A0A077ZHI9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZHI9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 480 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.2Very low44.9Very low250 Ų250159 Ų159100%1.23284%0.835SS**  0132.60-76.517717400109.2
2R39Very low44.8Very low238 Ų238167.1 Ų167.190%0.89885%0.846SS**  trans-16.6132.9167.5-72.1172.7175.5-170.7-2117.5
3R41.2Very low44.5Very low255 Ų255159.2 Ų159.296%0.96283%0.832SS**  78.6136.273.4-94.8-164.5-167.9-153.93.3116
4G41.1Very low44.4Very low72 Ų72158.9 Ų158.974%0.74283%0.832SS**  trans123.8109.914700000113.7
5A44.9Very low44.6Very low89 Ų89160.8 Ų160.874%0.73684%0.835SS**  79.1126.751.500000114.2
6Y50.6Low44.7Very low220 Ų220161.5 Ų161.586%0.86383%0.833SS**  trans177.8112143.7-81.6-62.8000107.7
7D47.2Very low44.6Very low128 Ų128160.4 Ų160.468%0.68483%0.828SS**  65.1143.187.1-85-19.9000113.6
8K49.5Very low44.5Very low164 Ų164161 Ų16171%0.71383%0.829SS**  cis-178.4149.9-7.4-120.3178.6-177.7175.20109
9D47.6Very low44.4Very low133 Ų133161.6 Ų161.671%0.71183%0.828SS**  trans57.8146.2137.6-64.4-28.7000126.7
10S45.6Very low44.1Very low127 Ų127161.6 Ų161.689%0.88883%0.829SS**  trans90.5136.9155.4750000118.1
11G39.8Very low43.9Very low73 Ų73158.3 Ų158.375%0.75383%0.826SS**  cis168.2159.8-2.100000111.7
12R43.6Very low43.4Very low256 Ų256155.5 Ų155.597%0.96681%0.81SS**  trans73.2130.6149.1-94.3-178.6172.8173.4-2.8124.9
13G41Very low43.3Very low65 Ų65150.8 Ų150.867%0.6780%0.803SS**  trans89.8146.6138.400000116.2
14D43.1Very low43.1Very low154 Ų154143.1 Ų143.182%0.82479%0.785SS**  cis-170.6174.7-12.6-90.9-37.8000104.8
15E48.2Very low42.7Very low188 Ų188151.4 Ų151.488%0.87980%0.795SS**  trans79.9142.8166-50.7-180174.400117.7
16E45.5Very low42.2Very low172 Ų172156.5 Ų156.580%0.80480%0.804SS**  cis179.5158.4-32.2-117.7-172.5-170.500105
17N43.3Very low41.7Very low142 Ų142149.6 Ų149.676%0.75979%0.788SS**  trans71.1109.7164.6-83.2-31.3000121.1
18M43Very low41Very low172 Ų172150.4 Ų150.485%0.84779%0.791SS**  -175.7116.299.8-86.8-142.617800111.7
19H42.1Very low40.2Very low172 Ų172154.3 Ų154.380%0.79680%0.804SS**  trans48.8100.8152.7-66.3-50.3000121.8
20N39.4Very low39.6Very low161 Ų161151.8 Ų151.886%0.86180%0.801SS**  trans-101.5127146.6-83.2-18.7000109.6
21A39.9Very low39.1Very low93 Ų93154.8 Ų154.877%0.76980%0.8SS**  trans-159.9127.416200000104.6
22E35.5Very low38.8Very low191 Ų191162.2 Ų162.289%0.89381%0.806SS**  cis-141.6110.318.1-66.3173.9140.300107.5
23D37.2Very low38.3Very low139 Ų139156.8 Ų156.874%0.74380%0.796SS**  trans-78.1143.4160.1-88.8-40.8000109
24T37Very low37.8Very low95 Ų95157.9 Ų157.958%0.58380%0.799SS**  trans70.986.9152.356.10000119.2E26T24-E26 VanDerWaalsContact C-N 3.29Å
25Y31.9Very low37.3Very low245 Ų245155.7 Ų155.796%0.96180%0.796SS**SBendtrans-87.87.9156.2-141.7-94000113
26E36Very low36.5Very low196 Ų196154.9 Ų154.992%0.91680%0.796SS**SBendtrans-103.17.9-177.1-92-166161.900115.9T24T24-E26 VanDerWaalsContact C-N 3.29Å
27S39.9Very low35.9Very low75 Ų75157 Ų15752%0.52480%0.797SS.*SBendtrans-127.85.3-173.172.20000117.9
28L32.1Very low35.7Very low145 Ų145162 Ų16276%0.75981%0.805SS**SBendtrans-107.515.9-166.7-82170.6000118.5
29Y33.2Very low35.4Very low247 Ų247159.9 Ų159.997%0.96980%0.797SS**SBendtrans-130.220.5169.7-90.1-80.9000115.7
30A34.1Very low35.3Very low79 Ų79158.5 Ų158.565%0.65380%0.796SS**SBendtrans-96.8129.6162.300000109.5
31H35.4Very low35.5Very low190 Ų190157.5 Ų157.588%0.8879%0.791SS**  trans80.481.8172.9-69.5-77.5000119.3
32R32.9Very low35.7Very low229 Ų229159.3 Ų159.386%0.86479%0.788SS**  trans-168.7120.1146.9-110.3-176.5151.3161.9-4.2105.8
33D34.1Very low36.2Very low142 Ų142156.8 Ų156.876%0.75978%0.78SS**  cis-142.6129.318.4-79.2-55.5000108.7
34A30.8Very low36.6Very low89 Ų89156.2 Ų156.274%0.73678%0.777SS**  trans-80.5148.1156.500000108
35S31.9Very low36.7Very low108 Ų108157.5 Ų157.576%0.75578%0.781SS**  trans98.694.6170-44.40000114.9
36L32.4Very low36.9Very low171 Ų171151.3 Ų151.390%0.89577%0.768SS**  -163.9101.7121.8-98.1147.8000107.6
37R32.5Very low36.9Very low215 Ų215146.7 Ų146.781%0.81176%0.758SS**  trans-56154.7156.5-79.9177161.7165.7-7.3108.2
38W38.2Very low36.7Very low247 Ų247150 Ų15094%0.93677%0.769SS**  -159.5140.5116.2-89.120000107
39D36.1Very low36.6Very low128 Ų128154.5 Ų154.568%0.68478%0.776SS**  trans-72.7161.2-172.6-60.5-61.6000112.3
40D41.3Very low36.4Very low143 Ų143146.7 Ų146.777%0.76576%0.763SS**  trans153.992.8133.2-73.5-12.7000110.1
41D42.8Very low36.3Very low141 Ų141154 Ų15475%0.75478%0.775SS**  66.8145.1119.1-66.6-18.1000123.7
42D45.4Very low36.1Very low131 Ų131157 Ų15770%0.70178%0.779SS**  trans96.496.9156.8-56.7-24000119.6
43D46.1Very low35.9Very low138 Ų138149.6 Ų149.674%0.73877%0.774SS**  64.9140.5118.8-60.4-20.2000119.2
44D44.5Very low35.8Very low127 Ų127150.5 Ų150.568%0.67978%0.779SS**  cis-168.8159.624.5-139.6-20.7000111.4
45N39.8Very low35.8Very low122 Ų122151.8 Ų151.865%0.65278%0.778SS**  trans63.3105.9155.6-79.1-42.3000121.7
46T35.9Very low35.8Very low114 Ų114157.5 Ų157.570%0.69978%0.783SS**  83.7141.55675.80000117.3
47S35.1Very low35.7Very low100 Ų100159.4 Ų159.470%0.69978%0.784SS**  trans84.2132.3162.887.10000116.1
48N35.3Very low35.7Very low143 Ų143156.2 Ų156.277%0.76578%0.776SS**  cis-153127.97-87.6-43.2000106.4
49R30.6Very low35.5Very low241 Ų241151.6 Ų151.691%0.90977%0.765SS**  55.6104.980.5-154.5177.2-164.3166.63.9114
50A29.5Very low35.2Very low83 Ų83151.3 Ų151.369%0.68677%0.773SS**  trans135.8104136.500000113.7
51Y31Very low34.6Very low233 Ų233151.9 Ų151.991%0.91477%0.773SS**  180111.7107-112.5-94.6000109.9
52R30.9Very low34.2Very low251 Ų251150.8 Ų150.895%0.94776%0.763SS**  trans-82.3141.7167.1-89.9-179.3169.9-173.3-2.8108.7
53G30Very low33.6Very low74 Ų74153.2 Ų153.276%0.76377%0.767SS**  trans13492.8154.500000114.1
54N32.6Very low32.9Very low161 Ų161154 Ų15486%0.86177%0.772SS**  176.590.693.2-146.6-6000108.8R56N54-R56 PolarHBondContact O-N 2.64Å
55T29.5Very low32.2Very low117 Ų117153.2 Ų153.272%0.71877%0.767SS**  trans-74.9106.6172.341.70000109
56R32.7Very low31.6Very low227 Ų227151.7 Ų151.786%0.85777%0.767SS**SBendtrans-171.910.7153.9-107.8165.7-170.7-165.92.5117.7N54N54-R56 PolarHBondContact O-N 2.64Å
57F30.1Very low31.2Very low211 Ų211151.8 Ų151.893%0.92577%0.772SS**SBendtrans-130.34.5175.3-125.4-93.1000115.1
58K32.8Very low30.9Very low149 Ų149151.2 Ų151.265%0.64877%0.773SS**SBendtrans-106.2-8.4-178.1-107.8-176.7174.9-173.60115.4S60 M61K58-S60 PolarHBondContact O-N 2.89Å; K58-M61 PolarHBondContact O-N 3.06Å
59E32.7Very low30.4Very low150 Ų150151 Ų15170%0.70177%0.771SS**THydrogen-bonded Turntrans-76.7-0.1-176.9-72.4176.4155.400114.1
60S30Very low30.2Very low121 Ų121148.5 Ų148.585%0.84677%0.77SS**THydrogen-bonded Turntrans-107.9-2.6172.9-164.70000114.8K58K58-S60 PolarHBondContact O-N 2.89Å
61M30.2Very low30Very low155 Ų155149.1 Ų149.176%0.76478%0.775SS**THydrogen-bonded Turntrans-108.4-9.9174.5-108.2-169.8-179.400113.4K58 N65K58-M61 PolarHBondContact O-N 3.06Å; M61-N65 PolarHBondContact O-ND2 3.1Å
62E33.7Very low29.6Very low119 Ų119140.6 Ų140.656%0.55676%0.758SS**SBendtrans-99.22.6-172.3-74.1176.2172.800114.3
63K33.2Very low29.3Very low181 Ų181140.3 Ų140.379%0.78776%0.757SS**SBendtrans-97.4-5.8177.6-85.5-176.4176.2178.30116.7
64N30.9Very low29.2Very low156 Ų156148 Ų14883%0.83476%0.763SS**SBendtrans-119.110.3173.2-80.5-8000114.2
65N29.8Very low28.8Very low109 Ų109145.5 Ų145.558%0.58376%0.756SS**SBendtrans-116.911.5-174.4-87.7-34.6000114.6M61M61-N65 PolarHBondContact O-ND2 3.1Å
66S28.1Very low28.4Very low91 Ų91151.9 Ų151.964%0.63677%0.767SS**SBendtrans-99.5-2.7-174.841.40000115.5
67S27.3Very low28Very low116 Ų116143.8 Ų143.881%0.81175%0.754SS**SBendtrans-107.7-3.4179.247.90000115.4
68A27.1Very low27.6Very low87 Ų87145.1 Ų145.172%0.71975%0.753SS**SBendtrans-105.32.9-179.500000114.8
69L26Very low27.2Very low140 Ų140141.5 Ų141.573%0.73374%0.74SS**SBendtrans-112.14.8-172.6-82.6160.9000115
70Q25.2Very low26.8Very low187 Ų187138.9 Ų138.987%0.87473%0.734SS**SBendtrans-111.1-2-179.7-82-173.1-10.100116G72Q70-G72 PolarHBondContact O-N 2.81Å
71A25.9Very low26.5Very low97 Ų97136.5 Ų136.580%0.80271%0.711SS**SBendtrans-90.893.3179.500000112.9
72G23.4Very low26.2Very low54 Ų54138.2 Ų138.256%0.55771%0.711SS**  trans73.8104.2131.600000117.8Q70 W74Q70-G72 PolarHBondContact O-N 2.81Å; G72-W74 VanDerWaalsContact O-CD1 3.22Å; G72-W74 PolarHBondContact O-N 3.01Å
73R24.7Very low25.7Very low244 Ų244135.4 Ų135.492%0.92170%0.704SS**  trans-52.1106.2156.3-71.4178.5172.3-156.9-1.2109.2
74W27.1Very low25.3Very low236 Ų236129.2 Ų129.289%0.89468%0.684SS**  trans-70.4131.4175.1-72.584.9000110.3G72G72-W74 VanDerWaalsContact O-CD1 3.22Å; G72-W74 PolarHBondContact O-N 3.01Å
75P24.1Very low24.8Very low108 Ų108128.3 Ų128.370%0.70168%0.679SS**  trans-66145.6175.227.2-31.1000109.6G77P75-G77 VanDerWaalsContact C-N 3.33Å; P75-G77 PolarHBondContact O-N 3.21Å
76R22.5Very low24.7Very low252 Ų252132.1 Ų132.195%0.95169%0.69SS**  trans-57.491.4174.4-71.9176.1162.9173.7-6.1109.6R78R76-R78 PolarHBondContact O-N 3.42Å
77G23.8Very low24.5Very low57 Ų57138.5 Ų138.559%0.58870%0.701SS**PPolyproline II helixtrans-70.2123.2-178.500000112.4P75P75-G77 VanDerWaalsContact C-N 3.33Å; P75-G77 PolarHBondContact O-N 3.21Å
78R22.1Very low24.4Very low238 Ų238143.5 Ų143.590%0.89870%0.702SS**PPolyproline II helixtrans-62.6135.8164.7-103.3176.9163.2-178.9-5.9109.6R76 T80R76-R78 PolarHBondContact O-N 3.42Å; R78-T80 PolarHBondContact O-N 3.25Å
79L23.6Very low24.2Very low73 Ų73151.5 Ų151.538%0.38271%0.713SS.*PPolyproline II helixtrans-65.2123.2165.5-15885.6000107.4I81 Y304 Y306L79-I81 HydrophobicContact CD2-CD1 4.13Å; L79-I81 HydrophobicContact CD2-CG1 3.89Å; L79-I81 HydrophobicContact CG-CG1 4.41Å; L79-Y304 HydrophobicContact CD1-CE1 4.42Å; L79-Y304 HydrophobicContact CD1-CE2 4.31Å; L79-Y304 HydrophobicContact CD2-CD1 4.15Å; L79-Y304 HydrophobicContact CD2-CE1 3.82Å; L79-Y306 WeakPolarHBondContact CD2-OH 3.26Å
80T23.9Very low24.1Very low95 Ų95150.9 Ų150.958%0.58372%0.715SS**  trans-108.3112170.5-48.80000107R78 Y82R78-T80 PolarHBondContact O-N 3.25Å; T80-Y82 HydrophobicContact CG2-CD2 4.28Å; T80-Y82 HydrophobicContact CG2-CE1 4.38Å; T80-Y82 HydrophobicContact CG2-CE2 3.58Å
81I24.1Very low24Very low71 Ų71150.2 Ų150.236%0.36471%0.712SS.*  trans-89.7123.8-179.1-59.2160.4000107L79 Y306 V317L79-I81 HydrophobicContact CD2-CD1 4.13Å; L79-I81 HydrophobicContact CD2-CG1 3.89Å; L79-I81 HydrophobicContact CG-CG1 4.41Å; I81-Y306 HydrophobicContact CB-CE1 4.26Å; I81-Y306 HydrophobicContact CD1-CE1 3.68Å; I81-Y306 HydrophobicContact CG1-CE1 3.72Å; I81-Y306 HydrophobicContact CG2-CD1 4.04Å; I81-Y306 HydrophobicContact CG2-CE1 3.5Å; I81-Y306 VanDerWaalsContact CG2-CE1 3.5Å; I81-V317 HydrophobicContact CD1-CG1 4.16Å
82Y23.8Very low23.9Very low191 Ų191151.6 Ų151.675%0.74971%0.713SS**  trans-107.5121.7172.9-67.5-86000108.7T80T80-Y82 HydrophobicContact CG2-CD2 4.28Å; T80-Y82 HydrophobicContact CG2-CE1 4.38Å; T80-Y82 HydrophobicContact CG2-CE2 3.58Å
83S23.2Very low24Very low61 Ų61156.7 Ų156.743%0.42772%0.722SS.*  trans-70.6131.3170.91730000109.9D85S83-D85 VanDerWaalsContact C-N 3.35Å; S83-D85 PolarHBondContact O-N 3.19Å
84S24Very low23.9Very low50 Ų50154.2 Ų154.235%0.3572%0.721SS.*  trans-88.165.7178.467.30000111.9F86 W281S84-F86 PolarHBondContact O-N 3.27Å; S84-W281 VanDerWaalsContact OG-CZ2 3.28Å; S84-W281 WeakPolarHBondContact OG-CZ2 3.48Å
85D21.9Very low23.8Very low137 Ų137151 Ų15173%0.73371%0.714SS**  trans-8857.2160.3-89.5-30.4000110.2S83 R87S83-D85 VanDerWaalsContact C-N 3.35Å; S83-D85 PolarHBondContact O-N 3.19Å; D85-R87 PolarHBondContact O-N 3.09Å
86F26.4Very low23.9Very low189 Ų189153 Ų15383%0.82972%0.719SS**  trans-99.277.3174.7-86.1-85000110.5S84S84-F86 PolarHBondContact O-N 3.27Å
87R25.6Very low23.9Very low225 Ų225150.3 Ų150.385%0.84971%0.714SS**  trans-138.816.3162.1-89.4-161.2178.3-172.6-0.6115D85D85-R87 PolarHBondContact O-N 3.09Å
88R24.7Very low24Very low221 Ų221155 Ų15583%0.83473%0.726SS**  trans-103.6110.7162.6-74-172.4176.7-164.30.1109T90R88-T90 PolarHBondContact O-N 3.36Å
89R21.5Very low24.2Very low256 Ų256155.3 Ų155.397%0.96673%0.727SS**  trans-5796.6151.1-85.7-179.2170-175-2.9105.9
90T25.3Very low24.4Very low126 Ų126159 Ų15977%0.77375%0.747SS**  trans-88.1119.7153.929.70000105.8R88R88-T90 PolarHBondContact O-N 3.36Å
91E22.5Very low24.5Very low174 Ų174165.3 Ų165.381%0.81376%0.76SS**  trans-49.2147.8168.9-68.6-176.815600109.4E93E91-E93 VanDerWaalsContact C-N 3.29Å; E91-E93 PolarHBondContact O-N 3.24Å
92P23.9Very low24.6Very low126 Ų126166.8 Ų166.882%0.81878%0.777SS**  trans-67.791.3178.728.2-31.7000108.9Q94P92-Q94 PolarHBondContact O-N 2.86Å
93E25Very low24.9Very low160 Ų160167.1 Ų167.175%0.74879%0.785SS**  trans-62.4110.3162.2-89.1-170.5156.500107.4E91 F95E91-E93 VanDerWaalsContact C-N 3.29Å; E91-E93 PolarHBondContact O-N 3.24Å; E93-F95 VanDerWaalsContact C-N 3.32Å; E93-F95 HydrophobicContact CB-CD2 4.25Å; E93-F95 PolarHBondContact O-N 2.93Å
94Q22.8Very low25.2Very low193 Ų193175.6 Ų175.690%0.90281%0.808SS**  trans-57.496.6162.3-75175.5-2300108P92 D96P92-Q94 PolarHBondContact O-N 2.86Å; Q94-D96 PolarHBondContact O-N 3.08Å
95F25.2Very low25.4Very low169 Ų169184.1 Ų184.174%0.74183%0.834SS**  trans-87.8104.2168.2-111.2-90.5000109.4E93 F97E93-F95 VanDerWaalsContact C-N 3.32Å; E93-F95 HydrophobicContact CB-CD2 4.25Å; E93-F95 PolarHBondContact O-N 2.93Å; F95-F97 PolarHBondContact O-N 3.19Å
96D25.7Very low25.9Very low149 Ų149183.3 Ų183.380%0.79784%0.836SS**  trans-55.9122.2173.2-102.6-36.8000111.4Q94 N98Q94-D96 PolarHBondContact O-N 3.08Å; D96-N98 PolarHBondContact O-N 3.38Å
97F23.5Very low25.9Very low196 Ų196183.2 Ų183.286%0.8684%0.838SS**SBendtrans-74.225.2-180-99.8-87.5000114.6F95F95-F97 PolarHBondContact O-N 3.19Å
98N25.1Very low26.1Very low154 Ų154181.4 Ų181.482%0.82484%0.84SS**  trans-136.750.2-170.7-96.9-23.2000114.6D96D96-N98 PolarHBondContact O-N 3.38Å
99R26.8Very low26.2Very low246 Ų246178 Ų17893%0.92884%0.838SS**  trans-130.698.6165.6-114177.2179.4176.8-0.4113.6
