobicContact CG1-CD1 3.96Å; I157-L226 HydrophobicContact CB-CD2 4.29Å; I157-L226 HydrophobicContact CG2-CD1 4.16Å; I157-L226 HydrophobicContact CG2-CD2 3.82Å; I157-Y232 HydrophobicContact CG2-CD1 4.02Å; I157-Y232 HydrophobicContact CG2-CG 4.01Å; I157-P234 HydrophobicContact CG1-CB 4.31Å; I157-F269 HydrophobicContact CD1-CZ 4.28Å; I157-F269 HydrophobicContact CG2-CZ 4.24Å
158V96.7Very high97.2Very high40 Ų4053.5 Ų53.524%0.24226%0.255CS..EExtended strand (participates in β ladder)trans-102.4148.2-176.4-68.10000111.9Y232 Q233 R235V158-Y232 CarbonylContact O-C 3.58Å; V158-Y232 VanDerWaalsContact O-CA 3.29Å; V158-Y232 WeakPolarHBondContact O-CA 3.31Å; V158-Q233 HydrophobicContact CG2-CB 4.27Å; V158-Q233 PolarHBondContact N-O 3.1Å; V158-Q233 PolarHBondContact O-N 2.88Å; V158-R235 HydrophobicContact CG2-CG 4.15Å
159P97.1Very high97.2Very high88 Ų8851.8 Ų51.857%0.57124%0.243SC*.EExtended strand (participates in β ladder)trans-64.8141.117427.9-34.6000110.9K231 Y232P159-K231 WeakPolarHBondContact CA-O 3.31Å; P159-Y232 HydrophobicContact CB-CD1 4.27Å; P159-Y232 HydrophobicContact CB-CE1 4.09Å
160V97.4Very high97.2Very high71 Ų7157.3 Ų57.343%0.4327%0.268SS..SBendtrans-81.1-35.8177.7173.50000111.5K231 Q233 V268V160-K231 HydrophobicContact CB-CB 3.93Å; V160-K231 HydrophobicContact CG2-CB 4.24Å; V160-K231 PolarHBondContact N-O 2.84Å; V160-Q233 HydrophobicContact CG2-CB 3.9Å; V160-V268 HydrophobicContact CG2-CG1 4.05Å; V160-V268 HydrophobicContact CG2-CG2 4.34Å
161D96.8Very high97.1Very high39 Ų3956.3 Ų56.321%0.20927%0.269CS..SBendtrans-149.4164.7177.858.320.5000111.9K163 Y165D161-K163 HydrophobicContact CB-CD 4.41Å; D161-K163 HydrophobicContact CB-CG 4.43Å; D161-K163 PolarHBondContact O-N 3.49Å; D161-K163 VanDerWaalsContact O-N 3.15Å; D161-Y165 WeakPolarHBondContact OD1-CE2 3.43Å; D161-Y165 PolarHBondContact OD2-OH 2.97Å
162N96.6Very high97.1Very high118 Ų11860 Ų6063%0.63129%0.294SS*.SBendtrans-86.349.2175.6-1703.9000111A180N162-A180 PolarHBondContact O-N 3Å; N162-A180 WeakPolarHBondContact OD1-CB 3.39Å; N162-A180 PolarHBondContact OD1-N 3.49Å
163K97.6Very high97Very high94 Ų9463.7 Ų63.741%0.40931%0.312SS..EExtended strand (participates in β ladder)trans-133.3137.5-174.9-62.6172.8-173.5163.10112.2D161 Y165 V176 G178 H230D161-K163 HydrophobicContact CB-CD 4.41Å; D161-K163 HydrophobicContact CB-CG 4.43Å; D161-K163 PolarHBondContact O-N 3.49Å; D161-K163 VanDerWaalsContact O-N 3.15Å; K163-Y165 HydrophobicContact CB-CE2 3.89Å; K163-Y165 WeakPolarHBondContact O-CD2 3.24Å; K163-V176 HydrophobicContact CB-CG1 4.27Å; K163-V176 HydrophobicContact CD-CG1 4.33Å; K163-V176 HydrophobicContact CD-CG2 3.97Å; K163-V176 HydrophobicContact CG-CG1 4.36Å; K163-G178 WeakPolarHBondContact CA-O 3.32Å; K163-H230 PolarHBondContact O-CD2 3.44Å
164R98.1Very high97Very high108 Ų10866.1 Ų66.141%0.40832%0.321SS..EExtended strand (participates in β ladder)trans-95.3137.8168.8-173.8167.9173.6173.1-2.3109.7A177 G178 N179 D181R164-A177 PolarHBondContact O-N 2.96Å; R164-G178 PolarHBondContact N-O 2.9Å; R164-G178 PolarHBondContact O-N 2.85Å; R164-N179 WeakPolarHBondContact CB-O 3.48Å; R164-N179 PolarHBondContact N-O 3.22Å; R164-D181 IonicContact CZ-OD1 3.6Å; R164-D181 IonicContact CZ-OD2 2.78Å; R164-D181 IonicContact NE-OD2 3.33Å; R164-D181 VanDerWaalsContact NH1-CG 3.26Å; R164-D181 IonicContact NH1-OD1 3.69Å; R164-D181 PolarHBondContact NH1-OD1 2.76Å; R164-D181 IonicContact NH1-OD2 2.69Å; R164-D181 PolarHBondContact NH1-OD2 2.77Å
165Y98.4Very high96.9Very high18 Ų1870.8 Ų70.87%0.07134%0.344CS..EExtended strand (participates in β ladder)trans-110162.2-172.7-74.6-94.2000113.3D161 K163 M175 V176 M229 K231D161-Y165 WeakPolarHBondContact OD1-CE2 3.43Å; D161-Y165 PolarHBondContact OD2-OH 2.97Å; K163-Y165 HydrophobicContact CB-CE2 3.89Å; K163-Y165 WeakPolarHBondContact O-CD2 3.24Å; Y165-M175 CarbonylContact C-O 3.58Å; Y165-M175 WeakPolarHBondContact CA-O 3.36Å; Y165-M175 WeakPolarHBondContact CD1-O 3.35Å; Y165-V176 HydrophobicContact CD1-CG2 4.49Å; Y165-V176 HydrophobicContact CE1-CG2 3.97Å; Y165-M229 WeakPolarHBondContact CB-O 3.5Å; Y165-M229 PolarHBondContact N-O 3.46Å; Y165-M229 WeakPolarHBondContact O-CB 3.38Å; Y165-K231 HydrophobicContact CD2-CD 4.46Å; Y165-K231 HydrophobicContact CD2-CG 4.19Å; Y165-K231 HydrophobicContact CE1-CD 4.38Å; Y165-K231 HydrophobicContact CE2-CB 4.45Å; Y165-K231 HydrophobicContact CE2-CD 3.7Å; Y165-K231 HydrophobicContact CE2-CG 3.82Å; Y165-K231 VanDerWaalsContact CZ-NZ 3.32Å; Y165-K231 WeakPolarHBondContact OH-CE 3.4Å; Y165-K231 PolarHBondContact OH-NZ 3.09Å
166R97.9Very high96.9Very high151 Ų15174.6 Ų74.657%0.5737%0.367SS*.EExtended strand (participates in β ladder)trans-138.3136.7167.5-171.7176.582.6122.6-0.9109.8M175 A177R166-M175 PolarHBondContact N-O 3.1Å; R166-M175 PolarHBondContact O-N 2.89Å; R166-A177 HydrophobicContact CB-CB 4.01Å
167Y98.3Very high96.9Very high8 Ų877.2 Ų77.23%0.03139%0.391CS..EExtended strand (participates in β ladder)trans-82.5135.9170.6-167.4-105.2000110.7Y169 S172 W174 Q276 N277Y167-Y169 AromaticContact CD1-CD1 3.96Å; Y167-Y169 HydrophobicContact CD1-CD1 3.96Å; Y167-Y169 HydrophobicContact CD1-CD2 4.19Å; Y167-Y169 AromaticContact CD1-CE1 3.9Å; Y167-Y169 HydrophobicContact CD1-CE1 3.9Å; Y167-Y169 HydrophobicContact CD1-CE2 4.11Å; Y167-Y169 HydrophobicContact CD1-CG 4.1Å; Y167-Y169 AromaticContact CD1-CZ 3.97Å; Y167-Y169 AromaticContact CE1-CD1 3.98Å; Y167-Y169 HydrophobicContact CE1-CD1 3.98Å; Y167-Y169 HydrophobicContact CE1-CE1 4.17Å; Y167-Y169 HydrophobicContact CE1-CG 4.35Å; Y167-S172 VanDerWaalsContact OH-CA 3.31Å; Y167-S172 WeakPolarHBondContact OH-CA 3.4Å; Y167-S172 WeakPolarHBondContact OH-CB 3.4Å; Y167-S172 PolarHBondContact OH-O 2.7Å; Y167-W174 AromaticContact CD2-CD1 3.94Å; Y167-W174 AromaticContact CD2-CD2 3.85Å; Y167-W174 HydrophobicContact CD2-CD2 3.85Å; Y167-W174 AromaticContact CD2-CE2 3.74Å; Y167-W174 HydrophobicContact CD2-CE3 4.45Å; Y167-W174 HydrophobicContact CD2-CG 4Å; Y167-W174 HydrophobicContact CD2-CZ2 4.26Å; Y167-W174 AromaticContact CD2-NE1 3.77Å; Y167-Q276 HydrophobicContact CD1-CB 3.76Å; Y167-Q276 HydrophobicContact CD2-CB 4.28Å; Y167-Q276 HydrophobicContact CE1-CB 4.48Å; Y167-Q276 HydrophobicContact CG-CB 3.62Å; Y167-Q276 HydrophobicContact CG-CG 4.5Å; Y167-N277 HydrophobicContact CE2-CB 4.02Å
168V97.6Very high96.9Very high6 Ų678 Ų784%0.03640%0.402CS..EExtended strand (participates in β ladder)trans-113.797.2-176.8-177.60000109H170 S171 S172 K173 M175V168-H170 VanDerWaalsContact CG1-CE1 3.47Å; V168-H170 WeakPolarHBondContact CG1-CE1 3.19Å; V168-H170 WeakPolarHBondContact CG1-NE2 3.38Å; V168-H170 PolarHBondContact O-N 3.34Å; V168-S171 WeakPolarHBondContact CG1-OG 3.31Å; V168-S171 CarbonylContact O-C 3.52Å; V168-S171 PolarHBondContact O-N 3.14Å; V168-S171 VanDerWaalsContact O-N 3.16Å; V168-S171 PolarHBondContact O-OG 3.31Å; V168-S172 PolarHBondContact O-N 3.43Å; V168-K173 PolarHBondContact N-O 3.02Å; V168-K173 PolarHBondContact O-N 3.15Å; V168-M175 HydrophobicContact CG2-CB 4.27Å; V168-M175 HydrophobicContact CG2-CE 3.91Å; V168-M175 HydrophobicContact CG2-CG 3.75Å; V168-M175 HydrophobicContact CG2-SD 3.91Å
169Y96.1Very high96.9Very high133 Ų13382.2 Ų82.252%0.52242%0.423SS..G310 helixtrans-58.3-38.4-170.2-69-90.2000114.6Y167 S171 S172 Q276Y167-Y169 AromaticContact CD1-CD1 3.96Å; Y167-Y169 HydrophobicContact CD1-CD1 3.96Å; Y167-Y169 HydrophobicContact CD1-CD2 4.19Å; Y167-Y169 AromaticContact CD1-CE1 3.9Å; Y167-Y169 HydrophobicContact CD1-CE1 3.9Å; Y167-Y169 HydrophobicContact CD1-CE2 4.11Å; Y167-Y169 HydrophobicContact CD1-CG 4.1Å; Y167-Y169 AromaticContact CD1-CZ 3.97Å; Y167-Y169 AromaticContact CE1-CD1 3.98Å; Y167-Y169 HydrophobicContact CE1-CD1 3.98Å; Y167-Y169 HydrophobicContact CE1-CE1 4.17Å; Y167-Y169 HydrophobicContact CE1-CG 4.35Å; Y169-S171 VanDerWaalsContact C-N 3.26Å; Y169-S171 PolarHBondContact O-N 3.16Å; Y169-S172 PolarHBondContact O-N 3.02Å; Y169-Q276 WeakPolarHBondContact CE1-O 3.36Å; Y169-Q276 PolarHBondContact OH-OE1 3.14Å
170H95.1Very high96.8Very high172 Ų17279.2 Ų79.280%0.79641%0.406SS*.G310 helixtrans-74.4-12.7-17864.573.7000114.1V168V168-H170 VanDerWaalsContact CG1-CE1 3.47Å; V168-H170 WeakPolarHBondContact CG1-CE1 3.19Å; V168-H170 WeakPolarHBondContact CG1-NE2 3.38Å; V168-H170 PolarHBondContact O-N 3.34Å
171S94.5Very high96.6Very high47 Ų4778.6 Ų78.633%0.32940%0.401SS..G310 helixtrans-118.52.4174.159.30000112.9V168 Y169 K173V168-S171 WeakPolarHBondContact CG1-OG 3.31Å; V168-S171 CarbonylContact O-C 3.52Å; V168-S171 PolarHBondContact O-N 3.14Å; V168-S171 VanDerWaalsContact O-N 3.16Å; V168-S171 PolarHBondContact O-OG 3.31Å; Y169-S171 VanDerWaalsContact C-N 3.26Å; Y169-S171 PolarHBondContact O-N 3.16Å; S171-K173 VanDerWaalsContact O-CG 3.32Å; S171-K173 WeakPolarHBondContact O-CG 3.48Å; S171-K173 PolarHBondContact O-N 3.28Å
172S95.1Very high96.4Very high77 Ų7781.5 Ų81.554%0.53842%0.424SS..THydrogen-bonded Turntrans47.537.1-174.8-61.30000114.5Y167 V168 Y169Y167-S172 VanDerWaalsContact OH-CA 3.31Å; Y167-S172 WeakPolarHBondContact OH-CA 3.4Å; Y167-S172 WeakPolarHBondContact OH-CB 3.4Å; Y167-S172 PolarHBondContact OH-O 2.7Å; V168-S172 PolarHBondContact O-N 3.43Å; Y169-S172 PolarHBondContact O-N 3.02Å
173K95.1Very high96Very high139 Ų13982 Ų8260%0.60443%0.434SS*.EExtended strand (participates in β ladder)trans-128.4144.6-171.4-79.9168.8-175.6-175.60113.1V168 S171V168-K173 PolarHBondContact N-O 3.02Å; V168-K173 PolarHBondContact O-N 3.15Å; S171-K173 VanDerWaalsContact O-CG 3.32Å; S171-K173 WeakPolarHBondContact O-CG 3.48Å; S171-K173 PolarHBondContact O-N 3.28Å
174W97.3Very high95.7Very high51 Ų5179.1 Ų79.119%0.19342%0.424CS..EExtended strand (participates in β ladder)trans-75.7131.7165.2-73.5102.6000110.3E124 Y167 M229 T270 V272 Q276E124-W174 HydrophobicContact CG-CZ2 4.04Å; Y167-W174 AromaticContact CD2-CD1 3.94Å; Y167-W174 AromaticContact CD2-CD2 3.85Å; Y167-W174 HydrophobicContact CD2-CD2 3.85Å; Y167-W174 AromaticContact CD2-CE2 3.74Å; Y167-W174 HydrophobicContact CD2-CE3 4.45Å; Y167-W174 HydrophobicContact CD2-CG 4Å; Y167-W174 HydrophobicContact CD2-CZ2 4.26Å; Y167-W174 AromaticContact CD2-NE1 3.77Å; W174-M229 HydrophobicContact CH2-CE 3.97Å; W174-M229 HydrophobicContact CH2-SD 4.35Å; W174-M229 HydrophobicContact CZ3-CE 3.65Å; W174-M229 HydrophobicContact CZ3-SD 4.43Å; W174-T270 HydrophobicContact CE3-CG2 4.41Å; W174-T270 HydrophobicContact CH2-CG2 3.67Å; W174-T270 HydrophobicContact CZ2-CG2 4Å; W174-T270 HydrophobicContact CZ3-CG2 3.89Å; W174-V272 HydrophobicContact CH2-CG1 3.8Å; W174-V272 HydrophobicContact CZ2-CG1 4.25Å; W174-Q276 HydrophobicContact CH2-CB 4.36Å; W174-Q276 HydrophobicContact CH2-CG 3.84Å; W174-Q276 HydrophobicContact CZ2-CB 4.23Å; W174-Q276 HydrophobicContact CZ2-CG 4.16Å
175M97.3Very high95.2Very high97 Ų9777.9 Ų77.948%0.47843%0.43SS..EExtended strand (participates in β ladder)trans-126.3155.4171.9-54.4-161.6-25.400110.5Y165 R166 V168Y165-M175 CarbonylContact C-O 3.58Å; Y165-M175 WeakPolarHBondContact CA-O 3.36Å; Y165-M175 WeakPolarHBondContact CD1-O 3.35Å; R166-M175 PolarHBondContact N-O 3.1Å; R166-M175 PolarHBondContact O-N 2.89Å; V168-M175 HydrophobicContact CG2-CB 4.27Å; V168-M175 HydrophobicContact CG2-CE 3.91Å; V168-M175 HydrophobicContact CG2-CG 3.75Å; V168-M175 HydrophobicContact CG2-SD 3.91Å
176V98.1Very high94.8Very high80 Ų8080.3 Ų80.349%0.48545%0.448SS..EExtended strand (participates in β ladder)trans-70.1136.1170.7-178.70000108.8K163 Y165K163-V176 HydrophobicContact CB-CG1 4.27Å; K163-V176 HydrophobicContact CD-CG1 4.33Å; K163-V176 HydrophobicContact CD-CG2 3.97Å; K163-V176 HydrophobicContact CG-CG1 4.36Å; Y165-V176 HydrophobicContact CD1-CG2 4.49Å; Y165-V176 HydrophobicContact CE1-CG2 3.97Å
177A97.1Very high94.6Very high68 Ų6875.1 Ų75.156%0.56243%0.428SS*.EExtended strand (participates in β ladder)trans-110.5-22.8177.900000112.8R164 R166R164-A177 PolarHBondContact O-N 2.96Å; R166-A177 HydrophobicContact CB-CB 4.01Å
178G96.8Very high94.5Very high32 Ų3275 Ų7533%0.3343%0.429SS..EExtended strand (participates in β ladder)trans171.6-167.1176.800000112.1K163 R164K163-G178 WeakPolarHBondContact CA-O 3.32Å; R164-G178 PolarHBondContact N-O 2.9Å; R164-G178 PolarHBondContact O-N 2.85Å
179N96.3Very high94.5Very high129 Ų12976.8 Ų76.869%0.6944%0.435SS*.EExtended strand (participates in β ladder)trans-60.3161.5166.9-6169.2000111.3R164R164-N179 WeakPolarHBondContact CB-O 3.48Å; R164-N179 PolarHBondContact N-O 3.22Å
180A95Very high94.5Very high26 Ų2673.1 Ų73.122%0.21542%0.423CS..PPolyproline II helixtrans-70.6158.6173.700000112.7N162 H230N162-A180 PolarHBondContact O-N 3Å; N162-A180 WeakPolarHBondContact OD1-CB 3.39Å; N162-A180 PolarHBondContact OD1-N 3.49Å; A180-H230 VanDerWaalsContact CA-NE2 3.26Å; A180-H230 WeakPolarHBondContact CA-NE2 3.46Å; A180-H230 WeakPolarHBondContact CB-NE2 3.43Å
181D92.9Very high94.7Very high58 Ų5865.4 Ų65.431%0.3139%0.388SS..PPolyproline II helixtrans-71.6154.7166.6-58.2-33000110.1R164 H230R164-D181 IonicContact CZ-OD1 3.6Å; R164-D181 IonicContact CZ-OD2 2.78Å; R164-D181 IonicContact NE-OD2 3.33Å; R164-D181 VanDerWaalsContact NH1-CG 3.26Å; R164-D181 IonicContact NH1-OD1 3.69Å; R164-D181 PolarHBondContact NH1-OD1 2.76Å; R164-D181 IonicContact NH1-OD2 2.69Å; R164-D181 PolarHBondContact NH1-OD2 2.77Å; D181-H230 PolarHBondContact N-NE2 3.32Å; D181-H230 VanDerWaalsContact N-NE2 3.13Å; D181-H230 IonicContact OD2-CE1 3.97Å; D181-H230 PolarHBondContact OD2-CE1 3.27Å; D181-H230 VanDerWaalsContact OD2-CE1 3.29Å
182S92.7Very high94.8Very high100 Ų10066.5 Ų66.570%0.69939%0.394SS*.PPolyproline II helixtrans-51.5139.7-172.4-60.70000113.9V184 H227S182-V184 PolarHBondContact O-N 2.84Å; S182-H227 PolarHBondContact O-CD2 3.32Å; S182-H227 PolarHBondContact O-NE2 2.83Å
183P89.4Confident94.8Very high128 Ų12866.7 Ų66.783%0.83139%0.389SS*.PPolyproline II helixtrans-61.6130.4-175.125.5-34.7000112.2
184V89.8Confident94.9Very high33 Ų3361.3 Ų61.320%0.237%0.369CS..PPolyproline II helixtrans-73.9154.5176.9-64.10000111.6S182 I225S182-V184 PolarHBondContact O-N 2.84Å; V184-I225 HydrophobicContact CB-CG2 4.2Å; V184-I225 HydrophobicContact CG1-CG2 3.91Å
185P88.8Confident94.8Very high83 Ų8361.5 Ų61.554%0.53937%0.373SS..PPolyproline II helixtrans-54.4129.1172.8-26.835.8000111.8R187P185-R187 PolarHBondContact O-N 2.8Å
186P89.1Confident94.9Very high68 Ų6857.5 Ų57.544%0.44236%0.356SS..PPolyproline II helixtrans-56.7136.8-179.8-27.835.9000112.9N250 P252P186-N250 CarbonylContact O-C 3.56Å; P186-P252 HydrophobicContact CB-CG 4.12Å; P186-P252 HydrophobicContact CG-CG 4.03Å
187R94.7Very high94.8Very high42 Ų4255 Ų5516%0.15834%0.342CS..  trans-134.5138.1175.6-72.6-170.3175.3-163.5-5.9112.4P185 D219 H223 I225 A249P185-R187 PolarHBondContact O-N 2.8Å; R187-D219 VanDerWaalsContact CZ-O 3.28Å; R187-D219 PolarHBondContact NH1-O 2.97Å; R187-D219 IonicContact NH1-OD2 2.7Å; R187-D219 PolarHBondContact NH1-OD2 2.8Å; R187-D219 PolarHBondContact NH2-O 3.12Å; R187-H223 WeakPolarHBondContact CD-O 3.38Å; R187-H223 PolarHBondContact NH1-O 3.29Å; R187-I225 VanDerWaalsContact CZ-CD1 3.45Å; R187-A249 VanDerWaalsContact CA-O 3.31Å; R187-A249 WeakPolarHBondContact CA-O 3.48Å
188V95.9Very high94.8Very high7 Ų751.8 Ų51.84%0.04232%0.315CS..  trans-123.8118.5-175.3177.60000108.7A154 D156 I190 L247 A249 K251 V253A154-V188 HydrophobicContact CB-CG1 3.7Å; D156-V188 HydrophobicContact CB-CG2 4.23Å; V188-I190 HydrophobicContact CG1-CG1 4.35Å; V188-I190 PolarHBondContact O-N 2.96Å; V188-L247 HydrophobicContact CG1-CD1 4.34Å; V188-A249 PolarHBondContact N-O 2.96Å; V188-A249 WeakPolarHBondContact O-CA 3.47Å; V188-K251 WeakPolarHBondContact CG2-O 3.26Å; V188-V253 HydrophobicContact CB-CG2 4.37Å; V188-V253 HydrophobicContact CG1-CG2 3.88Å; V188-V253 HydrophobicContact CG2-CG2 3.5Å
