A0A087X7D1_POEFO Loading...

Claspin

AlphaFold DB , UniProt , Accession A0A087X7D1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,195 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
1M32.8Very low39.7Very low245 Ų245147.8 Ų147.8100%1.20781%0.808SS**  0152.80-67.8176.8175.300109.2
2S35.9Very low38.8Very low106 Ų106142.8 Ų142.874%0.74180%0.801SS**  trans-12.1153.6152-65.30000119.7
3L39.5Very low40.4Very low152 Ų152141.1 Ų141.180%0.79680%0.8SS**  cis-169.7155.31.2-100.6161000111
4V39.4Very low41Very low119 Ų119140.6 Ų140.672%0.72181%0.805SS**  trans74.1112.7136.1169.30000125.5
5V40.6Very low41Very low133 Ų133137.9 Ų137.981%0.80681%0.806SS**  62.6143.6123.4-170.20000124.9
6S44.6Very low41.1Very low104 Ų104135.8 Ų135.873%0.72781%0.81SS**  trans-81.7166.8-175.950000119.4
7Q42.9Very low41.1Very low172 Ų172133.7 Ų133.780%0.80481%0.811SS**  -172.2143.6128.9-109.8-179.759.600117.5
8Q45.2Very low40.6Very low149 Ų149137.3 Ų137.370%0.69682%0.817SS**  trans26160.8133.2-68.2-174.21.500123.1
9Q42.6Very low40.6Very low161 Ų161136.1 Ų136.175%0.75281%0.811SS**  cis-166163.112.6-135.8-178.67500115.7
10A40.9Very low40Very low85 Ų85135 Ų13570%0.70281%0.806SS**  trans85.5164.4134.800000126.6
11E32.2Very low40.2Very low200 Ų200131.9 Ų131.994%0.93579%0.789SS**  trans82.4146.7166.5-151.4165.3-81.200119.3
12A29.4Very low39.9Very low88 Ų88127.5 Ų127.573%0.72777%0.77SS**  cis-162.4168.8-39.800000112.9
13P59.7Low39.8Very low120 Ų120126.8 Ų126.878%0.77977%0.765SS**  trans-110.6178-175.242.2-35.1000116.1
14P48.2Very low39.3Very low135 Ų135125.9 Ų125.988%0.87776%0.761SS**  -148-160.1117.540-22.7000115.2
15A40.7Very low38.9Very low99 Ų99125 Ų12582%0.81876%0.76SS**  trans-145.7-176-156.500000117.2
16A42.9Very low38.3Very low105 Ų105126.2 Ų126.287%0.86876%0.762SS**  trans91.998.3157.700000120.8
17A41Very low38.1Very low100 Ų100126 Ų12683%0.82676%0.761SS**  trans-134.7157142.800000107.9
18Q32.2Very low37.4Very low199 Ų199121.1 Ų121.193%0.9376%0.757SS**  trans-88.1162.6-154.2-65.8-165.820.600117.3
19T39.9Very low36.9Very low114 Ų114123.1 Ų123.170%0.69977%0.768SS**  trans-92.6165.7-160.849.50000115.7
20T28.7Very low36Very low114 Ų114118.7 Ų118.770%0.69977%0.766SS**  trans74.3169.9163.883.30000116.3
21P45.8Very low36.1Very low69 Ų69119.4 Ų119.445%0.44877%0.766SS.*  cis-124.6-178.8-19.227.4-6.6000112.8
22D24.7Very low35.7Very low154 Ų154115.5 Ų115.582%0.82476%0.757SS**  trans62.3178.2166.4-46.5-47.3000113.5
23S34.1Very low35.4Very low91 Ų91115 Ų11564%0.63675%0.754SS**  cis-146.5157.4-0.9-161.40000110.5
24D30.5Very low33.8Very low133 Ų133115.6 Ų115.671%0.71176%0.755SS**  trans64.3141.9163.6-61.7-61.4000118.1
25S29.9Very low32.6Very low99 Ų99114.3 Ų114.369%0.69274%0.744SS**  cis78.7133.532-50.90000114
26D29.2Very low31.8Very low159 Ų159116.4 Ų116.485%0.8574%0.739SS**  trans65.4147.4174.4-139.857.2000114.8
27S39.6Very low31Very low100 Ų100115.5 Ų115.570%0.69972%0.723SS**  cis-149.8151.7-18.426.20000108.4
28G29Very low30.4Very low70 Ų70113.8 Ų113.872%0.72270%0.702SS**  cis-165.7126.4-7.500000112G30G28-G30 PolarHBondContact O-N 3.45Å
29M33.6Very low30.4Very low191 Ų191107.4 Ų107.494%0.94168%0.683SS**  trans-60.9125153.5-92.2-80.3108.200107.9
30G23.7Very low29.8Very low68 Ų68108.4 Ų108.470%0.70168%0.684SS**  trans-127.910.7-167.400000115.2G28 P32G28-G30 PolarHBondContact O-N 3.45Å; G30-P32 WeakPolarHBondContact O-CD 3.36Å
31S42.5Very low29.9Very low99 Ų99106.8 Ų106.869%0.69268%0.675SS**  trans-78.2114.2166.4-580000109.4A33S31-A33 PolarHBondContact O-N 3.4Å
32P25.2Very low29Very low118 Ų118113.1 Ų113.177%0.76669%0.69SS**  trans-62.9122.4144.429.6-30.7000106.1G30G30-P32 WeakPolarHBondContact O-CD 3.36Å
33A21.7Very low29.3Very low79 Ų79113.1 Ų113.165%0.65369%0.69SS**  cis63.370.335.800000112.8S31S31-A33 PolarHBondContact O-N 3.4Å
34V26.3Very low29Very low131 Ų131113.4 Ų113.479%0.79470%0.697SS**  -150.1143.7120.8-92.10000107
35T23.9Very low29.2Very low108 Ų108113.8 Ų113.866%0.66370%0.704SS**  cis53.266.49.867.90000116.1
36M23.6Very low29.6Very low143 Ų143113.8 Ų113.870%0.70470%0.702SS**  -164138.9109.6-91.7-49167.500108.7
37T25.1Very low29.6Very low87 Ų87111.7 Ų111.753%0.53470%0.695SS.*  65104.2124.560.40000112.1
38T28.3Very low29.1Very low64 Ų64111.2 Ų111.239%0.39369%0.69SS.*  62.4154.184.474.10000113.8D1144 K1145T38-D1144 WeakPolarHBondContact CA-OD1 3.27Å; T38-D1144 VanDerWaalsContact CB-CG 3.44Å; T38-D1144 VanDerWaalsContact CB-OD1 3.27Å; T38-D1144 WeakPolarHBondContact CB-OD1 3.15Å; T38-D1144 WeakPolarHBondContact CB-OD2 3.34Å; T38-D1144 HydrophobicContact CG2-CB 3.78Å; T38-D1144 WeakPolarHBondContact CG2-OD1 3.15Å; T38-K1145 HydrophobicContact CG2-CG 4.44Å
39A32.8Very low29.1Very low64 Ų64116.6 Ų116.653%0.52969%0.694SS.*  trans-48.4161.4162.400000111
40D28.1Very low29.1Very low135 Ų135111.9 Ų111.972%0.72268%0.68SS**  cis-166.6166.638.3-156.92.6000115.4
41T30.6Very low29.2Very low80 Ų80115.8 Ų115.849%0.49169%0.685SS.*  trans69.8133.1151.546.40000123.3
42R27.6Very low28.8Very low203 Ų203115.8 Ų115.877%0.76669%0.685SS**  trans84.9117.9135.1-72.3158.7-165.1145.62.8120.7
43N29.4Very low29.3Very low154 Ų154116.8 Ų116.882%0.82468%0.683SS**  56.6103.6126.9-55.11.1000119.4
44A29Very low29.9Very low96 Ų96120.6 Ų120.679%0.79369%0.693SS**  -157.6111119.900000111.9
45V33.4Very low30.4Very low141 Ų141122.9 Ų122.986%0.85570%0.695SS**  trans-69.7127.9153.3167.10000106.9
46P39.1Very low30.8Very low100 Ų100124.3 Ų124.365%0.64970%0.698SS**  -147134112.440-23.6000113.9
47V29.1Very low31.2Very low115 Ų115123.4 Ų123.470%0.69770%0.701SS**  81.5133.998.7168.90000113.9F49V47-F49 HydrophobicContact CG1-CE2 4.41Å
48C28.9Very low31.4Very low89 Ų89123.3 Ų123.360%0.60171%0.709SS**  cis-172.1-176.1-12.3-103.70000109.5
49F28.6Very low31.4Very low183 Ų183124.4 Ų124.480%0.80372%0.724SS**  trans78.7133.6157.7-48.1-64.4000116.6V47V47-F49 HydrophobicContact CG1-CE2 4.41Å
50S34Very low31.3Very low93 Ų93128.4 Ų128.465%0.6573%0.732SS**  cis-151.1143-11-94.20000107.9
51D26.8Very low31.3Very low149 Ų149132 Ų13280%0.79774%0.735SS**  cis8511243-172.630.6000113
52S33.5Very low31.5Very low99 Ų99137.8 Ų137.869%0.69275%0.753SS**  trans-176.4106.5162.4-168.60000109.1
53D35.3Very low32.3Very low139 Ų139134.3 Ų134.374%0.74376%0.757SS**  trans45.9112.4141.5-39.5-78.5000118.4
54D34.2Very low32.4Very low159 Ų159137 Ų13785%0.8576%0.756SS**  cis88.3159.525.5-139.5-14.7000115.6
55E38.1Very low32.7Very low179 Ų179142.1 Ų142.184%0.83675%0.754SS**  trans77.2143.2-173.9-52.6-103.314000118.6
56D32Very low32.5Very low138 Ų138141.8 Ų141.874%0.73875%0.748SS**  cis-163.8-165.6-44.1-158.5-8.6000109.2
57V31.3Very low32.1Very low125 Ų125141.6 Ų141.676%0.75876%0.755SS**  trans92.571.4160.5-160.30000118.3
58A28.6Very low32Very low84 Ų84144.1 Ų144.169%0.69476%0.763SS**  35.7104.1115.800000122
59A29.3Very low32.1Very low87 Ų87146.6 Ų146.672%0.71977%0.769SS**  80.5150.8115.900000124.1
60H29.6Very low32Very low148 Ų148145 Ų14569%0.68577%0.768SS**  trans90.1114.6150.2-76.5-41.6000123.3
61R29.2Very low31.8Very low212 Ų212145.9 Ų145.980%0.877%0.774SS**  trans93.8137.2132.2-70.5173.5176.1106.91120.9
62K35.2Very low31.9Very low200 Ų200147.5 Ų147.587%0.8778%0.777SS**  trans-57.8162.7162.2-58.7176.4-178.4179.40110.7
63P43.3Very low31.9Very low130 Ų130152 Ų15284%0.84479%0.787SS**  cis-147.6-137.944.443.3-20.3000116.7
64R31.3Very low31.7Very low212 Ų212154.5 Ų154.580%0.880%0.795SS**  trans-114.7151.6-157.6-52.4167.591.21789.3113.2
65R35.3Very low31.7Very low202 Ų202154.9 Ų154.976%0.76279%0.791SS**  trans80128.9137.5-89.4-167148.11450.6123.1
66N29.5Very low31.3Very low135 Ų135153.5 Ų153.572%0.72280%0.795SS**  trans93.3142.7133.5-72.822.7000121.5
67A30.3Very low31.1Very low96 Ų96150.9 Ų150.979%0.79379%0.792SS**  trans67.1150.4179.500000114.1
68I28.8Very low31.1Very low167 Ų167149.3 Ų149.386%0.85679%0.793SS**  cis-134.7179.529.1-74.4166.5000111.1
69I29.8Very low31.1Very low142 Ų142152.7 Ų152.773%0.72879%0.794SS**  trans-118.3158.8-179.9-82.1171000110.3
70D26.2Very low31.2Very low148 Ų148156.8 Ų156.879%0.79180%0.795SS**  trans89.8144162.9-72.5-26.5000123.1
71S30.9Very low31.1Very low112 Ų112154.7 Ų154.778%0.78380%0.797SS**  trans84.3161.2146-72.80000123.5
72E28.7Very low31.1Very low183 Ų183151.2 Ų151.286%0.85580%0.8SS**  trans72.9102.3174.380-154.9161.800117.9
73E33.9Very low30.9Very low193 Ų193146 Ų14690%0.90279%0.794SS**  cis79.1128.526.9-157.6177-134.700114.9
74E30.5Very low30.3Very low193 Ų193146.1 Ų146.190%0.90279%0.792SS**  trans-137.7139.3168.1-168.4173.9-139.200111.3
75E33.7Very low30.3Very low166 Ų166142.6 Ų142.678%0.77679%0.794SS**  trans-84.6168.3-175.2-67.6-170.796.700114.8
76V29Very low30.1Very low151 Ų151136.5 Ų136.592%0.91579%0.793SS**  trans-136.895.5130.2-98.20000112.4
77A29.3Very low30.1Very low82 Ų82133.6 Ų133.668%0.67880%0.795SS**  trans36.5132.8147.400000120
78A30Very low30Very low93 Ų93137 Ų13777%0.76980%0.795SS**  -174.9146.254.600000114.2
79E30Very low30Very low155 Ų155139.5 Ų139.572%0.72479%0.793SS**  trans-11.6138.6164-49.6178.6163.600118.7
80K31.4Very low30Very low172 Ų172137.6 Ų137.675%0.74879%0.793SS**  -172.316266.8-125.4122.4-175.61580116.3
81S27.8Very low30.8Very low104 Ų104136.1 Ų136.173%0.72779%0.791SS**  trans65.993149.457.50000123.1
82V28.6Very low30.5Very low140 Ų140134.9 Ų134.985%0.84879%0.788SS**  59.594107.5179.30000120
83A31.2Very low30.4Very low91 Ų91131.8 Ų131.875%0.75279%0.787SS**  87.6146.4115.800000125.4
84V31Very low30.1Very low132 Ų132127.7 Ų127.780%0.878%0.779SS**  trans106.2115.4138.5139.30000121.1
85V31Very low30Very low138 Ų138121.7 Ų121.784%0.83677%0.769SS**  trans61.4136.9154.2177.10000118.7
86G30.2Very low29.8Very low73 Ų73122.1 Ų122.175%0.75377%0.771SS**  cis133.1141-5.900000114.3
87G29.2Very low29.7Very low74 Ų74122.9 Ų122.976%0.76377%0.765SS**  trans159.4110.7166.600000121.1
88Q29.9Very low29.7Very low168 Ų168123.9 Ų123.979%0.78577%0.773SS**  trans58.4140.9137.5-69.3-158.931.600125.9
89R27.6Very low29.7Very low219 Ų219127.5 Ų127.583%0.82677%0.774SS**  trans98.7115.2138.6-84.5168.2-173.7-146.1-6122.7
90S31Very low30.3Very low102 Ų102125.1 Ų125.171%0.71377%0.772SS**  trans-30.1161.2142.156.40000117.1
91P41.6Very low30.2Very low117 Ų117124.9 Ų124.976%0.7677%0.773SS**  cis-158-177.248.845.6-24.8000121.1
92A25.7Very low30.3Very low87 Ų87125.7 Ų125.772%0.71977%0.765SS**  trans67.9138.1148.200000119.5
93S26.8Very low30.2Very low118 Ų118122 Ų12283%0.82576%0.755SS**  cis76.8136.242.6-160.40000112.4
94S26.8Very low30.1Very low107 Ų107125.6 Ų125.675%0.74875%0.75SS**  cis-140.6178.82947.40000110.7
95G28.5Very low30.2Very low66 Ų66129.9 Ų129.968%0.6875%0.752SS**  cis98.4149.227.200000110.8
96E29.9Very low30Very low176 Ų176128.2 Ų128.282%0.82275%0.746SS**  cis-155.1149.37.1-93.2177.3111.800111.8
97E26.4Very low30Very low167 Ų167129.2 Ų129.278%0.7874%0.741SS**  trans47.9131.7130.1-53-67.7127.500123.8
98A28.8Very low30.1Very low103 Ų103137 Ų13785%0.85175%0.748SS**  -178.5110.9125.700000114.7
99E30.1Very low30Very low169 Ų169135.3 Ų135.379%0.7975%0.749SS**  trans-74.4-175.8160.5-79.6-84.6157.600110.9
100P42.1Very low30.7Very low104 Ų104132.6 Ų132.668%0.67575%0.749SS**  cis-155.1-177.221.748.5-27.9000120.7
101E29.5Very low30.7Very low167 Ų167132.8 Ų132.878%0.7875%0.75SS**  trans61153149.7-60.5-122.911600120.4
102E29.8Very low30.3Very low121 Ų121136.4 Ų136.457%0.56576%0.757SS**  cis-133.1159.7-13.2-105.7-145.9135.200106.4R104E102-R104 VanDerWaalsContact CD-NH2 3.26Å; E102-R104 IonicContact OE1-CZ 2.73Å; E102-R104 IonicContact OE1-NE 3.3Å; E102-R104 PolarHBondContact OE1-NE 3.29Å; E102-R104 IonicContact OE1-NH2 2.71Å; E102-R104 PolarHBondContact OE1-NH2 3.07Å; E102-R104 IonicContact OE2-CZ 2.65Å; E102-R104 VanDerWaalsContact OE2-CZ 3.3Å; E102-R104 IonicContact OE2-NE 2.77Å; E102-R104 PolarHBondContact OE2-NE 3.38Å; E102-R104 IonicContact OE2-NH2 3.39Å; E102-R104 PolarHBondContact OE2-NH2 2.81Å
103G27.4Very low30.6Very low62 Ų62136.6 Ų136.664%0.63976%0.759SS**  cis155.4-174.30.100000112.2
104R30.1Very low31.5Very low168 Ų168136.6 Ų136.663%0.63476%0.756SS**  trans77.9107.3162.2-57.2163.3-168.2-99.3-15.2116.4E102E102-R104 VanDerWaalsContact CD-NH2 3.26Å; E102-R104 IonicContact OE1-CZ 2.73Å; E102-R104 IonicContact OE1-NE 3.3Å; E102-R104 PolarHBondContact OE1-NE 3.29Å; E102-R104 IonicContact OE1-NH2 2.71Å; E102-R104 PolarHBondContact OE1-NH2 3.07Å; E102-R104 IonicContact OE2-CZ 2.65Å; E102-R104 VanDerWaalsContact OE2-CZ 3.3Å; E102-R104 IonicContact OE2-NE 2.77Å; E102-R104 PolarHBondContact OE2-NE 3.38Å; E102-R104 IonicContact OE2-NH2 3.39Å; E102-R104 PolarHBondContact OE2-NH2 2.81Å
105R31.3Very low32.2Very low222 Ų222138.2 Ų138.284%0.83876%0.756SS**  79.8139.587.7-75.4170-161.3-159.16.9113.1
106S27Very low32.5Very low102 Ų102142.7 Ų142.771%0.71377%0.765SS**  cis-162.6157.210-175.10000113.9
107S30.4Very low32.7Very low94 Ų94137.5 Ų137.566%0.65776%0.758SS**  trans47.7112.2143.759.20000123.3
108R32.5Very low33.4Very low237 Ų237139.4 Ų139.489%0.89477%0.768SS**  44.8116.3103.7-172.8-168.2-157.8166.46.7118.5
109T27.1Very low34.2Very low134 Ų134142.8 Ų142.882%0.82277%0.766SS**  -177.5159.2122.1-74.40000111.3
110I41.7Very low34.7Very low162 Ų162141.1 Ų141.183%0.83176%0.758SS**  trans-97.8134.2-177.5-61.5160000110.8
111S31.7Very low34.9Very low105 Ų105142.7 Ų142.773%0.73476%0.756SS**  trans-160.3103.815955.40000114.2
112Q32.8Very low35.8Very low193 Ų193139.8 Ų139.890%0.90275%0.746SS**  trans51.8139142.1-59.5179.6200122
113A32.6Very low36.8Very low92 Ų92138.8 Ų138.876%0.7675%0.748SS**  trans-74.4177.4166.300000110.9
114P45.9Very low37.9Very low117 Ų117140.6 Ų140.676%0.7674%0.738SS**  cis-149.1169.121.645.2-25.9000120.4
115D40.1Very low39.1Very low141 Ų141137.6 Ų137.675%0.75473%0.73SS**  trans62.4165.5150.6-126.1-13.4000120.2
116D34.8Very low40.3Very low160 Ų160135.9 Ų135.986%0.85672%0.723SS**  trans64141.5-174.6-54.1-34.8000114.8
117G34.3Very low41.6Very low67 Ų67137.1 Ų137.169%0.69172%0.718SS**  cis-165162.6-5.300000110.8E119G117-E119 PolarHBondContact O-N 3.42Å
118E41.8Very low42.7Very low208 Ų208140.2 Ų140.297%0.97272%0.72SS**  trans-74.586.3-164.5-62.8175.9-170.500115.4
119E44.5Very low43.9Very low173 Ų173132.8 Ų132.881%0.80870%0.704SS**  trans-128-7.9170.3-68.8-166.6165.200115.7G117G117-E119 PolarHBondContact O-N 3.42Å
120E41.6Very low45.6Very low134 Ų134132.4 Ų132.463%0.62669%0.693SS**Hα-helixtrans-85-13-167.9-133.5-147.2167.100116.1K124E120-K124 WeakPolarHBondContact OE1-CE 3.45Å; E120-K124 IonicContact OE1-NZ 2.87Å; E120-K124 PolarHBondContact OE1-NZ 3.01Å; E120-K124 IonicContact OE2-NZ 2.8Å; E120-K124 PolarHBondContact OE2-NZ 3.18Å
121E45.4Very low46.6Very low137 Ų137134.2 Ų134.264%0.6469%0.689SS**Hα-helixtrans-73.7-43.9-177.9-88.4-132.5147.600113.3K124 K125E121-K124 PolarHBondContact O-N 3.17Å; E121-K125 WeakPolarHBondContact O-CG 3.47Å; E121-K125 PolarHBondContact O-N 2.82Å; E121-K125 WeakPolarHBondContact OE2-CE 3.25Å; E121-K125 IonicContact OE2-NZ 3.23Å; E121-K125 PolarHBondContact OE2-NZ 3.4Å
122D49Very low48.1Very low107 Ų107134.7 Ų134.757%0.57268%0.683SS**Hα-helixtrans-78.7-26.4-167.7-68.4-31.5000112.9K124 K125 R126D122-K124 VanDerWaalsContact C-N 3.33Å; D122-K125 PolarHBondContact O-N 3.37Å; D122-K125 WeakPolarHBondContact OD1-CD 3.37Å; D122-K125 IonicContact OD1-NZ 2.77Å; D122-K125 PolarHBondContact OD1-NZ 2.94Å; D122-R126 WeakPolarHBondContact O-CB 3.37Å; D122-R126 PolarHBondContact O-N 3.14Å
123V50.5Low49.7Very low99 Ų99131.4 Ų131.460%0.667%0.668SS**Hα-helixtrans-59.1-47.3166-175.90000110K125 R126 E127V123-K125 PolarHBondContact O-N 3.26Å; V123-R126 PolarHBondContact O-N 3.06Å; V123-E127 WeakPolarHBondContact O-CB 3.34Å; V123-E127 PolarHBondContact O-N 3.21Å
124K51.7Low51.8Low101 Ų101131.5 Ų131.544%0.43965%0.652SS.*Hα-helixtrans-68.5-30.4-179.7-69.4173.9-177.8173.60112.9E120 E121 D122 K128E120-K124 WeakPolarHBondContact OE1-CE 3.45Å; E120-K124 IonicContact OE1-NZ 2.87Å; E120-K124 PolarHBondContact OE1-NZ 3.01Å; E120-K124 IonicContact OE2-NZ 2.8Å; E120-K124 PolarHBondContact OE2-NZ 3.18Å; E121-K124 PolarHBondContact O-N 3.17Å; D122-K124 VanDerWaalsContact C-N 3.33Å; K124-K128 WeakPolarHBondContact O-CB 3.39Å; K124-K128 PolarHBondContact O-N 3.33Å; K124-K128 VanDerWaalsContact O-N 3.15Å
125K55.4Low53.5Low105 Ų105132.7 Ų132.746%0.45765%0.645SS.*Hα-helixtrans-69.9-44.8170.6-68.5170.8-158.7149.10111.7E121 D122 V123 K128 S129E121-K125 WeakPolarHBondContact O-CG 3.47Å; E121-K125 PolarHBondContact O-N 2.82Å; E121-K125 WeakPolarHBondContact OE2-CE 3.25Å; E121-K125 IonicContact OE2-NZ 3.23Å; E121-K125 PolarHBondContact OE2-NZ 3.4Å; D122-K125 PolarHBondContact O-N 3.37Å; D122-K125 WeakPolarHBondContact OD1-CD 3.37Å; D122-K125 IonicContact OD1-NZ 2.77Å; D122-K125 PolarHBondContact OD1-NZ 2.94Å; V123-K125 PolarHBondContact O-N 3.26Å; K125-K128 PolarHBondContact O-N 2.89Å; K125-S129 WeakPolarHBondContact O-CB 3.32Å; K125-S129 PolarHBondContact O-N 2.78Å
126R55.3Low55.2Low185 Ų185133.6 Ų133.670%0.69864%0.643SS**Hα-helixtrans-63.2-43.6178.7-170.3172.3-178.6168.40.4111.9D122 V123 S129 Q130D122-R126 WeakPolarHBondContact O-CB 3.37Å; D122-R126 PolarHBondContact O-N 3.14Å; V123-R126 PolarHBondContact O-N 3.06Å; R126-S129 WeakPolarHBondContact O-CB 3.46Å; R126-S129 PolarHBondContact O-N 2.95Å; R126-Q130 PolarHBondContact O-N 2.85Å
127E54.5Low57.5Low128 Ų128131.1 Ų131.160%0.59862%0.624SS**Hα-helixtrans-66.5-41.9177.3-168.1-178.9-156.500112.2V123 S129 Q130 R131V123-E127 WeakPolarHBondContact O-CB 3.34Å; V123-E127 PolarHBondContact O-N 3.21Å; E127-S129 VanDerWaalsContact C-N 3.31Å; E127-S129 PolarHBondContact O-N 3.24Å; E127-Q130 PolarHBondContact O-N 2.67Å; E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 PolarHBondContact O-N 3.32Å
128K53.2Low59.6Low160 Ų160133 Ų13370%0.69662%0.615SS**Hα-helixtrans-59-40.7170.7-100.8-176.6173.61790112.5K124 K125 R131 N132K124-K128 WeakPolarHBondContact O-CB 3.39Å; K124-K128 PolarHBondContact O-N 3.33Å; K124-K128 VanDerWaalsContact O-N 3.15Å; K125-K128 PolarHBondContact O-N 2.89Å; K128-R131 PolarHBondContact O-N 2.93Å; K128-N132 WeakPolarHBondContact O-CB 3.42Å; K128-N132 PolarHBondContact O-N 3.38Å
129S58.1Low61.2Low80 Ų80132.3 Ų132.356%0.55960%0.604SS**Hα-helixtrans-63.3-48.7178.5-170.40000111.4K125 R126 E127 R131 N132 H133K125-S129 WeakPolarHBondContact O-CB 3.32Å; K125-S129 PolarHBondContact O-N 2.78Å; R126-S129 WeakPolarHBondContact O-CB 3.46Å; R126-S129 PolarHBondContact O-N 2.95Å; E127-S129 VanDerWaalsContact C-N 3.31Å; E127-S129 PolarHBondContact O-N 3.24Å; S129-R131 PolarHBondContact O-N 3.44Å; S129-N132 PolarHBondContact O-N 3.2Å; S129-H133 PolarHBondContact O-N 3Å
130Q61.7Low62.4Low127 Ų127127 Ų12759%0.59359%0.586SS**Hα-helixtrans-61.5-42.9175.9-72.7179.8-35.600112.2R126 E127 N132 H133 E134R126-Q130 PolarHBondContact O-N 2.85Å; E127-Q130 PolarHBondContact O-N 2.67Å; Q130-N132 VanDerWaalsContact C-N 3.31Å; Q130-N132 PolarHBondContact O-N 3.45Å; Q130-H133 PolarHBondContact O-N 3.45Å; Q130-E134 PolarHBondContact O-N 3.11Å
131R63.8Low64.4Low200 Ų200125.7 Ų125.776%0.75558%0.578SS**Hα-helixtrans-64.6-32.8176.8-167.2172.5-176.7177.21.2112.9E127 K128 S129 K135E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 PolarHBondContact O-N 3.32Å; K128-R131 PolarHBondContact O-N 2.93Å; S129-R131 PolarHBondContact O-N 3.44Å; R131-K135 VanDerWaalsContact O-CB 3.31Å; R131-K135 WeakPolarHBondContact O-CB 3.36Å; R131-K135 PolarHBondContact O-N 3.04Å
132N63.8Low66.2Low114 Ų114122 Ų12261%0.6157%0.571SS**Hα-helixtrans-72.6-38.3171.8-87.6-7.8000112.5K128 S129 Q130 K135 K136K128-N132 WeakPolarHBondContact O-CB 3.42Å; K128-N132 PolarHBondContact O-N 3.38Å; S129-N132 PolarHBondContact O-N 3.2Å; Q130-N132 VanDerWaalsContact C-N 3.31Å; Q130-N132 PolarHBondContact O-N 3.45Å; N132-K135 PolarHBondContact O-N 3.24Å; N132-K136 WeakPolarHBondContact O-CB 3.33Å; N132-K136 PolarHBondContact O-N 3.11Å
133H65Low67.6Low124 Ų124122.5 Ų122.557%0.57457%0.571SS**Hα-helixtrans-63.5-46.8175.3-173.587.2000111.3S129 Q130 K135 K136 K137S129-H133 PolarHBondContact O-N 3Å; Q130-H133 PolarHBondContact O-N 3.45Å; H133-K135 PolarHBondContact O-N 3.46Å; H133-K136 PolarHBondContact O-N 3.34Å; H133-K137 WeakPolarHBondContact O-CB 3.14Å; H133-K137 PolarHBondContact O-N 3.38Å
134E78.4Confident69Low94 Ų94123.5 Ų123.544%0.43957%0.57SS.*Hα-helixtrans-58.6-48173.8-169.957.9-135.100110.9Q130 K136 K137 Q138Q130-E134 PolarHBondContact O-N 3.11Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 PolarHBondContact O-N 3.3Å; E134-K137 PolarHBondContact O-N 3.14Å; E134-K137 VanDerWaalsContact O-N 3.12Å; E134-Q138 WeakPolarHBondContact O-CG 3.2Å; E134-Q138 PolarHBondContact O-N 2.99Å; E134-Q138 PolarHBondContact OE1-NE2 3.19Å
135K79.8Confident70.5Confident142 Ų142126.2 Ų126.262%0.61758%0.581SS**Hα-helixtrans-61.7-33.5176.8-166.8176.2-177.7-175.90112.9R131 N132 H133 R139R131-K135 VanDerWaalsContact O-CB 3.31Å; R131-K135 WeakPolarHBondContact O-CB 3.36Å; R131-K135 PolarHBondContact O-N 3.04Å; N132-K135 PolarHBondContact O-N 3.24Å; H133-K135 PolarHBondContact O-N 3.46Å; K135-R139 WeakPolarHBondContact O-CG 3.5Å; K135-R139 PolarHBondContact O-N 3.03Å; K135-R139 VanDerWaalsContact O-N 3.09Å
136K77.1Confident71.6Confident161 Ų161127 Ų12770%0.759%0.59SS**Hα-helixtrans-68.6-43.6173.1-168.9177.5-179.5-176.60111.1N132 H133 E134 Q138 R139 S140N132-K136 WeakPolarHBondContact O-CB 3.33Å; N132-K136 PolarHBondContact O-N 3.11Å; H133-K136 PolarHBondContact O-N 3.34Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 PolarHBondContact O-N 3.3Å; K136-Q138 VanDerWaalsContact C-N 3.35Å; K136-Q138 PolarHBondContact O-N 2.73Å; K136-R139 PolarHBondContact O-N 2.65Å; K136-S140 PolarHBondContact O-N 2.71Å
137K83Confident72.6Confident107 Ų107125.2 Ų125.247%0.46559%0.587SS.*Hα-helixtrans-65.7-32.8178.3-165.4171.1-173.1171.70113.2H133 E134 S140 K141H133-K137 WeakPolarHBondContact O-CB 3.14Å; H133-K137 PolarHBondContact O-N 3.38Å; E134-K137 PolarHBondContact O-N 3.14Å; E134-K137 VanDerWaalsContact O-N 3.12Å; K137-S140 PolarHBondContact O-OG 3.24Å; K137-K141 WeakPolarHBondContact O-CG 3.45Å; K137-K141 PolarHBondContact O-N 3.18Å
138Q77.9Confident73.7Confident107 Ų107127 Ų12750%0.559%0.593SS.*Hα-helixtrans-74-37171.4-61.7-62.8-20.600111.9E134 K136 A142E134-Q138 WeakPolarHBondContact O-CG 3.2Å; E134-Q138 PolarHBondContact O-N 2.99Å; E134-Q138 PolarHBondContact OE1-NE2 3.19Å; K136-Q138 VanDerWaalsContact C-N 3.35Å; K136-Q138 PolarHBondContact O-N 2.73Å; Q138-A142 WeakPolarHBondContact O-CB 3.38Å; Q138-A142 PolarHBondContact O-N 2.75Å
139R76.4Confident74.8Confident193 Ų193124.6 Ų124.673%0.72858%0.582SS**Hα-helixtrans-66.6-38.9173.5-76.5-171.680.6-164.35.4112.9K135 K136 A142 M143K135-R139 WeakPolarHBondContact O-CG 3.5Å; K135-R139 PolarHBondContact O-N 3.03Å; K135-R139 VanDerWaalsContact O-N 3.09Å; K136-R139 PolarHBondContact O-N 2.65Å; R139-A142 PolarHBondContact O-N 2.77Å; R139-M143 PolarHBondContact O-N 2.98Å
140S68.4Low75.4Confident63 Ų63127 Ų12744%0.44158%0.583SS.*Hα-helixtrans-64.2-46.5175.462.10000111K136 K137 A142 M143 E144K136-S140 PolarHBondContact O-N 2.71Å; K137-S140 PolarHBondContact O-OG 3.24Å; S140-A142 VanDerWaalsContact C-N 3.26Å; S140-A142 PolarHBondContact O-N 2.86Å; S140-M143 PolarHBondContact O-N 2.9Å; S140-M143 VanDerWaalsContact O-N 3.14Å; S140-E144 VanDerWaalsContact O-CB 3.3Å; S140-E144 WeakPolarHBondContact O-CB 3.31Å; S140-E144 PolarHBondContact O-N 3.47Å
141K84.4Confident75.7Confident106 Ų106129.2 Ų129.246%0.46159%0.59SS.*Hα-helixtrans-62.1-28.9174.4-73.9-172.8171.9-161.10114.1K137 K145K137-K141 WeakPolarHBondContact O-CG 3.45Å; K137-K141 PolarHBondContact O-N 3.18Å; K141-K145 WeakPolarHBondContact O-CB 3.34Å; K141-K145 VanDerWaalsContact O-CG 3.31Å; K141-K145 WeakPolarHBondContact O-CG 3.25Å; K141-K145 PolarHBondContact O-N 2.83Å
142A82.1Confident75.8Confident60 Ų60122.1 Ų122.150%0.49658%0.575SS.*Hα-helixtrans-72.8-42.6172.900000111.9Q138 R139 S140 K145 L146Q138-A142 WeakPolarHBondContact O-CB 3.38Å; Q138-A142 PolarHBondContact O-N 2.75Å; R139-A142 PolarHBondContact O-N 2.77Å; S140-A142 VanDerWaalsContact C-N 3.26Å; S140-A142 PolarHBondContact O-N 2.86Å; A142-K145 PolarHBondContact O-N 3.25Å; A142-L146 WeakPolarHBondContact O-CB 3.39Å; A142-L146 PolarHBondContact O-N 2.92Å
143M79.1Confident75.2Confident116 Ų116121 Ų12157%0.57157%0.566SS**Hα-helixtrans-68.6-38.1176.1-172.9-120.6-82.800112.1R139 S140 L146 K147R139-M143 PolarHBondContact O-N 2.98Å; S140-M143 PolarHBondContact O-N 2.9Å; S140-M143 VanDerWaalsContact O-N 3.14Å; M143-L146 CarbonylContact O-C 3.53Å; M143-L146 WeakPolarHBondContact O-CB 3.37Å; M143-L146 PolarHBondContact O-N 3.47Å; M143-L146 VanDerWaalsContact O-N 3.13Å; M143-K147 PolarHBondContact O-N 3.06Å; M143-K147 HydrophobicContact SD-CD 4.5Å
144E80.1Confident74.7Confident121 Ų121123.1 Ų123.157%0.56557%0.569SS**Hα-helixtrans-57.7-47.6171.9-175.2-163.3149.300111.2S140 L146 K147 K148S140-E144 VanDerWaalsContact O-CB 3.3Å; S140-E144 WeakPolarHBondContact O-CB 3.31Å; S140-E144 PolarHBondContact O-N 3.47Å; E144-L146 VanDerWaalsContact C-N 3.33Å; E144-L146 PolarHBondContact O-N 3.12Å; E144-K147 PolarHBondContact O-N 3.45Å; E144-K148 WeakPolarHBondContact O-CB 3.38Å; E144-K148 PolarHBondContact O-N 2.72Å
145K83.1Confident72.9Confident157 Ų157126.6 Ų126.668%0.68358%0.583SS**Hα-helixtrans-64.5-34.5173.1-75.7-179.6176.7-167.20113.1K141 A142 K149K141-K145 WeakPolarHBondContact O-CB 3.34Å; K141-K145 VanDerWaalsContact O-CG 3.31Å; K141-K145 WeakPolarHBondContact O-CG 3.25Å; K141-K145 PolarHBondContact O-N 2.83Å; A142-K145 PolarHBondContact O-N 3.25Å; K145-K149 WeakPolarHBondContact O-CB 3.48Å; K145-K149 PolarHBondContact O-N 2.78Å
146L78.1Confident71Confident121 Ų121124.7 Ų124.763%0.63459%0.586SS**Hα-helixtrans-69.5-43.7175.8-167.869.7000111.5A142 M143 E144 K149 K150A142-L146 WeakPolarHBondContact O-CB 3.39Å; A142-L146 PolarHBondContact O-N 2.92Å; M143-L146 CarbonylContact O-C 3.53Å; M143-L146 WeakPolarHBondContact O-CB 3.37Å; M143-L146 PolarHBondContact O-N 3.47Å; M143-L146 VanDerWaalsContact O-N 3.13Å; E144-L146 VanDerWaalsContact C-N 3.33Å; E144-L146 PolarHBondContact O-N 3.12Å; L146-K149 PolarHBondContact O-N 3.08Å; L146-K150 PolarHBondContact O-N 3.13Å
147K76.4Confident69.4Low148 Ų148124.6 Ų124.664%0.64359%0.588SS**Hα-helixtrans-61.3-42.7171.9-77.3-158.3172.3-159.20111.2M143 E144 K149 K150 K151M143-K147 PolarHBondContact O-N 3.06Å; M143-K147 HydrophobicContact SD-CD 4.5Å; E144-K147 PolarHBondContact O-N 3.45Å; K147-K149 VanDerWaalsContact C-N 3.29Å; K147-K149 PolarHBondContact O-N 3.44Å; K147-K150 PolarHBondContact O-N 3.05Å; K147-K151 WeakPolarHBondContact O-CB 3.14Å; K147-K151 PolarHBondContact O-N 3.24Å
148K77.4Confident67.4Low166 Ų166127.4 Ų127.472%0.72260%0.603SS**Hα-helixtrans-68.5-26.7177.1-158.9158.3-170.9163.20113E144 A152E144-K148 WeakPolarHBondContact O-CB 3.38Å; E144-K148 PolarHBondContact O-N 2.72Å; K148-A152 WeakPolarHBondContact O-CB 3.49Å; K148-A152 PolarHBondContact O-N 3.07Å
149K76.5Confident65.8Low109 Ų109131.1 Ų131.147%0.47462%0.621SS.*Hα-helixtrans-75.7-45.4169-169.1177.4171.3-77.40112K145 L146 K147 K151 A152 E153K145-K149 WeakPolarHBondContact O-CB 3.48Å; K145-K149 PolarHBondContact O-N 2.78Å; L146-K149 PolarHBondContact O-N 3.08Å; K147-K149 VanDerWaalsContact C-N 3.29Å; K147-K149 PolarHBondContact O-N 3.44Å; K149-K151 VanDerWaalsContact C-N 3.27Å; K149-K151 PolarHBondContact O-N 2.79Å; K149-A152 CarbonylContact O-C 3.51Å; K149-A152 WeakPolarHBondContact O-CA 3.41Å; K149-A152 PolarHBondContact O-N 3.19Å; K149-E153 HydrophobicContact CG-CG 4.48Å; K149-E153 WeakPolarHBondContact CG-OE2 3.48Å; K149-E153 IonicContact NZ-OE1 2.65Å; K149-E153 PolarHBondContact NZ-OE1 3.19Å; K149-E153 IonicContact NZ-OE2 2.66Å; K149-E153 PolarHBondContact NZ-OE2 2.99Å; K149-E153 PolarHBondContact O-N 2.83Å
150K70.9Confident64.1Low132 Ų132130.7 Ų130.757%0.57463%0.627SS**Hα-helixtrans-61.8-31.4174.7-165.8176.6-177.2-177.60112.3L146 K147 R154L146-K150 PolarHBondContact O-N 3.13Å; K147-K150 PolarHBondContact O-N 3.05Å; K150-R154 WeakPolarHBondContact O-CB 3.28Å; K150-R154 PolarHBondContact O-N 2.9Å
151K67.9Low62.2Low172 Ų172134.6 Ų134.675%0.74864%0.643SS**Hα-helixtrans-77-23.8171.2-174.6163.8-178168.90113.5K147 K149K147-K151 WeakPolarHBondContact O-CB 3.14Å; K147-K151 PolarHBondContact O-N 3.24Å; K149-K151 VanDerWaalsContact C-N 3.27Å; K149-K151 PolarHBondContact O-N 2.79Å
152A65.5Low59.9Low52 Ų52133.8 Ų133.843%0.4367%0.665SS.*Hα-helixtrans-81.2-39.217300000112K148 K149 F155 C156K148-A152 WeakPolarHBondContact O-CB 3.49Å; K148-A152 PolarHBondContact O-N 3.07Å; K149-A152 CarbonylContact O-C 3.51Å; K149-A152 WeakPolarHBondContact O-CA 3.41Å; K149-A152 PolarHBondContact O-N 3.19Å; A152-F155 CarbonylContact O-C 3.51Å; A152-F155 PolarHBondContact O-N 2.86Å; A152-F155 VanDerWaalsContact O-N 3.09Å; A152-C156 PolarHBondContact O-N 3.14Å; A152-C156 PolarHBondContact O-SG 2.91Å; A152-C156 VanDerWaalsContact O-SG 3.42Å
153E52.4Low57.5Low89 Ų89135 Ų13542%0.41667%0.674SS.*Hα-helixtrans-65.7-43.4175.6-72173.7133.300111K149 F155 C156K149-E153 HydrophobicContact CG-CG 4.48Å; K149-E153 WeakPolarHBondContact CG-OE2 3.48Å; K149-E153 IonicContact NZ-OE1 2.65Å; K149-E153 PolarHBondContact NZ-OE1 3.19Å; K149-E153 IonicContact NZ-OE2 2.66Å; K149-E153 PolarHBondContact NZ-OE2 2.99Å; K149-E153 PolarHBondContact O-N 2.83Å; E153-F155 PolarHBondContact O-N 3.45Å; E153-C156 PolarHBondContact O-N 2.86Å
154R52.8Low55.7Low170 Ų170137.3 Ų137.364%0.64269%0.688SS**THydrogen-bonded Turntrans-68.24.5171.2-144.8-161.3-56.1-153.77.1114.7K150K150-R154 WeakPolarHBondContact O-CB 3.28Å; K150-R154 PolarHBondContact O-N 2.9Å
155F41.2Very low53.6Low167 Ų167137.1 Ų137.173%0.73270%0.698SS**THydrogen-bonded Turntrans-116.912.8172.3-160.6-96.8000111.1A152 E153A152-F155 CarbonylContact O-C 3.51Å; A152-F155 PolarHBondContact O-N 2.86Å; A152-F155 VanDerWaalsContact O-N 3.09Å; E153-F155 PolarHBondContact O-N 3.45Å
156C41.2Very low51.4Low102 Ų102135.9 Ų135.969%0.68970%0.703SS**SBendtrans-126.67.2173-61.50000112.1A152 E153A152-C156 PolarHBondContact O-N 3.14Å; A152-C156 PolarHBondContact O-SG 2.91Å; A152-C156 VanDerWaalsContact O-SG 3.42Å; E153-C156 PolarHBondContact O-N 2.86Å
157E42.1Very low49.1Very low158 Ų158135.9 Ų135.974%0.73871%0.708SS**SBendtrans-109.96.4-179.2-69.5175.515300112.3
158E41.6Very low46.8Very low167 Ų167136.3 Ų136.378%0.7872%0.716SS**SBendtrans-109.210.6178.4-64.9-177142.700113.2
159E44.7Very low45.1Very low185 Ų185136.5 Ų136.586%0.86473%0.725SS**SBendtrans-135.538.3-174.1-155.8177.8-146.800113.7
160E39.7Very low42.9Very low183 Ų183138.5 Ų138.586%0.85574%0.741SS**SBendtrans-153.1160.1165.5-139167.8-163.700113.3
161D29.1Very low41.4Very low146 Ų146137.9 Ų137.978%0.78175%0.753SS**  trans59.378.5170.4-80.2-17.7000120.8
162G35.2Very low39.8Very low89 Ų89132.7 Ų132.792%0.91875%0.748SS**  trans-91.478.2147.500000112.9
163A31.6Very low38.3Very low85 Ų85136.5 Ų136.570%0.70277%0.77SS**  trans-156.6123.2170.800000114.5
164L41.2Very low38.3Very low164 Ų164137.5 Ų137.586%0.85979%0.785SS**  trans-91.1142.2176.1-66.4173.4000113
165P36.3Very low37.3Very low118 Ų118138 Ų13877%0.76680%0.799SS**  trans-104.2102.2161.534.2-26.4000112
166V36.7Very low36.8Very low131 Ų131133.1 Ų133.179%0.79480%0.796SS**  trans-95.5123.4172.6176.60000111.1
167V30.2Very low36.4Very low121 Ų121136.1 Ų136.173%0.73381%0.805SS**  trans-158.9129.5173.6-97.30000107.8
168L28Very low36.7Very low156 Ų156135 Ų13582%0.81781%0.812SS**  cis-139.8155.80.5-79.3163.3000109.5
169N42.7Very low36.8Very low171 Ų171134.1 Ų134.191%0.91481%0.812SS**  trans-130.2128.5157.5-134-6.3000106.9
170D29.9Very low36.6Very low150 Ų150132.3 Ų132.380%0.80281%0.807SS**  trans-134.6102.2-177.1-173.111.8000112.7
171S39.8Very low36.3Very low120 Ų120131.7 Ų131.784%0.83980%0.802SS**  trans-152.257.3160.365.10000108.6
172G34.5Very low37Very low62 Ų62131.9 Ų131.964%0.63980%0.803SS**  trans-79.1173.8-161.400000117.3
173C32.8Very low37.1Very low132 Ų132134.2 Ų134.289%0.89280%0.8SS**  trans-152.5158.6148.5-106.20000109.3
174P52Low37.2Very low111 Ų111133.1 Ų133.172%0.72180%0.797SS**  trans-103-172-160.840.8-37.6000115
175L32.8Very low36.9Very low180 Ų180133.7 Ų133.794%0.94280%0.8SS**  trans84.9138.3-176.4-48.7174.6000113.2
176G31.8Very low36.8Very low64 Ų64131.6 Ų131.666%0.6679%0.792SS**  cis160.7142.1-6.800000112.5
177D32.5Very low37.2Very low165 Ų165132.2 Ų132.288%0.88279%0.791SS**  trans75.2112.7170.5-53.9-18.7000118.5
178P46.7Very low37.7Very low136 Ų136134.4 Ų134.488%0.88380%0.799SS**  trans-116.889.4170.737-23.2000112.6
179D44.2Very low38.5Very low147 Ų147134.9 Ų134.979%0.78680%0.797SS**  trans-162.6104168.6-1718.7000111