100N26.8Very low26.4Very low151 Ų151173.9 Ų173.981%0.80783%0.834SS**  trans-46.1155.4160.9-92.5-35.7000113.9
101R28Very low26.5Very low226 Ų226174 Ų17485%0.85384%0.837SS**  trans92.399.6151.6-77.8170.5-176.6-168.30.5118.6
102S25.7Very low26.5Very low103 Ų103171.7 Ų171.772%0.7284%0.839SS**  55.8105.2119.166.90000118.1
103E30.1Very low26.6Very low197 Ų197170.7 Ų170.792%0.92184%0.835SS**  trans-150.8128.2140-111.3161.7-156.500109.4
104R29.3Very low26.6Very low240 Ų240167.6 Ų167.691%0.90683%0.831SS**  trans-80.6138.8-173.2-64.2173.5177.9-175.4-2.3109.4
105Y27.4Very low26.9Very low228 Ų228164.3 Ų164.389%0.89482%0.824SS**  trans-111.2133.5148.2-87.1-85.8000108.5
106P31.8Very low26.9Very low120 Ų120167.5 Ų167.578%0.77983%0.831SS**  trans-78.7150.5-167.631.3-33.5000113.5
107E26.6Very low27Very low187 Ų187172.3 Ų172.387%0.87484%0.838SS**  trans-62.5136.1174-64.8164.1131.100112.5
108E30.4Very low27Very low188 Ų188174.4 Ų174.488%0.87984%0.841SS**  trans-137.2102.1147.3-76.2-168.3166.700109.6
109D28Very low26.9Very low149 Ų149175.3 Ų175.380%0.79784%0.84SS**  trans5787.7136-59.6-19.3000121
110L24.3Very low26.6Very low170 Ų170167.6 Ų167.689%0.8982%0.821SS**  trans-103.3120146.7-79.1166.2000109.4C112L110-C112 PolarHBondContact O-N 3.39Å
111P28Very low26.3Very low127 Ų127169.8 Ų169.883%0.82582%0.82SS**  trans-75.2112.717327.1-29.1000110.9
112C21.9Very low26Very low126 Ų126166.2 Ų166.285%0.85182%0.817SS**  trans-68.6133.5167.8-146.30000110.9L110L110-C112 PolarHBondContact O-N 3.39Å
113S26.9Very low25.7Very low105 Ų105165 Ų16573%0.73482%0.821SS**  trans-15997.6146.153.30000109.3
114S25.3Very low25.3Very low95 Ų95161.6 Ų161.666%0.66481%0.813SS**  53.9110.1102.871.80000112.9
115T28.4Very low24.9Very low125 Ų125156.6 Ų156.677%0.76780%0.804SS**  -170.7126.88229.30000112.7
116R24.5Very low24.8Very low235 Ų235153.6 Ų153.689%0.88780%0.802SS**  trans47.7102.3139.1-66.1-178.4172.5-168-1.7118.7
117R27.3Very low24.3Very low251 Ų251152.3 Ų152.395%0.94779%0.792SS**  -160.6125.5120-103.3169.4-166.5-154.33.5110.1
118R23.6Very low24.2Very low240 Ų240154.2 Ų154.291%0.90679%0.791SS**  trans-56.1135.6-175-64.8172170.9-179.3-4.2112.5
119H23.3Very low23.9Very low173 Ų173150.7 Ų150.780%0.80178%0.784SS**  trans-147.3123.6131.9-100.1-67.6000109.2
120P20.9Very low23.8Very low84 Ų84148.5 Ų148.555%0.54578%0.778SS.*  trans-79.7-174.8169.234.7-28.8000109.5
121Y21.2Very low23.8Very low197 Ų197148.9 Ų148.977%0.77378%0.78SS**  trans88.3134177.4-49.2-64.7000114.5
122L21.4Very low24.1Very low151 Ų151150.4 Ų150.479%0.79177%0.769SS**  cis-171.2139.60.9-118.7155.1000104.6
123G19.4Very low24.3Very low78 Ų78155.4 Ų155.480%0.80477%0.771SS**  trans-61.3134.1178.200000112.2
124V21.8Very low24.7Very low125 Ų125158.9 Ų158.976%0.75877%0.768SS**  trans-127.7117.5161.5-179.20000106.1I126V124-I126 WeakPolarHBondContact O-CG1 3.36Å; V124-I126 PolarHBondContact O-N 3.48Å
125D21.2Very low24.9Very low134 Ų134156.6 Ų156.672%0.71775%0.749SS**  trans-56.9110.5179.3-155.1-20.7000110T127D125-T127 VanDerWaalsContact C-N 3.26Å; D125-T127 PolarHBondContact O-N 3.3Å; D125-T127 VanDerWaalsContact OD1-CG2 3.24Å; D125-T127 WeakPolarHBondContact OD1-CG2 3.48Å; D125-T127 PolarHBondContact OD1-OG1 2.99Å
126I24.1Very low25.3Very low165 Ų165152.2 Ų152.285%0.84672%0.724SS**  trans-93.832.8-174.5-39.9-179000110.3V124V124-I126 WeakPolarHBondContact O-CG1 3.36Å; V124-I126 PolarHBondContact O-N 3.48Å
127T22.3Very low26.2Very low94 Ų94143.1 Ų143.158%0.57769%0.69SS**SBendtrans-92.7-8.2-168.4460000115.1D125D125-T127 VanDerWaalsContact C-N 3.26Å; D125-T127 PolarHBondContact O-N 3.3Å; D125-T127 VanDerWaalsContact OD1-CG2 3.24Å; D125-T127 WeakPolarHBondContact OD1-CG2 3.48Å; D125-T127 PolarHBondContact OD1-OG1 2.99Å
128R22.9Very low26.9Very low227 Ų227137.3 Ų137.386%0.85767%0.673SS**  trans-148.6112.5172.9-63.3-174.1-176.6177.40.9113.3
129P24.4Very low27.5Very low113 Ų113133.4 Ų133.473%0.73467%0.665SS**  trans-62.3143.5165.724.7-29.8000109.5L131P129-L131 PolarHBondContact O-N 3.37Å
130P26.1Very low28.3Very low103 Ų103129.1 Ų129.167%0.66965%0.648SS**  trans-54.7131.9175.921.7-31.3000109.2R132P130-R132 VanDerWaalsContact C-N 3.27Å; P130-R132 PolarHBondContact O-N 3.09Å
131L24.5Very low29.6Very low178 Ų178128 Ų12893%0.93264%0.636SS**  trans-57.389.2174.6-78.6160000109.2P129 R133P129-L131 PolarHBondContact O-N 3.37Å; L131-R133 PolarHBondContact O-N 2.87Å
132R33.6Very low30.5Very low159 Ų159124.5 Ų124.560%0.664%0.637SS**  trans-74111.3175.9-69.6-175.2-179.4-157.5-0.1108P130P130-R132 VanDerWaalsContact C-N 3.27Å; P130-R132 PolarHBondContact O-N 3.09Å
133R27.4Very low31.7Very low232 Ų232125.4 Ų125.488%0.87564%0.637SS**  trans-83.5117.1165.9-75.4-174.3173.8-179.6-1.5108.4L131L131-R133 PolarHBondContact O-N 2.87Å
134W35.4Very low32.9Very low177 Ų177121.9 Ų121.967%0.6760%0.6SS**  trans-90.5128.2171.8-61.391.9000108.1H192W134-H192 AromaticContact CH2-NE2 3.98Å; W134-H192 AromaticContact CZ3-NE2 3.89Å
135V30Very low34Very low47 Ų47123.1 Ų123.129%0.28560%0.598SS.*  trans-121.5114.6174-172.70000107.1W159 H163V135-W159 HydrophobicContact CB-CH2 4Å; V135-W159 HydrophobicContact CB-CZ2 4.17Å; V135-W159 HydrophobicContact CG1-CH2 3.89Å; V135-W159 HydrophobicContact CG1-CZ2 3.57Å; V135-H163 WeakPolarHBondContact CG1-ND1 3.44Å
136S35.6Very low35Very low34 Ų34119.8 Ų119.824%0.23858%0.583CS.*  trans-75.4124.9176.8178.20000109H138 E139S136-H138 PolarHBondContact O-N 3.28Å; S136-H138 PolarHBondContact OG-N 2.64Å; S136-E139 WeakPolarHBondContact CB-OE2 3.35Å; S136-E139 PolarHBondContact O-N 3.39Å
137W43.8Very low36Very low43 Ų43121 Ų12116%0.16358%0.583CS.*THydrogen-bonded Turntrans-54.9-38.2174.6-177.3-73.8000112.3Y151 I156 W159W137-Y151 AromaticContact CE2-CD1 3.96Å; W137-Y151 AromaticContact CE2-CE1 3.67Å; W137-Y151 AromaticContact CZ2-CD1 3.56Å; W137-Y151 HydrophobicContact CZ2-CD1 3.56Å; W137-Y151 AromaticContact CZ2-CE1 3.76Å; W137-Y151 HydrophobicContact CZ2-CE1 3.76Å; W137-Y151 HydrophobicContact CZ2-CG 4.21Å; W137-Y151 AromaticContact NE1-CD1 3.86Å; W137-Y151 AromaticContact NE1-CE1 3.1Å; W137-Y151 AromaticContact NE1-CZ 3.43Å; W137-Y151 PolarHBondContact NE1-OH 2.94Å; W137-I156 HydrophobicContact CH2-CB 3.91Å; W137-I156 HydrophobicContact CH2-CG1 3.4Å; W137-I156 VanDerWaalsContact CH2-CG1 3.4Å; W137-I156 HydrophobicContact CH2-CG2 4.23Å; W137-I156 HydrophobicContact CZ2-CG1 4.28Å; W137-I156 HydrophobicContact CZ3-CB 4.39Å; W137-I156 HydrophobicContact CZ3-CG1 4.08Å; W137-I156 HydrophobicContact CZ3-CG2 4.22Å; W137-W159 HydrophobicContact CB-CZ2 4.46Å; W137-W159 HydrophobicContact CE3-CD2 4.09Å; W137-W159 HydrophobicContact CE3-CE3 4.28Å; W137-W159 HydrophobicContact CE3-CG 4.45Å; W137-W159 HydrophobicContact CH2-CB 4.3Å; W137-W159 HydrophobicContact CH2-CG 4.45Å; W137-W159 HydrophobicContact CZ3-CD2 4.33Å; W137-W159 HydrophobicContact CZ3-CE3 4.42Å; W137-W159 HydrophobicContact CZ3-CG 4.43Å
138H41.9Very low36.9Very low129 Ų129126.7 Ų126.760%0.59760%0.603SS**THydrogen-bonded Turntrans-86.3-11-170.3-70-68.7000114.7S136 Y151S136-H138 PolarHBondContact O-N 3.28Å; S136-H138 PolarHBondContact OG-N 2.64Å; H138-Y151 PolarHBondContact CE1-OH 3.43Å
139E36.6Very low37.6Very low159 Ų159118.2 Ų118.274%0.74359%0.586SS**THydrogen-bonded Turntrans-92-19.7-172.4-71.1177.217100113.1S136S136-E139 WeakPolarHBondContact CB-OE2 3.35Å; S136-E139 PolarHBondContact O-N 3.39Å
140D40.7Very low38.4Very low82 Ų82113.8 Ų113.844%0.43956%0.561SS.*SBendtrans-108-9.2-164.6-74.2-23.6000115.8H163D140-H163 IonicContact OD2-CE1 3.92Å; D140-H163 PolarHBondContact OD2-CE1 3.17Å; D140-H163 IonicContact OD2-NE2 2.98Å
141E46.8Very low39.3Very low60 Ų60109.8 Ų109.828%0.2853%0.533SS..  trans-141.7105.8177.7-73.3-166.7174.200113.4E143 S144 K162E141-E143 PolarHBondContact O-N 3.38Å; E141-S144 WeakPolarHBondContact O-CB 3.39Å; E141-S144 PolarHBondContact O-N 2.94Å; E141-S144 PolarHBondContact O-OG 2.88Å; E141-K162 IonicContact OE1-NZ 2.64Å; E141-K162 PolarHBondContact OE1-NZ 2.91Å
142P41Very low40.4Very low124 Ų124104 Ų10481%0.80551%0.507SS*.G310 helixtrans-61.9-20.217224.1-31.6000112.6
143E46.2Very low40.8Very low170 Ų17098.9 Ų98.979%0.79450%0.499SS*.G310 helixtrans-84.6-10.2173.5-63.3-171.1166.800113.9E141 Q145E141-E143 PolarHBondContact O-N 3.38Å; E143-Q145 PolarHBondContact O-N 3.39Å
144S45.6Very low41.9Very low4 Ų491 Ų913%0.02848%0.479CS..G310 helixtrans-84.811.9175.775.20000113.4E141 Y151E141-S144 WeakPolarHBondContact O-CB 3.39Å; E141-S144 PolarHBondContact O-N 2.94Å; E141-S144 PolarHBondContact O-OG 2.88Å; S144-Y151 WeakPolarHBondContact O-CE1 3.47Å; S144-Y151 PolarHBondContact O-OH 3.44Å
145Q44.4Very low42.6Very low152 Ų15285.6 Ų85.671%0.7146%0.462SS*.SBendtrans-64.6128.8165.7-74.4-163.41.100108.5E143 K147E143-Q145 PolarHBondContact O-N 3.39Å; Q145-K147 PolarHBondContact O-N 3.41Å
146P41.9Very low43.5Very low63 Ų6383.3 Ų83.341%0.40945%0.448SS..  trans-62.1108-178.424.2-31.1000108.6Q148 Y151P146-Q148 PolarHBondContact O-N 3.08Å; P146-Y151 HydrophobicContact CB-CE2 4.25Å; P146-Y151 HydrophobicContact CG-CE2 4.25Å
147K44.5Very low44.2Very low192 Ų19286.5 Ų86.584%0.83546%0.459SS*.  trans-6699.9171.7-69.3-178.3-178.8176.40108.1Q145 G149Q145-K147 PolarHBondContact O-N 3.41Å; K147-G149 PolarHBondContact O-N 2.95Å
148Q41.3Very low44.8Very low212 Ų21290.8 Ų90.899%0.99148%0.481SS*.SBendtrans39.19.6169.4-95.6-176.5-6.200120P146P146-Q148 PolarHBondContact O-N 3.08Å
149G37.2Very low45.5Very low50 Ų5085.4 Ų85.452%0.51546%0.456SS..SBendtrans-150.912.9-169.400000114.1K147K147-G149 PolarHBondContact O-N 2.95Å
150G41.9Very low46.2Very low19 Ų1977.9 Ų77.920%0.19642%0.421CS..  trans75.6-169.3-176.300000113
151Y45.2Very low46.8Very low20 Ų2077.3 Ų77.38%0.07842%0.416CS..  trans-93.1129.5-179.9-62.6-83.9000110.3W137 H138 S144 P146 M155 M176 P181W137-Y151 AromaticContact CE2-CD1 3.96Å; W137-Y151 AromaticContact CE2-CE1 3.67Å; W137-Y151 AromaticContact CZ2-CD1 3.56Å; W137-Y151 HydrophobicContact CZ2-CD1 3.56Å; W137-Y151 AromaticContact CZ2-CE1 3.76Å; W137-Y151 HydrophobicContact CZ2-CE1 3.76Å; W137-Y151 HydrophobicContact CZ2-CG 4.21Å; W137-Y151 AromaticContact NE1-CD1 3.86Å; W137-Y151 AromaticContact NE1-CE1 3.1Å; W137-Y151 AromaticContact NE1-CZ 3.43Å; W137-Y151 PolarHBondContact NE1-OH 2.94Å; H138-Y151 PolarHBondContact CE1-OH 3.43Å; S144-Y151 WeakPolarHBondContact O-CE1 3.47Å; S144-Y151 PolarHBondContact O-OH 3.44Å; P146-Y151 HydrophobicContact CB-CE2 4.25Å; P146-Y151 HydrophobicContact CG-CE2 4.25Å; Y151-M155 HydrophobicContact CD1-SD 3.77Å; Y151-M155 HydrophobicContact CE1-SD 4.47Å; Y151-M176 WeakPolarHBondContact O-CE 3.32Å; Y151-M176 VanDerWaalsContact O-SD 3.32Å; Y151-P181 HydrophobicContact CD2-CG 4.01Å; Y151-P181 HydrophobicContact CG-CG 4.12Å
152S46.8Very low47.5Very low57 Ų5780.3 Ų80.340%0.39943%0.427SS..  trans-75.7142.6174.167.70000111.1S154 M155 I156S152-S154 PolarHBondContact O-N 2.93Å; S152-S154 PolarHBondContact OG-OG 3.27Å; S152-M155 WeakPolarHBondContact O-CB 3.39Å; S152-M155 PolarHBondContact O-N 2.96Å; S152-M155 WeakPolarHBondContact OG-CB 3.5Å; S152-M155 PolarHBondContact OG-N 2.78Å; S152-I156 WeakPolarHBondContact O-CD1 3.31Å; S152-I156 WeakPolarHBondContact O-CG1 3.03Å; S152-I156 PolarHBondContact O-N 3.48Å
153A43.1Very low48.1Very low51 Ų5177.1 Ų77.142%0.42140%0.402SS..Hα-helixtrans-45.3-36.2176.300000113.5I156 E157 T174A153-I156 WeakPolarHBondContact O-CB 3.42Å; A153-E157 PolarHBondContact O-N 3.42Å; A153-T174 HydrophobicContact CB-CG2 4.31Å
154S49.2Very low48.3Very low67 Ų6772.5 Ų72.547%0.46938%0.379SS..Hα-helixtrans-67.3-46.9176.753.10000113.8S152 I156 E157 E158S152-S154 PolarHBondContact O-N 2.93Å; S152-S154 PolarHBondContact OG-OG 3.27Å; S154-I156 PolarHBondContact O-N 2.79Å; S154-E157 PolarHBondContact O-N 2.75Å; S154-E157 VanDerWaalsContact O-N 3.09Å; S154-E158 WeakPolarHBondContact O-CG 3.38Å; S154-E158 PolarHBondContact O-N 3.49Å
155M51.8Low48.3Very low62 Ų6274 Ų7431%0.30540%0.395SS..Hα-helixtrans-59.7-37.1177.6-178.7-176.7-71.800110.7Y151 S152 W159Y151-M155 HydrophobicContact CD1-SD 3.77Å; Y151-M155 HydrophobicContact CE1-SD 4.47Å; S152-M155 WeakPolarHBondContact O-CB 3.39Å; S152-M155 PolarHBondContact O-N 2.96Å; S152-M155 WeakPolarHBondContact OG-CB 3.5Å; S152-M155 PolarHBondContact OG-N 2.78Å; M155-W159 WeakPolarHBondContact O-CB 3.39Å; M155-W159 PolarHBondContact O-N 3.21Å
156I49Very low48.2Very low0 Ų075.9 Ų75.90%040%0.401CS..Hα-helixtrans-66.7-50.6174.1-61.9142.4000110.4W137 S152 A153 S154 E158 W159 V160 T174 P181 R183W137-I156 HydrophobicContact CH2-CB 3.91Å; W137-I156 HydrophobicContact CH2-CG1 3.4Å; W137-I156 VanDerWaalsContact CH2-CG1 3.4Å; W137-I156 HydrophobicContact CH2-CG2 4.23Å; W137-I156 HydrophobicContact CZ2-CG1 4.28Å; W137-I156 HydrophobicContact CZ3-CB 4.39Å; W137-I156 HydrophobicContact CZ3-CG1 4.08Å; W137-I156 HydrophobicContact CZ3-CG2 4.22Å; S152-I156 WeakPolarHBondContact O-CD1 3.31Å; S152-I156 WeakPolarHBondContact O-CG1 3.03Å; S152-I156 PolarHBondContact O-N 3.48Å; A153-I156 WeakPolarHBondContact O-CB 3.42Å; S154-I156 PolarHBondContact O-N 2.79Å; I156-E158 VanDerWaalsContact C-N 3.31Å; I156-E158 PolarHBondContact O-N 2.63Å; I156-W159 PolarHBondContact O-N 2.96Å; I156-V160 WeakPolarHBondContact O-CG2 3.5Å; I156-V160 PolarHBondContact O-N 2.95Å; I156-V160 VanDerWaalsContact O-N 3.08Å; I156-T174 HydrophobicContact CB-CG2 4.33Å; I156-T174 HydrophobicContact CD1-CG2 3.95Å; I156-T174 HydrophobicContact CG2-CG2 3.81Å; I156-P181 HydrophobicContact CD1-CB 2.94Å; I156-P181 HydrophobicContact CD1-CG 3.49Å; I156-P181 VanDerWaalsContact CD1-CG 3.49Å; I156-P181 HydrophobicContact CG1-CB 3.6Å; I156-P181 HydrophobicContact CG1-CG 3.69Å; I156-P181 HydrophobicContact CG2-CB 4.38Å; I156-R183 HydrophobicContact CG2-CG 3.59Å; I156-R183 VanDerWaalsContact CG2-CZ 3.47Å; I156-R183 PolarHBondContact O-NH2 3.27Å
157E48.7Very low48.1Very low100 Ų10075.9 Ų75.947%0.46741%0.412SS..Hα-helixtrans-58.4-44.1177.8-165.2176.1172.100112.4A153 S154 W159 V160 Q161A153-E157 PolarHBondContact O-N 3.42Å; S154-E157 PolarHBondContact O-N 2.75Å; S154-E157 VanDerWaalsContact O-N 3.09Å; E157-W159 PolarHBondContact O-N 3.25Å; E157-V160 PolarHBondContact O-N 3.36Å; E157-Q161 WeakPolarHBondContact O-CG 3.46Å; E157-Q161 PolarHBondContact O-N 3.42Å; E157-Q161 PolarHBondContact OE1-NE2 3.07Å