189Y97.4Very high94.8Very high43 Ų4353.4 Ų53.417%0.16932%0.316CS..EExtended strand (participates in β ladder)trans-83106.8172-179.8-91.1000109.3A154 M155 F208 K210 L211A154-Y189 CarbonylContact C-O 3.57Å; A154-Y189 VanDerWaalsContact CA-O 3.29Å; A154-Y189 WeakPolarHBondContact CA-O 3.38Å; M155-Y189 PolarHBondContact N-O 3.45Å; M155-Y189 PolarHBondContact O-N 3.19Å; Y189-F208 AromaticContact CD1-CD1 3.73Å; Y189-F208 HydrophobicContact CD1-CD1 3.73Å; Y189-F208 HydrophobicContact CD1-CE1 4.25Å; Y189-F208 AromaticContact CE1-CD1 3.89Å; Y189-F208 HydrophobicContact CE1-CD1 3.89Å; Y189-K210 WeakPolarHBondContact OH-CB 3.48Å; Y189-L211 HydrophobicContact CD1-CB 4.17Å; Y189-L211 HydrophobicContact CD1-CD1 3.9Å; Y189-L211 HydrophobicContact CD1-CG 4.21Å; Y189-L211 HydrophobicContact CD2-CB 4.11Å; Y189-L211 HydrophobicContact CD2-CG 4.02Å; Y189-L211 HydrophobicContact CE1-CB 4.27Å; Y189-L211 HydrophobicContact CE2-CB 4.24Å; Y189-L211 HydrophobicContact CG-CB 4.08Å; Y189-L211 HydrophobicContact CG-CD1 3.78Å; Y189-L211 HydrophobicContact CG-CG 3.78Å
190I97.1Very high94.9Very high55 Ų5549.5 Ų49.528%0.28230%0.297SS..EExtended strand (participates in β ladder)trans-81.1131.2172.3-56.7175000108.2Y152 A154 V188 L247Y152-I190 HydrophobicContact CD1-CG2 4.36Å; A154-I190 HydrophobicContact CB-CG1 4.4Å; V188-I190 HydrophobicContact CG1-CG1 4.35Å; V188-I190 PolarHBondContact O-N 2.96Å; I190-L247 HydrophobicContact CD1-CD1 4.28Å; I190-L247 HydrophobicContact CD1-CD2 4.1Å; I190-L247 HydrophobicContact CD1-CG 3.95Å
191H97.6Very high95.1Very high11 Ų1148.6 Ų48.65%0.05129%0.288CS..  trans-64.8131.7178.1-168.9-91.5000109.5I153 D193 S194 W201 S207 F208I153-H191 HydrophobicContact CB-CB 4.38Å; I153-H191 VanDerWaalsContact O-CB 3.31Å; I153-H191 WeakPolarHBondContact O-CB 3.39Å; I153-H191 PolarHBondContact O-N 3.04Å; H191-D193 IonicContact CE1-OD1 3.31Å; H191-D193 IonicContact CE1-OD2 3.03Å; H191-D193 PolarHBondContact CE1-OD2 2.99Å; H191-D193 VanDerWaalsContact CE1-OD2 3.31Å; H191-D193 PolarHBondContact ND1-N 2.83Å; H191-D193 IonicContact ND1-OD2 3.29Å; H191-D193 PolarHBondContact O-N 2.78Å; H191-D193 VanDerWaalsContact O-N 3.07Å; H191-S194 VanDerWaalsContact O-CB 3.24Å; H191-S194 WeakPolarHBondContact O-CB 3.35Å; H191-S194 PolarHBondContact O-N 3.02Å; H191-S194 PolarHBondContact O-OG 3.07Å; H191-W201 HydrophobicContact CB-CH2 4.15Å; H191-W201 AromaticContact ND1-CH2 3.5Å; H191-W201 WeakPolarHBondContact ND1-CH2 3.44Å; H191-W201 AromaticContact ND1-CZ3 3.5Å; H191-S207 PolarHBondContact NE2-O 3.43Å; H191-F208 HydrophobicContact CB-CE1 4.41Å
192P96.8Very high95.3Very high70 Ų7048.3 Ų48.346%0.45529%0.285SS..THydrogen-bonded Turntrans-62.9-21.9-169.524.1-35.3000114.1S194 K210P192-S194 PolarHBondContact O-N 3.29Å; P192-K210 HydrophobicContact CG-CD 4.24Å
193D96.6Very high95.5Very high81 Ų8151 Ų5143%0.43328%0.28SS..THydrogen-bonded Turntrans-84.41.8178.8-48.7-3.1000112H191 W201H191-D193 IonicContact CE1-OD1 3.31Å; H191-D193 IonicContact CE1-OD2 3.03Å; H191-D193 PolarHBondContact CE1-OD2 2.99Å; H191-D193 VanDerWaalsContact CE1-OD2 3.31Å; H191-D193 PolarHBondContact ND1-N 2.83Å; H191-D193 IonicContact ND1-OD2 3.29Å; H191-D193 PolarHBondContact O-N 2.78Å; H191-D193 VanDerWaalsContact O-N 3.07Å; D193-W201 HydrophobicContact CB-CH2 4.02Å; D193-W201 HydrophobicContact CB-CZ3 4.21Å
194S95.9Very high95.9Very high26 Ų2651 Ų5118%0.18227%0.269CS..  trans-76.5134.9168.2-48.90000109.6I153 H191 P192I153-S194 PolarHBondContact N-OG 3.05Å; I153-S194 VanDerWaalsContact N-OG 3.12Å; I153-S194 PolarHBondContact O-OG 2.9Å; H191-S194 VanDerWaalsContact O-CB 3.24Å; H191-S194 WeakPolarHBondContact O-CB 3.35Å; H191-S194 PolarHBondContact O-N 3.02Å; H191-S194 PolarHBondContact O-OG 3.07Å; P192-S194 PolarHBondContact O-N 3.29Å
195L96.4Very high96.3Very high55 Ų5552.3 Ų52.329%0.28828%0.277SS..SBendcis-95.6128.310.4175.761000112.5Q150 Y151 Y152 K241Q150-L195 HydrophobicContact CB-CD1 3.65Å; Q150-L195 HydrophobicContact CB-CD2 4.27Å; Q150-L195 HydrophobicContact CB-CG 3.97Å; Y151-L195 VanDerWaalsContact C-CD1 3.46Å; Y151-L195 WeakPolarHBondContact O-CD1 3.3Å; Y152-L195 HydrophobicContact CD2-CD1 3.78Å; Y152-L195 HydrophobicContact CE1-CB 4.08Å; Y152-L195 HydrophobicContact CE2-CB 4.4Å; Y152-L195 HydrophobicContact CE2-CD1 3.69Å; Y152-L195 HydrophobicContact CE2-CD2 4.18Å; Y152-L195 HydrophobicContact CE2-CG 4.31Å; Y152-L195 HydrophobicContact CG-CD1 4.29Å; L195-K241 HydrophobicContact CD1-CB 4.25Å; L195-K241 HydrophobicContact CD1-CG 4.48Å; L195-K241 HydrophobicContact CD2-CB 4.44Å; L195-K241 HydrophobicContact CD2-CD 3.81Å; L195-K241 HydrophobicContact CD2-CG 3.81Å
196A97.6Very high96.7Very high13 Ų1348.6 Ų48.611%0.10725%0.253CS..EExtended strand (participates in β ladder)trans-134.9164.8179.100000112.9Q150 Y151 T200 W201Q150-A196 CarbonylContact C-O 3.52Å; Q150-A196 WeakPolarHBondContact CA-O 3.46Å; Y151-A196 PolarHBondContact N-O 3.44Å; Y151-A196 PolarHBondContact O-N 2.95Å; A196-T200 HydrophobicContact CB-CG2 3.77Å; A196-W201 HydrophobicContact CB-CD2 4.43Å; A196-W201 HydrophobicContact CB-CZ2 4.14Å; A196-W201 PolarHBondContact O-NE1 2.93Å
197S97.5Very high97.2Very high27 Ų2746.3 Ų46.319%0.18924%0.239CC..EExtended strand (participates in β ladder)trans-73.4157.9178.168.80000112.7P147 Q149 D199 T200 W201P147-S197 WeakPolarHBondContact O-CB 3.38Å; Q149-S197 CarbonylContact O-C 3.57Å; Q149-S197 VanDerWaalsContact O-CA 3.32Å; Q149-S197 WeakPolarHBondContact O-CA 3.44Å; S197-D199 VanDerWaalsContact C-N 3.3Å; S197-D199 PolarHBondContact O-N 3.38Å; S197-T200 WeakPolarHBondContact O-CA 3.44Å; S197-T200 WeakPolarHBondContact O-CB 3.46Å; S197-T200 PolarHBondContact O-N 2.96Å; S197-T200 PolarHBondContact OG-N 3.5Å; S197-T200 PolarHBondContact OG-OG1 3.1Å; S197-W201 VanDerWaalsContact O-CD1 3.22Å; S197-W201 PolarHBondContact O-N 3.15Å; S197-W201 VanDerWaalsContact O-N 3.1Å
198G96.8Very high97.3Very high0 Ų044.4 Ų44.40%023%0.231CC..Hα-helixtrans-57.7-41.2176.300000112.9D146 Q149 T200 W201 M202D146-G198 VanDerWaalsContact O-CA 3.27Å; D146-G198 WeakPolarHBondContact O-CA 3.27Å; Q149-G198 PolarHBondContact O-N 2.7Å; G198-T200 VanDerWaalsContact C-N 3.29Å; G198-T200 PolarHBondContact O-N 3.16Å; G198-W201 PolarHBondContact O-N 2.94Å; G198-W201 VanDerWaalsContact O-N 3.13Å; G198-M202 WeakPolarHBondContact O-CG 3.49Å; G198-M202 PolarHBondContact O-N 3.22Å
199D97.4Very high97.4Very high66 Ų6646.4 Ų46.435%0.35324%0.242SC..Hα-helixtrans-57-44.4172.7-176.765.5000111.3P147 S197 W201 M202 R203P147-D199 HydrophobicContact CB-CB 4.11Å; P147-D199 PolarHBondContact O-N 2.91Å; S197-D199 VanDerWaalsContact C-N 3.3Å; S197-D199 PolarHBondContact O-N 3.38Å; D199-W201 VanDerWaalsContact C-N 3.27Å; D199-W201 PolarHBondContact O-N 2.84Å; D199-M202 PolarHBondContact O-N 2.94Å; D199-M202 VanDerWaalsContact O-N 3.12Å; D199-R203 VanDerWaalsContact O-CG 3.31Å; D199-R203 WeakPolarHBondContact O-CG 3.46Å; D199-R203 PolarHBondContact O-N 2.92Å; D199-R203 IonicContact OD2-CZ 3.52Å; D199-R203 IonicContact OD2-NE 2.74Å; D199-R203 IonicContact OD2-NH1 3.72Å; D199-R203 PolarHBondContact OD2-NH1 2.79Å
200T97.8Very high97.3Very high47 Ų4749.6 Ų49.629%0.28826%0.257SS..Hα-helixtrans-61.4-34.5178.6-60.70000113.1A196 S197 G198 R203A196-T200 HydrophobicContact CB-CG2 3.77Å; S197-T200 WeakPolarHBondContact O-CA 3.44Å; S197-T200 WeakPolarHBondContact O-CB 3.46Å; S197-T200 PolarHBondContact O-N 2.96Å; S197-T200 PolarHBondContact OG-N 3.5Å; S197-T200 PolarHBondContact OG-OG1 3.1Å; G198-T200 VanDerWaalsContact C-N 3.29Å; G198-T200 PolarHBondContact O-N 3.16Å; T200-R203 PolarHBondContact OG1-NH1 3.46Å; T200-R203 PolarHBondContact OG1-NH2 3.39Å
201W97.9Very high97.4Very high8 Ų847 Ų473%0.0324%0.244CC..Hα-helixtrans-78.3-29.6175.3-67.7124000113.8L145 Y151 I153 H191 D193 A196 S197 G198 D199 V206L145-W201 HydrophobicContact CD1-CB 3.64Å; L145-W201 HydrophobicContact CD1-CG 4.37Å; Y151-W201 PolarHBondContact O-NE1 3.2Å; I153-W201 HydrophobicContact CB-CH2 4.04Å; I153-W201 HydrophobicContact CB-CZ2 4.02Å; I153-W201 HydrophobicContact CB-CZ3 4.43Å; I153-W201 HydrophobicContact CD1-CB 4.13Å; I153-W201 HydrophobicContact CD1-CD2 3.36Å; I153-W201 HydrophobicContact CD1-CE3 3.57Å; I153-W201 HydrophobicContact CD1-CG 3.66Å; I153-W201 HydrophobicContact CD1-CH2 4.31Å; I153-W201 HydrophobicContact CD1-CZ2 4.16Å; I153-W201 HydrophobicContact CD1-CZ3 4.05Å; I153-W201 HydrophobicContact CG1-CD2 3.92Å; I153-W201 HydrophobicContact CG1-CE3 4.3Å; I153-W201 HydrophobicContact CG1-CG 4.36Å; I153-W201 HydrophobicContact CG1-CH2 4.21Å; I153-W201 HydrophobicContact CG1-CZ2 3.83Å; I153-W201 HydrophobicContact CG1-CZ3 4.44Å; H191-W201 HydrophobicContact CB-CH2 4.15Å; H191-W201 AromaticContact ND1-CH2 3.5Å; H191-W201 WeakPolarHBondContact ND1-CH2 3.44Å; H191-W201 AromaticContact ND1-CZ3 3.5Å; D193-W201 HydrophobicContact CB-CH2 4.02Å; D193-W201 HydrophobicContact CB-CZ3 4.21Å; A196-W201 HydrophobicContact CB-CD2 4.43Å; A196-W201 HydrophobicContact CB-CZ2 4.14Å; A196-W201 PolarHBondContact O-NE1 2.93Å; S197-W201 VanDerWaalsContact O-CD1 3.22Å; S197-W201 PolarHBondContact O-N 3.15Å; S197-W201 VanDerWaalsContact O-N 3.1Å; G198-W201 PolarHBondContact O-N 2.94Å; G198-W201 VanDerWaalsContact O-N 3.13Å; D199-W201 VanDerWaalsContact C-N 3.27Å; D199-W201 PolarHBondContact O-N 2.84Å; W201-V206 HydrophobicContact CE3-CG2 3.74Å; W201-V206 HydrophobicContact CZ3-CG1 4.12Å; W201-V206 HydrophobicContact CZ3-CG2 4.14Å
202M97.8Very high97.4Very high52 Ų5249.8 Ų49.826%0.25626%0.255SS..Hα-helixtrans-81.3-26178.4-66-171-66.500113.2I142 L145 P147 G198 D199 Q204I142-M202 WeakPolarHBondContact O-CG 3.47Å; L145-M202 HydrophobicContact CB-CE 4.12Å; L145-M202 HydrophobicContact CB-CG 4.23Å; L145-M202 HydrophobicContact CB-SD 3.94Å; L145-M202 HydrophobicContact CD1-CG 4.12Å; L145-M202 HydrophobicContact CG-CG 4.3Å; L145-M202 HydrophobicContact CG-SD 4.45Å; L145-M202 PolarHBondContact N-SD 3.47Å; L145-M202 WeakPolarHBondContact O-CE 3.01Å; P147-M202 HydrophobicContact CG-CE 4.45Å; G198-M202 WeakPolarHBondContact O-CG 3.49Å; G198-M202 PolarHBondContact O-N 3.22Å; D199-M202 PolarHBondContact O-N 2.94Å; D199-M202 VanDerWaalsContact O-N 3.12Å; M202-Q204 PolarHBondContact O-N 3.35Å
203R97.6Very high97.5Very high155 Ų15546.5 Ų46.559%0.58523%0.234SC*.SBendtrans-60.5-23-179.7-78-172.3-42.6-1082.4114.9D199 T200D199-R203 VanDerWaalsContact O-CG 3.31Å; D199-R203 WeakPolarHBondContact O-CG 3.46Å; D199-R203 PolarHBondContact O-N 2.92Å; D199-R203 IonicContact OD2-CZ 3.52Å; D199-R203 IonicContact OD2-NE 2.74Å; D199-R203 IonicContact OD2-NH1 3.72Å; D199-R203 PolarHBondContact OD2-NH1 2.79Å; T200-R203 PolarHBondContact OG1-NH1 3.46Å; T200-R203 PolarHBondContact OG1-NH2 3.39Å
204Q96.9Very high97.6Very high130 Ų13042.6 Ų42.661%0.60721%0.213SC*.SBendtrans-154.4169.2-179.366.2175.8-2.900114.2M202 V206M202-Q204 PolarHBondContact O-N 3.35Å; Q204-V206 PolarHBondContact O-N 3.38Å
205V98.1Very high97.6Very high59 Ų5944.9 Ų44.936%0.35822%0.223SC..  trans-71.1123.5175.5173.20000111.2Q110 R139 V140 K141Q110-V205 HydrophobicContact CB-CG1 4.26Å; Q110-V205 HydrophobicContact CG-CG1 3.79Å; Q110-V205 HydrophobicContact CG-CG2 3.88Å; R139-V205 HydrophobicContact CB-CG1 3.87Å; R139-V205 HydrophobicContact CG-CG1 4.44Å; V140-V205 CarbonylContact O-C 3.6Å; V140-V205 WeakPolarHBondContact O-CA 3.38Å; K141-V205 HydrophobicContact CB-CG2 4.39Å
206V98.4Very high97.6Very high6 Ų644 Ų444%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-77.1136.1174.8-174.10000109.9R139 V140 I142 I153 W201 Q204 F208R139-V206 VanDerWaalsContact CA-O 3.27Å; R139-V206 WeakPolarHBondContact CA-O 3.38Å; V140-V206 HydrophobicContact CG2-CB 4.08Å; V140-V206 PolarHBondContact N-O 3.43Å; V140-V206 PolarHBondContact O-N 3.01Å; I142-V206 HydrophobicContact CD1-CG2 3.91Å; I153-V206 HydrophobicContact CD1-CG2 4.27Å; I153-V206 HydrophobicContact CG2-CG1 4.32Å; W201-V206 HydrophobicContact CE3-CG2 3.74Å; W201-V206 HydrophobicContact CZ3-CG1 4.12Å; W201-V206 HydrophobicContact CZ3-CG2 4.14Å; Q204-V206 PolarHBondContact O-N 3.38Å; V206-F208 HydrophobicContact CG1-CE2 4.19Å; V206-F208 HydrophobicContact CG1-CZ 4.38Å
207S98Very high97.5Very high20 Ų2049 Ų4914%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-130.6112.5-167.6-177.50000113.4R139 H191 D209R139-S207 PolarHBondContact NE-OG 3.12Å; R139-S207 PolarHBondContact NH2-OG 3.47Å; H191-S207 PolarHBondContact NE2-O 3.43Å; S207-D209 PolarHBondContact O-N 3.39Å; S207-D209 PolarHBondContact OG-OD1 2.86Å
208F98.2Very high97.3Very high1 Ų155.1 Ų55.10%0.00427%0.27CS..  trans-87.729.6177.1-60-90.7000112.5M138 V140 I153 M155 Y189 H191 V206 K210 L211 V236M138-F208 HydrophobicContact CB-CB 4.47Å; M138-F208 PolarHBondContact O-N 2.91Å; V140-F208 HydrophobicContact CG2-CE2 4.26Å; I153-F208 HydrophobicContact CG2-CE1 4.47Å; I153-F208 HydrophobicContact CG2-CZ 3.76Å; M155-F208 HydrophobicContact CB-CD1 3.83Å; M155-F208 HydrophobicContact CB-CE1 3.63Å; M155-F208 HydrophobicContact CB-CZ 4.27Å; M155-F208 HydrophobicContact CE-CB 4.06Å; M155-F208 HydrophobicContact CE-CD1 3.8Å; M155-F208 HydrophobicContact CE-CD2 3.39Å; M155-F208 HydrophobicContact CE-CE1 4.02Å; M155-F208 HydrophobicContact CE-CE2 3.63Å; M155-F208 HydrophobicContact CE-CG 3.47Å; M155-F208 VanDerWaalsContact CE-CG 3.47Å; M155-F208 HydrophobicContact CE-CZ 3.93Å; M155-F208 HydrophobicContact SD-CB 4.21Å; M155-F208 HydrophobicContact SD-CD1 4.14Å; M155-F208 HydrophobicContact SD-CG 4.06Å; Y189-F208 AromaticContact CD1-CD1 3.73Å; Y189-F208 HydrophobicContact CD1-CD1 3.73Å; Y189-F208 HydrophobicContact CD1-CE1 4.25Å; Y189-F208 AromaticContact CE1-CD1 3.89Å; Y189-F208 HydrophobicContact CE1-CD1 3.89Å; H191-F208 HydrophobicContact CB-CE1 4.41Å; V206-F208 HydrophobicContact CG1-CE2 4.19Å; V206-F208 HydrophobicContact CG1-CZ 4.38Å; F208-K210 VanDerWaalsContact C-N 3.26Å; F208-K210 PolarHBondContact O-N 2.86Å; F208-L211 HydrophobicContact CB-CB 4.43Å; F208-L211 HydrophobicContact CB-CD1 4.4Å; F208-L211 VanDerWaalsContact O-CB 3.25Å; F208-L211 WeakPolarHBondContact O-CB 3.29Å; F208-L211 PolarHBondContact O-N 2.82Å; F208-V236 HydrophobicContact CE2-CG2 4.13Å; F208-V236 HydrophobicContact CZ-CG1 4.35Å; F208-V236 HydrophobicContact CZ-CG2 4.41Å
209D96.6Very high97.2Very high50 Ų5055.3 Ų55.327%0.26727%0.271SS..THydrogen-bonded Turntrans-71.9-17.7-176.672.8-79.9000113.9R133 A137 S207R133-D209 WeakPolarHBondContact CD-O 3.1Å; R133-D209 WeakPolarHBondContact CG-O 3.4Å; R133-D209 VanDerWaalsContact CZ-O 3.28Å; R133-D209 PolarHBondContact NE-O 3.12Å; R133-D209 PolarHBondContact NH1-O 2.97Å; R133-D209 IonicContact NH1-OD2 3.71Å; R133-D209 PolarHBondContact NH1-OD2 3.28Å; A137-D209 HydrophobicContact CB-CB 3.82Å; S207-D209 PolarHBondContact O-N 3.39Å; S207-D209 PolarHBondContact OG-OD1 2.86Å
210K96.9Very high97Very high110 Ų11058.7 Ų58.748%0.47829%0.289SS..THydrogen-bonded Turntrans-79.7-20.6173.8-67.4169.6-1751670112.6Y189 P192 F208Y189-K210 WeakPolarHBondContact OH-CB 3.48Å; P192-K210 HydrophobicContact CG-CD 4.24Å; F208-K210 VanDerWaalsContact C-N 3.26Å; F208-K210 PolarHBondContact O-N 2.86Å
211L98.1Very high96.8Very high1 Ų162.5 Ų62.51%0.00530%0.303CS..  trans-62.8135.6-179.9-171167.4000110.6R133 M134 M155 Y189 F208 L213 I224R133-L211 WeakPolarHBondContact CA-O 3.38Å; M134-L211 HydrophobicContact CE-CD1 4.23Å; M134-L211 HydrophobicContact CE-CD2 4.09Å; M155-L211 HydrophobicContact CB-CD1 4.16Å; M155-L211 HydrophobicContact CG-CD1 3.93Å; M155-L211 HydrophobicContact SD-CD1 3.44Å; M155-L211 WeakPolarHBondContact SD-CD1 3.25Å; Y189-L211 HydrophobicContact CD1-CB 4.17Å; Y189-L211 HydrophobicContact CD1-CD1 3.9Å; Y189-L211 HydrophobicContact CD1-CG 4.21Å; Y189-L211 HydrophobicContact CD2-CB 4.11Å; Y189-L211 HydrophobicContact CD2-CG 4.02Å; Y189-L211 HydrophobicContact CE1-CB 4.27Å; Y189-L211 HydrophobicContact CE2-CB 4.24Å; Y189-L211 HydrophobicContact CG-CB 4.08Å; Y189-L211 HydrophobicContact CG-CD1 3.78Å; Y189-L211 HydrophobicContact CG-CG 3.78Å; F208-L211 HydrophobicContact CB-CB 4.43Å; F208-L211 HydrophobicContact CB-CD1 4.4Å; F208-L211 VanDerWaalsContact O-CB 3.25Å; F208-L211 WeakPolarHBondContact O-CB 3.29Å; F208-L211 PolarHBondContact O-N 2.82Å; L211-L213 HydrophobicContact CD2-CD2 3.69Å; L211-I224 HydrophobicContact CD1-CD1 4.01Å; L211-I224 HydrophobicContact CD2-CD1 4.04Å; L211-I224 HydrophobicContact CD2-CG1 4.41Å; L211-I224 HydrophobicContact CG-CD1 4.2Å