180L40.9Very low38.9Very low147 Ų147135.8 Ų135.877%0.7780%0.796SS**  trans-162.155.9173.7-14571000116.3
181F33.6Very low39.8Very low170 Ų170137.4 Ų137.475%0.74680%0.798SS**  trans69.9141.7164.6-41.9-70.3000116.9
182D43.8Very low40.2Very low151 Ų151138.7 Ų138.781%0.80779%0.791SS**  cis73.170.96.6-161.121000118.1
183T37.2Very low41Very low138 Ų138142.9 Ų142.985%0.84779%0.794SS**  trans-161.9134.9150.550.30000107.7
184G34.3Very low41.7Very low61 Ų61144.6 Ų144.663%0.62979%0.789SS**  cis-160.2156.3-1000000107.8
185L34.8Very low41.7Very low177 Ų177142.7 Ų142.793%0.92778%0.778SS**  47.7123.694.6-67.3174.5000114.3
186A33.7Very low42.5Very low73 Ų73138.2 Ų138.260%0.60376%0.755SS**  cis-165.2167.94.900000112.8
187D44.5Very low43.8Very low144 Ų144139.9 Ų139.977%0.7775%0.748SS**  trans40.5110.1151.8-47.3-17.6000119.5
188D42Very low45.4Very low168 Ų168135 Ų13590%0.89873%0.731SS**  trans172.465.2133.2-86.1-19.7000112.2
189E44.9Very low46.1Very low166 Ų166133 Ų13378%0.77671%0.712SS**  trans-128-3179.1-71-178.9170.700114.8E191E189-E191 VanDerWaalsContact C-N 3.32Å; E189-E191 PolarHBondContact O-N 3.39Å
190E49.5Very low47.5Very low190 Ų190132 Ų13289%0.88870%0.697SS**THydrogen-bonded Turntrans-79.1-5.1-168.8-144.2174.7-140.800114.7
191E49.1Very low48.9Very low184 Ų184127.5 Ų127.586%0.8668%0.682SS**THydrogen-bonded Turntrans-99.1-15.5177.9-64.2-160.6157.700114.5E189E189-E191 VanDerWaalsContact C-N 3.32Å; E189-E191 PolarHBondContact O-N 3.39Å
192E49.5Very low50.5Low146 Ų146122.2 Ų122.268%0.68267%0.67SS**THydrogen-bonded Turntrans-83-29.7-177.1-62.1-160.6152.600113.8E194 S195 L196E192-E194 VanDerWaalsContact C-N 3.35Å; E192-E194 PolarHBondContact O-N 2.84Å; E192-S195 WeakPolarHBondContact O-CB 3.28Å; E192-S195 PolarHBondContact O-N 2.71Å; E192-S195 VanDerWaalsContact O-N 3.16Å; E192-L196 PolarHBondContact O-N 2.83Å
193E49.5Very low51.9Low151 Ų151118.3 Ų118.371%0.70665%0.651SS**Hα-helixtrans-62.7-36.1-176-66.5-156.3140.100113.4S195 L196 D197E193-S195 VanDerWaalsContact C-N 3.3Å; E193-S195 PolarHBondContact O-N 2.94Å; E193-L196 PolarHBondContact O-N 2.82Å; E193-D197 PolarHBondContact O-N 2.83Å
194E48.6Very low53.3Low168 Ų168120.8 Ų120.879%0.78565%0.645SS**Hα-helixtrans-67.9-29.4178.4-66.4-155.9148.700112.4E192 A198E192-E194 VanDerWaalsContact C-N 3.35Å; E192-E194 PolarHBondContact O-N 2.84Å; E194-A198 PolarHBondContact O-N 3.14Å
195S52.2Low54.5Low70 Ų70123.5 Ų123.549%0.4964%0.642SS.*Hα-helixtrans-68.2-45.7177.1-171.40000111.4E192 E193 D197 A198 I199E192-S195 WeakPolarHBondContact O-CB 3.28Å; E192-S195 PolarHBondContact O-N 2.71Å; E192-S195 VanDerWaalsContact O-N 3.16Å; E193-S195 VanDerWaalsContact C-N 3.3Å; E193-S195 PolarHBondContact O-N 2.94Å; S195-D197 VanDerWaalsContact C-N 3.3Å; S195-D197 PolarHBondContact O-N 2.84Å; S195-A198 WeakPolarHBondContact O-CB 3.44Å; S195-A198 PolarHBondContact O-N 3.5Å; S195-I199 WeakPolarHBondContact O-CG1 3.38Å; S195-I199 PolarHBondContact O-N 2.99Å
196L48.2Very low55.6Low87 Ų87119.2 Ų119.246%0.45562%0.616SS.*Hα-helixtrans-63.9-34.5179.6-63.6177.8000112.3E192 E193 I199 R200E192-L196 PolarHBondContact O-N 2.83Å; E193-L196 PolarHBondContact O-N 2.82Å; L196-I199 PolarHBondContact O-N 3.29Å; L196-R200 WeakPolarHBondContact O-CB 3.44Å; L196-R200 VanDerWaalsContact O-CG 3.31Å; L196-R200 WeakPolarHBondContact O-CG 3.49Å; L196-R200 PolarHBondContact O-N 3.26Å
197D59.2Low56.6Low98 Ų98121.3 Ų121.352%0.52462%0.615SS.*Hα-helixtrans-74.5-31.5175.3-113.534.2000113.2E193 S195 I199 R200 A201E193-D197 PolarHBondContact O-N 2.83Å; S195-D197 VanDerWaalsContact C-N 3.3Å; S195-D197 PolarHBondContact O-N 2.84Å; D197-I199 VanDerWaalsContact C-N 3.35Å; D197-R200 PolarHBondContact O-N 3.26Å; D197-R200 IonicContact OD1-CZ 2.73Å; D197-R200 IonicContact OD1-NE 2.67Å; D197-R200 PolarHBondContact OD1-NE 3.21Å; D197-R200 IonicContact OD1-NH2 2.78Å; D197-R200 PolarHBondContact OD1-NH2 3.24Å; D197-A201 VanDerWaalsContact O-CB 3.31Å; D197-A201 WeakPolarHBondContact O-CB 3.41Å; D197-A201 PolarHBondContact O-N 2.92Å
198A66.6Low56.8Low64 Ų64120.7 Ų120.753%0.52960%0.602SS.*Hα-helixtrans-62.7-41.1168.700000111.7E194 S195 A201 A202E194-A198 PolarHBondContact O-N 3.14Å; S195-A198 WeakPolarHBondContact O-CB 3.44Å; S195-A198 PolarHBondContact O-N 3.5Å; A198-A201 PolarHBondContact O-N 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.2Å; A198-A202 PolarHBondContact O-N 2.93Å
199I62.7Low57Low94 Ų94117 Ų11748%0.48258%0.582SS.*Hα-helixtrans-65.4-47.9175-66.2164.5000110.7S195 L196 D197 A201 A202 V203S195-I199 WeakPolarHBondContact O-CG1 3.38Å; S195-I199 PolarHBondContact O-N 2.99Å; L196-I199 PolarHBondContact O-N 3.29Å; D197-I199 VanDerWaalsContact C-N 3.35Å; I199-A201 VanDerWaalsContact C-N 3.28Å; I199-A201 PolarHBondContact O-N 3.1Å; I199-A202 PolarHBondContact O-N 3.39Å; I199-A202 VanDerWaalsContact O-N 3.14Å; I199-V203 WeakPolarHBondContact O-CG2 3.43Å; I199-V203 PolarHBondContact O-N 3.25Å
200R73.3Confident57Low124 Ų124115.2 Ų115.247%0.46857%0.574SS.*Hα-helixtrans-60.1-35.2176.3-73.3-176.5-73.7-112.15.7112.4L196 D197 R204L196-R200 WeakPolarHBondContact O-CB 3.44Å; L196-R200 VanDerWaalsContact O-CG 3.31Å; L196-R200 WeakPolarHBondContact O-CG 3.49Å; L196-R200 PolarHBondContact O-N 3.26Å; D197-R200 PolarHBondContact O-N 3.26Å; D197-R200 IonicContact OD1-CZ 2.73Å; D197-R200 IonicContact OD1-NE 2.67Å; D197-R200 PolarHBondContact OD1-NE 3.21Å; D197-R200 IonicContact OD1-NH2 2.78Å; D197-R200 PolarHBondContact OD1-NH2 3.24Å; R200-R204 WeakPolarHBondContact O-CG 3.29Å; R200-R204 PolarHBondContact O-N 3.43Å
201A69Low56.8Low54 Ų54114.4 Ų114.445%0.44657%0.57SS.*Hα-helixtrans-71.1-41.6173.200000112.7D197 A198 I199 R204 M205D197-A201 VanDerWaalsContact O-CB 3.31Å; D197-A201 WeakPolarHBondContact O-CB 3.41Å; D197-A201 PolarHBondContact O-N 2.92Å; A198-A201 PolarHBondContact O-N 3.29Å; I199-A201 VanDerWaalsContact C-N 3.28Å; I199-A201 PolarHBondContact O-N 3.1Å; A201-R204 PolarHBondContact O-N 3.42Å; A201-M205 PolarHBondContact O-N 3.15Å; A201-M205 VanDerWaalsContact O-N 3.09Å
202A68.2Low56.7Low59 Ų59111.7 Ų111.749%0.48856%0.557SS.*Hα-helixtrans-62.9-44.8178.100000112.1A198 I199 R204 M205 K206A198-A202 WeakPolarHBondContact O-CB 3.2Å; A198-A202 PolarHBondContact O-N 2.93Å; I199-A202 PolarHBondContact O-N 3.39Å; I199-A202 VanDerWaalsContact O-N 3.14Å; A202-R204 PolarHBondContact O-N 2.92Å; A202-M205 PolarHBondContact O-N 2.97Å; A202-K206 WeakPolarHBondContact O-CB 3.36Å; A202-K206 PolarHBondContact O-N 3.17Å
203V72.7Confident56.3Low68 Ų68112.4 Ų112.441%0.41256%0.56SS.*Hα-helixtrans-59.1-45.8176.1171.90000111.2I199 M205 K206 M207I199-V203 WeakPolarHBondContact O-CG2 3.43Å; I199-V203 PolarHBondContact O-N 3.25Å; V203-M205 VanDerWaalsContact C-N 3.33Å; V203-M205 PolarHBondContact O-N 2.91Å; V203-K206 PolarHBondContact O-N 2.97Å; V203-K206 VanDerWaalsContact O-N 3.13Å; V203-M207 HydrophobicContact CG1-CE 3.66Å; V203-M207 HydrophobicContact CG1-SD 3.95Å; V203-M207 WeakPolarHBondContact O-CG 2.9Å; V203-M207 PolarHBondContact O-N 3.03Å
204R67.6Low56Low190 Ų190113.8 Ų113.872%0.71757%0.567SS**Hα-helixtrans-63.6-33.9178.2-74.3174173.7171.3-0.2113.3R200 A201 A202 R208R200-R204 WeakPolarHBondContact O-CG 3.29Å; R200-R204 PolarHBondContact O-N 3.43Å; A201-R204 PolarHBondContact O-N 3.42Å; A202-R204 PolarHBondContact O-N 2.92Å; R204-R208 PolarHBondContact O-N 3.26Å
205M58.5Low55.9Low119 Ų119115.2 Ų115.259%0.58657%0.574SS**Hα-helixtrans-73.7-35.5172.5-69.6-68.1-117.100112.3A201 A202 V203 R208 N209A201-M205 PolarHBondContact O-N 3.15Å; A201-M205 VanDerWaalsContact O-N 3.09Å; A202-M205 PolarHBondContact O-N 2.97Å; V203-M205 VanDerWaalsContact C-N 3.33Å; V203-M205 PolarHBondContact O-N 2.91Å; M205-R208 PolarHBondContact O-N 3.39Å; M205-N209 PolarHBondContact O-N 2.87Å; M205-N209 PolarHBondContact O-OD1 2.73Å
206K59.1Low55.6Low87 Ų87120.6 Ų120.638%0.37859%0.591SS.*Hα-helixtrans-67-43.1178.6-146170.8-172.3178.10111.8A202 V203 N209 Q210A202-K206 WeakPolarHBondContact O-CB 3.36Å; A202-K206 PolarHBondContact O-N 3.17Å; V203-K206 PolarHBondContact O-N 2.97Å; V203-K206 VanDerWaalsContact O-N 3.13Å; K206-N209 PolarHBondContact O-N 2.99Å; K206-Q210 PolarHBondContact O-N 2.66Å
207M53.3Low55.3Low116 Ų116124 Ų12457%0.57161%0.61SS**Hα-helixtrans-60.2-44.9172.5-70.6169.6169.800111.9V203 N209 Q210 E211V203-M207 HydrophobicContact CG1-CE 3.66Å; V203-M207 HydrophobicContact CG1-SD 3.95Å; V203-M207 WeakPolarHBondContact O-CG 2.9Å; V203-M207 PolarHBondContact O-N 3.03Å; M207-N209 VanDerWaalsContact C-N 3.34Å; M207-N209 PolarHBondContact O-N 3.36Å; M207-Q210 PolarHBondContact O-N 2.64Å; M207-E211 PolarHBondContact O-N 2.85Å
208R49.4Very low54.4Low131 Ų131129 Ų12949%0.49463%0.63SS.*Hα-helixtrans-65.6-34.2178.1-179.6172.1168.9-130.4-19.9113.2R204 M205 Q210 E211 E212R204-R208 PolarHBondContact O-N 3.26Å; M205-R208 PolarHBondContact O-N 3.39Å; R208-Q210 VanDerWaalsContact C-N 3.33Å; R208-E211 PolarHBondContact O-N 2.83Å; R208-E212 IonicContact CZ-OE1 2.82Å; R208-E212 IonicContact NE-OE1 2.8Å; R208-E212 PolarHBondContact NE-OE1 3.01Å; R208-E212 IonicContact NH2-OE1 3.62Å; R208-E212 PolarHBondContact NH2-OE1 3.04Å; R208-E212 IonicContact NH2-OE2 2.89Å; R208-E212 PolarHBondContact NH2-OE2 3.45Å; R208-E212 PolarHBondContact O-N 3.44Å
209N45.3Very low53.6Low90 Ų90135.4 Ų135.448%0.48165%0.649SS.*Hα-helixtrans-70.1-28.8175.6-86.645.8000112.6M205 K206 M207 E212 E213M205-N209 PolarHBondContact O-N 2.87Å; M205-N209 PolarHBondContact O-OD1 2.73Å; K206-N209 PolarHBondContact O-N 2.99Å; M207-N209 VanDerWaalsContact C-N 3.34Å; M207-N209 PolarHBondContact O-N 3.36Å; N209-E212 PolarHBondContact O-N 3.15Å; N209-E213 PolarHBondContact O-N 2.82Å
210Q45.5Very low52.2Low130 Ų130135 Ų13561%0.60766%0.66SS**Hα-helixtrans-70.2-34.1172.5-70.1-178.1-63.100112.1K206 M207 R208 E212K206-Q210 PolarHBondContact O-N 2.66Å; M207-Q210 PolarHBondContact O-N 2.64Å; R208-Q210 VanDerWaalsContact C-N 3.33Å; Q210-E212 PolarHBondContact O-N 3.5Å
211E45.4Very low50.7Low172 Ų172135.2 Ų135.280%0.80468%0.677SS**THydrogen-bonded Turntrans-72.7-7.6172.9-69.1-170.6140.100114.6M207 R208M207-E211 PolarHBondContact O-N 2.85Å; R208-E211 PolarHBondContact O-N 2.83Å
212E46.9Very low49.2Very low127 Ų127140.5 Ų140.559%0.59369%0.693SS**THydrogen-bonded Turntrans-115.51-179.8-73.6179.4-158.100113.9R208 N209 Q210R208-E212 IonicContact CZ-OE1 2.82Å; R208-E212 IonicContact NE-OE1 2.8Å; R208-E212 PolarHBondContact NE-OE1 3.01Å; R208-E212 IonicContact NH2-OE1 3.62Å; R208-E212 PolarHBondContact NH2-OE1 3.04Å; R208-E212 IonicContact NH2-OE2 2.89Å; R208-E212 PolarHBondContact NH2-OE2 3.45Å; R208-E212 PolarHBondContact O-N 3.44Å; N209-E212 PolarHBondContact O-N 3.15Å; Q210-E212 PolarHBondContact O-N 3.5Å
213E41.8Very low47.9Very low161 Ų161146.8 Ų146.875%0.75271%0.709SS**THydrogen-bonded Turntrans-115.4-3.3176.6-74-173.6159.300115.2N209N209-E213 PolarHBondContact O-N 2.82Å
214E42.9Very low46.4Very low181 Ų181149.4 Ų149.485%0.84673%0.728SS**SBendtrans-90.74.4179.2-71.6-169.5165.500115.8
215E46.4Very low45.5Very low197 Ų197150.7 Ų150.792%0.92173%0.733SS**SBendtrans-107.43.9-177.2-145.6-179.8-159.800115.2
216E45.1Very low45.1Very low184 Ų184156.7 Ų156.786%0.8675%0.748SS**SBendtrans-143.138.5-175.1-152.1174.1-161.100116.8
217D41.9Very low44.9Very low159 Ų159156.8 Ų156.885%0.8577%0.766SS**  trans-156.859.6162.8-131.1-13.4000116.9
218E41.8Very low45.2Very low201 Ų201155.1 Ų155.194%0.93976%0.756SS**  trans-128.558.7161.4-84.4-147.5148.300112.5
219E48.6Very low46.3Very low199 Ų199157.5 Ų157.593%0.9377%0.765SS**  trans-111.962161.3-161176.8174.200111.5
220A34.3Very low47.4Very low86 Ų86164.2 Ų164.271%0.71178%0.784SS**  trans-118.2133.1170.100000110.6E222A220-E222 PolarHBondContact O-N 2.83Å
221P41.5Very low48.5Very low129 Ų129161.4 Ų161.484%0.83878%0.783SS**  trans-76.8110.8-170.228.6-34.4000112.9K223P221-K223 PolarHBondContact O-N 2.84Å
222E37.6Very low49.8Very low165 Ų165155.5 Ų155.577%0.77176%0.763SS**  trans-55.7130.4167.8-95.2-143.3121.700110.9A220A220-E222 PolarHBondContact O-N 2.83Å
223K40.7Very low51.3Low190 Ų190156.4 Ų156.483%0.82676%0.761SS**  trans-61.8144.3-177.3-62.6167.9-174.8174.20110.4P221 R225P221-K223 PolarHBondContact O-N 2.84Å; K223-R225 PolarHBondContact O-N 3.47Å
224P40.3Very low53.2Low124 Ų124151.5 Ų151.581%0.80575%0.749SS**  trans-59.3115.3-176.123.9-34.1000110.8R226P224-R226 PolarHBondContact O-N 3.41Å
225R48.5Very low55.3Low217 Ų217146.4 Ų146.482%0.81973%0.733SS**  trans-55.5108177-74.4-173.2175-161.2-4109.4K223 A227K223-R225 PolarHBondContact O-N 3.47Å; R225-A227 PolarHBondContact O-N 3.35Å
226R51Low57.1Low244 Ų244146.1 Ų146.192%0.92172%0.724SS**  trans-41.8125.2-179.7-95.3180165165.1-4.9109.9P224 E228P224-R226 PolarHBondContact O-N 3.41Å; R226-E228 PolarHBondContact O-N 2.9Å
227A53.9Low59.2Low90 Ų90142.8 Ų142.874%0.74471%0.708SS**  trans-57.8114.9-178.800000109.7R225 R229R225-A227 PolarHBondContact O-N 3.35Å; A227-R229 PolarHBondContact O-N 3Å
228E59.6Low61.6Low80 Ų80137.3 Ų137.337%0.37469%0.685SS.*  trans-45.9105.4179.9-177.3-168.9178.200109.9R226 R230 A232 R233R226-E228 PolarHBondContact O-N 2.9Å; E228-R230 PolarHBondContact O-N 2.65Å; E228-A232 HydrophobicContact CG-CB 4.14Å; E228-R233 VanDerWaalsContact CD-CG 3.44Å; E228-R233 HydrophobicContact CG-CG 3.96Å; E228-R233 WeakPolarHBondContact OE1-CG 3.27Å; E228-R233 IonicContact OE2-CZ 3.29Å; E228-R233 VanDerWaalsContact OE2-CZ 3.24Å; E228-R233 IonicContact OE2-NE 2.98Å; E228-R233 PolarHBondContact OE2-NE 3.49Å; E228-R233 IonicContact OE2-NH2 2.77Å; E228-R233 PolarHBondContact OE2-NH2 2.87Å
229R74Confident64Low181 Ų181132.8 Ų132.868%0.68367%0.665SS**  trans-47.5134.9-170.2-83.8176.8155164.5-10.9109.5A227 A231 A232 D529A227-R229 PolarHBondContact O-N 3Å; R229-A231 PolarHBondContact O-N 3.04Å; R229-A232 WeakPolarHBondContact O-CB 3.4Å; R229-A232 PolarHBondContact O-N 3.11Å; R229-D529 IonicContact NH2-OD2 3.16Å; R229-D529 PolarHBondContact NH2-OD2 2.89Å
230R68.5Low66.2Low232 Ų232130.7 Ų130.788%0.87565%0.653SS**Hα-helixtrans-52.5-29.9-173.1-67179.6-178.7162.93.1112.8E228 R233 A234E228-R230 PolarHBondContact O-N 2.65Å; R230-R233 PolarHBondContact O-N 3.08Å; R230-A234 WeakPolarHBondContact O-CB 3.23Å; R230-A234 PolarHBondContact O-N 3.06Å
231A68.8Low69Low71 Ų71131.6 Ų131.659%0.58764%0.642SS**Hα-helixtrans-59.8-41.8171.900000114.5R229 A234 S235R229-A231 PolarHBondContact O-N 3.04Å; A231-A234 PolarHBondContact O-N 3.26Å; A231-S235 WeakPolarHBondContact O-CB 3.32Å; A231-S235 PolarHBondContact O-N 2.91Å
232A72.3Confident71.6Confident47 Ų47130.5 Ų130.539%0.38863%0.629SS.*Hα-helixtrans-66.5-42.4178.500000111.4E228 R229 S235 R236E228-A232 HydrophobicContact CG-CB 4.14Å; R229-A232 WeakPolarHBondContact O-CB 3.4Å; R229-A232 PolarHBondContact O-N 3.11Å; A232-S235 PolarHBondContact O-N 3.22Å; A232-R236 WeakPolarHBondContact O-CB 3.46Å; A232-R236 PolarHBondContact O-N 3.25Å
233R78.6Confident74.2Confident146 Ų146128.8 Ų128.855%0.55162%0.62SS**Hα-helixtrans-62.3-45.1173.1-68.9-176169.6160.47.7112E228 R230 S235 R236 E237E228-R233 VanDerWaalsContact CD-CG 3.44Å; E228-R233 HydrophobicContact CG-CG 3.96Å; E228-R233 WeakPolarHBondContact OE1-CG 3.27Å; E228-R233 IonicContact OE2-CZ 3.29Å; E228-R233 VanDerWaalsContact OE2-CZ 3.24Å; E228-R233 IonicContact OE2-NE 2.98Å; E228-R233 PolarHBondContact OE2-NE 3.49Å; E228-R233 IonicContact OE2-NH2 2.77Å; E228-R233 PolarHBondContact OE2-NH2 2.87Å; R230-R233 PolarHBondContact O-N 3.08Å; R233-S235 VanDerWaalsContact C-N 3.35Å; R233-S235 PolarHBondContact O-N 3.46Å; R233-R236 PolarHBondContact O-N 3.41Å; R233-E237 PolarHBondContact O-N 2.96Å
234A80.2Confident76.8Confident59 Ų59123.1 Ų123.149%0.48861%0.605SS.*Hα-helixtrans-63.4-38.217600000112.5R230 A231 E237 A238R230-A234 WeakPolarHBondContact O-CB 3.23Å; R230-A234 PolarHBondContact O-N 3.06Å; A231-A234 PolarHBondContact O-N 3.26Å; A234-E237 PolarHBondContact O-N 3.01Å; A234-A238 WeakPolarHBondContact O-CB 3.43Å; A234-A238 PolarHBondContact O-N 3.4Å
235S87.2Confident79.4Confident73 Ų73122.9 Ų122.951%0.5159%0.593SS.*Hα-helixtrans-64.2-47.1174179.50000111.8A231 A232 R233 E237 A238 M239A231-S235 WeakPolarHBondContact O-CB 3.32Å; A231-S235 PolarHBondContact O-N 2.91Å; A232-S235 PolarHBondContact O-N 3.22Å; R233-S235 VanDerWaalsContact C-N 3.35Å; R233-S235 PolarHBondContact O-N 3.46Å; S235-E237 VanDerWaalsContact C-N 3.28Å; S235-E237 PolarHBondContact O-N 3.39Å; S235-A238 PolarHBondContact O-N 3.47Å; S235-A238 VanDerWaalsContact O-N 3.17Å; S235-M239 WeakPolarHBondContact O-CB 3.38Å; S235-M239 WeakPolarHBondContact O-CG 3.47Å; S235-M239 PolarHBondContact O-N 3.24Å
236R85.8Confident81.6Confident192 Ų192116 Ų11673%0.72558%0.578SS**Hα-helixtrans-62.9-34.2176-166.1174.3-172.9170.43.9112.3A232 R233 K240A232-R236 WeakPolarHBondContact O-CB 3.46Å; A232-R236 PolarHBondContact O-N 3.25Å; R233-R236 PolarHBondContact O-N 3.41Å; R236-K240 WeakPolarHBondContact O-CB 3.39Å; R236-K240 PolarHBondContact O-N 2.92Å
237E88.7Confident83.5Confident113 Ų113109.7 Ų109.753%0.52856%0.559SS.*Hα-helixtrans-71.8-43.5171.7-161.8-176.7151.500112.1R233 A234 S235 M239 K240 Q241R233-E237 PolarHBondContact O-N 2.96Å; A234-E237 PolarHBondContact O-N 3.01Å; S235-E237 VanDerWaalsContact C-N 3.28Å; S235-E237 PolarHBondContact O-N 3.39Å; E237-M239 PolarHBondContact O-N 3.46Å; E237-K240 CarbonylContact O-C 3.57Å; E237-K240 WeakPolarHBondContact O-CA 3.47Å; E237-K240 WeakPolarHBondContact O-CB 3.3Å; E237-K240 PolarHBondContact O-N 3.08Å; E237-Q241 HydrophobicContact CG-CG 4.42Å; E237-Q241 WeakPolarHBondContact O-CG 3.36Å; E237-Q241 PolarHBondContact O-N 2.76Å; E237-Q241 PolarHBondContact OE1-NE2 3.25Å
238A92.2Very high85.4Confident44 Ų44111.8 Ų111.836%0.36455%0.548SS..Hα-helixtrans-59.9-43.7176.900000112A234 S235 K240 Q241 L242A234-A238 WeakPolarHBondContact O-CB 3.43Å; A234-A238 PolarHBondContact O-N 3.4Å; S235-A238 PolarHBondContact O-N 3.47Å; S235-A238 VanDerWaalsContact O-N 3.17Å; A238-K240 VanDerWaalsContact C-N 3.31Å; A238-K240 PolarHBondContact O-N 2.93Å; A238-Q241 PolarHBondContact O-N 2.66Å; A238-L242 WeakPolarHBondContact O-CB 3.25Å; A238-L242 WeakPolarHBondContact O-CG 3.47Å; A238-L242 PolarHBondContact O-N 2.96Å
239M91.3Very high86.9Confident107 Ų107113.5 Ų113.553%0.52756%0.559SS.*Hα-helixtrans-56.2-44.1171.1-73.6-85.3-88.600111.8S235 E237 L242 H243S235-M239 WeakPolarHBondContact O-CB 3.38Å; S235-M239 WeakPolarHBondContact O-CG 3.47Å; S235-M239 PolarHBondContact O-N 3.24Å; E237-M239 PolarHBondContact O-N 3.46Å; M239-L242 PolarHBondContact O-N 3.41Å; M239-H243 VanDerWaalsContact O-CG 3.26Å; M239-H243 PolarHBondContact O-N 2.65Å; M239-H243 PolarHBondContact O-ND1 3.02Å
240K95.1Very high87.5Confident154 Ų154109.5 Ų109.567%0.6755%0.554SS**Hα-helixtrans-67.4-37.3176.5-173.8-180179.7-178.40112.4R236 E237 A238 S244R236-K240 WeakPolarHBondContact O-CB 3.39Å; R236-K240 PolarHBondContact O-N 2.92Å; E237-K240 CarbonylContact O-C 3.57Å; E237-K240 WeakPolarHBondContact O-CA 3.47Å; E237-K240 WeakPolarHBondContact O-CB 3.3Å; E237-K240 PolarHBondContact O-N 3.08Å; A238-K240 VanDerWaalsContact C-N 3.31Å; A238-K240 PolarHBondContact O-N 2.93Å; K240-S244 WeakPolarHBondContact O-CB 3.41Å; K240-S244 PolarHBondContact O-N 3.42Å
241Q94.2Very high88.4Confident105 Ų105105.8 Ų105.849%0.49154%0.54SS..Hα-helixtrans-65.1-48.7174.6-71.3179.817.200110.3E237 A238 H243 S244 E245E237-Q241 HydrophobicContact CG-CG 4.42Å; E237-Q241 WeakPolarHBondContact O-CG 3.36Å; E237-Q241 PolarHBondContact O-N 2.76Å; E237-Q241 PolarHBondContact OE1-NE2 3.25Å; A238-Q241 PolarHBondContact O-N 2.66Å; Q241-H243 PolarHBondContact O-N 3.22Å; Q241-S244 CarbonylContact O-C 3.43Å; Q241-S244 WeakPolarHBondContact O-CA 3.31Å; Q241-S244 PolarHBondContact O-N 2.97Å; Q241-S244 PolarHBondContact O-OG 3.39Å; Q241-E245 WeakPolarHBondContact O-CB 3.48Å; Q241-E245 PolarHBondContact O-N 3.29Å
242L95.3Very high89.3Confident106 Ų106107.5 Ų107.556%0.55554%0.536SS*.Hα-helixtrans-56.3-45174.8-73171.2000112.6A238 M239 S244 E245 S246A238-L242 WeakPolarHBondContact O-CB 3.25Å; A238-L242 WeakPolarHBondContact O-CG 3.47Å; A238-L242 PolarHBondContact O-N 2.96Å; M239-L242 PolarHBondContact O-N 3.41Å; L242-S244 PolarHBondContact O-N 2.82Å; L242-E245 PolarHBondContact O-N 2.9Å; L242-S246 VanDerWaalsContact O-CB 3.23Å; L242-S246 WeakPolarHBondContact O-CB 3.44Å; L242-S246 PolarHBondContact O-N 2.8Å
243H92.6Very high89.8Confident129 Ų129108.9 Ų108.960%0.59754%0.543SS*.Hα-helixtrans-63.3-39.9174.3-66.4151.4000112.4M239 Q241 Q247M239-H243 VanDerWaalsContact O-CG 3.26Å; M239-H243 PolarHBondContact O-N 2.65Å; M239-H243 PolarHBondContact O-ND1 3.02Å; Q241-H243 PolarHBondContact O-N 3.22Å; H243-Q247 WeakPolarHBondContact O-CB 3.19Å; H243-Q247 PolarHBondContact O-N 3.21Å
244S94.7Very high89.8Confident71 Ų71106.1 Ų106.150%0.49755%0.546SS..Hα-helixtrans-69.2-35.8177.179.10000112.9K240 Q241 L242 R248K240-S244 WeakPolarHBondContact O-CB 3.41Å; K240-S244 PolarHBondContact O-N 3.42Å; Q241-S244 CarbonylContact O-C 3.43Å; Q241-S244 WeakPolarHBondContact O-CA 3.31Å; Q241-S244 PolarHBondContact O-N 2.97Å; Q241-S244 PolarHBondContact O-OG 3.39Å; L242-S244 PolarHBondContact O-N 2.82Å; S244-R248 VanDerWaalsContact O-CB 3.3Å; S244-R248 WeakPolarHBondContact O-CB 3.23Å; S244-R248 PolarHBondContact O-N 3.04Å
245E95.2Very high89.4Confident120 Ų120110.5 Ų110.556%0.56156%0.56SS**Hα-helixtrans-75.6-43.7179.1-177.5166.1-145.200111.3Q241 L242 Q247 R248 L249Q241-E245 WeakPolarHBondContact O-CB 3.48Å; Q241-E245 PolarHBondContact O-N 3.29Å; L242-E245 PolarHBondContact O-N 2.9Å; E245-Q247 VanDerWaalsContact C-N 3.34Å; E245-Q247 PolarHBondContact O-N 3.3Å; E245-R248 CarbonylContact O-C 3.58Å; E245-R248 WeakPolarHBondContact O-CA 3.49Å; E245-R248 WeakPolarHBondContact O-CB 3.48Å; E245-R248 PolarHBondContact O-N 3.02Å; E245-R248 VanDerWaalsContact O-N 3.08Å; E245-L249 WeakPolarHBondContact O-CB 3.39Å; E245-L249 PolarHBondContact O-N 3.28Å
246S95.5Very high88.9Confident73 Ų73110.5 Ų110.551%0.5157%0.572SS.*Hα-helixtrans-55.8-48.5170.6176.20000111.1L242 R248 L249 V250L242-S246 VanDerWaalsContact O-CB 3.23Å; L242-S246 WeakPolarHBondContact O-CB 3.44Å; L242-S246 PolarHBondContact O-N 2.8Å; S246-R248 VanDerWaalsContact C-N 3.27Å; S246-R248 PolarHBondContact O-N 3.05Å; S246-L249 WeakPolarHBondContact O-CB 3.24Å; S246-L249 PolarHBondContact O-N 3.48Å; S246-V250 WeakPolarHBondContact O-CG2 3.35Å; S246-V250 PolarHBondContact O-N 2.87Å
247Q90.3Very high88.6Confident111 Ų111108.7 Ų108.752%0.51958%0.576SS.*Hα-helixtrans-72.9-17.9178-151.4-171.672.700113.2H243 E245 R251H243-Q247 WeakPolarHBondContact O-CB 3.19Å; H243-Q247 PolarHBondContact O-N 3.21Å; E245-Q247 VanDerWaalsContact C-N 3.34Å; E245-Q247 PolarHBondContact O-N 3.3Å; Q247-R251 VanDerWaalsContact C-NH1 3.33Å; Q247-R251 WeakPolarHBondContact O-CD 3.42Å; Q247-R251 VanDerWaalsContact O-CG 3.31Å; Q247-R251 WeakPolarHBondContact O-CG 3.43Å; Q247-R251 PolarHBondContact O-NH1 2.88Å; Q247-R251 VanDerWaalsContact OE1-CZ 3.29Å
248R92.7Very high88.3Confident133 Ų133109.4 Ų109.450%0.50259%0.59SS.*Hα-helixtrans-75.3-46.1166.9176.4-178.6168.3-123.4-24110.3S244 E245 S246 V250 R251 E252S244-R248 VanDerWaalsContact O-CB 3.3Å; S244-R248 WeakPolarHBondContact O-CB 3.23Å; S244-R248 PolarHBondContact O-N 3.04Å; E245-R248 CarbonylContact O-C 3.58Å; E245-R248 WeakPolarHBondContact O-CA 3.49Å; E245-R248 WeakPolarHBondContact O-CB 3.48Å; E245-R248 PolarHBondContact O-N 3.02Å; E245-R248 VanDerWaalsContact O-N 3.08Å; S246-R248 VanDerWaalsContact C-N 3.27Å; S246-R248 PolarHBondContact O-N 3.05Å; R248-V250 VanDerWaalsContact C-N 3.29Å; R248-V250 PolarHBondContact O-N 3.49Å; R248-R251 CarbonylContact O-C 3.58Å; R248-R251 WeakPolarHBondContact O-CA 3.46Å; R248-R251 WeakPolarHBondContact O-CB 3.31Å; R248-R251 PolarHBondContact O-N 2.83Å; R248-E252 HydrophobicContact CG-CG 4.39Å; R248-E252 WeakPolarHBondContact CG-OE1 3.3Å; R248-E252 IonicContact CZ-OE1 2.71Å; R248-E252 VanDerWaalsContact CZ-OE1 3.29Å; R248-E252 IonicContact CZ-OE2 2.83Å; R248-E252 IonicContact NE-OE1 2.89Å; R248-E252 PolarHBondContact NE-OE1 3.14Å; R248-E252 IonicContact NE-OE2 3.24Å; R248-E252 PolarHBondContact NE-OE2 2.84Å; R248-E252 VanDerWaalsContact NH2-CD 3.29Å; R248-E252 IonicContact NH2-OE1 3.48Å; R248-E252 PolarHBondContact NH2-OE1 3.29Å; R248-E252 IonicContact NH2-OE2 3.36Å; R248-E252 PolarHBondContact NH2-OE2 3.05Å; R248-E252 PolarHBondContact O-N 3.05Å
249L91.4Very high87.7Confident116 Ų116117.8 Ų117.861%0.60761%0.614SS**Hα-helixtrans-59.4-39.4177.7-166.172.9000111.2E245 S246 R251 E252 S253E245-L249 WeakPolarHBondContact O-CB 3.39Å; E245-L249 PolarHBondContact O-N 3.28Å; S246-L249 WeakPolarHBondContact O-CB 3.24Å; S246-L249 PolarHBondContact O-N 3.48Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 2.89Å; L249-E252 CarbonylContact O-C 3.55Å; L249-E252 PolarHBondContact O-N 3.35Å; L249-S253 WeakPolarHBondContact O-CB 3.13Å; L249-S253 PolarHBondContact O-N 2.79Å; L249-S253 PolarHBondContact O-OG 2.87Å
250V88.1Confident87.4Confident97 Ų97120 Ų12059%0.58862%0.623SS**Hα-helixtrans-63.7-29.7173170.70000113.1S246 R248 S253S246-V250 WeakPolarHBondContact O-CG2 3.35Å; S246-V250 PolarHBondContact O-N 2.87Å; R248-V250 VanDerWaalsContact C-N 3.29Å; R248-V250 PolarHBondContact O-N 3.49Å; V250-S253 PolarHBondContact O-OG 3.29Å
251R86.3Confident86.9Confident155 Ų155119.9 Ų119.959%0.58563%0.628SS**Hα-helixtrans-81.4-23.6174.1-67.1169.3179.7109.5-5.1113Q247 R248 L249 S254Q247-R251 VanDerWaalsContact C-NH1 3.33Å; Q247-R251 WeakPolarHBondContact O-CD 3.42Å; Q247-R251 VanDerWaalsContact O-CG 3.31Å; Q247-R251 WeakPolarHBondContact O-CG 3.43Å; Q247-R251 PolarHBondContact O-NH1 2.88Å; Q247-R251 VanDerWaalsContact OE1-CZ 3.29Å; R248-R251 CarbonylContact O-C 3.58Å; R248-R251 WeakPolarHBondContact O-CA 3.46Å; R248-R251 WeakPolarHBondContact O-CB 3.31Å; R248-R251 PolarHBondContact O-N 2.83Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 2.89Å; R251-S254 PolarHBondContact O-OG 3.42Å
252E87.6Confident86.4Confident106 Ų106118.6 Ų118.650%0.49563%0.629SS.*Hα-helixtrans-98.6-20.2-177.7-68.8-179.7-17600112.9R248 L249 S254R248-E252 HydrophobicContact CG-CG 4.39Å; R248-E252 WeakPolarHBondContact CG-OE1 3.3Å; R248-E252 IonicContact CZ-OE1 2.71Å; R248-E252 VanDerWaalsContact CZ-OE1 3.29Å; R248-E252 IonicContact CZ-OE2 2.83Å; R248-E252 IonicContact NE-OE1 2.89Å; R248-E252 PolarHBondContact NE-OE1 3.14Å; R248-E252 IonicContact NE-OE2 3.24Å; R248-E252 PolarHBondContact NE-OE2 2.84Å; R248-E252 VanDerWaalsContact NH2-CD 3.29Å; R248-E252 IonicContact NH2-OE1 3.48Å; R248-E252 PolarHBondContact NH2-OE1 3.29Å; R248-E252 IonicContact NH2-OE2 3.36Å; R248-E252 PolarHBondContact NH2-OE2 3.05Å; R248-E252 PolarHBondContact O-N 3.05Å; L249-E252 CarbonylContact O-C 3.55Å; L249-E252 PolarHBondContact O-N 3.35Å; E252-S254 VanDerWaalsContact C-N 3.32Å; E252-S254 PolarHBondContact O-N 2.98Å
253S82.8Confident85.9Confident77 Ų77121.8 Ų121.854%0.53864%0.641SS.*SBendtrans-76.1-16.117866.70000113.8L249 V250 L255L249-S253 WeakPolarHBondContact O-CB 3.13Å; L249-S253 PolarHBondContact O-N 2.79Å; L249-S253 PolarHBondContact O-OG 2.87Å; V250-S253 PolarHBondContact O-OG 3.29Å; S253-L255 PolarHBondContact O-N 2.87Å
254S78Confident85.6Confident87 Ų87121.7 Ų121.761%0.60865%0.652SS**  trans-7179.7172.362.40000110.6R251 E252 G256R251-S254 PolarHBondContact O-OG 3.42Å; E252-S254 VanDerWaalsContact C-N 3.32Å; E252-S254 PolarHBondContact O-N 2.98Å; S254-G256 VanDerWaalsContact C-N 3.29Å; S254-G256 PolarHBondContact O-N 3.18Å
255L72.9Confident85.1Confident151 Ų151125.8 Ų125.879%0.79166%0.661SS**  trans-64.986.9174-66.7179.3000110.1S253 L257S253-L255 PolarHBondContact O-N 2.87Å; L255-L257 PolarHBondContact O-N 3.3Å
256G77.1Confident84.7Confident73 Ų73124 Ų12475%0.75366%0.658SS**  trans-61.994.7176.800000111.3S254S254-G256 VanDerWaalsContact C-N 3.29Å; S254-G256 PolarHBondContact O-N 3.18Å
257L78.7Confident84Confident155 Ų155126.6 Ų126.681%0.81267%0.665SS**PPolyproline II helixtrans-56.3128.9174.5-67.8177.6000109.5L255 Y259L255-L257 PolarHBondContact O-N 3.3Å; L257-Y259 PolarHBondContact O-N 3.4Å
258P82.3Confident83.3Confident127 Ų127128 Ų12883%0.82567%0.671SS**PPolyproline II helixtrans-55.7117.7177.8-27.135.3000110.9H260P258-H260 PolarHBondContact O-N 3.48Å
259Y79.1Confident82.8Confident220 Ų220126.2 Ų126.286%0.86367%0.669SS**PPolyproline II helixtrans-58.2128-178.5-142.3-87.5000109.3L257 I261L257-Y259 PolarHBondContact O-N 3.4Å; Y259-I261 PolarHBondContact O-N 3.05Å
260H84.5Confident82.1Confident154 Ų154128.9 Ų128.971%0.71368%0.676SS**  trans-66.4104.3-177.4176.673.6000110P258 P262P258-H260 PolarHBondContact O-N 3.48Å; H260-P262 WeakPolarHBondContact O-CD 3.43Å
261I86.1Confident81.6Confident151 Ų151132.7 Ų132.777%0.77468%0.681SS**  trans-78.8108.1171.7-56.8177000107.2Y259Y259-I261 PolarHBondContact O-N 3.05Å
262P82.6Confident81.3Confident79 Ų79133.4 Ų133.451%0.51368%0.683SS.*  trans-69.3145.9179.830.7-35.6000110.3H260H260-P262 WeakPolarHBondContact O-CD 3.43Å
263E85.6Confident80.3Confident172 Ų172139.6 Ų139.680%0.80470%0.702SS**  trans-54.7137.2179.8-67.2-166.8147.700112K265E263-K265 PolarHBondContact O-N 2.91Å
264P85.2Confident79.6Confident128 Ų128147.1 Ų147.183%0.83172%0.719SS**  trans-66101.9-178.526.2-34000110.5T266P264-T266 PolarHBondContact O-N 2.91Å; P264-T266 VanDerWaalsContact O-N 3.14Å
265K85Confident79Confident157 Ų157146.2 Ų146.268%0.68372%0.717SS**  trans-56.9117.8-178.1-66.5171.4-175.6157.20109.9E263 Q269E263-K265 PolarHBondContact O-N 2.91Å; K265-Q269 HydrophobicContact CB-CB 4.4Å
266T87.2Confident78.9Confident83 Ų83150.1 Ų150.151%0.50972%0.721SS.*  trans-59.7150.8179.135.90000111.3P264 Q268 Q269 F270P264-T266 PolarHBondContact O-N 2.91Å; P264-T266 VanDerWaalsContact O-N 3.14Å; T266-Q268 PolarHBondContact O-N 2.82Å; T266-Q269 WeakPolarHBondContact O-CA 3.39Å; T266-Q269 WeakPolarHBondContact O-CB 3.28Å; T266-Q269 PolarHBondContact O-N 3.04Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.3Å; T266-F270 PolarHBondContact O-N 3.42Å
267I80.4Confident78.3Confident126 Ų126150.7 Ų150.765%0.64671%0.711SS**Hα-helixtrans-52.6-32177.2-70.8173.1000112.1F270 Y271I267-F270 WeakPolarHBondContact O-CB 3.46Å; I267-F270 PolarHBondContact O-N 2.71Å; I267-Y271 HydrophobicContact CG2-CD2 3.62Å; I267-Y271 HydrophobicContact CG2-CE2 3.33Å; I267-Y271 VanDerWaalsContact O-CD2 3.31Å; I267-Y271 WeakPolarHBondContact O-CD2 3.44Å; I267-Y271 PolarHBondContact O-N 3.18Å
268Q76.7Confident77.4Confident141 Ų141149.6 Ų149.666%0.65970%0.702SS**Hα-helixtrans-67.1-33.4172-68.3-166.72.100114T266 F270 R272T266-Q268 PolarHBondContact O-N 2.82Å; Q268-F270 VanDerWaalsContact C-N 3.32Å; Q268-R272 VanDerWaalsContact O-CG 3.25Å; Q268-R272 WeakPolarHBondContact O-CG 3.43Å; Q268-R272 PolarHBondContact O-N 2.82Å
269Q81.4Confident76.7Confident95 Ų95145.8 Ų145.844%0.44469%0.686SS.*Hα-helixtrans-69.7-29.4171.7-67.9178.4-0.600112.2K265 T266K265-Q269 HydrophobicContact CB-CB 4.4Å; T266-Q269 WeakPolarHBondContact O-CA 3.39Å; T266-Q269 WeakPolarHBondContact O-CB 3.28Å; T266-Q269 PolarHBondContact O-N 3.04Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.3Å
270F75.9Confident76.6Confident172 Ų172140 Ų14075%0.75468%0.675SS**Hα-helixtrans-69.9-44.3172.1-167.7-94.4000111.6T266 I267 Q268 R272T266-F270 PolarHBondContact O-N 3.42Å; I267-F270 WeakPolarHBondContact O-CB 3.46Å; I267-F270 PolarHBondContact O-N 2.71Å; Q268-F270 VanDerWaalsContact C-N 3.32Å; F270-R272 VanDerWaalsContact C-N 3.32Å; F270-R272 PolarHBondContact O-N 3.02Å
271Y78.6Confident75.9Confident177 Ų177136.4 Ų136.469%0.69467%0.672SS**Hα-helixtrans-75.2-15.2175.1-67.7-52.1000114.7I267 R273I267-Y271 HydrophobicContact CG2-CD2 3.62Å; I267-Y271 HydrophobicContact CG2-CE2 3.33Å; I267-Y271 VanDerWaalsContact O-CD2 3.31Å; I267-Y271 WeakPolarHBondContact O-CD2 3.44Å; I267-Y271 PolarHBondContact O-N 3.18Å; Y271-R273 PolarHBondContact O-N 3.21Å
272R80.2Confident75.3Confident170 Ų170134.7 Ų134.764%0.64266%0.662SS**SBendtrans-68.181.7162.2-77.6173.9-162-170.14.9108.9Q268 F270 R274Q268-R272 VanDerWaalsContact O-CG 3.25Å; Q268-R272 WeakPolarHBondContact O-CG 3.43Å; Q268-R272 PolarHBondContact O-N 2.82Å; F270-R272 VanDerWaalsContact C-N 3.32Å; F270-R272 PolarHBondContact O-N 3.02Å; R272-R274 PolarHBondContact O-N 3.45Å
273R66.6Low74.7Confident237 Ų237133.8 Ų133.889%0.89466%0.661SS**  trans-50.498.6166.5-68.6-176.3178.9-175.5-0.6108.7Y271 A275Y271-R273 PolarHBondContact O-N 3.21Å; R273-A275 PolarHBondContact O-N 3.22Å
274R67.8Low73.8Confident235 Ų235128.4 Ų128.489%0.88764%0.638SS**  trans-56126.4165.3-69.2-174.3176-159.1-3.2105.8R272 R276R272-R274 PolarHBondContact O-N 3.45Å; R274-R276 PolarHBondContact O-N 3.33Å; R274-R276 VanDerWaalsContact O-N 3.14Å