158E57.5Low47.8Very low134 Ų13471.2 Ų71.263%0.62639%0.393SS*.Hα-helixtrans-59-46.5176.2-76-179166.800112.4S154 I156 V160 Q161 K162S154-E158 WeakPolarHBondContact O-CG 3.38Å; S154-E158 PolarHBondContact O-N 3.49Å; I156-E158 VanDerWaalsContact C-N 3.31Å; I156-E158 PolarHBondContact O-N 2.63Å; E158-V160 VanDerWaalsContact C-N 3.31Å; E158-V160 PolarHBondContact O-N 3.4Å; E158-Q161 PolarHBondContact O-N 2.99Å; E158-K162 WeakPolarHBondContact O-CB 3.07Å; E158-K162 PolarHBondContact O-N 2.91Å
159W57.4Low47.5Very low15 Ų1572.3 Ų72.36%0.05739%0.388CS..Hα-helixtrans-60.3-40.3176.7-176.199.4000111.6V135 W137 M155 I156 E157 K162 H163 F164V135-W159 HydrophobicContact CB-CH2 4Å; V135-W159 HydrophobicContact CB-CZ2 4.17Å; V135-W159 HydrophobicContact CG1-CH2 3.89Å; V135-W159 HydrophobicContact CG1-CZ2 3.57Å; W137-W159 HydrophobicContact CB-CZ2 4.46Å; W137-W159 HydrophobicContact CE3-CD2 4.09Å; W137-W159 HydrophobicContact CE3-CE3 4.28Å; W137-W159 HydrophobicContact CE3-CG 4.45Å; W137-W159 HydrophobicContact CH2-CB 4.3Å; W137-W159 HydrophobicContact CH2-CG 4.45Å; W137-W159 HydrophobicContact CZ3-CD2 4.33Å; W137-W159 HydrophobicContact CZ3-CE3 4.42Å; W137-W159 HydrophobicContact CZ3-CG 4.43Å; M155-W159 WeakPolarHBondContact O-CB 3.39Å; M155-W159 PolarHBondContact O-N 3.21Å; I156-W159 PolarHBondContact O-N 2.96Å; E157-W159 PolarHBondContact O-N 3.25Å; W159-K162 WeakPolarHBondContact O-CB 3.12Å; W159-K162 PolarHBondContact O-N 2.99Å; W159-H163 AromaticContact CD1-CD2 3.85Å; W159-H163 AromaticContact CD1-NE2 3.9Å; W159-H163 AromaticContact CD2-CD2 3.61Å; W159-H163 AromaticContact CE2-CD2 3.41Å; W159-H163 VanDerWaalsContact CE2-CD2 3.41Å; W159-H163 AromaticContact CE2-NE2 3.73Å; W159-H163 AromaticContact CG-CD2 3.93Å; W159-H163 AromaticContact CZ2-CD2 3.87Å; W159-H163 AromaticContact NE1-CD2 3.53Å; W159-H163 AromaticContact NE1-NE2 3.42Å; W159-H163 PolarHBondContact NE1-NE2 3.26Å; W159-H163 PolarHBondContact O-CD2 3.37Å; W159-H163 VanDerWaalsContact O-CD2 3.25Å; W159-H163 PolarHBondContact O-N 2.62Å; W159-H163 VanDerWaalsContact O-N 3.09Å; W159-F164 HydrophobicContact CH2-CE2 4.33Å; W159-F164 AromaticContact CZ3-CE2 3.8Å; W159-F164 HydrophobicContact CZ3-CE2 3.8Å
160V50.8Low47.6Very low2 Ų275.8 Ų75.81%0.01239%0.386CS..Hα-helixtrans-69.2-43176.9-155.60000111.5I156 E157 E158 K162 H163 F164 F171 F185I156-V160 WeakPolarHBondContact O-CG2 3.5Å; I156-V160 PolarHBondContact O-N 2.95Å; I156-V160 VanDerWaalsContact O-N 3.08Å; E157-V160 PolarHBondContact O-N 3.36Å; E158-V160 VanDerWaalsContact C-N 3.31Å; E158-V160 PolarHBondContact O-N 3.4Å; V160-K162 PolarHBondContact O-N 2.93Å; V160-H163 PolarHBondContact O-N 2.71Å; V160-F164 HydrophobicContact CB-CD2 4.44Å; V160-F164 HydrophobicContact CG1-CB 3.97Å; V160-F164 HydrophobicContact CG1-CD2 3.32Å; V160-F164 HydrophobicContact CG1-CE2 4.08Å; V160-F164 HydrophobicContact CG1-CG 3.87Å; V160-F164 WeakPolarHBondContact O-CB 3.24Å; V160-F164 PolarHBondContact O-N 3.18Å; V160-F171 HydrophobicContact CB-CE1 3.69Å; V160-F171 HydrophobicContact CB-CZ 3.58Å; V160-F171 HydrophobicContact CG1-CE1 3.47Å; V160-F171 VanDerWaalsContact CG1-CE1 3.47Å; V160-F171 HydrophobicContact CG1-CZ 3.26Å; V160-F171 HydrophobicContact CG2-CE1 3.75Å; V160-F171 HydrophobicContact CG2-CZ 4.18Å; V160-F185 HydrophobicContact CG1-CE1 4.02Å; V160-F185 HydrophobicContact CG1-CZ 4.14Å; V160-F185 HydrophobicContact CG2-CZ 4.42Å
161Q53.6Low47.4Very low70 Ų7078.5 Ų78.533%0.32739%0.393SS..Hα-helixtrans-59.3-35.1177.4-70.9-177.317.600111.4E157 E158 G165E157-Q161 WeakPolarHBondContact O-CG 3.46Å; E157-Q161 PolarHBondContact O-N 3.42Å; E157-Q161 PolarHBondContact OE1-NE2 3.07Å; E158-Q161 PolarHBondContact O-N 2.99Å; Q161-G165 CarbonylContact O-C 3.51Å; Q161-G165 VanDerWaalsContact O-CA 3.26Å; Q161-G165 WeakPolarHBondContact O-CA 3.29Å; Q161-G165 PolarHBondContact O-N 3.4Å; Q161-G165 VanDerWaalsContact O-N 3.1Å
162K60.4Low46.9Very low122 Ų12280.6 Ų80.653%0.5341%0.407SS..Hα-helixtrans-65.5-45.4175.3-173-174.2-177.9-171.70112.5E141 E158 W159 V160E141-K162 IonicContact OE1-NZ 2.64Å; E141-K162 PolarHBondContact OE1-NZ 2.91Å; E158-K162 WeakPolarHBondContact O-CB 3.07Å; E158-K162 PolarHBondContact O-N 2.91Å; W159-K162 WeakPolarHBondContact O-CB 3.12Å; W159-K162 PolarHBondContact O-N 2.99Å; V160-K162 PolarHBondContact O-N 2.93Å
163H53Low46.3Very low58 Ų5886.1 Ų86.127%0.26942%0.419SS..Hα-helixtrans-93.2-25.1-172.2-72.8-78.8000115.1V135 D140 W159 V160V135-H163 WeakPolarHBondContact CG1-ND1 3.44Å; D140-H163 IonicContact OD2-CE1 3.92Å; D140-H163 PolarHBondContact OD2-CE1 3.17Å; D140-H163 IonicContact OD2-NE2 2.98Å; W159-H163 AromaticContact CD1-CD2 3.85Å; W159-H163 AromaticContact CD1-NE2 3.9Å; W159-H163 AromaticContact CD2-CD2 3.61Å; W159-H163 AromaticContact CE2-CD2 3.41Å; W159-H163 VanDerWaalsContact CE2-CD2 3.41Å; W159-H163 AromaticContact CE2-NE2 3.73Å; W159-H163 AromaticContact CG-CD2 3.93Å; W159-H163 AromaticContact CZ2-CD2 3.87Å; W159-H163 AromaticContact NE1-CD2 3.53Å; W159-H163 AromaticContact NE1-NE2 3.42Å; W159-H163 PolarHBondContact NE1-NE2 3.26Å; W159-H163 PolarHBondContact O-CD2 3.37Å; W159-H163 VanDerWaalsContact O-CD2 3.25Å; W159-H163 PolarHBondContact O-N 2.62Å; W159-H163 VanDerWaalsContact O-N 3.09Å; V160-H163 PolarHBondContact O-N 2.71Å
164F51.2Low45.9Very low73 Ų7385.8 Ų85.832%0.3241%0.412SS..Hα-helixtrans-118.1-3.3-176.2-60.4-94.9000113.3W159 V160W159-F164 HydrophobicContact CH2-CE2 4.33Å; W159-F164 AromaticContact CZ3-CE2 3.8Å; W159-F164 HydrophobicContact CZ3-CE2 3.8Å; V160-F164 HydrophobicContact CB-CD2 4.44Å; V160-F164 HydrophobicContact CG1-CB 3.97Å; V160-F164 HydrophobicContact CG1-CD2 3.32Å; V160-F164 HydrophobicContact CG1-CE2 4.08Å; V160-F164 HydrophobicContact CG1-CG 3.87Å; V160-F164 WeakPolarHBondContact O-CB 3.24Å; V160-F164 PolarHBondContact O-N 3.18Å
165G45.2Very low45.1Very low34 Ų3486.6 Ų86.635%0.35141%0.407SS..  trans85.3154.3171.600000114.9Q161 G167Q161-G165 CarbonylContact O-C 3.51Å; Q161-G165 VanDerWaalsContact O-CA 3.26Å; Q161-G165 WeakPolarHBondContact O-CA 3.29Å; Q161-G165 PolarHBondContact O-N 3.4Å; Q161-G165 VanDerWaalsContact O-N 3.1Å; G165-G167 VanDerWaalsContact C-N 3.35Å; G165-G167 PolarHBondContact O-N 2.96Å
166K43.3Very low44.3Very low193 Ų19387.7 Ų87.784%0.83941%0.413SS*.THydrogen-bonded Turntrans-7682174-66.6-179179.1-179.70109.5
167G38.2Very low43.6Very low63 Ų6389.4 Ų89.465%0.64942%0.423SS*.THydrogen-bonded Turntrans173.8-26.5-179.700000114.6G165 R169G165-G167 VanDerWaalsContact C-N 3.35Å; G165-G167 PolarHBondContact O-N 2.96Å; G167-R169 PolarHBondContact O-N 2.97Å
168E40Very low43Very low94 Ų9486.6 Ų86.644%0.43942%0.421SS..  trans-77.770.6169.5-66.9-167.2158.300109.9R170 F171E168-R170 PolarHBondContact O-N 2.93Å; E168-F171 VanDerWaalsContact O-CD2 3.31Å; E168-F171 WeakPolarHBondContact O-CD2 3.09Å; E168-F171 WeakPolarHBondContact O-CE2 2.92Å
169R33.9Very low42Very low234 Ų23485.3 Ų85.388%0.88342%0.415SS*.  trans-6942.1172.2-71.1-173.6172.1-175.5-1.5112.6G167 F171G167-R169 PolarHBondContact O-N 2.97Å; R169-F171 VanDerWaalsContact C-N 3.28Å
170R39.4Very low40.9Very low124 Ų12487 Ų8747%0.46842%0.423SS..  trans-96.830.5174.7-66.5-170.3-175.6-177.84.8111.8E168 E186E168-R170 PolarHBondContact O-N 2.93Å; R170-E186 HydrophobicContact CB-CB 3.89Å; R170-E186 HydrophobicContact CG-CB 4.41Å; R170-E186 PolarHBondContact O-N 3.47Å
171F36.9Very low40.1Very low76 Ų7688 Ų8833%0.33343%0.429SS..EExtended strand (participates in β ladder)trans-88.9113.5177.8-67.4-73.4000109.8V160 E168 R169 F185V160-F171 HydrophobicContact CB-CE1 3.69Å; V160-F171 HydrophobicContact CB-CZ 3.58Å; V160-F171 HydrophobicContact CG1-CE1 3.47Å; V160-F171 VanDerWaalsContact CG1-CE1 3.47Å; V160-F171 HydrophobicContact CG1-CZ 3.26Å; V160-F171 HydrophobicContact CG2-CE1 3.75Å; V160-F171 HydrophobicContact CG2-CZ 4.18Å; E168-F171 VanDerWaalsContact O-CD2 3.31Å; E168-F171 WeakPolarHBondContact O-CD2 3.09Å; E168-F171 WeakPolarHBondContact O-CE2 2.92Å; R169-F171 VanDerWaalsContact C-N 3.28Å; F171-F185 HydrophobicContact CD1-CD1 4.43Å; F171-F185 HydrophobicContact CD1-CE1 4.15Å; F171-F185 HydrophobicContact CE1-CD1 4.15Å; F171-F185 AromaticContact CE1-CE1 3.49Å; F171-F185 HydrophobicContact CE1-CE1 3.49Å; F171-F185 VanDerWaalsContact CE1-CE1 3.49Å; F171-F185 HydrophobicContact CE1-CZ 4.18Å; F171-F185 HydrophobicContact CZ-CE1 4.19Å
172V36.2Very low39.3Very low63 Ų6385.5 Ų85.538%0.38242%0.418SS..EExtended strand (participates in β ladder)trans-94.7-24.3-178.1177.90000112.1I184 E186V172-I184 HydrophobicContact CB-CB 4.39Å; V172-I184 HydrophobicContact CB-CG2 4.1Å; V172-I184 HydrophobicContact CG1-CG2 4.35Å; V172-I184 PolarHBondContact N-O 3.45Å; V172-E186 HydrophobicContact CG2-CB 3.83Å; V172-E186 HydrophobicContact CG2-CG 3.63Å
173R33.6Very low38Very low174 Ų17480.8 Ų80.866%0.65740%0.397SS*.EExtended strand (participates in β ladder)trans166.8148.1165.5-93.6147.1-162.6-158.22.7109.5F175 I184R173-F175 HydrophobicContact CB-CD2 3.91Å; R173-F175 HydrophobicContact CB-CE1 4.11Å; R173-F175 HydrophobicContact CB-CE2 3.21Å; R173-F175 HydrophobicContact CB-CZ 3.37Å; R173-F175 HydrophobicContact CG-CE1 4.35Å; R173-F175 HydrophobicContact CG-CE2 4.19Å; R173-F175 HydrophobicContact CG-CZ 3.83Å; R173-I184 PolarHBondContact O-N 3.34Å
174T33.8Very low37.1Very low44 Ų4481.2 Ų81.227%0.2740%0.401SS..EExtended strand (participates in β ladder)trans-95.1128.1160.9-58.30000107.7A153 I156 P181 V182A153-T174 HydrophobicContact CB-CG2 4.31Å; I156-T174 HydrophobicContact CB-CG2 4.33Å; I156-T174 HydrophobicContact CD1-CG2 3.95Å; I156-T174 HydrophobicContact CG2-CG2 3.81Å; T174-P181 HydrophobicContact CG2-CB 4.4Å; T174-V182 CarbonylContact C-O 3.59Å; T174-V182 VanDerWaalsContact CA-O 3.32Å; T174-V182 WeakPolarHBondContact CA-O 3.28Å
175F32.6Very low36.3Very low84 Ų8479.6 Ų79.637%0.36839%0.394SS..EExtended strand (participates in β ladder)trans-118.9150.2173.4-56.8-89.5000109.2R173 P181 V182 I184R173-F175 HydrophobicContact CB-CD2 3.91Å; R173-F175 HydrophobicContact CB-CE1 4.11Å; R173-F175 HydrophobicContact CB-CE2 3.21Å; R173-F175 HydrophobicContact CB-CZ 3.37Å; R173-F175 HydrophobicContact CG-CE1 4.35Å; R173-F175 HydrophobicContact CG-CE2 4.19Å; R173-F175 HydrophobicContact CG-CZ 3.83Å; F175-P181 CarbonylContact O-C 3.45Å; F175-P181 WeakPolarHBondContact O-CA 3.17Å; F175-V182 HydrophobicContact CB-CB 4.33Å; F175-V182 PolarHBondContact N-O 3.23Å; F175-V182 WeakPolarHBondContact O-CA 3.15Å; F175-V182 PolarHBondContact O-N 3.14Å; F175-I184 HydrophobicContact CD2-CD1 3.97Å; F175-I184 HydrophobicContact CD2-CG1 4.06Å; F175-I184 HydrophobicContact CE2-CD1 3.48Å; F175-I184 VanDerWaalsContact CE2-CD1 3.48Å; F175-I184 HydrophobicContact CE2-CG1 3.88Å; F175-I184 HydrophobicContact CZ-CD1 4.47Å
176M35.4Very low35.8Very low85 Ų8582.7 Ų82.742%0.41940%0.399SS..EExtended strand (participates in β ladder)trans-91.9131.2167.1-64-61.5-71.900107.9Y151 P181Y151-M176 WeakPolarHBondContact O-CE 3.32Å; Y151-M176 VanDerWaalsContact O-SD 3.32Å; M176-P181 HydrophobicContact SD-CB 4.08Å
177V34.4Very low35.2Very low36 Ų3677.7 Ų77.722%0.21839%0.386CS..EExtended strand (participates in β ladder)trans-118.1106.3161.2-170.90000108.7H179 F180 V182 F204V177-H179 PolarHBondContact O-N 2.8Å; V177-F180 PolarHBondContact N-O 3.29Å; V177-F180 WeakPolarHBondContact O-CB 3.2Å; V177-F180 PolarHBondContact O-N 3.1Å; V177-V182 HydrophobicContact CB-CG2 4.06Å; V177-V182 HydrophobicContact CG2-CG2 3.44Å; V177-V182 VanDerWaalsContact CG2-CG2 3.44Å; V177-F204 HydrophobicContact CB-CD1 4.41Å; V177-F204 HydrophobicContact CB-CD2 4.17Å; V177-F204 HydrophobicContact CB-CE1 3.8Å; V177-F204 HydrophobicContact CB-CE2 3.5Å; V177-F204 HydrophobicContact CB-CZ 3.29Å; V177-F204 HydrophobicContact CG1-CD1 3.46Å; V177-F204 VanDerWaalsContact CG1-CD1 3.46Å; V177-F204 HydrophobicContact CG1-CD2 3.4Å; V177-F204 HydrophobicContact CG1-CE1 3.34Å; V177-F204 HydrophobicContact CG1-CE2 3.26Å; V177-F204 HydrophobicContact CG1-CG 3.49Å; V177-F204 VanDerWaalsContact CG1-CG 3.49Å; V177-F204 HydrophobicContact CG1-CZ 3.23Å; V177-F204 HydrophobicContact CG2-CE1 3.84Å; V177-F204 HydrophobicContact CG2-CE2 4.36Å; V177-F204 HydrophobicContact CG2-CZ 3.64Å
178G37.2Very low34.9Very low41 Ų4179.7 Ų79.742%0.42339%0.388SS..THydrogen-bonded Turntrans56.4-126.2-162.400000110.4F180G178-F180 VanDerWaalsContact C-N 3.32Å
179H35.5Very low34.3Very low106 Ų10679.1 Ų79.149%0.49138%0.384SS..THydrogen-bonded Turntrans-872.1176.1-61.7-67.6000114V177V177-H179 PolarHBondContact O-N 2.8Å
180F33.8Very low34.2Very low52 Ų5272 Ų7223%0.22836%0.361CS..EExtended strand (participates in β ladder)trans-102.5124.3-173.3-63.1-78.8000111.6V177 G178 V182 C195 K203V177-F180 PolarHBondContact N-O 3.29Å; V177-F180 WeakPolarHBondContact O-CB 3.2Å; V177-F180 PolarHBondContact O-N 3.1Å; G178-F180 VanDerWaalsContact C-N 3.32Å; F180-V182 PolarHBondContact O-N 2.91Å; F180-C195 HydrophobicContact CZ-CB 4.28Å; F180-K203 HydrophobicContact CE2-CD 4.08Å
181P35.5Very low33.6Very low23 Ų2367 Ų6715%0.14934%0.343CS..EExtended strand (participates in β ladder)trans-77.7124.1171.631.7-36.3000113.1Y151 I156 T174 F175 M176Y151-P181 HydrophobicContact CD2-CG 4.01Å; Y151-P181 HydrophobicContact CG-CG 4.12Å; I156-P181 HydrophobicContact CD1-CB 2.94Å; I156-P181 HydrophobicContact CD1-CG 3.49Å; I156-P181 VanDerWaalsContact CD1-CG 3.49Å; I156-P181 HydrophobicContact CG1-CB 3.6Å; I156-P181 HydrophobicContact CG1-CG 3.69Å; I156-P181 HydrophobicContact CG2-CB 4.38Å; T174-P181 HydrophobicContact CG2-CB 4.4Å; F175-P181 CarbonylContact O-C 3.45Å; F175-P181 WeakPolarHBondContact O-CA 3.17Å; M176-P181 HydrophobicContact SD-CB 4.08Å