212K98.2Very high96.5Very high68 Ų6864 Ų6430%0.29632%0.322SS..EExtended strand (participates in β ladder)trans-123.8145.5178.4-75168.3161-164.60112.1A130 R132 R133 H223 I224A130-K212 PolarHBondContact O-NZ 3.13Å; R132-K212 CarbonylContact O-C 3.58Å; R132-K212 WeakPolarHBondContact O-CA 3.31Å; R133-K212 HydrophobicContact CG-CG 4.08Å; K212-H223 HydrophobicContact CB-CB 4.41Å; K212-H223 WeakPolarHBondContact CD-CD2 3.42Å; K212-H223 WeakPolarHBondContact CD-NE2 3.23Å; K212-H223 PolarHBondContact NZ-NE2 2.97Å; K212-I224 PolarHBondContact O-N 2.85Å; K212-I224 VanDerWaalsContact O-N 3.07Å
213L98.5Very high96.5Very high1 Ų162.6 Ų62.61%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-105.1132.2174.2-49.8-178.1000110.2M125 I127 G131 R132 M134 I157 L211 I224 L226 F269M125-L213 HydrophobicContact CB-CD1 3.98Å; M125-L213 HydrophobicContact CG-CD1 4.46Å; I127-L213 HydrophobicContact CG2-CB 3.76Å; I127-L213 HydrophobicContact CG2-CD1 4.39Å; G131-L213 CarbonylContact C-O 3.41Å; G131-L213 WeakPolarHBondContact CA-O 3.48Å; R132-L213 PolarHBondContact N-O 2.88Å; R132-L213 PolarHBondContact O-N 3.49Å; M134-L213 HydrophobicContact CG-CD1 3.71Å; M134-L213 HydrophobicContact CG-CD2 4.3Å; M134-L213 HydrophobicContact CG-CG 3.91Å; M134-L213 HydrophobicContact SD-CD1 4.16Å; M134-L213 HydrophobicContact SD-CD2 4.33Å; M134-L213 HydrophobicContact SD-CG 4.5Å; I157-L213 HydrophobicContact CD1-CD2 3.47Å; I157-L213 VanDerWaalsContact CD1-CD2 3.47Å; L211-L213 HydrophobicContact CD2-CD2 3.69Å; L213-I224 CarbonylContact C-O 3.59Å; L213-I224 WeakPolarHBondContact CA-O 3.45Å; L213-I224 HydrophobicContact CD2-CB 4.22Å; L213-L226 HydrophobicContact CB-CD1 4.37Å; L213-L226 HydrophobicContact CD1-CD1 4.02Å; L213-L226 HydrophobicContact CD2-CD1 3.89Å; L213-L226 HydrophobicContact CG-CD1 4.31Å; L213-F269 HydrophobicContact CD1-CE2 4.06Å; L213-F269 HydrophobicContact CD1-CZ 3.75Å
214T98.3Very high96.4Very high0 Ų055.5 Ų55.50%029%0.288CS..EExtended strand (participates in β ladder)trans-124.8154.8-179.7-170.20000111.9T128 K129 N216 D219 H223 I224 I225 L226T128-T214 WeakPolarHBondContact O-CA 3.49Å; T128-T214 PolarHBondContact O-OG1 3.13Å; T128-T214 VanDerWaalsContact O-OG1 3.08Å; K129-T214 PolarHBondContact O-OG1 3.44Å; T214-N216 WeakPolarHBondContact OG1-CB 3.35Å; T214-N216 PolarHBondContact OG1-N 2.9Å; T214-D219 HydrophobicContact CG2-CB 3.84Å; T214-H223 HydrophobicContact CG2-CB 3.78Å; T214-I224 PolarHBondContact N-O 3.26Å; T214-I225 HydrophobicContact CG2-CB 4.24Å; T214-I225 HydrophobicContact CG2-CG1 3.77Å; T214-I225 WeakPolarHBondContact O-CA 3.47Å; T214-L226 PolarHBondContact O-N 2.8Å
215N97.2Very high96.5Very high73 Ų7349.6 Ų49.639%0.3926%0.26SS..  trans-105.111.3169.880.1-78.1000112.3I127 T128 K129I127-N215 HydrophobicContact CB-CB 4.4Å; I127-N215 HydrophobicContact CD1-CB 3.62Å; I127-N215 HydrophobicContact CG1-CB 3.92Å; T128-N215 WeakPolarHBondContact CA-OD1 3.42Å; K129-N215 PolarHBondContact N-OD1 2.73Å
216N96.6Very high96.5Very high36 Ų3647 Ų4719%0.19324%0.244CC..  trans-93.4108.3177.8-177.729.4000109.7K129 T214 L218 D219 I225K129-N216 HydrophobicContact CG-CB 4.13Å; T214-N216 WeakPolarHBondContact OG1-CB 3.35Å; T214-N216 PolarHBondContact OG1-N 2.9Å; N216-L218 VanDerWaalsContact ND2-C 3.27Å; N216-L218 PolarHBondContact ND2-O 2.94Å; N216-L218 PolarHBondContact O-N 2.85Å; N216-L218 PolarHBondContact OD1-N 2.9Å; N216-D219 HydrophobicContact CB-CB 4.21Å; N216-D219 WeakPolarHBondContact ND2-CA 3.29Å; N216-D219 PolarHBondContact ND2-N 3.22Å; N216-D219 VanDerWaalsContact O-CB 3.32Å; N216-D219 WeakPolarHBondContact O-CB 3.31Å; N216-D219 PolarHBondContact O-N 3.21Å; N216-I225 WeakPolarHBondContact O-CG1 3.4Å
217E94.4Very high96.4Very high120 Ų12047.8 Ų47.856%0.56125%0.248SC*.THydrogen-bonded Turntrans-61.6-25.6175.9-65.5175.7-175.500112.6I225 H227E217-I225 WeakPolarHBondContact O-CD1 3.49Å; E217-H227 IonicContact OE1-CE1 3.48Å; E217-H227 PolarHBondContact OE1-CE1 3.07Å
218L93.3Very high96.4Very high154 Ų15448.3 Ų48.381%0.80625%0.251SS*.THydrogen-bonded Turntrans-103.942.2179.4-53.2179.2000111.3N216N216-L218 VanDerWaalsContact ND2-C 3.27Å; N216-L218 PolarHBondContact ND2-O 2.94Å; N216-L218 PolarHBondContact O-N 2.85Å; N216-L218 PolarHBondContact OD1-N 2.9Å
219D94.6Very high96.4Very high5 Ų549.7 Ų49.73%0.02726%0.258CS..  trans-79.4116.9177.7-179.197.5000111.2R187 T214 N216 Q221 G222 H223 I225R187-D219 VanDerWaalsContact CZ-O 3.28Å; R187-D219 PolarHBondContact NH1-O 2.97Å; R187-D219 IonicContact NH1-OD2 2.7Å; R187-D219 PolarHBondContact NH1-OD2 2.8Å; R187-D219 PolarHBondContact NH2-O 3.12Å; T214-D219 HydrophobicContact CG2-CB 3.84Å; N216-D219 HydrophobicContact CB-CB 4.21Å; N216-D219 WeakPolarHBondContact ND2-CA 3.29Å; N216-D219 PolarHBondContact ND2-N 3.22Å; N216-D219 VanDerWaalsContact O-CB 3.32Å; N216-D219 WeakPolarHBondContact O-CB 3.31Å; N216-D219 PolarHBondContact O-N 3.21Å; D219-Q221 PolarHBondContact OD2-N 2.95Å; D219-G222 PolarHBondContact OD2-N 3.31Å; D219-H223 IonicContact OD1-CE1 2.93Å; D219-H223 IonicContact OD1-CG 3.88Å; D219-H223 IonicContact OD1-ND1 3.58Å; D219-H223 PolarHBondContact OD1-ND1 3.22Å; D219-H223 WeakPolarHBondContact OD2-CB 3.42Å; D219-H223 IonicContact OD2-CG 3.36Å; D219-H223 PolarHBondContact OD2-N 3.27Å; D219-H223 IonicContact OD2-ND1 3.98Å; D219-I225 HydrophobicContact CB-CG1 4.32Å
220D93.5Very high96.5Very high137 Ų13747.6 Ų47.673%0.73325%0.247SC*.SBendtrans-86.9-15179.663.2-21.9000113.5G222D220-G222 VanDerWaalsContact C-N 3.27Å; D220-G222 PolarHBondContact O-N 2.99Å
221Q93.3Very high96.6Very high127 Ų12745.2 Ų45.259%0.59324%0.236SC*.SBendtrans-80.50.4-174.3-55.2-58.2-67.600114.4D219 H223D219-Q221 PolarHBondContact OD2-N 2.95Å; Q221-H223 VanDerWaalsContact C-N 3.29Å; Q221-H223 WeakPolarHBondContact CB-CE1 3.5Å; Q221-H223 PolarHBondContact O-N 3.15Å
222G92.2Very high96.6Very high40 Ų4045.8 Ų45.841%0.41224%0.238SC..  trans69.920.4-176.700000114.3D219 D220D219-G222 PolarHBondContact OD2-N 3.31Å; D220-G222 VanDerWaalsContact C-N 3.27Å; D220-G222 PolarHBondContact O-N 2.99Å
223H96.9Very high96.6Very high22 Ų2244 Ų4410%0.10223%0.231CC..PPolyproline II helixtrans-67.8151.9171.5-54.2134.9000110.2A130 R187 K212 T214 D219 Q221 I225A130-H223 PolarHBondContact O-CE1 3.33Å; R187-H223 WeakPolarHBondContact CD-O 3.38Å; R187-H223 PolarHBondContact NH1-O 3.29Å; K212-H223 HydrophobicContact CB-CB 4.41Å; K212-H223 WeakPolarHBondContact CD-CD2 3.42Å; K212-H223 WeakPolarHBondContact CD-NE2 3.23Å; K212-H223 PolarHBondContact NZ-NE2 2.97Å; T214-H223 HydrophobicContact CG2-CB 3.78Å; D219-H223 IonicContact OD1-CE1 2.93Å; D219-H223 IonicContact OD1-CG 3.88Å; D219-H223 IonicContact OD1-ND1 3.58Å; D219-H223 PolarHBondContact OD1-ND1 3.22Å; D219-H223 WeakPolarHBondContact OD2-CB 3.42Å; D219-H223 IonicContact OD2-CG 3.36Å; D219-H223 PolarHBondContact OD2-N 3.27Å; D219-H223 IonicContact OD2-ND1 3.98Å; Q221-H223 VanDerWaalsContact C-N 3.29Å; Q221-H223 WeakPolarHBondContact CB-CE1 3.5Å; Q221-H223 PolarHBondContact O-N 3.15Å; H223-I225 PolarHBondContact O-N 2.86Å
224I97.4Very high96.6Very high6 Ų643.9 Ų43.93%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-72.8117.3175-58.1-173.6000108.5I157 L211 K212 L213 T214 L226I157-I224 HydrophobicContact CB-CG2 4.29Å; I157-I224 HydrophobicContact CD1-CD1 3.87Å; I157-I224 HydrophobicContact CD1-CG2 4.31Å; I157-I224 HydrophobicContact CG1-CD1 3.96Å; L211-I224 HydrophobicContact CD1-CD1 4.01Å; L211-I224 HydrophobicContact CD2-CD1 4.04Å; L211-I224 HydrophobicContact CD2-CG1 4.41Å; L211-I224 HydrophobicContact CG-CD1 4.2Å; K212-I224 PolarHBondContact O-N 2.85Å; K212-I224 VanDerWaalsContact O-N 3.07Å; L213-I224 CarbonylContact C-O 3.59Å; L213-I224 WeakPolarHBondContact CA-O 3.45Å; L213-I224 HydrophobicContact CD2-CB 4.22Å; T214-I224 PolarHBondContact N-O 3.26Å; I224-L226 HydrophobicContact CG2-CD2 4.02Å; I224-L226 HydrophobicContact CG2-CG 4.2Å
225I97.6Very high96.6Very high6 Ų647.5 Ų47.53%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-79.2132.1177.2-54.8167.1000108V184 R187 T214 N216 E217 D219 H223V184-I225 HydrophobicContact CB-CG2 4.2Å; V184-I225 HydrophobicContact CG1-CG2 3.91Å; R187-I225 VanDerWaalsContact CZ-CD1 3.45Å; T214-I225 HydrophobicContact CG2-CB 4.24Å; T214-I225 HydrophobicContact CG2-CG1 3.77Å; T214-I225 WeakPolarHBondContact O-CA 3.47Å; N216-I225 WeakPolarHBondContact O-CG1 3.4Å; E217-I225 WeakPolarHBondContact O-CD1 3.49Å; D219-I225 HydrophobicContact CB-CG1 4.32Å; H223-I225 PolarHBondContact O-N 2.86Å
226L97.8Very high96.6Very high3 Ų344.1 Ų44.12%0.01623%0.226CC..  trans-140.3148.1173-56.9173.5000110I127 I157 L213 T214 I224 Y232 F269 T271I127-L226 WeakPolarHBondContact CD1-O 3.29Å; I157-L226 HydrophobicContact CB-CD2 4.29Å; I157-L226 HydrophobicContact CG2-CD1 4.16Å; I157-L226 HydrophobicContact CG2-CD2 3.82Å; L213-L226 HydrophobicContact CB-CD1 4.37Å; L213-L226 HydrophobicContact CD1-CD1 4.02Å; L213-L226 HydrophobicContact CD2-CD1 3.89Å; L213-L226 HydrophobicContact CG-CD1 4.31Å; T214-L226 PolarHBondContact O-N 2.8Å; I224-L226 HydrophobicContact CG2-CD2 4.02Å; I224-L226 HydrophobicContact CG2-CG 4.2Å; L226-Y232 HydrophobicContact CB-CE2 3.92Å; L226-Y232 HydrophobicContact CD1-CD2 4.31Å; L226-Y232 HydrophobicContact CD1-CE2 4.47Å; L226-Y232 HydrophobicContact CD2-CD1 3.69Å; L226-Y232 HydrophobicContact CD2-CD2 4.3Å; L226-Y232 HydrophobicContact CD2-CE1 3.54Å; L226-Y232 HydrophobicContact CD2-CE2 4.12Å; L226-Y232 HydrophobicContact CD2-CG 4.08Å; L226-Y232 HydrophobicContact CG-CE2 4.4Å; L226-F269 HydrophobicContact CD1-CE2 4.07Å; L226-F269 HydrophobicContact CD1-CZ 4.17Å; L226-T271 HydrophobicContact CB-CG2 3.86Å; L226-T271 HydrophobicContact CD1-CG2 3.65Å; L226-T271 HydrophobicContact CG-CG2 4.41Å
227H97.9Very high96.7Very high24 Ų2442.4 Ų42.411%0.11122%0.217CC..  trans-75.2150.9170.6-72.8-40.5000110.8S182 E217 H230 Y232 T271S182-H227 PolarHBondContact O-CD2 3.32Å; S182-H227 PolarHBondContact O-NE2 2.83Å; E217-H227 IonicContact OE1-CE1 3.48Å; E217-H227 PolarHBondContact OE1-CE1 3.07Å; H227-H230 WeakPolarHBondContact CB-ND1 3.45Å; H227-Y232 PolarHBondContact N-OH 2.88Å; H227-T271 VanDerWaalsContact O-CB 3.24Å; H227-T271 WeakPolarHBondContact O-CB 3.25Å; H227-T271 PolarHBondContact O-OG1 3.29Å
228S98Very high96.8Very high30 Ų3036.7 Ų36.721%0.2119%0.19CC..THydrogen-bonded Turntrans-77.1151.4173.1-166.80000110.8H230 T273S228-H230 VanDerWaalsContact C-N 3.33Å; S228-H230 PolarHBondContact O-CE1 3.31Å; S228-H230 PolarHBondContact O-N 2.86Å; S228-H230 PolarHBondContact O-ND1 3.39Å; S228-T273 PolarHBondContact OG-N 3.43Å
229M98.1Very high96.9Very high30 Ų3029.4 Ų29.415%0.14815%0.152CC..THydrogen-bonded Turntrans6431.2177.6-43.7-62.2-79.100114.7Y165 W174 T271 V272 Q276Y165-M229 WeakPolarHBondContact CB-O 3.5Å; Y165-M229 PolarHBondContact N-O 3.46Å; Y165-M229 WeakPolarHBondContact O-CB 3.38Å; W174-M229 HydrophobicContact CH2-CE 3.97Å; W174-M229 HydrophobicContact CH2-SD 4.35Å; W174-M229 HydrophobicContact CZ3-CE 3.65Å; W174-M229 HydrophobicContact CZ3-SD 4.43Å; M229-T271 WeakPolarHBondContact CA-O 3.29Å; M229-T271 PolarHBondContact N-O 3.37Å; M229-T271 PolarHBondContact N-OG1 3.06Å; M229-V272 HydrophobicContact SD-CG1 4.06Å; M229-Q276 HydrophobicContact CE-CG 4.4Å
230H98.4Very high96.9Very high7 Ų732.2 Ų32.23%0.03216%0.162CC..  trans-123.9154.5177.8-70.281.6000110.6K163 A180 D181 H227 S228 Y232 T270 T271K163-H230 PolarHBondContact O-CD2 3.44Å; A180-H230 VanDerWaalsContact CA-NE2 3.26Å; A180-H230 WeakPolarHBondContact CA-NE2 3.46Å; A180-H230 WeakPolarHBondContact CB-NE2 3.43Å; D181-H230 PolarHBondContact N-NE2 3.32Å; D181-H230 VanDerWaalsContact N-NE2 3.13Å; D181-H230 IonicContact OD2-CE1 3.97Å; D181-H230 PolarHBondContact OD2-CE1 3.27Å; D181-H230 VanDerWaalsContact OD2-CE1 3.29Å; H227-H230 WeakPolarHBondContact CB-ND1 3.45Å; S228-H230 VanDerWaalsContact C-N 3.33Å; S228-H230 PolarHBondContact O-CE1 3.31Å; S228-H230 PolarHBondContact O-N 2.86Å; S228-H230 PolarHBondContact O-ND1 3.39Å; H230-Y232 HydrophobicContact CB-CD2 4.35Å; H230-Y232 HydrophobicContact CB-CE2 3.57Å; H230-T270 WeakPolarHBondContact O-CA 3.34Å; H230-T271 PolarHBondContact N-OG1 3.32Å; H230-T271 PolarHBondContact O-N 3.22Å; H230-T271 PolarHBondContact O-OG1 3.37Å; H230-T271 VanDerWaalsContact O-OG1 3.07Å
231K98.1Very high96.8Very high59 Ų5930.3 Ų30.326%0.25715%0.148SC..EExtended strand (participates in β ladder)trans-95.7136.4179.1-73.7-180-178.7170.10111.5P159 V160 Y165 F269P159-K231 WeakPolarHBondContact CA-O 3.31Å; V160-K231 HydrophobicContact CB-CB 3.93Å; V160-K231 HydrophobicContact CG2-CB 4.24Å; V160-K231 PolarHBondContact N-O 2.84Å; Y165-K231 HydrophobicContact CD2-CD 4.46Å; Y165-K231 HydrophobicContact CD2-CG 4.19Å; Y165-K231 HydrophobicContact CE1-CD 4.38Å; Y165-K231 HydrophobicContact CE2-CB 4.45Å; Y165-K231 HydrophobicContact CE2-CD 3.7Å; Y165-K231 HydrophobicContact CE2-CG 3.82Å; Y165-K231 VanDerWaalsContact CZ-NZ 3.32Å; Y165-K231 WeakPolarHBondContact OH-CE 3.4Å; Y165-K231 PolarHBondContact OH-NZ 3.09Å; K231-F269 WeakPolarHBondContact CA-O 3.36Å
232Y98.5Very high96.6Very high13 Ų1327.8 Ų27.85%0.05114%0.138CC..EExtended strand (participates in β ladder)trans-135.9146.7-177.2-66.6-83.9000112.8I157 V158 P159 L226 H227 H230 V268 F269 T271I157-Y232 HydrophobicContact CG2-CD1 4.02Å; I157-Y232 HydrophobicContact CG2-CG 4.01Å; V158-Y232 CarbonylContact O-C 3.58Å; V158-Y232 VanDerWaalsContact O-CA 3.29Å; V158-Y232 WeakPolarHBondContact O-CA 3.31Å; P159-Y232 HydrophobicContact CB-CD1 4.27Å; P159-Y232 HydrophobicContact CB-CE1 4.09Å; L226-Y232 HydrophobicContact CB-CE2 3.92Å; L226-Y232 HydrophobicContact CD1-CD2 4.31Å; L226-Y232 HydrophobicContact CD1-CE2 4.47Å; L226-Y232 HydrophobicContact CD2-CD1 3.69Å; L226-Y232 HydrophobicContact CD2-CD2 4.3Å; L226-Y232 HydrophobicContact CD2-CE1 3.54Å; L226-Y232 HydrophobicContact CD2-CE2 4.12Å; L226-Y232 HydrophobicContact CD2-CG 4.08Å; L226-Y232 HydrophobicContact CG-CE2 4.4Å; H227-Y232 PolarHBondContact N-OH 2.88Å; H230-Y232 HydrophobicContact CB-CD2 4.35Å; H230-Y232 HydrophobicContact CB-CE2 3.57Å; Y232-V268 WeakPolarHBondContact O-CA 3.31Å; Y232-F269 PolarHBondContact N-O 2.94Å; Y232-F269 PolarHBondContact O-N 3.07Å; Y232-T271 HydrophobicContact CD2-CG2 3.66Å; Y232-T271 HydrophobicContact CE2-CG2 3.71Å
233Q98.3Very high96.2Very high30 Ų3029.6 Ų29.614%0.1414%0.135CC..EExtended strand (participates in β ladder)trans-113.2114.4174.2172.167.573.400108.2V158 V160 R235 F264 T267 V268V158-Q233 HydrophobicContact CG2-CB 4.27Å; V158-Q233 PolarHBondContact N-O 3.1Å; V158-Q233 PolarHBondContact O-N 2.88Å; V160-Q233 HydrophobicContact CG2-CB 3.9Å; Q233-R235 HydrophobicContact CG-CG 4.4Å; Q233-F264 PolarHBondContact NE2-O 3.1Å; Q233-T267 PolarHBondContact NE2-OG1 2.96Å; Q233-V268 HydrophobicContact CB-CG2 4.35Å
234P98.3Very high95.5Very high0 Ų029.6 Ų29.60%014%0.137CC..EExtended strand (participates in β ladder)trans-67.2146167-19.133.4000111M138 D156 I157 T267 F269M138-P234 HydrophobicContact CE-CB 3.58Å; M138-P234 HydrophobicContact CE-CG 3.83Å; M138-P234 HydrophobicContact SD-CB 4.13Å; D156-P234 WeakPolarHBondContact O-CA 3.09Å; I157-P234 HydrophobicContact CG1-CB 4.31Å; P234-T267 WeakPolarHBondContact CD-O 3.5Å; P234-F269 HydrophobicContact CG-CD1 4.15Å; P234-F269 HydrophobicContact CG-CE1 3.66Å
235R98.1Very high94.7Very high76 Ų7634.9 Ų34.929%0.28718%0.175SC..EExtended strand (participates in β ladder)trans-131.9135.4175.6-51.9-170.1-62.7174.73.6109.8M155 D156 V158 Q233 H237 T261 F262M155-R235 VanDerWaalsContact CA-O 3.25Å; M155-R235 WeakPolarHBondContact CA-O 3.48Å; M155-R235 WeakPolarHBondContact CG-O 3.21Å; D156-R235 PolarHBondContact N-O 3.3Å; D156-R235 VanDerWaalsContact N-O 3.14Å; D156-R235 PolarHBondContact O-N 3.28Å; D156-R235 IonicContact OD1-CZ 3.44Å; D156-R235 IonicContact OD1-NE 3.01Å; D156-R235 PolarHBondContact OD1-NE 2.93Å; D156-R235 IonicContact OD1-NH2 3.69Å; D156-R235 PolarHBondContact OD1-NH2 3.13Å; D156-R235 IonicContact OD2-CZ 3.85Å; D156-R235 IonicContact OD2-NE 3.28Å; D156-R235 IonicContact OD2-NH2 3.15Å; D156-R235 PolarHBondContact OD2-NH2 3.38Å; V158-R235 HydrophobicContact CG2-CG 4.15Å; Q233-R235 HydrophobicContact CG-CG 4.4Å; R235-H237 PolarHBondContact O-CD2 3.16Å; R235-T261 HydrophobicContact CB-CG2 3.98Å; R235-F262 CarbonylContact C-O 3.6Å; R235-F262 WeakPolarHBondContact CA-O 3.33Å