275A65.8Low73.1Confident68 Ų68127.5 Ų127.556%0.56263%0.625SS**  trans-57.6123.8176.800000107.8R273 P277 L662R273-A275 PolarHBondContact O-N 3.22Å; A275-P277 WeakPolarHBondContact O-CD 3.38Å; A275-L662 HydrophobicContact CB-CD2 4.13Å
276R70.1Confident72.6Confident233 Ų233128.1 Ų128.188%0.87963%0.628SS**  trans-56.5115.9176.4-175176-175.6164.82.4106.5R274 Q278R274-R276 PolarHBondContact O-N 3.33Å; R274-R276 VanDerWaalsContact O-N 3.14Å; R276-Q278 PolarHBondContact O-N 2.96Å
277P65.3Low72.2Confident84 Ų84126 Ų12655%0.54562%0.616SS.*  trans-62.4129.5-173.827.5-35.3000107.9A275 G279 L284A275-P277 WeakPolarHBondContact O-CD 3.38Å; P277-G279 PolarHBondContact O-N 3.09Å; P277-L284 HydrophobicContact CB-CD1 3.65Å; P277-L284 HydrophobicContact CB-CD2 4.23Å; P277-L284 HydrophobicContact CG-CD1 3.85Å
278Q58.4Low71.8Confident133 Ų133123.7 Ų123.762%0.62161%0.611SS**SBendtrans-86.3107.6-156.4-160.1-175.42200111.5R276 A659 A660R276-Q278 PolarHBondContact O-N 2.96Å; Q278-A659 PolarHBondContact NE2-O 3.21Å; Q278-A659 PolarHBondContact OE1-O 3Å; Q278-A660 VanDerWaalsContact OE1-CA 3.27Å
279G67.3Low71.6Confident47 Ų47126.4 Ų126.449%0.48562%0.615SS.*SBendtrans151.1-179.8178.400000111.1P277 A281P277-G279 PolarHBondContact O-N 3.09Å; G279-A281 PolarHBondContact O-N 3.37Å
280P78.7Confident71.1Confident97 Ų97127 Ų12763%0.6362%0.615SS**  trans-59.8133.1168.2-20.433000110.1M282 A283 L284P280-M282 PolarHBondContact O-N 3.43Å; P280-A283 HydrophobicContact CB-CB 4.24Å; P280-A283 HydrophobicContact CG-CB 4.5Å; P280-A283 WeakPolarHBondContact O-CB 3.45Å; P280-A283 PolarHBondContact O-N 3.02Å; P280-L284 PolarHBondContact O-N 2.84Å
281A70Confident70.7Confident79 Ų79121.4 Ų121.465%0.65360%0.596SS**Hα-helixtrans-57.5-39-176.500000112.3G279 A283 L284 L285G279-A281 PolarHBondContact O-N 3.37Å; A281-A283 VanDerWaalsContact C-N 3.27Å; A281-A283 PolarHBondContact O-N 3.29Å; A281-L284 PolarHBondContact O-N 3.17Å; A281-L285 PolarHBondContact O-N 2.78Å
282M73.4Confident70.4Confident116 Ų116117.8 Ų117.857%0.57159%0.586SS**Hα-helixtrans-63-29176.4-61.4-58-82.600113.5P280 K286P280-M282 PolarHBondContact O-N 3.43Å; M282-K286 VanDerWaalsContact O-CB 3.23Å; M282-K286 WeakPolarHBondContact O-CB 3.45Å; M282-K286 VanDerWaalsContact O-CG 3.26Å; M282-K286 WeakPolarHBondContact O-CG 3.31Å; M282-K286 PolarHBondContact O-N 3.05Å
283A69.8Low69.8Low59 Ų59115.1 Ų115.149%0.48858%0.584SS.*Hα-helixtrans-75.9-27.7178.200000112.5P280 A281 S287P280-A283 HydrophobicContact CB-CB 4.24Å; P280-A283 HydrophobicContact CG-CB 4.5Å; P280-A283 WeakPolarHBondContact O-CB 3.45Å; P280-A283 PolarHBondContact O-N 3.02Å; A281-A283 VanDerWaalsContact C-N 3.27Å; A281-A283 PolarHBondContact O-N 3.29Å; A283-S287 WeakPolarHBondContact O-CB 3.28Å; A283-S287 PolarHBondContact O-N 3.44Å
284L66.1Low69.8Low60 Ų60110.3 Ų110.331%0.31457%0.573SS.*Hα-helixtrans-77.5-44.4171.9-78.2147.1000111.2P277 P280 A281 K286 S287 Y290P277-L284 HydrophobicContact CB-CD1 3.65Å; P277-L284 HydrophobicContact CB-CD2 4.23Å; P277-L284 HydrophobicContact CG-CD1 3.85Å; P280-L284 PolarHBondContact O-N 2.84Å; A281-L284 PolarHBondContact O-N 3.17Å; L284-K286 VanDerWaalsContact C-N 3.3Å; L284-K286 PolarHBondContact O-N 2.88Å; L284-S287 WeakPolarHBondContact O-CB 3.45Å; L284-S287 PolarHBondContact O-N 3.43Å; L284-S287 PolarHBondContact O-OG 3.35Å; L284-Y290 VanDerWaalsContact O-CB 3.24Å; L284-Y290 WeakPolarHBondContact O-CB 3.35Å
285L70.3Confident69.8Low109 Ų109106 Ų10657%0.57157%0.567SS**Hα-helixtrans-64-34.5177.7-168.364.7000112.3A281 S287 Y290A281-L285 PolarHBondContact O-N 2.78Å; L285-S287 VanDerWaalsContact C-N 3.34Å; L285-Y290 HydrophobicContact CD1-CD1 3.97Å; L285-Y290 HydrophobicContact CD1-CE1 3.8Å
286K75.3Confident69.2Low170 Ų170109.4 Ų109.474%0.73957%0.571SS**THydrogen-bonded Turntrans-87.310.5172.4-64.3179.1176.9-173.80114M282 L284M282-K286 VanDerWaalsContact O-CB 3.23Å; M282-K286 WeakPolarHBondContact O-CB 3.45Å; M282-K286 VanDerWaalsContact O-CG 3.26Å; M282-K286 WeakPolarHBondContact O-CG 3.31Å; M282-K286 PolarHBondContact O-N 3.05Å; L284-K286 VanDerWaalsContact C-N 3.3Å; L284-K286 PolarHBondContact O-N 2.88Å
287S78.1Confident67.9Low38 Ų38105.9 Ų105.927%0.26657%0.567SS.*SBendtrans-86.5135177.6740000111.5A283 L284 L285 R289 Y290 S291A283-S287 WeakPolarHBondContact O-CB 3.28Å; A283-S287 PolarHBondContact O-N 3.44Å; L284-S287 WeakPolarHBondContact O-CB 3.45Å; L284-S287 PolarHBondContact O-N 3.43Å; L284-S287 PolarHBondContact O-OG 3.35Å; L285-S287 VanDerWaalsContact C-N 3.34Å; S287-R289 PolarHBondContact O-N 3.14Å; S287-Y290 PolarHBondContact O-N 2.78Å; S287-S291 PolarHBondContact O-N 3.29Å; S287-S291 PolarHBondContact O-OG 3.29Å
288S73.1Confident66.9Low77 Ų77108.1 Ų108.154%0.53858%0.581SS.*Hα-helixtrans-49.7-39.5-179.4-160.20000112.6Y290 S291 E292S288-Y290 VanDerWaalsContact C-N 3.3Å; S288-Y290 PolarHBondContact O-N 2.68Å; S288-S291 WeakPolarHBondContact CA-OG 3.41Å; S288-S291 PolarHBondContact O-N 3Å; S288-S291 PolarHBondContact O-OG 2.9Å; S288-E292 WeakPolarHBondContact CB-OE1 3.22Å; S288-E292 WeakPolarHBondContact O-CB 3.41Å; S288-E292 WeakPolarHBondContact O-CG 3.44Å; S288-E292 PolarHBondContact O-N 2.99Å; S288-E292 PolarHBondContact OG-OE1 2.9Å
289R71.7Confident65.9Low198 Ų198109.5 Ų109.575%0.74759%0.592SS**Hα-helixtrans-66.1-26178.7-66.1-175.2178.6-172.9-1.4114.7S287 E292 L293S287-R289 PolarHBondContact O-N 3.14Å; R289-E292 WeakPolarHBondContact CA-OE2 3.45Å; R289-L293 WeakPolarHBondContact O-CB 3.16Å; R289-L293 PolarHBondContact O-N 2.94Å
290Y70.2Confident64.4Low109 Ų109111.4 Ų111.443%0.42760%0.603SS.*Hα-helixtrans-85.3-35.1175.6-160.7-94.2000111.3L284 L285 S287 S288 L293 M294L284-Y290 VanDerWaalsContact O-CB 3.24Å; L284-Y290 WeakPolarHBondContact O-CB 3.35Å; L285-Y290 HydrophobicContact CD1-CD1 3.97Å; L285-Y290 HydrophobicContact CD1-CE1 3.8Å; S287-Y290 PolarHBondContact O-N 2.78Å; S288-Y290 VanDerWaalsContact C-N 3.3Å; S288-Y290 PolarHBondContact O-N 2.68Å; Y290-L293 PolarHBondContact O-N 3.44Å; Y290-M294 HydrophobicContact CD1-CG 4.09Å; Y290-M294 HydrophobicContact CE1-CG 3.91Å; Y290-M294 HydrophobicContact CE1-SD 4.24Å; Y290-M294 WeakPolarHBondContact O-CB 3.34Å; Y290-M294 VanDerWaalsContact O-CG 3.22Å; Y290-M294 WeakPolarHBondContact O-CG 3.42Å; Y290-M294 PolarHBondContact O-N 2.77Å
291S69.1Low62.4Low53 Ų53112.5 Ų112.537%0.37161%0.61SS.*Hα-helixtrans-65.6-40.2168.341.20000112.3S287 S288 M294 L295S287-S291 PolarHBondContact O-N 3.29Å; S287-S291 PolarHBondContact O-OG 3.29Å; S288-S291 WeakPolarHBondContact CA-OG 3.41Å; S288-S291 PolarHBondContact O-N 3Å; S288-S291 PolarHBondContact O-OG 2.9Å; S291-M294 PolarHBondContact O-N 2.98Å; S291-L295 VanDerWaalsContact O-CG 3.32Å; S291-L295 WeakPolarHBondContact O-CG 3.33Å; S291-L295 PolarHBondContact O-N 3.49Å
292E71.4Confident60.8Low102 Ų102114.5 Ų114.548%0.47762%0.616SS.*Hα-helixtrans-57.9-50.2172.1-74.4150.5-150.800110.8S288 R289 M294 L295 E296S288-E292 WeakPolarHBondContact CB-OE1 3.22Å; S288-E292 WeakPolarHBondContact O-CB 3.41Å; S288-E292 WeakPolarHBondContact O-CG 3.44Å; S288-E292 PolarHBondContact O-N 2.99Å; S288-E292 PolarHBondContact OG-OE1 2.9Å; R289-E292 WeakPolarHBondContact CA-OE2 3.45Å; E292-M294 PolarHBondContact O-N 3.41Å; E292-L295 CarbonylContact O-C 3.52Å; E292-L295 PolarHBondContact O-N 2.74Å; E292-E296 PolarHBondContact O-N 3.18Å
293L67.6Low58.7Low114 Ų114115.5 Ų115.560%0.59763%0.629SS**Hα-helixtrans-66.5-16.9176.2-87.9166.7000115.1R289 Y290R289-L293 WeakPolarHBondContact O-CB 3.16Å; R289-L293 PolarHBondContact O-N 2.94Å; Y290-L293 PolarHBondContact O-N 3.44Å
294M67Low57Low136 Ų136121.6 Ų121.667%0.6765%0.648SS**Hα-helixtrans-89.6-19.2172.5-74.5-69.8-57.300112.5Y290 S291 E292Y290-M294 HydrophobicContact CD1-CG 4.09Å; Y290-M294 HydrophobicContact CE1-CG 3.91Å; Y290-M294 HydrophobicContact CE1-SD 4.24Å; Y290-M294 WeakPolarHBondContact O-CB 3.34Å; Y290-M294 VanDerWaalsContact O-CG 3.22Å; Y290-M294 WeakPolarHBondContact O-CG 3.42Å; Y290-M294 PolarHBondContact O-N 2.77Å; S291-M294 PolarHBondContact O-N 2.98Å; E292-M294 PolarHBondContact O-N 3.41Å
295L67.1Low55.4Low144 Ų144127.7 Ų127.775%0.75468%0.675SS**Hα-helixtrans-93.9-19.7174.6-69.5165.4000112.3S291 E292 M297S291-L295 VanDerWaalsContact O-CG 3.32Å; S291-L295 WeakPolarHBondContact O-CG 3.33Å; S291-L295 PolarHBondContact O-N 3.49Å; E292-L295 CarbonylContact O-C 3.52Å; E292-L295 PolarHBondContact O-N 2.74Å; L295-M297 PolarHBondContact O-N 3.36Å; L295-M297 VanDerWaalsContact O-N 3.12Å
296E53.3Low53.6Low140 Ų140130.9 Ų130.965%0.65469%0.692SS**SBendtrans-73.297.9176-169.4172.3-155.200111.4E292E292-E296 PolarHBondContact O-N 3.18Å
297M43.7Very low51.6Low158 Ų158127.3 Ų127.378%0.77870%0.695SS**  trans-57.1135.4173.7-77.5173.152.200111.7L295 L299L295-M297 PolarHBondContact O-N 3.36Å; L295-M297 VanDerWaalsContact O-N 3.12Å; M297-L299 PolarHBondContact O-N 2.82Å
298P42.8Very low49.6Very low132 Ų132131.6 Ų131.686%0.85772%0.721SS**  trans-72.699.1-179.929.3-34.6000111.7
299L37.1Very low48.4Very low162 Ų162133.9 Ų133.985%0.84874%0.735SS**PPolyproline II helixtrans-64.6155.4162.9-107.672.7000111.1M297M297-L299 PolarHBondContact O-N 2.82Å
300A37.4Very low46.5Very low87 Ų87130.1 Ų130.172%0.71974%0.739SS**PPolyproline II helixtrans-59.4148.4-174.600000113.6
301P35.3Very low45.3Very low120 Ų120130 Ų13078%0.77975%0.751SS**PPolyproline II helixtrans-67.7132-17226.4-35.2000112.9
302P36.5Very low43.4Very low120 Ų120134 Ų13478%0.77977%0.768SS**PPolyproline II helixtrans-76.6137.6175.330.5-34.2000112.2
303T30.5Very low41.4Very low137 Ų137136.5 Ų136.584%0.8478%0.784SS**PPolyproline II helixtrans-66.1128176.8-47.30000111.5
304Q32.7Very low39.6Very low188 Ų188135.9 Ų135.988%0.87979%0.789SS**PPolyproline II helixtrans-81.5145.5171.1-69.2-175.5-19.100111.6
305Q34Very low37.8Very low188 Ų188134.8 Ų134.888%0.87980%0.795SS**  trans-122142.4166.7-71.9-173.3-23.800109.4
306D31.1Very low36.1Very low176 Ų176135 Ų13594%0.94180%0.797SS**  trans-81.2129.5-176.8-68.7-70.3000113.6
307A33Very low35.1Very low95 Ų95136.8 Ų136.879%0.78581%0.805SS**  trans-157.1141.7156.400000111.3
308P37Very low34.5Very low127 Ų127136 Ų13683%0.82580%0.803SS**  trans-90.8160.3-173.335.1-36.2000115.2
309P48.3Very low33.9Very low126 Ų126138.2 Ų138.282%0.81880%0.802SS**  trans-106.6161.6-171.140.4-35.8000115.8
310S31.6Very low33.5Very low119 Ų119134.7 Ų134.783%0.83279%0.79SS**  trans-170.3172.515462.30000109.7
311P45.3Very low33.1Very low105 Ų105138.3 Ų138.368%0.68280%0.797SS**  -137.4-175.5-9038.7-18.7000116.9
312D28.9Very low33.4Very low138 Ų138138.2 Ų138.274%0.73880%0.796SS**  trans92.3130.1139-88-22.8000124.6
313L30Very low33.2Very low155 Ų155136.6 Ų136.681%0.81279%0.793SS**  trans67.8151152.9-57.9170.4000120
314S29.9Very low33.7Very low100 Ų100136.3 Ų136.370%0.69979%0.793SS**  cis-172.2172-24.262.90000112.4
315S27.9Very low33.4Very low113 Ų113132.1 Ų132.179%0.7979%0.79SS**  trans87.9157.9156.6-151.10000119.7
316N30.9Very low33.1Very low149 Ų149127.9 Ų127.980%0.79779%0.788SS**  trans-123.2156.6-173.1-50.2-93000110.3
317Q32.6Very low32.9Very low177 Ų177124.3 Ų124.383%0.82778%0.783SS**  trans-175.9124.2131.4-102.8177.928.700114.8
318I31Very low32.6Very low142 Ų142125.8 Ų125.873%0.72879%0.787SS**  54122.8128-54.5173.7000121.4
319Q31.3Very low32.1Very low179 Ų179124.7 Ų124.784%0.83678%0.783SS**  trans-7.5159.5140.5-74168.7-10.400120.3
320S29.2Very low32.2Very low87 Ų87123.6 Ų123.661%0.60878%0.776SS**  cis-178.4149.6-6.950.60000112.4
321L28.9Very low32Very low164 Ų164125.5 Ų125.586%0.85977%0.771SS**  trans63.9170.4155-66.7169.6000117.5
322P41Very low31.4Very low118 Ų118126.7 Ų126.777%0.76677%0.768SS**  cis-122.2-175.6-5.141.7-27.4000114.7
323A32.2Very low31.4Very low85 Ų85127.5 Ų127.570%0.70277%0.767SS**  trans-81.3173.616300000111.8
324P41.8Very low31.4Very low132 Ų132127.2 Ų127.286%0.85777%0.766SS**  -141.9-177.498.940.8-28.4000114.2
325A25.5Very low31.4Very low99 Ų99129.8 Ų129.882%0.81877%0.771SS**  trans-119.8-176.7-179.900000112.6
326A27.7Very low32Very low99 Ų99130.3 Ų130.382%0.81877%0.772SS**  trans100.7134.8158.500000120.3
327A26.3Very low32Very low102 Ų102126.3 Ų126.384%0.84376%0.76SS**  trans59.8111.9149.500000121.5
328S26.6Very low31.8Very low125 Ų125125.8 Ų125.887%0.87476%0.757SS**  -158.7158.4108.5-1600000112.1
329S26.3Very low31.8Very low105 Ų105127.5 Ų127.573%0.73476%0.763SS**  trans-141.9-178.3174.5-149.10000106.8
330P51.9Low32.4Very low103 Ų103124.4 Ų124.467%0.66976%0.758SS**  cis-128.6-145.1-17.138.4-18.7000110.8
331Q27.6Very low32.5Very low158 Ų158128.3 Ų128.374%0.73877%0.767SS**  trans89.2132.1156.6-143.7149.2-1.200115
332Q31.7Very low32.9Very low130 Ų130126.4 Ų126.461%0.60776%0.764SS**  cis-156.3131.323-162.5158.62100115.2
333Q30Very low32.4Very low156 Ų156129.8 Ų129.873%0.72977%0.77SS**  trans61.4143.5151.2-72.9161-4.600119.2
334N29.2Very low32.3Very low148 Ų148131.8 Ų131.879%0.79178%0.778SS**  cis-136164.415.8-98.7-26.4000113.9
335L30.6Very low31.7Very low154 Ų154128.6 Ų128.681%0.80677%0.769SS**  trans-102.8174.3169.3-84.2172.7000109.8
336P40.8Very low32.4Very low125 Ų125129.9 Ų129.981%0.81277%0.769SS**  cis-139.2-166.528.941.5-21.4000115.9
337A29.6Very low32.5Very low65 Ų65132.2 Ų132.254%0.53777%0.765SS.*  cis-179.5156.3-4600000108.7
338E29.5Very low32.6Very low165 Ų165132.7 Ų132.777%0.77175%0.753SS**  trans56.8120.1174.9-35.1-52.382.700116.6
339E31.2Very low32.6Very low179 Ų179131.9 Ų131.984%0.83674%0.738SS**  67.6148.372.6-76-161.8-165.500115.6
340P43.2Very low32.5Very low113 Ų113133.5 Ų133.573%0.73474%0.738SS**  cis-130.7-171.28.742.4-25.3000115.9
341E31.1Very low31.4Very low170 Ų170133.6 Ų133.679%0.79474%0.741SS**  trans-60.1153.2161.6-66.5-77.3141.200112.2
342P37.2Very low31.3Very low123 Ų123134.7 Ų134.780%0.79975%0.746SS**  -150-177.996.241.2-23.9000116.2
343E31Very low31.1Very low190 Ų190133.4 Ų133.489%0.88875%0.747SS**  trans-76.6173.6-171.7-54.2176.9118.500117
344S28.8Very low31Very low127 Ų127132.8 Ų132.889%0.88875%0.748SS**  trans92.3145.2162.1-151.70000118.8
345G30.5Very low30.9Very low65 Ų65133.9 Ų133.967%0.6775%0.749SS**  trans-89.7-168.1-179.100000113.8
346P40.1Very low30.6Very low125 Ų125135.5 Ų135.581%0.81275%0.752SS**  cis-144.2179.632.442.4-22.7000117.8
347M28.6Very low30.1Very low149 Ų149134 Ų13473%0.73474%0.744SS**  trans31.7117.2146.8-75.8-97.9-78.300122.9
348L29.8Very low29.9Very low111 Ų111139.2 Ų139.258%0.58176%0.762SS**  trans72.1155.1144.6-51.2177.2000117.6M598L348-M598 HydrophobicContact CD1-CE 3.73Å; L348-M598 HydrophobicContact CD1-SD 3.89Å
349L25.6Very low29.9Very low108 Ų108135.6 Ų135.657%0.56576%0.761SS**  cis-156.3165.611.1-158.167.2000112.4M598L349-M598 HydrophobicContact CD1-CE 3.84Å; L349-M598 HydrophobicContact CD2-CE 3.64Å; L349-M598 HydrophobicContact CG-CE 4.31Å
350L25.5Very low29.8Very low140 Ų140131.9 Ų131.973%0.73376%0.76SS**  trans70.5108.4160.5-57.4-170.9000122.9
351S28.6Very low29Very low105 Ų105133.3 Ų133.373%0.73476%0.762SS**  50.6121.4112.5-50.10000123.7
352E25.5Very low28.9Very low181 Ų181129.8 Ų129.885%0.84676%0.756SS**  trans177.3156.6137.5-91.4-148.4118.500107.3
353T26.5Very low28.4Very low102 Ų102128.3 Ų128.363%0.62675%0.754SS**  cis-157.9-178.3-7.212.40000111.2
354L27.2Very low28.4Very low144 Ų144127.7 Ų127.775%0.75475%0.751SS**  trans88.4146.7162.4-69.9108.4000119.4
355Q27.4Very low29.2Very low171 Ų171125.8 Ų125.880%0.79974%0.736SS**  cis168.2125.2-37.1158.1-178.6103.700108.5
356E24.4Very low29Very low188 Ų188130.4 Ų130.488%0.87974%0.744SS**  trans-149.2156149.8-154156.3176.900112.4
357S29.9Very low29.3Very low92 Ų92129.6 Ų129.664%0.64374%0.739SS**  trans-71.3159.5-157.462.40000117.5
358L26.7Very low29.3Very low175 Ų175130.1 Ų130.192%0.91675%0.745SS**  -147.4171107.9-92.4-171.5000110.5
359A29Very low29.2Very low90 Ų90128.2 Ų128.274%0.74475%0.751SS**  trans-104.5147.5-152.400000117
360A29.1Very low29.3Very low100 Ų100126.9 Ų126.983%0.82676%0.764SS**  trans32.6127.3144.300000118.6
361D27Very low30.4Very low144 Ų144125.9 Ų125.977%0.7777%0.766SS**  170.8157.860.9-171.29.2000110.7
362S27.6Very low30.6Very low96 Ų96129.8 Ų129.867%0.67177%0.77SS**  trans49.3116.7153.3-70.70000124.8
363A28.6Very low31Very low91 Ų91129 Ų12975%0.75277%0.766SS**  79.8112.9124.800000122.9
364E30.5Very low31.1Very low178 Ų178128.3 Ų128.383%0.83277%0.765SS**  31.5157.9109.1-75.3-138.8144.500122.4
365P45.4Very low31.2Very low86 Ų86130.3 Ų130.356%0.55877%0.771SS**  cis-147171.4-34.741.1-23.8000115.7
366L26.4Very low31.2Very low163 Ų163126.5 Ų126.585%0.85377%0.769SS**  trans61.4178.9143-81.7171.5000119.7
367P46.9Very low31.4Very low107 Ų107121.9 Ų121.970%0.69576%0.762SS**  cis-133.8-179.7-22.935.6-16.8000116.1
368D27.8Very low31.3Very low161 Ų161123.3 Ų123.386%0.86177%0.772SS**  trans71.4124.9140.6-121.7-19.4000124.9
369G28.3Very low31.5Very low70 Ų70123.7 Ų123.772%0.72277%0.77SS**  109.1113.896.600000120.9
370G27Very low32.1Very low80 Ų80124.2 Ų124.283%0.82577%0.766SS**  trans163.9116.2163.300000117.1
371P47.8Very low32Very low120 Ų120128 Ų12878%0.77977%0.766SS**  trans-127.3-179.5-173.641.7-29.4000116.8
372K33.8Very low32.2Very low187 Ų187126.5 Ų126.581%0.81377%0.767SS**  trans108.7151.3163.6-67.5178.9-178-177.20117
373Q32.9Very low32.4Very low164 Ų164129.2 Ų129.277%0.76677%0.774SS**  cis-174.7156.4-25.5-157.7174-2.400110.3
374S29.3Very low33.2Very low88 Ų88130.2 Ų130.262%0.61577%0.773SS**  trans84.2122.3152.7-57.10000124.2
375Q30.3Very low33.3Very low185 Ų185128.2 Ų128.286%0.86477%0.772SS**  78119.4128-71.5-178.9-33.600125.5
376A25.9Very low33.4Very low92 Ų92129.3 Ų129.376%0.7678%0.779SS**  79.6111.2119.700000124.8
377A28.8Very low34.5Very low90 Ų90127.2 Ų127.274%0.74478%0.776SS**  68.5144.911900000125.3
378S28.8Very low33.7Very low122 Ų122127.6 Ų127.685%0.85378%0.781SS**  trans80.4150.8151.147.40000122.6
379E30Very low34Very low183 Ų183124.3 Ų124.386%0.85578%0.776SS**  trans-79.9-164.6-172.4-53.1170.895.400112.9
380P41.5Very low34.6Very low102 Ų102126.7 Ų126.766%0.66278%0.779SS**  cis-148.3175.96.744.8-24.2000120.9
381Q28.2Very low35Very low179 Ų179131.4 Ų131.484%0.83678%0.779SS**  trans69.8142.8141.2-86.6178-8.200125.2
382S29.8Very low34.7Very low113 Ų113130.4 Ų130.479%0.7977%0.773SS**  trans94.7123.5140.5660000122.9
383D31.8Very low34.9Very low152 Ų152126.5 Ų126.581%0.81378%0.776SS**  trans-75.5-179163.2-64.5-71.3000112.4
384P45.5Very low35.6Very low112 Ų112129.3 Ų129.373%0.72778%0.779SS**  cis-149.9172.819.244.6-23.8000121.3
385V32.2Very low36.8Very low136 Ų136130.9 Ų130.982%0.82479%0.787SS**  trans84.9140.1142.2151.40000121.3
386P49.3Very low38Very low109 Ų109132.1 Ų132.171%0.70879%0.79SS**  trans-115.2-144.1-158.643.1-25.2000111.2
387P48.1Very low40.2Very low119 Ų119133 Ų13377%0.77378%0.777SS**  cis-130.2-169.3-18.341.8-24.6000113.9
388S31.3Very low42.5Very low115 Ų115133 Ų13380%0.80476%0.764SS**  trans171.9120.9138.7-1770000115.6
389A34.3Very low44.7Very low92 Ų92136.6 Ų136.676%0.7676%0.759SS**  trans68.5154.1149.200000122.5
390P40.8Very low46.5Very low121 Ų121133 Ų13379%0.78674%0.744SS**  trans-125.2-159.2-158.642.6-25000115.9
391E34.2Very low48.1Very low178 Ų178131 Ų13183%0.83273%0.732SS**  trans81146.6172.2-79.1-146.6178.900120.1
392P42Very low50.2Low100 Ų100130.6 Ų130.665%0.64972%0.723SS**  -131.8169.3-57.730.3-10.3000113R394P392-R394 PolarHBondContact O-N 3.49Å
393A37.1Very low52.4Low105 Ų105128.7 Ų128.787%0.86870%0.703SS**PPolyproline II helixtrans-65.9121.9-177.300000113.2
394R48Very low54.5Low222 Ų222127 Ų12784%0.83869%0.689SS**PPolyproline II helixtrans-75.9138.2179.4-61-175.1-172.7-171.83.1111.7P392P392-R394 PolarHBondContact O-N 3.49Å
395P54.8Low56Low121 Ų121127.7 Ų127.779%0.78668%0.682SS**PPolyproline II helixtrans-62.5148.8177.825.2-34000112.4K397P395-K397 PolarHBondContact O-N 2.82Å; P395-K397 VanDerWaalsContact O-N 3.07Å
396K56.7Low57.9Low212 Ų212127.1 Ų127.192%0.92267%0.674SS**  trans-63.7106.5-173.1-65169.7-176.7169.60110.7
397K72.1Confident58.9Low111 Ų111124.9 Ų124.948%0.48367%0.671SS.*  trans-58.5142.6173.8-57.6-177.4-167172.90110.8P395 E405P395-K397 PolarHBondContact O-N 2.82Å; P395-K397 VanDerWaalsContact O-N 3.07Å; K397-E405 WeakPolarHBondContact CD-OE2 3.22Å; K397-E405 IonicContact NZ-OE1 2.92Å; K397-E405 PolarHBondContact NZ-OE1 2.74Å; K397-E405 IonicContact NZ-OE2 3.08Å; K397-E405 PolarHBondContact NZ-OE2 3.09Å
398D76.4Confident59.9Low90 Ų90124.8 Ų124.848%0.48166%0.663SS.*  trans-54.4147.7174.3159.361.4000112.7M400 S401 R402D398-M400 VanDerWaalsContact C-N 3.34Å; D398-M400 PolarHBondContact O-N 2.83Å; D398-M400 WeakPolarHBondContact OD2-CA 3.23Å; D398-M400 VanDerWaalsContact OD2-CB 3.27Å; D398-M400 WeakPolarHBondContact OD2-CB 3.45Å; D398-M400 PolarHBondContact OD2-N 3.12Å; D398-S401 WeakPolarHBondContact O-CB 3.14Å; D398-S401 PolarHBondContact O-N 3.02Å; D398-S401 VanDerWaalsContact O-N 3.15Å; D398-S401 PolarHBondContact OD2-N 3.25Å; D398-S401 VanDerWaalsContact OD2-N 3.15Å; D398-R402 PolarHBondContact O-N 2.91Å
399R75.2Confident61.9Low196 Ų196124.3 Ų124.374%0.7465%0.652SS**Hα-helixtrans-59.3-39-177.6-78.3-175.8171.5178.7-1.6112.5S401 R402 L403R399-S401 VanDerWaalsContact C-N 3.34Å; R399-R402 PolarHBondContact O-N 3.19Å; R399-L403 WeakPolarHBondContact O-CG 3.26Å; R399-L403 PolarHBondContact O-N 2.9Å
400M68.3Low63.4Low108 Ų108124.1 Ų124.153%0.53264%0.643SS.*Hα-helixtrans-70.4-34.3178.7-57.8-58.6-64.400111.7D398 L403 K404D398-M400 VanDerWaalsContact C-N 3.34Å; D398-M400 PolarHBondContact O-N 2.83Å; D398-M400 WeakPolarHBondContact OD2-CA 3.23Å; D398-M400 VanDerWaalsContact OD2-CB 3.27Å; D398-M400 WeakPolarHBondContact OD2-CB 3.45Å; D398-M400 PolarHBondContact OD2-N 3.12Å; M400-L403 HydrophobicContact SD-CD1 4.14Å; M400-K404 WeakPolarHBondContact O-CG 3.46Å; M400-K404 PolarHBondContact O-N 3.07Å; M400-K404 VanDerWaalsContact O-N 3.16Å
401S73.6Confident64.7Low60 Ų60123.9 Ų123.942%0.4264%0.641SS.*Hα-helixtrans-66.7-42.2172.7-56.90000111.5D398 R399 L403 K404 E405D398-S401 WeakPolarHBondContact O-CB 3.14Å; D398-S401 PolarHBondContact O-N 3.02Å; D398-S401 VanDerWaalsContact O-N 3.15Å; D398-S401 PolarHBondContact OD2-N 3.25Å; D398-S401 VanDerWaalsContact OD2-N 3.15Å; R399-S401 VanDerWaalsContact C-N 3.34Å; S401-L403 PolarHBondContact O-N 3.12Å; S401-K404 PolarHBondContact O-N 2.89Å; S401-E405 PolarHBondContact O-N 3.09Å
402R73.4Confident66.2Low171 Ų171121 Ų12165%0.64564%0.638SS**Hα-helixtrans-65.8-35176.3-158.9175.9-172.4-170.42.1112.5D398 R399 E405 L406D398-R402 PolarHBondContact O-N 2.91Å; R399-R402 PolarHBondContact O-N 3.19Å; R402-E405 PolarHBondContact O-N 2.98Å; R402-L406 VanDerWaalsContact O-CG 3.29Å; R402-L406 WeakPolarHBondContact O-CG 3.18Å; R402-L406 PolarHBondContact O-N 3.47Å; R402-L406 VanDerWaalsContact O-N 3.14Å
403L75.1Confident66.8Low72 Ų72121.8 Ų121.838%0.37764%0.643SS.*Hα-helixtrans-65.4-39.7173.1-78.1163.2000112.6R399 M400 S401 L406 G407 L408R399-L403 WeakPolarHBondContact O-CG 3.26Å; R399-L403 PolarHBondContact O-N 2.9Å; M400-L403 HydrophobicContact SD-CD1 4.14Å; S401-L403 PolarHBondContact O-N 3.12Å; L403-L406 CarbonylContact O-C 3.41Å; L403-L406 PolarHBondContact O-N 3.18Å; L403-G407 PolarHBondContact O-N 3.28Å; L403-L408 HydrophobicContact CD2-CB 4.39Å; L403-L408 HydrophobicContact CD2-CD1 4.12Å; L403-L408 PolarHBondContact O-N 3.02Å
404K75.5Confident67.4Low117 Ų117121.3 Ų121.351%0.50964%0.639SS.*Hα-helixtrans-69.3-37.4175.3-73.1170.5-178-87.40112.7M400 S401 L406 G407 D409M400-K404 WeakPolarHBondContact O-CG 3.46Å; M400-K404 PolarHBondContact O-N 3.07Å; M400-K404 VanDerWaalsContact O-N 3.16Å; S401-K404 PolarHBondContact O-N 2.89Å; K404-L406 PolarHBondContact O-N 3.25Å; K404-G407 PolarHBondContact O-N 3.21Å; K404-D409 WeakPolarHBondContact CE-OD1 3.26Å; K404-D409 IonicContact NZ-OD1 3.46Å; K404-D409 PolarHBondContact NZ-OD1 3.19Å
405E77.1Confident67.4Low127 Ų127120 Ų12059%0.59364%0.639SS**Hα-helixtrans-64-24.9170.5-72-173.1149.600112.9K397 S401 R402 G407K397-E405 WeakPolarHBondContact CD-OE2 3.22Å; K397-E405 IonicContact NZ-OE1 2.92Å; K397-E405 PolarHBondContact NZ-OE1 2.74Å; K397-E405 IonicContact NZ-OE2 3.08Å; K397-E405 PolarHBondContact NZ-OE2 3.09Å; S401-E405 PolarHBondContact O-N 3.09Å; R402-E405 PolarHBondContact O-N 2.98Å; E405-G407 VanDerWaalsContact C-N 3.33Å
406L73.8Confident67.1Low123 Ų123122.2 Ų122.264%0.64464%0.644SS**THydrogen-bonded Turntrans-89.49.3172.3-66.6169.5000113.5R402 L403 K404 L408R402-L406 VanDerWaalsContact O-CG 3.29Å; R402-L406 WeakPolarHBondContact O-CG 3.18Å; R402-L406 PolarHBondContact O-N 3.47Å; R402-L406 VanDerWaalsContact O-N 3.14Å; L403-L406 CarbonylContact O-C 3.41Å; L403-L406 PolarHBondContact O-N 3.18Å; K404-L406 PolarHBondContact O-N 3.25Å; L406-L408 VanDerWaalsContact C-N 3.3Å; L406-L408 PolarHBondContact O-N 3.03Å
407G68.7Low66.5Low63 Ų63116.4 Ų116.465%0.64963%0.63SS**THydrogen-bonded Turntrans76.17.5175.400000115.8L403 K404 E405 D409L403-G407 PolarHBondContact O-N 3.28Å; K404-G407 PolarHBondContact O-N 3.21Å; E405-G407 VanDerWaalsContact C-N 3.33Å; G407-D409 PolarHBondContact O-N 3.48Å
408L70.6Confident65.3Low117 Ų117117.8 Ų117.861%0.61365%0.65SS**  trans-9572.9-178-61.4-179.9000111.3L403 L406L403-L408 HydrophobicContact CD2-CB 4.39Å; L403-L408 HydrophobicContact CD2-CD1 4.12Å; L403-L408 PolarHBondContact O-N 3.02Å; L406-L408 VanDerWaalsContact C-N 3.3Å; L406-L408 PolarHBondContact O-N 3.03Å
409D72.1Confident63.5Low105 Ų105120.6 Ų120.656%0.56167%0.665SS**PPolyproline II helixtrans-82.5132.3169.3-148.437.7000110K404 G407K404-D409 WeakPolarHBondContact CE-OD1 3.26Å; K404-D409 IonicContact NZ-OD1 3.46Å; K404-D409 PolarHBondContact NZ-OD1 3.19Å; G407-D409 PolarHBondContact O-N 3.48Å
410P66.3Low62.5Low88 Ų88119 Ų11957%0.57167%0.671SS**PPolyproline II helixtrans-69.5143.6-172.927.3-34.3000112
411P68.3Low62.1Low115 Ų115116.5 Ų116.575%0.74767%0.673SS**PPolyproline II helixtrans-63.3145179.927-34.8000111.3
412P64.8Low61.2Low118 Ų118118.3 Ų118.377%0.76669%0.692SS**PPolyproline II helixtrans-63138.8-179.226.2-34.4000110.8A414P412-A414 PolarHBondContact O-N 2.79Å
413P54.7Low60.1Low117 Ų117119.4 Ų119.476%0.7670%0.702SS**PPolyproline II helixtrans-63.3129.9-174.724.7-34.1000111.5K415P413-K415 PolarHBondContact O-N 2.86Å; P413-K415 VanDerWaalsContact O-N 3.16Å
414A49.5Very low58.9Low95 Ų95121.8 Ų121.879%0.78572%0.719SS**  trans-62.6114.6-17900000111P412 L416P412-A414 PolarHBondContact O-N 2.79Å; A414-L416 PolarHBondContact O-N 3.33Å
415K48.7Very low57.8Low194 Ų194123.7 Ų123.784%0.84373%0.729SS**  trans-81.6105.2173.7-66179.3-177.8176.50108.9P413 S417P413-K415 PolarHBondContact O-N 2.86Å; P413-K415 VanDerWaalsContact O-N 3.16Å; K415-S417 VanDerWaalsContact C-N 3.29Å; K415-S417 PolarHBondContact O-N 3.07Å
416L47.6Very low56.6Low168 Ų168124.5 Ų124.588%0.8874%0.737SS**  trans-71.886.3168-65.4178.2000109.7A414A414-L416 PolarHBondContact O-N 3.33Å
417S45.7Very low55.8Low90 Ų90124.5 Ų124.563%0.62974%0.738SS**  trans-70.9131.2159.547.50000109.2K415 D419K415-S417 VanDerWaalsContact C-N 3.29Å; K415-S417 PolarHBondContact O-N 3.07Å; S417-D419 PolarHBondContact O-N 2.79Å; S417-D419 VanDerWaalsContact O-N 3.09Å
418P46.6Very low55.3Low139 Ų139129 Ų12990%0.90375%0.746SS**  trans-64.9108.7163.4-13.928.9000108.1
419D38.7Very low54.8Low150 Ų150128.7 Ų128.780%0.80275%0.751SS**  trans-108.4162.5172.9-157.21.9000109.8S417S417-D419 PolarHBondContact O-N 2.79Å; S417-D419 VanDerWaalsContact O-N 3.09Å
420D54Low54.4Low162 Ų162131 Ų13187%0.86676%0.758SS**SBendtrans-71.5145.2-146.4-138.2-18.7000116.2
421G59.3Low54.1Low56 Ų56132 Ų13258%0.57777%0.766SS**  trans116.3-18.3154.400000120.3
422A54.1Low54.6Low97 Ų97131.1 Ų131.180%0.80276%0.755SS**  trans-98.692.1-175.200000113.5V424A422-V424 PolarHBondContact O-N 3.44Å; A422-V424 VanDerWaalsContact O-N 3.08Å
423F50.1Low55.5Low195 Ų195130.1 Ų130.186%0.85575%0.749SS**  trans-70.9100.3-179.2-73.8-95.9000113.4
424V51.6Low57Low122 Ų122127.1 Ų127.174%0.73974%0.739SS**  trans-113.584.8155-179.50000108.1A422 L426A422-V424 PolarHBondContact O-N 3.44Å; A422-V424 VanDerWaalsContact O-N 3.08Å; V424-L426 VanDerWaalsContact C-N 3.27Å; V424-L426 HydrophobicContact CG1-CD1 4.08Å; V424-L426 HydrophobicContact CG1-CG 3.97Å; V424-L426 PolarHBondContact O-N 3.36Å
425Q51.8Low58.7Low156 Ų156127.1 Ų127.173%0.72973%0.729SS**  trans-78.182.9169.7-174.3172.7-23.200109.3D427Q425-D427 PolarHBondContact NE2-OD1 2.97Å
426L52.3Low60.5Low144 Ų144120.4 Ų120.475%0.75471%0.71SS**  trans-83113.6152.8-72.2168.5000106.6V424 L428V424-L426 VanDerWaalsContact C-N 3.27Å; V424-L426 HydrophobicContact CG1-CD1 4.08Å; V424-L426 HydrophobicContact CG1-CG 3.97Å; V424-L426 PolarHBondContact O-N 3.36Å; L426-L428 PolarHBondContact O-N 3.16Å
427D55.5Low62.5Low124 Ų124114.3 Ų114.366%0.66368%0.683SS**PPolyproline II helixtrans-57.6133.1-180-70.3-41000110.3Q425Q425-D427 PolarHBondContact NE2-OD1 2.97Å
428L59.2Low64.6Low158 Ų158115.3 Ų115.383%0.82768%0.681SS**PPolyproline II helixtrans-55.7124-178.6-80.168.3000108.9L426 H430L426-L428 PolarHBondContact O-N 3.16Å; L428-H430 PolarHBondContact O-N 3.33Å
429P60.9Low66.6Low109 Ų109115.6 Ų115.671%0.70867%0.668SS**PPolyproline II helixtrans-59119.7178.423.3-32.2000108.2C431P429-C431 PolarHBondContact O-N 2.95Å; P429-C431 PolarHBondContact O-SG 3.08Å
430H62.1Low68.9Low155 Ų155113 Ų11372%0.71865%0.651SS**  trans-60100-168.9-172.986.1000109.9L428 N432L428-H430 PolarHBondContact O-N 3.33Å; H430-N432 VanDerWaalsContact C-N 3.3Å; H430-N432 PolarHBondContact O-N 3.01Å
431C61.3Low70.4Confident108 Ų108112.6 Ų112.673%0.7364%0.637SS**  trans-7187.6-172.1-760000109.7P429 P433P429-C431 PolarHBondContact O-N 2.95Å; P429-C431 PolarHBondContact O-SG 3.08Å; C431-P433 VanDerWaalsContact O-N 3.13Å
432N78.1Confident71.9Confident96 Ų96117.3 Ų117.351%0.51364%0.639SS.*  trans-45.4119.4-179.2-74.3-64.7000110.2H430 G434 V435 A436H430-N432 VanDerWaalsContact C-N 3.3Å; H430-N432 PolarHBondContact O-N 3.01Å; N432-G434 PolarHBondContact O-N 3.16Å; N432-G434 VanDerWaalsContact O-N 3.08Å; N432-V435 HydrophobicContact CB-CB 4.37Å; N432-V435 HydrophobicContact CB-CG2 3.97Å; N432-V435 WeakPolarHBondContact O-CA 3.1Å; N432-V435 WeakPolarHBondContact O-CB 3.17Å; N432-V435 PolarHBondContact O-N 3.46Å; N432-A436 PolarHBondContact O-N 2.63Å; N432-A436 VanDerWaalsContact O-N 3.14Å
433P83.1Confident73.4Confident98 Ų98116.1 Ų116.164%0.63662%0.619SS**Hα-helixtrans-62.8-25.2-171.421.6-32.3000112.6C431 A436 A437C431-P433 VanDerWaalsContact O-N 3.13Å; P433-A436 PolarHBondContact O-N 3.31Å; P433-A437 VanDerWaalsContact O-CB 3.23Å; P433-A437 WeakPolarHBondContact O-CB 3.4Å; P433-A437 PolarHBondContact O-N 2.92Å
434G86.9Confident74.9Confident54 Ų54115.4 Ų115.456%0.55761%0.61SS**Hα-helixtrans-64-36.917000000114N432 L438N432-G434 PolarHBondContact O-N 3.16Å; N432-G434 VanDerWaalsContact O-N 3.08Å; G434-L438 VanDerWaalsContact O-CB 3.23Å; G434-L438 WeakPolarHBondContact O-CB 3.23Å; G434-L438 PolarHBondContact O-N 2.71Å
435V84.7Confident75.9Confident95 Ų95116.8 Ų116.858%0.57661%0.608SS**Hα-helixtrans-74.2-39.2176.6-179.70000110.6N432 L438 K439N432-V435 HydrophobicContact CB-CB 4.37Å; N432-V435 HydrophobicContact CB-CG2 3.97Å; N432-V435 WeakPolarHBondContact O-CA 3.1Å; N432-V435 WeakPolarHBondContact O-CB 3.17Å; N432-V435 PolarHBondContact O-N 3.46Å; V435-L438 PolarHBondContact O-N 2.78Å; V435-K439 WeakPolarHBondContact O-CB 3.16Å; V435-K439 PolarHBondContact O-N 3.49Å
436A86.9Confident77.2Confident53 Ų53113.7 Ų113.744%0.43860%0.6SS.*Hα-helixtrans-61.3-48.3172.500000111.5N432 P433 L438 K439 E440N432-A436 PolarHBondContact O-N 2.63Å; N432-A436 VanDerWaalsContact O-N 3.14Å; P433-A436 PolarHBondContact O-N 3.31Å; A436-L438 VanDerWaalsContact C-N 3.31Å; A436-L438 PolarHBondContact O-N 3.45Å; A436-K439 PolarHBondContact O-N 2.77Å; A436-E440 WeakPolarHBondContact O-CB 3.46Å; A436-E440 PolarHBondContact O-N 3.04Å
437A89.6Confident78.2Confident39 Ų39113.2 Ų113.232%0.32259%0.594SS.*Hα-helixtrans-67.8-27.2176.900000113.4P433 R441P433-A437 VanDerWaalsContact O-CB 3.23Å; P433-A437 WeakPolarHBondContact O-CB 3.4Å; P433-A437 PolarHBondContact O-N 2.92Å; A437-R441 WeakPolarHBondContact O-CB 3.42Å; A437-R441 PolarHBondContact O-N 2.98Å
438L89.6Confident78.5Confident112 Ų112111.1 Ų111.159%0.58659%0.594SS**Hα-helixtrans-71.6-46.1171.3-178.861.8000110.9G434 V435 A436 E440 R441 Y442G434-L438 VanDerWaalsContact O-CB 3.23Å; G434-L438 WeakPolarHBondContact O-CB 3.23Å; G434-L438 PolarHBondContact O-N 2.71Å; V435-L438 PolarHBondContact O-N 2.78Å; A436-L438 VanDerWaalsContact C-N 3.31Å; A436-L438 PolarHBondContact O-N 3.45Å; L438-E440 VanDerWaalsContact C-N 3.35Å; L438-E440 PolarHBondContact O-N 2.92Å; L438-R441 PolarHBondContact O-N 2.78Å; L438-Y442 VanDerWaalsContact O-CB 3.31Å; L438-Y442 WeakPolarHBondContact O-CB 3.46Å; L438-Y442 PolarHBondContact O-N 2.77Å