182V35.9Very low33.4Very low16 Ų1667 Ų6710%0.09734%0.344CS..EExtended strand (participates in β ladder)trans-97.3114.9172.6178.50000108.7T174 F175 V177 F180 I184 F193 F204T174-V182 CarbonylContact C-O 3.59Å; T174-V182 VanDerWaalsContact CA-O 3.32Å; T174-V182 WeakPolarHBondContact CA-O 3.28Å; F175-V182 HydrophobicContact CB-CB 4.33Å; F175-V182 PolarHBondContact N-O 3.23Å; F175-V182 WeakPolarHBondContact O-CA 3.15Å; F175-V182 PolarHBondContact O-N 3.14Å; V177-V182 HydrophobicContact CB-CG2 4.06Å; V177-V182 HydrophobicContact CG2-CG2 3.44Å; V177-V182 VanDerWaalsContact CG2-CG2 3.44Å; F180-V182 PolarHBondContact O-N 2.91Å; V182-I184 HydrophobicContact CG1-CG1 4.34Å; V182-F193 HydrophobicContact CB-CE1 4.39Å; V182-F193 HydrophobicContact CB-CZ 4.09Å; V182-F193 HydrophobicContact CG1-CZ 3.9Å; V182-F193 HydrophobicContact CG2-CE1 3.72Å; V182-F193 HydrophobicContact CG2-CZ 3.62Å; V182-F204 HydrophobicContact CG2-CZ 4.48Å
183R32.3Very low33.2Very low23 Ų2365.2 Ų65.29%0.08733%0.331CS..EExtended strand (participates in β ladder)trans-96118.2171-68.4-179.8177141.70.1109.8I156 F185 I191I156-R183 HydrophobicContact CG2-CG 3.59Å; I156-R183 VanDerWaalsContact CG2-CZ 3.47Å; I156-R183 PolarHBondContact O-NH2 3.27Å; R183-F185 HydrophobicContact CB-CD2 4.15Å; R183-F185 HydrophobicContact CB-CE2 3.62Å; R183-F185 HydrophobicContact CB-CZ 4.21Å; R183-F185 HydrophobicContact CG-CE2 4.46Å; R183-I191 WeakPolarHBondContact O-CD1 3.5Å; R183-I191 WeakPolarHBondContact O-CG1 3.41Å
184I34.9Very low33.1Very low67 Ų6766.2 Ų66.234%0.34434%0.335SS..EExtended strand (participates in β ladder)trans-91.2113.2168.2-53.4-169.5000108.9V172 R173 F175 V182V172-I184 HydrophobicContact CB-CB 4.39Å; V172-I184 HydrophobicContact CB-CG2 4.1Å; V172-I184 HydrophobicContact CG1-CG2 4.35Å; V172-I184 PolarHBondContact N-O 3.45Å; R173-I184 PolarHBondContact O-N 3.34Å; F175-I184 HydrophobicContact CD2-CD1 3.97Å; F175-I184 HydrophobicContact CD2-CG1 4.06Å; F175-I184 HydrophobicContact CE2-CD1 3.48Å; F175-I184 VanDerWaalsContact CE2-CD1 3.48Å; F175-I184 HydrophobicContact CE2-CG1 3.88Å; F175-I184 HydrophobicContact CZ-CD1 4.47Å; V182-I184 HydrophobicContact CG1-CG1 4.34Å
185F33.7Very low33.1Very low39 Ų3965.1 Ų65.117%0.17133%0.329CS..EExtended strand (participates in β ladder)trans-92.7141.4170.1-65.7-89.5000109.9V160 F171 R183 F189 I191V160-F185 HydrophobicContact CG1-CE1 4.02Å; V160-F185 HydrophobicContact CG1-CZ 4.14Å; V160-F185 HydrophobicContact CG2-CZ 4.42Å; F171-F185 HydrophobicContact CD1-CD1 4.43Å; F171-F185 HydrophobicContact CD1-CE1 4.15Å; F171-F185 HydrophobicContact CE1-CD1 4.15Å; F171-F185 AromaticContact CE1-CE1 3.49Å; F171-F185 HydrophobicContact CE1-CE1 3.49Å; F171-F185 VanDerWaalsContact CE1-CE1 3.49Å; F171-F185 HydrophobicContact CE1-CZ 4.18Å; F171-F185 HydrophobicContact CZ-CE1 4.19Å; R183-F185 HydrophobicContact CB-CD2 4.15Å; R183-F185 HydrophobicContact CB-CE2 3.62Å; R183-F185 HydrophobicContact CB-CZ 4.21Å; R183-F185 HydrophobicContact CG-CE2 4.46Å; F185-F189 HydrophobicContact CB-CB 3.77Å; F185-F189 HydrophobicContact CB-CD2 3.49Å; F185-F189 VanDerWaalsContact CB-CD2 3.49Å; F185-F189 HydrophobicContact CB-CE2 4.33Å; F185-F189 HydrophobicContact CB-CG 3.88Å; F185-F189 HydrophobicContact CD1-CD2 4.48Å; F185-F189 HydrophobicContact CD2-CB 4.46Å; F185-F189 HydrophobicContact CG-CB 4.23Å; F185-F189 HydrophobicContact CG-CD2 4.21Å; F185-F189 HydrophobicContact CG-CG 4.3Å; F185-I191 HydrophobicContact CD2-CG1 4.42Å
186E35.6Very low33.2Very low100 Ų10062.4 Ų62.447%0.46732%0.32SS..SBendtrans-61.2130.6169.5-130.9170.3-144.700109.3R170 V172 F189R170-E186 HydrophobicContact CB-CB 3.89Å; R170-E186 HydrophobicContact CG-CB 4.41Å; R170-E186 PolarHBondContact O-N 3.47Å; V172-E186 HydrophobicContact CG2-CB 3.83Å; V172-E186 HydrophobicContact CG2-CG 3.63Å; E186-F189 WeakPolarHBondContact O-CD2 3.46Å; E186-F189 VanDerWaalsContact O-CE2 3.29Å; E186-F189 WeakPolarHBondContact O-CE2 3.45Å
187P31.5Very low33.2Very low88 Ų8862.5 Ų62.557%0.57132%0.322SS*.SBendtrans-49.9146.8-173.3-25.631000113.6
188P30.6Very low33.1Very low105 Ų10563.5 Ų63.568%0.68233%0.334SS*.SBendcis-107.7101.81135.2-23000112.1
189F28.6Very low33.2Very low82 Ų8263.8 Ų63.836%0.3633%0.326SS..  trans-136.7143.5168.4-54.9-87.1000110.3F185 E186F185-F189 HydrophobicContact CB-CB 3.77Å; F185-F189 HydrophobicContact CB-CD2 3.49Å; F185-F189 VanDerWaalsContact CB-CD2 3.49Å; F185-F189 HydrophobicContact CB-CE2 4.33Å; F185-F189 HydrophobicContact CB-CG 3.88Å; F185-F189 HydrophobicContact CD1-CD2 4.48Å; F185-F189 HydrophobicContact CD2-CB 4.46Å; F185-F189 HydrophobicContact CG-CB 4.23Å; F185-F189 HydrophobicContact CG-CD2 4.21Å; F185-F189 HydrophobicContact CG-CG 4.3Å; E186-F189 WeakPolarHBondContact O-CD2 3.46Å; E186-F189 VanDerWaalsContact O-CE2 3.29Å; E186-F189 WeakPolarHBondContact O-CE2 3.45Å
190Q30.1Very low33.4Very low84 Ų8460.4 Ų60.439%0.39331%0.31SS..  trans-96133.4173.7-71.6178.4-49.500108.7H192 D283Q190-H192 WeakPolarHBondContact CB-NE2 3.25Å; Q190-D283 PolarHBondContact NE2-OD1 3.26Å
191I28.5Very low33.4Very low20 Ų2061.7 Ų61.710%0.10332%0.319CS..  trans-102.9112.3178.9-55.7154.8000106.7R183 F185 F193 F284R183-I191 WeakPolarHBondContact O-CD1 3.5Å; R183-I191 WeakPolarHBondContact O-CG1 3.41Å; F185-I191 HydrophobicContact CD2-CG1 4.42Å; I191-F193 HydrophobicContact CB-CE2 4.49Å; I191-F193 HydrophobicContact CG2-CD2 4.44Å; I191-F193 HydrophobicContact CG2-CE1 4.45Å; I191-F193 HydrophobicContact CG2-CE2 3.71Å; I191-F193 HydrophobicContact CG2-CZ 3.71Å; I191-F284 HydrophobicContact CB-CD2 4.11Å; I191-F284 HydrophobicContact CB-CE2 4.22Å; I191-F284 HydrophobicContact CD1-CD2 4.18Å
192H31.9Very low33.3Very low76 Ų7664.6 Ų64.635%0.35234%0.338SS..  trans-100.3129.2-177.5-64.7-90000110.2W134 Q190 W281W134-H192 AromaticContact CH2-NE2 3.98Å; W134-H192 AromaticContact CZ3-NE2 3.89Å; Q190-H192 WeakPolarHBondContact CB-NE2 3.25Å; H192-W281 AromaticContact CE1-CE3 3.83Å; H192-W281 AromaticContact CE1-CZ3 3.86Å; H192-W281 AromaticContact ND1-CE3 3.51Å; H192-W281 AromaticContact ND1-CZ3 3.65Å
193F31.4Very low33.3Very low24 Ų2467.1 Ų67.111%0.10535%0.348CS..  trans-107.6138.7173.1-64.1-82.8000110V182 I191 L282 F284V182-F193 HydrophobicContact CB-CE1 4.39Å; V182-F193 HydrophobicContact CB-CZ 4.09Å; V182-F193 HydrophobicContact CG1-CZ 3.9Å; V182-F193 HydrophobicContact CG2-CE1 3.72Å; V182-F193 HydrophobicContact CG2-CZ 3.62Å; I191-F193 HydrophobicContact CB-CE2 4.49Å; I191-F193 HydrophobicContact CG2-CD2 4.44Å; I191-F193 HydrophobicContact CG2-CE1 4.45Å; I191-F193 HydrophobicContact CG2-CE2 3.71Å; I191-F193 HydrophobicContact CG2-CZ 3.71Å; F193-L282 HydrophobicContact CB-CD1 4.33Å; F193-L282 HydrophobicContact CD2-CB 4.25Å; F193-L282 HydrophobicContact CD2-CD1 3.41Å; F193-L282 VanDerWaalsContact CD2-CD1 3.41Å; F193-L282 HydrophobicContact CD2-CG 4.43Å; F193-L282 HydrophobicContact CE2-CD1 4.06Å; F193-L282 HydrophobicContact CG-CD1 4.18Å; F193-F284 AromaticContact CE2-CE2 3.9Å; F193-F284 HydrophobicContact CE2-CE2 3.9Å; F193-F284 HydrophobicContact CE2-CZ 4.17Å
194R32.2Very low33.4Very low196 Ų19669 Ų6974%0.7436%0.357SS*.  trans-109.6104.8161.9-82.4-175.8163.7161.8-1.3107.7
195C34Very low33.2Very low21 Ų2171.7 Ų71.714%0.14237%0.371CS..  trans-142.3154.6168.860.90000108.8F180 D199F180-C195 HydrophobicContact CZ-CB 4.28Å; C195-D199 HydrophobicContact CB-CB 4.26Å
196S34.8Very low33Very low27 Ų2773.3 Ų73.319%0.18939%0.387CS..  trans-68.6152.9169.568.40000109.4A198 D199 F200 D277S196-A198 PolarHBondContact O-N 3.44Å; S196-D199 WeakPolarHBondContact O-CB 3.3Å; S196-D199 PolarHBondContact O-N 2.69Å; S196-D199 VanDerWaalsContact O-N 3.09Å; S196-D199 VanDerWaalsContact OG-CB 3.3Å; S196-D199 WeakPolarHBondContact OG-CB 3.47Å; S196-D199 PolarHBondContact OG-N 3.43Å; S196-F200 PolarHBondContact O-N 3.34Å; S196-D277 VanDerWaalsContact CB-OD2 3.25Å; S196-D277 WeakPolarHBondContact CB-OD2 3.08Å
197L35.7Very low32.7Very low86 Ų8670.2 Ų70.245%0.4538%0.379SS..Hα-helixtrans-59.2-37.1176.2-178.266000111.2F200 I201 M280L197-F200 PolarHBondContact O-N 3.32Å; L197-I201 HydrophobicContact CD1-CD1 4.09Å; L197-I201 HydrophobicContact CD1-CG1 4.41Å; L197-I201 HydrophobicContact CD2-CD1 4.46Å; L197-I201 HydrophobicContact CG-CD1 3.86Å; L197-I201 VanDerWaalsContact O-CG1 3.32Å; L197-I201 WeakPolarHBondContact O-CG1 3.27Å; L197-I201 PolarHBondContact O-N 2.81Å; L197-M280 HydrophobicContact CB-CE 4.32Å; L197-M280 HydrophobicContact CD1-CE 3.98Å
198A32.6Very low32.5Very low58 Ų5868.8 Ų68.848%0.47938%0.381SS..Hα-helixtrans-60.9-44.8173.400000111.5S196 F200 I201 C202S196-A198 PolarHBondContact O-N 3.44Å; A198-F200 PolarHBondContact O-N 2.71Å; A198-I201 PolarHBondContact O-N 3.44Å; A198-C202 WeakPolarHBondContact O-CB 3.44Å; A198-C202 PolarHBondContact O-N 3Å; A198-C202 PolarHBondContact O-SG 3.33Å; A198-C202 VanDerWaalsContact O-SG 3.38Å
199D38.5Very low32.3Very low47 Ų4770.5 Ų70.525%0.25138%0.384SS..Hα-helixtrans-63.8-38.8175.3-91.9-17.1000112.5C195 S196 K203C195-D199 HydrophobicContact CB-CB 4.26Å; S196-D199 WeakPolarHBondContact O-CB 3.3Å; S196-D199 PolarHBondContact O-N 2.69Å; S196-D199 VanDerWaalsContact O-N 3.09Å; S196-D199 VanDerWaalsContact OG-CB 3.3Å; S196-D199 WeakPolarHBondContact OG-CB 3.47Å; S196-D199 PolarHBondContact OG-N 3.43Å; D199-K203 HydrophobicContact CB-CD 4.3Å; D199-K203 VanDerWaalsContact CG-NZ 3.25Å; D199-K203 WeakPolarHBondContact O-CA 3.32Å; D199-K203 WeakPolarHBondContact O-CB 3.09Å; D199-K203 WeakPolarHBondContact O-CG 3.33Å; D199-K203 PolarHBondContact O-N 2.9Å; D199-K203 VanDerWaalsContact OD1-CE 3.27Å; D199-K203 WeakPolarHBondContact OD1-CE 3.1Å; D199-K203 IonicContact OD1-NZ 3.21Å; D199-K203 PolarHBondContact OD1-NZ 3.4Å; D199-K203 IonicContact OD2-NZ 3.9Å; D199-K203 PolarHBondContact OD2-NZ 3.19Å
200F38.7Very low32.1Very low35 Ų3571.8 Ų71.815%0.15440%0.399CS..Hα-helixtrans-64.8-48.8175.3-172.6-98000111.1S196 L197 A198 F204 L205 M280 L282S196-F200 PolarHBondContact O-N 3.34Å; L197-F200 PolarHBondContact O-N 3.32Å; A198-F200 PolarHBondContact O-N 2.71Å; F200-F204 HydrophobicContact CD2-CB 3.99Å; F200-F204 HydrophobicContact CD2-CD1 4.35Å; F200-F204 AromaticContact CD2-CD2 3.82Å; F200-F204 HydrophobicContact CD2-CD2 3.82Å; F200-F204 HydrophobicContact CD2-CE2 4.33Å; F200-F204 AromaticContact CD2-CG 3.84Å; F200-F204 HydrophobicContact CD2-CG 3.84Å; F200-F204 HydrophobicContact CE2-CB 3.97Å; F200-F204 AromaticContact CE2-CD1 3.71Å; F200-F204 HydrophobicContact CE2-CD1 3.71Å; F200-F204 HydrophobicContact CE2-CD2 4Å; F200-F204 HydrophobicContact CE2-CE1 4.09Å; F200-F204 HydrophobicContact CE2-CE2 4.37Å; F200-F204 AromaticContact CE2-CG 3.66Å; F200-F204 HydrophobicContact CE2-CG 3.66Å; F200-F204 HydrophobicContact CE2-CZ 4.4Å; F200-F204 HydrophobicContact CG-CB 4.31Å; F200-F204 HydrophobicContact CZ-CB 4.27Å; F200-F204 HydrophobicContact CZ-CD1 4.21Å; F200-F204 HydrophobicContact CZ-CG 4.32Å; F200-F204 WeakPolarHBondContact O-CA 3.44Å; F200-F204 WeakPolarHBondContact O-CB 3.12Å; F200-F204 PolarHBondContact O-N 3.21Å; F200-L205 PolarHBondContact O-N 3.18Å; F200-M280 HydrophobicContact CB-CE 3.76Å; F200-M280 HydrophobicContact CB-SD 4.41Å; F200-M280 HydrophobicContact CD2-SD 4.26Å; F200-M280 HydrophobicContact CG-CE 4.14Å; F200-M280 HydrophobicContact CG-SD 4.17Å; F200-L282 HydrophobicContact CE2-CD1 4.39Å
201I35.3Very low31.9Very low79 Ų7976 Ų7641%0.40542%0.416SS..Iπ-helixtrans-66.5-46.4-179.7-64.4169.6000110.7L197 A198 K203 L205 S206L197-I201 HydrophobicContact CD1-CD1 4.09Å; L197-I201 HydrophobicContact CD1-CG1 4.41Å; L197-I201 HydrophobicContact CD2-CD1 4.46Å; L197-I201 HydrophobicContact CG-CD1 3.86Å; L197-I201 VanDerWaalsContact O-CG1 3.32Å; L197-I201 WeakPolarHBondContact O-CG1 3.27Å; L197-I201 PolarHBondContact O-N 2.81Å; A198-I201 PolarHBondContact O-N 3.44Å; I201-K203 PolarHBondContact O-N 3.22Å; I201-L205 HydrophobicContact CB-CD1 4.44Å; I201-L205 HydrophobicContact CG1-CD1 4.18Å; I201-L205 HydrophobicContact CG2-CD1 4.3Å; I201-L205 WeakPolarHBondContact O-CB 3.38Å; I201-L205 PolarHBondContact O-N 3.22Å; I201-S206 PolarHBondContact O-N 3Å; I201-S206 PolarHBondContact O-OG 3.19Å
202C32.2Very low31.7Very low83 Ų8383.4 Ų83.456%0.56145%0.45SS*.Iπ-helixtrans-75.2-21.6-177.4-680000114.4A198 S206A198-C202 WeakPolarHBondContact O-CB 3.44Å; A198-C202 PolarHBondContact O-N 3Å; A198-C202 PolarHBondContact O-SG 3.33Å; A198-C202 VanDerWaalsContact O-SG 3.38Å; C202-S206 VanDerWaalsContact C-OG 3.27Å; C202-S206 VanDerWaalsContact CA-OG 3.25Å; C202-S206 WeakPolarHBondContact CA-OG 3.24Å; C202-S206 WeakPolarHBondContact O-CB 3.49Å; C202-S206 PolarHBondContact O-OG 2.76Å
203K36.5Very low31.3Very low69 Ų6984.1 Ų84.130%0.346%0.464SS..Iπ-helixtrans-114.9-28.7-178.7-58.5168.7173.2157.30113.9F180 D199 I201 A207F180-K203 HydrophobicContact CE2-CD 4.08Å; D199-K203 HydrophobicContact CB-CD 4.3Å; D199-K203 VanDerWaalsContact CG-NZ 3.25Å; D199-K203 WeakPolarHBondContact O-CA 3.32Å; D199-K203 WeakPolarHBondContact O-CB 3.09Å; D199-K203 WeakPolarHBondContact O-CG 3.33Å; D199-K203 PolarHBondContact O-N 2.9Å; D199-K203 VanDerWaalsContact OD1-CE 3.27Å; D199-K203 WeakPolarHBondContact OD1-CE 3.1Å; D199-K203 IonicContact OD1-NZ 3.21Å; D199-K203 PolarHBondContact OD1-NZ 3.4Å; D199-K203 IonicContact OD2-NZ 3.9Å; D199-K203 PolarHBondContact OD2-NZ 3.19Å; I201-K203 PolarHBondContact O-N 3.22Å; K203-A207 WeakPolarHBondContact O-CB 3.14Å