236V98.2Very high93.8Very high1 Ų141.1 Ų41.11%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-98.4132.9173.1175.70000108.3M138 V140 I153 M155 F208 T261 F262M138-V236 HydrophobicContact SD-CG2 4.02Å; V140-V236 HydrophobicContact CG1-CG2 4.22Å; V140-V236 HydrophobicContact CG2-CG1 4.48Å; I153-V236 HydrophobicContact CG2-CG1 4.47Å; M155-V236 HydrophobicContact CE-CG2 3.59Å; F208-V236 HydrophobicContact CE2-CG2 4.13Å; F208-V236 HydrophobicContact CZ-CG1 4.35Å; F208-V236 HydrophobicContact CZ-CG2 4.41Å; V236-T261 CarbonylContact O-C 3.57Å; V236-T261 WeakPolarHBondContact O-CA 3.49Å; V236-F262 PolarHBondContact N-O 2.81Å; V236-F262 PolarHBondContact O-N 2.83Å
237H97.3Very high93.2Very high1 Ų142.3 Ų42.31%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-120130.3-179.1-49.9-92.7000109.9I153 A154 D156 R235 I239 V253 K260 T261I153-H237 WeakPolarHBondContact CA-O 3.47Å; A154-H237 HydrophobicContact CB-CB 4.49Å; A154-H237 PolarHBondContact N-O 3.47Å; A154-H237 PolarHBondContact O-N 3.03Å; D156-H237 VanDerWaalsContact CG-NE2 3.27Å; D156-H237 IonicContact OD1-CE1 2.7Å; D156-H237 IonicContact OD1-NE2 2.68Å; D156-H237 PolarHBondContact OD1-NE2 3.01Å; D156-H237 IonicContact OD2-CE1 3.34Å; D156-H237 IonicContact OD2-NE2 3.88Å; R235-H237 PolarHBondContact O-CD2 3.16Å; H237-I239 HydrophobicContact CB-CD1 4.24Å; H237-I239 HydrophobicContact CB-CG1 4.28Å; H237-V253 HydrophobicContact CB-CG1 4.03Å; H237-K260 WeakPolarHBondContact CA-O 3.38Å; H237-T261 VanDerWaalsContact CE1-CG2 3.45Å; H237-T261 WeakPolarHBondContact CE1-CG2 3.08Å; H237-T261 WeakPolarHBondContact ND1-CG2 3.31Å; H237-T261 PolarHBondContact ND1-OG1 2.94Å
238I96.8Very high92.7Very high0 Ų043.5 Ų43.50%022%0.221CC..EExtended strand (participates in β ladder)trans-109.9117.5172.2-65.1175.6000106.7I105 V107 I142 L145 Y151 I153 V259 K260 F262I105-I238 HydrophobicContact CD1-CG2 4.33Å; I105-I238 HydrophobicContact CG2-CD1 3.69Å; V107-I238 HydrophobicContact CG2-CD1 3.56Å; I142-I238 HydrophobicContact CD1-CD1 4.02Å; I142-I238 HydrophobicContact CG1-CD1 4.44Å; I142-I238 HydrophobicContact CG2-CD1 3.75Å; L145-I238 HydrophobicContact CD2-CD1 4.48Å; L145-I238 HydrophobicContact CD2-CG2 3.77Å; Y151-I238 HydrophobicContact CD1-CG2 3.69Å; Y151-I238 HydrophobicContact CE1-CG2 4.22Å; Y151-I238 HydrophobicContact CG-CG2 4.43Å; I153-I238 HydrophobicContact CG1-CG1 4.47Å; I238-V259 WeakPolarHBondContact O-CA 3.43Å; I238-K260 PolarHBondContact N-O 2.91Å; I238-K260 PolarHBondContact O-N 2.9Å; I238-F262 HydrophobicContact CD1-CE2 3.94Å; I238-F262 HydrophobicContact CG1-CE2 4.43Å
239I95.7Very high92.2Very high0 Ų044.1 Ų44.10%023%0.228CC..EExtended strand (participates in β ladder)trans-124116.6-168.7-60.7161.7000108Y151 Y152 A154 H237 L247 V253 G258 V259Y151-I239 CarbonylContact C-O 3.59Å; Y151-I239 VanDerWaalsContact CA-O 3.31Å; Y151-I239 WeakPolarHBondContact CA-O 3.31Å; Y152-I239 PolarHBondContact N-O 3.22Å; Y152-I239 PolarHBondContact O-N 3.24Å; A154-I239 HydrophobicContact CB-CD1 4.3Å; H237-I239 HydrophobicContact CB-CD1 4.24Å; H237-I239 HydrophobicContact CB-CG1 4.28Å; I239-L247 HydrophobicContact CD1-CD1 3.82Å; I239-L247 HydrophobicContact CD1-CD2 3.83Å; I239-L247 HydrophobicContact CD1-CG 4.39Å; I239-V253 HydrophobicContact CD1-CG1 3.78Å; I239-V253 HydrophobicContact CG1-CG1 4.41Å; I239-G258 WeakPolarHBondContact CA-O 3.33Å; I239-V259 HydrophobicContact CB-CG2 4.45Å; I239-V259 HydrophobicContact CG1-CB 4.46Å; I239-V259 HydrophobicContact CG1-CG1 3.86Å; I239-V259 HydrophobicContact CG1-CG2 4.04Å; I239-V259 HydrophobicContact CG2-CG2 4.15Å
240R94.1Very high91.7Very high64 Ų6447.9 Ų47.924%0.24225%0.248CC..EExtended strand (participates in β ladder)trans-63.5141.3172.3-87.4175.962.4150.9-8.9111M102 Q149 Y151 D242 F243 S244 G258M102-R240 HydrophobicContact CE-CG 4.31Å; M102-R240 WeakPolarHBondContact SD-CD 3.46Å; M102-R240 HydrophobicContact SD-CG 3.67Å; Q149-R240 HydrophobicContact CG-CG 4.5Å; Y151-R240 HydrophobicContact CD1-CG 3.83Å; Y151-R240 HydrophobicContact CE1-CG 3.48Å; Y151-R240 VanDerWaalsContact CE1-CG 3.48Å; R240-D242 VanDerWaalsContact C-N 3.27Å; R240-D242 WeakPolarHBondContact CB-OD1 3.25Å; R240-D242 IonicContact CZ-OD2 2.76Å; R240-D242 IonicContact NE-OD1 3.43Å; R240-D242 PolarHBondContact NE-OD1 3.1Å; R240-D242 IonicContact NE-OD2 3.56Å; R240-D242 PolarHBondContact NE-OD2 3.45Å; R240-D242 VanDerWaalsContact NE-OD2 3.15Å; R240-D242 IonicContact NH2-OD1 3.95Å; R240-D242 IonicContact NH2-OD2 3.31Å; R240-D242 PolarHBondContact NH2-OD2 3.04Å; R240-D242 PolarHBondContact O-N 3.34Å; R240-F243 HydrophobicContact CB-CD2 3.98Å; R240-F243 CarbonylContact O-C 3.59Å; R240-F243 PolarHBondContact O-N 3.49Å; R240-S244 PolarHBondContact O-N 3.03Å; R240-G258 PolarHBondContact N-O 3.14Å
241K92.4Very high91.2Very high98 Ų9853.1 Ų53.143%0.42627%0.271SS..G310 helixtrans-52.4-43.6179.2-176.7-167.5-169.9172.20113Q150 L195 F243 S244Q150-K241 HydrophobicContact CB-CB 4.17Å; Q150-K241 HydrophobicContact CB-CD 4.21Å; Q150-K241 WeakPolarHBondContact O-CB 3.38Å; Q150-K241 PolarHBondContact O-N 2.71Å; L195-K241 HydrophobicContact CD1-CB 4.25Å; L195-K241 HydrophobicContact CD1-CG 4.48Å; L195-K241 HydrophobicContact CD2-CB 4.44Å; L195-K241 HydrophobicContact CD2-CD 3.81Å; L195-K241 HydrophobicContact CD2-CG 3.81Å; K241-F243 PolarHBondContact O-N 2.65Å; K241-F243 VanDerWaalsContact O-N 3.15Å; K241-S244 PolarHBondContact O-N 3Å; K241-S244 VanDerWaalsContact O-N 3.1Å; K241-S244 PolarHBondContact O-OG 3.04Å; K241-S244 VanDerWaalsContact O-OG 3.06Å
242D88.3Confident90.6Very high73 Ų7354.4 Ų54.439%0.3929%0.286SS..G310 helixtrans-63.2-15.218040.4-47.9000113.6Q149 R240Q149-D242 PolarHBondContact NE2-OD1 3.25Å; R240-D242 VanDerWaalsContact C-N 3.27Å; R240-D242 WeakPolarHBondContact CB-OD1 3.25Å; R240-D242 IonicContact CZ-OD2 2.76Å; R240-D242 IonicContact NE-OD1 3.43Å; R240-D242 PolarHBondContact NE-OD1 3.1Å; R240-D242 IonicContact NE-OD2 3.56Å; R240-D242 PolarHBondContact NE-OD2 3.45Å; R240-D242 VanDerWaalsContact NE-OD2 3.15Å; R240-D242 IonicContact NH2-OD1 3.95Å; R240-D242 IonicContact NH2-OD2 3.31Å; R240-D242 PolarHBondContact NH2-OD2 3.04Å; R240-D242 PolarHBondContact O-N 3.34Å
243F83.8Confident90.1Very high79 Ų7954.4 Ų54.435%0.34629%0.287SS..G310 helixtrans-115.812.3176.3-62.6-96.7000113.1R240 K241 S245 E257 G258R240-F243 HydrophobicContact CB-CD2 3.98Å; R240-F243 CarbonylContact O-C 3.59Å; R240-F243 PolarHBondContact O-N 3.49Å; K241-F243 PolarHBondContact O-N 2.65Å; K241-F243 VanDerWaalsContact O-N 3.15Å; F243-S245 VanDerWaalsContact C-N 3.35Å; F243-S245 PolarHBondContact O-N 3.25Å; F243-E257 HydrophobicContact CE1-CB 4.41Å; F243-E257 HydrophobicContact CZ-CB 4.49Å; F243-G258 VanDerWaalsContact CD2-CA 3.48Å
244S82.4Confident89.4Confident22 Ų2253.7 Ų53.715%0.15429%0.285CS..G310 helixtrans-85.92.4-176.780.70000114.8Y152 R240 K241 E246 L247Y152-S244 VanDerWaalsContact CE2-CB 3.45Å; Y152-S244 VanDerWaalsContact CE2-OG 3.23Å; Y152-S244 WeakPolarHBondContact CE2-OG 3.44Å; R240-S244 PolarHBondContact O-N 3.03Å; K241-S244 PolarHBondContact O-N 3Å; K241-S244 VanDerWaalsContact O-N 3.1Å; K241-S244 PolarHBondContact O-OG 3.04Å; K241-S244 VanDerWaalsContact O-OG 3.06Å; S244-E246 PolarHBondContact O-N 2.86Å; S244-E246 VanDerWaalsContact O-N 3.11Å; S244-L247 VanDerWaalsContact O-CB 3.31Å; S244-L247 WeakPolarHBondContact O-CB 3.4Å; S244-L247 PolarHBondContact O-N 3.26Å
245S80.3Confident88.6Confident117 Ų11759.6 Ų59.682%0.81833%0.326SS*.G310 helixtrans-58.6-26.2-172.5-55.80000114.8F243F243-S245 VanDerWaalsContact C-N 3.35Å; F243-S245 PolarHBondContact O-N 3.25Å
246E79.1Confident87.9Confident137 Ų13758.2 Ų58.264%0.6434%0.336SS*.G310 helixtrans-98.3-8.5177.9-70.4-178-158.800113.9S244 S248 P254S244-E246 PolarHBondContact O-N 2.86Å; S244-E246 VanDerWaalsContact O-N 3.11Å; E246-S248 PolarHBondContact O-N 3.46Å; E246-P254 HydrophobicContact CB-CB 4.24Å; E246-P254 HydrophobicContact CB-CG 3.64Å
247L85.1Confident87.1Confident28 Ų2866 Ų6615%0.14737%0.372CS..  trans-66.9117.8-174.6179.559000111.2Y152 V188 I190 I239 S244Y152-L247 HydrophobicContact CD1-CD2 4.04Å; Y152-L247 HydrophobicContact CD2-CD2 4.39Å; Y152-L247 HydrophobicContact CG-CD2 3.85Å; V188-L247 HydrophobicContact CG1-CD1 4.34Å; I190-L247 HydrophobicContact CD1-CD1 4.28Å; I190-L247 HydrophobicContact CD1-CD2 4.1Å; I190-L247 HydrophobicContact CD1-CG 3.95Å; I239-L247 HydrophobicContact CD1-CD1 3.82Å; I239-L247 HydrophobicContact CD1-CD2 3.83Å; I239-L247 HydrophobicContact CD1-CG 4.39Å; S244-L247 VanDerWaalsContact O-CB 3.31Å; S244-L247 WeakPolarHBondContact O-CB 3.4Å; S244-L247 PolarHBondContact O-N 3.26Å
248S86.9Confident86.6Confident48 Ų4866 Ų6634%0.33637%0.372SS..  trans-144.9141.2175.4-174.30000110.4E246 N250 K251E246-S248 PolarHBondContact O-N 3.46Å; S248-N250 PolarHBondContact O-N 2.99Å; S248-K251 PolarHBondContact O-N 3.4Å; S248-K251 VanDerWaalsContact O-N 3.1Å
249A87.7Confident86.5Confident43 Ų4367.1 Ų67.136%0.35538%0.379SS..THydrogen-bonded Turntrans-60.3-19.1-179.200000114.1R187 V188R187-A249 VanDerWaalsContact CA-O 3.31Å; R187-A249 WeakPolarHBondContact CA-O 3.48Å; V188-A249 PolarHBondContact N-O 2.96Å; V188-A249 WeakPolarHBondContact O-CA 3.47Å
250N87.4Confident86.4Confident109 Ų10969.5 Ų69.558%0.58339%0.389SS*.THydrogen-bonded Turntrans-110.118.3-179.2-62.1-34.6000113.3P186 S248P186-N250 CarbonylContact O-C 3.56Å; S248-N250 PolarHBondContact O-N 2.99Å
251K87.6Confident86.5Confident118 Ų11869.4 Ų69.451%0.51340%0.396SS..SBendtrans-127.2162.1174.9-71.3-172.3177.6-176.10109.8V188 S248V188-K251 WeakPolarHBondContact CG2-O 3.26Å; S248-K251 PolarHBondContact O-N 3.4Å; S248-K251 VanDerWaalsContact O-N 3.1Å
252P86.9Confident86.8Confident86 Ų8666.4 Ų66.456%0.55838%0.383SS*.PPolyproline II helixtrans-53.7153.7162.7-22.833.5000111.7P186P186-P252 HydrophobicContact CB-CG 4.12Å; P186-P252 HydrophobicContact CG-CG 4.03Å
253V87.6Confident87.2Confident12 Ų1266.5 Ų66.57%0.07339%0.389CS..PPolyproline II helixtrans-65.3135169.9-174.30000109.3D156 V188 H237 I239 V259D156-V253 HydrophobicContact CB-CG2 4.29Å; V188-V253 HydrophobicContact CB-CG2 4.37Å; V188-V253 HydrophobicContact CG1-CG2 3.88Å; V188-V253 HydrophobicContact CG2-CG2 3.5Å; H237-V253 HydrophobicContact CB-CG1 4.03Å; I239-V253 HydrophobicContact CD1-CG1 3.78Å; I239-V253 HydrophobicContact CG1-CG1 4.41Å; V253-V259 HydrophobicContact CG1-CG1 4.14Å
254P84.5Confident87.9Confident16 Ų1664.3 Ų64.310%0.10438%0.38CS..PPolyproline II helixtrans-57.6152.1175.9-24.535.3000112.2E246 V259E246-P254 HydrophobicContact CB-CB 4.24Å; E246-P254 HydrophobicContact CB-CG 3.64Å; P254-V259 HydrophobicContact CB-CG2 4.42Å; P254-V259 WeakPolarHBondContact O-CG1 3.4Å
255S81.6Confident88.6Confident123 Ų12367.2 Ų67.286%0.8640%0.4SS*.  trans-123122178.3-64.20000109.7
256G82.3Confident89.5Confident48 Ų4863.1 Ų63.150%0.49537%0.368SS..SBendtrans169.7178.3-176.300000111.6G258 V259G256-G258 VanDerWaalsContact C-N 3.3Å; G256-G258 PolarHBondContact O-N 2.76Å; G256-V259 PolarHBondContact O-N 3.46Å
257E81.3Confident90.4Very high165 Ų16556.6 Ų56.677%0.77134%0.338SS*.THydrogen-bonded Turntrans-51.9-42.3-173.2-169.4-177.4160.800113.8M102 F243 V259M102-E257 WeakPolarHBondContact CG-O 3.14Å; F243-E257 HydrophobicContact CE1-CB 4.41Å; F243-E257 HydrophobicContact CZ-CB 4.49Å; E257-V259 PolarHBondContact O-N 3.15Å
258G87.4Confident91.1Very high1 Ų156.8 Ų56.81%0.0134%0.34CS..THydrogen-bonded Turntrans-77.19.4177.200000116.5M102 I239 R240 F243 G256M102-G258 WeakPolarHBondContact CE-O 3.35Å; I239-G258 WeakPolarHBondContact CA-O 3.33Å; R240-G258 PolarHBondContact N-O 3.14Å; F243-G258 VanDerWaalsContact CD2-CA 3.48Å; G256-G258 VanDerWaalsContact C-N 3.3Å; G256-G258 PolarHBondContact O-N 2.76Å
259V93.3Very high91.6Very high22 Ų2254.6 Ų54.613%0.13332%0.324CS..EExtended strand (participates in β ladder)trans-127.7116.2178.9-175.70000111.5I238 I239 V253 P254 G256 E257I238-V259 WeakPolarHBondContact O-CA 3.43Å; I239-V259 HydrophobicContact CB-CG2 4.45Å; I239-V259 HydrophobicContact CG1-CB 4.46Å; I239-V259 HydrophobicContact CG1-CG1 3.86Å; I239-V259 HydrophobicContact CG1-CG2 4.04Å; I239-V259 HydrophobicContact CG2-CG2 4.15Å; V253-V259 HydrophobicContact CG1-CG1 4.14Å; P254-V259 HydrophobicContact CB-CG2 4.42Å; P254-V259 WeakPolarHBondContact O-CG1 3.4Å; G256-V259 PolarHBondContact O-N 3.46Å; E257-V259 PolarHBondContact O-N 3.15Å
260K94.8Very high92.1Very high50 Ų5052.9 Ų52.922%0.21731%0.309CS..EExtended strand (participates in β ladder)trans-109.5132.8171.8-161.6166.9179.3-172.90111M102 E103 I105 H237 I238 F262M102-K260 HydrophobicContact CE-CB 4.13Å; M102-K260 WeakPolarHBondContact O-CD 3.43Å; M102-K260 WeakPolarHBondContact O-CE 3.45Å; M102-K260 PolarHBondContact O-NZ 2.91Å; E103-K260 VanDerWaalsContact C-NZ 3.26Å; E103-K260 PolarHBondContact O-NZ 3.27Å; I105-K260 HydrophobicContact CB-CD 4.19Å; I105-K260 PolarHBondContact O-NZ 3.36Å; H237-K260 WeakPolarHBondContact CA-O 3.38Å; I238-K260 PolarHBondContact N-O 2.91Å; I238-K260 PolarHBondContact O-N 2.9Å; K260-F262 HydrophobicContact CB-CE2 3.91Å; K260-F262 HydrophobicContact CB-CZ 4.35Å; K260-F262 HydrophobicContact CD-CE1 4.4Å; K260-F262 HydrophobicContact CD-CE2 3.95Å; K260-F262 HydrophobicContact CD-CZ 3.52Å; K260-F262 HydrophobicContact CG-CD2 4.44Å; K260-F262 HydrophobicContact CG-CE1 4.48Å; K260-F262 HydrophobicContact CG-CE2 3.59Å; K260-F262 HydrophobicContact CG-CZ 3.63Å
261T96.5Very high92.7Very high63 Ų6347.7 Ų47.739%0.38728%0.282SS..EExtended strand (participates in β ladder)trans-117.6132.1-174.5-61.30000110.4R235 V236 H237R235-T261 HydrophobicContact CB-CG2 3.98Å; V236-T261 CarbonylContact O-C 3.57Å; V236-T261 WeakPolarHBondContact O-CA 3.49Å; H237-T261 VanDerWaalsContact CE1-CG2 3.45Å; H237-T261 WeakPolarHBondContact CE1-CG2 3.08Å; H237-T261 WeakPolarHBondContact ND1-CG2 3.31Å; H237-T261 PolarHBondContact ND1-OG1 2.94Å
262F97.6Very high93.2Very high34 Ų3442.1 Ų42.115%0.14926%0.257CS..EExtended strand (participates in β ladder)trans-123.9135.7-177.3-60-96000110.1I105 V107 R235 V236 I238 K260I105-F262 HydrophobicContact CB-CZ 4.42Å; I105-F262 HydrophobicContact CG2-CE2 4.36Å; I105-F262 HydrophobicContact CG2-CZ 4.01Å; I105-F262 WeakPolarHBondContact O-CZ 3.31Å; V107-F262 HydrophobicContact CB-CB 4.36Å; V107-F262 HydrophobicContact CB-CD1 3.79Å; V107-F262 HydrophobicContact CB-CD2 4.19Å; V107-F262 HydrophobicContact CB-CE1 4.05Å; V107-F262 HydrophobicContact CB-CE2 4.43Å; V107-F262 HydrophobicContact CB-CG 3.86Å; V107-F262 HydrophobicContact CB-CZ 4.35Å; V107-F262 HydrophobicContact CG2-CD1 3.85Å; V107-F262 HydrophobicContact CG2-CD2 3.55Å; V107-F262 HydrophobicContact CG2-CE1 3.75Å; V107-F262 HydrophobicContact CG2-CE2 3.45Å; V107-F262 VanDerWaalsContact CG2-CE2 3.45Å; V107-F262 HydrophobicContact CG2-CG 3.74Å; V107-F262 HydrophobicContact CG2-CZ 3.54Å; R235-F262 CarbonylContact C-O 3.6Å; R235-F262 WeakPolarHBondContact CA-O 3.33Å; V236-F262 PolarHBondContact N-O 2.81Å; V236-F262 PolarHBondContact O-N 2.83Å; I238-F262 HydrophobicContact CD1-CE2 3.94Å; I238-F262 HydrophobicContact CG1-CE2 4.43Å; K260-F262 HydrophobicContact CB-CE2 3.91Å; K260-F262 HydrophobicContact CB-CZ 4.35Å; K260-F262 HydrophobicContact CD-CE1 4.4Å; K260-F262 HydrophobicContact CD-CE2 3.95Å; K260-F262 HydrophobicContact CD-CZ 3.52Å; K260-F262 HydrophobicContact CG-CD2 4.44Å; K260-F262 HydrophobicContact CG-CE1 4.48Å; K260-F262 HydrophobicContact CG-CE2 3.59Å; K260-F262 HydrophobicContact CG-CZ 3.63Å
263S97.6Very high93.7Very high75 Ų7542.1 Ų42.152%0.52426%0.256SS..  trans-140.2131.1178.656.40000111