439K87.9Confident78.6Confident145 Ų145109.1 Ų109.163%0.6359%0.59SS**Hα-helixtrans-60.4-43.2175.2-177.2176.4179.9177.20111.6V435 A436 L443V435-K439 WeakPolarHBondContact O-CB 3.16Å; V435-K439 PolarHBondContact O-N 3.49Å; A436-K439 PolarHBondContact O-N 2.77Å; K439-L443 HydrophobicContact CG-CD1 4.15Å; K439-L443 WeakPolarHBondContact O-CB 3.26Å; K439-L443 VanDerWaalsContact O-CG 3.3Å; K439-L443 WeakPolarHBondContact O-CG 3.25Å; K439-L443 PolarHBondContact O-N 2.91Å
440E87.9Confident78.4Confident96 Ų96110.7 Ų110.745%0.44960%0.598SS.*Hα-helixtrans-63.1-46.5175.6-165.5-162.8159.300111.6A436 L438 Y442 L443 R444A436-E440 WeakPolarHBondContact O-CB 3.46Å; A436-E440 PolarHBondContact O-N 3.04Å; L438-E440 VanDerWaalsContact C-N 3.35Å; L438-E440 PolarHBondContact O-N 2.92Å; E440-Y442 PolarHBondContact O-N 3.22Å; E440-L443 PolarHBondContact O-N 3.38Å; E440-R444 WeakPolarHBondContact O-CG 3.49Å; E440-R444 PolarHBondContact O-N 3.4Å; E440-R444 IonicContact OE1-CZ 3.25Å; E440-R444 VanDerWaalsContact OE1-CZ 3.24Å; E440-R444 IonicContact OE1-NE 2.72Å; E440-R444 PolarHBondContact OE1-NE 3.12Å; E440-R444 IonicContact OE1-NH2 2.92Å; E440-R444 PolarHBondContact OE1-NH2 2.95Å
441R84.9Confident78.3Confident152 Ų152113.8 Ų113.857%0.57460%0.603SS**Hα-helixtrans-64-41.2178.5-164.9-173.3-45-158.53.9112A437 L438 R444 H445A437-R441 WeakPolarHBondContact O-CB 3.42Å; A437-R441 PolarHBondContact O-N 2.98Å; L438-R441 PolarHBondContact O-N 2.78Å; R441-R444 PolarHBondContact O-N 2.68Å; R441-H445 PolarHBondContact O-CD2 3.2Å; R441-H445 PolarHBondContact O-N 3.15Å
442Y90.8Very high78.3Confident155 Ų155113.5 Ų113.561%0.60860%0.6SS**Hα-helixtrans-60.3-47.7173.4180-99.5000111.3L438 E440 R444 H445 V446L438-Y442 VanDerWaalsContact O-CB 3.31Å; L438-Y442 WeakPolarHBondContact O-CB 3.46Å; L438-Y442 PolarHBondContact O-N 2.77Å; E440-Y442 PolarHBondContact O-N 3.22Å; Y442-R444 VanDerWaalsContact C-N 3.33Å; Y442-R444 PolarHBondContact O-N 2.77Å; Y442-H445 PolarHBondContact O-N 3.01Å; Y442-V446 HydrophobicContact CD1-CG2 4.18Å; Y442-V446 HydrophobicContact CD2-CG2 4.3Å; Y442-V446 HydrophobicContact CE1-CG2 3.79Å; Y442-V446 HydrophobicContact CE2-CG2 3.91Å; Y442-V446 HydrophobicContact CG-CG2 4.42Å; Y442-V446 WeakPolarHBondContact O-CG2 3.44Å; Y442-V446 PolarHBondContact O-N 2.74Å
443L86.5Confident77.3Confident73 Ų73112.9 Ų112.938%0.38260%0.601SS.*Hα-helixtrans-59.4-40.8174.7-74.7165.5000112.3K439 E440 H445 V446 Q447K439-L443 HydrophobicContact CG-CD1 4.15Å; K439-L443 WeakPolarHBondContact O-CB 3.26Å; K439-L443 VanDerWaalsContact O-CG 3.3Å; K439-L443 WeakPolarHBondContact O-CG 3.25Å; K439-L443 PolarHBondContact O-N 2.91Å; E440-L443 PolarHBondContact O-N 3.38Å; L443-H445 VanDerWaalsContact C-N 3.26Å; L443-H445 PolarHBondContact O-N 3.49Å; L443-V446 PolarHBondContact O-N 3.37Å; L443-Q447 VanDerWaalsContact O-CB 3.28Å; L443-Q447 WeakPolarHBondContact O-CB 3.42Å; L443-Q447 WeakPolarHBondContact O-CG 3.3Å; L443-Q447 PolarHBondContact O-N 2.9Å
444R80.9Confident76.2Confident179 Ų179112.3 Ų112.368%0.67560%0.595SS**Hα-helixtrans-67.2-18.5173.8-69.4179.9-174-148.69.6114.4E440 R441 Y442E440-R444 WeakPolarHBondContact O-CG 3.49Å; E440-R444 PolarHBondContact O-N 3.4Å; E440-R444 IonicContact OE1-CZ 3.25Å; E440-R444 VanDerWaalsContact OE1-CZ 3.24Å; E440-R444 IonicContact OE1-NE 2.72Å; E440-R444 PolarHBondContact OE1-NE 3.12Å; E440-R444 IonicContact OE1-NH2 2.92Å; E440-R444 PolarHBondContact OE1-NH2 2.95Å; R441-R444 PolarHBondContact O-N 2.68Å; Y442-R444 VanDerWaalsContact C-N 3.33Å; Y442-R444 PolarHBondContact O-N 2.77Å
445H73.6Confident75.4Confident151 Ų151114.3 Ų114.370%0.69959%0.59SS**Hα-helixtrans-93.9-31.4174.6-75.6-61.2000112.9R441 Y442 L443R441-H445 PolarHBondContact O-CD2 3.2Å; R441-H445 PolarHBondContact O-N 3.15Å; Y442-H445 PolarHBondContact O-N 3.01Å; L443-H445 VanDerWaalsContact C-N 3.26Å; L443-H445 PolarHBondContact O-N 3.49Å
446V79.4Confident74.8Confident91 Ų91116.6 Ų116.655%0.55259%0.589SS**Hα-helixtrans-82.1-36.9177.7174.40000111.7Y442 L443 A448Y442-V446 HydrophobicContact CD1-CG2 4.18Å; Y442-V446 HydrophobicContact CD2-CG2 4.3Å; Y442-V446 HydrophobicContact CE1-CG2 3.79Å; Y442-V446 HydrophobicContact CE2-CG2 3.91Å; Y442-V446 HydrophobicContact CG-CG2 4.42Å; Y442-V446 WeakPolarHBondContact O-CG2 3.44Å; Y442-V446 PolarHBondContact O-N 2.74Å; L443-V446 PolarHBondContact O-N 3.37Å; V446-A448 PolarHBondContact O-N 3.34Å; V446-A448 VanDerWaalsContact O-N 3.17Å
447Q73Confident74.1Confident135 Ų135118.7 Ų118.763%0.63160%0.596SS**SBendtrans-8293.5173.6-63.3-178.75.800109.6L443L443-Q447 VanDerWaalsContact O-CB 3.28Å; L443-Q447 WeakPolarHBondContact O-CB 3.42Å; L443-Q447 WeakPolarHBondContact O-CG 3.3Å; L443-Q447 PolarHBondContact O-N 2.9Å
448A62.2Low73.9Confident79 Ų79119.8 Ų119.865%0.65360%0.599SS**  trans-54.8129.7168.400000109.5V446 V450V446-A448 PolarHBondContact O-N 3.34Å; V446-A448 VanDerWaalsContact O-N 3.17Å; A448-V450 PolarHBondContact O-N 3.08Å
449P59.3Low73.4Confident117 Ų117120.9 Ų120.976%0.7660%0.601SS**  trans-68.3106.2-175.826.1-33.5000110.1R451P449-R451 PolarHBondContact O-N 3.38Å
450V57.3Low73.3Confident142 Ų142118.1 Ų118.186%0.86159%0.592SS**  trans-56.6111.2173.8-179.60000108.3A448A448-V450 PolarHBondContact O-N 3.08Å
451R60.7Low73.1Confident219 Ų219118 Ų11883%0.82660%0.598SS**PPolyproline II helixtrans-68.5135.2173.5-63.9-178.4-179177.91.3107.7P449P449-R451 PolarHBondContact O-N 3.38Å
452P60.3Low73.2Confident103 Ų103114.4 Ų114.467%0.66959%0.593SS**PPolyproline II helixtrans-59.7144.8169.827.5-33.9000109.1V454P452-V454 PolarHBondContact O-N 2.78Å
453P57.4Low73Confident83 Ų83112.5 Ų112.554%0.53959%0.592SS.*PPolyproline II helixtrans-58.5125.3179.624.5-33.8000109.6E455P453-E455 PolarHBondContact O-N 2.76Å; P453-E455 VanDerWaalsContact O-N 3.11Å
454V60.8Low72.8Confident85 Ų85116.2 Ų116.252%0.51560%0.601SS.*EExtended strand (participates in β ladder)trans-87.384.6-177.7-176.50000107.4P452 R456P452-V454 PolarHBondContact O-N 2.78Å; V454-R456 HydrophobicContact CG1-CG 4.07Å; V454-R456 WeakPolarHBondContact O-CG 3.4Å; V454-R456 PolarHBondContact O-N 3.18Å
455E69.4Low73Confident96 Ų96113.4 Ų113.445%0.44959%0.594SS.*EExtended strand (participates in β ladder)trans-66.1103.5176-59.8-164.1159.600109.8P453 T457 K485P453-E455 PolarHBondContact O-N 2.76Å; P453-E455 VanDerWaalsContact O-N 3.11Å; E455-T457 PolarHBondContact O-N 3.35Å; E455-K485 HydrophobicContact CG-CG 4.3Å; E455-K485 WeakPolarHBondContact OE1-CD 3.18Å; E455-K485 VanDerWaalsContact OE1-CE 3.25Å; E455-K485 WeakPolarHBondContact OE1-CE 3.32Å; E455-K485 IonicContact OE1-NZ 2.78Å; E455-K485 PolarHBondContact OE1-NZ 3.09Å; E455-K485 IonicContact OE2-NZ 3.95Å
456R72.9Confident73.3Confident144 Ų144108.2 Ų108.254%0.54357%0.571SS.*EExtended strand (participates in β ladder)trans-89.697.3-178.5-61.1-173.670.485-0.4109.2V454 V458 V484 E486V454-R456 HydrophobicContact CG1-CG 4.07Å; V454-R456 WeakPolarHBondContact O-CG 3.4Å; V454-R456 PolarHBondContact O-N 3.18Å; R456-V458 PolarHBondContact O-N 2.97Å; R456-V484 HydrophobicContact CB-CB 4.48Å; R456-V484 PolarHBondContact N-O 2.95Å; R456-V484 PolarHBondContact O-N 3.34Å; R456-E486 VanDerWaalsContact CD-OE2 3.27Å; R456-E486 WeakPolarHBondContact CD-OE2 3.48Å
457T71.9Confident73.3Confident97 Ų97108 Ų10860%0.59557%0.574SS**EExtended strand (participates in β ladder)trans-78.8111.7173.563.90000110.1E455 T483E455-T457 PolarHBondContact O-N 3.35Å; T457-T483 HydrophobicContact CG2-CG2 3.91Å
458V84.4Confident73.3Confident62 Ų62102.7 Ų102.738%0.37655%0.553SS.*EExtended strand (participates in β ladder)trans-109.6123.8179.6-176.10000109R456 L460 V482R456-V458 PolarHBondContact O-N 2.97Å; V458-L460 HydrophobicContact CG1-CD2 3.73Å; V458-L460 HydrophobicContact CG1-CG 4.32Å; V458-V482 PolarHBondContact N-O 3.42Å; V458-V482 PolarHBondContact O-N 2.61Å
459Q80.4Confident73.6Confident134 Ų134106 Ų10663%0.62657%0.568SS**EExtended strand (participates in β ladder)trans-88.3111.6169.1-61.6-161.719.100109.2T481Q459-T481 HydrophobicContact CG-CG2 4.27Å
460L84.9Confident74.2Confident87 Ų87104.9 Ų104.946%0.45556%0.563SS.*EExtended strand (participates in β ladder)trans-91.1118.2174.5-59.7179000108.5V458 V462 S479 V480 V482V458-L460 HydrophobicContact CG1-CD2 3.73Å; V458-L460 HydrophobicContact CG1-CG 4.32Å; L460-V462 PolarHBondContact O-N 3.44Å; L460-S479 CarbonylContact O-C 3.57Å; L460-S479 WeakPolarHBondContact O-CA 3.29Å; L460-V480 PolarHBondContact N-O 3.18Å; L460-V480 PolarHBondContact O-N 2.78Å; L460-V482 HydrophobicContact CD1-CB 4.47Å; L460-V482 HydrophobicContact CD1-CG2 3.73Å; L460-V482 HydrophobicContact CG-CG2 4.33Å
461T83.3Confident75.1Confident93 Ų93101.2 Ų101.257%0.57155%0.553SS**EExtended strand (participates in β ladder)trans-90.7100.5174.8-55.80000109
462V87.2Confident75.6Confident77 Ų7797.9 Ų97.947%0.46755%0.547SS..EExtended strand (participates in β ladder)trans-83.5121.7175.7-177.40000108.1L460 S477 E478 V480L460-V462 PolarHBondContact O-N 3.44Å; V462-S477 CarbonylContact O-C 3.55Å; V462-S477 WeakPolarHBondContact O-CA 3.48Å; V462-E478 PolarHBondContact N-O 2.97Å; V462-E478 PolarHBondContact O-N 3.14Å; V462-V480 HydrophobicContact CG2-CG2 4.35Å
463I86.6Confident76.6Confident115 Ų11598.7 Ų98.759%0.5954%0.542SS*.EExtended strand (participates in β ladder)trans-96.7106.1174.6-57178.6000108.2L475 R476I463-L475 HydrophobicContact CG2-CB 3.96Å; I463-L475 HydrophobicContact CG2-CD2 4.15Å; I463-L475 HydrophobicContact CG2-CG 4.47Å; I463-R476 WeakPolarHBondContact CA-O 3.44Å
464R82.8Confident77.7Confident152 Ų15299.2 Ų99.257%0.57454%0.537SS*.EExtended strand (participates in β ladder)trans-94.4139.6176.5-178.7173.8166.41375.4109.8D466 R476R464-D466 IonicContact CZ-OD1 3.33Å; R464-D466 IonicContact NE-OD1 2.71Å; R464-D466 PolarHBondContact NE-OD1 3.36Å; R464-D466 IonicContact NE-OD2 2.57Å; R464-D466 IonicContact NH2-OD1 2.74Å; R464-D466 PolarHBondContact NH2-OD1 2.8Å; R464-R476 PolarHBondContact N-O 2.81Å; R464-R476 PolarHBondContact O-N 3.18Å
465K84.9Confident78.9Confident120 Ų120101.1 Ų101.152%0.52254%0.544SS..EExtended strand (participates in β ladder)trans-96.7103.3175-168.3-168.8-164-153.70108.5E473 L475K465-E473 VanDerWaalsContact CE-OE1 3.29Å; K465-E473 WeakPolarHBondContact CE-OE1 3.48Å; K465-E473 WeakPolarHBondContact CE-OE2 3.4Å; K465-E473 HydrophobicContact CG-CB 4.43Å; K465-E473 IonicContact NZ-OE1 2.61Å; K465-E473 PolarHBondContact NZ-OE1 2.92Å; K465-E473 IonicContact NZ-OE2 3.46Å; K465-E473 PolarHBondContact NZ-OE2 3.16Å; K465-L475 HydrophobicContact CB-CD2 3.88Å; K465-L475 HydrophobicContact CG-CD2 3.9Å
466D79.9Confident79.3Confident42 Ų42102.8 Ų102.823%0.22555%0.546CS..EExtended strand (participates in β ladder)trans-107.4129.5179.2-76.5-37.1000110.5R464 A468 E474R464-D466 IonicContact CZ-OD1 3.33Å; R464-D466 IonicContact NE-OD1 2.71Å; R464-D466 PolarHBondContact NE-OD1 3.36Å; R464-D466 IonicContact NE-OD2 2.57Å; R464-D466 IonicContact NH2-OD1 2.74Å; R464-D466 PolarHBondContact NH2-OD1 2.8Å; D466-A468 PolarHBondContact O-N 2.87Å; D466-E474 PolarHBondContact N-O 2.76Å; D466-E474 PolarHBondContact O-N 2.85Å
467S80.5Confident79.7Confident86 Ų86100.1 Ų100.160%0.60155%0.55SS*.EExtended strand (participates in β ladder)trans-76.6116.8170.6-62.90000110
468A71.8Confident80.2Confident24 Ų24101.8 Ų101.820%0.19855%0.55CS.*  trans-63153.216900000110.2D466 S470 G471 Q472D466-A468 PolarHBondContact O-N 2.87Å; A468-S470 PolarHBondContact O-N 2.96Å; A468-G471 PolarHBondContact O-N 3.39Å; A468-Q472 WeakPolarHBondContact CB-O 3.4Å; A468-Q472 PolarHBondContact N-O 3.41Å
469P68.4Low79.9Confident149 Ų149102.3 Ų102.397%0.96856%0.557SS**THydrogen-bonded Turntrans-64.4-2.7178.227-35.9000114.3
470S71.8Confident80.2Confident93 Ų9399 Ų9965%0.6555%0.546SS*.THydrogen-bonded Turntrans-87.40.7168.653.50000114.2A468 Q472A468-S470 PolarHBondContact O-N 2.96Å; S470-Q472 VanDerWaalsContact C-N 3.28Å; S470-Q472 PolarHBondContact O-N 2.84Å
471G76.4Confident79.9Confident64 Ų6498.4 Ų98.466%0.6655%0.546SS*.SBendtrans75.411.1-176.500000114.7A468A468-G471 PolarHBondContact O-N 3.39Å
472Q70.6Confident79.7Confident149 Ų14996.9 Ų96.970%0.69654%0.536SS*.  trans-96134.5170.8-69.4-162.4-25.700110.9A468 S470A468-Q472 WeakPolarHBondContact CB-O 3.4Å; A468-Q472 PolarHBondContact N-O 3.41Å; S470-Q472 VanDerWaalsContact C-N 3.28Å; S470-Q472 PolarHBondContact O-N 2.84Å
473E82.4Confident79.3Confident120 Ų12097 Ų9756%0.56154%0.537SS*.EExtended strand (participates in β ladder)trans-84.3117.3-179.4-50.3-175.8114.300109.9K465K465-E473 VanDerWaalsContact CE-OE1 3.29Å; K465-E473 WeakPolarHBondContact CE-OE1 3.48Å; K465-E473 WeakPolarHBondContact CE-OE2 3.4Å; K465-E473 HydrophobicContact CG-CB 4.43Å; K465-E473 IonicContact NZ-OE1 2.61Å; K465-E473 PolarHBondContact NZ-OE1 2.92Å; K465-E473 IonicContact NZ-OE2 3.46Å; K465-E473 PolarHBondContact NZ-OE2 3.16Å
474E80.6Confident78.7Confident95 Ų9594.9 Ų94.944%0.44453%0.529SS..EExtended strand (participates in β ladder)trans-109130.3-179.7-172175.2-125.800110.1D466 R476D466-E474 PolarHBondContact N-O 2.76Å; D466-E474 PolarHBondContact O-N 2.85Å; E474-R476 HydrophobicContact CG-CG 4.28Å; E474-R476 IonicContact OE2-CZ 2.96Å; E474-R476 IonicContact OE2-NE 3.18Å; E474-R476 PolarHBondContact OE2-NE 3.29Å; E474-R476 IonicContact OE2-NH2 3.33Å; E474-R476 PolarHBondContact OE2-NH2 3.31Å
475L84.8Confident78.1Confident124 Ų12493.5 Ų93.565%0.64953%0.528SS*.EExtended strand (participates in β ladder)trans-85.4112.2174-66.4177.4000109.5I463 K465I463-L475 HydrophobicContact CG2-CB 3.96Å; I463-L475 HydrophobicContact CG2-CD2 4.15Å; I463-L475 HydrophobicContact CG2-CG 4.47Å; K465-L475 HydrophobicContact CB-CD2 3.88Å; K465-L475 HydrophobicContact CG-CD2 3.9Å
476R79.4Confident76.9Confident132 Ų13293.6 Ų93.650%0.49853%0.53SS..EExtended strand (participates in β ladder)trans-107123.6-179.7-67.2-175.2172.3179.9-1110.4I463 R464 E474I463-R476 WeakPolarHBondContact CA-O 3.44Å; R464-R476 PolarHBondContact N-O 2.81Å; R464-R476 PolarHBondContact O-N 3.18Å; E474-R476 HydrophobicContact CG-CG 4.28Å; E474-R476 IonicContact OE2-CZ 2.96Å; E474-R476 IonicContact OE2-NE 3.18Å; E474-R476 PolarHBondContact OE2-NE 3.29Å; E474-R476 IonicContact OE2-NH2 3.33Å; E474-R476 PolarHBondContact OE2-NH2 3.31Å
477S80.7Confident75.7Confident88 Ų8894.7 Ų94.762%0.61555%0.551SS**EExtended strand (participates in β ladder)trans-92.5112.4177.156.80000110.8V462V462-S477 CarbonylContact O-C 3.55Å; V462-S477 WeakPolarHBondContact O-CA 3.48Å
478E82.1Confident74.1Confident131 Ų13194.2 Ų94.261%0.61255%0.553SS**EExtended strand (participates in β ladder)trans-103.4126.7173.2-174.4168.5-165.400110.3V462V462-E478 PolarHBondContact N-O 2.97Å; V462-E478 PolarHBondContact O-N 3.14Å
479S78.9Confident73.2Confident73 Ų73101 Ų10151%0.5158%0.58SS.*EExtended strand (participates in β ladder)trans-96.993.9-176.558.10000111.6L460L460-S479 CarbonylContact O-C 3.57Å; L460-S479 WeakPolarHBondContact O-CA 3.29Å
480V85.3Confident72.6Confident65 Ų65101 Ų10139%0.39457%0.567SS.*EExtended strand (participates in β ladder)trans-84.4120.8177.3-1770000109.5L460 V462 V482L460-V480 PolarHBondContact N-O 3.18Å; L460-V480 PolarHBondContact O-N 2.78Å; V462-V480 HydrophobicContact CG2-CG2 4.35Å; V480-V482 HydrophobicContact CG1-CG2 4.25Å
481T79.3Confident72Confident75 Ų75103.8 Ų103.846%0.4657%0.574SS.*EExtended strand (participates in β ladder)trans-91.4112.3177.1-57.10000110.5Q459Q459-T481 HydrophobicContact CG-CG2 4.27Å
482V79.4Confident71Confident60 Ų60105 Ų10536%0.36458%0.578SS.*EExtended strand (participates in β ladder)trans-102.4125.1177-178.80000109.5V458 L460 V480 V484V458-V482 PolarHBondContact N-O 3.42Å; V458-V482 PolarHBondContact O-N 2.61Å; L460-V482 HydrophobicContact CD1-CB 4.47Å; L460-V482 HydrophobicContact CD1-CG2 3.73Å; L460-V482 HydrophobicContact CG-CG2 4.33Å; V480-V482 HydrophobicContact CG1-CG2 4.25Å; V482-V484 HydrophobicContact CG1-CG2 4.24Å
483T78.8Confident70.4Confident80 Ų8099.8 Ų99.849%0.49156%0.56SS.*EExtended strand (participates in β ladder)trans-102.196.4-178.662.70000110.5T457 K485T457-T483 HydrophobicContact CG2-CG2 3.91Å; T483-K485 PolarHBondContact O-N 2.93Å
484V74.4Confident69.4Low70 Ų7099.6 Ų99.642%0.42457%0.567SS.*EExtended strand (participates in β ladder)trans-81.3114.4-179-176.20000109.8R456 V482 E486R456-V484 HydrophobicContact CB-CB 4.48Å; R456-V484 PolarHBondContact N-O 2.95Å; R456-V484 PolarHBondContact O-N 3.34Å; V482-V484 HydrophobicContact CG1-CG2 4.24Å; V484-E486 PolarHBondContact O-N 2.8Å
485K69.6Low69.5Low123 Ų123102 Ų10254%0.53558%0.576SS.*EExtended strand (participates in β ladder)trans-8972.7176.7-63-162.1-178.8-131.70111.3E455 T483 G487 A488E455-K485 HydrophobicContact CG-CG 4.3Å; E455-K485 WeakPolarHBondContact OE1-CD 3.18Å; E455-K485 VanDerWaalsContact OE1-CE 3.25Å; E455-K485 WeakPolarHBondContact OE1-CE 3.32Å; E455-K485 IonicContact OE1-NZ 2.78Å; E455-K485 PolarHBondContact OE1-NZ 3.09Å; E455-K485 IonicContact OE2-NZ 3.95Å; T483-K485 PolarHBondContact O-N 2.93Å; K485-G487 PolarHBondContact O-N 2.74Å; K485-A488 HydrophobicContact CB-CB 4.29Å
486E59.5Low68.9Low123 Ų123102.5 Ų102.558%0.57559%0.587SS**EExtended strand (participates in β ladder)trans-67.6112.9177.9-162.2176.217500110.2R456 V484R456-E486 VanDerWaalsContact CD-OE2 3.27Å; R456-E486 WeakPolarHBondContact CD-OE2 3.48Å; V484-E486 PolarHBondContact O-N 2.8Å
487G56.2Low68.9Low65 Ų6598.3 Ų98.367%0.6759%0.585SS**THydrogen-bonded Turntrans102.716.9177.400000117.3K485K485-G487 PolarHBondContact O-N 2.74Å
488A47Very low69.1Low76 Ų7697.7 Ų97.763%0.62857%0.572SS**SBendtrans-80.5-18.9-177.300000116.2K485K485-A488 HydrophobicContact CB-CB 4.29Å
489E51.8Low69.4Low167 Ų16796.3 Ų96.378%0.7856%0.564SS**SBendtrans-120.33.8-164-153.1173.1-117.400115.1L491E489-L491 VanDerWaalsContact C-N 3.32Å; E489-L491 PolarHBondContact O-N 2.77Å
490E55.9Low69.8Low147 Ų14798.7 Ų98.769%0.68757%0.57SS**  trans-8182.8168.4-164.3178.8-163.500109.9A492 K499E490-A492 PolarHBondContact O-N 2.9Å; E490-K499 WeakPolarHBondContact OE1-CE 3.31Å; E490-K499 IonicContact OE1-NZ 2.71Å; E490-K499 PolarHBondContact OE1-NZ 2.77Å
491L59.4Low69.9Low153 Ų153101.6 Ų101.680%0.80158%0.583SS**  trans-52.8130.3172.8-68176.6000109.9E489 A493E489-L491 VanDerWaalsContact C-N 3.32Å; E489-L491 PolarHBondContact O-N 2.77Å; L491-A493 VanDerWaalsContact C-N 3.32Å; L491-A493 PolarHBondContact O-N 3.44Å
492A55.6Low70.5Confident89 Ų89101.7 Ų101.774%0.73658%0.584SS**  trans-6988.8-176.800000110.4E490 T494E490-A492 PolarHBondContact O-N 2.9Å; A492-T494 PolarHBondContact O-N 3.18Å; A492-T494 VanDerWaalsContact O-N 3.09Å
493A57.1Low71.1Confident39 Ų39103.9 Ų103.932%0.32259%0.593SS.*  trans-44.5115.4-178.600000111.5L491 K495 E498 K499L491-A493 VanDerWaalsContact C-N 3.32Å; L491-A493 PolarHBondContact O-N 3.44Å; A493-K495 VanDerWaalsContact C-N 3.33Å; A493-E498 WeakPolarHBondContact CA-OE2 3.47Å; A493-E498 HydrophobicContact CB-CB 4.16Å; A493-E498 HydrophobicContact CB-CG 4.45Å; A493-K499 HydrophobicContact CB-CD 4.22Å; A493-K499 HydrophobicContact CB-CG 3.55Å
494T62.7Low71.9Confident116 Ų116107 Ų10771%0.71260%0.599SS**SBendtrans-83-17.3-172.562.80000112A492 E498A492-T494 PolarHBondContact O-N 3.18Å; A492-T494 VanDerWaalsContact O-N 3.09Å; T494-E498 PolarHBondContact N-OE2 3.06Å; T494-E498 PolarHBondContact OG1-OE2 3.06Å
495K81.2Confident72.9Confident146 Ų146109.4 Ų109.464%0.63561%0.606SS**SBendtrans-126.2139.5-179.8-61.2168.1-172171.70110.3A493 G497 E498A493-K495 VanDerWaalsContact C-N 3.33Å; K495-G497 PolarHBondContact O-N 2.83Å; K495-E498 HydrophobicContact CB-CB 4.38Å; K495-E498 PolarHBondContact N-OE2 3.05Å; K495-E498 VanDerWaalsContact N-OE2 3.17Å; K495-E498 VanDerWaalsContact O-CB 3.3Å; K495-E498 WeakPolarHBondContact O-CB 3.3Å; K495-E498 PolarHBondContact O-N 3.49Å
496P72.1Confident74.1Confident135 Ų135112.3 Ų112.388%0.87761%0.614SS**THydrogen-bonded Turntrans-58.3138.2169.226.7-33.6000109.8E498P496-E498 PolarHBondContact O-N 2.85Å
497G79Confident75.9Confident44 Ų44111.3 Ų111.345%0.45461%0.612SS.*THydrogen-bonded Turntrans87.8-17.1-177.200000116.1K495 K499 L500 L501K495-G497 PolarHBondContact O-N 2.83Å; G497-K499 VanDerWaalsContact C-N 3.28Å; G497-K499 PolarHBondContact O-N 2.99Å; G497-L500 WeakPolarHBondContact O-CA 3.36Å; G497-L500 WeakPolarHBondContact O-CB 3.48Å; G497-L500 PolarHBondContact O-N 2.84Å; G497-L501 PolarHBondContact O-N 3.49Å; G497-L501 VanDerWaalsContact O-N 3.09Å
498E86.3Confident77.8Confident74 Ų74114.5 Ų114.535%0.34661%0.609SS.*Hα-helixtrans-58.8-37.1-179-177.1171.7-154.900112.8A493 T494 K495 P496 L500 T502A493-E498 WeakPolarHBondContact CA-OE2 3.47Å; A493-E498 HydrophobicContact CB-CB 4.16Å; A493-E498 HydrophobicContact CB-CG 4.45Å; T494-E498 PolarHBondContact N-OE2 3.06Å; T494-E498 PolarHBondContact OG1-OE2 3.06Å; K495-E498 HydrophobicContact CB-CB 4.38Å; K495-E498 PolarHBondContact N-OE2 3.05Å; K495-E498 VanDerWaalsContact N-OE2 3.17Å; K495-E498 VanDerWaalsContact O-CB 3.3Å; K495-E498 WeakPolarHBondContact O-CB 3.3Å; K495-E498 PolarHBondContact O-N 3.49Å; P496-E498 PolarHBondContact O-N 2.85Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 2.79Å; E498-T502 PolarHBondContact O-N 3.05Å; E498-T502 VanDerWaalsContact O-N 3.12Å; E498-T502 PolarHBondContact O-OG1 3.4Å
499K87.1Confident80.1Confident102 Ų102115.7 Ų115.744%0.44361%0.605SS.*Hα-helixtrans-66.2-31.4172.5-61.9-165.7178.2-175.70113.6E490 A493 G497 T502 L503E490-K499 WeakPolarHBondContact OE1-CE 3.31Å; E490-K499 IonicContact OE1-NZ 2.71Å; E490-K499 PolarHBondContact OE1-NZ 2.77Å; A493-K499 HydrophobicContact CB-CD 4.22Å; A493-K499 HydrophobicContact CB-CG 3.55Å; G497-K499 VanDerWaalsContact C-N 3.28Å; G497-K499 PolarHBondContact O-N 2.99Å; K499-T502 WeakPolarHBondContact CA-OG1 3.42Å; K499-T502 PolarHBondContact O-OG1 3Å; K499-L503 WeakPolarHBondContact O-CB 3.38Å; K499-L503 PolarHBondContact O-N 2.94Å
500L87.3Confident82.2Confident123 Ų123110 Ų11064%0.64459%0.586SS**Hα-helixtrans-76.9-38.6-179.4-176.261.7000111.1G497 E498 K504G497-L500 WeakPolarHBondContact O-CA 3.36Å; G497-L500 WeakPolarHBondContact O-CB 3.48Å; G497-L500 PolarHBondContact O-N 2.84Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 2.79Å; L500-K504 WeakPolarHBondContact O-CB 3.39Å; L500-K504 PolarHBondContact O-N 3Å
501L88.9Confident84Confident127 Ų127107.3 Ų107.367%0.66557%0.574SS**Hα-helixtrans-66.1-46.1174.8-64.7176.5000111.7G497 K504 Q505G497-L501 PolarHBondContact O-N 3.49Å; G497-L501 VanDerWaalsContact O-N 3.09Å; L501-K504 PolarHBondContact O-N 3.04Å; L501-Q505 WeakPolarHBondContact O-CB 3.45Å; L501-Q505 PolarHBondContact O-N 3.04Å
502T90.7Very high85.7Confident77 Ų77102.2 Ų102.247%0.47256%0.555SS.*Hα-helixtrans-66.2-36.9176.147.50000112.4E498 K499 R506E498-T502 PolarHBondContact O-N 3.05Å; E498-T502 VanDerWaalsContact O-N 3.12Å; E498-T502 PolarHBondContact O-OG1 3.4Å; K499-T502 WeakPolarHBondContact CA-OG1 3.42Å; K499-T502 PolarHBondContact O-OG1 3Å; T502-R506 VanDerWaalsContact O-CB 3.29Å; T502-R506 WeakPolarHBondContact O-CB 3.37Å; T502-R506 PolarHBondContact O-N 3.35Å
503L92.7Very high87.6Confident106 Ų106103.6 Ų103.656%0.55555%0.546SS*.Hα-helixtrans-64.2-45171.3-179.462.4000112.1K499 R506 L507K499-L503 WeakPolarHBondContact O-CB 3.38Å; K499-L503 PolarHBondContact O-N 2.94Å; L503-R506 PolarHBondContact O-N 2.93Å; L503-L507 VanDerWaalsContact O-CB 3.32Å; L503-L507 WeakPolarHBondContact O-CB 3.43Å; L503-L507 PolarHBondContact O-N 3.5Å
504K95.1Very high89.4Confident144 Ų144108.8 Ų108.863%0.62656%0.557SS**Hα-helixtrans-60.3-46.1176.6-176.1178.3178.7-179.60111.1L500 L501 L507 Q508L500-K504 WeakPolarHBondContact O-CB 3.39Å; L500-K504 PolarHBondContact O-N 3Å; L501-K504 PolarHBondContact O-N 3.04Å; K504-L507 PolarHBondContact O-N 3.02Å; K504-Q508 WeakPolarHBondContact O-CB 3.22Å; K504-Q508 PolarHBondContact O-N 3.2Å
505Q95.3Very high91.1Very high121 Ų121109.9 Ų109.957%0.56555%0.548SS*.Hα-helixtrans-62.4-46.1176.8-171.6-178.719.200111.8L501 L507 Q508 L509L501-Q505 WeakPolarHBondContact O-CB 3.45Å; L501-Q505 PolarHBondContact O-N 3.04Å; Q505-L507 PolarHBondContact O-N 2.7Å; Q505-Q508 PolarHBondContact O-N 3.44Å; Q505-L509 HydrophobicContact CG-CD1 4.28Å; Q505-L509 WeakPolarHBondContact O-CB 3.11Å; Q505-L509 WeakPolarHBondContact O-CG 3.23Å; Q505-L509 PolarHBondContact O-N 3.03Å
506R96Very high91.6Very high185 Ų185108.6 Ų108.670%0.69855%0.546SS*.Hα-helixtrans-62.7-40.5177.4-177.3174.6178.6148.72.5112.2T502 L503 A510T502-R506 VanDerWaalsContact O-CB 3.29Å; T502-R506 WeakPolarHBondContact O-CB 3.37Å; T502-R506 PolarHBondContact O-N 3.35Å; L503-R506 PolarHBondContact O-N 2.93Å; R506-A510 WeakPolarHBondContact O-CB 3.41Å; R506-A510 PolarHBondContact O-N 2.87Å
507L95.6Very high92.6Very high102 Ų102108.1 Ų108.153%0.53453%0.532SS..Hα-helixtrans-66.2-44.6175.8179.761000111.3L503 K504 Q505 L509 A510 M511L503-L507 VanDerWaalsContact O-CB 3.32Å; L503-L507 WeakPolarHBondContact O-CB 3.43Å; L503-L507 PolarHBondContact O-N 3.5Å; K504-L507 PolarHBondContact O-N 3.02Å; Q505-L507 PolarHBondContact O-N 2.7Å; L507-L509 VanDerWaalsContact C-N 3.34Å; L507-L509 PolarHBondContact O-N 2.74Å; L507-A510 PolarHBondContact O-N 3.33Å; L507-M511 HydrophobicContact CD1-CG 4.22Å; L507-M511 HydrophobicContact CD1-SD 4.32Å; L507-M511 HydrophobicContact CG-SD 4.22Å; L507-M511 WeakPolarHBondContact O-CB 3.48Å; L507-M511 VanDerWaalsContact O-CG 3.32Å; L507-M511 WeakPolarHBondContact O-CG 3.3Å; L507-M511 PolarHBondContact O-N 2.9Å
508Q96.7Very high93.3Very high132 Ų132111 Ų11162%0.61753%0.533SS*.Hα-helixtrans-61-42.3177.1-173.8173.9100111.8K504 Q505 M511 A512K504-Q508 WeakPolarHBondContact O-CB 3.22Å; K504-Q508 PolarHBondContact O-N 3.2Å; Q505-Q508 PolarHBondContact O-N 3.44Å; Q508-M511 PolarHBondContact O-N 2.84Å; Q508-A512 WeakPolarHBondContact O-CB 3.26Å; Q508-A512 PolarHBondContact O-N 3.41Å
509L96.4Very high93.7Very high101 Ų101115.2 Ų115.253%0.52955%0.546SS..Hα-helixtrans-64.8-44.6173.9-71.4171.4000112.2Q505 L507 M511 A512 Q513Q505-L509 HydrophobicContact CG-CD1 4.28Å; Q505-L509 WeakPolarHBondContact O-CB 3.11Å; Q505-L509 WeakPolarHBondContact O-CG 3.23Å; Q505-L509 PolarHBondContact O-N 3.03Å; L507-L509 VanDerWaalsContact C-N 3.34Å; L507-L509 PolarHBondContact O-N 2.74Å; L509-M511 VanDerWaalsContact C-N 3.33Å; L509-M511 PolarHBondContact O-N 2.89Å; L509-A512 WeakPolarHBondContact O-CB 3.33Å; L509-A512 PolarHBondContact O-N 2.79Å; L509-A512 VanDerWaalsContact O-N 3.15Å; L509-Q513 WeakPolarHBondContact O-CB 3.39Å; L509-Q513 WeakPolarHBondContact O-CG 3.23Å; L509-Q513 PolarHBondContact O-N 3.23Å
510A95.8Very high94Very high46 Ų46113.1 Ų113.138%0.3855%0.548SS..Hα-helixtrans-63.7-37176.800000112.6R506 L507 R514R506-A510 WeakPolarHBondContact O-CB 3.41Å; R506-A510 PolarHBondContact O-N 2.87Å; L507-A510 PolarHBondContact O-N 3.33Å; A510-R514 WeakPolarHBondContact O-CB 3.33Å; A510-R514 PolarHBondContact O-N 2.81Å
511M93.2Very high94.2Very high91 Ų91116.3 Ų116.345%0.44855%0.551SS.*Hα-helixtrans-70.9-32173-69-178.479.600112.5L507 Q508 L509 R515L507-M511 HydrophobicContact CD1-CG 4.22Å; L507-M511 HydrophobicContact CD1-SD 4.32Å; L507-M511 HydrophobicContact CG-SD 4.22Å; L507-M511 WeakPolarHBondContact O-CB 3.48Å; L507-M511 VanDerWaalsContact O-CG 3.32Å; L507-M511 WeakPolarHBondContact O-CG 3.3Å; L507-M511 PolarHBondContact O-N 2.9Å; Q508-M511 PolarHBondContact O-N 2.84Å; L509-M511 VanDerWaalsContact C-N 3.33Å; L509-M511 PolarHBondContact O-N 2.89Å; M511-R515 WeakPolarHBondContact O-CB 3.29Å; M511-R515 VanDerWaalsContact O-CG 3.31Å; M511-R515 WeakPolarHBondContact O-CG 3.27Å; M511-R515 PolarHBondContact O-N 3.46Å; M511-R515 VanDerWaalsContact O-N 3.12Å
512A95.5Very high94.3Very high47 Ų47117.9 Ų117.939%0.38855%0.553SS.*Hα-helixtrans-69.8-43.5173.300000111.5Q508 L509 R515 M516Q508-A512 WeakPolarHBondContact O-CB 3.26Å; Q508-A512 PolarHBondContact O-N 3.41Å; L509-A512 WeakPolarHBondContact O-CB 3.33Å; L509-A512 PolarHBondContact O-N 2.79Å; L509-A512 VanDerWaalsContact O-N 3.15Å; A512-R515 PolarHBondContact O-N 3.13Å; A512-M516 WeakPolarHBondContact O-CB 3.49Å; A512-M516 PolarHBondContact O-N 3.07Å
513Q95.3Very high94.1Very high117 Ų117117 Ų11755%0.54755%0.553SS.*Hα-helixtrans-59.7-51.3173.2-73.9173.8-40.400111.1L509 R515 M516 E517L509-Q513 WeakPolarHBondContact O-CB 3.39Å; L509-Q513 WeakPolarHBondContact O-CG 3.23Å; L509-Q513 PolarHBondContact O-N 3.23Å; Q513-R515 VanDerWaalsContact C-N 3.31Å; Q513-R515 PolarHBondContact O-N 2.87Å; Q513-M516 CarbonylContact O-C 3.56Å; Q513-M516 WeakPolarHBondContact O-CA 3.37Å; Q513-M516 WeakPolarHBondContact O-CB 3.38Å; Q513-M516 PolarHBondContact O-N 3.14Å; Q513-E517 WeakPolarHBondContact O-CG 3.46Å; Q513-E517 PolarHBondContact O-N 3.31Å
514R95.6Very high93.7Very high148 Ų148117.8 Ų117.856%0.55855%0.554SS**Hα-helixtrans-57.2-40.3176.6-170-174.9175.1-70.7-2.1112.7A510 E518A510-R514 WeakPolarHBondContact O-CB 3.33Å; A510-R514 PolarHBondContact O-N 2.81Å; R514-E518 IonicContact CZ-OE2 3.29Å; R514-E518 IonicContact NH1-OE1 3.04Å; R514-E518 IonicContact NH1-OE2 3.47Å; R514-E518 PolarHBondContact NH1-OE2 3.34Å; R514-E518 IonicContact NH2-OE1 3.4Å; R514-E518 WeakPolarHBondContact O-CB 3.49Å; R514-E518 PolarHBondContact O-N 2.61Å
515R96.6Very high92.8Very high139 Ų139116 Ų11653%0.52555%0.551SS.*Hα-helixtrans-68.5-31.8174.6-75-177.4-171.1107.2-12.2113.3M511 A512 Q513 R519M511-R515 WeakPolarHBondContact O-CB 3.29Å; M511-R515 VanDerWaalsContact O-CG 3.31Å; M511-R515 WeakPolarHBondContact O-CG 3.27Å; M511-R515 PolarHBondContact O-N 3.46Å; M511-R515 VanDerWaalsContact O-N 3.12Å; A512-R515 PolarHBondContact O-N 3.13Å; Q513-R515 VanDerWaalsContact C-N 3.31Å; Q513-R515 PolarHBondContact O-N 2.87Å; R515-R519 WeakPolarHBondContact O-CB 3.42Å; R515-R519 WeakPolarHBondContact O-CG 3.27Å; R515-R519 PolarHBondContact O-N 3.15Å; R515-R519 VanDerWaalsContact O-N 3.11Å; R515-R519 PolarHBondContact O-NE 3.15Å
516M92.3Very high91.9Very high119 Ų119115.7 Ų115.759%0.58655%0.549SS*.Hα-helixtrans-71.8-45.9175.2-176.6-177.5-73.400110.6A512 Q513 E518 R519 A520A512-M516 WeakPolarHBondContact O-CB 3.49Å; A512-M516 PolarHBondContact O-N 3.07Å; Q513-M516 CarbonylContact O-C 3.56Å; Q513-M516 WeakPolarHBondContact O-CA 3.37Å; Q513-M516 WeakPolarHBondContact O-CB 3.38Å; Q513-M516 PolarHBondContact O-N 3.14Å; M516-E518 PolarHBondContact O-N 2.71Å; M516-R519 PolarHBondContact O-N 2.71Å; M516-A520 VanDerWaalsContact O-CB 3.24Å; M516-A520 WeakPolarHBondContact O-CB 3.45Å; M516-A520 PolarHBondContact O-N 2.57Å
517E94.1Very high91.1Very high126 Ų126114.8 Ų114.859%0.58955%0.546SS*.Hα-helixtrans-60.5-41.3173.4-69163.1-167.800111.8Q513 A520 R521Q513-E517 WeakPolarHBondContact O-CG 3.46Å; Q513-E517 PolarHBondContact O-N 3.31Å; E517-A520 PolarHBondContact O-N 2.97Å; E517-R521 WeakPolarHBondContact O-CB 3.35Å; E517-R521 PolarHBondContact O-N 2.86Å
518E92.8Very high89.9Confident104 Ų104115 Ų11549%0.48655%0.547SS..Hα-helixtrans-68.7-39.2178.6-172.6159.3-14200112.2R514 M516 K522R514-E518 IonicContact CZ-OE2 3.29Å; R514-E518 IonicContact NH1-OE1 3.04Å; R514-E518 IonicContact NH1-OE2 3.47Å; R514-E518 PolarHBondContact NH1-OE2 3.34Å; R514-E518 IonicContact NH2-OE1 3.4Å; R514-E518 WeakPolarHBondContact O-CB 3.49Å; R514-E518 PolarHBondContact O-N 2.61Å; M516-E518 PolarHBondContact O-N 2.71Å; E518-K522 PolarHBondContact O-N 2.92Å
519R94.3Very high88.8Confident163 Ų163113.2 Ų113.262%0.61554%0.542SS*.Hα-helixtrans-68.8-44.8171.1-75.9-176-63.9112.6-4.7112.5R515 M516 R521 K522 A523R515-R519 WeakPolarHBondContact O-CB 3.42Å; R515-R519 WeakPolarHBondContact O-CG 3.27Å; R515-R519 PolarHBondContact O-N 3.15Å; R515-R519 VanDerWaalsContact O-N 3.11Å; R515-R519 PolarHBondContact O-NE 3.15Å; M516-R519 PolarHBondContact O-N 2.71Å; R519-R521 VanDerWaalsContact C-N 3.3Å; R519-R521 PolarHBondContact O-N 2.94Å; R519-K522 PolarHBondContact O-N 3.35Å; R519-K522 VanDerWaalsContact O-N 3.13Å; R519-A523 PolarHBondContact O-N 2.81Å
520A93.3Very high87.1Confident58 Ų58113.3 Ų113.348%0.47954%0.543SS..Hα-helixtrans-59.7-42.4176.800000111M516 E517 A523 E524M516-A520 VanDerWaalsContact O-CB 3.24Å; M516-A520 WeakPolarHBondContact O-CB 3.45Å; M516-A520 PolarHBondContact O-N 2.57Å; E517-A520 PolarHBondContact O-N 2.97Å; A520-A523 PolarHBondContact O-N 3.47Å; A520-E524 VanDerWaalsContact O-CB 3.3Å; A520-E524 WeakPolarHBondContact O-CB 3.36Å; A520-E524 PolarHBondContact O-N 3.4Å