204F33.4Very low31.1Very low63 Ų6392.1 Ų92.128%0.27650%0.502SS..Iπ-helixtrans-92.5-43177-100.5-107.1000112.7V177 V182 F200V177-F204 HydrophobicContact CB-CD1 4.41Å; V177-F204 HydrophobicContact CB-CD2 4.17Å; V177-F204 HydrophobicContact CB-CE1 3.8Å; V177-F204 HydrophobicContact CB-CE2 3.5Å; V177-F204 HydrophobicContact CB-CZ 3.29Å; V177-F204 HydrophobicContact CG1-CD1 3.46Å; V177-F204 VanDerWaalsContact CG1-CD1 3.46Å; V177-F204 HydrophobicContact CG1-CD2 3.4Å; V177-F204 HydrophobicContact CG1-CE1 3.34Å; V177-F204 HydrophobicContact CG1-CE2 3.26Å; V177-F204 HydrophobicContact CG1-CG 3.49Å; V177-F204 VanDerWaalsContact CG1-CG 3.49Å; V177-F204 HydrophobicContact CG1-CZ 3.23Å; V177-F204 HydrophobicContact CG2-CE1 3.84Å; V177-F204 HydrophobicContact CG2-CE2 4.36Å; V177-F204 HydrophobicContact CG2-CZ 3.64Å; V182-F204 HydrophobicContact CG2-CZ 4.48Å; F200-F204 HydrophobicContact CD2-CB 3.99Å; F200-F204 HydrophobicContact CD2-CD1 4.35Å; F200-F204 AromaticContact CD2-CD2 3.82Å; F200-F204 HydrophobicContact CD2-CD2 3.82Å; F200-F204 HydrophobicContact CD2-CE2 4.33Å; F200-F204 AromaticContact CD2-CG 3.84Å; F200-F204 HydrophobicContact CD2-CG 3.84Å; F200-F204 HydrophobicContact CE2-CB 3.97Å; F200-F204 AromaticContact CE2-CD1 3.71Å; F200-F204 HydrophobicContact CE2-CD1 3.71Å; F200-F204 HydrophobicContact CE2-CD2 4Å; F200-F204 HydrophobicContact CE2-CE1 4.09Å; F200-F204 HydrophobicContact CE2-CE2 4.37Å; F200-F204 AromaticContact CE2-CG 3.66Å; F200-F204 HydrophobicContact CE2-CG 3.66Å; F200-F204 HydrophobicContact CE2-CZ 4.4Å; F200-F204 HydrophobicContact CG-CB 4.31Å; F200-F204 HydrophobicContact CZ-CB 4.27Å; F200-F204 HydrophobicContact CZ-CD1 4.21Å; F200-F204 HydrophobicContact CZ-CG 4.32Å; F200-F204 WeakPolarHBondContact O-CA 3.44Å; F200-F204 WeakPolarHBondContact O-CB 3.12Å; F200-F204 PolarHBondContact O-N 3.21Å
205L31Very low30.7Very low123 Ų12392.8 Ų92.864%0.64450%0.504SS*.Iπ-helixtrans-86.7-22.6-179.5-62.9172.8000112.8F200 I201F200-L205 PolarHBondContact O-N 3.18Å; I201-L205 HydrophobicContact CB-CD1 4.44Å; I201-L205 HydrophobicContact CG1-CD1 4.18Å; I201-L205 HydrophobicContact CG2-CD1 4.3Å; I201-L205 WeakPolarHBondContact O-CB 3.38Å; I201-L205 PolarHBondContact O-N 3.22Å
206S29.2Very low30.3Very low73 Ų7396.9 Ų96.951%0.5153%0.533SS..SBendtrans-88.3-17.1177.9-41.50000113.6I201 C202 G208I201-S206 PolarHBondContact O-N 3Å; I201-S206 PolarHBondContact O-OG 3.19Å; C202-S206 VanDerWaalsContact C-OG 3.27Å; C202-S206 VanDerWaalsContact CA-OG 3.25Å; C202-S206 WeakPolarHBondContact CA-OG 3.24Å; C202-S206 WeakPolarHBondContact O-CB 3.49Å; C202-S206 PolarHBondContact O-OG 2.76Å; S206-G208 PolarHBondContact O-N 2.71Å
207A29.1Very low29.9Very low35 Ų35101.3 Ų101.329%0.28956%0.559SS.*G310 helixtrans-79.912.4176.200000113.4K203 D209 T210K203-A207 WeakPolarHBondContact O-CB 3.14Å; A207-D209 PolarHBondContact O-N 3.39Å; A207-T210 PolarHBondContact O-N 2.81Å
208G27.4Very low29.5Very low59 Ų59105.8 Ų105.861%0.60858%0.58SS**G310 helixtrans-59.5-10.5175.200000115S206S206-G208 PolarHBondContact O-N 2.71Å
209D26.3Very low29.1Very low140 Ų140106.8 Ų106.875%0.74960%0.596SS**G310 helixtrans-108.83.1-175.3-74.7-27.1000115.3A207A207-D209 PolarHBondContact O-N 3.39Å
210T25.3Very low28.6Very low110 Ų110110.2 Ų110.268%0.67562%0.623SS**  trans-13758.3179.6410000113.9A207 Q212A207-T210 PolarHBondContact O-N 2.81Å; T210-Q212 PolarHBondContact O-N 3.05Å; T210-Q212 VanDerWaalsContact O-N 3.14Å
211F25.6Very low28Very low172 Ų172117.6 Ų117.675%0.75466%0.659SS**  trans-80.863.5156.9-94.5-89.7000110L341F211-L341 HydrophobicContact CE1-CD1 3.86Å; F211-L341 HydrophobicContact CZ-CD1 3.82Å
212Q24.1Very low27.8Very low176 Ų176119.4 Ų119.482%0.82268%0.678SS**  trans-96.9109.9165.8-74.2-161.3-1.100108.6T210 E214T210-Q212 PolarHBondContact O-N 3.05Å; T210-Q212 VanDerWaalsContact O-N 3.14Å; Q212-E214 PolarHBondContact O-N 3.33Å
213S24.9Very low27.7Very low91 Ų91121.6 Ų121.664%0.63669%0.691SS**  trans-65115.3173.671.70000109.1R215S213-R215 PolarHBondContact O-N 3.09Å
214E26.2Very low27.4Very low192 Ų192121.8 Ų121.890%0.89771%0.713SS**  trans-60.1103165.1-74.9-175.6158.900108.6Q212 S216Q212-E214 PolarHBondContact O-N 3.33Å; E214-S216 PolarHBondContact O-N 2.96Å; E214-S216 VanDerWaalsContact O-N 3.14Å
215R24.3Very low27.3Very low209 Ų209126.9 Ų126.979%0.78974%0.743SS**  trans-71.4102172.6-163.7-180-170-163.72.7106.8S213 T217S213-R215 PolarHBondContact O-N 3.09Å; R215-T217 VanDerWaalsContact C-N 3.27Å; R215-T217 PolarHBondContact O-N 3.31Å
216S26.2Very low27.4Very low108 Ų108125.9 Ų125.976%0.75575%0.752SS**  trans-65.789.8163.744.80000108.8E214 M218E214-S216 PolarHBondContact O-N 2.96Å; E214-S216 VanDerWaalsContact O-N 3.14Å; S216-M218 VanDerWaalsContact C-N 3.28Å; S216-M218 PolarHBondContact O-N 3.46Å
217T25.5Very low27.4Very low119 Ų119130.9 Ų130.973%0.7377%0.768SS**  trans-6789.4165.329.70000108.7R215R215-T217 VanDerWaalsContact C-N 3.27Å; R215-T217 PolarHBondContact O-N 3.31Å
218M26.4Very low27.8Very low180 Ų180136.5 Ų136.589%0.88779%0.793SS**  trans-68.3136.6155.8-73.9-156-163.200108.8S216S216-M218 VanDerWaalsContact C-N 3.28Å; S216-M218 PolarHBondContact O-N 3.46Å
219G24.1Very low28Very low80 Ų80141.2 Ų141.283%0.82580%0.804SS**  trans-65.1153.5-16800000115.7
220S29.5Very low28.2Very low118 Ų118139.2 Ų139.283%0.82581%0.807SS**  trans-139.9104.4147.759.70000107
221E26.1Very low28.4Very low191 Ų191140.3 Ų140.389%0.89381%0.813SS**  trans-60131.6164.3-63.4172.413000109.2
222S30.4Very low28.8Very low116 Ų116138 Ų13881%0.81181%0.813SS**  177.6150.4123.6-81.30000112.4
223P31.1Very low29Very low130 Ų130136.2 Ų136.284%0.84481%0.81SS**  trans-102.5161.8-15738.6-29.6000112.7
224G29.2Very low29.3Very low73 Ų73136 Ų13675%0.75381%0.808SS**  trans160.597.8165.600000115.5
225N31.4Very low29.5Very low170 Ų170137.2 Ų137.291%0.90981%0.811SS**  trans12.8128.1146.7-63.9-9.6000119.4
226A33.5Very low29.7Very low101 Ų101132.2 Ų132.284%0.83581%0.808SS**  -174.6137.4109.600000110.8
227E29.8Very low30Very low179 Ų179138.8 Ų138.884%0.83682%0.816SS**  trans-60152.4178.1-62.3155.2139.800113.2
228N36.1Very low30.2Very low153 Ų153137.4 Ų137.482%0.81881%0.812SS**  -179.9114.8122.2-89.2-24.7000112.6
229D31.3Very low30.7Very low158 Ų158137 Ų13785%0.84581%0.808SS**  trans18128.4137.9-79.7-30.8000120.7
230A32.2Very low31.1Very low97 Ų97144.3 Ų144.380%0.80281%0.81SS**  172.4133.191.600000111.6
231T29.1Very low31.1Very low133 Ų133142.7 Ų142.782%0.81681%0.812SS**  trans-74.4168.6177.140.80000113.4
232V32.5Very low31.6Very low123 Ų123138.2 Ų138.275%0.74581%0.807SS**  158.6112.9128.9166.90000114.1
233N28.5Very low31.8Very low140 Ų140143.6 Ų143.675%0.74981%0.81SS**  trans55.1114135.8-68-5.9000126.6
234S31.2Very low32Very low87 Ų87145.3 Ų145.361%0.60881%0.806SS**  34.9136.2113.766.50000122.9
235F32.1Very low32.2Very low216 Ų216148.3 Ų148.395%0.94781%0.805SS**  trans-153140.5137.5-105.3-79.1000113.1
236S28.2Very low32.5Very low105 Ų105145.9 Ų145.973%0.73480%0.802SS**  trans-115.3155.8-174.8-28.60000111.6
237R32.1Very low32.4Very low245 Ų245144.8 Ų144.893%0.92579%0.792SS**  trans152.6153.2149.1-96.6177.4156.6-175.7-5.9110
238S30.2Very low32.8Very low91 Ų91144 Ų14464%0.63679%0.794SS**  cis170.3160.5-14.9165.90000106.3
239E36.6Very low32.7Very low172 Ų172139.9 Ų139.980%0.80479%0.788SS**  trans100.7138.4162.2-59.4-169.2149.200117.6
240R32Very low32.9Very low233 Ų233140.1 Ų140.188%0.87979%0.789SS**  cis176136.1-28.3-120.9-177.4-171.1-170.43.6106.8
241G30.7Very low32.9Very low83 Ų83142.4 Ų142.486%0.85679%0.788SS**  trans80.2147.1153.800000117.4
242A34.7Very low33.2Very low97 Ų97146.2 Ų146.280%0.80279%0.793SS**  cis-162.4128.66.200000107.8
243R34.4Very low33Very low230 Ų230144.6 Ų144.687%0.86879%0.793SS**  59.3121.2100-74.6-168.2177.2-172.3-1.4119.2
244H36.5Very low33.1Very low166 Ų166141.6 Ų141.677%0.76980%0.795SS**  trans143.6109.6135.9-87-68.7000109.5
245D33.7Very low33Very low135 Ų135144.7 Ų144.772%0.72281%0.805SS**  86.9127.263.2-84.3-25.3000115.1
246S36.2Very low33.1Very low120 Ų120141.3 Ų141.384%0.83980%0.801SS**  trans81.3147.3157.2-20.30000117.5
247A33.2Very low33.1Very low77 Ų77141.1 Ų141.164%0.63680%0.798SS**  cis180165.2-16.700000106.2
248D37.1Very low33.1Very low163 Ų163135.8 Ų135.887%0.87279%0.792SS**  trans88.2122.6151.2-56.2-31.2000122.9
249G33.2Very low32.8Very low67 Ų67138.4 Ų138.469%0.69180%0.799SS**  trans84.6139.4138.400000117.1
250D35.6Very low32.5Very low163 Ų163135.7 Ų135.787%0.87280%0.799SS**  cis-167.2154.65.2-115.6-33.1000109.3
251N33.1Very low32.2Very low145 Ų145129.6 Ų129.678%0.77579%0.792SS**  trans-68.7149.8174.3-66.5-60.2000112.2
252F35.8Very low32Very low213 Ų213134.3 Ų134.393%0.93479%0.792SS**  trans-151.9110.8142.1-124.1-87.4000111.9
253A27.6Very low31.5Very low89 Ų89138.7 Ų138.774%0.73680%0.798SS**  trans-78.4145.916400000109.6
254G31.8Very low31.2Very low76 Ų76136.1 Ų136.178%0.78480%0.798SS**  trans-14593.6173.700000110.2
255D29.3Very low30.6Very low153 Ų153139.5 Ų139.582%0.81880%0.804SS**  trans-58.5135168.7-74.4-51.5000112
256V32.1Very low30.2Very low144 Ų144139.5 Ų139.587%0.87381%0.811SS**  trans-145.3107.3145.1-175.40000108.7
257P29.6Very low29.6Very low102 Ų102138 Ų13866%0.66281%0.806SS**  trans-91.3158.2157.335.1-27.1000109.7
258V30.8Very low29.2Very low132 Ų132139 Ų13980%0.882%0.815SS**  trans168.597.7140.6160.70000108.5
259D25.7Very low28.7Very low147 Ų147137.6 Ų137.679%0.78681%0.807SS**  26.1116122.2-145.95.1000118.3
260S28.9Very low28.3Very low114 Ų114144.3 Ų144.380%0.79782%0.82SS**  -171.9120.8129.517.90000112.5
261S25.2Very low27.8Very low106 Ų106147.2 Ų147.274%0.74182%0.819SS**  trans-32.7136.5163.757.50000117.1
262E28.2Very low27.4Very low181 Ų181144.6 Ų144.685%0.84682%0.817SS**  -156.2119.6123.5-122.6180171.200111.8M264E262-M264 PolarHBondContact O-N 2.8Å
263M24.2Very low27Very low189 Ų189146.5 Ų146.593%0.93182%0.818SS**  trans-69.5115.5172-65.5179.7-176.500109.7
264M27.1Very low26.9Very low176 Ų176152.8 Ų152.887%0.86782%0.823SS**  trans-143.3104.5156.9-82.2-143.6-179.900112.5E262E262-M264 PolarHBondContact O-N 2.8Å
265R25Very low26.8Very low237 Ų237154.4 Ų154.489%0.89482%0.82SS**  trans27.4130.2149.6-81.4177157.4146.5-4.8120.2A267R265-A267 PolarHBondContact O-N 2.82Å; R265-A267 VanDerWaalsContact O-N 3.08Å
266P24.7Very low26.7Very low135 Ų135152 Ų15288%0.87782%0.821SS**  trans-72.5106.6168.130.4-29.2000109.7A268P266-A268 PolarHBondContact O-N 2.85Å
267A23.7Very low26.7Very low89 Ų89150 Ų15074%0.73681%0.805SS**  trans-75.6114.9169.600000109.2R265 N269R265-A267 PolarHBondContact O-N 2.82Å; R265-A267 VanDerWaalsContact O-N 3.08Å; A267-N269 PolarHBondContact O-N 3.5Å
268A23.9Very low26.6Very low99 Ų99148.6 Ų148.682%0.81880%0.797SS**  trans-47.6107.9169.900000111.4P266P266-A268 PolarHBondContact O-N 2.85Å
269N26.9Very low26.5Very low132 Ų132144.5 Ų144.571%0.70677%0.772SS**  trans-153.352.9172.9-103.1-20.6000110.9A267 R271A267-N269 PolarHBondContact O-N 3.5Å; N269-R271 PolarHBondContact O-N 3.47Å
270E25Very low26.7Very low209 Ų209138.9 Ų138.998%0.97774%0.742SS**  trans-74.173.4157.6-84.8-176.5147.400109A272E270-A272 PolarHBondContact O-N 3.14Å
271R24.4Very low26.8Very low224 Ų224136.3 Ų136.385%0.84572%0.715SS**  trans-84.2104172.6-130174.7-173.3-179.92.9107.8N269 R273N269-R271 PolarHBondContact O-N 3.47Å; R271-R273 PolarHBondContact O-N 3.39Å
272A25.8Very low27Very low89 Ų89132 Ų13274%0.73668%0.683SS**  trans-20.7113175.400000115.2E270 R274E270-A272 PolarHBondContact O-N 3.14Å; A272-R274 PolarHBondContact O-N 3.45Å; A272-R274 VanDerWaalsContact O-N 3.1Å
273R26.9Very low27.1Very low254 Ų254124.1 Ų124.196%0.95865%0.647SS**  trans-51.2113.5168.2-70.6-179.4174.6-176.9-2.8109R271R271-R273 PolarHBondContact O-N 3.39Å
274R26.4Very low27.3Very low220 Ų220118.9 Ų118.983%0.8362%0.619SS**  trans-83.6134.6176.7-71177.6174.4159-3.3109A272 A276A272-R274 PolarHBondContact O-N 3.45Å; A272-R274 VanDerWaalsContact O-N 3.1Å; R274-A276 PolarHBondContact O-N 2.79Å
275P28.2Very low27.4Very low111 Ų111112.6 Ų112.672%0.72159%0.592SS**  trans-66.7128.6167.525.9-29.5000109.3
276A28.2Very low27.5Very low102 Ų102110.1 Ų110.184%0.84358%0.583SS**  trans-80.2-11.9-17600000113.8R274R274-A276 PolarHBondContact O-N 2.79Å
277D31.2Very low27.7Very low101 Ų101111 Ų11154%0.5457%0.569SS.*SBendtrans-104.7140.4-174.7-64.8-28.6000113.3S196S196-D277 VanDerWaalsContact CB-OD2 3.25Å; S196-D277 WeakPolarHBondContact CB-OD2 3.08Å
278P29.1Very low27.8Very low74 Ų74117.3 Ų117.348%0.48157%0.574SS.*PPolyproline II helixtrans-64.7139.3168.627-31.5000110.2M280P278-M280 PolarHBondContact O-N 3.41Å
279P28.9Very low28Very low45 Ų45114.6 Ų114.629%0.29255%0.549SS..PPolyproline II helixtrans-63.3131.9179.825.2-32.5000111.1W281P279-W281 HydrophobicContact CB-CZ2 4.36Å; P279-W281 HydrophobicContact CG-CZ2 3.99Å; P279-W281 PolarHBondContact O-NE1 3.18Å
280M29.4Very low28.1Very low30 Ų30113.9 Ų113.915%0.14855%0.554CS.*PPolyproline II helixtrans-76.9139.4167.6-162.6-174.1-55.300109.8L197 F200 P278L197-M280 HydrophobicContact CB-CE 4.32Å; L197-M280 HydrophobicContact CD1-CE 3.98Å; F200-M280 HydrophobicContact CB-CE 3.76Å; F200-M280 HydrophobicContact CB-SD 4.41Å; F200-M280 HydrophobicContact CD2-SD 4.26Å; F200-M280 HydrophobicContact CG-CE 4.14Å; F200-M280 HydrophobicContact CG-SD 4.17Å; P278-M280 PolarHBondContact O-N 3.41Å
281W30.2Very low28.2Very low60 Ų60108.7 Ų108.723%0.22754%0.537CS..  trans-118.5126.3179.1-55.882.5000109.7S84 H192 P279 Y306 F308S84-W281 VanDerWaalsContact OG-CZ2 3.28Å; S84-W281 WeakPolarHBondContact OG-CZ2 3.48Å; H192-W281 AromaticContact CE1-CE3 3.83Å; H192-W281 AromaticContact CE1-CZ3 3.86Å; H192-W281 AromaticContact ND1-CE3 3.51Å; H192-W281 AromaticContact ND1-CZ3 3.65Å; P279-W281 HydrophobicContact CB-CZ2 4.36Å; P279-W281 HydrophobicContact CG-CZ2 3.99Å; P279-W281 PolarHBondContact O-NE1 3.18Å; W281-Y306 HydrophobicContact CB-CD2 3.72Å; W281-Y306 HydrophobicContact CB-CE2 4.17Å; W281-Y306 HydrophobicContact CG-CD2 4.24Å; W281-F308 AromaticContact CD1-CE2 3.87Å; W281-F308 AromaticContact NE1-CD2 3.83Å; W281-F308 AromaticContact NE1-CE2 3.47Å
282L29.6Very low28.3Very low14 Ų14104.7 Ų104.77%0.07354%0.537CS..  trans-115.5120.7174.8-75.6161.1000108.4F193 F200 F284 F303F193-L282 HydrophobicContact CB-CD1 4.33Å; F193-L282 HydrophobicContact CD2-CB 4.25Å; F193-L282 HydrophobicContact CD2-CD1 3.41Å; F193-L282 VanDerWaalsContact CD2-CD1 3.41Å; F193-L282 HydrophobicContact CD2-CG 4.43Å; F193-L282 HydrophobicContact CE2-CD1 4.06Å; F193-L282 HydrophobicContact CG-CD1 4.18Å; F200-L282 HydrophobicContact CE2-CD1 4.39Å; L282-F284 HydrophobicContact CB-CE2 3.84Å; L282-F284 HydrophobicContact CB-CZ 4.31Å; L282-F303 HydrophobicContact CD2-CD1 3.8Å; L282-F303 HydrophobicContact CD2-CE1 4.4Å