264F98.3Very high94.2Very high34 Ų3444 Ų4415%0.14927%0.273CS..  trans-106.4123.8-177.2-57.4-77.6000109.6V107 L109 V140 Q233 E266 T267V107-F264 HydrophobicContact CB-CZ 4.45Å; V107-F264 HydrophobicContact CG1-CE2 4.42Å; V107-F264 HydrophobicContact CG1-CZ 4.03Å; V107-F264 WeakPolarHBondContact O-CZ 3.35Å; L109-F264 HydrophobicContact CB-CD1 3.79Å; L109-F264 HydrophobicContact CB-CD2 4.08Å; L109-F264 HydrophobicContact CB-CE1 3.84Å; L109-F264 HydrophobicContact CB-CE2 4.13Å; L109-F264 HydrophobicContact CB-CG 3.92Å; L109-F264 HydrophobicContact CB-CZ 4.02Å; L109-F264 HydrophobicContact CD1-CD2 4.14Å; L109-F264 HydrophobicContact CD1-CE2 4.49Å; L109-F264 HydrophobicContact CD2-CB 3.96Å; L109-F264 HydrophobicContact CD2-CD1 4.49Å; L109-F264 HydrophobicContact CD2-CG 4.08Å; L109-F264 HydrophobicContact CG-CD2 4.48Å; L109-F264 HydrophobicContact CG-CG 4.39Å; V140-F264 HydrophobicContact CG1-CE2 4.02Å; V140-F264 HydrophobicContact CG1-CZ 4.49Å; Q233-F264 PolarHBondContact NE2-O 3.1Å; F264-E266 VanDerWaalsContact C-N 3.32Å; F264-E266 PolarHBondContact O-N 3.4Å; F264-T267 HydrophobicContact CB-CG2 3.71Å; F264-T267 WeakPolarHBondContact O-CB 3.5Å; F264-T267 PolarHBondContact O-N 3Å; F264-T267 PolarHBondContact O-OG1 3.03Å
265S97.9Very high94.9Very high83 Ų8346.3 Ų46.358%0.5828%0.28SS*.G310 helixtrans-67.3-31.8-172.253.90000112.6H119 T267 V268H119-S265 PolarHBondContact CE1-O 2.83Å; H119-S265 PolarHBondContact ND1-O 3.46Å; S265-T267 PolarHBondContact O-N 2.86Å; S265-T267 VanDerWaalsContact O-N 3.16Å; S265-V268 WeakPolarHBondContact O-CG2 3.33Å; S265-V268 PolarHBondContact O-N 3.07Å
266E97.9Very high95.7Very high31 Ų3142 Ų4215%0.14525%0.246CC..G310 helixtrans-66.1-14.4174.164.3-93.4-107.300113.3L109 W115 K116 H119 F264L109-E266 HydrophobicContact CD2-CG 3.72Å; W115-E266 HydrophobicContact CB-CB 4.37Å; W115-E266 HydrophobicContact CB-CG 3.79Å; K116-E266 VanDerWaalsContact CE-OE1 3.23Å; K116-E266 WeakPolarHBondContact CE-OE1 3.27Å; K116-E266 HydrophobicContact CG-CB 4Å; K116-E266 HydrophobicContact CG-CG 4.15Å; H119-E266 HydrophobicContact CB-CB 4.18Å; H119-E266 WeakPolarHBondContact ND1-CA 3.34Å; F264-E266 VanDerWaalsContact C-N 3.32Å; F264-E266 PolarHBondContact O-N 3.4Å
267T98.5Very high96.4Very high0 Ų040.1 Ų40.10%023%0.225CC..G310 helixtrans-90.5-3.2-179.570.80000114.3L109 W115 M138 Q233 P234 F264 S265 F269L109-T267 HydrophobicContact CD1-CG2 4.01Å; L109-T267 HydrophobicContact CD2-CG2 3.54Å; L109-T267 HydrophobicContact CG-CG2 4.45Å; W115-T267 HydrophobicContact CD2-CG2 3.83Å; W115-T267 HydrophobicContact CE3-CG2 3.9Å; W115-T267 HydrophobicContact CG-CG2 4.2Å; W115-T267 HydrophobicContact CZ3-CG2 4.26Å; M138-T267 VanDerWaalsContact CE-CB 3.43Å; M138-T267 HydrophobicContact CE-CG2 3.49Å; M138-T267 VanDerWaalsContact CE-CG2 3.49Å; Q233-T267 PolarHBondContact NE2-OG1 2.96Å; P234-T267 WeakPolarHBondContact CD-O 3.5Å; F264-T267 HydrophobicContact CB-CG2 3.71Å; F264-T267 WeakPolarHBondContact O-CB 3.5Å; F264-T267 PolarHBondContact O-N 3Å; F264-T267 PolarHBondContact O-OG1 3.03Å; S265-T267 PolarHBondContact O-N 2.86Å; S265-T267 VanDerWaalsContact O-N 3.16Å; T267-F269 WeakPolarHBondContact O-CD1 3.19Å; T267-F269 PolarHBondContact O-N 3.11Å
268V98.6Very high97.2Very high32 Ų3237.3 Ų37.319%0.19421%0.212CC..  trans-56.7134.4170.2172.70000110.3T123 V160 Y232 Q233 S265T123-V268 WeakPolarHBondContact CB-O 3.48Å; T123-V268 PolarHBondContact OG1-O 3.46Å; V160-V268 HydrophobicContact CG2-CG1 4.05Å; V160-V268 HydrophobicContact CG2-CG2 4.34Å; Y232-V268 WeakPolarHBondContact O-CA 3.31Å; Q233-V268 HydrophobicContact CB-CG2 4.35Å; S265-V268 WeakPolarHBondContact O-CG2 3.33Å; S265-V268 PolarHBondContact O-N 3.07Å
269F98.8Very high97.7Very high2 Ų242.2 Ų42.21%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-139.6159.4176.663.5-107.6000113.5T123 M125 M134 I157 L213 L226 K231 Y232 P234 T267 T271T123-F269 HydrophobicContact CG2-CB 3.64Å; T123-F269 CarbonylContact O-C 3.48Å; T123-F269 VanDerWaalsContact O-CA 3.25Å; T123-F269 WeakPolarHBondContact O-CA 3.38Å; T123-F269 WeakPolarHBondContact O-CB 3.43Å; M125-F269 HydrophobicContact CB-CD2 3.68Å; M125-F269 HydrophobicContact CB-CE2 3.83Å; M125-F269 HydrophobicContact CB-CG 4.11Å; M125-F269 HydrophobicContact CB-CZ 4.36Å; M125-F269 HydrophobicContact CE-CD1 4.11Å; M125-F269 HydrophobicContact CG-CB 3.86Å; M125-F269 HydrophobicContact CG-CD1 3.62Å; M125-F269 HydrophobicContact CG-CD2 3.51Å; M125-F269 HydrophobicContact CG-CE1 3.92Å; M125-F269 HydrophobicContact CG-CE2 3.85Å; M125-F269 HydrophobicContact CG-CG 3.4Å; M125-F269 HydrophobicContact CG-CZ 4.04Å; M134-F269 HydrophobicContact SD-CE1 3.87Å; M134-F269 HydrophobicContact SD-CZ 4.27Å; I157-F269 HydrophobicContact CD1-CZ 4.28Å; I157-F269 HydrophobicContact CG2-CZ 4.24Å; L213-F269 HydrophobicContact CD1-CE2 4.06Å; L213-F269 HydrophobicContact CD1-CZ 3.75Å; L226-F269 HydrophobicContact CD1-CE2 4.07Å; L226-F269 HydrophobicContact CD1-CZ 4.17Å; K231-F269 WeakPolarHBondContact CA-O 3.36Å; Y232-F269 PolarHBondContact N-O 2.94Å; Y232-F269 PolarHBondContact O-N 3.07Å; P234-F269 HydrophobicContact CG-CD1 4.15Å; P234-F269 HydrophobicContact CG-CE1 3.66Å; T267-F269 WeakPolarHBondContact O-CD1 3.19Å; T267-F269 PolarHBondContact O-N 3.11Å; F269-T271 HydrophobicContact CD2-CG2 4.32Å; F269-T271 HydrophobicContact CE2-CG2 3.82Å
270T98.6Very high97.9Very high7 Ų741.2 Ų41.24%0.04323%0.228CC..EExtended strand (participates in β ladder)trans-97.7131.3166.3-48.60000109.4T123 E124 M125 W174 H230T123-T270 PolarHBondContact O-N 3.17Å; E124-T270 CarbonylContact C-O 3.52Å; E124-T270 VanDerWaalsContact CA-O 3.31Å; E124-T270 WeakPolarHBondContact CA-O 3.38Å; M125-T270 PolarHBondContact N-O 3.18Å; W174-T270 HydrophobicContact CE3-CG2 4.41Å; W174-T270 HydrophobicContact CH2-CG2 3.67Å; W174-T270 HydrophobicContact CZ2-CG2 4Å; W174-T270 HydrophobicContact CZ3-CG2 3.89Å; H230-T270 WeakPolarHBondContact O-CA 3.34Å
271T98.5Very high98Very high0 Ų040.2 Ų40.20%023%0.226CC..EExtended strand (participates in β ladder)trans-75.5141.4172.243.70000111.5I127 L226 H227 M229 H230 Y232 F269I127-T271 HydrophobicContact CG2-CG2 3.88Å; L226-T271 HydrophobicContact CB-CG2 3.86Å; L226-T271 HydrophobicContact CD1-CG2 3.65Å; L226-T271 HydrophobicContact CG-CG2 4.41Å; H227-T271 VanDerWaalsContact O-CB 3.24Å; H227-T271 WeakPolarHBondContact O-CB 3.25Å; H227-T271 PolarHBondContact O-OG1 3.29Å; M229-T271 WeakPolarHBondContact CA-O 3.29Å; M229-T271 PolarHBondContact N-O 3.37Å; M229-T271 PolarHBondContact N-OG1 3.06Å; H230-T271 PolarHBondContact N-OG1 3.32Å; H230-T271 PolarHBondContact O-N 3.22Å; H230-T271 PolarHBondContact O-OG1 3.37Å; H230-T271 VanDerWaalsContact O-OG1 3.07Å; Y232-T271 HydrophobicContact CD2-CG2 3.66Å; Y232-T271 HydrophobicContact CE2-CG2 3.71Å; F269-T271 HydrophobicContact CD2-CG2 4.32Å; F269-T271 HydrophobicContact CE2-CG2 3.82Å
272V98.8Very high98Very high0 Ų045.1 Ų45.10%024%0.238CC..EExtended strand (participates in β ladder)trans-146.1152.5175.5-61.20000110.7E124 M125 I126 I127 W174 M229 A274 Y275 Q276E124-V272 HydrophobicContact CB-CG2 4.1Å; E124-V272 HydrophobicContact CG-CG1 4.48Å; M125-V272 PolarHBondContact O-N 2.95Å; I126-V272 CarbonylContact C-O 3.56Å; I126-V272 VanDerWaalsContact CA-O 3.28Å; I126-V272 WeakPolarHBondContact CA-O 3.42Å; I126-V272 HydrophobicContact CD1-CG2 4Å; I127-V272 PolarHBondContact N-O 3.04Å; W174-V272 HydrophobicContact CH2-CG1 3.8Å; W174-V272 HydrophobicContact CZ2-CG1 4.25Å; M229-V272 HydrophobicContact SD-CG1 4.06Å; V272-A274 WeakPolarHBondContact CB-O 3.18Å; V272-A274 WeakPolarHBondContact CG2-O 3.28Å; V272-Y275 HydrophobicContact CG2-CD1 4.33Å; V272-Q276 HydrophobicContact CG1-CG 4Å
273T98.3Very high98Very high86 Ų8644.4 Ų44.453%0.52824%0.236SC..SBendtrans-82.5-25.517047.50000112.3I127 S228I127-T273 HydrophobicContact CG1-CG2 4.42Å; S228-T273 PolarHBondContact OG-N 3.43Å
274A98.1Very high98Very high53 Ų5341.1 Ų41.144%0.43821%0.212SC..SBendtrans-147.1146.7171.500000109.4V272 Q276V272-A274 WeakPolarHBondContact CB-O 3.18Å; V272-A274 WeakPolarHBondContact CG2-O 3.28Å; A274-Q276 PolarHBondContact O-N 2.79Å; A274-Q276 PolarHBondContact O-NE2 3.47Å
275Y98.5Very high97.9Very high64 Ų6441.4 Ų41.425%0.25122%0.215SC..  trans-60.1135.9-176.9-65.2-59.3000112.4E124 I126 V272 I280 T281 K284E124-Y275 HydrophobicContact CB-CD1 3.96Å; E124-Y275 HydrophobicContact CB-CE1 4.27Å; E124-Y275 WeakPolarHBondContact OE2-CA 3.41Å; E124-Y275 WeakPolarHBondContact OE2-CD1 3.45Å; I126-Y275 HydrophobicContact CD1-CD1 3.93Å; I126-Y275 HydrophobicContact CD1-CD2 4.08Å; I126-Y275 HydrophobicContact CD1-CE1 3.9Å; I126-Y275 HydrophobicContact CD1-CE2 4.05Å; I126-Y275 HydrophobicContact CD1-CG 4.01Å; I126-Y275 HydrophobicContact CG1-CD1 4.16Å; I126-Y275 HydrophobicContact CG1-CD2 4.4Å; I126-Y275 HydrophobicContact CG1-CE1 3.59Å; I126-Y275 HydrophobicContact CG1-CE2 3.87Å; I126-Y275 VanDerWaalsContact CG1-CZ 3.42Å; V272-Y275 HydrophobicContact CG2-CD1 4.33Å; Y275-I280 HydrophobicContact CD1-CG2 4.14Å; Y275-I280 HydrophobicContact CE1-CG2 4.23Å; Y275-T281 VanDerWaalsContact CB-OG1 3.31Å; Y275-T281 WeakPolarHBondContact CB-OG1 3.48Å; Y275-T281 HydrophobicContact CD2-CG2 4.41Å; Y275-K284 HydrophobicContact CE1-CD 4.29Å; Y275-K284 HydrophobicContact CE1-CG 4.05Å; Y275-K284 HydrophobicContact CE2-CG 4.23Å; Y275-K284 WeakPolarHBondContact OH-CD 3.46Å
276Q98.4Very high97.9Very high32 Ų3241.3 Ų41.315%0.1521%0.208CC..  trans-97.2-54.6179.8-52.3-65.5-72.900110.5E124 Y167 Y169 W174 M229 V272 A274 Q278E124-Q276 PolarHBondContact OE2-N 2.82Å; Y167-Q276 HydrophobicContact CD1-CB 3.76Å; Y167-Q276 HydrophobicContact CD2-CB 4.28Å; Y167-Q276 HydrophobicContact CE1-CB 4.48Å; Y167-Q276 HydrophobicContact CG-CB 3.62Å; Y167-Q276 HydrophobicContact CG-CG 4.5Å; Y169-Q276 WeakPolarHBondContact CE1-O 3.36Å; Y169-Q276 PolarHBondContact OH-OE1 3.14Å; W174-Q276 HydrophobicContact CH2-CB 4.36Å; W174-Q276 HydrophobicContact CH2-CG 3.84Å; W174-Q276 HydrophobicContact CZ2-CB 4.23Å; W174-Q276 HydrophobicContact CZ2-CG 4.16Å; M229-Q276 HydrophobicContact CE-CG 4.4Å; V272-Q276 HydrophobicContact CG1-CG 4Å; A274-Q276 PolarHBondContact O-N 2.79Å; A274-Q276 PolarHBondContact O-NE2 3.47Å; Q276-Q278 PolarHBondContact O-N 2.89Å
277N97.6Very high97.8Very high9 Ų944.7 Ų44.75%0.04822%0.219CC..  trans-79.4116177-172.6-7.5000111.4I121 E124 Y167 Q279 I280 T281I121-N277 VanDerWaalsContact CG2-ND2 3.31Å; I121-N277 WeakPolarHBondContact CG2-ND2 3.23Å; I121-N277 PolarHBondContact O-ND2 2.82Å; E124-N277 WeakPolarHBondContact OE1-CB 3.37Å; E124-N277 PolarHBondContact OE1-N 2.96Å; Y167-N277 HydrophobicContact CE2-CB 4.02Å; N277-Q279 PolarHBondContact ND2-OE1 2.69Å; N277-Q279 PolarHBondContact O-N 3.02Å; N277-Q279 WeakPolarHBondContact OD1-CB 3.39Å; N277-Q279 PolarHBondContact OD1-N 2.86Å; N277-I280 HydrophobicContact CB-CB 4.46Å; N277-I280 HydrophobicContact CB-CG1 4Å; N277-I280 WeakPolarHBondContact O-CB 3.06Å; N277-I280 PolarHBondContact O-N 2.95Å; N277-T281 PolarHBondContact O-N 2.91Å; N277-T281 VanDerWaalsContact O-N 3.15Å; N277-T281 PolarHBondContact O-OG1 2.88Å
278Q96.6Very high97.7Very high105 Ų10545.7 Ų45.749%0.49122%0.224SC..Hα-helixtrans-64.5-22.4178.2-63.1-58.1-46.400113.9Q276 T281 R282Q276-Q278 PolarHBondContact O-N 2.89Å; Q278-T281 PolarHBondContact O-N 2.87Å; Q278-R282 WeakPolarHBondContact O-CG 3.32Å; Q278-R282 PolarHBondContact O-N 2.96Å
279Q97.7Very high97.5Very high105 Ų10548.4 Ų48.449%0.49124%0.243SC..Hα-helixtrans-66.7-40171.3-64.1172.8-41.100111.1I121 N277 R282 L283I121-Q279 HydrophobicContact CD1-CB 4.49Å; I121-Q279 HydrophobicContact CG2-CB 3.59Å; N277-Q279 PolarHBondContact ND2-OE1 2.69Å; N277-Q279 PolarHBondContact O-N 3.02Å; N277-Q279 WeakPolarHBondContact OD1-CB 3.39Å; N277-Q279 PolarHBondContact OD1-N 2.86Å; Q279-R282 PolarHBondContact O-N 3.33Å; Q279-L283 PolarHBondContact O-N 2.78Å
280I97.9Very high97.2Very high0 Ų057.5 Ų57.50%028%0.283CS..Hα-helixtrans-62.5-49.2171.6-60.7-68.5000109.3F118 I121 G122 E124 Y275 N277 R282 L283 K284F118-I280 HydrophobicContact CD1-CD1 3.96Å; F118-I280 HydrophobicContact CD1-CG2 4.39Å; F118-I280 HydrophobicContact CE1-CG2 4.29Å; I121-I280 HydrophobicContact CB-CD1 3.67Å; I121-I280 HydrophobicContact CB-CG1 4.48Å; I121-I280 HydrophobicContact CG2-CD1 3.47Å; I121-I280 VanDerWaalsContact CG2-CD1 3.47Å; I121-I280 HydrophobicContact CG2-CG1 3.74Å; G122-I280 VanDerWaalsContact O-CD1 3.29Å; G122-I280 WeakPolarHBondContact O-CD1 3.31Å; E124-I280 HydrophobicContact CB-CG2 4.08Å; E124-I280 HydrophobicContact CG-CG1 4.29Å; E124-I280 HydrophobicContact CG-CG2 4.46Å; Y275-I280 HydrophobicContact CD1-CG2 4.14Å; Y275-I280 HydrophobicContact CE1-CG2 4.23Å; N277-I280 HydrophobicContact CB-CB 4.46Å; N277-I280 HydrophobicContact CB-CG1 4Å; N277-I280 WeakPolarHBondContact O-CB 3.06Å; N277-I280 PolarHBondContact O-N 2.95Å; I280-R282 VanDerWaalsContact C-N 3.3Å; I280-R282 PolarHBondContact O-N 3.1Å; I280-L283 PolarHBondContact O-N 3.1Å; I280-L283 VanDerWaalsContact O-N 3.13Å; I280-K284 HydrophobicContact CG2-CD 4.31Å; I280-K284 HydrophobicContact CG2-CG 3.84Å; I280-K284 WeakPolarHBondContact O-CG 3.32Å; I280-K284 PolarHBondContact O-N 3.32Å
281T97.2Very high97Very high29 Ų2957.9 Ų57.918%0.17829%0.286CS..Hα-helixtrans-51.5-47.3178.3-52.60000112.3Y275 N277 Q278 K284 I285Y275-T281 VanDerWaalsContact CB-OG1 3.31Å; Y275-T281 WeakPolarHBondContact CB-OG1 3.48Å; Y275-T281 HydrophobicContact CD2-CG2 4.41Å; N277-T281 PolarHBondContact O-N 2.91Å; N277-T281 VanDerWaalsContact O-N 3.15Å; N277-T281 PolarHBondContact O-OG1 2.88Å; Q278-T281 PolarHBondContact O-N 2.87Å; T281-K284 PolarHBondContact O-N 2.94Å; T281-I285 HydrophobicContact CG2-CD1 4.06Å; T281-I285 VanDerWaalsContact O-CG1 3.31Å; T281-I285 WeakPolarHBondContact O-CG1 3.35Å; T281-I285 PolarHBondContact O-N 3.24Å
282R96.8Very high96.6Very high166 Ų16664.7 Ų64.763%0.62632%0.316SS*.Hα-helixtrans-61.5-52.2175.9-69169.8-171.71702.4111.7Q278 Q279 I280 K284 I285 D286Q278-R282 WeakPolarHBondContact O-CG 3.32Å; Q278-R282 PolarHBondContact O-N 2.96Å; Q279-R282 PolarHBondContact O-N 3.33Å; I280-R282 VanDerWaalsContact C-N 3.3Å; I280-R282 PolarHBondContact O-N 3.1Å; R282-K284 VanDerWaalsContact C-N 3.28Å; R282-K284 PolarHBondContact O-N 3.05Å; R282-I285 WeakPolarHBondContact O-CA 3.5Å; R282-I285 WeakPolarHBondContact O-CB 3.31Å; R282-I285 PolarHBondContact O-N 3.24Å; R282-D286 VanDerWaalsContact O-CG 3.23Å; R282-D286 PolarHBondContact O-N 2.74Å
283L97.6Very high96.3Very high20 Ų2068 Ų6811%0.10535%0.35CS..Hα-helixtrans-62.9-32.4-180-171.464.5000112.7R117 F118 I121 Q279 I280 R287R117-L283 HydrophobicContact CB-CD2 4.16Å; R117-L283 WeakPolarHBondContact O-CD2 3.39Å; F118-L283 HydrophobicContact CD1-CD2 3.65Å; F118-L283 HydrophobicContact CD1-CG 4.21Å; F118-L283 HydrophobicContact CD2-CD2 4.19Å; F118-L283 HydrophobicContact CE1-CB 3.81Å; F118-L283 HydrophobicContact CE1-CD2 3.63Å; F118-L283 HydrophobicContact CE1-CG 3.64Å; F118-L283 HydrophobicContact CE2-CD2 4.17Å; F118-L283 HydrophobicContact CE2-CG 4.16Å; F118-L283 HydrophobicContact CG-CD2 3.92Å; F118-L283 HydrophobicContact CZ-CB 4.11Å; F118-L283 HydrophobicContact CZ-CD2 3.9Å; F118-L283 HydrophobicContact CZ-CG 3.61Å; I121-L283 HydrophobicContact CD1-CD2 3.92Å; Q279-L283 PolarHBondContact O-N 2.78Å; I280-L283 PolarHBondContact O-N 3.1Å; I280-L283 VanDerWaalsContact O-N 3.13Å; L283-R287 HydrophobicContact CD1-CG 3.71Å; L283-R287 HydrophobicContact CG-CG 4.3Å; L283-R287 VanDerWaalsContact O-CB 3.3Å; L283-R287 WeakPolarHBondContact O-CB 3.24Å; L283-R287 VanDerWaalsContact O-CG 3.26Å; L283-R287 WeakPolarHBondContact O-CG 3.36Å; L283-R287 PolarHBondContact O-N 3.03Å; L283-R287 VanDerWaalsContact O-N 3.16Å
284K97.7Very high95.9Very high6 Ų671.3 Ų71.33%0.02636%0.357CS..Hα-helixtrans-64.9-45.6170.3-62-73.7-169-151.20110.5F118 E124 F135 Y275 I280 T281 R282 N288F118-K284 HydrophobicContact CD1-CD 4.49Å; F118-K284 HydrophobicContact CE1-CD 3.56Å; F118-K284 HydrophobicContact CE1-CG 3.87Å; F118-K284 HydrophobicContact CZ-CD 3.71Å; F118-K284 HydrophobicContact CZ-CG 4.21Å; E124-K284 WeakPolarHBondContact O-CE 3.38Å; E124-K284 PolarHBondContact O-NZ 3.08Å; F135-K284 HydrophobicContact CD1-CD 3.85Å; F135-K284 PolarHBondContact O-NZ 3.31Å; Y275-K284 HydrophobicContact CE1-CD 4.29Å; Y275-K284 HydrophobicContact CE1-CG 4.05Å; Y275-K284 HydrophobicContact CE2-CG 4.23Å; Y275-K284 WeakPolarHBondContact OH-CD 3.46Å; I280-K284 HydrophobicContact CG2-CD 4.31Å; I280-K284 HydrophobicContact CG2-CG 3.84Å; I280-K284 WeakPolarHBondContact O-CG 3.32Å; I280-K284 PolarHBondContact O-N 3.32Å; T281-K284 PolarHBondContact O-N 2.94Å; R282-K284 VanDerWaalsContact C-N 3.28Å; R282-K284 PolarHBondContact O-N 3.05Å; K284-N288 WeakPolarHBondContact O-CB 3.4Å; K284-N288 PolarHBondContact O-N 3.32Å