521R93.1Very high85.2Confident189 Ų189116.6 Ų116.671%0.71355%0.55SS*.Hα-helixtrans-67.7-33174.5-172.8-179.8178.2-158.5-1.9113.2E517 R519 L525E517-R521 WeakPolarHBondContact O-CB 3.35Å; E517-R521 PolarHBondContact O-N 2.86Å; R519-R521 VanDerWaalsContact C-N 3.3Å; R519-R521 PolarHBondContact O-N 2.94Å; R521-L525 VanDerWaalsContact O-CB 3.25Å; R521-L525 WeakPolarHBondContact O-CB 3.29Å; R521-L525 PolarHBondContact O-N 3.48Å
522K90.1Very high83.1Confident161 Ų161119.3 Ų119.370%0.757%0.566SS**Hα-helixtrans-66.6-41.6171.8-168.8-171.2176.2-165.20110.6E518 R519 L525 H526E518-K522 PolarHBondContact O-N 2.92Å; R519-K522 PolarHBondContact O-N 3.35Å; R519-K522 VanDerWaalsContact O-N 3.13Å; K522-L525 PolarHBondContact O-N 3.17Å; K522-H526 WeakPolarHBondContact O-CB 3.38Å; K522-H526 PolarHBondContact O-N 2.87Å
523A86.4Confident80.5Confident58 Ų58122.5 Ų122.548%0.47958%0.584SS.*Hα-helixtrans-68.6-42.1176.500000112.5R519 A520 L525 H526 R527R519-A523 PolarHBondContact O-N 2.81Å; A520-A523 PolarHBondContact O-N 3.47Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 3.26Å; A523-H526 WeakPolarHBondContact O-CB 3.3Å; A523-H526 PolarHBondContact O-N 2.99Å; A523-R527 PolarHBondContact O-N 2.9Å
524E84.5Confident78Confident122 Ų122118.4 Ų118.457%0.5757%0.574SS**Hα-helixtrans-59.8-43.9172.5-178.2-176.2-149.100111.1A520 H526 R527 L528A520-E524 VanDerWaalsContact O-CB 3.3Å; A520-E524 WeakPolarHBondContact O-CB 3.36Å; A520-E524 PolarHBondContact O-N 3.4Å; E524-H526 VanDerWaalsContact C-N 3.34Å; E524-R527 PolarHBondContact O-N 3.22Å; E524-L528 HydrophobicContact CG-CD1 4.34Å; E524-L528 VanDerWaalsContact O-CG 3.31Å; E524-L528 WeakPolarHBondContact O-CG 3.32Å; E524-L528 PolarHBondContact O-N 3.12Å
525L76.3Confident75.5Confident107 Ų107119.5 Ų119.556%0.5659%0.591SS**Hα-helixtrans-65.8-35.8174-176.463.9000112.3R521 K522 A523 L528 D529R521-L525 VanDerWaalsContact O-CB 3.25Å; R521-L525 WeakPolarHBondContact O-CB 3.29Å; R521-L525 PolarHBondContact O-N 3.48Å; K522-L525 PolarHBondContact O-N 3.17Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 3.26Å; L525-L528 PolarHBondContact O-N 3.25Å; L525-D529 PolarHBondContact O-N 3.27Å
526H75.6Confident72.9Confident114 Ų114122.4 Ų122.453%0.52861%0.61SS.*Hα-helixtrans-70-37.2176.8-169.6-47000112K522 A523 E524 D529 N530K522-H526 WeakPolarHBondContact O-CB 3.38Å; K522-H526 PolarHBondContact O-N 2.87Å; A523-H526 WeakPolarHBondContact O-CB 3.3Å; A523-H526 PolarHBondContact O-N 2.99Å; E524-H526 VanDerWaalsContact C-N 3.34Å; H526-D529 PolarHBondContact O-N 3.49Å; H526-N530 PolarHBondContact CE1-OD1 3.32Å; H526-N530 PolarHBondContact ND1-OD1 2.83Å; H526-N530 PolarHBondContact O-N 2.71Å; H526-N530 VanDerWaalsContact O-N 3.15Å; H526-N530 PolarHBondContact O-OD1 3.09Å
527R79.9Confident70.5Confident167 Ų167124.7 Ų124.763%0.6362%0.62SS**Hα-helixtrans-61-46.6169.8-73.7-166.964.2114.910.9110.9A523 E524 D529 N530 E531A523-R527 PolarHBondContact O-N 2.9Å; E524-R527 PolarHBondContact O-N 3.22Å; R527-D529 VanDerWaalsContact C-N 3.35Å; R527-D529 PolarHBondContact O-N 3.45Å; R527-N530 PolarHBondContact O-N 3.49Å; R527-N530 VanDerWaalsContact O-N 3.09Å; R527-E531 IonicContact CZ-OE1 3.35Å; R527-E531 IonicContact NE-OE1 3.92Å; R527-E531 PolarHBondContact NE-OE1 3.4Å; R527-E531 VanDerWaalsContact NE-OE1 3.08Å; R527-E531 IonicContact NH2-OE1 2.78Å; R527-E531 PolarHBondContact NH2-OE1 2.81Å; R527-E531 WeakPolarHBondContact O-CB 3.13Å; R527-E531 VanDerWaalsContact O-CG 3.23Å; R527-E531 WeakPolarHBondContact O-CG 3.34Å; R527-E531 PolarHBondContact O-N 3.49Å
528L71.3Confident67.9Low105 Ų105126.8 Ų126.855%0.5563%0.629SS.*Hα-helixtrans-70.1-20.7178.5-67.6168.4000115.1E524 L525E524-L528 HydrophobicContact CG-CD1 4.34Å; E524-L528 VanDerWaalsContact O-CG 3.31Å; E524-L528 WeakPolarHBondContact O-CG 3.32Å; E524-L528 PolarHBondContact O-N 3.12Å; L525-L528 PolarHBondContact O-N 3.25Å
529D71.9Confident65.3Low96 Ų96131.3 Ų131.351%0.51365%0.65SS.*Hα-helixtrans-82.3-20.9170.7-129.447.3000110.7R229 L525 H526 R527R229-D529 IonicContact NH2-OD2 3.16Å; R229-D529 PolarHBondContact NH2-OD2 2.89Å; L525-D529 PolarHBondContact O-N 3.27Å; H526-D529 PolarHBondContact O-N 3.49Å; R527-D529 VanDerWaalsContact C-N 3.35Å; R527-D529 PolarHBondContact O-N 3.45Å
530N61.9Low62.7Low103 Ų103132.6 Ų132.655%0.55166%0.663SS**Hα-helixtrans-89.6-32.6175.3-74.133.9000112.9H526 R527 D532H526-N530 PolarHBondContact CE1-OD1 3.32Å; H526-N530 PolarHBondContact ND1-OD1 2.83Å; H526-N530 PolarHBondContact O-N 2.71Å; H526-N530 VanDerWaalsContact O-N 3.15Å; H526-N530 PolarHBondContact O-OD1 3.09Å; R527-N530 PolarHBondContact O-N 3.49Å; R527-N530 VanDerWaalsContact O-N 3.09Å; N530-D532 PolarHBondContact O-N 2.96Å
531E55.8Low60Low114 Ų114138.6 Ų138.653%0.53368%0.681SS.*THydrogen-bonded Turntrans-77.911.6-176.7-71.5164.5-168.500113.8R527R527-E531 IonicContact CZ-OE1 3.35Å; R527-E531 IonicContact NE-OE1 3.92Å; R527-E531 PolarHBondContact NE-OE1 3.4Å; R527-E531 VanDerWaalsContact NE-OE1 3.08Å; R527-E531 IonicContact NH2-OE1 2.78Å; R527-E531 PolarHBondContact NH2-OE1 2.81Å; R527-E531 WeakPolarHBondContact O-CB 3.13Å; R527-E531 VanDerWaalsContact O-CG 3.23Å; R527-E531 WeakPolarHBondContact O-CG 3.34Å; R527-E531 PolarHBondContact O-N 3.49Å
532D47.9Very low57Low148 Ų148138.7 Ų138.779%0.79169%0.69SS**THydrogen-bonded Turntrans-116.19.5178.7-153.535.1000112.6N530N530-D532 PolarHBondContact O-N 2.96Å
533C41.9Very low54.4Low114 Ų114138.4 Ų138.477%0.7770%0.696SS**SBendtrans-140.943.4-176.1-71.20000113.1
534G42.4Very low51.6Low31 Ų31143.6 Ų143.632%0.3271%0.713SS.*  trans-136.4-3.7-17500000117.6E536 E537G534-E536 PolarHBondContact O-N 3.38Å; G534-E537 PolarHBondContact O-N 2.91Å
535D43.1Very low49.1Very low172 Ų172144.4 Ų144.492%0.9273%0.726SS**THydrogen-bonded Turntrans-67.87.5-168-127.126000115.4
536E42.4Very low47.1Very low199 Ų199148.6 Ų148.693%0.9374%0.743SS**THydrogen-bonded Turntrans-133.91.9176.2-65.8-167.8169.100114.7G534G534-E536 PolarHBondContact O-N 3.38Å
537E41.3Very low44.9Very low168 Ų168152 Ų15279%0.78576%0.759SS**THydrogen-bonded Turntrans-121.6-5.7-176.3-69.6-177.3168.600115.5G534 E539G534-E537 PolarHBondContact O-N 2.91Å; E537-E539 VanDerWaalsContact C-N 3.28Å; E537-E539 PolarHBondContact O-N 3.36Å; E537-E539 VanDerWaalsContact O-N 3.16Å
538E39.1Very low42.7Very low170 Ų170148.7 Ų148.779%0.79476%0.761SS**THydrogen-bonded Turntrans-73.12.6-176.9-70.2-168.3152.700116.2
539E38Very low40.9Very low198 Ų198152.5 Ų152.593%0.92578%0.776SS**THydrogen-bonded Turntrans-92-6-176-75.6-159.3161.400116.3E537E537-E539 VanDerWaalsContact C-N 3.28Å; E537-E539 PolarHBondContact O-N 3.36Å; E537-E539 VanDerWaalsContact O-N 3.16Å
540E40Very low39.3Very low190 Ų190156.8 Ų156.889%0.88879%0.793SS**SBendtrans-114.5-8.8-174.3-62-158.9151.500117.1
541E36.3Very low38Very low184 Ų184161 Ų16186%0.8681%0.809SS**SBendtrans-104.619.6-173.6-78.5-77.4161.200115.4
542E31.4Very low36.7Very low191 Ų191162.7 Ų162.789%0.89382%0.822SS**SBendtrans-96.5-0.8-175.9-82.6-154.4147.200117
543D34.1Very low35.8Very low155 Ų155161.7 Ų161.783%0.82982%0.822SS**SBendtrans-115.514.1-164.9-151.129.5000116.8
544M28.4Very low35.5Very low168 Ų168164.1 Ų164.183%0.82883%0.827SS**SBendtrans-136.9135.7178.9-69.4-69.7-79.400113.9
545T32.8Very low35.1Very low138 Ų138169.5 Ų169.585%0.84785%0.848SS**  trans79.451167.873.50000121.5
546E33.3Very low34.8Very low196 Ų196169 Ų16992%0.91685%0.845SS**  trans-106.698.6146.2-83-158153.700112
547E30.1Very low34.4Very low185 Ų185168.2 Ų168.286%0.86485%0.846SS**  trans-170.2129.7150.6-106.2-177.4158.400108
548S33.8Very low34Very low98 Ų98163.9 Ų163.969%0.68585%0.846SS**  71.9137.1100.4-119.90000114.2
549E32.7Very low33.5Very low185 Ų185159.7 Ų159.786%0.86485%0.849SS**  cis-144169.218.4-68.1-176.8147.700112.9
550E37.8Very low33.1Very low186 Ų186158.2 Ų158.287%0.86985%0.847SS**  trans-97139.2162-57.7177.9146.300109.4
551E34.6Very low32.8Very low190 Ų190152.7 Ų152.789%0.88884%0.841SS**  trans163.1148.4138.7-92.2178176.200113.6
552D28.8Very low32.3Very low150 Ų150147.9 Ų147.980%0.80284%0.841SS**  trans37.4134.1152.1-107-3.3000121.2
553V30.4Very low32.6Very low128 Ų128148 Ų14878%0.77684%0.842SS**  cis-155.3144.246.7-77.20000114.9
554D35.3Very low32.2Very low164 Ų164150.4 Ų150.488%0.87785%0.848SS**  trans-8994159.3-92.7-61.2000110.4
555D33.2Very low32.7Very low144 Ų144150.8 Ų150.877%0.7785%0.847SS**  trans-175.2101.4149.9-119.6-15.5000113.6
556L36.2Very low32.7Very low163 Ų163152.4 Ų152.485%0.85385%0.845SS**  -171.694.1118.6-128.876000112.6
557L36Very low32.6Very low182 Ų182148.7 Ų148.795%0.95383%0.832SS**  trans-89.1112.1163.1-81.6170.9000110.7
558G31.1Very low32.7Very low76 Ų76147 Ų14778%0.78482%0.822SS**  trans117.8135.9154.400000116.9
559G30.1Very low32.5Very low83 Ų83151 Ų15186%0.85683%0.829SS**  trans-176.171178.600000111.4
560D29.6Very low32.3Very low167 Ų167151.4 Ų151.489%0.89383%0.831SS**  trans-77.1125.5-178.9176.434.9000112.4
561G32.6Very low31.9Very low74 Ų74151.9 Ų151.976%0.76383%0.834SS**  trans70.2114.9152.500000119.1
562G26.6Very low31.5Very low82 Ų82151.1 Ų151.185%0.84583%0.83SS**  trans-172.6103.3166.600000113.9
563E36.3Very low31.3Very low195 Ų195148.9 Ų148.991%0.91183%0.826SS**  trans-84.6141.1167.1-62.3170.1168.900109.7
564E26.2Very low31.1Very low204 Ų204146.9 Ų146.995%0.95382%0.823SS**  trans-114.1104.4160.7-72.9-160164.300110.1
565E38.2Very low30.7Very low176 Ų176143.3 Ų143.382%0.82282%0.816SS**  trans-94.2164.5159-106-80.4-160.200109.3
566E34Very low30.6Very low173 Ų173145.3 Ų145.381%0.80882%0.821SS**  trans-68151.1-163.9-63.6-166.9130.400115.9
567D31.4Very low30.1Very low117 Ų117142.3 Ų142.363%0.62681%0.814SS**  trans99.1117.4134.4-130.519.4000121.8
568K32.3Very low29.9Very low151 Ų151140 Ų14066%0.65780%0.801SS**  trans68.2111.7145.9-73.9168.6-175.273.30123.5
569E28.8Very low29.8Very low180 Ų180146.7 Ų146.784%0.84180%0.802SS**  62.7145120.4-64.7-170.4150.700124
570E29.2Very low29.6Very low195 Ų195147 Ų14791%0.91179%0.791SS**  trans80.2152.7165.4-63.3-157.8147.400120.8
571E29.1Very low29.8Very low196 Ų196146.9 Ų146.992%0.91679%0.79SS**  trans-96.8-169.2-168.1-55.7-174.511600113.5
572E26.2Very low29.6Very low174 Ų174148.4 Ų148.481%0.81379%0.789SS**  trans87.373.1150.7-151.3174.5-154.200120
573S25.3Very low30.6Very low102 Ų102150 Ų15071%0.71379%0.785SS**  91.4157.6119.186.10000123.3
574A25.8Very low30.3Very low87 Ų87145.7 Ų145.772%0.71978%0.782SS**  trans7066140.500000121.4
575A26.3Very low30.7Very low88 Ų88140 Ų14073%0.72777%0.77SS**  24.2135.9123.400000121.9
576Q30.8Very low30.5Very low186 Ų186140.1 Ų140.187%0.86977%0.77SS**  -171.9150.9122.3-109.716290.100115.9
577S27.2Very low30.5Very low101 Ų101137.5 Ų137.571%0.70677%0.767SS**  trans65.1120.4155.3-73.10000118.3
578I31.3Very low30.4Very low132 Ų132139.8 Ų139.868%0.67778%0.778SS**  cis-158.5-179.8-0.612.2164.1000107.6
579R27.7Very low30.2Very low217 Ų217138 Ų13882%0.81978%0.776SS**  cis-155.9179.828.3-145.8163.8-166.6134.87.4114.4
580S27.4Very low30.2Very low89 Ų89139.3 Ų139.362%0.62277%0.773SS**  trans-99.1163.4-177.154.80000114.4
581L33Very low30.1Very low165 Ų165139 Ų13986%0.86477%0.769SS**  cis-169.2-172.1-11.3-102.2169.7000105.9
582S28.7Very low29.8Very low106 Ų106136.5 Ų136.574%0.74176%0.757SS**  cis-160.6171.923680000111.8
583P47.6Very low29.9Very low117 Ų117134.5 Ų134.576%0.7675%0.749SS**  trans-126.1172.5-158.443.3-31.7000118.3
584A29Very low30.1Very low104 Ų104136.5 Ų136.586%0.8675%0.752SS**  142.8135.1128.900000117.2
585A34.5Very low30.3Very low85 Ų85135.6 Ų135.670%0.70275%0.751SS**  trans-80.8169.1-169.600000119
586Q34.9Very low31Very low177 Ų177137.6 Ų137.683%0.82775%0.754SS**  178.3125120.9-98.7163104.100117.7
587T33.3Very low31.6Very low119 Ų119135.5 Ų135.573%0.7375%0.749SS**  trans53.7146.7136.363.40000126.1
588L30.6Very low31.9Very low164 Ų164135.1 Ų135.186%0.85974%0.737SS**  trans97.8125.2145.1-84.4169.4000123.1
589D27.7Very low32Very low115 Ų115135.8 Ų135.862%0.61574%0.741SS**  trans57.5154138.5-160.424.6000122.1
590R28.5Very low32.8Very low207 Ų207134.9 Ų134.978%0.78174%0.743SS**  trans107.8130.4141.7-136.274.8171.5-163.1-7.4121.1
591F26.1Very low33.4Very low187 Ų187137 Ų13782%0.8276%0.755SS**  trans-62.7160.9161-64.7-106.2000114
592H24.9Very low33.2Very low145 Ų145132.8 Ų132.867%0.67175%0.752SS**  112.4113.3124.1-123.936.2000119.4
593M26.8Very low33Very low131 Ų131133.7 Ų133.765%0.64576%0.758SS**  trans74132.4142.4-70.2-176.268.900121.7
594D30.3Very low32.2Very low144 Ų144133.9 Ų133.977%0.7776%0.762SS**  trans52.5122.7141.4-52.38.8000120.1
595G30.2Very low32.2Very low69 Ų69135 Ų13571%0.71176%0.762SS**  trans155.356.1159.500000120.7
596T40.1Very low32Very low129 Ų129136.2 Ų136.279%0.79177%0.765SS**  24.2112.9128-550000119.8
597L43.5Very low32Very low143 Ų143139 Ų13975%0.74977%0.768SS**  trans80.4127.5160.2-55.9162000119.9
598M33.3Very low32Very low92 Ų92139.4 Ų139.445%0.45377%0.77SS.*  164.5143.2104.4-85.6-58.5-98.600116.1L348 L349L348-M598 HydrophobicContact CD1-CE 3.73Å; L348-M598 HydrophobicContact CD1-SD 3.89Å; L349-M598 HydrophobicContact CD1-CE 3.84Å; L349-M598 HydrophobicContact CD2-CE 3.64Å; L349-M598 HydrophobicContact CG-CE 4.31Å
599L33.5Very low31.9Very low147 Ų147135 Ų13577%0.7777%0.765SS**  trans70.5143.5147.3-70.9165.3000123.9
600F45.8Very low32Very low198 Ų198137.6 Ų137.687%0.86878%0.779SS**  trans-89.2172168.7-68.4-97000112.4
601P38.1Very low32.1Very low133 Ų133131.3 Ų131.386%0.86478%0.779SS**  -141.2136.6113.935.6-22000114.6
602G28.8Very low32.4Very low77 Ų77128.6 Ų128.679%0.79477%0.772SS**  trans-104.5-168.1-177.900000115.7
603S25.4Very low32.7Very low125 Ų125131.2 Ų131.287%0.87478%0.776SS**  trans-155.1151.3170.761.90000113.4
604S30.2Very low33Very low120 Ų120134.3 Ų134.384%0.83979%0.786SS**  trans-86.7155.1-171.3-38.40000115.8
605C29.1Very low32.9Very low128 Ų128133 Ų13387%0.86579%0.788SS**  trans-151166.7130.178.10000111
606S30.6Very low32.7Very low110 Ų110133 Ų13377%0.76979%0.787SS**  trans-144.8144.1-172.4-470000112.7
607R35.3Very low32.9Very low237 Ų237132 Ų13289%0.89478%0.783SS**  trans-155.1139165.2-91.7170.865.4-177.8-2109.1
608T32.4Very low32.1Very low126 Ų126131.9 Ų131.977%0.77378%0.783SS**  cis176.7142.1-32.923.20000108
609G29.9Very low31.9Very low72 Ų72133.8 Ų133.874%0.74280%0.8SS**  trans100.8110.9-179.700000110.8
610D28.3Very low31.6Very low169 Ų169132.3 Ų132.390%0.90480%0.802SS**  cis64.211139-16011.9000112.8
611G32.1Very low30.7Very low76 Ų76126 Ų12678%0.78479%0.793SS**  trans-176.648.2-159.500000113.8
612L30.8Very low30.3Very low130 Ų130129 Ų12968%0.68179%0.792SS**  trans-66.1141.3-176.5-172.469.3000113.5
613R32.6Very low30.5Very low200 Ų200129.9 Ų129.976%0.75578%0.782SS**  trans113.3112.4153-59.4177-146.2-61-7.3118.4
614K32.3Very low30.7Very low195 Ų195131.5 Ų131.585%0.84878%0.776SS**  trans59.5153.2132.1-73.8-167.2170.3-166.80121.5
615S29.1Very low30.7Very low118 Ų118134.1 Ų134.183%0.82578%0.775SS**  trans76.7131.3167.7-10.40000114.7
616G25.7Very low30.7Very low67 Ų67134.8 Ų134.869%0.69177%0.77SS**  trans-87.3-158.1149.200000109.7
617P43.2Very low30.6Very low108 Ų108133.9 Ų133.970%0.70176%0.763SS**  cis-132.1-171.912.844.5-29.2000114.9
618D27.7Very low30.5Very low141 Ų141128 Ų12875%0.75476%0.759SS**  trans68.1152.1149.6-54.5-30.5000123.9
619V28.9Very low30.9Very low132 Ų132130.1 Ų130.180%0.876%0.76SS**  trans72128.9159.7-145.50000121.7
620S27.2Very low31.1Very low117 Ų117133.8 Ų133.882%0.81876%0.762SS**  trans68.6149.6159.667.50000118.8
621G27.7Very low31.2Very low65 Ų65130.5 Ų130.567%0.6775%0.753SS**  cis153.8167.3-6.700000112.3
622K29.1Very low31.3Very low196 Ų196131.6 Ų131.685%0.85275%0.748SS**  trans70.9120.1-179-67.1-164.9172.1-159.10114.3
623T32.1Very low31.6Very low96 Ų96132.6 Ų132.659%0.58975%0.753SS**  78.2139.765.771.40000113.4
624E29.9Very low31.8Very low158 Ų158131.4 Ų131.474%0.73876%0.756SS**  trans60.8152.8-179.3-64.480-128.300115.1
625E31.2Very low32.5Very low176 Ų176130.1 Ų130.182%0.82276%0.758SS**  cis-155165.31.6-137.5167.2176.600112.3
626D28.8Very low33.1Very low142 Ų142129.9 Ų129.976%0.75975%0.753SS**  trans75.2147.5144.2-154.26.2000122.3
627S28.9Very low33.7Very low90 Ų90130.1 Ų130.163%0.62976%0.756SS**  trans66100.6146.6-83.90000121.5
628S32.9Very low33.2Very low115 Ų115130.4 Ų130.480%0.80476%0.761SS**  147.4156.586.460.50000115.1
629H40.7Very low33.5Very low170 Ų170132.3 Ų132.379%0.78777%0.767SS**  trans-69.8148.3-177-43.2-91.5000113.9
630N33.3Very low34.2Very low148 Ų148133.8 Ų133.879%0.79177%0.77SS**  170.4123.2112.2-89.3-65.4000109.1
631S32.2Very low34.4Very low101 Ų101135.1 Ų135.171%0.70677%0.773SS**  78.19965.6-162.40000114.4
632S33.8Very low34.6Very low99 Ų99136.8 Ų136.869%0.69278%0.775SS**  trans80.8129.5140.6-138.40000121.6
633L35.9Very low34.6Very low150 Ų150137.5 Ų137.579%0.78577%0.774SS**  trans61.5111.7149.6-67.1161.6000120.5
634E37Very low34.7Very low175 Ų175140.5 Ų140.582%0.81878%0.781SS**  -137.8139.4122.9-88-135.5150.200112.2
635L46.7Very low34.9Very low169 Ų169139 Ų13989%0.88579%0.785SS**  trans-117.4116.3160.1-86.6171.9000108
636P41.9Very low34.8Very low112 Ų112137.4 Ų137.473%0.72779%0.787SS**  trans-114.9127.6159.633.5-24.1000111.3
637G38.9Very low34.9Very low73 Ų73136.8 Ų136.875%0.75378%0.783SS**  trans-106.9148173.800000112.5
638S33.3Very low35.1Very low114 Ų114141 Ų14180%0.79779%0.793SS**  trans68.7121.4166.7-176.60000117.8
639M33.8Very low35.1Very low180 Ų180143 Ų14389%0.88779%0.79SS**  -177.2158.1112.6-92.5-71.3-99.300110.9
640L43.5Very low34.5Very low163 Ų163147.2 Ų147.285%0.85380%0.799SS**  trans-86.2143.6-179.5-71.6156.3000112.2
641T31.1Very low34.5Very low146 Ų146143.5 Ų143.590%0.89680%0.795SS**  trans-133159.3150.258.60000110.8
642S31Very low34.4Very low99 Ų99143.6 Ų143.669%0.69280%0.802SS**  trans-121.3157.4178.455.30000109.9
643Y29Very low34.3Very low212 Ų212144.5 Ų144.583%0.83180%0.804SS**  -167.8177.3122.3-121.5-97.2000112
644Q34.4Very low34.3Very low158 Ų158149.3 Ų149.374%0.73881%0.811SS**  trans-104.4152.3-164.7-54.9173.6-89.200113.8
645P35.6Very low33.9Very low127 Ų127144.2 Ų144.283%0.82581%0.806SS**  trans-75.1150.9166.532.2-34.9000112.5
646V28.9Very low33.7Very low143 Ų143141.2 Ų141.287%0.86780%0.797SS**  trans-95.3151.5178.6173.30000111.4
647N31.1Very low33.1Very low128 Ų128144.3 Ų144.368%0.68480%0.801SS**  trans-126.3134.4-168.9169.52.7000111.8
648Q31.7Very low32.6Very low180 Ų180145.3 Ų145.384%0.84180%0.802SS**  trans-158.2157.5163.6-98.2178.392.800111.2
649Q32.8Very low32.5Very low157 Ų157143.6 Ų143.673%0.73480%0.795SS**  -171.9131.5-55.8-118.4-168.921.800111.2
650R29.2Very low32.4Very low258 Ų258138.7 Ų138.797%0.97478%0.783SS**  trans155.4145.3151.5-89.8163.6-169.1-143.35.8110.2
651G33.8Very low32Very low69 Ų69134.8 Ų134.871%0.71178%0.775SS**  cis164149.2-14.200000114.6
652A30.2Very low32.3Very low103 Ų103134.8 Ų134.885%0.85177%0.768SS**  trans78.8146.816600000117.6
653T31.6Very low32.5Very low119 Ų119141.4 Ų141.473%0.7378%0.778SS**  cis-149.3159.30.659.90000114.7
654R35.1Very low32.5Very low250 Ų250135.8 Ų135.894%0.94377%0.77SS**  trans69.6148.6148.9-76.8173173.2175.3-1.6122.9
655G27.5Very low33.2Very low69 Ų69133.5 Ų133.571%0.71177%0.769SS**  trans-125.5-140.817300000111.4
656P43.9Very low32.6Very low106 Ų106133 Ų13369%0.68877%0.768SS**  cis-145.1-168.24.228.8-0.9000117.1
657H28.6Very low33.8Very low176 Ų176131.9 Ų131.982%0.81576%0.764SS**  trans78138.5166.9-54.3-61.3000118.5
658A29.2Very low33.7Very low94 Ų94131 Ų13178%0.77777%0.766SS**  cis108.6143.223.800000112.4
659A31.1Very low33.7Very low78 Ų78131.7 Ų131.765%0.64577%0.767SS**  cis-160.5-158.8-4.400000112.4Q278Q278-A659 PolarHBondContact NE2-O 3.21Å; Q278-A659 PolarHBondContact OE1-O 3Å
660A32.2Very low33.6Very low78 Ų78133.1 Ų133.165%0.64577%0.771SS**  trans-83.8-167.2-171.400000114.8Q278Q278-A660 VanDerWaalsContact OE1-CA 3.27Å
661A34.1Very low33.9Very low81 Ų81131 Ų13167%0.66976%0.763SS**  cis-165.1148.41700000111.8
662L37.5Very low34Very low146 Ų146133.4 Ų133.476%0.76477%0.766SS**  80.7161.397.4-67.8-179.2000120.8A275A275-L662 HydrophobicContact CB-CD2 4.13Å
663R34.7Very low33.9Very low238 Ų238132.5 Ų132.590%0.89875%0.754SS**  trans81.1152.5167.1-80.8-168.9142.895.9-2.9119.8
664S30.1Very low33.9Very low94 Ų94133.6 Ų133.666%0.65775%0.753SS**  cis-160.8-139.4-23.745.50000114.7
665P48.3Very low33.8Very low110 Ų110129 Ų12971%0.71475%0.747SS**  -138.1167-104.643.4-25.1000120.9
666S24.2Very low33.8Very low115 Ų115129.5 Ų129.580%0.80475%0.752SS**  trans60.6178.6148.8-112.90000120.6
667P53.5Low33.2Very low121 Ų121130.1 Ų130.179%0.78676%0.759SS**  cis-129.9-147.8-10.139.7-19000115.3
668C28.2Very low33.1Very low109 Ų109126.3 Ų126.374%0.73676%0.758SS**  trans-114.6175.3-158.6-41.10000116.5
669F32.4Very low33Very low194 Ų194127.5 Ų127.585%0.85176%0.761SS**  trans-152.8139.5150.1-88.9-53.2000116.9
670F30.5Very low33.1Very low187 Ų187133.3 Ų133.382%0.8277%0.771SS**  trans52.1133.3156.6-75.9-77.3000126.7
671R34.9Very low33.1Very low214 Ų214134.7 Ų134.781%0.80878%0.776SS**  trans-115.1164149.6-64.7179.2168.6-173.8-2.8108.6
672P36.8Very low32.9Very low119 Ų119136.9 Ų136.977%0.77379%0.786SS**  -138.1158.587.923.6-1.7000112.6
673S27.3Very low32.6Very low85 Ų85133.3 Ų133.359%0.59479%0.785SS**  cis71.2136.248.1-64.60000113.6
674I31.8Very low32.7Very low141 Ų141133.7 Ų133.772%0.72379%0.787SS**  cis-158.5148.13.7-121.7165.4000112.7
675L34Very low32.8Very low155 Ų155137 Ų13781%0.81280%0.796SS**  trans30.9139.3154-55.9167.3000123.9
676G26.1Very low32Very low79 Ų79137.1 Ų137.181%0.81480%0.8SS**  trans-154.1112.614900000110.5
677S31.1Very low33.1Very low118 Ų118140.4 Ų140.483%0.82580%0.802SS**  trans-90129.9-171.2-610000113.6
678A26.8Very low32.7Very low96 Ų96139.8 Ų139.879%0.79380%0.798SS**  trans-152.6109.5161.100000112.9
679S28Very low33Very low120 Ų120139.6 Ų139.684%0.83980%0.798SS**  trans20.8106.8147.7-52.20000121.2
680K33.3Very low33.2Very low200 Ų200138 Ų13887%0.8780%0.798SS**  -166.5145.2112.1-105.6172-177.5-178.80111.9
681S31.9Very low33.3Very low106 Ų106135 Ų13574%0.74180%0.798SS**  trans27.8111.616350.60000118.3
682S29.8Very low33.4Very low127 Ų127132.4 Ų132.489%0.88880%0.8SS**  59.312070.3-165.10000113
683G30.1Very low33.5Very low72 Ų72132.6 Ų132.674%0.74280%0.801SS**  cis-170.8168.6-1.100000112.8
684R37.6Very low33.9Very low246 Ų246134.7 Ų134.793%0.92881%0.81SS**  trans-90.9142165.5-75.3-79.3-167.9161.42.2108.7
685L31.6Very low34.3Very low163 Ų163137.1 Ų137.185%0.85382%0.818SS**  179.1144.5128.9-95.2174.6000110.1
686S31.1Very low34.3Very low113 Ų113136.7 Ų136.779%0.7982%0.817SS**  trans40.1131.9157.2530000123
687E47.2Very low35.1Very low184 Ų184138.5 Ų138.586%0.8682%0.817SS**  trans-64.6178.1158.1-71-166.1147.600112.7
688P47Very low35.5Very low108 Ų108141.3 Ų141.370%0.70182%0.817SS**  cis-146.9-174.821.345.3-25000119.8
689S34.7Very low36.8Very low105 Ų105143.7 Ų143.773%0.73482%0.816SS**  trans78.8146.2151.8-57.60000120.9
690L36.3Very low37.2Very low160 Ų160145.1 Ų145.184%0.83881%0.814SS**  -166.6112.9-70.5-104.3171.4000110.6
691C32.1Very low37.2Very low124 Ų124145.4 Ų145.484%0.83881%0.811SS**  trans-170.8134158.4-103.30000109
692L35.8Very low37.5Very low160 Ų160144.5 Ų144.584%0.83881%0.81SS**  trans-143.6149.8176-77.3178000111.7
693P39.7Very low38Very low123 Ų123144.2 Ų144.280%0.79981%0.805SS**  trans-70.4158.8171.6-13.629.8000112.4
694V34.8Very low38.4Very low129 Ų129146.7 Ų146.778%0.78281%0.808SS**  trans-93.1123.9172.7175.50000108.7
695E40.5Very low38.2Very low191 Ų191140.8 Ų140.889%0.89380%0.804SS**  trans175.7134.9137.9-97.7152.5-160.500113.1
696D34Very low38.7Very low146 Ų146139.1 Ų139.178%0.78180%0.803SS**  trans110.594.3151.4-155.618.4000119
697S42.7Very low39Very low117 Ų117137.1 Ų137.182%0.81880%0.801SS**  trans-155.297.8144.862.90000109
698Q41.2Very low38.2Very low177 Ų177133.3 Ų133.383%0.82780%0.8SS**  trans-66.7144.1168.1-65.9-179.8-4.600111.2
699D52.5Low37.5Very low147 Ų147132.7 Ų132.779%0.78680%0.804SS**  trans60.4114.8157.5-161.813.9000119.4
700L37.7Very low37.3Very low149 Ų149132 Ų13278%0.7881%0.806SS**  trans-168.1117.7144.3-106.2158.5000110.8
701Y33.8Very low37Very low207 Ų207130.5 Ų130.581%0.81281%0.808SS**  trans68.889.5171.5-69.2-73000119.1
702A38.5Very low36.7Very low87 Ų87128 Ų12872%0.71980%0.804SS**PPolyproline II helixtrans-72.5146.914300000111.1
703P39.9Very low36.9Very low121 Ų121126.3 Ų126.379%0.78680%0.802SS**PPolyproline II helixtrans-78.5147.316732.4-33000111.5
704P38.4Very low36.3Very low123 Ų123126.2 Ų126.280%0.79980%0.799SS**PPolyproline II helixtrans-95.8154.1-167.936.5-36.5000115.5
705S33.6Very low36.1Very low122 Ų122127.2 Ų127.285%0.85380%0.799SS**PPolyproline II helixtrans-93.6136.8162.4-52.90000111.6
706P42.1Very low35.4Very low128 Ų128124.6 Ų124.683%0.83180%0.796SS**PPolyproline II helixtrans-98.8155.7158.536.5-29.5000111.1
707G36Very low35.1Very low72 Ų72121 Ų12174%0.74279%0.793SS**  cis174.2166.5-7.800000112.5
708A30.9Very low34.4Very low103 Ų103122.5 Ų122.585%0.85179%0.792SS**  trans-158.4143.3175.300000109.3
709A32.2Very low34Very low95 Ų95119.4 Ų119.479%0.78579%0.79SS**  cis-156.3172.1-2.200000112.5
710A31.2Very low33Very low92 Ų92121.3 Ų121.376%0.7679%0.794SS**  trans66.1109.3150.500000121.7
711S30Very low32.6Very low128 Ų128118.8 Ų118.890%0.89580%0.795SS**  165.1133.6121-73.20000112.4
712G25.3Very low32.6Very low72 Ų72120 Ų12074%0.74280%0.798SS**  trans-99.3-151.5172.100000113
713P39.8Very low31.9Very low124 Ų124126 Ų12681%0.80581%0.808SS**  cis-137-158.3-5.327.8-2.1000114
714V27.7Very low31.4Very low121 Ų121125.7 Ų125.773%0.73381%0.807SS**  trans109.5112.4148.7-1770000121
715L29.3Very low31.1Very low150 Ų150126.9 Ų126.979%0.78581%0.806SS**  trans76.5106.7147.9-70.2169.3000125.8
716V27Very low31.2Very low136 Ų136128.7 Ų128.782%0.82480%0.801SS**  60.9137.5113.8169.70000123
717G28.1Very low31.2Very low69 Ų69130.2 Ų130.271%0.71180%0.802SS**  trans159.653.7148.900000123.7
718D26.5Very low31.2Very low149 Ų149135.2 Ų135.280%0.79781%0.806SS**  trans16.8125.3155.5-59.9-21.5000125.3
719S33.1Very low31.5Very low113 Ų113135.1 Ų135.179%0.7980%0.795SS**  trans72.8160130.983.20000120.8
720Q32.1Very low31.8Very low186 Ų186138.4 Ų138.487%0.86979%0.794SS**  cis-155.2163.61.2-153.4-178.6000112.1
721A29.3Very low32.6Very low96 Ų96139.6 Ų139.679%0.79380%0.797SS**  trans78.8152.8162.800000119.3
722R33.3Very low33.7Very low234 Ų234142.6 Ų142.688%0.88380%0.797SS**  trans-149.7154.1-168.1-54170.691.1152.54.4111.3
723F25.1Very low35.3Very low212 Ų212145.2 Ų145.293%0.9379%0.793SS**  trans-148.5150.2143.6-95.7-75.8000108.4
724C29.4Very low36.5Very low114 Ų114144.2 Ų144.277%0.7778%0.781SS**  trans-83.4168.3-175.1-57.20000112
725L32.2Very low38.3Very low148 Ų148143.5 Ų143.578%0.77577%0.772SS**  cis-106.5-138.68.2-146.925.7000109.7
726E34.3Very low39.5Very low161 Ų161141.4 Ų141.475%0.75278%0.777SS**  cis-157154.95.3-147.8147-94.500110
727D41.9Very low41Very low159 Ų159142 Ų14285%0.8578%0.776SS**  trans16102.1170.6-72.2-6.9000120.4
728E36Very low42.5Very low177 Ų177141 Ų14183%0.82777%0.765SS**  trans-151.395.6157.3-170.892.3-104.300112.3
729V37Very low43.9Very low102 Ų102142 Ų14262%0.61876%0.763SS**  trans51125.8134.2-1670000122.3
730Q38.8Very low45Very low163 Ų163141.9 Ų141.976%0.76275%0.753SS**  trans72120.4150.7-75.71610.200123.5
731S47.9Very low46.3Very low117 Ų117138 Ų13882%0.81874%0.738SS**  31.9115.1127.5-51.70000121
732Q54.7Low47.2Very low192 Ų192139.8 Ų139.890%0.89774%0.739SS**  trans-136.896.3162.6-66.1-18018.400110.5
733L58.5Low47.5Very low126 Ų126131.9 Ų131.966%0.6673%0.73SS**SBendtrans-132.6-12.1176.2-168.961000113.1L740L733-L740 HydrophobicContact CD1-CD2 3.96Å; L733-L740 HydrophobicContact CD2-CD2 4.32Å; L733-L740 HydrophobicContact CG-CD2 3.77Å
734L65Low48Very low104 Ų104127 Ų12755%0.54572%0.723SS.*BIsolated β-bridgetrans-125.6138.1174.7-53.8174.5000108F739 L740L734-F739 VanDerWaalsContact CA-O 3.3Å; L734-F739 WeakPolarHBondContact CA-O 3.49Å; L734-L740 HydrophobicContact CD2-CB 4.4Å; L734-L740 HydrophobicContact CD2-CG 3.93Å
735D65.2Low48.5Very low105 Ų105132.8 Ų132.856%0.56173%0.728SS**  trans-76.4175.3170.3-105.626.4000111.3D737 G738 F739 N741D735-D737 PolarHBondContact O-N 3.24Å; D735-G738 PolarHBondContact O-N 3.36Å; D735-F739 PolarHBondContact N-O 2.92Å; D735-N741 WeakPolarHBondContact CB-OD1 3.42Å; D735-N741 VanDerWaalsContact CG-OD1 3.28Å; D735-N741 PolarHBondContact OD1-ND2 3.4Å; D735-N741 PolarHBondContact OD1-OD1 3.17Å
736A54.3Low48.7Very low107 Ų107131.9 Ų131.988%0.88473%0.731SS**THydrogen-bonded Turntrans-58.9-20.4-169.900000115.5
737D58.4Low48.5Very low149 Ų149127.1 Ų127.180%0.79773%0.726SS**THydrogen-bonded Turntrans-96.78.6176.5-62.6-41.6000113.5D735D735-D737 PolarHBondContact O-N 3.24Å
738G60.3Low48.1Very low48 Ų48126.3 Ų126.350%0.49573%0.727SS.*SBendtrans88.35.816400000117.5D735D735-G738 PolarHBondContact O-N 3.36Å
739F54.9Low47.7Very low169 Ų169122.5 Ų122.574%0.74172%0.719SS**  trans-97.7153.7176-73.3-89000112.9L734 D735L734-F739 VanDerWaalsContact CA-O 3.3Å; L734-F739 WeakPolarHBondContact CA-O 3.49Å; D735-F739 PolarHBondContact N-O 2.92Å
740L56.9Low47.4Very low111 Ų111126.9 Ų126.958%0.58173%0.733SS**BIsolated β-bridgetrans-63.5133.1173.7-98.8155.1000111.2L733 L734 V742L733-L740 HydrophobicContact CD1-CD2 3.96Å; L733-L740 HydrophobicContact CD2-CD2 4.32Å; L733-L740 HydrophobicContact CG-CD2 3.77Å; L734-L740 HydrophobicContact CD2-CB 4.4Å; L734-L740 HydrophobicContact CD2-CG 3.93Å; L740-V742 WeakPolarHBondContact O-CG2 3.5Å; L740-V742 PolarHBondContact O-N 2.88Å
741N58.2Low47.4Very low103 Ų103127.5 Ų127.555%0.55173%0.733SS**  trans-74.984.8178.7-84-11.2000112.4D735D735-N741 WeakPolarHBondContact CB-OD1 3.42Å; D735-N741 VanDerWaalsContact CG-OD1 3.28Å; D735-N741 PolarHBondContact OD1-ND2 3.4Å; D735-N741 PolarHBondContact OD1-OD1 3.17Å
742V48.9Very low46.8Very low135 Ų135131.2 Ų131.282%0.81873%0.729SS**  trans-96.3127.9166.3-131.80000109L740L740-V742 WeakPolarHBondContact O-CG2 3.5Å; L740-V742 PolarHBondContact O-N 2.88Å
743G40.8Very low45.9Very low68 Ų68129.9 Ų129.970%0.70172%0.723SS**  trans-64.8172.5-163.600000116.8
744S34.2Very low44.7Very low110 Ų110131.6 Ų131.677%0.76973%0.732SS**  cis-165.3150.249.4-68.30000116.5
745R40.6Very low43.1Very low234 Ų234133.9 Ų133.988%0.88374%0.744SS**  trans33135.6136.3-54.2179.6-170.8-101.92.7119.2
746P35.2Very low41.6Very low129 Ų129135.7 Ų135.784%0.83875%0.753SS**  -134.8171.855.931.6-11.2000113.3
747G30.8Very low40.6Very low62 Ų62137.5 Ų137.564%0.63975%0.747SS**  cis106.7110.634.600000109
748T32.9Very low39.4Very low142 Ų142135.6 Ų135.687%0.87175%0.746SS**  167162.998.940.80000108.8
749S28.6Very low38.6Very low97 Ų97141.6 Ų141.668%0.67877%0.765SS**  cis-166144.6-25.6550000108.7
750H31.3Very low37.8Very low193 Ų193140 Ų14089%0.89476%0.764SS**  trans-138.5155.6163.1-99.326.6000111
751K38.1Very low37.5Very low176 Ų176143.6 Ų143.677%0.76578%0.778SS**  trans-79.4154.6-163.1-62.9143.5-174.71670111.4
752R34.8Very low36.9Very low196 Ų196144.8 Ų144.874%0.7479%0.785SS**  cis-164.8140.32.5-129-174.5-69.4-147.73.6110.4
753Q35.9Very low37.1Very low163 Ų163142.7 Ų142.776%0.76278%0.782SS**  trans49.3130.6149.3-69.5161.8-55.200118.6
754L34.2Very low37.5Very low163 Ų163147.7 Ų147.785%0.85379%0.789SS**  -141-179.153.8-80.7167.2000115.7
755L31.5Very low38.5Very low152 Ų152149 Ų14980%0.79679%0.787SS**  trans-66.2163.1175-74.2162.4000113.4
756L32.6Very low39.2Very low143 Ų143142.5 Ų142.575%0.74978%0.784SS**  cis-160.5173.7-9.4-176.457.9000108.4
757D34.5Very low39.7Very low144 Ų144144.3 Ų144.377%0.7778%0.781SS**  trans-53.7139.9178.3-54.2-81000116
758S33.3Very low40.7Very low109 Ų109147.1 Ų147.176%0.76278%0.779SS**  179144.6105.456.80000113.9
759L42.3Very low41.9Very low174 Ų174142.5 Ų142.591%0.91176%0.759SS**  trans12.8130.3150.6-58.1164.5000120.2
760D39.3Very low43.4Very low135 Ų135140.9 Ų140.972%0.72275%0.752SS**  -165.2166.5111-165.227.7000111.9N762D760-N762 PolarHBondContact OD2-ND2 3.24Å
761E48.9Very low44.7Very low187 Ų187136.8 Ų136.887%0.87474%0.736SS**  trans-110.79.9-170.2-155.4162.1165.500114
762N47.3Very low45.7Very low129 Ų129134.3 Ų134.369%0.6973%0.731SS**  trans-103.966.1-171.1-70.2-60.3000114.6D760D760-N762 PolarHBondContact OD2-ND2 3.24Å
763A53.1Low46.6Very low91 Ų91132.6 Ų132.675%0.75273%0.731SS**  trans-112.55.1-170.800000117
764M47.2Very low47.5Very low172 Ų172131.9 Ų131.985%0.84773%0.732SS**SBendtrans-95.8-30.8-175.8-71.5-62.3-17100115.2A766M764-A766 VanDerWaalsContact C-N 3.28Å; M764-A766 PolarHBondContact O-N 3.07Å
765D55.2Low48.4Very low137 Ų137129.5 Ų129.573%0.73373%0.727SS**G310 helixtrans-75.6-15.6-168.9-58.7-19.8000114.1Q767D765-Q767 PolarHBondContact O-N 3.03Å