283D31.2Very low28.5Very low17 Ų17105.5 Ų105.59%0.09153%0.529CS..  trans-108.4111.6176.5-177.745.8000111Q190 S285 N302 Y304Q190-D283 PolarHBondContact NE2-OD1 3.26Å; D283-S285 PolarHBondContact O-N 3.03Å; D283-S285 PolarHBondContact OD2-OG 3.49Å; D283-N302 VanDerWaalsContact O-O 3.13Å; D283-Y304 HydrophobicContact CB-CD2 3.82Å; D283-Y304 HydrophobicContact CB-CE2 4.23Å
284F28.4Very low28.5Very low79 Ų79105.1 Ų105.135%0.34653%0.528SS..  trans-90.474.3178.8-65.1-87.1000110.9I191 F193 L282 R286 V301I191-F284 HydrophobicContact CB-CD2 4.11Å; I191-F284 HydrophobicContact CB-CE2 4.22Å; I191-F284 HydrophobicContact CD1-CD2 4.18Å; F193-F284 AromaticContact CE2-CE2 3.9Å; F193-F284 HydrophobicContact CE2-CE2 3.9Å; F193-F284 HydrophobicContact CE2-CZ 4.17Å; L282-F284 HydrophobicContact CB-CE2 3.84Å; L282-F284 HydrophobicContact CB-CZ 4.31Å; F284-R286 PolarHBondContact O-N 2.89Å; F284-V301 HydrophobicContact CD1-CG1 3.93Å; F284-V301 HydrophobicContact CE1-CG1 4.05Å
285S27.9Very low28.6Very low43 Ų4399 Ų9930%0.30152%0.519SS..  trans-86.899.8175.2-790000111.3D283 R287D283-S285 PolarHBondContact O-N 3.03Å; D283-S285 PolarHBondContact OD2-OG 3.49Å; S285-R287 PolarHBondContact O-N 3.03Å
286R27.7Very low28.7Very low186 Ų18695.8 Ų95.870%0.70250%0.499SS*.  trans-70.286.2173.4-165.4-179.2-171.2-173.46110.5F284 R288F284-R286 PolarHBondContact O-N 2.89Å; R286-R288 PolarHBondContact O-N 3.18Å
287R27.8Very low28.6Very low152 Ų15293.4 Ų93.457%0.57448%0.484SS*.  trans-73107.3167-78.3-172.1174.3-164.2-1.1109.1S285 S289S285-R287 PolarHBondContact O-N 3.03Å; R287-S289 PolarHBondContact O-N 2.77Å
288R26.6Very low28.4Very low223 Ų22395.6 Ų95.684%0.84249%0.485SS*.  trans-62.4105.2157.2-87.2-174172.4-169.5-0.7106.8R286 S290R286-R288 PolarHBondContact O-N 3.18Å; R288-S290 PolarHBondContact O-N 3.29Å
289S28.1Very low28.4Very low41 Ų4193.2 Ų93.229%0.28747%0.473SS..  trans-60.3121.6170.155.20000107.9R287 T291R287-S289 PolarHBondContact O-N 2.77Å; S289-T291 PolarHBondContact O-N 3.48Å
290S28.8Very low28.4Very low118 Ų11895.7 Ų95.783%0.82548%0.477SS*.  trans-71.315.2-178.6630000113.9R288 T292R288-S290 PolarHBondContact O-N 3.29Å; S290-T292 PolarHBondContact O-N 3.49Å
291T27.8Very low28.5Very low100 Ų10096.6 Ų96.661%0.61348%0.484SS*.SBendtrans-87.4107.417245.50000108.1S289 D293S289-T291 PolarHBondContact O-N 3.48Å; T291-D293 PolarHBondContact O-N 3.14Å
292T26.5Very low28.5Very low139 Ų13995.5 Ų95.585%0.85348%0.483SS*.  trans-35.190.3164.642.60000113.1S290S290-T292 PolarHBondContact O-N 3.49Å
293D29.2Very low28.5Very low106 Ų10697.7 Ų97.757%0.56749%0.492SS*.  trans-145.990.6155-138.6-7.7000108.4T291 S295T291-D293 PolarHBondContact O-N 3.14Å; D293-S295 PolarHBondContact O-N 3.37Å; D293-S295 PolarHBondContact OD1-OG 3.04Å
294R27.8Very low28.5Very low246 Ų24698.6 Ų98.693%0.92849%0.494SS*.THydrogen-bonded Turntrans-74.64-171.3-88.6178.4162169.5-5.8113.5
295S28.4Very low28.4Very low93 Ų9399.1 Ų99.165%0.6549%0.494SS*.THydrogen-bonded Turntrans-112.4-9.9-170.853.30000114.5D293D293-S295 PolarHBondContact O-N 3.37Å; D293-S295 PolarHBondContact OD1-OG 3.04Å
296S29.2Very low28.4Very low43 Ų4398.4 Ų98.430%0.30149%0.485SS..SBendtrans-122.1122.5175.1640000109.9R298S296-R298 PolarHBondContact O-N 3.48Å
297G26.9Very low28.4Very low51 Ų5194 Ų9453%0.52647%0.472SS..  trans-70.747.417800000113.2G299G297-G299 PolarHBondContact O-N 2.91Å
298R27.4Very low28.3Very low148 Ų14889.7 Ų89.756%0.55846%0.458SS*.  trans-69.999.2-179.1-74.1-179.8172.2177.2-2.7110S296 E327S296-R298 PolarHBondContact O-N 3.48Å; R298-E327 IonicContact CZ-OE1 3.96Å; R298-E327 IonicContact NE-OE1 3.94Å; R298-E327 IonicContact NH2-OE1 3.71Å; R298-E327 PolarHBondContact NH2-OE1 3.31Å
299G29.4Very low28.3Very low23 Ų2386.1 Ų86.124%0.23745%0.45CS..  trans-91.5136.3166.600000110.2G297G297-G299 PolarHBondContact O-N 2.91Å
300R29.1Very low28.1Very low97 Ų9795.3 Ų95.337%0.36648%0.479SS..EExtended strand (participates in β ladder)trans-99135.8173.7-64.1-177.6-175.9-173.4-0.1109.8
301V30Very low27.9Very low50 Ų5093.2 Ų93.230%0.30346%0.464SS..EExtended strand (participates in β ladder)trans-116.1120.6170.4-177.60000107F284 F303F284-V301 HydrophobicContact CD1-CG1 3.93Å; F284-V301 HydrophobicContact CE1-CG1 4.05Å; V301-F303 HydrophobicContact CB-CE2 4.27Å; V301-F303 HydrophobicContact CG1-CD2 4.49Å; V301-F303 HydrophobicContact CG1-CE2 3.8Å; V301-F303 HydrophobicContact CG1-CZ 3.87Å
302N31.3Very low27.8Very low37 Ų3794.1 Ų94.120%0.19847%0.47CS..EExtended strand (participates in β ladder)trans-96.9136.8175.7-67.7-21.5000108.9D283 Y304D283-N302 VanDerWaalsContact O-O 3.13Å; N302-Y304 HydrophobicContact CB-CD2 4.37Å; N302-Y304 HydrophobicContact CB-CE2 3.67Å; N302-Y304 PolarHBondContact ND2-OH 3.38Å
303F29.8Very low27.7Very low60 Ų6097.1 Ų97.126%0.26347%0.474SS..EExtended strand (participates in β ladder)trans-106.1128171.3-61.9-95.6000108.4L282 V301 H322 V324L282-F303 HydrophobicContact CD2-CD1 3.8Å; L282-F303 HydrophobicContact CD2-CE1 4.4Å; V301-F303 HydrophobicContact CB-CE2 4.27Å; V301-F303 HydrophobicContact CG1-CD2 4.49Å; V301-F303 HydrophobicContact CG1-CE2 3.8Å; V301-F303 HydrophobicContact CG1-CZ 3.87Å; F303-H322 HydrophobicContact CB-CB 4.32Å; F303-H322 PolarHBondContact N-O 3.37Å; F303-H322 PolarHBondContact O-N 2.81Å; F303-V324 HydrophobicContact CD2-CB 4.13Å; F303-V324 HydrophobicContact CD2-CG2 3.74Å; F303-V324 HydrophobicContact CE2-CB 3.68Å; F303-V324 HydrophobicContact CE2-CG2 3.62Å
304Y30.1Very low27.4Very low35 Ų3598.6 Ų98.614%0.13748%0.482CS..EExtended strand (participates in β ladder)trans-114.6123.3175.3-64.9-86.4000108.4L79 D283 N302 Y306 T319L79-Y304 HydrophobicContact CD1-CE1 4.42Å; L79-Y304 HydrophobicContact CD1-CE2 4.31Å; L79-Y304 HydrophobicContact CD2-CD1 4.15Å; L79-Y304 HydrophobicContact CD2-CE1 3.82Å; D283-Y304 HydrophobicContact CB-CD2 3.82Å; D283-Y304 HydrophobicContact CB-CE2 4.23Å; N302-Y304 HydrophobicContact CB-CD2 4.37Å; N302-Y304 HydrophobicContact CB-CE2 3.67Å; N302-Y304 PolarHBondContact ND2-OH 3.38Å; Y304-Y306 HydrophobicContact CG-CE2 4.44Å; Y304-T319 HydrophobicContact CD1-CG2 4.34Å
305W27.5Very low27.1Very low90 Ų9091 Ų9134%0.34147%0.471SS..EExtended strand (participates in β ladder)trans-97.7126.5169.2-1729.7000108.7H307 L320W305-H307 AromaticContact CE2-CD2 3.88Å; W305-H307 AromaticContact CZ2-CD2 3.67Å; W305-H307 AromaticContact NE1-CD2 3.91Å; W305-L320 HydrophobicContact CB-CB 3.95Å; W305-L320 WeakPolarHBondContact CB-O 3.25Å; W305-L320 HydrophobicContact CD2-CB 4.26Å; W305-L320 HydrophobicContact CD2-CD1 4.25Å; W305-L320 HydrophobicContact CE3-CB 3.6Å; W305-L320 HydrophobicContact CE3-CD1 3.28Å; W305-L320 HydrophobicContact CE3-CG 4.02Å; W305-L320 HydrophobicContact CG-CB 4.47Å; W305-L320 HydrophobicContact CH2-CD1 4.24Å; W305-L320 HydrophobicContact CZ3-CB 4.45Å; W305-L320 HydrophobicContact CZ3-CD1 3.29Å; W305-L320 HydrophobicContact CZ3-CG 4.41Å; W305-L320 PolarHBondContact N-O 3.3Å; W305-L320 VanDerWaalsContact N-O 3.14Å
306Y27.8Very low26.9Very low28 Ų2891.6 Ų91.611%0.1147%0.471CS..EExtended strand (participates in β ladder)trans-113.2116.9172.1-63.6-90.1000109.1L79 I81 W281 Y304 F308L79-Y306 WeakPolarHBondContact CD2-OH 3.26Å; I81-Y306 HydrophobicContact CB-CE1 4.26Å; I81-Y306 HydrophobicContact CD1-CE1 3.68Å; I81-Y306 HydrophobicContact CG1-CE1 3.72Å; I81-Y306 HydrophobicContact CG2-CD1 4.04Å; I81-Y306 HydrophobicContact CG2-CE1 3.5Å; I81-Y306 VanDerWaalsContact CG2-CE1 3.5Å; W281-Y306 HydrophobicContact CB-CD2 3.72Å; W281-Y306 HydrophobicContact CB-CE2 4.17Å; W281-Y306 HydrophobicContact CG-CD2 4.24Å; Y304-Y306 HydrophobicContact CG-CE2 4.44Å; Y306-F308 HydrophobicContact CG-CE2 4.39Å
307H27.2Very low26.7Very low95 Ų9593.3 Ų93.344%0.4448%0.48SS..  trans-91.9106.8170-134.1-79.5000108.4W305 Q309W305-H307 AromaticContact CE2-CD2 3.88Å; W305-H307 AromaticContact CZ2-CD2 3.67Å; W305-H307 AromaticContact NE1-CD2 3.91Å; H307-Q309 PolarHBondContact O-N 3.38Å
308F25.9Very low26.7Very low60 Ų6096.1 Ų96.126%0.26348%0.483SS..  trans-94.290.1170.5-75.1-83.2000108.4W281 Y306 R310W281-F308 AromaticContact CD1-CE2 3.87Å; W281-F308 AromaticContact NE1-CD2 3.83Å; W281-F308 AromaticContact NE1-CE2 3.47Å; Y306-F308 HydrophobicContact CG-CE2 4.39Å; F308-R310 PolarHBondContact O-N 2.8Å
309Q25.9Very low26.7Very low148 Ų14892.4 Ų92.469%0.69248%0.477SS*.  trans-71.7125.8167-95.6-176.9-18.600109.2H307 S311H307-Q309 PolarHBondContact O-N 3.38Å; Q309-S311 PolarHBondContact O-N 2.97Å
310R24.5Very low26.6Very low235 Ų23595.4 Ų95.489%0.88749%0.487SS*.  trans-87.420-171.8-135-178.3-171.6177.75.7113.7F308F308-R310 PolarHBondContact O-N 2.8Å
311S24.8Very low26.5Very low73 Ų7395 Ų9551%0.5150%0.498SS..SBendtrans-112.2121.3-178.454.30000110.2Q309Q309-S311 PolarHBondContact O-N 2.97Å
312T25Very low26.4Very low119 Ų11998 Ų9873%0.7351%0.509SS*.SBendtrans59.892.2154.6580000117.2D314T312-D314 PolarHBondContact O-N 3.01Å
313Q23.8Very low26.2Very low202 Ų202101.3 Ų101.394%0.94452%0.519SS*.SBendtrans50.4-9.7146.3-82.5176.9-2600121.9
314D23.1Very low26.1Very low137 Ų137100.4 Ų100.473%0.73352%0.518SS*.  trans-131.295.6-179-70.9-40.9000108.9T312 V316T312-D314 PolarHBondContact O-N 3.01Å; D314-V316 PolarHBondContact O-N 3.31Å
315A23.1Very low26.1Very low86 Ų86100.9 Ų100.971%0.71152%0.523SS*.  trans-69.793.3174.700000109.7V317A315-V317 PolarHBondContact O-N 3.24Å
316V23.6Very low26.1Very low107 Ų10799.6 Ų99.665%0.64852%0.518SS*.  trans-71.3108.9165.5-178.90000107.7D314 D318D314-V316 PolarHBondContact O-N 3.31Å; V316-D318 PolarHBondContact O-N 3.41Å; V316-D318 VanDerWaalsContact O-N 3.16Å
317V25.6Very low26.1Very low79 Ų79102 Ų10248%0.47953%0.531SS..  trans-81.786.3174.9-177.50000108.4I81 A315 T319I81-V317 HydrophobicContact CD1-CG1 4.16Å; A315-V317 PolarHBondContact O-N 3.24Å; V317-T319 PolarHBondContact O-N 3.02Å
318D26.7Very low26.3Very low110 Ų110101.5 Ų101.559%0.58853%0.528SS*.  trans-75.7106.5166-87.7-20.6000109.2V316V316-D318 PolarHBondContact O-N 3.41Å; V316-D318 VanDerWaalsContact O-N 3.16Å
319T27.3Very low26.4Very low70 Ų70107.8 Ų107.843%0.42955%0.55SS.*EExtended strand (participates in β ladder)trans-9494178.2-43.50000108.8Y304 V317 S321Y304-T319 HydrophobicContact CD1-CG2 4.34Å; V317-T319 PolarHBondContact O-N 3.02Å; T319-S321 PolarHBondContact O-N 2.07Å
320L26Very low26.5Very low86 Ų86103.6 Ų103.645%0.4554%0.541SS..EExtended strand (participates in β ladder)trans-82.796.8165.5-88.4156.8000108.4W305 H322W305-L320 HydrophobicContact CB-CB 3.95Å; W305-L320 WeakPolarHBondContact CB-O 3.25Å; W305-L320 HydrophobicContact CD2-CB 4.26Å; W305-L320 HydrophobicContact CD2-CD1 4.25Å; W305-L320 HydrophobicContact CE3-CB 3.6Å; W305-L320 HydrophobicContact CE3-CD1 3.28Å; W305-L320 HydrophobicContact CE3-CG 4.02Å; W305-L320 HydrophobicContact CG-CB 4.47Å; W305-L320 HydrophobicContact CH2-CD1 4.24Å; W305-L320 HydrophobicContact CZ3-CB 4.45Å; W305-L320 HydrophobicContact CZ3-CD1 3.29Å; W305-L320 HydrophobicContact CZ3-CG 4.41Å; W305-L320 PolarHBondContact N-O 3.3Å; W305-L320 VanDerWaalsContact N-O 3.14Å; L320-H322 PolarHBondContact O-N 3.03Å
321S27.3Very low26.6Very low87 Ų8798.8 Ų98.861%0.60853%0.533SS*.EExtended strand (participates in β ladder)trans-85.3104.8172.858.30000109.7T319T319-S321 PolarHBondContact O-N 2.07Å
322H28.9Very low26.9Very low113 Ų113103.9 Ų103.952%0.52355%0.554SS.*EExtended strand (participates in β ladder)trans-88.6122.6167.8-77.2-69.2000109.6F303 L320F303-H322 HydrophobicContact CB-CB 4.32Å; F303-H322 PolarHBondContact N-O 3.37Å; F303-H322 PolarHBondContact O-N 2.81Å; L320-H322 PolarHBondContact O-N 3.03Å
323R27Very low27Very low107 Ų107102.6 Ų102.640%0.40455%0.55SS.*EExtended strand (participates in β ladder)trans-94.5120.2178.1-171.1176.1173.5-172-6.5109.2D325 D348R323-D325 IonicContact NE-OD2 3.74Å; R323-D325 IonicContact NH2-OD2 3.72Å; R323-D348 IonicContact CZ-OD1 3.22Å; R323-D348 IonicContact NH1-OD1 3.93Å; R323-D348 PolarHBondContact NH1-OD1 2.79Å; R323-D348 IonicContact NH1-OD2 2.83Å
324V28.1Very low27Very low42 Ų4298.3 Ų98.326%0.25554%0.54SS..EExtended strand (participates in β ladder)trans-125.5111.8173.6-174.10000107.9F303 I343F303-V324 HydrophobicContact CD2-CB 4.13Å; F303-V324 HydrophobicContact CD2-CG2 3.74Å; F303-V324 HydrophobicContact CE2-CB 3.68Å; F303-V324 HydrophobicContact CE2-CG2 3.62Å; V324-I343 HydrophobicContact CG1-CG2 3.84Å
325D28.8Very low27Very low44 Ų4498.3 Ų98.324%0.23555%0.545CS..EExtended strand (participates in β ladder)trans-86.7124.5173.5-76.7-27.5000108.8R323 I346R323-D325 IonicContact NE-OD2 3.74Å; R323-D325 IonicContact NH2-OD2 3.72Å; D325-I346 HydrophobicContact CB-CD1 4.27Å; D325-I346 WeakPolarHBondContact OD2-CD1 3.25Å
326Y28.6Very low27.1Very low63 Ų6399.4 Ų99.425%0.24754%0.543CS..EExtended strand (participates in β ladder)trans-100.5131.7173173.3-110.4000110.2H328 L341Y326-H328 HydrophobicContact CD1-CB 4.46Å; Y326-H328 HydrophobicContact CE1-CB 3.74Å; Y326-H328 AromaticContact CE1-CD2 3.94Å; Y326-L341 HydrophobicContact CD2-CD2 3.47Å; Y326-L341 VanDerWaalsContact CD2-CD2 3.47Å; Y326-L341 HydrophobicContact CD2-CG 4.23Å; Y326-L341 HydrophobicContact CE2-CB 4.01Å; Y326-L341 HydrophobicContact CE2-CD2 3.11Å; Y326-L341 HydrophobicContact CE2-CG 3.42Å; Y326-L341 VanDerWaalsContact CE2-CG 3.42Å; Y326-L341 HydrophobicContact CG-CD2 4.38Å
327E27.6Very low27.1Very low79 Ų7998.9 Ų98.937%0.36954%0.544SS..  trans-109.1100.5179.7-153.6165.4-145.100110.2R298 R329 R344R298-E327 IonicContact CZ-OE1 3.96Å; R298-E327 IonicContact NE-OE1 3.94Å; R298-E327 IonicContact NH2-OE1 3.71Å; R298-E327 PolarHBondContact NH2-OE1 3.31Å; E327-R329 PolarHBondContact O-N 3.07Å; E327-R344 IonicContact OE2-NH1 3.68Å
328H30.8Very low27Very low84 Ų84100 Ų10039%0.38956%0.555SS.*  trans-80.7113.7169.7-156.6-49.7000108.6Y326 A330 E339Y326-H328 HydrophobicContact CD1-CB 4.46Å; Y326-H328 HydrophobicContact CE1-CB 3.74Å; Y326-H328 AromaticContact CE1-CD2 3.94Å; H328-A330 PolarHBondContact O-N 3.22Å; H328-E339 IonicContact CE1-OE2 2.71Å; H328-E339 PolarHBondContact CE1-OE2 3.01Å; H328-E339 VanDerWaalsContact CE1-OE2 3.22Å; H328-E339 IonicContact NE2-OE2 3.32Å