285I96.8Very high95.5Very high40 Ų4072.8 Ų72.821%0.20535%0.352CS..Hα-helixtrans-60.1-52.1177.2-73.3165.7000110.8T281 R282 R287 F294 R295T281-I285 HydrophobicContact CG2-CD1 4.06Å; T281-I285 VanDerWaalsContact O-CG1 3.31Å; T281-I285 WeakPolarHBondContact O-CG1 3.35Å; T281-I285 PolarHBondContact O-N 3.24Å; R282-I285 WeakPolarHBondContact O-CA 3.5Å; R282-I285 WeakPolarHBondContact O-CB 3.31Å; R282-I285 PolarHBondContact O-N 3.24Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.21Å; I285-F294 HydrophobicContact CD1-CB 4.01Å; I285-F294 HydrophobicContact CG1-CB 3.95Å; I285-F294 HydrophobicContact CG2-CB 3.85Å; I285-F294 WeakPolarHBondContact CG2-O 3.32Å; I285-R295 HydrophobicContact CG2-CB 4.36Å; I285-R295 HydrophobicContact CG2-CG 3.65Å; I285-R295 WeakPolarHBondContact O-CG 3.24Å; I285-R295 PolarHBondContact O-NE 3.29Å
286D96.1Very high94.2Very high81 Ų8176.9 Ų76.943%0.43338%0.378SS..Hα-helixtrans-64.2-31.3-175.3-63.2-24.8000113.6R282 R295R282-D286 VanDerWaalsContact O-CG 3.23Å; R282-D286 PolarHBondContact O-N 2.74Å; D286-R295 PolarHBondContact O-NE 3.4Å; D286-R295 PolarHBondContact O-NH1 2.95Å; D286-R295 VanDerWaalsContact O-NH1 3.14Å; D286-R295 PolarHBondContact O-NH2 3.26Å; D286-R295 VanDerWaalsContact O-NH2 3.14Å
287R96.6Very high92.1Very high101 Ų10179.9 Ų79.938%0.38140%0.402SS..Hα-helixtrans-108.4-30-171.3-53.7-58.1176.894.1-4.4113.9L114 F135 L283 I285 P289L114-R287 HydrophobicContact CD1-CB 3.98Å; L114-R287 HydrophobicContact CD1-CG 3.82Å; F135-R287 HydrophobicContact CE1-CB 4.02Å; F135-R287 VanDerWaalsContact CZ-C 3.45Å; F135-R287 HydrophobicContact CZ-CB 3.98Å; L283-R287 HydrophobicContact CD1-CG 3.71Å; L283-R287 HydrophobicContact CG-CG 4.3Å; L283-R287 VanDerWaalsContact O-CB 3.3Å; L283-R287 WeakPolarHBondContact O-CB 3.24Å; L283-R287 VanDerWaalsContact O-CG 3.26Å; L283-R287 WeakPolarHBondContact O-CG 3.36Å; L283-R287 PolarHBondContact O-N 3.03Å; L283-R287 VanDerWaalsContact O-N 3.16Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.21Å; R287-P289 WeakPolarHBondContact O-CD 3.47Å
288N96Very high90.1Very high22 Ų2281.2 Ų81.212%0.11842%0.418CS..  trans-77120178.7-171.9-20.2000110.8F135 K284 F290 A291 R295F135-N288 HydrophobicContact CD1-CB 3.89Å; F135-N288 HydrophobicContact CD2-CB 3.9Å; F135-N288 HydrophobicContact CE1-CB 3.81Å; F135-N288 HydrophobicContact CE2-CB 3.83Å; F135-N288 HydrophobicContact CG-CB 3.95Å; F135-N288 VanDerWaalsContact CZ-CA 3.43Å; F135-N288 HydrophobicContact CZ-CB 3.79Å; K284-N288 WeakPolarHBondContact O-CB 3.4Å; K284-N288 PolarHBondContact O-N 3.32Å; N288-F290 PolarHBondContact O-N 3.08Å; N288-F290 WeakPolarHBondContact OD1-CB 3.47Å; N288-F290 WeakPolarHBondContact OD1-CD2 3.44Å; N288-F290 PolarHBondContact OD1-N 3.33Å; N288-A291 HydrophobicContact CB-CB 4.02Å; N288-A291 PolarHBondContact O-N 3.21Å; N288-R295 PolarHBondContact O-NH2 2.9Å
289P94.5Very high88Confident89 Ų8987.2 Ų87.258%0.57844%0.436SS*.G310 helixtrans-57.6-37178.1-25.235.7000113R287 A291 K292R287-P289 WeakPolarHBondContact O-CD 3.47Å; P289-A291 PolarHBondContact O-N 3.37Å; P289-K292 VanDerWaalsContact O-CB 3.32Å; P289-K292 WeakPolarHBondContact O-CB 3.37Å; P289-K292 PolarHBondContact O-N 3.39Å; P289-K292 VanDerWaalsContact O-N 3.15Å
290F93.5Very high85.8Confident193 Ų19389.6 Ų89.685%0.84645%0.453SS*.G310 helixtrans-71.4-8.1178.7-56.9-73000113.6N288N288-F290 PolarHBondContact O-N 3.08Å; N288-F290 WeakPolarHBondContact OD1-CB 3.47Å; N288-F290 WeakPolarHBondContact OD1-CD2 3.44Å; N288-F290 PolarHBondContact OD1-N 3.33Å
291A93.7Very high83.6Confident14 Ų1495.9 Ų95.912%0.11648%0.476CS..G310 helixtrans-102.67.117400000113.3N288 P289 G293 F294N288-A291 HydrophobicContact CB-CB 4.02Å; N288-A291 PolarHBondContact O-N 3.21Å; P289-A291 PolarHBondContact O-N 3.37Å; A291-G293 PolarHBondContact O-N 3.34Å; A291-G293 VanDerWaalsContact O-N 3.1Å; A291-F294 PolarHBondContact O-N 2.95Å
292K90.7Very high81.7Confident143 Ų14398.5 Ų98.562%0.62249%0.492SS*.G310 helixtrans-52.3-36.2-176-175.8178.7176.6-1760113.7P289 F294 R295P289-K292 VanDerWaalsContact O-CB 3.32Å; P289-K292 WeakPolarHBondContact O-CB 3.37Å; P289-K292 PolarHBondContact O-N 3.39Å; P289-K292 VanDerWaalsContact O-N 3.15Å; K292-F294 PolarHBondContact O-N 3.16Å; K292-F294 VanDerWaalsContact O-N 3.16Å; K292-R295 WeakPolarHBondContact O-CB 3.38Å; K292-R295 PolarHBondContact O-N 2.82Å
293G91.3Very high79.8Confident70 Ų7093 Ų9372%0.72249%0.488SS*.G310 helixtrans-62.8-17177.900000115.3A291A291-G293 PolarHBondContact O-N 3.34Å; A291-G293 VanDerWaalsContact O-N 3.1Å
294F89.8Confident77.9Confident155 Ų15597.9 Ų97.968%0.6851%0.513SS*.G310 helixtrans-95.3-4175.2-60.3-79.1000113.4I285 A291 K292 D296I285-F294 HydrophobicContact CD1-CB 4.01Å; I285-F294 HydrophobicContact CG1-CB 3.95Å; I285-F294 HydrophobicContact CG2-CB 3.85Å; I285-F294 WeakPolarHBondContact CG2-O 3.32Å; A291-F294 PolarHBondContact O-N 2.95Å; K292-F294 PolarHBondContact O-N 3.16Å; K292-F294 VanDerWaalsContact O-N 3.16Å; F294-D296 VanDerWaalsContact C-N 3.26Å; F294-D296 PolarHBondContact O-N 2.74Å
295R90.6Very high76Confident85 Ų85102.1 Ų102.132%0.32153%0.533SS..SBendtrans-79.673.8177.1-59.9178.2-165.5-173.12110.1I285 D286 N288 K292 S297I285-R295 HydrophobicContact CG2-CB 4.36Å; I285-R295 HydrophobicContact CG2-CG 3.65Å; I285-R295 WeakPolarHBondContact O-CG 3.24Å; I285-R295 PolarHBondContact O-NE 3.29Å; D286-R295 PolarHBondContact O-NE 3.4Å; D286-R295 PolarHBondContact O-NH1 2.95Å; D286-R295 VanDerWaalsContact O-NH1 3.14Å; D286-R295 PolarHBondContact O-NH2 3.26Å; D286-R295 VanDerWaalsContact O-NH2 3.14Å; N288-R295 PolarHBondContact O-NH2 2.9Å; K292-R295 WeakPolarHBondContact O-CB 3.38Å; K292-R295 PolarHBondContact O-N 2.82Å; R295-S297 PolarHBondContact O-N 2.78Å; R295-S297 PolarHBondContact O-OG 2.93Å
296D71.4Confident74.1Confident150 Ų150102.4 Ų102.480%0.80254%0.541SS*.  trans30.846.6172.3-74.1-46.4000115.8F294 G298F294-D296 VanDerWaalsContact C-N 3.26Å; F294-D296 PolarHBondContact O-N 2.74Å; D296-G298 VanDerWaalsContact C-N 3.26Å; D296-G298 PolarHBondContact O-N 2.97Å
297S55Low72.7Confident94 Ų94103.2 Ų103.266%0.65754%0.544SS*.  trans-80.274.5-174-66.70000110.7R295R295-S297 PolarHBondContact O-N 2.78Å; R295-S297 PolarHBondContact O-OG 2.93Å
298G53.6Low71.3Confident37 Ų37104 Ų10438%0.38155%0.554SS.*SBendtrans91.126.2164.400000116.8D296 N300 R301D296-G298 VanDerWaalsContact C-N 3.26Å; D296-G298 PolarHBondContact O-N 2.97Å; G298-N300 PolarHBondContact O-N 3.42Å; G298-N300 VanDerWaalsContact O-N 3.1Å; G298-R301 WeakPolarHBondContact O-CB 3.47Å; G298-R301 PolarHBondContact O-N 3.22Å
299R53.4Low69.4Low231 Ų231107.7 Ų107.787%0.87257%0.57SS**THydrogen-bonded Turntrans-63.9-11.9169.3-163.7169.5-178.1178.80.9113.4
300N51.5Low67.8Low156 Ų156107 Ų10783%0.83457%0.565SS**THydrogen-bonded Turntrans-973.1169.8-65.9-17.9000114.2G298 T302G298-N300 PolarHBondContact O-N 3.42Å; G298-N300 VanDerWaalsContact O-N 3.1Å; N300-T302 VanDerWaalsContact C-N 3.34Å; N300-T302 PolarHBondContact O-N 3.07Å
301R52.7Low66.2Low132 Ų132106.2 Ų106.250%0.49856%0.557SS.*SBendtrans-66.5103.2155.2-82-174.7159.2-140.3-15.2105.9G298 G303 E309G298-R301 WeakPolarHBondContact O-CB 3.47Å; G298-R301 PolarHBondContact O-N 3.22Å; R301-G303 PolarHBondContact O-N 2.86Å; R301-E309 IonicContact CZ-OE1 3.66Å; R301-E309 IonicContact CZ-OE2 4Å; R301-E309 IonicContact NH1-OE1 3.66Å; R301-E309 PolarHBondContact NH1-OE1 2.89Å; R301-E309 IonicContact NH1-OE2 3.39Å; R301-E309 PolarHBondContact NH1-OE2 2.58Å; R301-E309 IonicContact NH2-OE1 3.65Å; R301-E309 PolarHBondContact NH2-OE1 3.47Å; R301-E309 IonicContact NH2-OE2 2.63Å
302T56.9Low64.6Low83 Ų83108.7 Ų108.751%0.50958%0.578SS.*  trans-55.5142.9174.361.80000108.4N300 L304 E305N300-T302 VanDerWaalsContact C-N 3.34Å; N300-T302 PolarHBondContact O-N 3.07Å; T302-L304 PolarHBondContact O-N 3.45Å; T302-E305 PolarHBondContact O-N 3.06Å
303G56.2Low63.1Low52 Ų52110.7 Ų110.754%0.53659%0.587SS.*Hα-helixtrans-55.1-26.2-178.700000112.8R301 E305 A306 I307R301-G303 PolarHBondContact O-N 2.86Å; G303-E305 PolarHBondContact O-N 3.01Å; G303-A306 PolarHBondContact O-N 2.93Å; G303-I307 WeakPolarHBondContact O-CB 3.44Å; G303-I307 WeakPolarHBondContact O-CD1 3.48Å; G303-I307 WeakPolarHBondContact O-CG1 3.37Å; G303-I307 PolarHBondContact O-N 3.31Å
304L58.6Low61.4Low121 Ų121117.2 Ų117.263%0.63459%0.59SS**Hα-helixtrans-59.2-39.5173.2-157.475.3000113.4T302 I307 M308T302-L304 PolarHBondContact O-N 3.45Å; L304-I307 PolarHBondContact O-N 2.54Å; L304-M308 HydrophobicContact CG-SD 4.46Å; L304-M308 VanDerWaalsContact O-CB 3.31Å; L304-M308 WeakPolarHBondContact O-CB 3.44Å; L304-M308 WeakPolarHBondContact O-CG 3.48Å; L304-M308 PolarHBondContact O-N 3.3Å
305E57.3Low59.7Low95 Ų95118.5 Ų118.544%0.44459%0.59SS.*Hα-helixtrans-70.7-43.3179-74.8-174.5154.600112.3T302 G303 I307 M308 E309T302-E305 PolarHBondContact O-N 3.06Å; G303-E305 PolarHBondContact O-N 3.01Å; E305-I307 VanDerWaalsContact C-N 3.28Å; E305-I307 PolarHBondContact O-N 2.69Å; E305-M308 CarbonylContact O-C 3.59Å; E305-M308 PolarHBondContact O-N 3.33Å; E305-M308 VanDerWaalsContact O-N 3.12Å; E305-E309 PolarHBondContact O-N 3.33Å
306A57.3Low57.6Low46 Ų46119.1 Ų119.138%0.3861%0.606SS.*Hα-helixtrans-64.3-36.3175.100000111.6G303 T310G303-A306 PolarHBondContact O-N 2.93Å; A306-T310 WeakPolarHBondContact O-CB 3.32Å; A306-T310 PolarHBondContact O-N 3.49Å; A306-T310 VanDerWaalsContact O-N 3.08Å; A306-T310 PolarHBondContact O-OG1 3.19Å
307I65.1Low56.5Low98 Ų98118.2 Ų118.250%0.50361%0.608SS.*Hα-helixtrans-68.4-37.5171.8-69166.8000110.9G303 L304 E305 T310 Y311G303-I307 WeakPolarHBondContact O-CB 3.44Å; G303-I307 WeakPolarHBondContact O-CD1 3.48Å; G303-I307 WeakPolarHBondContact O-CG1 3.37Å; G303-I307 PolarHBondContact O-N 3.31Å; L304-I307 PolarHBondContact O-N 2.54Å; E305-I307 VanDerWaalsContact C-N 3.28Å; E305-I307 PolarHBondContact O-N 2.69Å; I307-T310 WeakPolarHBondContact O-CB 3.45Å; I307-T310 PolarHBondContact O-N 3Å; I307-Y311 HydrophobicContact CG2-CD2 3.88Å; I307-Y311 HydrophobicContact CG2-CE2 4.22Å; I307-Y311 WeakPolarHBondContact O-CB 3.26Å; I307-Y311 PolarHBondContact O-N 2.87Å
308M67.2Low56.5Low119 Ų119119.3 Ų119.359%0.58661%0.61SS**Hα-helixtrans-68.7-44.7176.2-89.1171.245.500113L304 E305 T310 Y311 A312L304-M308 HydrophobicContact CG-SD 4.46Å; L304-M308 VanDerWaalsContact O-CB 3.31Å; L304-M308 WeakPolarHBondContact O-CB 3.44Å; L304-M308 WeakPolarHBondContact O-CG 3.48Å; L304-M308 PolarHBondContact O-N 3.3Å; E305-M308 CarbonylContact O-C 3.59Å; E305-M308 PolarHBondContact O-N 3.33Å; E305-M308 VanDerWaalsContact O-N 3.12Å; M308-T310 VanDerWaalsContact C-N 3.26Å; M308-T310 PolarHBondContact O-N 3.24Å; M308-Y311 PolarHBondContact O-N 3.07Å; M308-A312 WeakPolarHBondContact O-CB 3.49Å; M308-A312 PolarHBondContact O-N 2.81Å
309E57.8Low56.4Low98 Ų98128.1 Ų128.146%0.45863%0.632SS.*Hα-helixtrans-58.5-41.7171.8-76.3-179.9159.200110.1R301 E305 A312 F313R301-E309 IonicContact CZ-OE1 3.66Å; R301-E309 IonicContact CZ-OE2 4Å; R301-E309 IonicContact NH1-OE1 3.66Å; R301-E309 PolarHBondContact NH1-OE1 2.89Å; R301-E309 IonicContact NH1-OE2 3.39Å; R301-E309 PolarHBondContact NH1-OE2 2.58Å; R301-E309 IonicContact NH2-OE1 3.65Å; R301-E309 PolarHBondContact NH2-OE1 3.47Å; R301-E309 IonicContact NH2-OE2 2.63Å; E305-E309 PolarHBondContact O-N 3.33Å; E309-A312 PolarHBondContact O-N 2.91Å; E309-F313 WeakPolarHBondContact O-CB 3.38Å; E309-F313 PolarHBondContact O-N 3.13Å
310T59.5Low56.1Low75 Ų75123.3 Ų123.346%0.4663%0.628SS.*Hα-helixtrans-63.7-46.3174.6-57.10000111.8A306 I307 M308 A312 F313 W314A306-T310 WeakPolarHBondContact O-CB 3.32Å; A306-T310 PolarHBondContact O-N 3.49Å; A306-T310 VanDerWaalsContact O-N 3.08Å; A306-T310 PolarHBondContact O-OG1 3.19Å; I307-T310 WeakPolarHBondContact O-CB 3.45Å; I307-T310 PolarHBondContact O-N 3Å; M308-T310 VanDerWaalsContact C-N 3.26Å; M308-T310 PolarHBondContact O-N 3.24Å; T310-A312 VanDerWaalsContact C-N 3.3Å; T310-A312 PolarHBondContact O-N 3.45Å; T310-F313 PolarHBondContact O-N 3.29Å; T310-F313 VanDerWaalsContact O-N 3.16Å; T310-W314 PolarHBondContact O-N 2.84Å; T310-W314 VanDerWaalsContact O-N 3.08Å
311Y60Low55.9Low176 Ų176121.6 Ų121.669%0.6962%0.618SS**Hα-helixtrans-64.9-31.7176.9-104.9-92.1000113I307 M308 R315I307-Y311 HydrophobicContact CG2-CD2 3.88Å; I307-Y311 HydrophobicContact CG2-CE2 4.22Å; I307-Y311 WeakPolarHBondContact O-CB 3.26Å; I307-Y311 PolarHBondContact O-N 2.87Å; M308-Y311 PolarHBondContact O-N 3.07Å; Y311-R315 WeakPolarHBondContact O-CG 3.41Å; Y311-R315 PolarHBondContact O-N 3.33Å
312A60.4Low55.9Low67 Ų67118.4 Ų118.455%0.55461%0.614SS**Hα-helixtrans-70-38.4172.200000111.4M308 E309 T310 W314 R315M308-A312 WeakPolarHBondContact O-CB 3.49Å; M308-A312 PolarHBondContact O-N 2.81Å; E309-A312 PolarHBondContact O-N 2.91Å; T310-A312 VanDerWaalsContact C-N 3.3Å; T310-A312 PolarHBondContact O-N 3.45Å; A312-W314 VanDerWaalsContact C-N 3.33Å; A312-W314 PolarHBondContact O-N 3.32Å; A312-R315 PolarHBondContact O-N 3.15Å
313F59Low55.2Low184 Ų184122.9 Ų122.981%0.80763%0.626SS**Hα-helixtrans-68.4-29177.8-147.8-88.7000113.4E309 T310E309-F313 WeakPolarHBondContact O-CB 3.38Å; E309-F313 PolarHBondContact O-N 3.13Å; T310-F313 PolarHBondContact O-N 3.29Å; T310-F313 VanDerWaalsContact O-N 3.16Å
314W55.4Low55Low208 Ų208127 Ų12779%0.78863%0.632SS**THydrogen-bonded Turntrans-93.41175.9-68.9108.8000114.6T310 A312 P316T310-W314 PolarHBondContact O-N 2.84Å; T310-W314 VanDerWaalsContact O-N 3.08Å; A312-W314 VanDerWaalsContact C-N 3.33Å; A312-W314 PolarHBondContact O-N 3.32Å; W314-P316 WeakPolarHBondContact O-CD 3.46Å
315R55.5Low54.5Low181 Ų181125.5 Ų125.568%0.68363%0.625SS**SBendtrans-73.8125.9168.9-82.3-90.6-176.8101-1.6109.3Y311 A312Y311-R315 WeakPolarHBondContact O-CG 3.41Å; Y311-R315 PolarHBondContact O-N 3.33Å; A312-R315 PolarHBondContact O-N 3.15Å
316P46.4Very low54Low99 Ų99128.9 Ų128.964%0.64364%0.638SS**  trans-56.2143.4159.1-20.532.9000109.3W314 V318W314-P316 WeakPolarHBondContact O-CD 3.46Å; P316-V318 PolarHBondContact O-N 3.5Å
317P48.4Very low53.7Low131 Ų131131.2 Ų131.285%0.85165%0.648SS**  trans-67.395.1176.227.5-33.7000109.5R319P317-R319 PolarHBondContact O-N 2.8Å; P317-R319 VanDerWaalsContact O-N 3.16Å
318V54.8Low52.9Low116 Ų116133.7 Ų133.770%0.70366%0.662SS**  trans-61.9116.3170.9-176.50000106.8P316 T320P316-V318 PolarHBondContact O-N 3.5Å; V318-T320 PolarHBondContact O-N 2.75Å
319R50.5Low52Low223 Ų223136.7 Ų136.784%0.84268%0.677SS**  trans-57.1123.4171.8-84.5-175.3163.186.3-2108.3P317 L321P317-R319 PolarHBondContact O-N 2.8Å; P317-R319 VanDerWaalsContact O-N 3.16Å; R319-L321 PolarHBondContact O-N 3.39Å
320T48.1Very low51.5Low129 Ų129140.6 Ų140.679%0.79170%0.695SS**  trans-64.699.1166.7-41.30000107.3V318 T322V318-T320 PolarHBondContact O-N 2.75Å; T320-T322 PolarHBondContact O-N 3.47Å; T320-T322 VanDerWaalsContact O-N 3.14Å
321L46.7Very low50.5Low120 Ų120145.2 Ų145.263%0.62871%0.709SS**  trans-60116.4170.2-68.1172.3000107.3R319 D325R319-L321 PolarHBondContact O-N 3.39Å; L321-D325 HydrophobicContact CD2-CB 4.43Å; L321-D325 WeakPolarHBondContact CD2-OD2 3.33Å
322T52.3Low49.8Very low65 Ų65146.1 Ų146.140%0.39972%0.719SS.*  trans-80.6163.4175.564.50000108.9T320 E324 D325T320-T322 PolarHBondContact O-N 3.47Å; T320-T322 VanDerWaalsContact O-N 3.14Å; T322-E324 PolarHBondContact O-N 2.83Å; T322-E324 PolarHBondContact OG1-OE2 3.48Å; T322-D325 PolarHBondContact N-OD2 3.35Å; T322-D325 PolarHBondContact O-N 3.34Å
323F42.7Very low48.6Very low177 Ų177151.2 Ų151.278%0.77673%0.732SS**THydrogen-bonded Turntrans-60.1-20179-171.3-103.3000112.8