766A55.4Low49.2Very low98 Ų98126.1 Ų126.181%0.8172%0.716SS**G310 helixtrans-70.3-5.5-167.500000116M764M764-A766 VanDerWaalsContact C-N 3.28Å; M764-A766 PolarHBondContact O-N 3.07Å
767Q47.4Very low49.9Very low167 Ų167121.8 Ų121.878%0.7871%0.706SS**G310 helixtrans-113.5-1.6-176.5-142.7-178.9-95.600115.3D765D765-Q767 PolarHBondContact O-N 3.03Å
768M50.3Low50.3Low122 Ų122125.5 Ų125.560%0.60171%0.709SS**THydrogen-bonded Turntrans-76.3-31.9173-69.3-60-68.400112.5A770 L771 L772M768-A770 PolarHBondContact O-N 3.22Å; M768-L771 WeakPolarHBondContact O-CB 3.36Å; M768-L771 PolarHBondContact O-N 2.86Å; M768-L771 VanDerWaalsContact O-N 3.1Å; M768-L772 PolarHBondContact O-N 2.85Å
769G59.5Low50.4Low44 Ų44130.3 Ų130.345%0.45472%0.717SS.*Hα-helixtrans-59.8-41.9178.500000113.5L771 L772 E773G769-L771 PolarHBondContact O-N 3.32Å; G769-L772 PolarHBondContact O-N 3.31Å; G769-E773 WeakPolarHBondContact O-CB 3.32Å; G769-E773 PolarHBondContact O-N 2.96Å
770A58.6Low50.2Low64 Ų64125.7 Ų125.753%0.52971%0.711SS.*Hα-helixtrans-68.6-14.5177.700000114M768M768-A770 PolarHBondContact O-N 3.22Å
771L60.3Low49.9Very low107 Ų107125.3 Ų125.356%0.5672%0.719SS**Hα-helixtrans-85.8-39173-167.267.1000110.9M768 G769 L774M768-L771 WeakPolarHBondContact O-CB 3.36Å; M768-L771 PolarHBondContact O-N 2.86Å; M768-L771 VanDerWaalsContact O-N 3.1Å; G769-L771 PolarHBondContact O-N 3.32Å; L771-L774 PolarHBondContact O-N 3.42Å
772L57.3Low49.5Very low124 Ų124121 Ų12165%0.64972%0.716SS**Hα-helixtrans-65.5-37172.8-74.5155.9000112.1M768 G769 L774 C775M768-L772 PolarHBondContact O-N 2.85Å; G769-L772 PolarHBondContact O-N 3.31Å; L772-L774 PolarHBondContact O-N 3.35Å; L772-C775 PolarHBondContact O-N 2.75Å; L772-C775 VanDerWaalsContact O-N 3.1Å
773E54Low49.4Very low160 Ų160120.6 Ų120.675%0.74872%0.72SS**THydrogen-bonded Turntrans-66.6-15.4178.2-156.3170.1-146.200113.3G769G769-E773 WeakPolarHBondContact O-CB 3.32Å; G769-E773 PolarHBondContact O-N 2.96Å
774L55.5Low48.3Very low148 Ų148122.1 Ų122.178%0.77573%0.725SS**THydrogen-bonded Turntrans-87.2-11.4174.9-161.165.9000113.3L771 L772L771-L774 PolarHBondContact O-N 3.42Å; L772-L774 PolarHBondContact O-N 3.35Å
775C52.2Low47.5Very low112 Ų112117.4 Ų117.476%0.75772%0.721SS**SBendtrans-106.412-178.2-64.70000113.6L772L772-C775 PolarHBondContact O-N 2.75Å; L772-C775 VanDerWaalsContact O-N 3.1Å
776S48.1Very low46.9Very low81 Ų81116.8 Ų116.857%0.56672%0.724SS**SBendtrans-126.5105.4173.1-65.30000109.1R778S776-R778 VanDerWaalsContact C-N 3.32Å; S776-R778 PolarHBondContact O-N 3.17Å
777G48Very low46Very low52 Ų52116.6 Ų116.654%0.53672%0.723SS.*  trans-73.856.3-157.500000117.7E812G777-E812 WeakPolarHBondContact O-CG 3.47Å
778R42.3Very low45.4Very low222 Ų222117.3 Ų117.384%0.83873%0.726SS**  trans-102.997.9-177.6-166.3169.7-178.4169.31.7114.1S776S776-R778 VanDerWaalsContact C-N 3.32Å; S776-R778 PolarHBondContact O-N 3.17Å
779F35.9Very low44.8Very low210 Ų210118.8 Ų118.892%0.92174%0.736SS**  trans-61.9141.8177-82.8-94.1000114.4
780G37.5Very low44Very low77 Ų77125.6 Ų125.679%0.79476%0.756SS**  trans-136.8127.7165.700000110.7
781S34.5Very low43.1Very low128 Ų128131.2 Ų131.290%0.89578%0.776SS**  trans-86.4138.2-16952.30000114.2
782A39.8Very low42.1Very low96 Ų96134.2 Ų134.279%0.79379%0.792SS**  trans-89167.3177.200000112.8
783P46.2Very low41.2Very low120 Ų120130.5 Ų130.578%0.77978%0.784SS**  trans-140.2110.7147.434.9-19.2000114.9
784S28.3Very low40.2Very low124 Ų124132.9 Ų132.987%0.86779%0.792SS**  165.8139.9121.647.30000112.6
785G30.3Very low39.1Very low73 Ų73132.1 Ų132.175%0.75380%0.798SS**  trans-98.6-140.4179.800000113.2
786P44.3Very low38.2Very low124 Ų124132.5 Ų132.581%0.80580%0.802SS**  cis-139.9154.111.640.7-22.6000118.1
787A35.2Very low37.2Very low94 Ų94131.9 Ų131.978%0.77781%0.809SS**  trans63.9159.2147.800000118.7
788Q34.9Very low36.6Very low182 Ų182133.6 Ų133.685%0.8582%0.817SS**  cis-139.1147.915.7-65.7171.1-33.100112.4
789D37.2Very low35.8Very low153 Ų153132.8 Ų132.882%0.81882%0.82SS**  trans-99.2135.9160.9-78.2-55.1000110.7
790E44.2Very low36Very low187 Ų187127.6 Ų127.687%0.87481%0.808SS**  trans-148.683.7161.8-77.5-159.2160.200112.5
791L38.3Very low35.5Very low181 Ų181132.3 Ų132.395%0.94881%0.809SS**  trans-163.571.8130.8-147.869.7000113.7
792L39.3Very low35.2Very low170 Ų170132.3 Ų132.389%0.8980%0.804SS**  trans-94.5145.3173.7-87.7163.9000113
793G39Very low34.6Very low47 Ų47132.1 Ų132.149%0.48580%0.802SS.*  trans100.475.9132.600000120
794F32.4Very low33.8Very low210 Ų210130 Ų13092%0.92180%0.795SS**SBendtrans-141.4130.3136.7-66.4-75.1000107.3
795C34Very low33.7Very low131 Ų131132.4 Ų132.489%0.88579%0.793SS**SBendcis-118.9158.913-64.40000112.9
796S31.5Very low33.7Very low120 Ų120136.9 Ų136.984%0.83979%0.794SS**  trans-126.8151.3-173.2-45.80000114.1
797G28.1Very low32.9Very low69 Ų69139.1 Ų139.171%0.71179%0.794SS**  trans-175.3104.3159.700000108.3
798A34.9Very low32.8Very low87 Ų87143 Ų14372%0.71980%0.796SS**  63.8124.370.100000111.7
799F26.2Very low32.8Very low205 Ų205142.5 Ų142.590%0.89979%0.793SS**  cis-134.2172.936.9-89-100.1000115.3
800P39.8Very low32.6Very low102 Ų102146.3 Ų146.366%0.66280%0.796SS**  trans-118.7-167.6-167.643.2-30.9000115.2
801Q27.7Very low32.1Very low175 Ų175146.6 Ų146.682%0.81880%0.795SS**  trans107.1136.8172.5-62.4175.5500113.5
802T27.2Very low31.7Very low129 Ų129143 Ų14379%0.79177%0.773SS**  cis-150.81709.5-10.80000113.8
803A28.2Very low31.5Very low91 Ų91143.8 Ų143.875%0.75277%0.772SS**  trans-40.5164.7157.700000115.7
804A28.3Very low31.2Very low76 Ų76150 Ų15063%0.62879%0.789SS**  cis-171.8-170.9-12.900000107.8
805E27.7Very low31.6Very low175 Ų175148.5 Ų148.582%0.81878%0.784SS**  trans68.2154.4174-61.9145.2-14900113
806E29.3Very low32.3Very low166 Ų166148.7 Ų148.778%0.77678%0.777SS**  cis-156.6156.8-17.4-114.2170.1-174.600108.9
807E28.4Very low33.2Very low172 Ų172149.1 Ų149.180%0.80477%0.769SS**  trans41.8144158.1-53.1-158.4138.700125.7
808E31.8Very low34.6Very low176 Ų176152.7 Ų152.782%0.82277%0.769SS**  trans73.8145.9148.9-76.4-171.8160.900126.1
809E35.1Very low35.7Very low171 Ų171156.2 Ų156.280%0.79977%0.771SS**  trans41.5110.2162.3-61.7-158.7141.100124.8
810R33.3Very low36.9Very low232 Ų232153.2 Ų153.288%0.87576%0.76SS**  -174.5148.6128.3-90138.4-155.9-111.22.2108.7
811K33.3Very low38.1Very low194 Ų194154.2 Ų154.284%0.84376%0.759SS**  cis78.8136.145.5-86-160.8170.3-1650114.8
812E31.1Very low39.8Very low105 Ų105152.8 Ų152.849%0.49175%0.754SS.*  trans-84.6142.3-170.7-59.799.4160.500114.8G777G777-E812 WeakPolarHBondContact O-CG 3.47Å
813E33.8Very low41.5Very low187 Ų187150.1 Ų150.187%0.87475%0.745SS**  trans-146.2111.5164.1-73176.1-174.300108.5
814E33.9Very low42.8Very low178 Ų178152 Ų15283%0.83274%0.741SS**  trans-164.273.4168.7-145.6171.9-123.900112.4
815Q41Very low44.1Very low177 Ų177153.7 Ų153.783%0.82775%0.747SS**  trans-132.4-6172.5-75.2-163.3-5.700116.1N817Q815-N817 VanDerWaalsContact C-N 3.29Å; Q815-N817 PolarHBondContact O-N 2.83Å; Q815-N817 VanDerWaalsContact O-N 3.16Å
816D47.7Very low45.3Very low136 Ų136150.5 Ų150.573%0.72775%0.745SS**G310 helixtrans-80.1-2.5-163.4-57.612.1000115.1M818D816-M818 PolarHBondContact O-N 2.98Å; D816-M818 VanDerWaalsContact O-N 3.11Å
817N51.3Low46Very low128 Ų128145.9 Ų145.968%0.68474%0.742SS**G310 helixtrans-75.65.9-172.3-70.9-61.1000115.6Q815Q815-N817 VanDerWaalsContact C-N 3.29Å; Q815-N817 PolarHBondContact O-N 2.83Å; Q815-N817 VanDerWaalsContact O-N 3.16Å
818M57Low46.5Very low145 Ų145148.8 Ų148.871%0.71475%0.745SS**G310 helixtrans-112.6-25.7176.4-67.3-157.8-6200114.7D816 L821 M822D816-M818 PolarHBondContact O-N 2.98Å; D816-M818 VanDerWaalsContact O-N 3.11Å; M818-L821 PolarHBondContact O-N 3.14Å; M818-M822 WeakPolarHBondContact O-CG 3.47Å; M818-M822 PolarHBondContact O-N 3.27Å
819E57.6Low46.6Very low161 Ų161150 Ų15075%0.75275%0.748SS**Hα-helixtrans-71.9-38177.8-67.2-161142.900112.2L821 M822 A823E819-L821 PolarHBondContact O-N 2.62Å; E819-M822 PolarHBondContact O-N 3.03Å; E819-M822 VanDerWaalsContact O-N 3.15Å; E819-A823 WeakPolarHBondContact O-CB 3.33Å; E819-A823 PolarHBondContact O-N 3.37Å
820E52.4Low46.9Very low142 Ų142148 Ų14866%0.66475%0.75SS**Hα-helixtrans-59.7-35173.7-172.1175.4-174.400111.7L824E820-L824 PolarHBondContact O-N 2.69Å
821L64.7Low46.7Very low123 Ų123140.3 Ų140.364%0.64474%0.743SS**Hα-helixtrans-71.3-34.9178.2-158.672.8000112.3M818 E819M818-L821 PolarHBondContact O-N 3.14Å; E819-L821 PolarHBondContact O-N 2.62Å
822M63.1Low47.5Very low145 Ų145136.4 Ų136.471%0.71474%0.737SS**Hα-helixtrans-74.7-37.6175-63.3-124.5-73.400111.9M818 E819 L824 C825M818-M822 WeakPolarHBondContact O-CG 3.47Å; M818-M822 PolarHBondContact O-N 3.27Å; E819-M822 PolarHBondContact O-N 3.03Å; E819-M822 VanDerWaalsContact O-N 3.15Å; M822-L824 VanDerWaalsContact C-N 3.27Å; M822-L824 PolarHBondContact O-N 3.5Å; M822-C825 PolarHBondContact O-N 3Å
823A61.6Low47.5Very low72 Ų72138.6 Ų138.660%0.59575%0.753SS**Hα-helixtrans-61.6-32.9176.400000113.1E819 C825E819-A823 WeakPolarHBondContact O-CB 3.33Å; E819-A823 PolarHBondContact O-N 3.37Å; A823-C825 VanDerWaalsContact C-N 3.32Å; A823-C825 PolarHBondContact O-N 3.14Å
824L57.2Low47.6Very low130 Ų130134.8 Ų134.868%0.68175%0.747SS**THydrogen-bonded Turntrans-71.1-20.1179.4-83.1164.1000114.6E820 M822E820-L824 PolarHBondContact O-N 2.69Å; M822-L824 VanDerWaalsContact C-N 3.27Å; M822-L824 PolarHBondContact O-N 3.5Å
825C55.3Low47.5Very low112 Ų112130.8 Ų130.876%0.75774%0.744SS**THydrogen-bonded Turntrans-86.6-24.5-179.6-67.40000113.8M822 A823M822-C825 PolarHBondContact O-N 3Å; A823-C825 VanDerWaalsContact C-N 3.32Å; A823-C825 PolarHBondContact O-N 3.14Å
826S52.3Low47Very low109 Ų109129.8 Ų129.876%0.76274%0.744SS**SBendtrans-94.3-0.7-171.5-57.60000115.3
827G43.8Very low46.1Very low69 Ų69127.7 Ų127.771%0.71174%0.741SS**  trans69.442.3145.700000120
828R39Very low45.1Very low233 Ų233128.4 Ų128.488%0.87975%0.75SS**  trans-147.7135.1161.3-156164.9179.8172.8-3115.4
829F35Very low43.7Very low200 Ų200126.7 Ų126.788%0.87775%0.752SS**  trans-84.9146.8174.8-69.8-92.8000112.4
830P41.1Very low43.1Very low129 Ų129124.3 Ų124.384%0.83875%0.751SS**  trans-84151.117434-34.7000113.3
831G28.9Very low41.9Very low72 Ų72122.5 Ų122.574%0.74276%0.759SS**  trans-155.2145.6167.300000109.8
832P49.1Very low40.4Very low111 Ų111121.5 Ų121.572%0.72177%0.769SS**  trans-120.4172.3-144.742.5-32.3000116.4
833D32.4Very low38.7Very low151 Ų151122 Ų12281%0.80777%0.77SS**  trans69.3145.8155.2-58.7-29.7000118.8
834S34.4Very low37.4Very low108 Ų108127 Ų12776%0.75577%0.773SS**  cis-173.1173.5-12.952.30000111.7
835A33Very low36.1Very low93 Ų93128.5 Ų128.577%0.76978%0.777SS**  trans108.3133.7139.500000123.3
836D29.7Very low34.8Very low156 Ų156130.2 Ų130.283%0.83478%0.784SS**  trans85.593.1140-101.6-8.8000124.7
837S29.7Very low33.8Very low93 Ų93129.3 Ų129.365%0.6577%0.766SS**  50.5117107.6-168.20000121.6
838T29.6Very low33.2Very low143 Ų143129.2 Ų129.288%0.87776%0.759SS**  -179.6163.2111.225.10000113.7
839S29.1Very low32.9Very low109 Ų109124.4 Ų124.476%0.76275%0.746SS**  trans-122.8-174.3173.563.70000109.2
840P43.3Very low32.7Very low111 Ų111123.3 Ų123.372%0.72174%0.744SS**  cis-149.4-178.113.345.7-25.9000119.4
841A27.8Very low32.1Very low103 Ų103125.3 Ų125.385%0.85174%0.742SS**  trans80.2143142.100000121.9
842A32.4Very low31.9Very low102 Ų102129.6 Ų129.684%0.84374%0.743SS**  trans-133.3178.9178.200000111.5
843E29Very low30.8Very low156 Ų156132 Ų13273%0.72974%0.744SS**  trans-139128.5171.9-79.7-154.4165.700114.3
844R32.5Very low30.6Very low177 Ų177132.6 Ų132.667%0.66874%0.742SS**  trans77.8109.1138.2-71-179.8163.8107.412124.1
845E31.3Very low30.2Very low161 Ų161135.8 Ų135.875%0.75275%0.745SS**  51.5114.3116.1-61.7170.1-144.600121.2
846T28Very low30.2Very low148 Ų148140.5 Ų140.591%0.90875%0.751SS**  178.5167.6103.226.70000113.2
847K32Very low30.2Very low90 Ų90142.1 Ų142.139%0.39175%0.754SS.*  trans-100.7143.5179.1-177.9-166.5177.7171.30111K871 E872 E873K847-K871 HydrophobicContact CD-CB 4.37Å; K847-K871 HydrophobicContact CD-CD 4.04Å; K847-K871 HydrophobicContact CD-CG 3.8Å; K847-K871 HydrophobicContact CG-CB 4.3Å; K847-K871 HydrophobicContact CG-CD 4.28Å; K847-K871 HydrophobicContact CG-CG 4.18Å; K847-E872 WeakPolarHBondContact CE-O 3.5Å; K847-E872 VanDerWaalsContact NZ-CB 3.32Å; K847-E872 IonicContact NZ-OE2 2.85Å; K847-E872 PolarHBondContact NZ-OE2 3.48Å; K847-E873 IonicContact NZ-OE2 2.8Å; K847-E873 PolarHBondContact NZ-OE2 3.2Å
848A30.1Very low30.5Very low68 Ų68142 Ų14256%0.56276%0.758SS**  trans138.7124.5133.400000114.9
849E32.4Very low30.4Very low131 Ų131141.1 Ų141.161%0.61276%0.757SS**  trans59.8138.5142.8-68132.2-122.700122.9
850E30.8Very low30.5Very low178 Ų178145.1 Ų145.183%0.83276%0.763SS**  trans78.7137.6152.8-70.5169.7-176.500123.8
851E28.4Very low29.8Very low171 Ų171149.1 Ų149.180%0.79977%0.77SS**  trans70.7121.1154.5-68.8178.6166.600124.7
852E26.1Very low29.9Very low161 Ų161155.5 Ų155.575%0.75277%0.772SS**  trans65123.7136.5-65.9-174.9160.700125.9
853E25.7Very low29.8Very low162 Ų162158.6 Ų158.676%0.75777%0.773SS**  trans74.8129.5132.8-68.3-169153.600126.4
854E26.8Very low29.7Very low163 Ų163159 Ų15976%0.76278%0.78SS**  trans79.5136.2142.2-74.5-168.6150.100125.5
855E27.4Very low29.3Very low176 Ų176155.7 Ų155.782%0.82278%0.783SS**  trans62.9138.2161.8-64.1-176.4156.300119.1
856E32.6Very low29.1Very low191 Ų191154.9 Ų154.989%0.89379%0.785SS**  cis-134.9179.710.3-65.2-177.5135.900112.8
857E30.1Very low29Very low191 Ų191153.2 Ų153.289%0.89377%0.774SS**  trans-84.5165.5-170.2-53.2175.9119.500117.7
858A34.5Very low28.8Very low89 Ų89157.2 Ų157.274%0.73679%0.794SS**  trans71.3120146.700000122.3
859C28.1Very low28.7Very low125 Ų125158.8 Ų158.885%0.84580%0.801SS**  176.5112.7108.1-87.70000115.7F861C859-F861 PolarHBondContact O-N 3.28Å
860E31.9Very low28.5Very low193 Ų193159.4 Ų159.490%0.90280%0.804SS**  trans43.964.3138.7-148.3173.7-174.400122.2
861F28.6Very low28.7Very low195 Ų195156.5 Ų156.586%0.85579%0.788SS**  trans39.589130.2-147.4-87.9000122C859C859-F861 PolarHBondContact O-N 3.28Å
862R28.3Very low28.9Very low237 Ų237153.6 Ų153.689%0.89478%0.775SS**  -172.4139.8122.5-115.8174174.7141.91.2114.5
863L31.1Very low29.4Very low167 Ų167151.6 Ų151.687%0.87477%0.766SS**  trans-85.4139.1-176.9-75166.9000114.9
864L26.8Very low29.9Very low165 Ų165151.3 Ų151.386%0.86476%0.764SS**  trans-139.9163.6150.3-76.3179.3000108.9
865S25.1Very low30.2Very low107 Ų107151.5 Ų151.575%0.74877%0.765SS**  trans-42.5150.7173.551.50000114.5
866D25.7Very low30.5Very low145 Ų145151.5 Ų151.578%0.77577%0.765SS**  cis-160167.843.9-153.74.9000115.3
867V26.2Very low30.1Very low112 Ų112150.3 Ų150.368%0.67977%0.765SS**  trans-18.5138.5164.7165.20000116.8
868E27.3Very low30.3Very low174 Ų174150.7 Ų150.781%0.81377%0.766SS**  -175144.170.8-153.9161.1-144.600115.7
869S29.2Very low30Very low102 Ų102153.9 Ų153.971%0.71377%0.771SS**  trans65.9154.4160.2-64.90000120.7
870E28.8Very low30Very low144 Ų144155.5 Ų155.567%0.67377%0.772SS**  cis-165.3151.6-25.3-117.9-164.5-158.200109.4
871K33.3Very low29.9Very low117 Ų117152.2 Ų152.251%0.50976%0.764SS.*  trans69.9155.9164.6-89.8125.2-170.7155.10120.6K847K847-K871 HydrophobicContact CD-CB 4.37Å; K847-K871 HydrophobicContact CD-CD 4.04Å; K847-K871 HydrophobicContact CD-CG 3.8Å; K847-K871 HydrophobicContact CG-CB 4.3Å; K847-K871 HydrophobicContact CG-CD 4.28Å; K847-K871 HydrophobicContact CG-CG 4.18Å
872E34Very low30.5Very low109 Ų109145.8 Ų145.851%0.50975%0.753SS.*  cis162.2126.5-31.4-102.9168.1-165.100106.7K847K847-E872 WeakPolarHBondContact CE-O 3.5Å; K847-E872 VanDerWaalsContact NZ-CB 3.32Å; K847-E872 IonicContact NZ-OE2 2.85Å; K847-E872 PolarHBondContact NZ-OE2 3.48Å
873E36.2Very low30.8Very low120 Ų120143.2 Ų143.256%0.56175%0.751SS**  trans69.5148.1153-57.3152.7167.800117K847K847-E873 IonicContact NZ-OE2 2.8Å; K847-E873 PolarHBondContact NZ-OE2 3.2Å
874E35.1Very low31Very low156 Ų156142.9 Ų142.973%0.72975%0.745SS**  cis-164.5145.1-14.7-116.5173.1-171.500110.8
875E34.3Very low31.5Very low167 Ų167143.4 Ų143.478%0.7874%0.743SS**  trans72.8150152.2-58.6-69.3-176.800124.8
876E32.6Very low32.7Very low176 Ų176147.1 Ų147.182%0.82275%0.749SS**  trans60.171.7154.5-69.6-176.1176.500122.6
877D25.6Very low32.9Very low166 Ų166149 Ų14989%0.88875%0.753SS**  -174.7139108.1-101.9-22.5000110.1
878E33.5Very low33Very low198 Ų198149.8 Ų149.893%0.92575%0.753SS**  trans-92.2139.4-174.4-69.4-17914600113.5
879D29.2Very low33.7Very low156 Ų156151.5 Ų151.583%0.83476%0.761SS**  trans-70.5141.9-174.1-54.7-97.3000116.4
880D27.7Very low33.7Very low160 Ų160148.5 Ų148.586%0.85675%0.746SS**SBendtrans-115.4112.4156-179.762.7000105.6
881V29.8Very low33.7Very low123 Ų123146.7 Ų146.775%0.74574%0.744SS**SBendcis-136.5147.29.2177.70000108.3
882G41.4Very low33.4Very low61 Ų61149.4 Ų149.463%0.62976%0.757SS**  cis137.864.22.600000112.9
883E33.6Very low33.8Very low182 Ų182148.3 Ų148.385%0.8577%0.767SS**  trans-89.9152.7170.6-65.4175.7167.200109.5
884E35.2Very low33.5Very low160 Ų160149 Ų14975%0.74878%0.781SS**  cis-157.3155.9-2.3-122.6-179.9174.600107.6
885E38.9Very low33.2Very low176 Ų176150.6 Ų150.682%0.82278%0.781SS**  trans53.6130.3163.2-57.6-169.9147.700119.6
886E48.7Very low33.6Very low185 Ų185151.9 Ų151.986%0.86478%0.778SS**  cis-143.1128.47.1-56.4179.7113.300110.6
887E30.6Very low33.3Very low185 Ų185149.2 Ų149.286%0.86478%0.779SS**  trans-157.1170.6157.3-136.4-161.8-16600114.2
888L29Very low33.6Very low129 Ų129147.2 Ų147.268%0.67577%0.765SS**  trans78.359.6167.6-58.4177.7000120.1G890L888-G890 PolarHBondContact O-N 3.16Å
889Q42.2Very low34.4Very low209 Ų209145.4 Ų145.498%0.97775%0.754SS**SBendtrans-83.248.1137.6-168.476.6116.800111.1
890G27.8Very low34.9Very low39 Ų39147.8 Ų147.840%0.40276%0.756SS.*  trans-179.9109.4179.500000121.3L888L888-G890 PolarHBondContact O-N 3.16Å
891V29.8Very low36.1Very low106 Ų106149.4 Ų149.464%0.64276%0.756SS**  75.6102.5123.4171.60000121
892F27.2Very low36.5Very low174 Ų174152.2 Ų152.276%0.76376%0.763SS**  trans85.2124.6132.6-80.9-139.2000123.2
893A40.7Very low37Very low87 Ų87152 Ų15272%0.71976%0.756SS**  trans78.2145.8149.200000118.8
894P30.6Very low37.7Very low134 Ų134151.1 Ų151.187%0.8776%0.756SS**  -126167.998.737.5-34.5000114.4
895R29.8Very low38.5Very low190 Ų190149.4 Ų149.472%0.71775%0.749SS**  trans-113.1129.1176.6-83.2-153.8-176-74.97.6113.3
896R42.6Very low39Very low194 Ų194146.3 Ų146.373%0.73274%0.738SS**  trans52.1124.7137.6-60.5176.8175163.6-2.7119.1
897S25.6Very low39.2Very low120 Ų120146.2 Ų146.284%0.83973%0.731SS**  -110.3108122.562.40000108.2
898E33Very low40.4Very low124 Ų124142 Ų14258%0.57972%0.718SS**  74.370.992.4-76.3-73.7112.400115
899K48.4Very low41.5Very low160 Ų160141.9 Ų141.970%0.69671%0.714SS**  trans60.797.7139.7-54.7156.7-170.8149.70117.7
900K40.5Very low41.8Very low205 Ų205135.9 Ų135.989%0.89170%0.695SS**  -131.8146127.9-86.2101.5-176.5-176.40110.4
901K52.5Low43Very low194 Ų194141.9 Ų141.984%0.84371%0.713SS**  trans-91.5127161.2-49171.4-178.3-1780106.3
902M39.4Very low44Very low182 Ų182140 Ų14090%0.89771%0.708SS**  trans-179.9149.5158.6-71.9-37.7174.400105.1
903A50.3Low45Very low58 Ų58139.9 Ų139.948%0.47971%0.71SS.*  cis-147.1170-24.800000109.1M905A903-M905 PolarHBondContact O-N 2.99Å; A903-M905 VanDerWaalsContact O-N 3.12Å
904L48.3Very low45.1Very low163 Ų163144.2 Ų144.285%0.85372%0.72SS**SBendtrans-86.247.4-179.8-172.161.1000111.2
905M52.2Low46Very low123 Ų123143.5 Ų143.561%0.60672%0.718SS**SBendtrans-130.4-41.5-173.6-71.7179.159.600112.3A903 Y907 V908 E909A903-M905 PolarHBondContact O-N 2.99Å; A903-M905 VanDerWaalsContact O-N 3.12Å; M905-Y907 PolarHBondContact O-N 3.07Å; M905-V908 WeakPolarHBondContact O-CB 3.37Å; M905-V908 PolarHBondContact O-N 2.96Å; M905-E909 PolarHBondContact O-N 3.35Å
906D50.2Low46.8Very low111 Ų111138.3 Ų138.359%0.59472%0.724SS**Hα-helixtrans-60-21.4-179-44.333.1000112.4S910D906-S910 PolarHBondContact O-OG 3.36Å
907Y52.8Low46.5Very low183 Ų183134.3 Ų134.372%0.71873%0.726SS**Hα-helixtrans-85.6-3.4175.5-137.4-89.7000114.1M905M905-Y907 PolarHBondContact O-N 3.07Å
908V54.5Low47.4Very low97 Ų97136 Ų13659%0.58873%0.725SS**Hα-helixtrans-104.1-34.4177-179.10000110.6M905 S910M905-V908 WeakPolarHBondContact O-CB 3.37Å; M905-V908 PolarHBondContact O-N 2.96Å; V908-S910 VanDerWaalsContact C-N 3.34Å
909E54.1Low47.7Very low127 Ų127137.3 Ų137.359%0.59374%0.735SS**Hα-helixtrans-69.1-34.4173.6-70.5170.7156.400111M905 E911 A912M905-E909 PolarHBondContact O-N 3.35Å; E909-E911 PolarHBondContact O-N 2.93Å; E909-A912 PolarHBondContact O-N 3.5Å; E909-A912 VanDerWaalsContact O-N 3.08Å
910S47.3Very low47.2Very low82 Ų82132.9 Ų132.957%0.57374%0.735SS**THydrogen-bonded Turntrans-75.9-12.4178.743.60000116D906 V908D906-S910 PolarHBondContact O-OG 3.36Å; V908-S910 VanDerWaalsContact C-N 3.34Å
911E53Low47Very low165 Ų165128.1 Ų128.177%0.77173%0.727SS**THydrogen-bonded Turntrans-89-9.6165.5-74.8-168.4138.800112.6E909E909-E911 PolarHBondContact O-N 2.93Å
912A52Low46.7Very low66 Ų66126 Ų12655%0.54573%0.725SS.*THydrogen-bonded Turntrans-100.4-14.7-168.400000115.4E909 L914E909-A912 PolarHBondContact O-N 3.5Å; E909-A912 VanDerWaalsContact O-N 3.08Å; A912-L914 PolarHBondContact O-N 3.48Å
913E46.6Very low46.6Very low173 Ų173123.9 Ų123.981%0.80872%0.717SS**THydrogen-bonded Turntrans-90.18.1-171-67.6-171.2153.600115.5
914L43.8Very low46.2Very low178 Ų178128.9 Ų128.993%0.93273%0.731SS**THydrogen-bonded Turntrans-112.814.7178-90.8173.8000115.4A912A912-L914 PolarHBondContact O-N 3.48Å
915S48.6Very low46Very low118 Ų118130.2 Ų130.283%0.82573%0.733SS**SBendtrans-151.2101.9165.4-163.20000111.4
916G47.3Very low45.4Very low81 Ų81127.9 Ų127.984%0.83574%0.74SS**  trans148.571.3174.100000115.9
917S36.1Very low44.9Very low110 Ų110129.7 Ų129.777%0.76975%0.75SS**  trans-140.261.816370.60000112.2
918D43.6Very low44.5Very low155 Ų155131.3 Ų131.383%0.82976%0.755SS**  trans-60.4126.4144.9168.518.1000107.8G920D918-G920 PolarHBondContact OD1-N 2.96Å
919I40.3Very low43.6Very low153 Ų153134.1 Ų134.179%0.78577%0.766SS**  trans-143.168.6171.1-170.958.5000110.4S921I919-S921 PolarHBondContact O-N 3.42Å
920G38.3Very low42.9Very low67 Ų67133.5 Ų133.569%0.69178%0.776SS**  trans-57.6132.6168.900000113.8D918D918-G920 PolarHBondContact OD1-N 2.96Å
921S35.6Very low42.5Very low105 Ų105138.6 Ų138.673%0.73479%0.791SS**  trans-145.2120.2162.2-1610000105I919I919-S921 PolarHBondContact O-N 3.42Å
922D45.4Very low41.7Very low149 Ų149141.2 Ų141.280%0.79780%0.795SS**  60.7105.955-15565.6000108.1
923D37.5Very low41Very low138 Ų138146.8 Ų146.874%0.73881%0.81SS**  cis-152.4154.610-161.39.9000105
924E43.5Very low40.6Very low163 Ų163147.1 Ų147.176%0.76281%0.811SS**  -175.3169.752.6-168.7171.4-148.300108.4
925E43.4Very low40.6Very low191 Ų191147 Ų14789%0.89381%0.806SS**  trans-21.3143.6179.7-53.7178.4162.200120
926G39.7Very low40.3Very low74 Ų74148.9 Ų148.976%0.76380%0.802SS**  cis171.6-171.34.100000113.8
927D39.6Very low40Very low149 Ų149152.5 Ų152.580%0.79780%0.801SS**  trans60.1109.9176.6-84.4-30.9000121.2
928R43.5Very low40.5Very low217 Ų217153.8 Ų153.882%0.81980%0.799SS**  trans28.5130.7132.5-55.7177.6178.7-145-3.7119.1
929D35.9Very low41.2Very low156 Ų156154.3 Ų154.383%0.83480%0.796SS**  -158.7169.967.7-102.4-30.3000113.1E931D929-E931 PolarHBondContact O-N 3.04Å
930S40.4Very low42.4Very low113 Ų113155.7 Ų155.779%0.7980%0.799SS**  trans-91.893.5176.360.90000112.2
931E37.5Very low43.9Very low190 Ų190159.5 Ų159.589%0.88880%0.803SS**  trans-75.2144.8166.4-168.3151.3-133.900110.3D929D929-E931 PolarHBondContact O-N 3.04Å
932Y37.6Very low45.6Very low219 Ų219158.4 Ų158.486%0.85979%0.793SS**  trans-71.8128.9172.2-92-122.1000108.4E934Y932-E934 PolarHBondContact O-N 3.42Å
933E36.6Very low47.1Very low183 Ų183154.2 Ų154.286%0.85578%0.776SS**  trans-66.988160.2-71.4-176.6149.800108.8E935E933-E935 PolarHBondContact O-N 2.84Å
934E38.4Very low49.3Very low180 Ų180153.9 Ų153.984%0.84177%0.774SS**  trans-65.682151.5-175.4160.6-132.300106.2Y932 E936Y932-E934 PolarHBondContact O-N 3.42Å; E934-E936 PolarHBondContact O-N 3.28Å
935E43.6Very low51.3Low176 Ų176152.5 Ų152.582%0.82277%0.768SS**  trans-55.196.6167.4-85.4-163.8139.400107.2E933 L937E933-E935 PolarHBondContact O-N 2.84Å; E935-L937 PolarHBondContact O-N 2.79Å
936E42.5Very low53.4Low157 Ų157148.9 Ų148.973%0.73475%0.751SS**  trans-58.6126.3-168.9-166.5172.4-144.300108.1E934 L938E934-E936 PolarHBondContact O-N 3.28Å; E936-L938 PolarHBondContact O-N 3.4Å
937L41.8Very low55.8Low157 Ų157149.5 Ų149.582%0.82274%0.736SS**  trans-78.257.1-175.2-147.6173.4000110.3E935 E939E935-L937 PolarHBondContact O-N 2.79Å; L937-E939 HydrophobicContact CD2-CB 4.15Å; L937-E939 PolarHBondContact O-N 2.82Å
938L45.4Very low58.1Low138 Ų138148 Ų14872%0.72372%0.724SS**  trans-72.875.7172.4-155.877.2000107.5E936 E940E936-L938 PolarHBondContact O-N 3.4Å; L938-E940 PolarHBondContact O-N 2.82Å
939E58.2Low60.5Low165 Ų165141.9 Ų141.977%0.77171%0.708SS**  trans-6191170.7-173.8168.8-138.200107.7L937 L941L937-E939 HydrophobicContact CD2-CB 4.15Å; L937-E939 PolarHBondContact O-N 2.82Å; E939-L941 PolarHBondContact O-N 3.5Å
940E66.4Low63.1Low182 Ų182139.1 Ų139.185%0.8569%0.69SS**  trans-52.6109.5-168.4-171174.9-160.400110L938L938-E940 PolarHBondContact O-N 2.82Å
941L69.3Low65.6Low148 Ų148137.7 Ų137.778%0.77568%0.676SS**PPolyproline II helixtrans-66.9135.5-177.6-64.8177.6000108.3E939 S943E939-L941 PolarHBondContact O-N 3.5Å; L941-S943 PolarHBondContact O-N 3.13Å
942P70.6Confident68.3Low81 Ų81132.1 Ų132.153%0.52665%0.653SS.*PPolyproline II helixtrans-50133.4176.4-27.334.4000110.6
943S78Confident71Confident62 Ų62129.6 Ų129.643%0.43465%0.646SS.*PPolyproline II helixtrans-57.5151.7-174.673.50000110.9L941 E945 E946 L947L941-S943 PolarHBondContact O-N 3.13Å; S943-E945 PolarHBondContact O-N 3Å; S943-E945 VanDerWaalsContact O-N 3.15Å; S943-E946 CarbonylContact O-C 3.6Å; S943-E946 WeakPolarHBondContact O-CA 3.49Å; S943-E946 PolarHBondContact O-N 2.88Å; S943-E946 PolarHBondContact OG-N 2.93Å; S943-E946 VanDerWaalsContact OG-N 3.13Å; S943-L947 PolarHBondContact O-N 2.97Å
944D83.6Confident73.7Confident130 Ų130126.1 Ų126.170%0.69563%0.632SS**Hα-helixtrans-61.8-27.8-178.5-161.545.4000111.5L947 Q948D944-L947 PolarHBondContact O-N 3.35Å; D944-Q948 VanDerWaalsContact O-CB 3.22Å; D944-Q948 WeakPolarHBondContact O-CB 3.31Å; D944-Q948 PolarHBondContact O-N 3.15Å
945E86Confident76.4Confident135 Ų135122.1 Ų122.163%0.63161%0.613SS**Hα-helixtrans-67-43.9169.3-175.4-179.2179.800112.7S943 L947 Q948 N949S943-E945 PolarHBondContact O-N 3Å; S943-E945 VanDerWaalsContact O-N 3.15Å; E945-L947 VanDerWaalsContact C-N 3.31Å; E945-L947 PolarHBondContact O-N 3.12Å; E945-Q948 PolarHBondContact O-N 2.92Å; E945-N949 VanDerWaalsContact O-CB 3.28Å; E945-N949 WeakPolarHBondContact O-CB 3.46Å; E945-N949 PolarHBondContact O-N 3.43Å; E945-N949 PolarHBondContact O-ND2 2.86Å
946E86.8Confident78.9Confident114 Ų114118.6 Ų118.653%0.53360%0.598SS.*Hα-helixtrans-64.3-37.3173-78.6-158.714800111.9S943 N949 Q950S943-E946 CarbonylContact O-C 3.6Å; S943-E946 WeakPolarHBondContact O-CA 3.49Å; S943-E946 PolarHBondContact O-N 2.88Å; S943-E946 PolarHBondContact OG-N 2.93Å; S943-E946 VanDerWaalsContact OG-N 3.13Å; E946-N949 PolarHBondContact O-N 3.27Å; E946-Q950 WeakPolarHBondContact O-CB 3.49Å; E946-Q950 VanDerWaalsContact O-CG 3.25Å; E946-Q950 WeakPolarHBondContact O-CG 3.49Å; E946-Q950 PolarHBondContact O-N 3.47Å; E946-Q950 PolarHBondContact O-NE2 2.94Å
947L89.4Confident81.4Confident87 Ų87117.4 Ų117.446%0.45559%0.59SS.*Hα-helixtrans-66.3-46.1175.6-177.960.4000110.9S943 D944 E945 N949 Q950 V951S943-L947 PolarHBondContact O-N 2.97Å; D944-L947 PolarHBondContact O-N 3.35Å; E945-L947 VanDerWaalsContact C-N 3.31Å; E945-L947 PolarHBondContact O-N 3.12Å; L947-N949 VanDerWaalsContact C-N 3.34Å; L947-N949 PolarHBondContact O-N 2.92Å; L947-Q950 PolarHBondContact O-N 3.26Å; L947-V951 WeakPolarHBondContact O-CG2 3.48Å; L947-V951 PolarHBondContact O-N 2.84Å
948Q88.1Confident84Confident118 Ų118115.1 Ų115.155%0.55158%0.576SS**Hα-helixtrans-61.1-42.4175-168.8-177.830.900111.1D944 E945 V951 N952D944-Q948 VanDerWaalsContact O-CB 3.22Å; D944-Q948 WeakPolarHBondContact O-CB 3.31Å; D944-Q948 PolarHBondContact O-N 3.15Å; E945-Q948 PolarHBondContact O-N 2.92Å; Q948-V951 PolarHBondContact O-N 3.45Å; Q948-N952 VanDerWaalsContact O-CB 3.32Å; Q948-N952 WeakPolarHBondContact O-CB 3.37Å; Q948-N952 PolarHBondContact O-N 2.92Å; Q948-N952 PolarHBondContact O-ND2 3.31Å
949N93.3Very high86.4Confident89 Ų89111.5 Ų111.548%0.47656%0.556SS.*Hα-helixtrans-64.3-38.4174.1-83-57.7000112.6E945 E946 L947 K953E945-N949 VanDerWaalsContact O-CB 3.28Å; E945-N949 WeakPolarHBondContact O-CB 3.46Å; E945-N949 PolarHBondContact O-N 3.43Å; E945-N949 PolarHBondContact O-ND2 2.86Å; E946-N949 PolarHBondContact O-N 3.27Å; L947-N949 VanDerWaalsContact C-N 3.34Å; L947-N949 PolarHBondContact O-N 2.92Å; N949-K953 WeakPolarHBondContact O-CB 3.49Å; N949-K953 PolarHBondContact O-N 3.38Å
950Q91.6Very high88.2Confident98 Ų98109.4 Ų109.446%0.45855%0.55SS..Hα-helixtrans-65.9-42.1172.5-75.6176.366.900112.1E946 L947 K953 I954E946-Q950 WeakPolarHBondContact O-CB 3.49Å; E946-Q950 VanDerWaalsContact O-CG 3.25Å; E946-Q950 WeakPolarHBondContact O-CG 3.49Å; E946-Q950 PolarHBondContact O-N 3.47Å; E946-Q950 PolarHBondContact O-NE2 2.94Å; L947-Q950 PolarHBondContact O-N 3.26Å; Q950-K953 PolarHBondContact O-N 2.93Å; Q950-I954 VanDerWaalsContact O-CG1 3.27Å; Q950-I954 WeakPolarHBondContact O-CG1 3.39Å; Q950-I954 PolarHBondContact O-N 3.02Å
951V93.8Very high89.6Confident83 Ų83104 Ų10450%0.50353%0.527SS..Hα-helixtrans-63.7-47175.3169.50000110.9L947 Q948 K953 I954 H955L947-V951 WeakPolarHBondContact O-CG2 3.48Å; L947-V951 PolarHBondContact O-N 2.84Å; Q948-V951 PolarHBondContact O-N 3.45Å; V951-K953 VanDerWaalsContact C-N 3.32Å; V951-K953 PolarHBondContact O-N 2.71Å; V951-I954 PolarHBondContact O-N 3.23Å; V951-H955 WeakPolarHBondContact O-CB 3.48Å; V951-H955 PolarHBondContact O-N 3.33Å
952N92.5Very high90.8Very high73 Ų7399.3 Ų99.339%0.3950%0.502SS..Hα-helixtrans-58.9-42.3175.1-74.3-19.1000111.4Q948 H955 M956Q948-N952 VanDerWaalsContact O-CB 3.32Å; Q948-N952 WeakPolarHBondContact O-CB 3.37Å; Q948-N952 PolarHBondContact O-N 2.92Å; Q948-N952 PolarHBondContact O-ND2 3.31Å; N952-H955 PolarHBondContact O-N 3.02Å; N952-M956 WeakPolarHBondContact O-CB 3.24Å; N952-M956 WeakPolarHBondContact O-CG 3.39Å; N952-M956 PolarHBondContact O-N 2.8Å
953K95.2Very high92Very high166 Ų16698.2 Ų98.272%0.72249%0.492SS*.Hα-helixtrans-65.9-36.8176.4-170.1171.3-170.4166.20112.9N949 Q950 V951 K957N949-K953 WeakPolarHBondContact O-CB 3.49Å; N949-K953 PolarHBondContact O-N 3.38Å; Q950-K953 PolarHBondContact O-N 2.93Å; V951-K953 VanDerWaalsContact C-N 3.32Å; V951-K953 PolarHBondContact O-N 2.71Å; K953-K957 VanDerWaalsContact O-CB 3.26Å; K953-K957 WeakPolarHBondContact O-CB 3.42Å; K953-K957 PolarHBondContact O-N 2.89Å; K953-K957 VanDerWaalsContact O-N 3.13Å
954I94.2Very high92.8Very high110 Ų110101.3 Ų101.356%0.56450%0.498SS*.Hα-helixtrans-68.1-42172.1-70.5163.8000110.5Q950 V951 K957 Q958Q950-I954 VanDerWaalsContact O-CG1 3.27Å; Q950-I954 WeakPolarHBondContact O-CG1 3.39Å; Q950-I954 PolarHBondContact O-N 3.02Å; V951-I954 PolarHBondContact O-N 3.23Å; I954-K957 PolarHBondContact O-N 2.79Å; I954-Q958 WeakPolarHBondContact O-CB 3.29Å; I954-Q958 PolarHBondContact O-N 2.98Å
955H94.4Very high93.3Very high96 Ų96101.1 Ų101.144%0.44449%0.487SS..Hα-helixtrans-65.7-50-179.9-176.947.8000112.1V951 N952 K957 Q958 I959V951-H955 WeakPolarHBondContact O-CB 3.48Å; V951-H955 PolarHBondContact O-N 3.33Å; N952-H955 PolarHBondContact O-N 3.02Å; H955-K957 VanDerWaalsContact C-N 3.31Å; H955-K957 PolarHBondContact O-N 3.14Å; H955-Q958 WeakPolarHBondContact O-CB 3.31Å; H955-Q958 PolarHBondContact O-N 3.47Å; H955-Q958 VanDerWaalsContact O-N 3.08Å; H955-I959 WeakPolarHBondContact O-CG1 3.3Å; H955-I959 PolarHBondContact O-N 2.87Å
956M95.1Very high93.6Very high101 Ų101101 Ų10150%0.49848%0.481SS..Hα-helixtrans-59.8-41.3174.5-69.4-58.4113.300111.7N952 Q958 I959 L960N952-M956 WeakPolarHBondContact O-CB 3.24Å; N952-M956 WeakPolarHBondContact O-CG 3.39Å; N952-M956 PolarHBondContact O-N 2.8Å; M956-Q958 PolarHBondContact O-N 3.42Å; M956-I959 HydrophobicContact CE-CD1 3.73Å; M956-I959 PolarHBondContact O-N 2.92Å; M956-I959 HydrophobicContact SD-CD1 4.41Å; M956-L960 WeakPolarHBondContact O-CG 3.49Å; M956-L960 PolarHBondContact O-N 2.86Å