329R28.5Very low26.8Very low193 Ų19399.9 Ų99.973%0.72855%0.551SS**  trans-7199.2170.4-83.8-175.1174.3172.70.2108.9E327 N331E327-R329 PolarHBondContact O-N 3.07Å; R329-N331 PolarHBondContact O-N 2.97Å
330A26.8Very low26.6Very low60 Ų60103.9 Ų103.950%0.49657%0.565SS.*  trans-86.884.8168.600000108.9H328H328-A330 PolarHBondContact O-N 3.22Å
331N28.5Very low26.6Very low134 Ų134104 Ų10472%0.71757%0.565SS**  trans-107.1136.4161-82.7-13.6000107.6R329 S333R329-N331 PolarHBondContact O-N 2.97Å; N331-S333 PolarHBondContact O-N 3.46Å
332N30.9Very low26.5Very low179 Ų179104.9 Ų104.996%0.95756%0.558SS**SBendtrans-63.540.7-173.4-68.2-37.4000115.6
333S26.4Very low26.3Very low92 Ų92105.8 Ų105.864%0.64357%0.566SS**SBendtrans-95.7141.4174.4-74.20000110.3N331 V335N331-S333 PolarHBondContact O-N 3.46Å; S333-V335 PolarHBondContact O-N 2.67Å
334P23.8Very low26.2Very low112 Ų112108.8 Ų108.873%0.72758%0.577SS**  trans-56133.217423.5-31.5000109.6T336P334-T336 PolarHBondContact O-N 2.89Å
335V24.1Very low26Very low138 Ų138116.4 Ų116.484%0.83660%0.601SS**  trans-56.891.2-176.1-178.70000110S333S333-V335 PolarHBondContact O-N 2.67Å
336T23.6Very low25.8Very low108 Ų108118.2 Ų118.266%0.66361%0.61SS**  trans-89127.2166.2500000108P334 S338P334-T336 PolarHBondContact O-N 2.89Å; T336-S338 PolarHBondContact O-N 3.22Å
337S23.8Very low25.7Very low96 Ų96121.8 Ų121.867%0.67163%0.634SS**SBendtrans-51.984.6-177.454.40000113.9
338S22.8Very low25.7Very low103 Ų103122.9 Ų122.972%0.7264%0.642SS**  trans173.278.5159.659.90000109.1T336T336-S338 PolarHBondContact O-N 3.22Å
339E23.3Very low25.4Very low108 Ų108128.8 Ų128.851%0.50567%0.666SS.*  trans-105102.6167.7-76.2-169.1155.600108.8H328H328-E339 IonicContact CE1-OE2 2.71Å; H328-E339 PolarHBondContact CE1-OE2 3.01Å; H328-E339 VanDerWaalsContact CE1-OE2 3.22Å; H328-E339 IonicContact NE2-OE2 3.32Å
340E24Very low25.3Very low154 Ų154124 Ų12472%0.7267%0.668SS**  trans-61.5129.3172.8-72.1176.4152.100110.5F342E340-F342 HydrophobicContact CB-CE2 4.08Å; E340-F342 PolarHBondContact O-N 3.38Å
341L25.2Very low25.3Very low88 Ų88125.8 Ų125.846%0.46168%0.683SS.*  trans-77.9112.7170.1-92.3119.6000109.7F211 Y326F211-L341 HydrophobicContact CE1-CD1 3.86Å; F211-L341 HydrophobicContact CZ-CD1 3.82Å; Y326-L341 HydrophobicContact CD2-CD2 3.47Å; Y326-L341 VanDerWaalsContact CD2-CD2 3.47Å; Y326-L341 HydrophobicContact CD2-CG 4.23Å; Y326-L341 HydrophobicContact CE2-CB 4.01Å; Y326-L341 HydrophobicContact CE2-CD2 3.11Å; Y326-L341 HydrophobicContact CE2-CG 3.42Å; Y326-L341 VanDerWaalsContact CE2-CG 3.42Å; Y326-L341 HydrophobicContact CG-CD2 4.38Å
342F24.4Very low25.3Very low105 Ų105128.2 Ų128.246%0.46169%0.69SS.*  trans-87.1120.7169.6-71.7-88000110.4E340E340-F342 HydrophobicContact CB-CE2 4.08Å; E340-F342 PolarHBondContact O-N 3.38Å
343I25.4Very low25.1Very low133 Ų133125.7 Ų125.768%0.68268%0.683SS**EExtended strand (participates in β ladder)trans-100.1112.5171.7-59.4175.1000107.6V324V324-I343 HydrophobicContact CG1-CG2 3.84Å
344R24.8Very low25Very low170 Ų170126.1 Ų126.164%0.64269%0.692SS**EExtended strand (participates in β ladder)trans-101.3121.1170.6-86.8179.2155.9171.9-8.8109.6E327E327-R344 IonicContact OE2-NH1 3.68Å
345R24.7Very low25.2Very low202 Ų202129.4 Ų129.476%0.76270%0.695SS**  trans-68.7126.2159.1-94.3-174.3179.3178.8-0.3107.8
346I24.7Very low25.3Very low82 Ų82131.5 Ų131.542%0.42169%0.693SS.*  trans-108.8112.2165.5-59.2-179.6000105.4D325 D348D325-I346 HydrophobicContact CB-CD1 4.27Å; D325-I346 WeakPolarHBondContact OD2-CD1 3.25Å; I346-D348 PolarHBondContact O-N 2.94Å
347D24.9Very low25.4Very low138 Ų138133 Ų13374%0.73870%0.697SS**  trans-66.4114165.1-69.9-34.7000107.4K349D347-K349 PolarHBondContact O-N 3.16Å
348D27.3Very low25.5Very low101 Ų101133.3 Ų133.354%0.5470%0.699SS.*  trans-71.473.3175.6-84.3-32.6000109.3R323 I346 A350R323-D348 IonicContact CZ-OD1 3.22Å; R323-D348 IonicContact NH1-OD1 3.93Å; R323-D348 PolarHBondContact NH1-OD1 2.79Å; R323-D348 IonicContact NH1-OD2 2.83Å; I346-D348 PolarHBondContact O-N 2.94Å; D348-A350 VanDerWaalsContact C-N 3.3Å
349K26Very low25.5Very low208 Ų208135.8 Ų135.890%0.90470%0.704SS**  trans-90.419.2165.1-97.3-170.9179.3178.30112.9D347D347-K349 PolarHBondContact O-N 3.16Å
350A26Very low25.5Very low92 Ų92134.3 Ų134.376%0.7671%0.711SS**  trans-142.470.4-175.700000112.8D348D348-A350 VanDerWaalsContact C-N 3.3Å
351A27.5Very low25.4Very low98 Ų98136.2 Ų136.281%0.8172%0.717SS**  trans-135.1101.5157.600000108.4
352E28.4Very low25.2Very low186 Ų186140.4 Ų140.487%0.86973%0.732SS**  trans-52.4143.2-178.9-64.9-179.5144.400113.1A354E352-A354 PolarHBondContact O-N 3.22Å
353P24.9Very low25.1Very low126 Ų126144.3 Ų144.382%0.81875%0.745SS**  trans-81.410317632.6-29.9000109.8K355P353-K355 PolarHBondContact O-N 3.25Å; P353-K355 VanDerWaalsContact O-N 3.1Å
354A26.3Very low24.9Very low100 Ų100148.1 Ų148.183%0.82675%0.75SS**  trans-80.688.9168.500000110.7E352E352-A354 PolarHBondContact O-N 3.22Å
355K26.9Very low24.8Very low182 Ų182145.4 Ų145.479%0.79176%0.757SS**  trans35.9126.6142.5-68.8177.1179.4173.10120.2P353P353-K355 PolarHBondContact O-N 3.25Å; P353-K355 VanDerWaalsContact O-N 3.1Å
356K26.1Very low25.1Very low182 Ų182140.7 Ų140.779%0.79175%0.753SS**  trans70.6127.1136.6-74-172.8177.2-168.50115.2
357D25.3Very low25Very low138 Ų138144.1 Ų144.174%0.73877%0.773SS**  cis-159.7166.131.6-83.2-45.9000109.9
358S25.7Very low25Very low104 Ų104145.9 Ų145.973%0.72778%0.776SS**  trans91.3103.4158.672.90000119.6
359N23.8Very low24.7Very low154 Ų154151.2 Ų151.282%0.82479%0.79SS**  trans66.491.9140.4-57.6-13.7000117.7
360A22.2Very low24.5Very low77 Ų77147.6 Ų147.664%0.63679%0.785SS**  87122.8100.900000111
361F22.8Very low24.3Very low194 Ų194151.9 Ų151.985%0.85179%0.79SS**  cis-155153.543.1-92.3-99.3000111.7
362F21.7Very low24Very low176 Ų176152 Ų15277%0.77278%0.784SS**  trans-39151169.7-59.3-98.8000115.9
363Y21.9Very low23.7Very low188 Ų188150.2 Ų150.274%0.73778%0.781SS**  -17013375.9-111.1-106.7000114.5
364R21.7Very low23.5Very low212 Ų212150.8 Ų150.880%0.878%0.782SS**  trans77.5101.5144-72.3-177.4-172.9-179.41.7124.1
365S21.7Very low23.3Very low113 Ų113150.2 Ų150.279%0.7978%0.777SS**  trans-29.8169.8154.478.80000121.6
366P31.4Very low23.1Very low104 Ų104150 Ų15068%0.67578%0.779SS**  trans-96.7176.1-15942.7-34.6000112.9
367D22.6Very low22.9Very low154 Ų154146.5 Ų146.582%0.82477%0.772SS**  trans-174.1151.7138.6-91.2-29.6000112.3
368E24.9Very low22.8Very low175 Ų175146.7 Ų146.782%0.81877%0.774SS**  trans9891160.5-68.6174.9179.600121.6
369Y21.7Very low22.7Very low213 Ų213146.6 Ų146.684%0.83577%0.765SS**  37.9133.1126.8-72.2-90.8000119.3
370V21.5Very low22.7Very low132 Ų132145.2 Ų145.280%0.876%0.764SS**  -156.6129.282.2162.40000111.7
371Q22Very low22.7Very low182 Ų182146.1 Ų146.185%0.8577%0.766SS**  trans-79.8134.1157.9-76.7174.8-3100109.4
372S21.4Very low22.8Very low99 Ų99143.1 Ų143.169%0.69276%0.756SS**  trans-164128.9137.258.80000114.7
373N21.3Very low22.9Very low149 Ų149136.8 Ų136.880%0.79774%0.737SS**  trans67.994.1143.1-62.6-13.4000121.4A375N373-A375 PolarHBondContact O-N 3.49Å
374T21Very low23Very low138 Ų138131.6 Ų131.685%0.84773%0.732SS**  trans-39.2120.3141.141.80000113.5
375A21.5Very low23.1Very low88 Ų88123.6 Ų123.673%0.72772%0.716SS**  trans-117.4113.4157.600000109.1N373 V377N373-A375 PolarHBondContact O-N 3.49Å; A375-V377 PolarHBondContact O-N 3.36Å
376H22.3Very low23.2Very low177 Ų177121.2 Ų121.282%0.81970%0.703SS**  trans-56.5116.6167-90.7-84.7000109.9
377V23.2Very low22.9Very low109 Ų109122.1 Ų122.166%0.66170%0.7SS**  trans-120.992.9167.4-172.40000109.1A375 N379A375-V377 PolarHBondContact O-N 3.36Å; V377-N379 VanDerWaalsContact C-N 3.34Å; V377-N379 PolarHBondContact O-N 3.44Å; V377-N379 VanDerWaalsContact O-N 3.09Å
378N22.1Very low23Very low143 Ų143118.1 Ų118.177%0.76568%0.683SS**  trans-67.187.9161.7-70.9-32.1000108.4
379N23.6Very low23Very low101 Ų101115.4 Ų115.454%0.5467%0.674SS.*  trans-167.9111.1156.3-106-25.7000112.6V377 S381V377-N379 VanDerWaalsContact C-N 3.34Å; V377-N379 PolarHBondContact O-N 3.44Å; V377-N379 VanDerWaalsContact O-N 3.09Å; N379-S381 PolarHBondContact O-N 2.85Å; N379-S381 VanDerWaalsContact O-N 3.17Å
380P23.7Very low23.2Very low125 Ų125109.6 Ų109.681%0.81267%0.669SS**THydrogen-bonded Turntrans-74.32.9-176.227.5-31.6000115.3
381S23.9Very low23.3Very low97 Ų97110 Ų11068%0.67867%0.666SS**THydrogen-bonded Turntrans-100.3-8.9-177.461.30000115.7N379N379-S381 PolarHBondContact O-N 2.85Å; N379-S381 VanDerWaalsContact O-N 3.17Å
382M23.7Very low23.5Very low130 Ų130110.6 Ų110.664%0.6466%0.661SS**SBendtrans-103.1-10175.2-79.2-162.9-68.200114.2A384 G385 A386M382-A384 VanDerWaalsContact C-N 3.34Å; M382-A384 PolarHBondContact O-N 2.94Å; M382-G385 PolarHBondContact O-N 3.12Å; M382-A386 PolarHBondContact O-N 2.92Å
383A24.1Very low23.6Very low44 Ų44112 Ų11236%0.36467%0.665SS.*Hα-helixtrans-71.6-25.3-177.800000113.6A386 M387A383-A386 PolarHBondContact O-N 3.47Å; A383-M387 HydrophobicContact CB-CE 4.45Å; A383-M387 WeakPolarHBondContact O-CG 3.33Å; A383-M387 PolarHBondContact O-N 3.16Å; A383-M387 VanDerWaalsContact O-N 3.08Å
384A23.9Very low23.8Very low78 Ų78111.9 Ų111.965%0.64566%0.663SS**Hα-helixtrans-70.4-29.6176.600000112.8M382M382-A384 VanDerWaalsContact C-N 3.34Å; M382-A384 PolarHBondContact O-N 2.94Å
385G23.8Very low24.1Very low45 Ų45112.2 Ų112.246%0.46466%0.655SS.*Hα-helixtrans-78.5-32.4173.300000113.4M382M382-G385 PolarHBondContact O-N 3.12Å
386A24Very low24.3Very low62 Ų62113.5 Ų113.551%0.51265%0.654SS.*Hα-helixtrans-78.5-29.3179.900000113.4M382 A383 L389 A390M382-A386 PolarHBondContact O-N 2.92Å; A383-A386 PolarHBondContact O-N 3.47Å; A386-L389 PolarHBondContact O-N 2.75Å; A386-A390 PolarHBondContact O-N 3.29Å
387M24.7Very low24.5Very low124 Ų124112.6 Ų112.661%0.61165%0.648SS**Hα-helixtrans-73.2-29.7174.7-72.4-168.9-149.100113.3A383 L389A383-M387 HydrophobicContact CB-CE 4.45Å; A383-M387 WeakPolarHBondContact O-CG 3.33Å; A383-M387 PolarHBondContact O-N 3.16Å; A383-M387 VanDerWaalsContact O-N 3.08Å; M387-L389 PolarHBondContact O-N 2.89Å
388C25.5Very low24.6Very low69 Ų69113 Ų11347%0.46665%0.651SS.*Hα-helixtrans-73.2-13.8171.8-75.50000113.8
389L24.4Very low24.7Very low119 Ų119112.1 Ų112.162%0.62365%0.651SS**Hα-helixtrans-96.7-25.6177.7-84.7157.9000113.2A386 M387 L391A386-L389 PolarHBondContact O-N 2.75Å; M387-L389 PolarHBondContact O-N 2.89Å; L389-L391 VanDerWaalsContact C-N 3.33Å; L389-L391 PolarHBondContact O-N 3.43Å
390A24.8Very low24.7Very low90 Ų90113.4 Ų113.474%0.74466%0.662SS**Hα-helixtrans-76.4-14.7177.400000114.4A386A386-A390 PolarHBondContact O-N 3.29Å
391L25Very low24.8Very low140 Ų140114.4 Ų114.473%0.73366%0.66SS**THydrogen-bonded Turntrans-96.29176.7-77164.1000113.6L389L389-L391 VanDerWaalsContact C-N 3.33Å; L389-L391 PolarHBondContact O-N 3.43Å
392R25Very low24.9Very low195 Ų195121 Ų12174%0.73667%0.671SS**SBendtrans-98.56.1-167.4-94-172.6180-166.11.5117.9
393V24.6Very low24.9Very low128 Ų128119.8 Ų119.878%0.77667%0.673SS**  trans-140.187.3176.6-169.60000110.2
394L25.8Very low24.9Very low147 Ų147127.3 Ų127.377%0.7770%0.701SS**  trans-107.191.9156.3-80.8167.9000106.4V396L394-V396 PolarHBondContact O-N 3.41Å
395E26.5Very low25.1Very low145 Ų145128.5 Ų128.568%0.67870%0.704SS**  trans-70.9102.9166.8-165179.8-143.100107.1K397E395-K397 PolarHBondContact O-N 2.83Å
396V26.4Very low25.2Very low116 Ų116135.2 Ų135.270%0.70372%0.724SS**  trans-83.892.5175.2-179.90000107.5L394 T398L394-V396 PolarHBondContact O-N 3.41Å; V396-T398 HydrophobicContact CG1-CG2 4.11Å; V396-T398 PolarHBondContact O-N 2.91Å
397K25.5Very low25.3Very low158 Ų158141.5 Ų141.569%0.68774%0.743SS**  trans-72.5112.4166.7-73.3-176.8179.2-179.50108.4E395E395-K397 PolarHBondContact O-N 2.83Å
398T25.6Very low25.5Very low118 Ų118139.8 Ų139.872%0.72474%0.743SS**  trans-107.1109.7168.335.50000108.4V396V396-T398 HydrophobicContact CG1-CG2 4.11Å; V396-T398 PolarHBondContact O-N 2.91Å
399T24.4Very low25.5Very low124 Ų124143.9 Ų143.976%0.76176%0.76SS**  trans-93.2112.2171.132.80000108.8
400V24.3Very low25.7Very low128 Ų128147.3 Ų147.378%0.77677%0.773SS**  trans-93105.7172.5-179.80000108.2R402V400-R402 PolarHBondContact O-N 2.78Å
401N25.7Very low25.7Very low145 Ų145145.8 Ų145.878%0.77577%0.765SS**  trans-80.1112.3171.2-75.1-28.2000109.4
402R24.4Very low25.7Very low237 Ų237145.9 Ų145.989%0.89477%0.767SS**  trans-79.6114.4163.1-79.6-176.6173.1174.4-2.6108.3V400V400-R402 PolarHBondContact O-N 2.78Å
403C23.6Very low25.7Very low104 Ų104143 Ų14370%0.70377%0.766SS**  trans-97.8119.9157.7-81.50000107.5S405C403-S405 PolarHBondContact O-N 2.98Å; C403-S405 VanDerWaalsContact O-N 3.12Å
404E24.9Very low25.7Very low201 Ų201145.1 Ų145.194%0.93977%0.769SS**  trans-63.8105.9168.2-67.8172.2165.800107.6
405S27.5Very low25.6Very low103 Ų103146.7 Ų146.772%0.7278%0.778SS**  trans-117.2118.5161.864.20000108.6C403C403-S405 PolarHBondContact O-N 2.98Å; C403-S405 VanDerWaalsContact O-N 3.12Å
406E26Very low25.5Very low187 Ų187144.1 Ų144.187%0.87478%0.781SS**  trans-51.2141.3176.5-64.3169.5148.500111.5
407E26.7Very low25.3Very low194 Ų194149.5 Ų149.591%0.90779%0.789SS**  trans62.868.6158.6-60.7-178.2165.800117.1
408S28Very low25.2Very low87 Ų87147.1 Ų147.161%0.60879%0.792SS**  trans-144.495.2146.574.60000111H410S408-H410 PolarHBondContact O-N 2.83Å
409D27.5Very low25.2Very low156 Ų156151.4 Ų151.483%0.83480%0.797SS**THydrogen-bonded Turntrans-62.411.9178.6-83.1-27.3000115.1
410H26.9Very low25.2Very low191 Ų191147.9 Ų147.988%0.88478%0.776SS**THydrogen-bonded Turntrans-139.428.6-170.8-66.7-30.1000115S408S408-H410 PolarHBondContact O-N 2.83Å
411G26.2Very low25.3Very low57 Ų57149.9 Ų149.959%0.58878%0.783SS**  trans-122.6-2.7-177.500000116.8
412D24.4Very low25.4Very low143 Ų143150.4 Ų150.477%0.76579%0.786SS**THydrogen-bonded Turntrans-69.3144.6179.6-69.8-34.8000111
413D25.1Very low25.5Very low134 Ų134142.9 Ų142.972%0.71776%0.763SS**THydrogen-bonded Turntrans104.3-9.1162.1-58.8-22.7000121.3L415D413-L415 PolarHBondContact O-N 3.46Å
414M23.9Very low25.7Very low173 Ų173143.3 Ų143.385%0.85277%0.767SS**SBendtrans-89.12.5-168-82.1-136.8-61.700119.6