324E52.4Low47.4Very low140 Ų140145.6 Ų145.665%0.65473%0.725SS**THydrogen-bonded Turntrans-70-35.5179.3-61.6165.712600112.4T322 F326 T327T322-E324 PolarHBondContact O-N 2.83Å; T322-E324 PolarHBondContact OG1-OE2 3.48Å; E324-F326 PolarHBondContact O-N 3.18Å; E324-F326 VanDerWaalsContact O-N 3.15Å; E324-T327 PolarHBondContact O-N 3.01Å; E324-T327 PolarHBondContact O-OG1 3.37Å
325D47.8Very low46.3Very low89 Ų89139.2 Ų139.248%0.47672%0.724SS.*THydrogen-bonded Turntrans-58-31.1-179.6-75.5-42000112.9L321 T322 T327L321-D325 HydrophobicContact CD2-CB 4.43Å; L321-D325 WeakPolarHBondContact CD2-OD2 3.33Å; T322-D325 PolarHBondContact N-OD2 3.35Å; T322-D325 PolarHBondContact O-N 3.34Å; D325-T327 VanDerWaalsContact C-N 3.34Å
326F47.2Very low45.3Very low166 Ų166135.5 Ų135.573%0.72873%0.726SS**THydrogen-bonded Turntrans-75.4-19.8176.8-79-85.3000113.8E324E324-F326 PolarHBondContact O-N 3.18Å; E324-F326 VanDerWaalsContact O-N 3.15Å
327T51.3Low44.9Very low95 Ų95137.2 Ų137.258%0.58374%0.735SS**THydrogen-bonded Turntrans-84-25.7-175.766.40000113.1E324 D325 M329E324-T327 PolarHBondContact O-N 3.01Å; E324-T327 PolarHBondContact O-OG1 3.37Å; D325-T327 VanDerWaalsContact C-N 3.34Å; T327-M329 PolarHBondContact O-N 2.7Å
328N47.4Very low44.2Very low150 Ų150133.9 Ų133.980%0.80272%0.724SS**THydrogen-bonded Turntrans-89-1.1-167.7-143-1.7000114.6
329M47.5Very low43.3Very low181 Ų181135.6 Ų135.689%0.89274%0.735SS**THydrogen-bonded Turntrans-87.1-4.9174-84.5-173.167.100114.5T327T327-M329 PolarHBondContact O-N 2.7Å
330Q47.5Very low42.8Very low181 Ų181130.3 Ų130.385%0.84673%0.732SS**SBendtrans-136.254.3-172-157.4167.95.100115.5
331K38.8Very low43.1Very low171 Ų171129.9 Ų129.974%0.74373%0.732SS**  trans-145.456.2156.1-149.3-179.1177.7-174.60116.7Q333K331-Q333 VanDerWaalsContact C-N 3.26Å; K331-Q333 VanDerWaalsContact CE-O 3.24Å; K331-Q333 WeakPolarHBondContact CE-O 3.11Å; K331-Q333 PolarHBondContact O-N 3.35Å
332Q45.4Very low42.9Very low196 Ų196130 Ų13092%0.91674%0.737SS**  trans-80.874.1149.3-81.9-163-6.600110.6
333Q35.6Very low42.3Very low174 Ų174132.7 Ų132.781%0.81375%0.754SS**  trans-177.3141.3151.4-108.2170.117.500113.1K331K331-Q333 VanDerWaalsContact C-N 3.26Å; K331-Q333 VanDerWaalsContact CE-O 3.24Å; K331-Q333 WeakPolarHBondContact CE-O 3.11Å; K331-Q333 PolarHBondContact O-N 3.35Å
334G32.8Very low42.1Very low65 Ų65129.2 Ų129.267%0.6775%0.752SS**  trans81.7116.6143.500000119.8
335G33.7Very low41.4Very low74 Ų74127.3 Ų127.376%0.76375%0.754SS**  104.298.1124.500000119.1
336S34.5Very low41Very low103 Ų103130 Ų13072%0.7277%0.774SS**  32.4134.9124.5-162.40000121.5
337T36.8Very low40.2Very low136 Ų136125.7 Ų125.783%0.83478%0.776SS**  trans51.9137.614650.90000119.9
338G33.7Very low39.7Very low61 Ų61127.8 Ų127.863%0.62979%0.789SS**  cis155.8176.66.400000110.4
339T37.1Very low40.1Very low151 Ų151126.1 Ų126.193%0.92679%0.786SS**  trans63.5138.5169.650.30000120.5
340S38.5Very low39.6Very low113 Ų113122.7 Ų122.779%0.7978%0.78SS**  trans-85.6-173.3168.2-34.60000110.8
341P56.3Low40.1Very low119 Ų119119.7 Ų119.777%0.77378%0.776SS**  -154.6179.55842.8-19.6000120
342T42.4Very low40Very low122 Ų122117.6 Ų117.675%0.74878%0.783SS**  trans-38.1159.6169.256.20000121.7
343T38.4Very low39.4Very low122 Ų122112.2 Ų112.275%0.74878%0.78SS**  -177.6123113.736.60000109.7
344S39.4Very low39.5Very low105 Ų105109 Ų10973%0.73478%0.783SS**  56.4130.577.767.70000114.6
345S38.3Very low39.6Very low99 Ų99110.8 Ų110.869%0.69279%0.792SS**  -166.6125.651.751.50000113.5
346T38.1Very low39.8Very low147 Ų147116 Ų11690%0.90280%0.796SS**  58.5126.7107.464.70000121.1
347G31.5Very low39.9Very low74 Ų74119 Ų11976%0.76380%0.803SS**  trans-177.4146.9164.400000113.5
348T39.8Very low39.9Very low140 Ų140120.4 Ų120.486%0.85980%0.804SS**  trans-152.7177-172.354.60000110.9
349P55.7Low40Very low114 Ų114123 Ų12374%0.7481%0.813SS**  cis-130.3-179.6-27.328.7-6.5000115.4
350S36.9Very low40.5Very low110 Ų110122.2 Ų122.277%0.76981%0.811SS**  trans-16159152.1-58.60000120.1
351P58.9Low40.1Very low118 Ų118122.8 Ų122.877%0.76681%0.814SS**  -156.4-177.652.345-23.4000121.6
352S36.7Very low39Very low126 Ų126123.1 Ų123.188%0.88182%0.818SS**  trans90123152.9-610000120.8
353G32.9Very low38.8Very low83 Ų83122.2 Ų122.286%0.85682%0.817SS**  trans150.4120.8172.600000110.9
354A36.9Very low38.8Very low107 Ų107122 Ų12288%0.88482%0.818SS**  trans-136.4141.1-165.900000114.7
355A35.5Very low39.2Very low103 Ų103122.7 Ų122.785%0.85182%0.82SS**  trans-166.1143.4151.200000110.4
356H38.4Very low38.9Very low182 Ų182122.3 Ų122.384%0.84382%0.823SS**  trans-105.9147.1167.2-72.1-110.9000109.6
357L36.5Very low38.7Very low168 Ų168125 Ų12588%0.8882%0.822SS**  -179.5168.4107.2-93.8172.4000111.8
358L36.6Very low38.7Very low164 Ų164130.1 Ų130.186%0.85983%0.826SS**  trans-102.9160.6-167.2-67.8161.2000112.7
359S34.7Very low38.4Very low116 Ų116131.9 Ų131.981%0.81183%0.829SS**  trans-144138.4157.1-76.10000109.4
360P47.4Very low37.2Very low135 Ų135131 Ų13188%0.87783%0.832SS**  trans-83.9152.6-166.733.1-36000113.3
361S31.2Very low37.5Very low124 Ų124131 Ų13187%0.86783%0.829SS**  trans-122.3135.5163.5-167.50000108.5
362C32.1Very low36.2Very low126 Ų126132.6 Ų132.685%0.85183%0.831SS**  trans-141.3135.3-179.5-163.80000110.2
363S37.9Very low35.9Very low103 Ų103132.9 Ų132.972%0.7283%0.828SS**PPolyproline II helixtrans-92.3152.3-166.3-55.30000113.3
364P40.4Very low35.7Very low118 Ų118137.8 Ų137.877%0.76683%0.826SS**PPolyproline II helixtrans-73.1148.9166.332.4-34.6000111.3
365P47.2Very low35.3Very low119 Ų119139 Ų13977%0.77382%0.817SS**PPolyproline II helixtrans-77.6142.517631.7-34.3000112
366A31.4Very low35.1Very low92 Ų92140.8 Ų140.876%0.7682%0.817SS**PPolyproline II helixtrans-102.1139.4172.300000111
367F34.3Very low34.6Very low203 Ų203135.6 Ų135.689%0.8981%0.813SS**PPolyproline II helixtrans-94.6130172.6-76.8-88000110.7
368H31.1Very low34.3Very low182 Ų182133.7 Ų133.784%0.84381%0.812SS**PPolyproline II helixtrans-81139.9172.7-85.2-107.1000111.6
369L32.7Very low33.9Very low177 Ų177135.7 Ų135.793%0.92781%0.809SS**  trans-134.3141.8157.3-75175.8000109.3
370A32.1Very low33.6Very low96 Ų96136.4 Ų136.479%0.79380%0.799SS**  trans-114.6159.6179.100000110.7
371P41.6Very low32.8Very low110 Ų110134.1 Ų134.171%0.71479%0.786SS**  trans-106.6154.1-146.638.4-35.6000117.4
372N33.1Very low32.8Very low150 Ų150136.3 Ų136.380%0.80278%0.783SS**  trans57.3127.6145.8-62.6-19.4000121.3
373T30.3Very low32.7Very low133 Ų133136.9 Ų136.982%0.81678%0.777SS**  -169.5139.8104.920.30000114.7
374F29.3Very low32.2Very low185 Ų185137 Ų13781%0.81178%0.776SS**  trans46.5132.8146.9-98.5-102.5000125.6
375N28.5Very low31.6Very low132 Ų132138.6 Ų138.671%0.70678%0.778SS**  trans61.2114.5145.5-96.90.7000124
376V31.3Very low30.8Very low141 Ų141141.7 Ų141.786%0.85579%0.787SS**  26.8112.9125.5-171.20000118.3
377G27.6Very low30.7Very low73 Ų73139.9 Ų139.975%0.75378%0.778SS**  trans-160.6151.4168.200000112.7
378C28.9Very low30.5Very low128 Ų128138.5 Ų138.587%0.86578%0.779SS**  trans-82.6152.2-169.7-66.10000115.5
379R30Very low30.4Very low207 Ų207134.5 Ų134.578%0.78177%0.772SS**  26.1162.1125.7-141.7-175.4-169.5-100.13.8120.9
380E28.3Very low30.1Very low131 Ų131135.3 Ų135.361%0.61277%0.77SS**  trans70.7149.6174.7-103.742.8-110.200114.2
381S28.9Very low30Very low86 Ų86140.8 Ų140.860%0.60177%0.772SS**  cis-176.9164-34.9-103.50000107.8
382Q31.1Very low30.4Very low170 Ų170141.5 Ų141.579%0.79478%0.777SS**  trans75.2132148.7-86.3-178.87.600123.7
383L30.8Very low30.3Very low139 Ų139138.4 Ų138.473%0.72877%0.772SS**  trans87.5104.6137.4-63.8165.6000123.5
384C28.1Very low30.1Very low104 Ų104138.5 Ų138.570%0.70378%0.777SS**  77.7125.6118.4-70.10000125.1
385N26.7Very low30.4Very low153 Ų153133.4 Ų133.482%0.81877%0.768SS**  trans44.6123.7135.1-70.9-3.2000122.3
386L31.5Very low30.8Very low183 Ų183138.7 Ų138.796%0.95878%0.778SS**  -163.2168.5113.3-101.2157.8000109.4
387G28.1Very low30.8Very low55 Ų55136.8 Ų136.857%0.56777%0.771SS**  trans-175.9-176.2-177.500000114.9
388L30.1Very low31Very low173 Ų173141.5 Ų141.591%0.90678%0.779SS**  trans65.6150.2-171.5-73.592.2000114.5
389S28.7Very low31.2Very low99 Ų99144.6 Ų144.669%0.69278%0.783SS**  cis-172.7144-16.749.50000110.2
390E26.4Very low31.3Very low193 Ų193139.7 Ų139.790%0.90279%0.788SS**  trans-156.9148.7158.2-124.5168.1-170.800112.8
391Y30Very low31.7Very low211 Ų211137.9 Ų137.983%0.82780%0.795SS**  trans-161.1146.8-178.5-113-69.1000106.8
392P51.1Low31.8Very low126 Ų126142.1 Ų142.182%0.81881%0.81SS**  -151.5-155.382.540-20000113.2
393A31Very low32Very low85 Ų85142.9 Ų142.970%0.70281%0.813SS**  -167.7114.1-85.600000111.1
394C26Very low31.9Very low135 Ų135139.4 Ų139.491%0.91281%0.811SS**  trans-168.7134.3173.4-177.80000110.4
395A35.1Very low32.1Very low77 Ų77146 Ų14664%0.63682%0.823SS**  cis-158.9141.2-21.300000111.5
396R36.5Very low32.2Very low243 Ų243142.6 Ų142.692%0.91782%0.824SS**  trans59.8158.5155.1-70.1-179.9169.4167.8-3.4120.3
397S32.8Very low32Very low101 Ų101137.7 Ų137.771%0.70682%0.817SS**  cis170.2125.8-48.2-94.70000108.8
398N30Very low32.4Very low172 Ų172143.3 Ų143.392%0.9283%0.833SS**  trans-175.299130.2-100-12.3000111.5
399M33Very low32.6Very low193 Ų193139.9 Ų139.995%0.95183%0.83SS**  trans-140.3124.7151.3-164.9-167.9-78.600106.4
400A33.9Very low32.6Very low105 Ų105142.9 Ų142.987%0.86884%0.838SS**  trans-99.1125.6178.500000109.2
401A34.9Very low32.8Very low92 Ų92136.5 Ų136.576%0.7682%0.824SS**  trans-112.7159.517400000109.9
402L31.2Very low32.9Very low175 Ų175131.3 Ų131.392%0.91682%0.819SS**  trans-149136145.4-112.6170000110.5
403Q35.3Very low31.9Very low186 Ų186136.6 Ų136.687%0.86982%0.824SS**  trans-97.8163.1171.3-62.2158.1-36.100107.6
404G29.8Very low31.9Very low66 Ų66135.8 Ų135.868%0.6882%0.824SS**  cis162.7177.6-2.900000110.9
405Y31.6Very low32Very low244 Ų244141 Ų14196%0.95782%0.824SS**  trans60.5124.3163.9-77.4-84.6000122.2
406G29.9Very low31.9Very low81 Ų81145.4 Ų145.484%0.83584%0.836SS**  114.8118.5119.500000118.4
407G26.6Very low31.7Very low79 Ų79143.3 Ų143.381%0.81484%0.837SS**  trans170.2118.7165.800000114.5
408L36.2Very low31.7Very low173 Ų173143.4 Ų143.491%0.90684%0.844SS**  trans-144.9118.7172.2-99.8175.4000109.2
409A33.8Very low31.8Very low101 Ų101140.1 Ų140.184%0.83584%0.841SS**  trans57164.2173.800000115.9
410D29.6Very low31.7Very low162 Ų162134.9 Ų134.987%0.86684%0.836SS**  cis-134.6173.9-7.7-158.4-9.4000108.8
411G31.6Very low31.6Very low59 Ų59133.9 Ų133.961%0.60884%0.836SS**  trans-99.7-156.8-170.900000117
412S32.1Very low31.6Very low102 Ų102134.3 Ų134.371%0.71384%0.839SS**  trans104.3109.3164.6-47.20000118.5
413Y29.7Very low31.9Very low237 Ų237132.3 Ų132.393%0.92983%0.834SS**  trans56.2147.7159.9-49.7-74.9000119.4
414G30.3Very low32.7Very low68 Ų68129 Ų12970%0.70183%0.829SS**  cis160.3161.6-8.900000113
415R29.1Very low32.9Very low245 Ų245131 Ų13193%0.92583%0.833SS**  trans64.2109.9160.4-166.6-169.7-153.7176.28.1119.4
416L31.2Very low33Very low169 Ų169124.3 Ų124.389%0.88583%0.828SS**  trans-143132.6152.5-77.5178.4000110.8
417Q32.3Very low33.4Very low199 Ų199128.3 Ų128.393%0.9383%0.825SS**  173.3119.8127.8-97.3177.2-4.300112.6
418A32.9Very low34.5Very low103 Ų103129.7 Ų129.785%0.85182%0.819SS**  trans-172.5145.2167.100000106.4
419A33.3Very low34.4Very low104 Ų104125.8 Ų125.886%0.8681%0.806SS**  cis-159.7170.6-11.400000109.9
420G31.5Very low34.2Very low83 Ų83130 Ų13086%0.85681%0.808SS**  trans111.9131167.700000115.1
421G31.9Very low34.3Very low83 Ų83127.1 Ų127.186%0.85680%0.802SS**  cis139.9104.7-20.300000115.8
422A33.1Very low34.2Very low101 Ų101134 Ų13484%0.83582%0.815SS**  trans-164.9101.515900000113.7
423V38.1Very low34.3Very low133 Ų133136.7 Ų136.781%0.80682%0.82SS**  trans-12.7144.2142.7178.60000115.5
424P51.5Low35.4Very low118 Ų118130.2 Ų130.277%0.76681%0.807SS**  cis-137.4-174.739.919.97000116.4
425S34.7Very low35.4Very low108 Ų108133.6 Ų133.676%0.75581%0.805SS**  cis-177.8122.6-39.2610000110.7
426A34.2Very low35.4Very low103 Ų103131.8 Ų131.885%0.85180%0.798SS**  trans-164155.8163.400000112.4
427Q37.5Very low35.5Very low165 Ų165129.4 Ų129.477%0.77179%0.791SS**  trans-128.8172-179.9-89.7-80.8-73.200108.7
428P49.5Very low35.4Very low108 Ų108124.8 Ų124.870%0.70178%0.78SS**  cis-111.1165.118.87.818.6000113.8
429S34.3Very low35.4Very low90 Ų90125.1 Ų125.163%0.62978%0.777SS**  68.71395999.20000113.8
430E29.9Very low35.6Very low189 Ų189128.3 Ų128.388%0.88378%0.779SS**  cis-131.5-163.719.4-63.8-167.69200115.2
431S31.6Very low35.7Very low103 Ų103132.7 Ų132.772%0.7278%0.781SS**  trans-124.3174.3-167.7-62.60000113.8
432F30.2Very low35.7Very low202 Ų202133 Ų13389%0.88678%0.775SS**  trans121.6139.7151.7-74.9-81.1000119.6
433L32.9Very low35.6Very low159 Ų159133.2 Ų133.283%0.83278%0.776SS**  trans-127.4179.6167.8-73.8170.9000106.2
434P54.3Low35.1Very low101 Ų101130.7 Ų130.766%0.65678%0.778SS**  cis-135-167.8-6.5233.2000114
435Q29.5Very low34.2Very low140 Ų140132.8 Ų132.865%0.65478%0.779SS**  trans116.9124144-66.3-70.7-73.900119.5
436R30Very low34Very low206 Ų206136.2 Ų136.278%0.77778%0.783SS**  trans66.5110.9137.7-71.9-176.4-167.6-132.10.7122.5
437T32.2Very low33.8Very low119 Ų119135.3 Ų135.373%0.7378%0.784SS**  37.1131.3121.359.90000119.1
438S30.8Very low33.4Very low102 Ų102131 Ų13171%0.71378%0.784SS**  -171.9170.472.9-63.90000115.3
439S31.9Very low32.7Very low111 Ų111131.2 Ų131.278%0.77680%0.795SS**  trans62.5110.4145.654.60000122.3
440L38.3Very low32.6Very low171 Ų171135.6 Ų135.690%0.89581%0.805SS**  trans-15.9141.5141.6-59.3163000118
441I33.8Very low32.8Very low175 Ų175129.7 Ų129.790%0.89779%0.794SS**  trans-130150143.5-70.6-177.1000107.8
442A31.4Very low33.1Very low90 Ų90130.5 Ų130.574%0.74480%0.8SS**  trans-130.1172.7179.300000111.8
443A31.2Very low33.5Very low104 Ų104129.2 Ų129.286%0.8680%0.802SS**  trans73.3109.1171.600000118.2
444G28Very low33.6Very low81 Ų81126.5 Ų126.584%0.83580%0.802SS**  trans-135.4141.114800000107.5
445M32.5Very low32.6Very low161 Ų161125.9 Ų125.979%0.79381%0.814SS**  trans-126.6151.3-167.5-86.2-176.563.800114
446Q30.7Very low32.8Very low180 Ų180123 Ų12384%0.84182%0.822SS**  trans75.9147.8160.3-70.7177.32.400119.8
447G30.1Very low33Very low85 Ų85116.9 Ų116.988%0.87682%0.823SS**  trans93.3117.8-177.200000113.1
448G29Very low33.3Very low73 Ų73116.9 Ų116.975%0.75383%0.828SS**  cis172.4159.1-7.300000111.8
449A33.2Very low33.4Very low113 Ų113116.2 Ų116.293%0.93484%0.837SS**  trans63.7138.1177.100000118.1
450H33.5Very low33.4Very low183 Ų183114.8 Ų114.885%0.84784%0.84SS**  trans-137.4137.7164.8-157.4-75.2000108.2
451G34.6Very low33.1Very low64 Ų64110.6 Ų110.666%0.6684%0.838SS**PPolyproline II helixtrans-76.5148.7172.500000111.5
452S36.2Very low33.1Very low121 Ų121106.3 Ų106.385%0.84684%0.837SS**PPolyproline II helixtrans-95.8151.8-169-55.40000114.5
453L38.8Very low33.2Very low174 Ų174105.3 Ų105.391%0.91184%0.836SS**PPolyproline II helixtrans-74.1167.9152.6-65.5102.5000110.6
454A35.1Very low33.5Very low103 Ų103106.3 Ų106.385%0.85184%0.837SS**  trans-110.7132.4178.800000112.8
455G33.2Very low33.9Very low87 Ų87107.2 Ų107.290%0.89784%0.836SS**  trans83.5135.2166.600000116.5
456G33.7Very low34.1Very low80 Ų80104.2 Ų104.283%0.82584%0.837SS**  cis167.392.6-10.200000115.5
457G34.5Very low34.1Very low78 Ų7899.7 Ų99.780%0.80484%0.839SS**  trans75.4160.7164.600000117.6
458S38.6Very low34.2Very low118 Ų11899.1 Ų99.183%0.82583%0.832SS**  cis-168131.3-16.151.80000112.5
459G32.5Very low34.3Very low88 Ų88104.8 Ų104.891%0.90784%0.836SS**  trans8614416400000116.9
460G33Very low34.3Very low81 Ų81107.1 Ų107.184%0.83583%0.83SS**  cis162.2153.3-12.500000114.9
461G32.3Very low34.2Very low83 Ų83105.1 Ų105.186%0.85683%0.825SS**  trans103.1100.2151.600000120.3
462G32.8Very low34Very low86 Ų86105.6 Ų105.689%0.88782%0.823SS**  trans79.2156.1151.300000118.5
463G33.4Very low33.7Very low69 Ų69111.2 Ų111.271%0.71183%0.827SS**  cis166.4161.5-8.300000113.6
464S37.9Very low33.3Very low125 Ų125106.5 Ų106.587%0.87482%0.821SS**  trans69.3124.3172-58.30000116.7
465A36.6Very low33Very low100 Ų100105.2 Ų105.283%0.82682%0.818SS**  90150.659.100000112.7