957K96.1Very high93.8Very high132 Ų132100.5 Ų100.557%0.57448%0.482SS*.Hα-helixtrans-61.3-43.4172.9-177-169.8170.4-167.20111.7K953 I954 H955 L960 D961K953-K957 VanDerWaalsContact O-CB 3.26Å; K953-K957 WeakPolarHBondContact O-CB 3.42Å; K953-K957 PolarHBondContact O-N 2.89Å; K953-K957 VanDerWaalsContact O-N 3.13Å; I954-K957 PolarHBondContact O-N 2.79Å; H955-K957 VanDerWaalsContact C-N 3.31Å; H955-K957 PolarHBondContact O-N 3.14Å; K957-L960 PolarHBondContact O-N 3.07Å; K957-D961 WeakPolarHBondContact CE-OD2 3.25Å; K957-D961 WeakPolarHBondContact O-CB 3.44Å; K957-D961 PolarHBondContact O-N 3.09Å
958Q96.1Very high93.6Very high110 Ų110103.1 Ų103.151%0.51449%0.485SS..Hα-helixtrans-62.8-42.2178.6-178.5175.1-1900111.5I954 H955 M956 D961 D962I954-Q958 WeakPolarHBondContact O-CB 3.29Å; I954-Q958 PolarHBondContact O-N 2.98Å; H955-Q958 WeakPolarHBondContact O-CB 3.31Å; H955-Q958 PolarHBondContact O-N 3.47Å; H955-Q958 VanDerWaalsContact O-N 3.08Å; M956-Q958 PolarHBondContact O-N 3.42Å; Q958-D961 PolarHBondContact O-N 3.22Å; Q958-D962 WeakPolarHBondContact O-CB 3.18Å; Q958-D962 PolarHBondContact O-N 3.32Å
959I96.4Very high93.5Very high61 Ų61102.5 Ų102.531%0.31349%0.485SS..Hα-helixtrans-58-51.5173.8-68.9168.1000110.2H955 M956 D961 D962 D963H955-I959 WeakPolarHBondContact O-CG1 3.3Å; H955-I959 PolarHBondContact O-N 2.87Å; M956-I959 HydrophobicContact CE-CD1 3.73Å; M956-I959 PolarHBondContact O-N 2.92Å; M956-I959 HydrophobicContact SD-CD1 4.41Å; I959-D961 VanDerWaalsContact C-N 3.31Å; I959-D961 PolarHBondContact O-N 2.95Å; I959-D962 CarbonylContact O-C 3.59Å; I959-D962 PolarHBondContact O-N 2.86Å; I959-D963 WeakPolarHBondContact CG2-OD2 3.38Å; I959-D963 PolarHBondContact O-N 3.44Å
960L95.6Very high93.3Very high121 Ų121103.8 Ų103.863%0.63448%0.484SS*.Hα-helixtrans-60.6-38177.8-68.7170.8000112.9M956 K957 K964M956-L960 WeakPolarHBondContact O-CG 3.49Å; M956-L960 PolarHBondContact O-N 2.86Å; K957-L960 PolarHBondContact O-N 3.07Å; L960-K964 WeakPolarHBondContact O-CB 3.31Å; L960-K964 PolarHBondContact O-N 2.94Å
961D95.9Very high92.6Very high70 Ų70102.6 Ų102.637%0.37448%0.479SS..Hα-helixtrans-70.4-31175.1-89.1-32.4000112.3K957 Q958 I959 R965K957-D961 WeakPolarHBondContact CE-OD2 3.25Å; K957-D961 WeakPolarHBondContact O-CB 3.44Å; K957-D961 PolarHBondContact O-N 3.09Å; Q958-D961 PolarHBondContact O-N 3.22Å; I959-D961 VanDerWaalsContact C-N 3.31Å; I959-D961 PolarHBondContact O-N 2.95Å; D961-R965 WeakPolarHBondContact O-CG 3.35Å; D961-R965 VanDerWaalsContact O-CZ 3.25Å; D961-R965 PolarHBondContact O-N 2.77Å; D961-R965 PolarHBondContact O-NH1 3.39Å
962D94.6Very high92Very high48 Ų48103.5 Ų103.526%0.25748%0.481SS..Hα-helixtrans-76.9-39.5173-93.3-51.1000112.7Q958 I959 K964 R965 R966Q958-D962 WeakPolarHBondContact O-CB 3.18Å; Q958-D962 PolarHBondContact O-N 3.32Å; I959-D962 CarbonylContact O-C 3.59Å; I959-D962 PolarHBondContact O-N 2.86Å; D962-K964 VanDerWaalsContact C-N 3.34Å; D962-R965 CarbonylContact O-C 3.6Å; D962-R965 WeakPolarHBondContact O-CA 3.5Å; D962-R965 WeakPolarHBondContact O-CB 3.5Å; D962-R965 PolarHBondContact O-N 3.09Å; D962-R965 VanDerWaalsContact O-N 3.09Å; D962-R965 IonicContact OD1-CZ 2.74Å; D962-R965 IonicContact OD1-NE 2.68Å; D962-R965 PolarHBondContact OD1-NE 2.91Å; D962-R965 IonicContact OD1-NH2 3.57Å; D962-R965 PolarHBondContact OD1-NH2 3.03Å; D962-R965 IonicContact OD2-CZ 3.49Å; D962-R965 IonicContact OD2-NH2 2.63Å; D962-R965 PolarHBondContact OD2-NH2 2.85Å; D962-R966 VanDerWaalsContact O-CG 3.3Å; D962-R966 WeakPolarHBondContact O-CG 3.14Å; D962-R966 PolarHBondContact O-N 3.17Å
963D95.9Very high91.4Very high59 Ų59106.7 Ų106.732%0.31649%0.487SS..Hα-helixtrans-68.4-35.4173.7-71.9-33000111.2I959 R965 R966 L967I959-D963 WeakPolarHBondContact CG2-OD2 3.38Å; I959-D963 PolarHBondContact O-N 3.44Å; D963-R965 VanDerWaalsContact C-N 3.28Å; D963-R965 PolarHBondContact O-N 3.15Å; D963-R966 PolarHBondContact O-N 2.92Å; D963-R966 WeakPolarHBondContact OD1-CD 3.47Å; D963-R966 IonicContact OD1-CZ 2.69Å; D963-R966 IonicContact OD1-NE 3.18Å; D963-R966 IonicContact OD1-NH1 3.8Å; D963-R966 PolarHBondContact OD1-NH1 3.19Å; D963-L967 WeakPolarHBondContact O-CB 3.4Å; D963-L967 VanDerWaalsContact O-CG 3.28Å; D963-L967 WeakPolarHBondContact O-CG 3.49Å; D963-L967 PolarHBondContact O-N 3.08Å
964K94.5Very high90.6Very high126 Ų126107.2 Ų107.255%0.54849%0.486SS..Hα-helixtrans-65.8-28.2168.7-166.3162.8-168.8158.80113.2L960 D962 R968L960-K964 WeakPolarHBondContact O-CB 3.31Å; L960-K964 PolarHBondContact O-N 2.94Å; D962-K964 VanDerWaalsContact C-N 3.34Å; K964-R968 PolarHBondContact O-N 2.86Å
965R94.1Very high89.9Confident126 Ų126105.3 Ų105.348%0.47548%0.477SS..Hα-helixtrans-72.9-44.4168.7-78.2-178.4-71.8-8719.7111.7D961 D962 D963 R968 L969D961-R965 WeakPolarHBondContact O-CG 3.35Å; D961-R965 VanDerWaalsContact O-CZ 3.25Å; D961-R965 PolarHBondContact O-N 2.77Å; D961-R965 PolarHBondContact O-NH1 3.39Å; D962-R965 CarbonylContact O-C 3.6Å; D962-R965 WeakPolarHBondContact O-CA 3.5Å; D962-R965 WeakPolarHBondContact O-CB 3.5Å; D962-R965 PolarHBondContact O-N 3.09Å; D962-R965 VanDerWaalsContact O-N 3.09Å; D962-R965 IonicContact OD1-CZ 2.74Å; D962-R965 IonicContact OD1-NE 2.68Å; D962-R965 PolarHBondContact OD1-NE 2.91Å; D962-R965 IonicContact OD1-NH2 3.57Å; D962-R965 PolarHBondContact OD1-NH2 3.03Å; D962-R965 IonicContact OD2-CZ 3.49Å; D962-R965 IonicContact OD2-NH2 2.63Å; D962-R965 PolarHBondContact OD2-NH2 2.85Å; D963-R965 VanDerWaalsContact C-N 3.28Å; D963-R965 PolarHBondContact O-N 3.15Å; R965-R968 PolarHBondContact O-N 3.39Å; R965-L969 WeakPolarHBondContact O-CB 3.39Å; R965-L969 PolarHBondContact O-N 3.42Å
966R92.3Very high88.3Confident132 Ų132104.8 Ų104.850%0.49849%0.489SS..Hα-helixtrans-62-47178-71.1158.6174174.4-1.8111.1D962 D963 R968 L969 Y970D962-R966 VanDerWaalsContact O-CG 3.3Å; D962-R966 WeakPolarHBondContact O-CG 3.14Å; D962-R966 PolarHBondContact O-N 3.17Å; D963-R966 PolarHBondContact O-N 2.92Å; D963-R966 WeakPolarHBondContact OD1-CD 3.47Å; D963-R966 IonicContact OD1-CZ 2.69Å; D963-R966 IonicContact OD1-NE 3.18Å; D963-R966 IonicContact OD1-NH1 3.8Å; D963-R966 PolarHBondContact OD1-NH1 3.19Å; R966-R968 VanDerWaalsContact C-N 3.34Å; R966-R968 PolarHBondContact O-N 3.11Å; R966-L969 CarbonylContact O-C 3.59Å; R966-L969 WeakPolarHBondContact O-CA 3.33Å; R966-L969 WeakPolarHBondContact O-CB 3.45Å; R966-L969 PolarHBondContact O-N 2.91Å; R966-Y970 HydrophobicContact CB-CD2 4.46Å; R966-Y970 HydrophobicContact CB-CE2 4.05Å; R966-Y970 WeakPolarHBondContact O-CD2 3.32Å; R966-Y970 PolarHBondContact O-N 2.9Å
967L90Very high86.4Confident105 Ų105107.8 Ų107.855%0.5551%0.507SS..Hα-helixtrans-56.8-44.8175.1-74.4169.5000111.6D963 Y970 Q971D963-L967 WeakPolarHBondContact O-CB 3.4Å; D963-L967 VanDerWaalsContact O-CG 3.28Å; D963-L967 WeakPolarHBondContact O-CG 3.49Å; D963-L967 PolarHBondContact O-N 3.08Å; L967-Y970 PolarHBondContact O-N 3.49Å; L967-Q971 WeakPolarHBondContact O-CB 3.35Å; L967-Q971 VanDerWaalsContact O-CG 3.24Å; L967-Q971 WeakPolarHBondContact O-CG 3.43Å; L967-Q971 PolarHBondContact O-N 3.29Å
968R84.8Confident84.3Confident141 Ų141103.7 Ų103.753%0.53250%0.502SS..Hα-helixtrans-61.9-44.7171-77.4178.9174.8156.6-1.9112.9K964 R965 R966 Y970 Q971 D972K964-R968 PolarHBondContact O-N 2.86Å; R965-R968 PolarHBondContact O-N 3.39Å; R966-R968 VanDerWaalsContact C-N 3.34Å; R966-R968 PolarHBondContact O-N 3.11Å; R968-Y970 PolarHBondContact O-N 3.37Å; R968-Y970 VanDerWaalsContact O-N 3.14Å; R968-Q971 PolarHBondContact O-N 2.91Å; R968-D972 WeakPolarHBondContact O-CB 3.24Å; R968-D972 PolarHBondContact O-N 3.34Å
969L87.4Confident82.3Confident105 Ų105103.3 Ų103.355%0.5550%0.503SS..Hα-helixtrans-65.5-14.1176.5-160.578.5000113.6R965 R966 R973R965-L969 WeakPolarHBondContact O-CB 3.39Å; R965-L969 PolarHBondContact O-N 3.42Å; R966-L969 CarbonylContact O-C 3.59Å; R966-L969 WeakPolarHBondContact O-CA 3.33Å; R966-L969 WeakPolarHBondContact O-CB 3.45Å; R966-L969 PolarHBondContact O-N 2.91Å; L969-R973 WeakPolarHBondContact O-CB 3.45Å; L969-R973 PolarHBondContact O-NE 3.09Å; L969-R973 PolarHBondContact O-NH2 3.37Å
970Y88.4Confident80.2Confident117 Ų117103.4 Ų103.446%0.45950%0.504SS..Hα-helixtrans-93-41.1168.3-63.6-48.3000111R966 L967 R968 R973 Y974R966-Y970 HydrophobicContact CB-CD2 4.46Å; R966-Y970 HydrophobicContact CB-CE2 4.05Å; R966-Y970 WeakPolarHBondContact O-CD2 3.32Å; R966-Y970 PolarHBondContact O-N 2.9Å; L967-Y970 PolarHBondContact O-N 3.49Å; R968-Y970 PolarHBondContact O-N 3.37Å; R968-Y970 VanDerWaalsContact O-N 3.14Å; Y970-R973 PolarHBondContact O-N 3.39Å; Y970-Y974 HydrophobicContact CD1-CD2 4.39Å; Y970-Y974 AromaticContact CD1-CE2 3.8Å; Y970-Y974 HydrophobicContact CD1-CE2 3.8Å; Y970-Y974 HydrophobicContact CG-CE2 4.44Å; Y970-Y974 WeakPolarHBondContact O-CB 3.45Å; Y970-Y974 VanDerWaalsContact O-CD2 3.27Å; Y970-Y974 WeakPolarHBondContact O-CD2 3.36Å; Y970-Y974 PolarHBondContact O-N 2.89Å
971Q77.8Confident78Confident72 Ų72104.7 Ų104.734%0.33651%0.507SS..Hα-helixtrans-58-54.4174.4-73164.6-23.100111.6L967 R968 R973 Y974 L975 L980L967-Q971 WeakPolarHBondContact O-CB 3.35Å; L967-Q971 VanDerWaalsContact O-CG 3.24Å; L967-Q971 WeakPolarHBondContact O-CG 3.43Å; L967-Q971 PolarHBondContact O-N 3.29Å; R968-Q971 PolarHBondContact O-N 2.91Å; Q971-R973 PolarHBondContact O-N 3.22Å; Q971-Y974 PolarHBondContact O-N 3.34Å; Q971-L975 HydrophobicContact CB-CD1 4.24Å; Q971-L975 HydrophobicContact CG-CD1 4.25Å; Q971-L975 WeakPolarHBondContact O-CB 3.44Å; Q971-L975 PolarHBondContact O-N 3.41Å; Q971-L980 HydrophobicContact CB-CD1 4.02Å; Q971-L980 HydrophobicContact CB-CD2 4.11Å; Q971-L980 HydrophobicContact CG-CD1 4.18Å
972D79.9Confident75.8Confident103 Ų103105.9 Ų105.955%0.55152%0.52SS*.Hα-helixtrans-60.1-8.6178.1-60.8-15.1000114.1R968 L980R968-D972 WeakPolarHBondContact O-CB 3.24Å; R968-D972 PolarHBondContact O-N 3.34Å; D972-L980 WeakPolarHBondContact OD1-CD2 3.23Å
973R79.9Confident73.7Confident140 Ų140110.8 Ų110.853%0.52855%0.547SS..Hα-helixtrans-122-25.7-171.6174.2161.340.9163.7-0.5114.1L969 Y970 Q971L969-R973 WeakPolarHBondContact O-CB 3.45Å; L969-R973 PolarHBondContact O-NE 3.09Å; L969-R973 PolarHBondContact O-NH2 3.37Å; Y970-R973 PolarHBondContact O-N 3.39Å; Q971-R973 PolarHBondContact O-N 3.22Å
974Y78.6Confident71.9Confident176 Ų176109.7 Ų109.769%0.6955%0.55SS*.Hα-helixtrans-111.2-20.9178-63.5-61.5000113.2Y970 Q971Y970-Y974 HydrophobicContact CD1-CD2 4.39Å; Y970-Y974 AromaticContact CD1-CE2 3.8Å; Y970-Y974 HydrophobicContact CD1-CE2 3.8Å; Y970-Y974 HydrophobicContact CG-CE2 4.44Å; Y970-Y974 WeakPolarHBondContact O-CB 3.45Å; Y970-Y974 VanDerWaalsContact O-CD2 3.27Å; Y970-Y974 WeakPolarHBondContact O-CD2 3.36Å; Y970-Y974 PolarHBondContact O-N 2.89Å; Q971-Y974 PolarHBondContact O-N 3.34Å
975L79.2Confident69.7Low71 Ų71110.1 Ų110.137%0.37257%0.565SS.*SBendtrans-103.6142.3167.4-61.192.9000109.3Q971 D979Q971-L975 HydrophobicContact CB-CD1 4.24Å; Q971-L975 HydrophobicContact CG-CD1 4.25Å; Q971-L975 WeakPolarHBondContact O-CB 3.44Å; Q971-L975 PolarHBondContact O-N 3.41Å; L975-D979 HydrophobicContact CB-CB 4.4Å; L975-D979 HydrophobicContact CD2-CB 4.12Å
976A61.2Low67.4Low84 Ų84107.3 Ų107.369%0.69458%0.575SS**  trans-76.2150.8179.300000111.8G978 D979A976-G978 VanDerWaalsContact C-N 3.3Å; A976-G978 PolarHBondContact O-N 2.8Å; A976-D979 PolarHBondContact O-N 3.2Å; A976-D979 VanDerWaalsContact O-N 3.14Å
977D56.4Low65.7Low165 Ų165112.6 Ų112.688%0.88260%0.595SS**THydrogen-bonded Turntrans-52.283.8175.1-87.3-34.9000112.5
978G50.8Low63.8Low45 Ų45111.4 Ų111.446%0.46460%0.6SS.*THydrogen-bonded Turntrans164.5-44.5-171.800000113.4A976 H981A976-G978 VanDerWaalsContact C-N 3.3Å; A976-G978 PolarHBondContact O-N 2.8Å; G978-H981 PolarHBondContact O-N 2.86Å
979D53.7Low62.6Low102 Ų102114.2 Ų114.255%0.54561%0.611SS.*G310 helixtrans-73-38.4-174.5-151.37.5000111.9L975 A976 H981 S982L975-D979 HydrophobicContact CB-CB 4.4Å; L975-D979 HydrophobicContact CD2-CB 4.12Å; A976-D979 PolarHBondContact O-N 3.2Å; A976-D979 VanDerWaalsContact O-N 3.14Å; D979-H981 PolarHBondContact O-N 3.05Å; D979-S982 WeakPolarHBondContact O-CB 3.38Å; D979-S982 PolarHBondContact O-N 2.87Å; D979-S982 VanDerWaalsContact O-N 3.14Å; D979-S982 PolarHBondContact O-OG 2.94Å
980L52.3Low61.2Low64 Ų64120 Ų12034%0.33563%0.625SS.*G310 helixtrans-66.61.9175.7-157.764.1000114.4Q971 D972Q971-L980 HydrophobicContact CB-CD1 4.02Å; Q971-L980 HydrophobicContact CB-CD2 4.11Å; Q971-L980 HydrophobicContact CG-CD1 4.18Å; D972-L980 WeakPolarHBondContact OD1-CD2 3.23Å
981H49.9Very low59.3Low147 Ų147121.6 Ų121.668%0.68164%0.635SS**G310 helixtrans-102.87.6174.9-67.699.8000113.6G978 D979G978-H981 PolarHBondContact O-N 2.86Å; D979-H981 PolarHBondContact O-N 3.05Å
982S49.5Very low58.6Low95 Ų95129.2 Ų129.266%0.66466%0.661SS**SBendtrans-74.4-42.4166.354.40000112D979 G984D979-S982 WeakPolarHBondContact O-CB 3.38Å; D979-S982 PolarHBondContact O-N 2.87Å; D979-S982 VanDerWaalsContact O-N 3.14Å; D979-S982 PolarHBondContact O-OG 2.94Å; S982-G984 PolarHBondContact O-N 3.07Å
983D51.7Low57.2Low151 Ų151134.2 Ų134.281%0.80767%0.672SS**SBendtrans-73.849.1177.9-172.131.3000113.1
984G56.9Low56Low37 Ų37137.1 Ų137.138%0.38169%0.688SS.*SBendtrans-174131.9-179.300000111.8S982 G986S982-G984 PolarHBondContact O-N 3.07Å; G984-G986 PolarHBondContact O-N 3.27Å
985P48.4Very low54.4Low134 Ų134136.6 Ų136.687%0.8770%0.698SS**  trans-54.398.5-172.9-30.836.6000114.1R987P985-R987 PolarHBondContact O-N 3.16Å
986G46.3Very low52.7Low67 Ų67139.6 Ų139.669%0.69171%0.713SS**  trans-54.3121.2-175.600000110.8G984 A988G984-G986 PolarHBondContact O-N 3.27Å; G986-A988 PolarHBondContact O-N 3.19Å
987R56.9Low51.7Low244 Ų244143.2 Ų143.292%0.92172%0.72SS**  trans-75.857.4-173.8-70.1-173.4179.6-103.30.4112.9P985 R989P985-R987 PolarHBondContact O-N 3.16Å; R987-R989 PolarHBondContact O-N 3.41Å; R987-R989 VanDerWaalsContact O-N 3.09Å
988A49.3Very low51.1Low79 Ų79140.6 Ų140.665%0.65372%0.722SS**  trans-54.9112.417200000110.2G986 R990G986-A988 PolarHBondContact O-N 3.19Å; A988-R990 VanDerWaalsContact C-N 3.28Å; A988-R990 PolarHBondContact O-N 3.2Å
989R60.7Low50.9Low200 Ų200141.9 Ų141.976%0.75574%0.735SS**  trans-71.682177.8-76172.963.3-165.53.5110.3R987 F991R987-R989 PolarHBondContact O-N 3.41Å; R987-R989 VanDerWaalsContact O-N 3.09Å; R989-F991 VanDerWaalsContact C-N 3.3Å; R989-F991 HydrophobicContact CB-CD2 4.41Å; R989-F991 HydrophobicContact CB-CE2 4.37Å; R989-F991 WeakPolarHBondContact O-CD2 3.5Å; R989-F991 PolarHBondContact O-N 3.37Å
990R57.2Low49.8Very low226 Ų226146.7 Ų146.785%0.85375%0.752SS**  trans-6682.9176.3-64179.477.4177.87.3111.2A988 R992A988-R990 VanDerWaalsContact C-N 3.28Å; A988-R990 PolarHBondContact O-N 3.2Å; R990-R992 PolarHBondContact O-N 3.47Å; R990-R992 VanDerWaalsContact O-N 3.08Å
991F49Very low49.3Very low152 Ų152150.7 Ų150.767%0.66777%0.774SS**  trans-62105.6174-88-90.5000111R989R989-F991 VanDerWaalsContact C-N 3.3Å; R989-F991 HydrophobicContact CB-CD2 4.41Å; R989-F991 HydrophobicContact CB-CE2 4.37Å; R989-F991 WeakPolarHBondContact O-CD2 3.5Å; R989-F991 PolarHBondContact O-N 3.37Å
992R63.5Low48.7Very low232 Ų232147.5 Ų147.588%0.87578%0.78SS**  trans-90.7110.3170.8-62.3-166.472.2-178.92.8110.2R990 K994R990-R992 PolarHBondContact O-N 3.47Å; R990-R992 VanDerWaalsContact O-N 3.08Å; R992-K994 PolarHBondContact O-N 3.04Å
993W49.9Very low47.8Very low208 Ų208149.1 Ų149.179%0.78879%0.792SS**  trans-67.399.9173.9-76.866.4000110.3N995 I996W993-N995 PolarHBondContact O-N 2.78Å; W993-I996 HydrophobicContact CB-CD1 3.94Å; W993-I996 HydrophobicContact CB-CG1 4.27Å
994K54.1Low47.3Very low200 Ų200146.3 Ų146.387%0.8779%0.789SS**SBendtrans-82.265.2179.7-167.2-177.7-179.6-178.90111.1R992R992-K994 PolarHBondContact O-N 3.04Å
995N44.8Very low46.3Very low165 Ų165149 Ų14988%0.88281%0.808SS**  trans174.665.3159-88.3-15.9000110.2W993W993-N995 PolarHBondContact O-N 2.78Å
996I45.3Very low45.6Very low135 Ų135150.2 Ų150.269%0.69281%0.807SS**  trans-127.7117.8164.8-55.7179.8000106.8W993W993-I996 HydrophobicContact CB-CD1 3.94Å; W993-I996 HydrophobicContact CB-CG1 4.27Å
997D38.9Very low44.8Very low159 Ų159151 Ų15185%0.8582%0.815SS**  trans-69.4149.7175.5-101.7-42.7000111G999D997-G999 PolarHBondContact O-N 3.42Å
998A45Very low43.6Very low110 Ų110147.3 Ų147.391%0.90981%0.808SS**SBendtrans-73.2106.6177.600000110.8
999G45.8Very low42.7Very low73 Ų73152.7 Ų152.775%0.75382%0.82SS**  trans172.146.6179.800000118.4D997D997-G999 PolarHBondContact O-N 3.42Å
1000F29.5Very low41.2Very low202 Ų202149.2 Ų149.289%0.88682%0.816SS**  trans-149137158.7-161.8-101.3000111.7
1001D42.4Very low39.8Very low149 Ų149141.9 Ų141.980%0.79781%0.811SS**  trans-107136.9-170.3-60.8-41.1000112.5
1002G37Very low39.2Very low80 Ų80143.5 Ų143.583%0.82582%0.821SS**  trans85.2108.2142.200000119.7
1003S32.2Very low37.8Very low129 Ų129141.9 Ų141.990%0.90282%0.823SS**  -149161.5120.4-163.20000109.4
1004A40.8Very low37.2Very low91 Ų91140.8 Ų140.875%0.75283%0.826SS**  trans-124.4142.7178.400000111.3
1005A35Very low36.6Very low93 Ų93137.3 Ų137.377%0.76982%0.817SS**  trans-170.3100.6159.600000103.1
1006D34Very low36.4Very low160 Ų160137.9 Ų137.986%0.85682%0.82SS**  57128.376.4-74.5-2.9000113
1007G29.8Very low36.8Very low83 Ų83133.1 Ų133.186%0.85680%0.798SS**  trans149.163.3-160.600000108.1
1008E30.6Very low37.6Very low167 Ų167129 Ų12978%0.7878%0.776SS**  trans-78130.7175.7-64.9-178.4154.800109.2
1009E30.6Very low38.4Very low192 Ų192128.8 Ų128.890%0.89777%0.765SS**  trans-139.595.3159.8-172.5162.2-146.900105.4G1011E1009-G1011 PolarHBondContact O-N 3.33Å
1010D29.1Very low39Very low128 Ų128127.4 Ų127.468%0.68475%0.746SS**  trans-75.592.1-176-77.6-33000109.6
1011G29.3Very low41Very low72 Ų72120 Ų12074%0.74271%0.714SS**  trans-92.2100.9160.700000109.8E1009 E1013E1009-G1011 PolarHBondContact O-N 3.33Å; G1011-E1013 VanDerWaalsContact C-N 3.35Å; G1011-E1013 PolarHBondContact O-N 3.35Å
1012E35.2Very low42.2Very low186 Ų186117.1 Ų117.187%0.86970%0.698SS**  trans-79.775.2-179.5-65.1-172.7163.200111.6
1013E35.5Very low43.6Very low197 Ų197118.2 Ų118.292%0.92168%0.682SS**  trans-94.5107.4158.8-81.3-166.6144.300110G1011G1011-E1013 VanDerWaalsContact C-N 3.35Å; G1011-E1013 PolarHBondContact O-N 3.35Å
1014E35.8Very low45.3Very low185 Ų185117.5 Ų117.586%0.86466%0.659SS**  trans-88125.7-177.6-166.8162.7-132.100112
1015D41Very low46.6Very low127 Ų127119.3 Ų119.368%0.67965%0.647SS**  trans46.965.8162.2-80.4-16.9000119.9V1017D1015-V1017 HydrophobicContact CB-CG2 4.1Å; D1015-V1017 PolarHBondContact O-N 3.38Å; D1015-V1017 WeakPolarHBondContact OD1-CG2 3.35Å
1016D41.9Very low48.6Very low177 Ų177121.7 Ų121.795%0.94764%0.64SS**  trans-72.149.1152.3-163.126.6000111.6
1017V53.4Low50.6Low35 Ų35116.2 Ų116.221%0.21261%0.61CS.*  trans-90.1104.2176.4-176.50000108.3D1015 P1019 E1021 I1022D1015-V1017 HydrophobicContact CB-CG2 4.1Å; D1015-V1017 PolarHBondContact O-N 3.38Å; D1015-V1017 WeakPolarHBondContact OD1-CG2 3.35Å; V1017-P1019 VanDerWaalsContact O-N 3.13Å; V1017-E1021 HydrophobicContact CG1-CB 4.38Å; V1017-E1021 HydrophobicContact CG1-CG 4.35Å; V1017-I1022 HydrophobicContact CB-CD1 4.23Å; V1017-I1022 HydrophobicContact CB-CG1 4.08Å; V1017-I1022 HydrophobicContact CG1-CD1 4.32Å; V1017-I1022 HydrophobicContact CG1-CG1 3.61Å; V1017-I1022 WeakPolarHBondContact O-CD1 3.19Å
1018D56.3Low52.9Low74 Ų74119.2 Ų119.240%0.39660%0.596SS.*  trans-24.8115.6171.5163.527000111.2A1020 E1021 I1022 R1024D1018-A1020 PolarHBondContact O-N 3.2Å; D1018-A1020 VanDerWaalsContact OD1-CB 3.3Å; D1018-A1020 WeakPolarHBondContact OD1-CB 3.45Å; D1018-A1020 PolarHBondContact OD1-N 3.27Å; D1018-E1021 HydrophobicContact CB-CB 3.82Å; D1018-E1021 CarbonylContact O-C 3.56Å; D1018-E1021 VanDerWaalsContact O-CA 3.27Å; D1018-E1021 WeakPolarHBondContact O-CA 3.39Å; D1018-E1021 VanDerWaalsContact O-CB 3.23Å; D1018-E1021 WeakPolarHBondContact O-CB 3.47Å; D1018-E1021 PolarHBondContact O-N 3.33Å; D1018-E1021 PolarHBondContact OD2-N 2.87Å; D1018-I1022 PolarHBondContact O-N 3.3Å; D1018-R1024 IonicContact OD2-CZ 3.24Å; D1018-R1024 IonicContact OD2-NH1 3.04Å; D1018-R1024 PolarHBondContact OD2-NH1 3.23Å; D1018-R1024 IonicContact OD2-NH2 2.65Å; D1018-R1024 PolarHBondContact OD2-NH2 2.79Å
1019P60.2Low54.8Low105 Ų105116.7 Ų116.768%0.68259%0.587SS**Hα-helixtrans-60.9-25.2-176.321.8-32.4000111.7V1017 E1021 I1022 Q1023V1017-P1019 VanDerWaalsContact O-N 3.13Å; P1019-E1021 VanDerWaalsContact C-N 3.33Å; P1019-I1022 PolarHBondContact O-N 2.92Å; P1019-Q1023 VanDerWaalsContact O-CB 3.31Å; P1019-Q1023 WeakPolarHBondContact O-CB 3.39Å; P1019-Q1023 PolarHBondContact O-N 2.8Å
1020A59.1Low57.2Low43 Ų43112.9 Ų112.936%0.35557%0.569SS.*Hα-helixtrans-74.5-20.517100000113.1D1018 R1024D1018-A1020 PolarHBondContact O-N 3.2Å; D1018-A1020 VanDerWaalsContact OD1-CB 3.3Å; D1018-A1020 WeakPolarHBondContact OD1-CB 3.45Å; D1018-A1020 PolarHBondContact OD1-N 3.27Å; A1020-R1024 VanDerWaalsContact C-CZ 3.46Å; A1020-R1024 VanDerWaalsContact CB-NH1 3.28Å; A1020-R1024 VanDerWaalsContact O-CB 3.29Å; A1020-R1024 WeakPolarHBondContact O-CB 3.33Å; A1020-R1024 WeakPolarHBondContact O-CG 3.44Å; A1020-R1024 PolarHBondContact O-N 2.84Å; A1020-R1024 PolarHBondContact O-NE 3.17Å; A1020-R1024 PolarHBondContact O-NH1 3.21Å
1021E71.9Confident59.5Low46 Ų46113.9 Ų113.922%0.21556%0.563CS.*Hα-helixtrans-79.3-39.1169.4-176.657.6-16400111.9V1017 D1018 P1019 Q1023 R1024 R1025V1017-E1021 HydrophobicContact CG1-CB 4.38Å; V1017-E1021 HydrophobicContact CG1-CG 4.35Å; D1018-E1021 HydrophobicContact CB-CB 3.82Å; D1018-E1021 CarbonylContact O-C 3.56Å; D1018-E1021 VanDerWaalsContact O-CA 3.27Å; D1018-E1021 WeakPolarHBondContact O-CA 3.39Å; D1018-E1021 VanDerWaalsContact O-CB 3.23Å; D1018-E1021 WeakPolarHBondContact O-CB 3.47Å; D1018-E1021 PolarHBondContact O-N 3.33Å; D1018-E1021 PolarHBondContact OD2-N 2.87Å; P1019-E1021 VanDerWaalsContact C-N 3.33Å; E1021-Q1023 VanDerWaalsContact C-N 3.33Å; E1021-R1024 VanDerWaalsContact CB-NH2 3.28Å; E1021-R1024 PolarHBondContact O-N 3.07Å; E1021-R1024 IonicContact OE2-CZ 2.62Å; E1021-R1024 VanDerWaalsContact OE2-CZ 3.23Å; E1021-R1024 IonicContact OE2-NE 3.94Å; E1021-R1024 PolarHBondContact OE2-NE 2.79Å; E1021-R1024 IonicContact OE2-NH2 2.69Å; E1021-R1024 PolarHBondContact OE2-NH2 3.34Å; E1021-R1025 VanDerWaalsContact O-CG 3.29Å; E1021-R1025 WeakPolarHBondContact O-CG 3.43Å; E1021-R1025 PolarHBondContact O-N 3.1Å; E1021-R1025 IonicContact OE1-CZ 2.71Å; E1021-R1025 IonicContact OE1-NE 3.66Å; E1021-R1025 PolarHBondContact OE1-NE 3.38Å; E1021-R1025 IonicContact OE1-NH2 3.75Å; E1021-R1025 PolarHBondContact OE1-NH2 3.28Å
1022I67.1Low61.3Low89 Ų89116 Ų11646%0.45655%0.554SS.*Hα-helixtrans-58.7-49.4167.9-55.9-179.5000108.9V1017 D1018 P1019 R1024 R1025 K1026V1017-I1022 HydrophobicContact CB-CD1 4.23Å; V1017-I1022 HydrophobicContact CB-CG1 4.08Å; V1017-I1022 HydrophobicContact CG1-CD1 4.32Å; V1017-I1022 HydrophobicContact CG1-CG1 3.61Å; V1017-I1022 WeakPolarHBondContact O-CD1 3.19Å; D1018-I1022 PolarHBondContact O-N 3.3Å; P1019-I1022 PolarHBondContact O-N 2.92Å; I1022-R1024 PolarHBondContact O-N 2.89Å; I1022-R1025 WeakPolarHBondContact O-CA 3.05Å; I1022-R1025 WeakPolarHBondContact O-CB 3.42Å; I1022-R1025 PolarHBondContact O-N 3.22Å; I1022-K1026 PolarHBondContact O-N 3.41Å
1023Q66Low63Low104 Ų104112.4 Ų112.449%0.48654%0.537SS..Hα-helixtrans-56.2-50.7175-16369.521.600111P1019 E1021 R1025 K1026 D1027P1019-Q1023 VanDerWaalsContact O-CB 3.31Å; P1019-Q1023 WeakPolarHBondContact O-CB 3.39Å; P1019-Q1023 PolarHBondContact O-N 2.8Å; E1021-Q1023 VanDerWaalsContact C-N 3.33Å; Q1023-R1025 PolarHBondContact O-N 2.96Å; Q1023-K1026 PolarHBondContact O-N 2.82Å; Q1023-D1027 VanDerWaalsContact O-CB 3.26Å; Q1023-D1027 WeakPolarHBondContact O-CB 3.27Å; Q1023-D1027 PolarHBondContact O-N 3.23Å
1024R68.3Low65.2Low113 Ų113110.3 Ų110.343%0.42652%0.521SS..Hα-helixtrans-59.8-16.4175.9-78.7179.3-50.4-98.212.3114.8D1018 A1020 E1021 I1022 R1028D1018-R1024 IonicContact OD2-CZ 3.24Å; D1018-R1024 IonicContact OD2-NH1 3.04Å; D1018-R1024 PolarHBondContact OD2-NH1 3.23Å; D1018-R1024 IonicContact OD2-NH2 2.65Å; D1018-R1024 PolarHBondContact OD2-NH2 2.79Å; A1020-R1024 VanDerWaalsContact C-CZ 3.46Å; A1020-R1024 VanDerWaalsContact CB-NH1 3.28Å; A1020-R1024 VanDerWaalsContact O-CB 3.29Å; A1020-R1024 WeakPolarHBondContact O-CB 3.33Å; A1020-R1024 WeakPolarHBondContact O-CG 3.44Å; A1020-R1024 PolarHBondContact O-N 2.84Å; A1020-R1024 PolarHBondContact O-NE 3.17Å; A1020-R1024 PolarHBondContact O-NH1 3.21Å; E1021-R1024 VanDerWaalsContact CB-NH2 3.28Å; E1021-R1024 PolarHBondContact O-N 3.07Å; E1021-R1024 IonicContact OE2-CZ 2.62Å; E1021-R1024 VanDerWaalsContact OE2-CZ 3.23Å; E1021-R1024 IonicContact OE2-NE 3.94Å; E1021-R1024 PolarHBondContact OE2-NE 2.79Å; E1021-R1024 IonicContact OE2-NH2 2.69Å; E1021-R1024 PolarHBondContact OE2-NH2 3.34Å; I1022-R1024 PolarHBondContact O-N 2.89Å; R1024-R1028 WeakPolarHBondContact O-CB 3.45Å
1025R68.7Low67Low129 Ų129106.5 Ų106.549%0.48751%0.506SS..Hα-helixtrans-88-45.5171.5-69.7165.4-168.3174.25.9110.8E1021 I1022 Q1023 R1028 L1029E1021-R1025 VanDerWaalsContact O-CG 3.29Å; E1021-R1025 WeakPolarHBondContact O-CG 3.43Å; E1021-R1025 PolarHBondContact O-N 3.1Å; E1021-R1025 IonicContact OE1-CZ 2.71Å; E1021-R1025 IonicContact OE1-NE 3.66Å; E1021-R1025 PolarHBondContact OE1-NE 3.38Å; E1021-R1025 IonicContact OE1-NH2 3.75Å; E1021-R1025 PolarHBondContact OE1-NH2 3.28Å; I1022-R1025 WeakPolarHBondContact O-CA 3.05Å; I1022-R1025 WeakPolarHBondContact O-CB 3.42Å; I1022-R1025 PolarHBondContact O-N 3.22Å; Q1023-R1025 PolarHBondContact O-N 2.96Å; R1025-R1028 PolarHBondContact O-N 3.18Å; R1025-R1028 VanDerWaalsContact O-N 3.15Å; R1025-L1029 WeakPolarHBondContact O-CB 3.42Å; R1025-L1029 PolarHBondContact O-N 3.13Å
1026K76.3Confident68.6Low144 Ų144107.3 Ų107.363%0.62650%0.5SS*.Hα-helixtrans-56.5-54.8171.9-164.4170.8-178.5176.10110.7I1022 Q1023 R1028 L1029 E1030I1022-K1026 PolarHBondContact O-N 3.41Å; Q1023-K1026 PolarHBondContact O-N 2.82Å; K1026-R1028 PolarHBondContact O-N 2.92Å; K1026-L1029 PolarHBondContact O-N 3.32Å; K1026-L1029 VanDerWaalsContact O-N 3.12Å; K1026-E1030 VanDerWaalsContact O-CB 3.22Å; K1026-E1030 WeakPolarHBondContact O-CB 3.4Å; K1026-E1030 PolarHBondContact O-N 2.99Å
1027D75.5Confident70.2Confident44 Ų44104.1 Ų104.124%0.23548%0.479CS..Hα-helixtrans-49.9-29.7173-105.977.3000114.3Q1023 R1031Q1023-D1027 VanDerWaalsContact O-CB 3.26Å; Q1023-D1027 WeakPolarHBondContact O-CB 3.27Å; Q1023-D1027 PolarHBondContact O-N 3.23Å; D1027-R1031 VanDerWaalsContact CB-NH1 3.31Å; D1027-R1031 WeakPolarHBondContact O-CB 3.47Å; D1027-R1031 VanDerWaalsContact O-CG 3.26Å; D1027-R1031 WeakPolarHBondContact O-CG 3.35Å; D1027-R1031 PolarHBondContact O-N 3.43Å; D1027-R1031 PolarHBondContact O-NH1 2.86Å; D1027-R1031 IonicContact OD2-CZ 2.64Å; D1027-R1031 IonicContact OD2-NH1 3.6Å; D1027-R1031 PolarHBondContact OD2-NH1 3.49Å; D1027-R1031 IonicContact OD2-NH2 3.9Å; D1027-R1031 PolarHBondContact OD2-NH2 3.4Å
1028R79Confident70.7Confident147 Ų147105.4 Ų105.456%0.55548%0.483SS*.Hα-helixtrans-87.8-44.2-179.2-171.6-175.9-50.8161.812.9111.5R1024 R1025 K1026 R1031 E1032R1024-R1028 WeakPolarHBondContact O-CB 3.45Å; R1025-R1028 PolarHBondContact O-N 3.18Å; R1025-R1028 VanDerWaalsContact O-N 3.15Å; K1026-R1028 PolarHBondContact O-N 2.92Å; R1028-R1031 PolarHBondContact O-N 3.33Å; R1028-E1032 PolarHBondContact O-N 3.43Å
1029L70.8Confident71.1Confident114 Ų114105.9 Ų105.960%0.59749%0.488SS*.Hα-helixtrans-64.3-45.6178.4-152.3166.9000109.4R1025 K1026 R1031 E1032 Q1033R1025-L1029 WeakPolarHBondContact O-CB 3.42Å; R1025-L1029 PolarHBondContact O-N 3.13Å; K1026-L1029 PolarHBondContact O-N 3.32Å; K1026-L1029 VanDerWaalsContact O-N 3.12Å; L1029-R1031 PolarHBondContact O-N 3.08Å; L1029-E1032 CarbonylContact O-C 3.6Å; L1029-E1032 PolarHBondContact O-N 2.84Å; L1029-Q1033 VanDerWaalsContact O-CB 3.25Å; L1029-Q1033 WeakPolarHBondContact O-CB 3.48Å; L1029-Q1033 PolarHBondContact O-N 2.92Å
1030E81.8Confident71.3Confident112 Ų112104.8 Ų104.852%0.52347%0.474SS..Hα-helixtrans-58.4-45.4173-175-177-170.100112.4K1026 Q1033 W1034K1026-E1030 VanDerWaalsContact O-CB 3.22Å; K1026-E1030 WeakPolarHBondContact O-CB 3.4Å; K1026-E1030 PolarHBondContact O-N 2.99Å; E1030-Q1033 PolarHBondContact O-N 3.25Å; E1030-W1034 WeakPolarHBondContact O-CB 3.33Å; E1030-W1034 PolarHBondContact O-N 2.91Å
1031R75.7Confident71.5Confident148 Ų148108.6 Ų108.656%0.55849%0.485SS*.Hα-helixtrans-67.1-35.7175.1-77.1-174.3-166.387.73.1113.3D1027 R1028 L1029 Q1033 L1035D1027-R1031 VanDerWaalsContact CB-NH1 3.31Å; D1027-R1031 WeakPolarHBondContact O-CB 3.47Å; D1027-R1031 VanDerWaalsContact O-CG 3.26Å; D1027-R1031 WeakPolarHBondContact O-CG 3.35Å; D1027-R1031 PolarHBondContact O-N 3.43Å; D1027-R1031 PolarHBondContact O-NH1 2.86Å; D1027-R1031 IonicContact OD2-CZ 2.64Å; D1027-R1031 IonicContact OD2-NH1 3.6Å; D1027-R1031 PolarHBondContact OD2-NH1 3.49Å; D1027-R1031 IonicContact OD2-NH2 3.9Å; D1027-R1031 PolarHBondContact OD2-NH2 3.4Å; R1028-R1031 PolarHBondContact O-N 3.33Å; L1029-R1031 PolarHBondContact O-N 3.08Å; R1031-Q1033 VanDerWaalsContact C-N 3.34Å; R1031-L1035 VanDerWaalsContact O-CB 3.28Å; R1031-L1035 WeakPolarHBondContact O-CB 3.17Å; R1031-L1035 WeakPolarHBondContact O-CG 3.3Å; R1031-L1035 PolarHBondContact O-N 3.25Å
1032E68.8Low70.9Confident117 Ų117112.8 Ų112.855%0.54750%0.502SS..Hα-helixtrans-69-33.2171.3-77.4-158.7143.900112.2R1028 L1029 R1036R1028-E1032 PolarHBondContact O-N 3.43Å; L1029-E1032 CarbonylContact O-C 3.6Å; L1029-E1032 PolarHBondContact O-N 2.84Å; E1032-R1036 VanDerWaalsContact O-CB 3.23Å; E1032-R1036 WeakPolarHBondContact O-CB 3.27Å; E1032-R1036 PolarHBondContact O-N 2.95Å
1033Q70.9Confident70.1Confident110 Ų110113 Ų11351%0.51451%0.507SS..Hα-helixtrans-71-49.4177.6-167.1165.928.200110.5L1029 E1030 R1031 L1035 R1036 E1037L1029-Q1033 VanDerWaalsContact O-CB 3.25Å; L1029-Q1033 WeakPolarHBondContact O-CB 3.48Å; L1029-Q1033 PolarHBondContact O-N 2.92Å; E1030-Q1033 PolarHBondContact O-N 3.25Å; R1031-Q1033 VanDerWaalsContact C-N 3.34Å; Q1033-L1035 VanDerWaalsContact C-N 3.33Å; Q1033-L1035 PolarHBondContact O-N 3.09Å; Q1033-R1036 CarbonylContact O-C 3.58Å; Q1033-R1036 WeakPolarHBondContact O-CA 3.41Å; Q1033-R1036 WeakPolarHBondContact O-CB 3.26Å; Q1033-R1036 PolarHBondContact O-N 3Å; Q1033-E1037 WeakPolarHBondContact O-CG 3.28Å; Q1033-E1037 PolarHBondContact O-N 2.78Å
1034W81.2Confident69.5Low153 Ų153117.1 Ų117.158%0.5852%0.519SS*.Hα-helixtrans-59.3-40171.9-174.889.4000112.3E1030 R1036 Q1038E1030-W1034 WeakPolarHBondContact O-CB 3.33Å; E1030-W1034 PolarHBondContact O-N 2.91Å; W1034-R1036 VanDerWaalsContact C-N 3.34Å; W1034-R1036 PolarHBondContact O-N 3.13Å; W1034-Q1038 HydrophobicContact CD2-CG 3.78Å; W1034-Q1038 HydrophobicContact CE3-CG 3.88Å; W1034-Q1038 HydrophobicContact CG-CG 4.5Å; W1034-Q1038 HydrophobicContact CH2-CG 3.84Å; W1034-Q1038 HydrophobicContact CZ2-CG 3.72Å; W1034-Q1038 HydrophobicContact CZ3-CG 3.91Å; W1034-Q1038 WeakPolarHBondContact O-CB 3.18Å; W1034-Q1038 WeakPolarHBondContact O-CG 3.47Å; W1034-Q1038 PolarHBondContact O-N 3.37Å
1035L73Confident68.6Low105 Ų105121 Ų12155%0.5554%0.539SS..Hα-helixtrans-63.2-39.5172.6-87.6164.8000112.2R1031 Q1033 Q1038 T1039R1031-L1035 VanDerWaalsContact O-CB 3.28Å; R1031-L1035 WeakPolarHBondContact O-CB 3.17Å; R1031-L1035 WeakPolarHBondContact O-CG 3.3Å; R1031-L1035 PolarHBondContact O-N 3.25Å; Q1033-L1035 VanDerWaalsContact C-N 3.33Å; Q1033-L1035 PolarHBondContact O-N 3.09Å; L1035-Q1038 PolarHBondContact O-N 3.38Å; L1035-T1039 PolarHBondContact O-N 3.37Å; L1035-T1039 PolarHBondContact O-OG1 2.95Å
1036R74Confident67.5Low145 Ų145117.6 Ų117.655%0.54754%0.544SS..Hα-helixtrans-68.9-46.4178.3-166.6-179.8-53.9-97.3-2.9111.2E1032 Q1033 W1034 Q1038 T1039 E1040E1032-R1036 VanDerWaalsContact O-CB 3.23Å; E1032-R1036 WeakPolarHBondContact O-CB 3.27Å; E1032-R1036 PolarHBondContact O-N 2.95Å; Q1033-R1036 CarbonylContact O-C 3.58Å; Q1033-R1036 WeakPolarHBondContact O-CA 3.41Å; Q1033-R1036 WeakPolarHBondContact O-CB 3.26Å; Q1033-R1036 PolarHBondContact O-N 3Å; W1034-R1036 VanDerWaalsContact C-N 3.34Å; W1034-R1036 PolarHBondContact O-N 3.13Å; R1036-Q1038 VanDerWaalsContact C-N 3.32Å; R1036-Q1038 PolarHBondContact O-N 3.39Å; R1036-T1039 WeakPolarHBondContact CA-OG1 3.47Å; R1036-T1039 CarbonylContact O-C 3.57Å; R1036-T1039 WeakPolarHBondContact O-CA 3.46Å; R1036-T1039 PolarHBondContact O-N 2.69Å; R1036-T1039 PolarHBondContact O-OG1 3.2Å; R1036-E1040 PolarHBondContact O-N 3.21Å
1037E75.6Confident65.5Low109 Ų109119 Ų11951%0.50955%0.552SS.*Hα-helixtrans-60.5-40170.6-71.5-169.4148.900111.9Q1033 T1039 E1040 Q1041Q1033-E1037 WeakPolarHBondContact O-CG 3.28Å; Q1033-E1037 PolarHBondContact O-N 2.78Å; E1037-T1039 PolarHBondContact O-N 3.36Å; E1037-E1040 CarbonylContact O-C 3.59Å; E1037-E1040 PolarHBondContact O-N 3.44Å; E1037-E1040 VanDerWaalsContact O-N 3.14Å; E1037-Q1041 WeakPolarHBondContact O-CB 3.43Å; E1037-Q1041 WeakPolarHBondContact O-CG 3.43Å; E1037-Q1041 PolarHBondContact O-N 3.19Å