415L24.3Very low25.9Very low180 Ų180141 Ų14194%0.94276%0.761SS**SBendtrans-14461.3179.3-70.7171.6000113.9D413D413-L415 PolarHBondContact O-N 3.46Å
416A23.8Very low25.9Very low90 Ų90139.2 Ų139.274%0.74475%0.748SS**  trans-147.533.7164.600000111.9
417W23.1Very low25.9Very low229 Ų229135.5 Ų135.587%0.86774%0.743SS**  trans-126.490.8-169.7-77.734.2000110.5
418S23.2Very low25.9Very low109 Ų109134.9 Ų134.976%0.76274%0.744SS**  trans-164.966.7157.665.90000110.3
419Y24.8Very low25.8Very low208 Ų208135.1 Ų135.182%0.81674%0.739SS**SBendtrans-157.4127.5161.8-132-94000110.3
420C25.1Very low25.8Very low50 Ų50133 Ų13334%0.33873%0.734SS.*  trans98.578.8176-53.20000117.1D422 L423 C438C420-D422 VanDerWaalsContact C-N 3.32Å; C420-D422 PolarHBondContact O-N 3.4Å; C420-L423 HydrophobicContact CB-CD1 3.33Å; C420-L423 HydrophobicContact CB-CG 3.73Å; C420-C438 VanDerWaalsContact SG-SG 3.61Å
421D26.5Very low25.8Very low169 Ų169129.6 Ų129.690%0.90473%0.726SS**SBendtrans-81.56172.4-91.8-28.3000115
422D27.1Very low25.8Very low157 Ų157132.6 Ų132.684%0.8473%0.729SS**  trans-136.151.8-177.7-86.7-32.9000112.6C420C420-D422 VanDerWaalsContact C-N 3.32Å; C420-D422 PolarHBondContact O-N 3.4Å
423L27.3Very low25.9Very low79 Ų79133.5 Ų133.541%0.41473%0.733SS.*  trans-119.768.2178.3-64.8-179000112.4C420 D425 C426 C435C420-L423 HydrophobicContact CB-CD1 3.33Å; C420-L423 HydrophobicContact CB-CG 3.73Å; L423-D425 PolarHBondContact O-N 3.08Å; L423-C426 HydrophobicContact CB-CB 4.08Å; L423-C426 HydrophobicContact CD1-CB 3.92Å; L423-C426 HydrophobicContact CD2-CB 4.09Å; L423-C426 WeakPolarHBondContact CD2-SG 3.5Å; L423-C426 HydrophobicContact CG-CB 4.23Å; L423-C435 HydrophobicContact CD1-CB 4.35Å; L423-C435 HydrophobicContact CD2-CB 4.06Å
424S27.8Very low26.1Very low113 Ų113130 Ų13079%0.7972%0.716SS**SBendtrans-71.5-9.1162.350.30000113.2
425D29Very low26.4Very low151 Ų151122.6 Ų122.681%0.80768%0.681SS**SBendtrans-127.18.4-170.3-68.1-35.6000115.4L423L423-D425 PolarHBondContact O-N 3.08Å
426C27.6Very low26.7Very low67 Ų67120.9 Ų120.945%0.45367%0.673SS.*  trans-93.5114.9179.6-79.40000112.9L423 L428L423-C426 HydrophobicContact CB-CB 4.08Å; L423-C426 HydrophobicContact CD1-CB 3.92Å; L423-C426 HydrophobicContact CD2-CB 4.09Å; L423-C426 WeakPolarHBondContact CD2-SG 3.5Å; L423-C426 HydrophobicContact CG-CB 4.23Å; C426-L428 PolarHBondContact O-N 3.44Å
427S26.1Very low27Very low109 Ų109120.9 Ų120.976%0.76266%0.664SS**  trans-54.5126.9169.2570000110.8D429S427-D429 PolarHBondContact O-N 3.43Å
428L27Very low27.4Very low180 Ų180110.9 Ų110.994%0.94263%0.628SS**  trans-61.879.5173.2-76.3149.4000110.6C426C426-L428 PolarHBondContact O-N 3.44Å
429D25.9Very low27.8Very low92 Ų92107.7 Ų107.749%0.49261%0.606SS.*  trans-109.2105.4166.8-154.1-13.3000108.6S427 V431 N432S427-D429 PolarHBondContact O-N 3.43Å; D429-V431 PolarHBondContact O-N 3.17Å; D429-N432 PolarHBondContact O-N 3.41Å; D429-N432 VanDerWaalsContact O-N 3.12Å
430P26.9Very low28.1Very low112 Ų112101.1 Ų101.173%0.72759%0.59SS**THydrogen-bonded Turntrans-66.1-1.3-168.224.7-33.7000114.7
431V26.3Very low28.3Very low120 Ų120108.1 Ų108.173%0.72761%0.61SS**THydrogen-bonded Turntrans-100.5-15.5179.9-172.80000112.4D429D429-V431 PolarHBondContact O-N 3.17Å
432N26.1Very low28.4Very low120 Ų120104 Ų10464%0.64259%0.586SS**  trans-115.971.8-177.8-75.3-36.5000111.6D429 V434D429-N432 PolarHBondContact O-N 3.41Å; D429-N432 VanDerWaalsContact O-N 3.12Å; N432-V434 PolarHBondContact O-N 2.8Å
433L26.9Very low28.4Very low162 Ų162104.9 Ų104.985%0.84858%0.582SS**  trans-67.211177.8-88.4150000115.1
434V28.9Very low28.5Very low59 Ų59105.6 Ų105.636%0.35859%0.594SS.*SBendtrans-131.8110.9-177.6-176.20000108.2N432 C438 M442N432-V434 PolarHBondContact O-N 2.8Å; V434-C438 HydrophobicContact CG1-CB 3.6Å; V434-M442 HydrophobicContact CB-CE 4.44Å; V434-M442 HydrophobicContact CG1-CE 3.43Å; V434-M442 VanDerWaalsContact CG1-CE 3.43Å; V434-M442 HydrophobicContact CG1-SD 4.1Å; V434-M442 HydrophobicContact CG2-CE 4.15Å
435C29.9Very low28.5Very low19 Ų19108 Ų10813%0.12859%0.59CS.*  trans-56.8147.9174.984.50000110.7L423 V437 C438 S439L423-C435 HydrophobicContact CD1-CB 4.35Å; L423-C435 HydrophobicContact CD2-CB 4.06Å; C435-V437 PolarHBondContact O-N 3.19Å; C435-C438 HydrophobicContact CB-CB 4.11Å; C435-C438 WeakPolarHBondContact CB-SG 3.2Å; C435-C438 CarbonylContact O-C 3.56Å; C435-C438 VanDerWaalsContact O-CA 3.27Å; C435-C438 WeakPolarHBondContact O-CA 3.27Å; C435-C438 WeakPolarHBondContact O-CB 3.35Å; C435-C438 PolarHBondContact O-N 3.5Å; C435-C438 WeakPolarHBondContact SG-CB 3.31Å; C435-C438 PolarHBondContact SG-N 3.12Å; C435-C438 CovalentContact SG-SG 2.07Å; C435-C438 PolarHBondContact SG-SG 3.44Å; C435-S439 PolarHBondContact O-N 3.34Å
436D31Very low28.4Very low143 Ų143110.9 Ų110.977%0.76560%0.595SS**Hα-helixtrans-57.6-28.4-179.5-85.6-31.9000113.2S440D436-S440 VanDerWaalsContact O-CB 3.22Å; D436-S440 WeakPolarHBondContact O-CB 3.36Å; D436-S440 PolarHBondContact O-N 3.2Å; D436-S440 PolarHBondContact O-OG 3.04Å
437V30.1Very low28.2Very low91 Ų91114.9 Ų114.955%0.55261%0.611SS**Hα-helixtrans-69.1-36.6172.3-177.60000111.5C435 S440 R441C435-V437 PolarHBondContact O-N 3.19Å; V437-S440 WeakPolarHBondContact CA-OG 3.5Å; V437-S440 PolarHBondContact O-OG 3.39Å; V437-R441 WeakPolarHBondContact O-CB 3.16Å; V437-R441 WeakPolarHBondContact O-CG 3.16Å; V437-R441 PolarHBondContact O-N 3.24Å
438C33Very low28.2Very low19 Ų19115.6 Ų115.613%0.12861%0.611CS.*Hα-helixtrans-73.4-41.6176.8-49.50000109.7C420 V434 C435 R441 M442C420-C438 VanDerWaalsContact SG-SG 3.61Å; V434-C438 HydrophobicContact CG1-CB 3.6Å; C435-C438 HydrophobicContact CB-CB 4.11Å; C435-C438 WeakPolarHBondContact CB-SG 3.2Å; C435-C438 CarbonylContact O-C 3.56Å; C435-C438 VanDerWaalsContact O-CA 3.27Å; C435-C438 WeakPolarHBondContact O-CA 3.27Å; C435-C438 WeakPolarHBondContact O-CB 3.35Å; C435-C438 PolarHBondContact O-N 3.5Å; C435-C438 WeakPolarHBondContact SG-CB 3.31Å; C435-C438 PolarHBondContact SG-N 3.12Å; C435-C438 CovalentContact SG-SG 2.07Å; C435-C438 PolarHBondContact SG-SG 3.44Å; C438-R441 PolarHBondContact O-N 3.25Å; C438-M442 HydrophobicContact CB-CE 3.97Å; C438-M442 VanDerWaalsContact O-CB 3.31Å; C438-M442 WeakPolarHBondContact O-CB 3.22Å; C438-M442 WeakPolarHBondContact O-CG 3.2Å; C438-M442 PolarHBondContact O-N 3.42Å
439S30.5Very low28Very low42 Ų42115.6 Ų115.629%0.29461%0.611SS.*Hα-helixtrans-67.3-43.6177.7-168.50000111.3C435 R441 M442 K443C435-S439 PolarHBondContact O-N 3.34Å; S439-R441 VanDerWaalsContact C-N 3.34Å; S439-R441 PolarHBondContact O-N 3.34Å; S439-M442 CarbonylContact O-C 3.55Å; S439-M442 PolarHBondContact O-N 3.11Å; S439-M442 VanDerWaalsContact O-N 3.16Å; S439-K443 WeakPolarHBondContact O-CG 3.44Å; S439-K443 PolarHBondContact O-N 3.21Å
440S31.2Very low28Very low69 Ų69119.9 Ų119.948%0.48363%0.628SS.*Hα-helixtrans-65.9-32.2175.755.90000113.5D436 V437D436-S440 VanDerWaalsContact O-CB 3.22Å; D436-S440 WeakPolarHBondContact O-CB 3.36Å; D436-S440 PolarHBondContact O-N 3.2Å; D436-S440 PolarHBondContact O-OG 3.04Å; V437-S440 WeakPolarHBondContact CA-OG 3.5Å; V437-S440 PolarHBondContact O-OG 3.39Å
441R29.7Very low28Very low198 Ų198124.2 Ų124.275%0.74764%0.635SS**Hα-helixtrans-76.2-30.8170.7-72.1178.8175.8-168.70.7112.7V437 C438 S439 S444V437-R441 WeakPolarHBondContact O-CB 3.16Å; V437-R441 WeakPolarHBondContact O-CG 3.16Å; V437-R441 PolarHBondContact O-N 3.24Å; C438-R441 PolarHBondContact O-N 3.25Å; S439-R441 VanDerWaalsContact C-N 3.34Å; S439-R441 PolarHBondContact O-N 3.34Å; R441-S444 PolarHBondContact O-OG 3.09Å
442M28.3Very low28.1Very low81 Ų81125.8 Ų125.840%0.39964%0.64SS.*Hα-helixtrans-77.6-20.4176.2-77-173.6-131.400114.5V434 C438 S439 S444 K445V434-M442 HydrophobicContact CB-CE 4.44Å; V434-M442 HydrophobicContact CG1-CE 3.43Å; V434-M442 VanDerWaalsContact CG1-CE 3.43Å; V434-M442 HydrophobicContact CG1-SD 4.1Å; V434-M442 HydrophobicContact CG2-CE 4.15Å; C438-M442 HydrophobicContact CB-CE 3.97Å; C438-M442 VanDerWaalsContact O-CB 3.31Å; C438-M442 WeakPolarHBondContact O-CB 3.22Å; C438-M442 WeakPolarHBondContact O-CG 3.2Å; C438-M442 PolarHBondContact O-N 3.42Å; S439-M442 CarbonylContact O-C 3.55Å; S439-M442 PolarHBondContact O-N 3.11Å; S439-M442 VanDerWaalsContact O-N 3.16Å; M442-S444 PolarHBondContact O-N 3.23Å; M442-K445 PolarHBondContact O-N 3.1Å
443K27.9Very low28Very low176 Ų176125.3 Ų125.377%0.76564%0.643SS**THydrogen-bonded Turntrans-57.7-0.9178.1-84.4175.3-172.4178.20115.6S439S439-K443 WeakPolarHBondContact O-CG 3.44Å; S439-K443 PolarHBondContact O-N 3.21Å
444S28.2Very low27.9Very low95 Ų95121.9 Ų121.966%0.66464%0.638SS**THydrogen-bonded Turntrans-102.4-1175.960.10000115.1R441 M442R441-S444 PolarHBondContact O-OG 3.09Å; M442-S444 PolarHBondContact O-N 3.23Å
445K28.1Very low27.8Very low163 Ų163128.4 Ų128.471%0.70966%0.662SS**SBendtrans-138.2115.7-172.5-64.6-177.5-179.2-179.40111.6M442 L447M442-K445 PolarHBondContact O-N 3.1Å; K445-L447 PolarHBondContact O-N 2.8Å; K445-L447 VanDerWaalsContact O-N 3.11Å
446K26.1Very low27.6Very low211 Ų211133.5 Ų133.592%0.91770%0.696SS**  trans-61.6107.1169.4-89.3-179.6171.9179.40109.1
447L24.7Very low27.3Very low151 Ų151135.6 Ų135.679%0.79170%0.699SS**  trans-101.9121.2163.2-86.6155.5000107.7K445K445-L447 PolarHBondContact O-N 2.8Å; K445-L447 VanDerWaalsContact O-N 3.11Å
448V25.2Very low27Very low124 Ų124137.3 Ų137.375%0.75271%0.71SS**  trans-109.9123174.2179.60000107.3
449L24.2Very low26.5Very low180 Ų180142.4 Ų142.494%0.94274%0.74SS**  trans-88115.7172.2-87.5153.8000108.8
450E25.9Very low26Very low182 Ų182146.3 Ų146.385%0.8576%0.758SS**  trans-106127.5175.3-153.8170-152.600109.4
451K25.6Very low25.6Very low203 Ų203153.2 Ų153.288%0.88377%0.773SS**  trans-109.9106.1-174.3-171.4-176.7-175.2-177.30108.5
452D27.7Very low25.2Very low154 Ų154149.3 Ų149.382%0.82478%0.775SS**  trans-98.4124.3179.3-140.3-4000111
453P25.3Very low24.9Very low110 Ų110153 Ų15371%0.71480%0.795SS**  trans-95.6124.7-172.233.8-29.6000114.7
454A25.1Very low24.7Very low90 Ų90151.4 Ų151.474%0.74479%0.79SS**  trans62.5123.914600000121.9
455K26.5Very low24.5Very low195 Ų195152.2 Ų152.285%0.84879%0.791SS**  173.4112.3112.1-92.1166-172.1174.10110.7
456C25.6Very low24.3Very low126 Ų126150.4 Ų150.485%0.85179%0.789SS**  trans-140.5101.1150.5-96.10000109.9
457K25.2Very low24.2Very low187 Ų187147.4 Ų147.481%0.81378%0.782SS**  trans-84.7132.5165.4-70.4177.6174.5-176.40106.3
458T23.8Very low24Very low128 Ų128144.7 Ų144.779%0.78578%0.78SS**SBendtrans76.4111.7163.360.10000119.7
459T22.4Very low23.9Very low126 Ų126144.6 Ų144.677%0.77378%0.784SS**  trans46.8124.6133.6590000118.9
460D20.1Very low23.9Very low124 Ų124140.4 Ų140.466%0.66377%0.77SS**  trans79.2114174.7-83.120.7000115.4
461R21.1Very low23.8Very low213 Ų213139.8 Ų139.880%0.80477%0.773SS**  trans88.4145.7139.6-55.3155.8-168.3-151.4-3.4118.9
462C21.8Very low23.8Very low117 Ų117136.4 Ų136.479%0.79177%0.768SS**  trans77.2105.8154.3-57.20000118.1Q464C462-Q464 PolarHBondContact O-N 2.85Å
463I22.8Very low23.6Very low158 Ų158138.1 Ų138.181%0.8177%0.771SS**  trans-77.3104.3148.5-58.8173.9000106V465I463-V465 HydrophobicContact CG2-CG2 3.94Å
464Q23.6Very low23.5Very low143 Ų143139.4 Ų139.467%0.66878%0.777SS**  trans-94.4117.3167.5-175.8174.3-17.700107.8C462 D466C462-Q464 PolarHBondContact O-N 2.85Å; Q464-D466 VanDerWaalsContact NE2-CG 3.35Å; Q464-D466 PolarHBondContact NE2-OD1 3.44Å; Q464-D466 PolarHBondContact NE2-OD2 3.11Å; Q464-D466 VanDerWaalsContact NE2-OD2 3.11Å
465V23.9Very low23.5Very low112 Ų112140 Ų14068%0.67978%0.776SS**  trans-101.698171-1770000107.4I463 I467I463-V465 HydrophobicContact CG2-CG2 3.94Å; V465-I467 HydrophobicContact CG1-CG1 4.27Å; V465-I467 PolarHBondContact O-N 3.5Å
466D23.1Very low23.4Very low125 Ų125137 Ų13767%0.66877%0.774SS**  trans-82.5112.3171.8-72-31.3000109.4Q464 A468Q464-D466 VanDerWaalsContact NE2-CG 3.35Å; Q464-D466 PolarHBondContact NE2-OD1 3.44Å; Q464-D466 PolarHBondContact NE2-OD2 3.11Å; Q464-D466 VanDerWaalsContact NE2-OD2 3.11Å; D466-A468 PolarHBondContact O-N 3.28Å
467I24.1Very low23.3Very low148 Ų148137 Ų13776%0.75977%0.77SS**  trans-91100.1171.2-56.9175.4000107.6V465V465-I467 HydrophobicContact CG1-CG1 4.27Å; V465-I467 PolarHBondContact O-N 3.5Å
468A21.6Very low23.1Very low93 Ų93136.8 Ų136.877%0.76977%0.772SS**  trans-88.8115.5170.500000110D466D466-A468 PolarHBondContact O-N 3.28Å
469C22.6Very low23.1Very low123 Ų123136.6 Ų136.683%0.83177%0.77SS**  trans-84.2113.3167.1-650000108.8
470S23.7Very low23.6Very low92 Ų92140.2 Ų140.264%0.64380%0.796SS**  trans-105121168.555.60000109.9V472S470-V472 PolarHBondContact O-N 3.43Å
471D23.6Very low23.8Very low169 Ų169141.1 Ų141.190%0.90480%0.803SS**  trans-64.8122.5169.1-70.9-38.7000109.2
472V26.1Very low23.9Very low131 Ų131137.3 Ų137.379%0.79480%0.803SS**  trans-105.9119.8169.1-179.90000108.5S470S470-V472 PolarHBondContact O-N 3.43Å
473E23.7Very low24Very low190 Ų190138.4 Ų138.489%0.88880%0.804SS**  trans-55.3141.8-179.4-74.8-178.9135.900113.7S475E473-S475 PolarHBondContact O-N 3.43Å
474V24.4Very low24.1Very low137 Ų137137.2 Ų137.283%0.8380%0.803SS**  trans-82.4109.5178.2-1790000109.8
475S24.6Very low24.1Very low103 Ų103136.9 Ų136.972%0.7281%0.812SS**  trans-79.8120.6163.363.50000110E473 V477E473-S475 PolarHBondContact O-N 3.43Å; S475-V477 PolarHBondContact O-N 3.47Å
476T22.9Very low24.1Very low131 Ų131138.5 Ų138.580%0.80482%0.82SS**  trans-62.7115.2173.545.10000111.3
477V24.4Very low24.2Very low126 Ų126139.5 Ų139.576%0.76483%0.831SS**  trans-92.8108.3165.1-179.30000107.9S475 T479S475-V477 PolarHBondContact O-N 3.47Å; V477-T479 PolarHBondContact O-N 3.29Å
478Q21.6Very low24.2Very low184 Ų184138.8 Ų138.886%0.8684%0.837SS**  trans-65.5121.5163.5-72.4177.3-2300108.3
479T23.1Very low24.4Very low123 Ų123142.7 Ų142.776%0.75584%0.843SS**  trans-78.3146157.936.40000108.9V477V477-T479 PolarHBondContact O-N 3.29Å
480P32.7Very low24.6Very low203 Ų203144.5 Ų144.5100%1.31884%0.844SS**  trans-570-16123-35.2000116.1

Retrieved 480 of 480 residues in 283.9 ms (Link to these results)