466A35.5Very low33.2Very low98 Ų98110.2 Ų110.281%0.8182%0.818SS**  cis-155.7155.17.900000113.6
467G31.3Very low33Very low85 Ų85114.7 Ų114.788%0.87682%0.822SS**  trans74152152.300000119.7
468G32.1Very low32.7Very low72 Ų72114.6 Ų114.674%0.74282%0.822SS**  cis161.9137.8-1400000115.4
469K31.5Very low32.2Very low193 Ų193113.8 Ų113.884%0.83982%0.816SS**  trans69.6138.8172.9-65.5-175.9175.8-177.70115.9
470M33.4Very low32.2Very low162 Ų162119 Ų11980%0.79881%0.814SS**  cis73.512844.1-61.2168.6148.700112.8
471D30.3Very low33Very low140 Ų140120.7 Ų120.775%0.74981%0.81SS**  cis-163.5162.3-4-126.9-47.3000114.2
472A31.5Very low33.2Very low75 Ų75121.3 Ų121.362%0.6281%0.807SS**  trans66.2150.5150.800000125.1
473Y30.6Very low33.2Very low238 Ų238122.4 Ų122.493%0.93380%0.801SS**  trans64.9118.8159.2-76.4-73.4000123.5
474G28.5Very low33.2Very low75 Ų75128.4 Ų128.477%0.77381%0.811SS**  132.5128127.400000118.7
475G29.5Very low32.8Very low77 Ų77130.6 Ų130.679%0.79481%0.811SS**  trans7894142.400000120.6
476Q36.6Very low32.4Very low192 Ų192134.4 Ų134.490%0.89781%0.812SS**  14.7108.1122.4177.1-177.7-20.600118.1
477L29.9Very low32.2Very low173 Ų173139.8 Ų139.891%0.90681%0.813SS**  trans176.8129.6141.8-101.3163.9000114
478G28Very low32.2Very low77 Ų77142.4 Ų142.479%0.79480%0.804SS**  trans66.4-179.5154.900000119.9
479S29.2Very low32.2Very low100 Ų100145.3 Ų145.370%0.69980%0.8SS**  cis-173.7103.2-26.6169.80000113
480F31.9Very low32.3Very low198 Ų198144.3 Ų144.387%0.86880%0.798SS**  trans61.4174.6150.4-72.2-61.3000118.5
481P50Low32.1Very low117 Ų117141.2 Ų141.276%0.7680%0.798SS**  cis-121.9157.11.140.2-26.3000116.8
482A37.2Very low32Very low96 Ų96138.4 Ų138.479%0.79380%0.802SS**  trans-104152.514600000108.2
483S32.7Very low31.9Very low108 Ų108137.8 Ų137.876%0.75580%0.804SS**  trans-135.782.8-175.446.60000113.5
484Q32.1Very low31.9Very low196 Ų196132.5 Ų132.592%0.91680%0.801SS**  trans-108136.3139-72.1-160.71400107.9
485L30.6Very low32.1Very low170 Ų170134.6 Ų134.689%0.8980%0.804SS**  trans-132.9105177.8-101.7168.9000110.9
486Q27.9Very low32.1Very low180 Ų180135 Ų13584%0.84181%0.808SS**PPolyproline II helixtrans-70.6147.8159.7-173.269.417.900109
487Y32.2Very low31.9Very low211 Ų211131.1 Ų131.183%0.82780%0.803SS**PPolyproline II helixtrans-92.3150.8179.2-134.3-93.6000113.9
488M31.1Very low32Very low140 Ų140127.5 Ų127.569%0.6980%0.797SS**PPolyproline II helixtrans-71.2171.8175.8-69.7-169-57.500113.2
489M32.2Very low32.3Very low134 Ų134128.4 Ų128.466%0.6679%0.791SS**  cis-156.2150.2-2.9-123.5-168.7-60.300107.3
490Q32.3Very low32.5Very low172 Ų172128.9 Ų128.980%0.80480%0.795SS**  58.2139.591.4-163167.3-0.300115.4
491A30.2Very low32.5Very low96 Ų96124.1 Ų124.179%0.79379%0.786SS**  cis-125.5-175.55.800000110.8
492G28.1Very low31.8Very low81 Ų81122.9 Ų122.984%0.83578%0.78SS**  cis160.9165.55.100000107.5
493G29.2Very low31.6Very low63 Ų63124.1 Ų124.165%0.64978%0.783SS**  cis178172.8-3.800000109.2
494S31.4Very low31.5Very low126 Ų126122.8 Ų122.888%0.88179%0.787SS**  trans63.6153.5-17974.50000116
495S31.3Very low31.4Very low119 Ų119119.3 Ų119.383%0.83278%0.784SS**  cis-169.5155.4-19.246.70000108.6
496G30Very low31.6Very low85 Ų85116.5 Ų116.588%0.87678%0.779SS**  trans139.8117.7164.300000115.4
497S32.8Very low32.7Very low112 Ų112113.4 Ų113.478%0.78377%0.774SS**  trans-81.1149.217850.40000114.6
498A31.4Very low32.7Very low96 Ų96107.9 Ų107.979%0.79377%0.766SS**  trans64.3158.9146.400000118.3
499S34.3Very low32.8Very low96 Ų96106.7 Ų106.767%0.67177%0.772SS**  cis-170165-24.252.70000108.7
500S33.7Very low32.7Very low111 Ų111104.8 Ų104.878%0.77678%0.777SS**  trans62.3157.5168.829.80000116.5
501S32.5Very low32.7Very low98 Ų98104.9 Ų104.969%0.68578%0.777SS**  cis-164.6179.6-16.149.70000109.7
502S34.1Very low32.7Very low90 Ų90108.3 Ų108.363%0.62978%0.779SS**  trans49.497.5145.156.60000118.3
503S34.4Very low32.9Very low122 Ų122113.8 Ų113.885%0.85378%0.78SS**  77129.186.770.90000115.6
504G29.3Very low32.7Very low81 Ų81114.2 Ų114.284%0.83579%0.785SS**  trans172.7116.9171.800000114.9
505S31.4Very low32.5Very low123 Ų123112.5 Ų112.586%0.8679%0.786SS**  trans-58159-178.8-47.80000116.9
506S34.7Very low32.3Very low111 Ų111110.2 Ų110.278%0.77678%0.782SS**  trans-60171.2154.5-27.40000111.2
507P49.3Very low32.3Very low114 Ų114114.5 Ų114.574%0.7478%0.779SS**  cis-156.4-179.94840-15.3000120
508S32.9Very low32.4Very low96 Ų96116.9 Ų116.967%0.67178%0.777SS**  trans57.5112.1139.363.90000124.3
509S32.6Very low32.3Very low114 Ų114119.9 Ų119.980%0.79777%0.774SS**  43.9132.2126.8660000123.7
510A31.1Very low32.3Very low94 Ų94121.7 Ų121.778%0.77778%0.781SS**  -168.7146.4121.700000116.1
511H31.5Very low32.3Very low175 Ų175121.6 Ų121.681%0.8177%0.768SS**  trans-30.1148.3165.6-52-98.7000121.5
512M31.6Very low32.4Very low167 Ų167125.1 Ų125.182%0.82377%0.774SS**  168.1175.1105.7-85.7-132.6173.200116.1
513F30.9Very low32.2Very low197 Ų197124 Ų12486%0.86478%0.776SS**  trans-46.1165.7177-62.1-105.8000116.5
514G25.4Very low32.2Very low72 Ų72122.9 Ų122.974%0.74277%0.769SS**  cis154.5146.6-4.500000113.7
515G26.5Very low32.4Very low89 Ų89129 Ų12992%0.91877%0.768SS**  trans81157.1-179.700000115.2
516G27.3Very low32.4Very low71 Ų71129.8 Ų129.873%0.73276%0.762SS**  cis170.7176.2-9.200000113.9
517H31.6Very low32.1Very low176 Ų176129.1 Ų129.182%0.81576%0.764SS**  trans84.4146.3163.1-87.756.8000123.3
518H34.1Very low31.3Very low161 Ų161134 Ų13475%0.74577%0.774SS**  trans56.3130171.1-64.1-68.7000121
519H30Very low31.3Very low159 Ų159134.7 Ų134.774%0.73678%0.779SS**  cis108.398.44.8-170.870.5000117.8Q521H519-Q521 WeakPolarHBondContact NE2-CG 3.49Å; H519-Q521 PolarHBondContact NE2-NE2 2.69Å
520V32.8Very low31.2Very low135 Ų135138 Ų13882%0.81879%0.786SS**  trans-147.4109.2150-175.50000104.5
521Q35Very low31.3Very low108 Ų108141.3 Ų141.351%0.50579%0.786SS.*  59.5138.584-61.1-155.625.300114.7H519H519-Q521 WeakPolarHBondContact NE2-CG 3.49Å; H519-Q521 PolarHBondContact NE2-NE2 2.69Å
522Q33.4Very low31.1Very low173 Ų173140.2 Ų140.281%0.80879%0.786SS**  cis-161.7160.53.2-127.9-179.316.400112.6
523G30.5Very low31.4Very low65 Ų65135.7 Ų135.767%0.6777%0.769SS**  trans87.9116.7160.200000116
524S33.8Very low31.4Very low100 Ų100136.6 Ų136.670%0.69977%0.768SS**  cis67.6128.143.4-48.50000112.8
525Y33.3Very low31.8Very low208 Ų208141.3 Ų141.382%0.81678%0.776SS**  cis-135.4133.135.4-79.1-97000116.6
526N31.6Very low32.2Very low140 Ų140144 Ų14475%0.74977%0.768SS**  42.1123.7125.1-64.9-8.5000122.6
527A30Very low32.7Very low97 Ų97150.2 Ų150.280%0.80277%0.771SS**  trans-111.1153.6148.100000109.8
528F31.9Very low32.7Very low216 Ų216145.6 Ų145.695%0.94777%0.771SS**  trans-89.5129.6170.5-86.6-86.2000110.8
529S32Very low32.7Very low111 Ų111148 Ų14878%0.77678%0.775SS**  trans-86.6145.7174.6-61.60000112.1
530L31.1Very low32.9Very low184 Ų184148.1 Ų148.196%0.96378%0.782SS**  trans-120.4140.5142.8-86173.4000108.8
531H32.8Very low33Very low164 Ų164151 Ų15176%0.75978%0.784SS**  trans-109.3138.7-163.3-169.5-81.9000110
532N27.7Very low33.2Very low152 Ų152152 Ų15281%0.81380%0.799SS**  trans-139119166.1-161.627.4000109.5
533P38.6Very low33.4Very low71 Ų71148.4 Ų148.446%0.46180%0.799SS.*  trans-80.9-173.1-178.234.1-35.4000112.6
534Y30.9Very low33.6Very low216 Ų216150.5 Ų150.585%0.84780%0.804SS**  trans77.478.4-179.6-54.5-74.3000116.4
535N33Very low34Very low171 Ų171152 Ų15291%0.91481%0.811SS**  trans-146.9115.5136.4-108.6-39.9000109.4
536L35.8Very low34.3Very low145 Ų145153.7 Ų153.776%0.75982%0.816SS**  trans-137.9139.6177.5-160.272.9000107.8
537Y37.1Very low34.5Very low203 Ų203155.7 Ų155.780%0.79683%0.825SS**  trans6883.7-172.5-57.4-77.6000116.4
538G30.8Very low34.6Very low79 Ų79156 Ų15681%0.81483%0.829SS**PPolyproline II helixtrans-88.4131.515600000111.2
539Y35.2Very low34.7Very low210 Ų210150.5 Ų150.582%0.82482%0.823SS**PPolyproline II helixtrans-89129.3172.7-88.2-98000111
540N33.5Very low34.5Very low163 Ų163150.4 Ų150.487%0.87282%0.822SS**PPolyproline II helixtrans-83.8131.7174.5-81.9-54.4000111.7
541F34.6Very low35.2Very low196 Ų196147.5 Ų147.586%0.8681%0.814SS**PPolyproline II helixtrans-100.4132.4166.9-79.3-93.5000110.3
542P39.4Very low35.2Very low127 Ų127148.7 Ų148.783%0.82582%0.82SS**PPolyproline II helixtrans-75.5125.1170.730.2-32.3000110.8
543A38.4Very low35.5Very low98 Ų98151.1 Ų151.181%0.8182%0.823SS**PPolyproline II helixtrans-80.2144.9174.400000111.8
544S34Very low35.6Very low110 Ų110153.9 Ų153.977%0.76984%0.841SS**PPolyproline II helixtrans-68148.4176.4-51.10000112.3
545P42.8Very low35.9Very low132 Ų132153.1 Ų153.186%0.85785%0.846SS**PPolyproline II helixtrans-69.2142.3-174.328.1-35.4000112.8
546R39.6Very low35.7Very low243 Ų243148.8 Ų148.892%0.91784%0.841SS**PPolyproline II helixtrans-92.3150167.9-72.4-174.2175.4-171.9-0.6110.8
547L34.8Very low35.5Very low181 Ų181145.4 Ų145.495%0.94884%0.841SS**PPolyproline II helixtrans-67.9141.3170.9-63.1166.7000110.4
548A32.4Very low35.3Very low105 Ų105143.4 Ų143.487%0.86884%0.843SS**PPolyproline II helixtrans-98.8156.9175.400000111.6
549A33.6Very low35.3Very low100 Ų100147.5 Ų147.583%0.82685%0.846SS**PPolyproline II helixtrans-100168-172.200000113.9
550S27.6Very low35Very low109 Ų109142.4 Ų142.476%0.76284%0.84SS**PPolyproline II helixtrans-68147.7176.5-1740000112.5
551P46.6Very low34.8Very low122 Ų122139.5 Ų139.579%0.79283%0.832SS**PPolyproline II helixtrans-77.1153.6174.432.2-36.3000113.2
552E33.4Very low34.6Very low189 Ų189135.8 Ų135.888%0.88383%0.831SS**PPolyproline II helixtrans-97.2166.6175.3-62.9-171.1114.500113.1
553K33.8Very low34.2Very low203 Ų203134 Ų13488%0.88383%0.827SS**  trans-140.2158.1162.2-98.2-171.6176.4-178.80110.7
554P40.3Very low34.7Very low130 Ų130135 Ų13584%0.84482%0.824SS**  trans-89.5178-147.834.9-38.8000117.1
555Q36.8Very low34.5Very low200 Ų200134.7 Ų134.794%0.93583%0.829SS**  trans-80.6157-164.3-59.7174-44.800116.6
556G30.1Very low33.8Very low80 Ų80132.4 Ų132.483%0.82583%0.829SS**  trans149.2126.6156.800000112.4
557G30.1Very low33.4Very low73 Ų73125.2 Ų125.275%0.75382%0.822SS**  cis177.1135.8-1100000111.6
558L34.4Very low33.2Very low161 Ų161126.6 Ų126.684%0.84382%0.821SS**  trans39117.2163.3-68164.4000120
559L30.3Very low33.2Very low165 Ų165125.6 Ų125.686%0.86481%0.813SS**  -179.5-175104.8-91.5-180000111.5
560C29.4Very low33Very low103 Ų103127.9 Ų127.970%0.69681%0.806SS**  trans-116.1161.3-147.1-58.30000117.4
561S28.6Very low33.2Very low102 Ų102131.5 Ų131.571%0.71380%0.803SS**  trans68.3119.5136.960.10000123.2
562S29.7Very low32.5Very low119 Ų119132.3 Ų132.383%0.83280%0.796SS**  trans69145136.653.70000122.9
563A31.4Very low32.4Very low90 Ų90132.9 Ų132.974%0.74479%0.792SS**  trans-80.4-173.9170.200000111.2
564P49.4Very low32.4Very low117 Ų117131.2 Ų131.276%0.7679%0.791SS**  cis-141.2-1768.244.5-25.7000117
565A30.4Very low32.6Very low104 Ų104130.5 Ų130.586%0.8679%0.787SS**  trans47.1136.2147.400000122.2
566G28.1Very low32.5Very low84 Ų84129.3 Ų129.387%0.86679%0.787SS**  trans153.3137.7161.800000113.6
567A31.2Very low32.6Very low93 Ų93128.8 Ų128.877%0.76978%0.782SS**  trans-109.6163176.800000111.4
568F29.1Very low32.6Very low209 Ų209129 Ų12992%0.91778%0.784SS**  -171.2168.3119.4-114-83.2000112.6
569A33.2Very low33Very low85 Ų85130 Ų13070%0.70279%0.787SS**  trans-15162.6175.300000121
570E29.4Very low33.1Very low147 Ų147129.6 Ų129.669%0.68779%0.785SS**  cis-154.2149.626.7-142-175.8111.500106.8
571R32.4Very low33.1Very low186 Ų186130.2 Ų130.270%0.70279%0.786SS**  cis-161.7148.548-100.2-171.4-175.2-141.5-14.5110.4
572Q30.4Very low33.4Very low138 Ų138133.6 Ų133.665%0.64579%0.793SS**  41.8132.8104.5-65178.9-12.200116.2
573Y31.6Very low33.6Very low202 Ų202136.1 Ų136.179%0.79279%0.791SS**  cis-160.4142.36.9-129.9-66.3000109.4
574L33.9Very low33.7Very low167 Ų167139.3 Ų139.387%0.87479%0.792SS**  trans177.2143.6145.8-98.2170000109.1
575P43.8Very low32.9Very low116 Ų116141.2 Ų141.275%0.75379%0.794SS**  trans-93.6166.5-168.737.1-35.8000114.6
576N35.1Very low32.9Very low174 Ų174139.4 Ų139.493%0.9379%0.786SS**  trans-136.4149.6170.8-174.221.1000109.6
577G32.8Very low33.1Very low70 Ų70143.3 Ų143.372%0.72279%0.787SS**  trans138136.9-17800000112
578G31Very low33.1Very low77 Ų77143.2 Ų143.279%0.79479%0.786SS**  cis-163.5-178.7-0.500000113.1
579M42Very low33.4Very low183 Ų183138.6 Ų138.690%0.90179%0.786SS**  trans-62.7150.8172.862.3-132.3167.200112.3
580D31.8Very low33.5Very low155 Ų155138.5 Ų138.583%0.82979%0.794SS**  trans-155.1172.6138.4-133-35.7000114
581T31.1Very low33.7Very low116 Ų116135.2 Ų135.271%0.71280%0.799SS**  trans-105.2165.4-158.1-36.20000111.6
582M33.9Very low33.7Very low173 Ų173134.7 Ų134.785%0.85281%0.805SS**  139.9149127.6-155164.3-59.200115.2
583H33.8Very low34Very low172 Ų172137 Ų13780%0.79682%0.815SS**  trans-84.4159.2176.5-72.9-133.9000112.1
584M33.9Very low34Very low158 Ų158131.3 Ų131.378%0.77882%0.819SS**  164137.8114.6-88.3-65.8-125.200113.4
585I31.7Very low33.9Very low156 Ų156127.4 Ų127.480%0.882%0.819SS**  trans56.1136.2148.7-57.7161000118.4
586G30.3Very low33.5Very low66 Ų66127.8 Ų127.868%0.6882%0.824SS**  cis158.5160.8-9.300000114.6
587N31.9Very low33.7Very low167 Ų167125 Ų12589%0.89382%0.819SS**  trans69.1132.6156.6-118.230000124.1
588A32.1Very low33.7Very low91 Ų91127.4 Ų127.475%0.75282%0.823SS**  trans68111.4138.400000121.5
589A36.1Very low34.1Very low111 Ų111131.6 Ų131.692%0.91783%0.827SS**  trans-100.4152.5152.400000110.3
590G34.8Very low33.7Very low83 Ų83126.1 Ų126.186%0.85682%0.817SS**  trans177.7133.4172.500000115.3
591G33.3Very low34Very low78 Ų78131 Ų13180%0.80482%0.824SS**  trans96.9144.8175.600000114.8
592Q33.5Very low34.2Very low175 Ų175132.7 Ų132.782%0.81882%0.824SS**  cis-157.8135.4-2.8-163.4172.765.300112.5
593Q36.6Very low34.4Very low186 Ų186134.7 Ų134.787%0.86982%0.823SS**  trans26.4139.3153.6-57.8174.18.600123.5
594G31Very low34.4Very low84 Ų84129.4 Ų129.487%0.86682%0.815SS**  trans144.3120.3134.800000118.4
595G31.4Very low34.4Very low85 Ų85127.4 Ų127.488%0.87682%0.817SS**  trans121.9118.4153.300000119.2
596S35.6Very low34.6Very low123 Ų123125.3 Ų125.386%0.8682%0.817SS**  trans-68.8168.7166.7470000114.8
597S39.7Very low35Very low117 Ų117127.7 Ų127.782%0.81882%0.822SS**  cis176.6140.6-18.5173.20000109.7
598C32.7Very low35.3Very low120 Ų120127.6 Ų127.681%0.81182%0.817SS**  trans-169.9163.9148.253.30000112.9
599D39.3Very low35.3Very low165 Ų165131.2 Ų131.288%0.88282%0.82SS**  trans-67.4164.5-169.3-54.5-87000116.4
600G34.1Very low35.2Very low67 Ų67130.9 Ų130.969%0.69181%0.811SS**  cis132.6122.8-2.300000113.7
601R37.3Very low35.4Very low257 Ų257134.6 Ų134.697%0.9781%0.808SS**  trans-163.6142.6165.5-110.3168.3-164.9-154.11.4113.1
602Q36.1Very low35.6Very low153 Ų153138.5 Ų138.572%0.71581%0.805SS**  trans-80.3167.4176.7-62.8152.7-51.800111.3
603Y37.3Very low35.6Very low214 Ų214137.4 Ų137.484%0.83980%0.802SS**  cis-148.7176.1-0.8-93.8-52.5000107.5
604G33.4Very low36Very low61 Ų61138.7 Ų138.763%0.62982%0.822SS**  cis148111.3-5.800000113.4
605S33.3Very low36.2Very low117 Ų117141.5 Ų141.582%0.81882%0.82SS**  trans66.7132.5176.7-56.90000116.6
606S35.8Very low36.5Very low112 Ų112144.4 Ų144.478%0.78382%0.817SS**  cis74.4136.843.287.50000113.2
607S38.8Very low36.5Very low115 Ų115145.6 Ų145.680%0.80482%0.815SS**  cis-147.7-17540.2-162.50000115.6
608Q39.1Very low36.3Very low166 Ų166147.3 Ų147.378%0.77681%0.814SS**  trans-78.7177.2171.9-58.3174.9-1300110.7
609M32.7Very low36.5Very low167 Ų167149 Ų14982%0.82382%0.815SS**  cis-154.8149.134-71.8-177.6174.800108.8
610S34.2Very low36.4Very low104 Ų104147.9 Ų147.973%0.72781%0.81SS**  91.5119.859-154.10000116
611M38.3Very low36.5Very low161 Ų161153.7 Ų153.779%0.79382%0.819SS**  trans73.1124.3150.8-74-70.7-174.900124.1
612H36.7Very low36.5Very low159 Ų159145.8 Ų145.874%0.73681%0.807SS**  110.1158.8128.8-111.165.9000122.6
613M33.3Very low36.5Very low152 Ų152145.2 Ų145.275%0.74982%0.815SS**  trans-90.3158.7-162.1-47.9-179.9-62.700114.3
614V45Very low36.4Very low214 Ų214138.9 Ų138.9100%1.29781%0.812SS**  -129.60124.1-178.70000107.7

Retrieved 614 of 614 residues in 111.3 ms (Link to these results)