1038Q65.6Low63.6Low62 Ų62125.7 Ų125.729%0.2958%0.582SS.*Hα-helixtrans-65.8-23173.2-79.4-67.4-35.200113W1034 L1035 R1036 K1042W1034-Q1038 HydrophobicContact CD2-CG 3.78Å; W1034-Q1038 HydrophobicContact CE3-CG 3.88Å; W1034-Q1038 HydrophobicContact CG-CG 4.5Å; W1034-Q1038 HydrophobicContact CH2-CG 3.84Å; W1034-Q1038 HydrophobicContact CZ2-CG 3.72Å; W1034-Q1038 HydrophobicContact CZ3-CG 3.91Å; W1034-Q1038 WeakPolarHBondContact O-CB 3.18Å; W1034-Q1038 WeakPolarHBondContact O-CG 3.47Å; W1034-Q1038 PolarHBondContact O-N 3.37Å; L1035-Q1038 PolarHBondContact O-N 3.38Å; R1036-Q1038 VanDerWaalsContact C-N 3.32Å; R1036-Q1038 PolarHBondContact O-N 3.39Å; Q1038-K1042 VanDerWaalsContact O-CD 3.3Å; Q1038-K1042 WeakPolarHBondContact O-CD 3.44Å; Q1038-K1042 WeakPolarHBondContact O-CG 3.37Å; Q1038-K1042 PolarHBondContact O-NZ 2.83Å
1039T64.4Low62.4Low84 Ų84123.3 Ų123.352%0.51559%0.586SS.*Hα-helixtrans-82.4-38.3166.753.70000112.6L1035 R1036 E1037 K1042 T1043L1035-T1039 PolarHBondContact O-N 3.37Å; L1035-T1039 PolarHBondContact O-OG1 2.95Å; R1036-T1039 WeakPolarHBondContact CA-OG1 3.47Å; R1036-T1039 CarbonylContact O-C 3.57Å; R1036-T1039 WeakPolarHBondContact O-CA 3.46Å; R1036-T1039 PolarHBondContact O-N 2.69Å; R1036-T1039 PolarHBondContact O-OG1 3.2Å; E1037-T1039 PolarHBondContact O-N 3.36Å; T1039-K1042 CarbonylContact O-C 3.55Å; T1039-K1042 PolarHBondContact O-N 2.87Å; T1039-K1042 VanDerWaalsContact O-N 3.16Å; T1039-T1043 PolarHBondContact O-N 3.48Å; T1039-T1043 PolarHBondContact O-OG1 2.93Å
1040E64.4Low60.5Low82 Ų82125.9 Ų125.938%0.38360%0.6SS.*Hα-helixtrans-72.7-36.3179.9-73.7-172-148.800112.9R1036 E1037 K1042 T1043 R1044R1036-E1040 PolarHBondContact O-N 3.21Å; E1037-E1040 CarbonylContact O-C 3.59Å; E1037-E1040 PolarHBondContact O-N 3.44Å; E1037-E1040 VanDerWaalsContact O-N 3.14Å; E1040-K1042 VanDerWaalsContact C-N 3.27Å; E1040-K1042 PolarHBondContact O-N 3.47Å; E1040-T1043 WeakPolarHBondContact CA-OG1 3.37Å; E1040-T1043 PolarHBondContact O-N 3.39Å; E1040-T1043 PolarHBondContact O-OG1 2.8Å; E1040-T1043 VanDerWaalsContact O-OG1 3.05Å; E1040-R1044 VanDerWaalsContact O-CB 3.26Å; E1040-R1044 WeakPolarHBondContact O-CB 3.49Å; E1040-R1044 WeakPolarHBondContact O-CG 3.28Å; E1040-R1044 PolarHBondContact O-N 2.81Å; E1040-R1044 IonicContact OE2-NH2 2.73Å
1041Q62.9Low58.3Low123 Ų123123.8 Ų123.858%0.57561%0.609SS**Hα-helixtrans-57.2-42.6165.7-72.4-94-100110.2E1037 K1045E1037-Q1041 WeakPolarHBondContact O-CB 3.43Å; E1037-Q1041 WeakPolarHBondContact O-CG 3.43Å; E1037-Q1041 PolarHBondContact O-N 3.19Å; Q1041-K1045 WeakPolarHBondContact O-CB 3.25Å; Q1041-K1045 PolarHBondContact O-N 3.3Å
1042K59.5Low56.4Low134 Ų134125.9 Ų125.958%0.58363%0.625SS**Hα-helixtrans-74.4-22.8179.2-70.6-179.9-168.684.50113.7Q1038 T1039 E1040Q1038-K1042 VanDerWaalsContact O-CD 3.3Å; Q1038-K1042 WeakPolarHBondContact O-CD 3.44Å; Q1038-K1042 WeakPolarHBondContact O-CG 3.37Å; Q1038-K1042 PolarHBondContact O-NZ 2.83Å; T1039-K1042 CarbonylContact O-C 3.55Å; T1039-K1042 PolarHBondContact O-N 2.87Å; T1039-K1042 VanDerWaalsContact O-N 3.16Å; E1040-K1042 VanDerWaalsContact C-N 3.27Å; E1040-K1042 PolarHBondContact O-N 3.47Å
1043T49.6Very low55.2Low93 Ų93127.8 Ų127.857%0.57164%0.639SS**Hα-helixtrans-85.2-41.2169.654.80000112.5T1039 E1040 K1045 G1046T1039-T1043 PolarHBondContact O-N 3.48Å; T1039-T1043 PolarHBondContact O-OG1 2.93Å; E1040-T1043 WeakPolarHBondContact CA-OG1 3.37Å; E1040-T1043 PolarHBondContact O-N 3.39Å; E1040-T1043 PolarHBondContact O-OG1 2.8Å; E1040-T1043 VanDerWaalsContact O-OG1 3.05Å; T1043-K1045 VanDerWaalsContact C-N 3.3Å; T1043-K1045 PolarHBondContact O-N 3.36Å; T1043-G1046 WeakPolarHBondContact O-CA 3.41Å; T1043-G1046 PolarHBondContact O-N 3.46Å
1044R53.4Low53.9Low191 Ų191131.2 Ų131.272%0.72166%0.655SS**Hα-helixtrans-64.6-33.1176.2-71.4178.4-165.8-150.29.8112.2E1040 G1046E1040-R1044 VanDerWaalsContact O-CB 3.26Å; E1040-R1044 WeakPolarHBondContact O-CB 3.49Å; E1040-R1044 WeakPolarHBondContact O-CG 3.28Å; E1040-R1044 PolarHBondContact O-N 2.81Å; E1040-R1044 IonicContact OE2-NH2 2.73Å; R1044-G1046 PolarHBondContact O-N 2.9Å
1045K48.7Very low52.1Low196 Ų196132.5 Ų132.585%0.85267%0.667SS**THydrogen-bonded Turntrans-84.723.1172.1-150.6169.1-170.4172.40112.7Q1041 T1043Q1041-K1045 WeakPolarHBondContact O-CB 3.25Å; Q1041-K1045 PolarHBondContact O-N 3.3Å; T1043-K1045 VanDerWaalsContact C-N 3.3Å; T1043-K1045 PolarHBondContact O-N 3.36Å
1046G45.9Very low50.2Low57 Ų57135.5 Ų135.559%0.58868%0.682SS**THydrogen-bonded Turntrans-132.56.8-17400000115.8T1043 R1044T1043-G1046 WeakPolarHBondContact O-CA 3.41Å; T1043-G1046 PolarHBondContact O-N 3.46Å; R1044-G1046 PolarHBondContact O-N 2.9Å
1047E34.4Very low48.3Very low172 Ų172131.3 Ų131.380%0.80468%0.684SS**SBendtrans-99.693.5175.4-74-171.6114.300112.2
1048E35.9Very low46.7Very low185 Ų185134.1 Ų134.186%0.86470%0.703SS**  trans58.2153.7156.2-65.8-160.1152.600121.2
1049P53.3Low45.8Very low97 Ų97134.6 Ų134.663%0.6371%0.705SS**  cis-136.7-179-38.439.3-23.6000113.5
1050D30.7Very low44.9Very low168 Ų168138.7 Ų138.790%0.89872%0.723SS**  trans63.1144.4163.8-63.4-23000119.4
1051G35.8Very low44.9Very low68 Ų68138.3 Ų138.370%0.70173%0.73SS**  trans130.7102.216600000116
1052E35.3Very low44.8Very low192 Ų192140.2 Ų140.290%0.89774%0.739SS**  trans14.8141.4151.858.3-153174.300123.7
1053D44.3Very low45.2Very low158 Ų158141.5 Ų141.585%0.84575%0.745SS**  trans-72.1132.7172.7-46.2-106.5000112.7
1054E44Very low45.8Very low181 Ų181141.7 Ų141.785%0.84674%0.74SS**  trans-165.3107.1137.9-112.2165.8-151.900115.8
1055Q42.8Very low46.4Very low181 Ų181136.7 Ų136.785%0.84672%0.724SS**  trans48.592.2130.2-164.4164.1-0.400122.7
1056I32.7Very low47.1Very low168 Ų168132.7 Ų132.786%0.86271%0.711SS**  trans-138.6138.8138.9-73.1102.4000105.6
1057G34.9Very low48.1Very low57 Ų57131.9 Ų131.959%0.58870%0.699SS**  cis116.9106.114.200000109.1
1058D42.4Very low49.4Very low168 Ų168129.3 Ų129.390%0.89869%0.685SS**  cis-142.3166.10.4-99.9-61.7000112.6
1059E45.2Very low50.7Low72 Ų72127.8 Ų127.834%0.33668%0.676SS.*  trans-116.976-163.9-65.2-16512900116.7K1065 K1068E1059-K1065 VanDerWaalsContact CB-CE 3.48Å; E1059-K1065 WeakPolarHBondContact O-CE 3.35Å; E1059-K1065 PolarHBondContact O-NZ 2.91Å; E1059-K1065 WeakPolarHBondContact OE2-CE 3.32Å; E1059-K1065 IonicContact OE2-NZ 2.86Å; E1059-K1068 IonicContact OE1-NZ 3.18Å; E1059-K1068 PolarHBondContact OE1-NZ 3.24Å
1060D47.1Very low50.8Low169 Ų169129.3 Ų129.390%0.90468%0.678SS**  trans-90.47.6175.4-104.611.3000116.2Q1062D1060-Q1062 PolarHBondContact O-N 2.9Å
1061S64.1Low52Low74 Ų74125.9 Ų125.952%0.51766%0.663SS.*  trans-91.399.8167.5-88.80000112.9F1063 M1064S1061-F1063 PolarHBondContact O-N 3.14Å; S1061-M1064 PolarHBondContact O-N 3.42Å
1062Q61.3Low52.7Low164 Ų164126.1 Ų126.177%0.76666%0.659SS**Hα-helixtrans-53.2-27.1172.7-59-17514.800113.1D1060 K1065 L1066D1060-Q1062 PolarHBondContact O-N 2.9Å; Q1062-K1065 PolarHBondContact O-N 3.32Å; Q1062-L1066 PolarHBondContact O-N 2.95Å; Q1062-L1066 VanDerWaalsContact O-N 3.15Å
1063F66.6Low53.5Low161 Ų161127.5 Ų127.571%0.70666%0.656SS**Hα-helixtrans-58.9-46.2173.6-178.5-103.9000113.3S1061 K1065 L1066 A1067S1061-F1063 PolarHBondContact O-N 3.14Å; F1063-K1065 VanDerWaalsContact C-N 3.35Å; F1063-K1065 PolarHBondContact O-N 3.45Å; F1063-L1066 WeakPolarHBondContact O-CB 3.36Å; F1063-L1066 PolarHBondContact O-N 2.73Å; F1063-L1066 VanDerWaalsContact O-N 3.1Å; F1063-A1067 PolarHBondContact O-N 3.1Å
1064M63.3Low53.7Low97 Ų97125.4 Ų125.448%0.47865%0.648SS.*Hα-helixtrans-67-38.3179.6-69.2-64.9-85.200111.4S1061 L1066 A1067 K1068S1061-M1064 PolarHBondContact O-N 3.42Å; M1064-L1066 PolarHBondContact O-N 2.78Å; M1064-A1067 PolarHBondContact O-N 2.83Å; M1064-K1068 WeakPolarHBondContact O-CG 3.35Å; M1064-K1068 PolarHBondContact O-N 2.83Å
1065K65.2Low53.5Low85 Ų85124 Ų12437%0.3765%0.646SS.*Hα-helixtrans-64.3-22.4173.4-72.1168.6173.6165.40113E1059 Q1062 F1063 K1069E1059-K1065 VanDerWaalsContact CB-CE 3.48Å; E1059-K1065 WeakPolarHBondContact O-CE 3.35Å; E1059-K1065 PolarHBondContact O-NZ 2.91Å; E1059-K1065 WeakPolarHBondContact OE2-CE 3.32Å; E1059-K1065 IonicContact OE2-NZ 2.86Å; Q1062-K1065 PolarHBondContact O-N 3.32Å; F1063-K1065 VanDerWaalsContact C-N 3.35Å; F1063-K1065 PolarHBondContact O-N 3.45Å; K1065-K1069 VanDerWaalsContact O-CD 3.28Å; K1065-K1069 WeakPolarHBondContact O-CD 3.37Å; K1065-K1069 VanDerWaalsContact O-CG 3.28Å; K1065-K1069 WeakPolarHBondContact O-CG 3.47Å
1066L63.4Low53.5Low112 Ų112124.3 Ų124.359%0.58665%0.648SS**Hα-helixtrans-85.1-43.3170.4-81.6163.3000112.5Q1062 F1063 M1064 K1068 K1069 L1070Q1062-L1066 PolarHBondContact O-N 2.95Å; Q1062-L1066 VanDerWaalsContact O-N 3.15Å; F1063-L1066 WeakPolarHBondContact O-CB 3.36Å; F1063-L1066 PolarHBondContact O-N 2.73Å; F1063-L1066 VanDerWaalsContact O-N 3.1Å; M1064-L1066 PolarHBondContact O-N 2.78Å; L1066-K1068 PolarHBondContact O-N 2.76Å; L1066-K1069 PolarHBondContact O-N 2.85Å; L1066-K1069 VanDerWaalsContact O-N 3.14Å; L1066-L1070 PolarHBondContact O-N 2.9Å; L1066-L1070 VanDerWaalsContact O-N 3.13Å
1067A66.5Low53.6Low41 Ų41127.4 Ų127.434%0.33965%0.648SS.*Hα-helixtrans-57.9-49.9177.400000111.9F1063 M1064 K1069 L1070 T1071F1063-A1067 PolarHBondContact O-N 3.1Å; M1064-A1067 PolarHBondContact O-N 2.83Å; A1067-K1069 PolarHBondContact O-N 2.72Å; A1067-L1070 PolarHBondContact O-N 2.79Å; A1067-L1070 VanDerWaalsContact O-N 3.08Å; A1067-T1071 PolarHBondContact O-N 2.92Å
1068K61.9Low53.5Low118 Ų118134.3 Ų134.351%0.51366%0.662SS.*Hα-helixtrans-58.8-31.5175.8-68.3176.9178.1-178.60112.8E1059 M1064 L1066 T1071 A1072E1059-K1068 IonicContact OE1-NZ 3.18Å; E1059-K1068 PolarHBondContact OE1-NZ 3.24Å; M1064-K1068 WeakPolarHBondContact O-CG 3.35Å; M1064-K1068 PolarHBondContact O-N 2.83Å; L1066-K1068 PolarHBondContact O-N 2.76Å; K1068-T1071 PolarHBondContact O-OG1 2.99Å; K1068-A1072 WeakPolarHBondContact O-CB 3.31Å; K1068-A1072 PolarHBondContact O-N 3.3Å
1069K63.9Low52.9Low153 Ų153134 Ų13467%0.66566%0.655SS**Hα-helixtrans-78.8-20.9177.4-76.8176.6-175.2169.80114.1K1065 L1066 A1067K1065-K1069 VanDerWaalsContact O-CD 3.28Å; K1065-K1069 WeakPolarHBondContact O-CD 3.37Å; K1065-K1069 VanDerWaalsContact O-CG 3.28Å; K1065-K1069 WeakPolarHBondContact O-CG 3.47Å; L1066-K1069 PolarHBondContact O-N 2.85Å; L1066-K1069 VanDerWaalsContact O-N 3.14Å; A1067-K1069 PolarHBondContact O-N 2.72Å
1070L55.8Low53.4Low128 Ų128135.8 Ų135.867%0.6767%0.673SS**Hα-helixtrans-80.2-41.1174.9-73168.1000111.4L1066 A1067 R1073L1066-L1070 PolarHBondContact O-N 2.9Å; L1066-L1070 VanDerWaalsContact O-N 3.13Å; A1067-L1070 PolarHBondContact O-N 2.79Å; A1067-L1070 VanDerWaalsContact O-N 3.08Å; L1070-R1073 PolarHBondContact O-N 3.13Å
1071T56.1Low52.9Low96 Ų96133.6 Ų133.659%0.58967%0.668SS**Hα-helixtrans-70-40.8177.156.10000112.7A1067 K1068 R1073 T1074A1067-T1071 PolarHBondContact O-N 2.92Å; K1068-T1071 PolarHBondContact O-OG1 2.99Å; T1071-R1073 PolarHBondContact O-N 2.85Å; T1071-R1073 VanDerWaalsContact O-N 3.12Å; T1071-T1074 PolarHBondContact O-N 2.93Å; T1071-T1074 PolarHBondContact O-OG1 3.15Å; T1071-T1074 VanDerWaalsContact O-OG1 3.06Å
1072A50.8Low51.4Low74 Ų74138.9 Ų138.961%0.61269%0.685SS**THydrogen-bonded Turntrans-61.8-21.3177.500000114.1K1068K1068-A1072 WeakPolarHBondContact O-CB 3.31Å; K1068-A1072 PolarHBondContact O-N 3.3Å
1073R51.3Low50.2Low221 Ų221136.1 Ų136.183%0.83468%0.684SS**THydrogen-bonded Turntrans-92.3-8-172.6-160.3171.4-180-1730.2114.5L1070 T1071L1070-R1073 PolarHBondContact O-N 3.13Å; T1071-R1073 PolarHBondContact O-N 2.85Å; T1071-R1073 VanDerWaalsContact O-N 3.12Å
1074T48.6Very low48.6Very low113 Ų113134.5 Ų134.569%0.69368%0.682SS**SBendtrans-89.9-17.6-179.553.90000114.1T1071T1071-T1074 PolarHBondContact O-N 2.93Å; T1071-T1074 PolarHBondContact O-OG1 3.15Å; T1071-T1074 VanDerWaalsContact O-OG1 3.06Å
1075L39.8Very low47.5Very low153 Ų153136 Ų13680%0.80169%0.688SS**SBendtrans-92.2-6-172.5-68.4175.8000115.8
1076Q42.9Very low46Very low187 Ų187141.1 Ų141.187%0.87471%0.705SS**  trans-111.379.3178.1-70-154.68.400113.9
1077R35.2Very low44.7Very low232 Ų232141.3 Ų141.388%0.87571%0.711SS**  trans-158.594.8155.4-169171.1172.2-174.3-5.3114.1
1078K33.1Very low43.1Very low202 Ų202144.2 Ų144.288%0.87874%0.735SS**  trans-149.4108.3152.5-146.3166.2-174.8175.20112.5
1079E29.7Very low41.6Very low162 Ų162143 Ų14376%0.75775%0.747SS**  trans-4.9167.3149.6-78.6176.7152.600122.2
1080P55.4Low40.3Very low110 Ų110139.9 Ų139.971%0.71475%0.75SS**  cis-132.8-160.3-12.936-13.8000112.1
1081P35Very low39.3Very low123 Ų123141.2 Ų141.280%0.79976%0.757SS**  -141.6179.976.337.4-18.3000115.7
1082Q34.6Very low38.3Very low184 Ų184143.2 Ų143.286%0.8676%0.764SS**  trans-76.1177.2178.1-57.5164-65.100111.3
1083S35.4Very low38.1Very low107 Ų107144.5 Ų144.575%0.74877%0.766SS**  cis-159.6174.528.252.60000109
1084D33.6Very low37.3Very low126 Ų126143.1 Ų143.167%0.67477%0.766SS**  cis-150.9-169.817.8-148.7-2000107.2
1085Q38.7Very low36.5Very low128 Ų128146.7 Ų146.760%0.59878%0.776SS**  cis-161178.79-144.9165.182.800105.8
1086R34.6Very low36.7Very low193 Ų193148.8 Ų148.873%0.72878%0.778SS**  cis-157.9142.69.8-165.5165.7-177.8124.7-6.3109.8
1087T35.4Very low36.4Very low117 Ų117145.9 Ų145.972%0.71878%0.776SS**  trans30.7110.7159.858.60000119.6
1088A32.8Very low36.4Very low101 Ų101140 Ų14084%0.83577%0.769SS**  79.514369.500000114.3
1089A31.7Very low36.6Very low93 Ų93139.1 Ų139.177%0.76977%0.769SS**  cis-153.6164.914.700000115.4
1090A35.2Very low37Very low88 Ų88137 Ų13773%0.72777%0.769SS**  trans73.5123.7143.700000122.7
1091L35.7Very low36Very low155 Ų155138.3 Ų138.381%0.81278%0.775SS**  trans61.2124.2147.7-56.7172.4000117.4
1092N34.7Very low36.3Very low138 Ų138138.5 Ų138.574%0.73877%0.765SS**  cis-160.3172.537.1-98.3-43.2000111.7
1093P47.3Very low36.7Very low101 Ų101136 Ų13666%0.65676%0.762SS**  trans-71.4177.7168.932.3-36.7000113.2
1094F34.2Very low37.2Very low192 Ų192140.4 Ų140.484%0.84276%0.762SS**  trans73.393.9-177.7-61.6-83.8000117.1
1095Q31Very low38.1Very low189 Ų189145.9 Ų145.988%0.88377%0.774SS**  trans-159.894.8137.4-113.7153.399.600111.5
1096K44Very low39.2Very low197 Ų197143.3 Ų143.386%0.85778%0.781SS**  trans-71.7143.4147.3-70.4177.6178.9172.40106.5
1097P37.5Very low40.7Very low126 Ų126137.1 Ų137.182%0.81877%0.767SS**  -117.8134.1119.832.4-32.7000111
1098S34.9Very low42.4Very low107 Ų107137.6 Ų137.675%0.74877%0.765SS**  trans-70.1137.3175.651.50000112.4
1099Q37.3Very low44.1Very low184 Ų184139.7 Ų139.786%0.8676%0.761SS**  trans-137.8143.3134.6-73.8-155.71.300109.8
1100P37.4Very low45.9Very low119 Ų119139.4 Ų139.477%0.77375%0.753SS**  trans-75.4130.1-179.130-33.7000111.2Q1102P1100-Q1102 PolarHBondContact O-N 2.9Å
1101V34Very low48.1Very low136 Ų136139.4 Ų139.482%0.82474%0.738SS**  trans-70.3102.9167.4177.70000108V1103V1101-V1103 PolarHBondContact O-N 3.43Å
1102Q41.4Very low50.3Low128 Ų128135.9 Ų135.960%0.59873%0.725SS**  trans-61.2120.3166.6-71-172.7-14.400108.7P1100 R1104P1100-Q1102 PolarHBondContact O-N 2.9Å; Q1102-R1104 HydrophobicContact CB-CG 4.04Å; Q1102-R1104 PolarHBondContact O-N 2.85Å
1103V43.3Very low52Low132 Ų132132.9 Ų132.980%0.872%0.72SS**  trans-71.276169.1-175.90000108.7V1101 R1105V1101-V1103 PolarHBondContact O-N 3.43Å; V1103-R1105 PolarHBondContact O-N 2.79Å
1104R47.3Very low53.6Low198 Ų198131.3 Ų131.375%0.74772%0.715SS**  trans-72.693.2174.8-73-164.1170.9-137.4-5.4109.1Q1102 G1106Q1102-R1104 HydrophobicContact CB-CG 4.04Å; Q1102-R1104 PolarHBondContact O-N 2.85Å; R1104-G1106 PolarHBondContact O-N 3.49Å; R1104-G1106 VanDerWaalsContact O-N 3.11Å
1105R51.8Low55.7Low242 Ų242124.9 Ų124.991%0.91369%0.691SS**  trans-51.9114.4173.2-72.8-177.8170.6-175-3.3110.8V1103 S1107V1103-R1105 PolarHBondContact O-N 2.79Å; R1105-S1107 PolarHBondContact O-N 3.44Å
1106G60.6Low58Low73 Ų73118.6 Ų118.675%0.75366%0.663SS**  trans63.230.1142.800000119.4R1104 L1108R1104-G1106 PolarHBondContact O-N 3.49Å; R1104-G1106 VanDerWaalsContact O-N 3.11Å; G1106-L1108 PolarHBondContact O-N 3.4Å
1107S66.6Low59.5Low64 Ų64116.4 Ų116.445%0.44866%0.656SS.*  trans-72.1122.6166.4-171.10000110R1105 L1109 S1110R1105-S1107 PolarHBondContact O-N 3.44Å; S1107-L1109 PolarHBondContact O-N 3.34Å; S1107-L1109 VanDerWaalsContact O-N 3.17Å; S1107-S1110 PolarHBondContact O-N 3.02Å; S1107-S1110 PolarHBondContact O-OG 3.17Å
1108L71.9Confident61.5Low126 Ų126117.9 Ų117.966%0.6665%0.65SS**G310 helixtrans-55-35.7176.9-71.5167.2000111.9G1106 S1110 Q1111 L1116G1106-L1108 PolarHBondContact O-N 3.4Å; L1108-S1110 PolarHBondContact O-N 3.41Å; L1108-Q1111 WeakPolarHBondContact O-CB 3.43Å; L1108-Q1111 WeakPolarHBondContact O-CG 3.48Å; L1108-Q1111 PolarHBondContact O-N 3.17Å; L1108-Q1111 VanDerWaalsContact O-N 3.14Å; L1108-L1116 WeakPolarHBondContact O-CD2 3.43Å
1109L68.7Low63.3Low146 Ų146116.7 Ų116.776%0.76464%0.635SS**G310 helixtrans-70.9-9.9-179.4-71.9161.5000114.7S1107S1107-L1109 PolarHBondContact O-N 3.34Å; S1107-L1109 VanDerWaalsContact O-N 3.17Å
1110S69.3Low64.7Low86 Ų86110.4 Ų110.460%0.60161%0.614SS**G310 helixtrans-91.51.717167.30000113.7S1107 L1108S1107-S1110 PolarHBondContact O-N 3.02Å; S1107-S1110 PolarHBondContact O-OG 3.17Å; L1108-S1110 PolarHBondContact O-N 3.41Å
1111Q81.7Confident66.2Low88 Ų88106.8 Ų106.841%0.41160%0.598SS.*SBendtrans-71146171.5-66-63.3-22.500110.6L1108 V1115 L1116L1108-Q1111 WeakPolarHBondContact O-CB 3.43Å; L1108-Q1111 WeakPolarHBondContact O-CG 3.48Å; L1108-Q1111 PolarHBondContact O-N 3.17Å; L1108-Q1111 VanDerWaalsContact O-N 3.14Å; Q1111-V1115 HydrophobicContact CB-CB 4.32Å; Q1111-V1115 HydrophobicContact CB-CG1 4.11Å; Q1111-V1115 HydrophobicContact CG-CG1 4.44Å; Q1111-L1116 HydrophobicContact CB-CG 4.21Å; Q1111-L1116 WeakPolarHBondContact O-CD1 3.31Å
1112P82.4Confident67.6Low81 Ų81107.2 Ų107.253%0.52660%0.595SS.*  trans-61.8147.4-179.725.8-33.8000111A1114 V1115 L1116P1112-A1114 PolarHBondContact O-N 3.41Å; P1112-V1115 HydrophobicContact CG-CB 4.26Å; P1112-V1115 HydrophobicContact CG-CG2 3.88Å; P1112-V1115 WeakPolarHBondContact O-CA 3.43Å; P1112-V1115 WeakPolarHBondContact O-CB 3.47Å; P1112-V1115 PolarHBondContact O-N 3.16Å; P1112-L1116 PolarHBondContact O-N 3.35Å
1113A68.9Low68.5Low76 Ų76104.6 Ų104.663%0.62859%0.591SS**Hα-helixtrans-52.9-34.4-17000000114.3V1115 L1116 Q1117A1113-V1115 VanDerWaalsContact C-N 3.32Å; A1113-V1115 PolarHBondContact O-N 3.42Å; A1113-L1116 PolarHBondContact O-N 3.33Å; A1113-Q1117 VanDerWaalsContact O-CB 3.25Å; A1113-Q1117 WeakPolarHBondContact O-CB 3.42Å; A1113-Q1117 PolarHBondContact O-N 3.44Å
1114A81.8Confident69Low67 Ų67106.6 Ų106.655%0.55459%0.591SS**Hα-helixtrans-67.7-26176.300000114.2P1112 K1118P1112-A1114 PolarHBondContact O-N 3.41Å; A1114-K1118 VanDerWaalsContact O-CG 3.32Å; A1114-K1118 WeakPolarHBondContact O-CG 3.4Å; A1114-K1118 PolarHBondContact O-N 3.45Å
1115V77.1Confident69.1Low58 Ų5899.4 Ų99.435%0.35258%0.579SS.*Hα-helixtrans-79.9-44.7172.3173.10000109.8Q1111 P1112 A1113 Q1117 K1118 L1119Q1111-V1115 HydrophobicContact CB-CB 4.32Å; Q1111-V1115 HydrophobicContact CB-CG1 4.11Å; Q1111-V1115 HydrophobicContact CG-CG1 4.44Å; P1112-V1115 HydrophobicContact CG-CB 4.26Å; P1112-V1115 HydrophobicContact CG-CG2 3.88Å; P1112-V1115 WeakPolarHBondContact O-CA 3.43Å; P1112-V1115 WeakPolarHBondContact O-CB 3.47Å; P1112-V1115 PolarHBondContact O-N 3.16Å; A1113-V1115 VanDerWaalsContact C-N 3.32Å; A1113-V1115 PolarHBondContact O-N 3.42Å; V1115-Q1117 VanDerWaalsContact C-N 3.32Å; V1115-Q1117 PolarHBondContact O-N 3.48Å; V1115-K1118 PolarHBondContact O-N 3.42Å; V1115-L1119 HydrophobicContact CG1-CD1 4.01Å; V1115-L1119 HydrophobicContact CG1-CG 4.47Å; V1115-L1119 WeakPolarHBondContact O-CG 3.42Å; V1115-L1119 PolarHBondContact O-N 3.43Å
1116L79.4Confident69.1Low56 Ų5693.3 Ų93.329%0.29357%0.565SS.*Hα-helixtrans-58.6-41.6173.6-78.9172.1000112.5L1108 Q1111 P1112 A1113 L1119 A1120L1108-L1116 WeakPolarHBondContact O-CD2 3.43Å; Q1111-L1116 HydrophobicContact CB-CG 4.21Å; Q1111-L1116 WeakPolarHBondContact O-CD1 3.31Å; P1112-L1116 PolarHBondContact O-N 3.35Å; A1113-L1116 PolarHBondContact O-N 3.33Å; L1116-L1119 PolarHBondContact O-N 3.26Å; L1116-A1120 WeakPolarHBondContact O-CB 3.22Å; L1116-A1120 PolarHBondContact O-N 3.33Å
1117Q76.8Confident68.9Low151 Ų15195.9 Ų95.971%0.70657%0.568SS**Hα-helixtrans-69.2-32.7178-169.1172.2900112.4A1113 V1115 G1121A1113-Q1117 VanDerWaalsContact O-CB 3.25Å; A1113-Q1117 WeakPolarHBondContact O-CB 3.42Å; A1113-Q1117 PolarHBondContact O-N 3.44Å; V1115-Q1117 VanDerWaalsContact C-N 3.32Å; V1115-Q1117 PolarHBondContact O-N 3.48Å; Q1117-G1121 PolarHBondContact O-N 3.08Å
1118K78.1Confident68.1Low157 Ų157100.1 Ų100.168%0.68359%0.585SS**Hα-helixtrans-68.7-43.2170.2-78.9179.5176.1-170.40112.2A1114 V1115 A1120 G1121 L1122A1114-K1118 VanDerWaalsContact O-CG 3.32Å; A1114-K1118 WeakPolarHBondContact O-CG 3.4Å; A1114-K1118 PolarHBondContact O-N 3.45Å; V1115-K1118 PolarHBondContact O-N 3.42Å; K1118-A1120 VanDerWaalsContact C-N 3.29Å; K1118-A1120 PolarHBondContact O-N 3.04Å; K1118-G1121 PolarHBondContact O-N 3.12Å; K1118-L1122 WeakPolarHBondContact O-CG 3.44Å; K1118-L1122 PolarHBondContact O-N 2.77Å
1119L74.3Confident66.8Low83 Ų8396.9 Ų96.944%0.43558%0.576SS.*Hα-helixtrans-63.8-34.8175.2-69.3169.2000111.9V1115 L1116 L1122 S1123V1115-L1119 HydrophobicContact CG1-CD1 4.01Å; V1115-L1119 HydrophobicContact CG1-CG 4.47Å; V1115-L1119 WeakPolarHBondContact O-CG 3.42Å; V1115-L1119 PolarHBondContact O-N 3.43Å; L1116-L1119 PolarHBondContact O-N 3.26Å; L1119-L1122 PolarHBondContact O-N 3.22Å; L1119-S1123 PolarHBondContact O-N 3.15Å
1120A65.9Low65.4Low52 Ų5296.3 Ų96.343%0.4358%0.581SS.*Hα-helixtrans-66.6-44.4171.800000112.1L1116 K1118 L1122 S1123L1116-A1120 WeakPolarHBondContact O-CB 3.22Å; L1116-A1120 PolarHBondContact O-N 3.33Å; K1118-A1120 VanDerWaalsContact C-N 3.29Å; K1118-A1120 PolarHBondContact O-N 3.04Å; A1120-L1122 VanDerWaalsContact C-N 3.28Å; A1120-L1122 PolarHBondContact O-N 3.38Å; A1120-S1123 WeakPolarHBondContact O-CA 3.45Å; A1120-S1123 WeakPolarHBondContact O-CB 3.37Å; A1120-S1123 PolarHBondContact O-N 3.28Å; A1120-S1123 PolarHBondContact O-OG 3.16Å
1121G68.1Low64.4Low42 Ų42101.5 Ų101.543%0.43359%0.587SS.*Hα-helixtrans-62-32.7174.200000113.5Q1117 K1118 S1123 E1124Q1117-G1121 PolarHBondContact O-N 3.08Å; K1118-G1121 PolarHBondContact O-N 3.12Å; G1121-S1123 PolarHBondContact O-N 3.28Å; G1121-E1124 PolarHBondContact O-N 3.11Å
1122L64.6Low62.2Low146 Ų146103 Ų10376%0.76461%0.607SS**THydrogen-bonded Turntrans-73.61171.2-67.1169000113.7K1118 L1119 A1120K1118-L1122 WeakPolarHBondContact O-CG 3.44Å; K1118-L1122 PolarHBondContact O-N 2.77Å; L1119-L1122 PolarHBondContact O-N 3.22Å; A1120-L1122 VanDerWaalsContact C-N 3.28Å; A1120-L1122 PolarHBondContact O-N 3.38Å
1123S59.2Low60.5Low72 Ų72104.8 Ų104.850%0.50362%0.622SS.*THydrogen-bonded Turntrans-110.7-2176.679.20000114.4L1119 A1120 G1121 G1125L1119-S1123 PolarHBondContact O-N 3.15Å; A1120-S1123 WeakPolarHBondContact O-CA 3.45Å; A1120-S1123 WeakPolarHBondContact O-CB 3.37Å; A1120-S1123 PolarHBondContact O-N 3.28Å; A1120-S1123 PolarHBondContact O-OG 3.16Å; G1121-S1123 PolarHBondContact O-N 3.28Å; S1123-G1125 PolarHBondContact O-N 3.49Å; S1123-G1125 VanDerWaalsContact O-N 3.11Å
1124E55.4Low59.7Low174 Ų174112.6 Ų112.681%0.81364%0.635SS**SBendtrans-68.4102.6161.5-65.4-167.7135.600107.6G1121G1121-E1124 PolarHBondContact O-N 3.11Å
1125G48.2Very low58.3Low47 Ų47112.3 Ų112.349%0.48564%0.639SS.*  trans-92.3168.6-15500000116S1123S1123-G1125 PolarHBondContact O-N 3.49Å; S1123-G1125 VanDerWaalsContact O-N 3.11Å
1126N52.8Low56.5Low115 Ų115119.2 Ų119.262%0.61567%0.665SS**  trans-45.4123.2167.5173.90.1000111.1L1128 A1129N1126-L1128 PolarHBondContact O-N 3.26Å; N1126-L1128 VanDerWaalsContact O-N 3.07Å; N1126-L1128 PolarHBondContact OD1-N 3.33Å; N1126-A1129 PolarHBondContact O-N 3.19Å
1127P56.3Low54.7Low126 Ų126123 Ų12382%0.81869%0.685SS**THydrogen-bonded Turntrans-68.7-3.8-175.127.8-35.9000115.2
1128L48.4Very low52.7Low154 Ų154125.3 Ų125.381%0.80669%0.692SS**THydrogen-bonded Turntrans-108.79-178.5-61.7177.9000114.8N1126N1126-L1128 PolarHBondContact O-N 3.26Å; N1126-L1128 VanDerWaalsContact O-N 3.07Å; N1126-L1128 PolarHBondContact OD1-N 3.33Å
1129A45.4Very low50.8Low58 Ų58124.9 Ų124.948%0.47969%0.693SS.*SBendtrans-95.4123.2179.800000113.1N1126 R1131N1126-A1129 PolarHBondContact O-N 3.19Å; A1129-R1131 PolarHBondContact O-N 2.89Å
1130P40.3Very low49.1Very low133 Ų133127 Ų12786%0.86471%0.709SS**  trans-69.8110.1-179.9-19.832.8000113.5S1132P1130-S1132 PolarHBondContact O-N 3.45Å
1131R46.7Very low47.7Very low195 Ų195132.1 Ų132.174%0.73673%0.729SS**  trans-91.888.1179-60.8-177.781.6138.7-0111.3A1129 S1133A1129-R1131 PolarHBondContact O-N 2.89Å; R1131-S1133 PolarHBondContact O-N 3.49Å
1132S35.9Very low46.6Very low119 Ų119135.8 Ų135.883%0.83275%0.748SS**  trans-68115.6173.8-174.10000111.3P1130P1130-S1132 PolarHBondContact O-N 3.45Å
1133S46.3Very low45.6Very low119 Ų119134.2 Ų134.283%0.83275%0.746SS**  trans-120.779.9-178.861.50000111.6R1131R1131-S1133 PolarHBondContact O-N 3.49Å
1134R52.5Low44.1Very low240 Ų240135.3 Ų135.391%0.90675%0.746SS**  trans-119.293177.4-172.9173.8175169.8-3.7112
1135G52.9Low43.3Very low61 Ų61133.3 Ų133.363%0.62974%0.735SS**SBendtrans123.424.9138.400000121.8
1136F39.4Very low42.5Very low204 Ų204135.2 Ų135.290%0.89575%0.746SS**  trans-136.4135158.9-74.3-68.6000112
1137L41.1Very low42Very low136 Ų136134.6 Ų134.671%0.71275%0.749SS**  trans-149.480.2-171.5-151175000111.1Q1139L1137-Q1139 HydrophobicContact CD2-CB 3.83Å; L1137-Q1139 PolarHBondContact O-N 2.67Å
1138F35.5Very low41Very low198 Ų198134.7 Ų134.787%0.86875%0.747SS**  trans-87.692.1168.7-79.5-75.2000110.2T1140F1138-T1140 PolarHBondContact O-N 2.8Å
1139Q37.8Very low40.3Very low148 Ų148134 Ų13469%0.69274%0.739SS**  trans-82.295178.2-169.882.465.600110.8L1137L1137-Q1139 HydrophobicContact CD2-CB 3.83Å; L1137-Q1139 PolarHBondContact O-N 2.67Å
1140T39.6Very low39.8Very low128 Ų128141.5 Ų141.579%0.78576%0.755SS**PPolyproline II helixtrans-73.7143.416347.90000110.2F1138F1138-T1140 PolarHBondContact O-N 2.8Å
1141L36Very low39.5Very low160 Ų160139 Ų13984%0.83875%0.746SS**PPolyproline II helixtrans-90.4151.9-171.7-64.8173000112.5
1142S43.8Very low39.1Very low118 Ų118136.9 Ų136.983%0.82574%0.744SS**PPolyproline II helixtrans-71.2166.6-174.6-42.90000114.7
1143P44.1Very low39.1Very low113 Ų113136.6 Ų136.673%0.73473%0.733SS**  trans-122.7128.2137.934.9-27.1000114.7
1144D27.9Very low38.7Very low95 Ų95138.5 Ų138.551%0.50873%0.729SS.*  87.6158.8125.3-61.815.4000123.6T38T38-D1144 WeakPolarHBondContact CA-OD1 3.27Å; T38-D1144 VanDerWaalsContact CB-CG 3.44Å; T38-D1144 VanDerWaalsContact CB-OD1 3.27Å; T38-D1144 WeakPolarHBondContact CB-OD1 3.15Å; T38-D1144 WeakPolarHBondContact CB-OD2 3.34Å; T38-D1144 HydrophobicContact CG2-CB 3.78Å; T38-D1144 WeakPolarHBondContact CG2-OD1 3.15Å
1145K39.5Very low37.7Very low132 Ų132132.9 Ų132.957%0.57472%0.721SS**  trans-125179.6-170.2-49.9172.1-176.9172.10108T38T38-K1145 HydrophobicContact CG2-CG 4.44Å
1146A30.5Very low36.8Very low87 Ų87136.5 Ų136.572%0.71973%0.731SS**  cis-163.4-146.415.200000107.3
1147P41.9Very low36.5Very low103 Ų103137.3 Ų137.367%0.66973%0.728SS**  cis-138172.9-27.933.3-13000116.5
1148T36.2Very low36.3Very low127 Ų127139.7 Ų139.778%0.77973%0.733SS**  trans69.7158.3145.7410000121.5
1149E32.7Very low36.2Very low139 Ų139140.9 Ų140.965%0.6573%0.731SS**  cis-149.8144.57.1-137.2-169-174.600116.5
1150R35.8Very low35.8Very low216 Ų216137 Ų13782%0.81572%0.721SS**  trans43.5158.6142.4-76.8172.7178.8147.6-9123.1
1151A34.2Very low35.5Very low80 Ų80137.8 Ų137.866%0.66172%0.715SS**  cis-162.2-171.93300000111.7
1152Q37.9Very low35.4Very low152 Ų152135.5 Ų135.571%0.7171%0.708SS**  cis-171.1158.2-13.5-126.7-179.9108.100111.8
1153N36.1Very low34.9Very low112 Ų112136.6 Ų136.660%0.59971%0.705SS**  trans68.6152.8146.1-63.2-12.3000122.9
1154Q36.6Very low34.5Very low159 Ų159135.1 Ų135.174%0.74370%0.701SS**  cis-165.6136.5-13.5-110.8-171.170.500116.2
1155V32.9Very low34.6Very low122 Ų122137.4 Ų137.474%0.73972%0.719SS**  trans40.6148.1144.6-135.30000127.3
1156V33.4Very low34.3Very low138 Ų138135.6 Ų135.684%0.83672%0.723SS**  trans134.8163.8138-173.30000115.8
1157R33.6Very low34.9Very low221 Ų221137.4 Ų137.483%0.83473%0.727SS**  trans-128.4164.1-156.1-50.7172.9174-172.7-2.8115.8
1158K37.2Very low34.5Very low185 Ų185136.8 Ų136.880%0.80473%0.731SS**  129.8124.8127.6-91.2-179.7173.8175.80120.7
1159R32.1Very low34.7Very low223 Ų223135.2 Ų135.284%0.84273%0.731SS**  trans69.2112.8131.2-102.3-170.6-179.6-177.7-2.5124.9
1160S29.8Very low35.4Very low67 Ų67137.8 Ų137.847%0.46974%0.74SS.*  74.5117.7116.466.60000125.7
1161Q32.3Very low35.7Very low145 Ų145138.6 Ų138.668%0.67874%0.743SS**  73.5156.3128.1-65177-104.900120.6
1162V34.6Very low35.7Very low112 Ų112140.8 Ų140.868%0.67975%0.748SS**  cis-168.2-176-12.3-880000107.7
1163D33.1Very low35.4Very low141 Ų141138.2 Ų138.275%0.75475%0.746SS**  cis-162.8163.86.4-139.5-41.7000113.5
1164A35.2Very low35.5Very low81 Ų81143.5 Ų143.567%0.66976%0.757SS**  trans57.6161.7149.100000122
1165V32Very low35.2Very low143 Ų143144 Ų14487%0.86776%0.759SS**  cis-141.4161.220.6-179.50000112.2
1166S31.3Very low35.2Very low95 Ų95144.8 Ų144.866%0.66476%0.76SS**  trans-102.7179.2-177.962.80000115
1167P43.8Very low35.3Very low125 Ų125146.3 Ų146.381%0.81276%0.758SS**  -135.5139.886.317.74.4000113.6
1168A34.5Very low35.1Very low90 Ų90141.7 Ų141.774%0.74475%0.754SS**  92.7123.354.500000114
1169A40.2Very low34.8Very low94 Ų94137.8 Ų137.878%0.77776%0.756SS**  cis-148.4-111.1-5.800000113.3
1170K47.2Very low34.6Very low192 Ų192130.5 Ų130.584%0.83575%0.751SS**  cis-168.891.24.4-155171.1-159.6171.90114.9
1171R41.4Very low35.2Very low234 Ų234133.1 Ų133.188%0.88377%0.766SS**  trans77.6150.7163.9-60.3-177.6161.6-167.8-7.7119
1172T35.3Very low35.2Very low126 Ų126132.1 Ų132.177%0.77377%0.765SS**  cis-173.8167.1-12.429.40000109.6
1173C30.9Very low35.1Very low98 Ų98137.8 Ų137.866%0.66277%0.774SS**  cis175.9128.5-32.4-1720000112.1
1174R37.9Very low35.1Very low223 Ų223138.1 Ų138.184%0.84278%0.776SS**  trans67.7170.9162.7-72.7175.1178.6-144.9-2.8117.9
1175Q30.1Very low35.1Very low168 Ų168139.3 Ų139.379%0.78578%0.78SS**  cis-151.2172.614.7-158160.2-27.200114.7
1176N32.6Very low35.5Very low140 Ų140140.1 Ų140.175%0.74977%0.774SS**  trans-105.6167.1174.4-77.9-29.2000114.2
1177Q35.8Very low35.8Very low169 Ų169146.6 Ų146.679%0.7978%0.784SS**  trans92.5131.6144.2-90.9-176.257.400124.2
1178T30.7Very low35.6Very low125 Ų125146.1 Ų146.177%0.76778%0.784SS**  trans84.9146.813953.50000124.6
1179A29.4Very low36.4Very low102 Ų102148.6 Ų148.684%0.84378%0.783SS**  trans85.813816000000120.4
1180G27.6Very low36.6Very low70 Ų70153 Ų15372%0.72279%0.785SS**  trans-99.7-153.2163.800000111.4
1181P44.2Very low36.3Very low123 Ų123149.8 Ų149.880%0.79979%0.786SS**  cis-140.6174.315.844.4-27.1000117.2
1182N30.5Very low36.1Very low123 Ų123147.3 Ų147.366%0.65878%0.782SS**  trans42.6110.3137.6-17312.7000120.5
1183R34.3Very low36.1Very low231 Ų231147.8 Ų147.887%0.87278%0.78SS**  -174.6141.9115.3-102.5175.1-173.5-147.10118.2
1184N32.1Very low36.4Very low148 Ų148149 Ų14979%0.79178%0.779SS**  trans-51.2146.3174.2-39.5-20.9000117.2
1185S36.3Very low36.5Very low107 Ų107150.6 Ų150.675%0.74880%0.796SS**  174.9111.8119.3-171.90000108.9
1186Q40.3Very low36.9Very low159 Ų159149.8 Ų149.874%0.74380%0.797SS**  53.812981.9-81.2-156.6-0.600116.7
1187R35.9Very low37.1Very low232 Ų232150.3 Ų150.388%0.87580%0.799SS**  trans74.1152.9169.9-56.6167.4-179.9-173.2-3.9115
1188S39.5Very low37.1Very low115 Ų115149.2 Ų149.280%0.80480%0.8SS**  cis-138.4166.82.4-161.10000112.6
1189I52.3Low37.5Very low141 Ų141150.6 Ų150.672%0.72380%0.801SS**  trans-85.8144.8172.9-69.8164.5000110.1
1190F45.3Very low38Very low188 Ų188153.7 Ų153.783%0.82580%0.799SS**  trans51.4109.1176.5-71-60.2000118.5
1191S39.4Very low38.7Very low123 Ų123159.3 Ų159.386%0.8680%0.804SS**  trans-122109.1152580000109.4
1192F37.1Very low38.3Very low182 Ų182161.9 Ų161.980%0.79880%0.804SS**  trans-56.5171.6-177.4-101.3-107.9000117
1193L35.8Very low38.9Very low137 Ų137164.8 Ų164.872%0.71782%0.816SS**  trans92122.3155.3-65.8135.2000119.5
1194D36.6Very low39.3Very low122 Ų122159.3 Ų159.365%0.65281%0.811SS**  43.4117.2128.9-50.93.4000119.5
1195H41.3Very low40Very low258 Ų258160.4 Ų160.4100%1.19481%0.813SS**  -157.3082.7-90.9-58.7000112.4

Retrieved 1,195 of 1,195 residues in 555.6 ms (Link to these results)